==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 07-MAR-94 1CSI . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.C.USHER,S.J.REMINGTON . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 70.8 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 . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 1 0 1 2 2 2 2 1 3 1 1 0 0 0 0 1 0 1 1 0 0 0 0 1 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 . 2 1 0 1 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 1 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 3 A S 0 0 179 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.9 11.1 3.7 -35.7 2 4 A T + 0 0 40 101,-0.1 2,-0.2 4,-0.0 102,-0.0 -0.731 360.0 158.6 -89.0 138.0 11.6 2.5 -32.1 3 5 A N >> - 0 0 57 -2,-0.4 4,-1.2 1,-0.1 3,-1.0 -0.638 26.8-164.7-160.8 101.0 8.4 2.2 -30.1 4 6 A L H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.806 91.9 63.7 -58.6 -34.2 8.2 -0.1 -27.1 5 7 A K H 3> S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.913 104.2 45.7 -59.5 -36.8 4.5 0.1 -27.2 6 8 A D H <> S+ 0 0 105 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.815 111.6 52.5 -73.8 -31.2 4.4 -1.6 -30.6 7 9 A V H >X S+ 0 0 42 -4,-1.2 4,-1.7 1,-0.2 3,-0.8 0.943 109.4 47.9 -69.2 -46.9 6.9 -4.2 -29.4 8 10 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.897 102.6 65.5 -59.5 -37.3 4.7 -5.0 -26.4 9 11 A A H 3< S+ 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.818 108.7 39.3 -54.4 -31.5 1.6 -5.2 -28.8 10 12 A S H S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.860 112.0 50.9 -60.3 -34.8 -0.9 -12.2 -27.4 14 16 A K H X S+ 0 0 133 -4,-0.7 4,-2.1 -3,-0.4 -2,-0.2 0.934 112.1 45.2 -70.9 -44.5 1.8 -14.8 -27.5 15 17 A E H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.900 109.3 57.7 -64.4 -37.0 2.4 -14.8 -23.8 16 18 A Q H X S+ 0 0 91 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.915 109.5 43.5 -57.4 -44.7 -1.3 -14.9 -23.2 17 19 A A H X S+ 0 0 53 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.893 111.1 54.8 -68.7 -38.4 -1.6 -18.1 -25.2 18 20 A R H X S+ 0 0 152 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.891 111.8 43.2 -60.9 -44.5 1.4 -19.7 -23.7 19 21 A I H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 111.2 56.9 -71.9 -35.8 0.1 -19.2 -20.2 20 22 A K H X S+ 0 0 129 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.955 109.6 42.7 -60.3 -53.0 -3.4 -20.3 -21.3 21 23 A T H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.849 112.5 54.1 -62.8 -36.6 -2.3 -23.6 -22.5 22 24 A F H X S+ 0 0 131 -4,-1.5 4,-3.2 1,-0.2 -1,-0.2 0.900 109.6 47.0 -66.2 -38.9 0.0 -24.2 -19.6 23 25 A R H X S+ 0 0 174 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.730 106.0 60.6 -72.8 -24.0 -2.7 -23.6 -17.2 24 26 A Q H < S+ 0 0 127 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.947 116.0 32.6 -66.4 -48.5 -4.9 -25.9 -19.2 25 27 A Q H < S+ 0 0 129 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.897 136.9 18.5 -73.9 -43.1 -2.5 -28.7 -18.6 26 28 A H H >< S+ 0 0 96 -4,-3.2 3,-2.0 -5,-0.1 -3,-0.2 0.212 77.1 115.2-119.7 14.9 -1.2 -27.8 -15.1 27 29 A G T 3< S+ 0 0 54 -4,-1.7 -1,-0.1 1,-0.3 -3,-0.1 0.811 87.7 44.9 -55.8 -28.2 -3.5 -25.5 -13.3 28 30 A N