==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-10 2XM5 . COMPND 2 MOLECULE: CLOQ; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ROSEOCHROMOGENES SUBSP. O . AUTHOR U.METZGER,S.KELLER,C.E.M.STEVENSON,L.HEIDE,D.M.LAWSON . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 73.2 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 . 75 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 3 1 3 0 0 0 1 0 0 0 1 0 0 0 0 0 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 2 1 2 5 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 1 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 5 A P 0 0 87 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.0 75.6 -16.0 11.2 2 6 A I + 0 0 169 253,-0.0 0, 0.0 0, 0.0 0, 0.0 0.401 360.0 99.0-115.6 -4.4 78.4 -17.9 13.1 3 7 A D S S- 0 0 84 1,-0.1 252,-0.0 2,-0.1 0, 0.0 -0.079 85.7-100.0 -81.3-179.8 81.1 -17.7 10.3 4 8 A Q S S+ 0 0 100 2,-0.1 278,-0.6 277,-0.0 251,-0.2 0.625 84.1 104.2 -76.7 -17.1 84.1 -15.4 9.9 5 9 A E S S- 0 0 138 276,-0.1 2,-0.2 1,-0.1 38,-0.1 -0.369 79.3-101.7 -79.0 143.5 82.6 -13.0 7.3 6 10 A F - 0 0 23 37,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.437 39.3-178.4 -57.9 130.5 81.3 -9.5 8.0 7 11 A D > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.994 21.3-147.8-134.8 123.9 77.5 -9.3 8.3 8 12 A C H > S+ 0 0 1 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.865 95.4 49.7 -66.6 -41.2 75.9 -5.9 8.9 9 13 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 111.4 48.4 -64.6 -44.0 72.9 -7.1 10.9 10 14 A R H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 109.9 54.7 -59.2 -38.5 75.1 -9.3 13.3 11 15 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.926 104.6 52.7 -62.9 -43.7 77.4 -6.2 13.7 12 16 A R H < S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.926 113.0 44.8 -53.1 -47.9 74.4 -4.0 14.8 13 17 A A H < S+ 0 0 62 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 112.1 51.3 -66.5 -40.0 73.5 -6.6 17.4 14 18 A D H < 0 0 29 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.853 360.0 360.0 -70.0 -37.0 77.2 -7.0 18.5 15 19 A I < 0 0 5 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.967 360.0 360.0 -58.7 360.0 77.6 -3.2 19.0 16 ! 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 17 21 A A > 0 0 74 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -46.6 75.5 -6.2 23.1 18 22 A T H > + 0 0 4 -4,-2.6 4,-1.8 2,-0.2 6,-0.2 0.905 360.0 52.7 -66.9 -39.2 79.1 -5.3 23.7 19 23 A A H >>S+ 0 0 3 -4,-2.5 5,-2.7 -5,-0.3 4,-0.7 0.947 112.3 45.2 -60.1 -47.0 78.2 -1.7 24.7 20 24 A A H >45S+ 0 0 85 -5,-0.2 3,-0.8 1,-0.2 -1,-0.2 0.908 109.4 56.6 -60.7 -43.1 75.8 -3.1 27.3 21 25 A A H 3<5S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.5 35.4 -59.2 -40.9 78.3 -5.7 28.5 22 26 A I H 3<5S- 0 0 13 -4,-1.8 34,-0.3 -3,-0.2 -1,-0.2 0.391 114.4-111.2 -96.6 1.6 81.0 -3.1 29.3 23 27 A G T <<5 + 0 0 53 