==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-OCT-12 4HD1 . COMPND 2 MOLECULE: SQUALENE SYNTHASE HPNC; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP. . AUTHOR C.CHANG,J.BEARDEN,H.LI,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 1 2 1 0 0 0 1 1 0 1 1 1 1 1 0 0 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 N > 0 0 142 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 85.1 39.2 90.5 51.3 2 0 A A G > + 0 0 6 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.766 360.0 70.7 -51.3 -33.7 41.9 88.6 49.4 3 1 A X G > S+ 0 0 16 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.802 87.8 63.5 -60.0 -32.0 40.5 89.7 46.0 4 2 A G G < S+ 0 0 41 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.616 92.7 63.3 -67.6 -14.7 41.6 93.3 46.5 5 3 A S G < S+ 0 0 57 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.413 91.9 78.2 -92.4 0.8 45.3 92.4 46.5 6 4 A V S < S- 0 0 5 -3,-1.3 5,-0.1 -4,-0.2 32,-0.0 -0.754 99.1 -85.2-104.4 152.4 45.1 91.1 42.9 7 5 A P >> - 0 0 41 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.331 39.5-115.1 -61.8 143.1 45.2 93.4 39.9 8 6 A V G >4 S+ 0 0 101 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.805 113.5 54.5 -45.5 -44.5 41.8 94.8 38.8 9 7 A E G 34 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.744 111.4 45.9 -65.5 -25.1 41.7 93.0 35.4 10 8 A L G <> S+ 0 0 27 -3,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.467 83.1 93.4 -99.0 -3.5 42.3 89.6 37.1 11 9 A R H S+ 0 0 47 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.935 110.0 47.9 -62.0 -48.2 37.1 88.1 38.0 13 11 A D H > S+ 0 0 21 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.867 113.2 47.5 -63.5 -38.8 39.3 85.1 37.2 14 12 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.813 106.5 58.5 -71.7 -31.1 40.5 84.8 40.8 15 13 A E H X S+ 0 0 79 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.886 105.0 50.7 -61.3 -39.9 36.8 85.0 41.9 16 14 A V H X S+ 0 0 34 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.961 110.3 48.8 -60.0 -52.0 36.2 81.9 39.7 17 15 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.887 111.3 50.7 -55.1 -41.3 39.1 80.1 41.4 18 16 A R H X S+ 0 0 73 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.909 112.4 45.8 -63.7 -45.8 37.7 81.1 44.8 19 17 A R H X S+ 0 0 141 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.935 113.7 48.0 -59.8 -51.5 34.2 79.8 43.9 20 18 A L H X S+ 0 0 42 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.891 115.8 46.5 -58.9 -40.9 35.6 76.5 42.5 21 19 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.962 112.3 46.5 -67.2 -54.1 37.8 76.1 45.5 22 20 A R H < S+ 0 0 136 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.848 115.3 46.7 -61.3 -35.6 35.2 76.9 48.2 23 21 A S H < S+ 0 0 90 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.822 118.2 41.4 -75.4 -31.7 32.5 74.7 46.6 24 22 A H H < S+ 0 0 55 -4,-1.5 2,-0.8 -5,-0.2 -2,-0.2 0.862 112.0 53.0 -84.3 -39.8 34.9 71.7 46.1 25 23 A Y >< - 0 0 47 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.851 63.5-169.5-105.8 103.3 36.9 71.8 49.4 26 24 A E T 3 S+ 0 0 169 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.784 86.7 44.9 -60.5 -30.5 34.5 71.7 52.4 27 25 A N T >> S+ 0 0 108 1,-0.2 4,-1.8 2,-0.1 3,-1.7 0.132 72.5 121.5-102.4 21.7 37.2 72.5 54.9 28 26 A F H <> + 0 0 8 -3,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.777 65.6 65.1 -63.3 -29.1 39.0 75.2 53.0 29 27 A S H 34 S+ 0 0 87 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.808 108.8 41.9 -59.0 -31.4 38.6 77.8 55.8 30 28 A V H X4 S+ 0 0 70 -3,-1.7 3,-1.5 2,-0.2 4,-0.3 