T 3 S+ 0 0 138 -5,-0.2 -1,-0.3 -4,-0.2 2,-0.3 0.423 84.4 117.8 -97.4 5.5 -4.4 -28.1 -10.7 29 31 A T < - 0 0 69 -3,-2.0 2,-0.4 1,-0.1 -3,-0.1 -0.493 67.0-124.0 -73.3 133.9 -0.8 -29.2 -10.2 30 32 A A + 0 0 88 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.669 27.8 179.4 -83.9 133.6 0.3 -28.6 -6.7 31 33 A V - 0 0 113 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.490 63.9 -28.3-106.6 -10.0 3.5 -26.5 -6.2 32 34 A G - 0 0 53 14,-0.0 2,-0.3 15,-0.0 -1,-0.3 -0.979 59.4-101.6 175.5 178.7 3.6 -26.6 -2.4 33 35 A Q - 0 0 172 -2,-0.3 2,-0.5 -3,-0.1 14,-0.1 -0.815 21.5-129.2-123.2 162.6 1.9 -26.8 0.8 34 36 A I - 0 0 121 -2,-0.3 2,-0.3 12,-0.1 3,-0.0 -0.945 26.0-171.2-112.1 130.6 0.8 -24.3 3.5 35 37 A T >> - 0 0 74 -2,-0.5 4,-1.5 1,-0.1 3,-0.5 -0.779 37.1-108.5-117.9 166.9 1.7 -25.0 7.1 36 38 A V H 3> S+ 0 0 70 -2,-0.3 4,-1.9 1,-0.3 3,-0.4 0.917 118.8 54.0 -54.5 -46.7 0.7 -23.3 10.3 37 39 A D H 3> S+ 0 0 132 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.812 104.2 54.9 -62.1 -31.9 4.1 -21.8 10.7 38 40 A M H <4>S+ 0 0 41 -3,-0.5 5,-1.9 2,-0.2 6,-0.5 0.863 108.0 49.1 -71.3 -32.3 4.0 -20.3 7.3 39 41 A S H ><5S+ 0 0 77 -4,-1.5 3,-0.6 -3,-0.4 -2,-0.2 0.839 116.9 40.5 -70.8 -38.4 0.7 -18.5 8.1 40 42 A Y H 3<5S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 110.7 64.8 -80.2 -22.7 2.1 -17.1 11.4 41 43 A G T ><5S- 0 0 31 -4,-1.4 3,-1.0 -5,-0.3 -1,-0.2 0.011 119.1 -95.7 -94.1 29.5 5.4 -16.4 9.7 42 44 A G T < 5S- 0 0 54 -3,-0.6 -3,-0.2 1,-0.2 3,-0.2 0.861 77.6 -65.9 62.3 34.5 4.6 -13.7 7.1 43 45 A M T > -A 61 0A 59 4,-2.0 4,-2.4 -2,-0.5 263,-0.1 -0.847 18.8-135.3 -97.0 132.2 17.5 -17.4 -6.1 58 60 A P T 4 S+ 0 0 51 0, 0.0 264,-3.3 0, 0.0 265,-0.6 0.786 102.9 29.2 -57.6 -28.9 18.3 -17.7 -2.4 59 61 A D T 4 S+ 0 0 87 262,-0.2 262,-0.0 263,-0.2 -3,-0.0 0.796 129.2 35.8 -98.2 -39.8 21.9 -18.7 -3.1 60 62 A E T 4 S- 0 0 137 1,-0.2 2,-0.1 265,-0.0 261,-0.0 0.650 97.7-140.1 -92.5 -18.0 22.7 -16.9 -6.3 61 63 A G E < -A 57 0A 1 -4,-2.4 -4,-2.0 264,-0.1 -1,-0.2 -0.441 48.4 -1.8 90.3-169.4 20.7 -13.7 -5.8 62 64 A I E -A 56 0A 3 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.291 47.6-168.8 -70.3 142.8 18.7 -11.8 -8.3 63 65 A R E -AB 55 68A 90 -8,-1.8 -8,-2.2 5,-0.2 2,-0.8 -0.994 12.7-149.7-126.8 127.7 18.2 -12.5 -12.0 64 66 A F E > S-AB 54 67A 1 3,-2.8 3,-2.1 -2,-0.4 -10,-0.2 -0.905 83.9 -29.2 -99.7 105.4 16.5 -9.9 -14.3 65 67 A R T 3 S- 0 0 62 -12,-1.2 -1,-0.2 -2,-0.8 -11,-0.1 0.894 132.0 -43.4 54.7 36.5 14.7 -11.8 -17.0 66 68 A G T 3 S+ 0 0 47 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.379 117.1 111.4 92.9 -9.5 17.3 -14.4 -16.6 67 69 A F E < -B 64 0A 53 -3,-2.1 -3,-2.8 4,-0.0 -1,-0.2 -0.830 55.8-140.6-107.6 137.1 20.4 -12.2 -16.3 68 70 A S E > -B 63 0A 19 -2,-0.5 4,-2.9 -5,-0.2 5,-0.2 -0.356 33.8 -99.8 -82.0 168.7 22.5 -11.7 -13.3 69 71 A I H > S+ 0 0 7 -7,-0.5 4,-3.0 1,-0.2 5,-0.3 0.931 122.9 52.5 -52.5 -51.8 24.0 -8.4 -12.3 70 72 A P H > S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.896 110.9 49.8 -54.2 -39.9 27.4 -9.2 -13.7 71 73 A E H > S+ 0 0 72 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.910 109.8 50.4 -66.5 -43.6 25.8 -10.1 -17.0 72 74 A C H X S+ 0 0 3 -4,-2.9 4,-3.2 