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.880 65.0 150.1 73.8 36.7 78.6 -0.4 30.6 24 28 A A < - 0 0 13 -5,-2.7 -1,-0.2 -6,-0.2 34,-0.1 -0.718 48.6-100.6 -96.1 151.2 79.1 2.0 27.6 25 29 A P - 0 0 62 0, 0.0 34,-0.4 0, 0.0 2,-0.4 -0.281 32.7-148.9 -67.2 159.7 76.6 4.5 26.2 26 30 A I - 0 0 74 85,-0.2 2,-0.5 32,-0.1 85,-0.3 -0.997 16.5-169.0-137.2 136.7 74.6 3.8 23.1 27 31 A A > - 0 0 24 83,-2.5 4,-2.3 -2,-0.4 5,-0.2 -0.934 13.4-172.4-121.3 99.1 73.2 6.0 20.4 28 32 A H H > S+ 0 0 137 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.944 80.0 39.9 -66.2 -52.6 70.9 3.8 18.3 29 33 A R H > S+ 0 0 216 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 115.6 52.4 -65.5 -39.9 70.0 6.0 15.4 30 34 A L H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 108.5 50.6 -64.2 -44.4 73.5 7.4 15.1 31 35 A T H X S+ 0 0 7 -4,-2.3 4,-2.9 79,-0.3 5,-0.2 0.929 108.4 52.5 -58.1 -44.8 75.0 4.0 15.0 32 36 A D H X S+ 0 0 74 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.892 107.9 52.3 -57.3 -36.6 72.5 3.0 12.2 33 37 A T H X S+ 0 0 42 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 47.5 -67.6 -43.2 73.6 6.1 10.3 34 38 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 112.8 48.8 -60.7 -49.2 77.3 5.1 10.6 35 39 A L H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.895 112.9 47.2 -62.8 -39.1 76.6 1.6 9.5 36 40 A E H < S+ 0 0 158 -4,-2.4 3,-0.4 -5,-0.2 4,-0.2 0.925 115.6 45.4 -66.9 -41.6 74.5 2.7 6.5 37 41 A A H < S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.836 126.9 27.1 -72.2 -33.4 77.1 5.3 5.4 38 42 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 3,-0.4 0.181 78.9 120.3-119.9 20.0 80.2 3.0 5.8 39 43 A R H X S+ 0 0 130 -4,-0.9 4,-2.6 -3,-0.4 5,-0.1 0.883 80.2 47.8 -50.8 -49.7 78.8 -0.6 5.3 40 44 A D H > S+ 0 0 95 -4,-0.2 4,-2.4 2,-0.2 5,-0.3 0.847 110.5 52.7 -64.1 -35.4 81.1 -1.3 2.3 41 45 A N H > S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 25,-0.3 0.929 113.2 43.4 -65.9 -46.3 84.1 -0.0 4.2 42 46 A F H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 115.2 50.5 -62.8 -40.8 83.4 -2.3 7.1 43 47 A A H < S+ 0 0 50 -4,-2.6 -37,-0.3 -5,-0.3 -2,-0.2 0.889 119.0 34.6 -66.4 -40.7 82.6 -5.2 4.8 44 48 A Q H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.708 117.6 55.6 -90.4 -22.5 85.8 -5.0 2.7 45 49 A G S < S- 0 0 1 -4,-1.9 2,-0.6 -5,-0.3 20,-0.2 -0.074 99.0 -80.2 -92.6-167.3 88.2 -3.8 5.5 46 50 A A E -A 64 0A 0 18,-2.3 18,-2.9 237,-0.1 2,-0.4 -0.920 44.1-159.1 -95.9 122.6 89.2 -5.1 8.9 47 51 A T E +AB 63 281A 0 234,-2.3 234,-1.6 -2,-0.6 233,-1.5 -0.860 21.0 164.3-102.2 137.9 86.5 -4.2 11.4 48 52 A L E -AB 62 279A 0 14,-2.2 14,-2.7 -2,-0.4 2,-0.3 -0.963 30.8-116.1-153.3 165.4 87.6 -4.2 15.1 49 53 A W E +AB 61 278A 0 229,-2.9 229,-2.1 -2,-0.3 2,-0.3 -0.710 25.4 179.9-106.2 154.7 86.6 -3.1 18.6 50 54 A K E +AB 60 277A 24 10,-2.3 10,-3.3 -2,-0.3 2,-0.3 -0.993 10.0 148.7-151.1 142.7 88.4 -0.7 21.0 51 55 A T E - B 0 276A 0 225,-2.0 225,-2.3 -2,-0.3 2,-0.3 -0.938 28.5-126.7-152.3-174.1 87.9 0.7 24.5 52 56 A T E - B 0 275A 5 6,-0.3 223,-0.2 -2,-0.3 5,-0.2 -0.815 29.7-106.5-128.7 174.0 89.8 2.0 27.5 53 57 A S S S+ 0 0 26 221,-2.0 191,-0.2 -2,-0.3 222,-0.1 0.475 79.1 118.2 -79.7 -2.3 90.0 1.3 31.2 54 58 A Q S > S- 0 0 82 220,-0.2 3,-2.2 1,-0.1 -2,-0.2 -0.517 81.1-100.5 -66.6 129.3 88.3 4.5 32.1 55 59 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.232 103.6 3.6 -53.9 132.2 85.0 3.7 33.9 56 60 A G T 3 S+ 0 0 39 -34,-0.3 3,-0.1 1,-0.2 -33,-0.1 0.564 90.9 164.6 69.4 11.9 82.1 3.9 31.4 57 61 A D < - 0 0 38 -3,-2.2 -1,-0.2 -5,-0.2 -35,-0.0 -0.205 43.4 -87.3 -65.7 157.3 84.2 4.7 28.5 58 62 A Q - 0 0 21 -34,-0.1 2,-0.6 1,-0.1 -6,-0.3 -0.141 29.5-124.2 -56.3 146.0 82.8 4.4 25.0 59 63 A L - 0 0 0 -34,-0.4 51,-3.1 -8,-0.1 2,-0.3 -0.879 36.7-160.7 -82.6 123.5 82.8 1.2 23.0 60 64 A S E -AC 50 109A 11 -10,-3.3 -10,-2.3 -2,-0.6 2,-0.3 -0.780 11.8-165.8-106.4 154.8 84.6 2.1 19.8 61 65 A Y E -AC 49 108A 0 47,-2.5 47,-2.6 -2,-0.3 2,-0.3 -0.997 10.2-173.2-139.9 141.2 84.5 0.3 16.5 62 66 A R E -AC 48 107A 1 -14,-2.7 -14,-2.2 -2,-0.3 2,-0.5 -0.942 20.2-147.1-134.9 148.3 86.8 0.9 13.6 63 67 A F E -AC 47 106A 0 43,-2.2 43,-1.7 -2,-0.3 2,-0.6 -0.994 10.3-154.9-108.7 130.1 87.4 -0.1 10.0 64 68 A F E -A 46 0A 7 -18,-2.9 -18,-2.3 -2,-0.5 2,-0.1 -0.926 39.0-113.8 -93.6 125.9 90.9 -0.4 8.7 65 69 A S + 0 0 9 -2,-0.6 3,-0.1 -20,-0.2 -23,-0.1 -0.334 53.6 155.3 -80.4 136.4 90.5 0.2 5.0 66 70 A R S S+ 0 0 96 -25,-0.3 2,-0.6 -2,-0.1 -1,-0.2 0.563 76.5 73.4-104.6 -35.3 91.0 -2.0 2.0 67 71 A L S S- 0 0 51 -26,-0.2 2,-0.6 -27,-0.1 -1,-0.1 -0.679 82.1-146.1 -75.0 116.6 88.5 0.2 0.0 68 72 A K + 0 0 124 -2,-0.6 2,-0.3 -3,-0.1 37,-0.1 -0.761 42.1 127.2 -91.4 118.8 90.3 3.5 -0.8 69 73 A M S S- 0 0 50 -2,-0.6 2,-1.6 35,-0.3 35,-0.4 -0.963 70.2 -80.0-160.3 172.3 87.9 6.4 -0.8 70 74 A D > + 0 0 90 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 -0.652 47.5 171.8 -85.0 85.7 87.2 9.9 0.6 71 75 A T H > S+ 0 0 0 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.803 73.5 57.8 -65.8 -30.3 85.8 8.8 4.0 72 76 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 106.2 48.3 -68.2 -46.5 85.7 12.3 5.3 73 77 A S H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.890 112.0 50.6 -58.0 -39.8 83.4 13.5 2.4 74 78 A R H X S+ 0 0 86 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.912 109.1 50.8 -65.7 -42.3 81.2 10.5 3.1 75 79 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 6,-0.8 0.900 112.4 46.3 -62.3 -43.1 81.0 11.3 6.8 76 80 A I H ><5S+ 0 0 49 -4,-2.5 3,-2.0 4,-0.2 -2,-0.2 0.952 109.6 54.8 -64.7 -45.4 80.0 14.9 5.9 77 81 A D H 3<5S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.874 109.3 49.3 -50.8 -42.0 77.5 13.7 3.4 78 82 A A T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.397 116.5-110.2 -85.1 1.3 75.9 11.5 