0.920 110.8 54.8 -78.0 -50.0 40.8 75.6 58.0 31 29 A V H 3< S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.746 123.2 29.3 -53.7 -26.8 43.3 74.9 55.2 32 30 A S T >< S+ 0 0 11 -4,-1.7 3,-1.1 -5,-0.2 -1,-0.3 0.195 82.7 115.1-122.0 13.1 43.7 78.7 54.7 33 31 A L T < S+ 0 0 117 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.655 87.5 37.8 -59.2 -18.4 43.0 80.0 58.2 34 32 A F T 3 S+ 0 0 35 -4,-0.3 -1,-0.3 -3,-0.1 206,-0.1 0.479 86.7 113.5-111.6 -8.5 46.6 81.2 58.5 35 33 A V < - 0 0 1 -3,-1.1 5,-0.1 1,-0.1 -3,-0.1 -0.558 69.3-120.1 -77.0 124.7 47.2 82.5 54.9 36 34 A P >> - 0 0 18 0, 0.0 3,-2.1 0, 0.0 4,-1.7 -0.246 26.1-110.1 -59.8 151.3 47.7 86.3 54.7 37 35 A R T 34 S+ 0 0 150 1,-0.3 -32,-0.2 2,-0.2 -2,-0.1 0.835 117.8 56.0 -52.9 -38.4 45.2 88.2 52.5 38 36 A H T 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.624 113.6 41.1 -74.3 -10.1 47.8 88.9 49.9 39 37 A L T X> S+ 0 0 18 -3,-2.1 4,-1.2 2,-0.1 3,-1.1 0.647 91.2 83.6-107.2 -21.1 48.6 85.2 49.5 40 38 A R H >X S+ 0 0 59 -4,-1.7 4,-2.2 1,-0.2 3,-0.6 0.860 83.5 62.0 -50.0 -41.9 45.1 83.7 49.7 41 39 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.853 102.4 52.1 -56.2 -33.4 44.5 84.3 45.9 42 40 A H H <> S+ 0 0 10 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.819 106.3 53.2 -72.8 -30.6 47.4 82.0 45.1 43 41 A F H < S+ 0 0 6 -4,-1.4 3,-0.8 2,-0.2 -1,-0.2 0.898 111.4 53.2 -69.6 -41.0 42.6 67.2 38.1 54 52 A D H >< S+ 0 0 87 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.920 102.0 58.7 -56.6 -47.0 40.2 65.7 40.6 55 53 A D H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.708 98.2 60.6 -59.3 -23.2 37.2 66.2 38.3 56 54 A L T << S+ 0 0 20 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 -0.128 93.3 94.6 -94.3 36.5 39.0 64.0 35.7 57 55 A G S X S- 0 0 10 -3,-1.2 3,-0.7 58,-0.0 -2,-0.1 0.371 98.3 -37.0 -98.2-132.9 39.0 61.1 38.1 58 56 A D T 3 S+ 0 0 96 1,-0.2 -3,-0.1 -4,-0.1 -2,-0.0 0.814 134.8 47.2 -67.8 -34.9 36.6 58.1 38.6 59 57 A E T 3 S+ 0 0 199 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.451 85.5 113.3 -91.6 -2.2 33.4 60.0 37.8 60 58 A F < - 0 0 68 -3,-0.7 2,-0.5 2,-0.0 4,-0.2 -0.539 57.4-146.2 -74.7 131.5 34.6 61.8 34.6 61 59 A A + 0 0 89 -2,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.860 62.9 48.5 -96.8 131.3 33.0 60.7 31.3 62 60 A G S S- 0 0 53 -2,-0.5 2,-1.3 -6,-0.0 3,-0.1 -0.529 106.6 -40.8 125.5 164.3 35.5 60.8 28.4 63 61 A D > - 0 0 126 1,-0.2 4,-3.1 -2,-0.2 3,-0.5 -0.515 52.6-160.4 -68.4 93.8 39.1 59.6 27.5 64 62 A R H > S+ 0 0 39 -2,-1.3 4,-3.0 1,-0.2 5,-0.2 0.882 89.6 50.6 -37.2 -54.0 40.7 60.4 30.9 65 63 A X H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 112.5 45.0 -57.8 -44.2 44.1 60.3 29.2 66 64 A A H > S+ 0 0 51 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.888 113.9 49.9 -68.1 -41.0 43.1 62.6 26.4 67 65 A A H X S+ 0 0 21 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.914 112.8 46.9 -61.2 -45.6 41.4 65.0 28.9 68 66 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 -2,-0.2 0.858 110.1 53.5 -65.9 -38.3 44.5 65.0 31.1 69 67 A D H X S+ 0 0 80 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.889 110.9 46.2 -61.1 -42.5 46.7 65.6 28.1 70 68 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.862 112.1 51.2 -67.5 -36.1 44.5 68.6 27.2 71 69 A Y H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.856 108.8 50.7 -69.8 -35.5 44.7 69.8 30.8 72 70 A E H X S+ 0 0 39 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.857 107.5 54.8 -67.3 -37.0 48.4 69.5 30.7 73 71 A E H X S+ 0 0 104 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 107.9 48.3 -59.4 -45.8 48.3 71.6 