2,-0.2 -1,-0.2 0.951 108.3 52.7 -59.1 -44.9 23.8 -6.9 -17.0 73 75 A Q H < S+ 0 0 37 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.907 116.5 40.4 -54.4 -40.2 26.9 -4.9 -16.4 74 76 A K H < S+ 0 0 164 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.941 123.7 35.4 -77.0 -44.0 28.5 -6.6 -19.3 75 77 A L H < S+ 0 0 78 -4,-3.4 -2,-0.2 -5,-0.1 -3,-0.2 0.768 92.8 90.9 -84.4 -31.7 25.5 -6.6 -21.7 76 78 A L S < S- 0 0 1 -4,-3.2 25,-0.1 -5,-0.3 23,-0.0 -0.456 84.2 -98.8 -74.8 145.7 23.6 -3.4 -21.1 77 79 A P - 0 0 18 0, 0.0 9,-2.1 0, 0.0 2,-0.2 -0.216 40.6-152.3 -56.4 140.0 24.3 -0.2 -23.1 78 80 A K B -C 85 0B 76 7,-0.2 3,-0.1 4,-0.1 2,-0.1 -0.663 24.5 -91.0-110.5 170.7 26.5 2.3 -21.2 79 81 A A > - 0 0 14 5,-0.7 3,-3.3 -2,-0.2 2,-0.4 -0.390 62.7 -77.5 -75.0 160.0 26.8 6.0 -21.5 80 82 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.439 125.1 4.1 -62.9 118.6 29.3 7.4 -24.0 81 83 A G T 3 S+ 0 0 93 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.455 111.9 129.3 85.4 1.8 32.6 7.0 -22.2 82 84 A G < - 0 0 21 -3,-3.3 -1,-0.3 1,-0.1 -4,-0.1 -0.364 48.7-165.7 -88.3 168.0 30.8 5.2 -19.4 83 85 A E + 0 0 126 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.623 67.8 79.6-118.9 -32.5 31.3 2.0 -17.5 84 86 A E S S- 0 0 10 1,-0.1 -5,-0.7 -10,-0.0 -2,-0.1 -0.607 85.0-104.8 -88.5 144.3 27.9 1.6 -15.6 85 87 A P B -C 78 0B 3 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.251 31.5-118.9 -64.6 145.4 24.7 0.4 -17.2 86 88 A L >> - 0 0 12 -9,-2.1 4,-1.2 1,-0.2 3,-1.1 -0.692 13.1-137.0 -85.5 132.0 22.1 2.8 -18.0 87 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.810 100.5 69.5 -59.2 -24.1 18.9 2.2 -16.2 88 90 A E H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.891 100.1 48.0 -58.4 -39.8 16.9 2.9 -19.4 89 91 A G H <> S+ 0 0 1 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.862 107.5 54.1 -69.8 -36.0 18.3 -0.3 -20.8 90 92 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.908 106.5 53.0 -65.0 -38.4 17.4 -2.3 -17.8 91 93 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.950 108.2 51.2 -61.4 -43.5 13.8 -1.0 -18.1 92 94 A W H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 6,-0.5 0.947 110.4 48.3 -56.8 -46.0 13.8 -2.3 -21.7 93 95 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.905 111.4 49.3 -61.9 -42.7 15.0 -5.7 -20.7 94 96 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.9 42.3 -64.7 -42.9 12.5 -6.1 -17.9 95 97 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 130.7 22.9 -71.9 -43.3 9.6 -5.1 -20.0 96 98 A T H < S- 0 0 7 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.644 91.8-127.3 -98.6 -20.9 10.5 -7.1 -23.2 97 99 A G S < S+ 0 0 32 -4,-2.9 2,-0.4 -5,-0.4 -4,-0.2 0.436 77.6 106.2 84.6 -1.3 12.8 -9.8 -21.9 98 100 A Q S S- 0 0 97 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.3 -0.918 77.2-114.9-119.6 147.0 15.3 -8.7 -24.5 99 101 A I - 0 0 54 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.507 42.2-131.0 -70.6 129.2 18.6 -6.9 -24.3 100 102 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.396 7.1-117.8 -86.7 165.3 18.2 -3.6 -26.0 101 103 A T > - 0 0 57 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.417 31.9-110.1 -88.0 167.5 20.3 -1.9 -28.6 102 104 A P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 122.1 56.3 -69.6 -25.4 21.8 1.5 -27.8 103 105 A E H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.887 107.8 47.4 -69.2 -38.7 19.4 3.0 -30.3 104 106 A Q H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 110.7 53.4 -66.9 -36.2 16.6 1.5 -28.3 105 107 A V H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 105.4 52.4 -65.6 -45.8 18.1 2.8 -25.1 106 108 A S H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.829 104.5 56.3 -63.6 -25.5 18.4 6.3 -26.4 107 109 A W H X S+ 0 0 31 -4,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.936 105.3 51.4 -71.0 -38.3 14.7 6.4 -27.4 108 110 A V H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.3 0.959 109.4 51.8 -60.5 -44.2 13.8 5.5 -23.8 109 111 A S H X S+ 0 0 14 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 112.7 44.0 -58.6 -43.8 15.9 8.4 -22.7 110 112 A K H X S+ 0 0 72 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.927 112.2 52.8 -67.2 -42.0 14.2 10.8 -25.0 111 113 A E H X S+ 0 0 28 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.936 111.2 46.8 -58.2 -48.1 10.8 9.5 -24.2 112 114 A W H X S+ 0 0 2 -4,-3.2 4,-0.6 -5,-0.2 -1,-0.2 0.868 111.8 50.0 -66.6 -32.1 11.4 10.0 -20.5 113 115 A A H >< S+ 0 0 15 -4,-1.9 3,-0.8 -5,-0.3 -2,-0.2 0.930 110.7 52.4 -70.3 -36.4 12.8 13.5 -21.1 114 116 A K H 3< S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 109.4 46.6 -66.7 -32.1 9.8 14.4 -23.1 115 117 A R H 3< S+ 0 0 44 -4,-1.5 2,-0.8 -5,-0.2 -1,-0.2 0.492 82.0 111.7 -91.8 -0.6 7.2 13.3 -20.5 116 118 A A << + 0 0 21 -3,-0.8 2,-0.3 -4,-0.6 85,-0.2 -0.632 37.6 122.4 -80.2 103.0 8.8 15.0 -17.5 117 119 A A - 0 0 62 -2,-0.8 62,-0.1 58,-0.2 61,-0.0 -0.905 45.5-144.7-162.5 129.8 6.6 17.8 -16.3 118 120 A L - 0 0 40 -2,-0.3 2,-0.2 64,-0.0 -2,-0.0 -0.831 18.8-125.5-103.1 139.8 4.9 18.5 -13.0 119 121 A P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.475 27.7-114.6 -78.3 152.1 1.5 20.0 -12.6 120 122 A S H 3> S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.814 110.0 63.1 -60.4 -34.8 1.4 23.1 -10.4 121 123 A H H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 107.2 47.2 -59.5 -33.2 -0.8 21.7 -7.6 122 124 A V H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 5,-0.3 0.929 110.7 50.3 -72.6 -43.9 2.0 19.2 -7.0 123 125 A V H X S+ 0 0 40 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.939 111.0 49.7 -57.8 -45.1 4.7 21.8 -7.1 124 126 A T H X S+ 0 0 73 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.914 108.3 52.4 -60.4 -43.7 2.8 23.9 -4.6 125 127 A M H X S+ 0 0 46 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.918 110.9 47.0 -59.2 -46.5 2.2 21.1 -2.2 126 128 A L H >< S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.949 110.7 52.2 -61.0 -47.9 6.0 20.2 -2.1 127 129 A D H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.9 48.5 -61.0 -26.3 6.9 23.8 -1.6 128 130 A N H 3< S+ 0 0 132 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.566 85.1 111.8 -95.2 -3.1 4.5 24.1 1.3 129 131 A F S << S- 0 0 46 -3,-1.2 2,-0.1 -4,-0.7 -3,-0.0 -0.386 71.5-114.1 -68.8 141.8 5.6 20.9 3.1 130 132 A P > - 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