6.1 79 83 A G T < 5S+ 0 0 65 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.691 88.2 115.6 78.4 21.0 75.6 14.3 8.8 80 84 A L S - 0 0 107 -2,-0.3 3,-1.9 1,-0.1 -6,-0.1 -0.402 19.4-140.0 -60.8 126.8 80.4 19.2 10.4 83 87 A A T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 -7,-0.1 0.720 104.4 49.1 -59.9 -20.7 81.1 20.6 6.9 84 88 A A T 3 S+ 0 0 82 4,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.171 76.6 147.5-101.8 13.7 82.8 23.6 8.6 85 89 A H X - 0 0 34 -3,-1.9 3,-1.6 1,-0.2 4,-0.3 -0.301 48.0-139.0 -56.9 130.3 85.0 21.6 11.0 86 90 A P T 3 S+ 0 0 99 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.706 97.7 61.1 -70.6 -14.9 88.3 23.5 11.5 87 91 A T T 3> S+ 0 0 0 1,-0.2 4,-1.9 75,-0.1 3,-0.3 0.549 78.2 90.3 -85.2 -4.2 90.4 20.4 11.3 88 92 A L H <> S+ 0 0 37 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.879 80.2 57.7 -60.1 -39.4 89.3 19.5 7.8 89 93 A A H > S+ 0 0 62 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.911 107.4 46.6 -61.2 -42.0 92.2 21.5 6.2 90 94 A V H > S+ 0 0 6 -4,-0.3 4,-2.9 -3,-0.3 5,-0.2 0.931 113.3 49.1 -63.9 -45.5 94.9 19.5 8.0 91 95 A V H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.914 111.6 48.9 -63.3 -39.3 93.2 16.2 7.1 92 96 A D H X S+ 0 0 105 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.922 111.9 49.7 -63.7 -41.8 93.0 17.3 3.4 93 97 A A H X S+ 0 0 25 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.957 113.8 44.7 -63.8 -49.7 96.7 18.3 3.4 94 98 A W H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.872 112.8 51.3 -62.1 -39.7 97.8 15.0 4.9 95 99 A S H 3< S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.767 108.8 52.9 -68.1 -26.2 95.6 13.0 2.6 96 100 A S H >X S+ 0 0 67 -4,-1.4 4,-0.6 -3,-0.5 3,-0.5 0.589 83.5 112.4 -87.5 -12.2 96.9 14.8 -0.4 97 101 A L H XX S+ 0 0 38 -4,-0.7 3,-1.5 -3,-0.7 4,-0.8 -0.150 75.9 21.0 -57.9 153.9 100.6 14.1 0.3 98 102 A Y H >4 S- 0 0 73 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.866 137.4 -58.3 55.2 40.5 102.6 11.8 -2.0 99 103 A G H <4 S- 0 0 88 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.734 105.3 -51.5 65.4 23.5 100.2 12.3 -4.9 100 104 A G H << S+ 0 0 23 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.659 94.9 140.3 87.5 20.8 97.4 10.9 -2.7 101 105 A A << + 0 0 39 -3,-0.9 -3,-0.1 -4,-0.8 -2,-0.1 0.816 40.6 98.5 -63.9 -35.7 99.0 7.7 -1.5 102 106 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.239 64.4-145.1 -60.9 150.8 97.7 7.9 2.0 103 107 A V E - D 0 120A 31 17,-2.3 17,-2.3 -35,-0.1 2,-0.3 -0.969 7.8-136.4-119.8 128.6 94.6 5.8 2.8 104 108 A Q E + D 0 119A 17 -2,-0.4 -35,-0.3 -35,-0.4 2,-0.2 -0.635 21.2 178.4 -83.2 137.5 91.9 6.9 5.3 105 109 A S E - D 0 118A 1 13,-1.8 13,-2.2 -2,-0.3 2,-0.4 -0.765 19.8-129.6-124.3 172.9 90.3 4.6 7.9 106 110 A G E -CD 63 117A 0 -43,-1.7 -43,-2.2 -2,-0.2 2,-0.4 -0.984 12.2-162.2-141.2 142.2 87.6 5.5 10.4 107 111 A D E -CD 62 116A 