27.5 74 72 A E H X S+ 0 0 47 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 110.5 52.3 -60.4 -45.5 46.4 74.3 29.3 75 73 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.919 109.7 47.6 -57.4 -48.1 49.0 74.1 32.2 76 74 A R H X S+ 0 0 97 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.864 109.6 53.8 -63.1 -36.9 51.9 74.5 29.8 77 75 A R H X>S+ 0 0 68 -4,-2.1 5,-2.9 1,-0.2 4,-0.6 0.855 103.3 57.1 -62.8 -35.7 50.1 77.5 28.1 78 76 A A H <5S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 107.4 47.8 -68.5 -25.3 49.8 79.1 31.6 79 77 A F H <5S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.603 110.3 52.7 -84.4 -16.3 53.6 78.9 31.9 80 78 A A H <5S- 0 0 63 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.475 118.0-111.1 -94.9 -5.5 54.0 80.4 28.4 81 79 A G T <5S+ 0 0 54 -4,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 0.799 91.8 103.9 79.2 32.1 51.7 83.4 29.2 82 80 A E < + 0 0 112 -5,-2.9 -4,-0.2 -8,-0.1 -5,-0.1 -0.166 41.0 157.7-139.3 41.7 48.9 82.2 26.9 83 81 A A - 0 0 14 -6,-0.3 -8,-0.1 -5,-0.2 -9,-0.0 -0.250 22.2-168.8 -62.7 156.1 46.2 80.8 29.2 84 82 A T + 0 0 93 -10,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.474 59.6 74.5-128.1 -10.2 42.6 80.7 27.9 85 83 A T S > S- 0 0 45 1,-0.1 4,-1.7 -11,-0.1 5,-0.2 -0.670 79.9-123.4 -99.1 154.9 40.5 79.8 30.9 86 84 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.975 115.8 49.3 -54.9 -53.8 39.5 82.1 33.8 87 85 A A H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -38,-0.1 0.890 114.1 44.2 -51.1 -47.2 41.1 79.5 36.2 88 86 A F H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.731 108.4 56.6 -77.7 -24.2 44.3 79.3 34.2 89 87 A R H X S+ 0 0 82 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.918 110.7 45.9 -66.5 -44.3 44.6 83.0 33.7 90 88 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-0.3 0.950 113.6 48.6 -60.3 -48.0 44.5 83.3 37.5 91 89 A L H X S+ 0 0 1 -4,-2.4 4,-3.9 1,-0.2 -2,-0.2 0.899 106.3 58.4 -57.6 -43.2 47.1 80.5 37.8 92 90 A Q H X S+ 0 0 45 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.865 108.4 44.7 -52.0 -45.1 49.2 82.2 35.1 93 91 A F H X S+ 0 0 60 -4,-1.7 4,-3.1 -3,-0.3 5,-0.2 0.944 114.8 49.0 -65.2 -48.9 49.5 85.3 37.3 94 92 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.924 108.1 53.8 -55.3 -51.0 50.2 83.1 40.4 95 93 A I H X>S+ 0 0 13 -4,-3.9 5,-1.9 1,-0.2 4,-0.6 0.935 116.6 38.9 -46.6 -53.5 52.9 81.1 38.5 96 94 A A H ><5S+ 0 0 74 -4,-1.7 3,-0.5 3,-0.2 -2,-0.2 0.918 115.9 48.9 -69.6 -46.8 54.7 84.4 37.6 97 95 A T H 3<5S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 122.4 33.2 -63.1 -39.7 54.1 86.3 40.9 98 96 A C H 3<5S- 0 0 24 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.394 103.7-127.3 -98.5 2.0 55.3 83.4 43.1 99 97 A N T <<5 - 0 0 141 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.921 40.1-174.1 48.3 53.2 57.9 82.1 40.7 100 98 A L < - 0 0 6 -5,-1.9 -1,-0.2 -6,-0.3 2,-0.1 -0.560 19.9-125.0 -80.5 137.2 56.4 78.6 40.9 101 99 A P - 0 0 53 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 -0.410 12.7-129.4 -75.6 160.0 58.2 75.7 39.1 102 100 A X S >> S+ 0 0 51 1,-0.2 4,-1.9 2,-0.1 3,-0.8 0.821 90.2 79.1 -78.4 -33.8 56.3 73.5 36.6 103 101 A E H 3> S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.827 89.1 52.5 -49.8 -46.0 57.2 70.0 37.9 104 102 A P H 3> S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.893 110.1 49.1 -62.5 -36.6 54.7 69.9 40.8 105 103 A F H <> S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.4 -2,-0.2 0.935 111.9 48.4 -63.6 -47.5 51.8 70.8 38.5 106 104 A L H X S+ 0 0 40 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.779 110.1 54.0 -61.2 -29.7 52.8 68.1 36.1 107 105 A R H X S+ 0 0 41 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.866 104.7 52.1 -75.3 -36.2 53.2 65.6 39.0 108 106 A L H X S+ 0 0 16 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.850 111.3 48.6 -65.1 -35.9 49.6 66.3 40.2 109 107 A I H >X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 3,-0.6 0.913 111.6 49.3 -66.0 -46.4 48.4 65.6 36.6 110 108 A E H 3X S+ 0 0 45 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.807 99.0 67.8 -62.9 -32.5 50.5 62.4 36.6 111 109 A A H 3X S+ 0 0 8 -4,-2.1 4,-2.1 22,-0.4 -1,-0.2 0.876 98.3 52.2 -55.6 -40.5 49.1 61.3 40.0 112 110 A N H S- 0 0 36 63,-0.2 4,-1.7 62,-0.2 3,-0.3 -0.796 72.2-107.6-128.8 167.3 55.6 47.4 48.4 124 122 A W H > S+ 0 0 21 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.860 119.8 58.9 -57.6 -38.6 56.0 50.4 50.8 125 123 A E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 103.7 51.2 -60.8 -37.4 58.3 51.9 48.1 126 124 A D H > S+ 0 0 50 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.907 112.7 44.6 -66.2 -44.4 55.5 51.7 45.6 127 125 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.943 113.0 50.9 -64.9 -48.5 53.1 53.5 47.9 128 126 A R H X S+ 0 0 101 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.920 109.0 53.2 -50.4 -46.6 55.8 56.1 48.9 129 127 A D H < S+ 0 0 60 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.863 105.6 52.0 -62.3 -39.0 56.3 56.6 45.1 130 128 A Y H >X S+ 0 0 22 -4,-1.8 3,-2.3 1,-0.2 4,-2.1 0.925 104.5 57.9 -59.6 -45.3 52.6 57.3 44.5 131 129 A C H 3X>S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 5,-2.2 0.785 92.5 68.4 -56.0 -31.5 52.7 59.9 47.3 132 130 A R H 3<5S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.634 113.3 30.6 -62.2 -14.1 55.5 61.8 45.4 133 131 A Y H <45S+ 0 0 36 -3,-2.3 -22,-0.4 -4,-0.2 -2,-0.2 0.717 126.8 37.9-112.7 -36.5 52.8 62.6 42.8 134 132 A S H <5S+ 0 0 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3> S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.763 117.2 69.5 -63.6 -26.0 45.0 41.3 50.5 197 195 A D H 3> S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.842 92.6 57.0 -59.7 -36.9 42.1 38.7 50.8 198 196 A D H <4>S+ 0 0 19 -3,-0.9 5,-3.0 2,-0.2 -1,-0.2 0.904 108.5 46.6 -58.1 -43.8 41.9 39.6 54.5 199 197 A I H ><5S+ 0 0 0 -4,-0.8 3,-1.4 3,-0.2 -2,-0.2 0.908 112.7 48.9 -65.8 -44.7 41.3 43.3 53.5 200 198 A R H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.905 113.3 46.9 -61.7 -42.7 38.8 42.3 50.9 201 199 A A T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.171 111.7-125.3 -85.6 16.8 37.0 40.1 53.4 202 200 A R T < 5 + 0 0 121 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.761 54.9 157.4 44.9 36.7 37.2 43.0 55.9 203 201 A R < - 0 0 121 -5,-3.0 2,-1.5 -6,-0.2 -1,-0.2 -0.834 36.5-155.1 -96.5 118.3 38.9 40.7 58.5 204 202 A A + 0 0 27 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.0 -0.541 30.5 170.5 -90.1 69.0 41.0 42.5 61.1 205 203 A T > - 0 0 50 -2,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.160 52.0 -98.9 -69.0 170.9 43.3 39.5 61.8 206 204 A D H > 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-4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.898 108.7 55.0 -58.8 -43.2 45.8 53.3 67.7 257 255 A R T 3<5S+ 0 0 186 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.328 106.4 53.7 -75.3 6.5 42.7 53.8 69.9 258 256 A Q T X 5S- 0 0 115 -3,-1.4 3,-0.8 -5,-0.1 -1,-0.3 0.135 118.4-109.8-121.8 15.9 40.9 51.4 67.6 259 257 A G T < 5 - 0 0 30 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.789 68.8 -65.9 58.8 31.1 43.5 48.6 67.9 260 258 A Y T 3