4 9,-2.6 8,-2.9 -2,-0.4 9,-1.8 -0.972 16.0-177.3-122.3 136.7 86.9 5.2 14.1 108 112 A F E -CD 61 114A 0 -47,-2.6 -47,-2.5 -2,-0.4 2,-0.4 -0.927 20.6-136.9-135.6 152.7 83.5 5.5 15.7 109 113 A D E >> -CD 60 113A 8 4,-2.9 4,-2.5 -2,-0.3 3,-0.9 -0.931 17.3-135.7-110.4 135.3 82.0 5.5 19.2 110 114 A A T 34 S+ 0 0 0 -51,-3.1 -83,-2.5 -2,-0.4 -79,-0.3 0.775 108.2 37.8 -56.5 -28.5 78.7 3.5 19.9 111 115 A G T 34 S+ 0 0 21 -52,-0.3 -1,-0.2 -85,-0.3 -85,-0.2 0.521 129.4 26.9-102.3 -6.6 77.4 6.5 21.9 112 116 A R T <4 S- 0 0 103 -3,-0.9 2,-0.2 1,-0.3 -2,-0.2 0.401 88.5-137.8-139.3 -4.6 78.8 9.5 19.9 113 117 A G E < S+D 109 0A 1 -4,-2.5 -4,-2.9 -86,-0.1 -1,-0.3 -0.567 72.3 30.7 80.8-139.3 79.2 8.5 16.2 114 118 A M E +D 108 0A 5 -34,-0.3 -6,-0.3 -2,-0.2 3,-0.1 -0.307 59.6 161.8 -64.2 130.3 82.3 9.6 14.2 115 119 A A E + 0 0 9 -8,-2.9 47,-1.6 1,-0.4 48,-0.6 0.741 54.7 4.7-115.1 -53.3 85.4 9.8 16.5 116 120 A K E -DE 107 161A 34 -9,-1.8 -9,-2.6 45,-0.2 2,-0.5 -0.984 47.2-143.3-143.1 148.5 88.6 9.8 14.4 117 121 A T E -DE 106 160A 0 43,-1.9 43,-3.2 -2,-0.3 2,-0.3 -0.964 26.4-156.5-107.7 123.8 89.9 9.7 10.9 118 122 A W E -DE 105 159A 12 -13,-2.2 -13,-1.8 -2,-0.5 2,-0.4 -0.748 4.6-160.8 -96.6 147.3 93.0 7.6 10.5 119 123 A L E -DE 104 158A 1 39,-2.6 39,-1.6 -2,-0.3 2,-0.5 -0.999 7.8-162.9-124.9 126.8 95.6 8.0 7.8 120 124 A Y E -DE 103 157A 38 -17,-2.3 -17,-2.3 -2,-0.4 37,-0.2 -0.969 12.9-156.3 -98.2 125.7 98.1 5.3 6.8 121 125 A F E - 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0 0 21 -2,-0.1 -63,-0.5 -85,-0.1 2,-0.2 -0.923 20.6-145.9-106.6 135.9 105.4 -5.7 14.2 295 299 A F > - 0 0 18 -2,-0.4 3,-2.0 4,-0.3 -63,-0.2 -0.625 29.9 -83.5-102.5 157.1 103.7 -8.2 16.4 296 300 A H T 3 S+ 0 0 56 -65,-3.0 -1,-0.1 1,-0.3 3,-0.1 -0.273 114.5 14.7 -53.4 133.6 104.4 -9.5 19.8 297 301 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.484 107.9 103.0 77.6 4.5 107.0 -12.3 19.9 298 302 A E S < S- 0 0 116 -3,-2.0 -1,-0.3 1,-0.1 2,-0.3 -0.589 85.8 -78.1-109.4 174.2 108.2 -11.5 16.3 299 303 A E - 0 0 144 -2,-0.2 -4,-0.3 1,-0.1 -1,-0.1 -0.556 40.3-174.2 -66.2 130.4 111.2 -9.8 14.9 300 304 A G + 0 0 5 -2,-0.3 -91,-2.6 -6,-0.1 2,-0.5 -0.242 34.3 131.8-124.2 42.6 110.6 -6.1 15.1 301 305 A R - 0 0 97 -93,-0.2 2,-0.9 -127,-0.1 3,-0.1 -0.859 45.2-152.7 -96.9 126.3 113.6 -4.9 13.2 302 306 A D > - 0 0 2 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.822 13.4-178.3-100.9 100.4 112.8 -2.3 10.6 303 307 A H H > S+ 0 0 118 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.883 82.9 52.6 -70.3 -35.8 115.6 -2.7 8.0 304 308 A D H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.0 49.0 -61.5 -44.5 114.3 0.2 5.8 305 309 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.907 108.4 53.2 -60.9 -42.6 114.3 2.4 8.9 306 310 A R H X S+ 0 0 43 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.885 109.0 49.5 -66.9 -35.1 117.9 1.4 9.7 307 311 A A H X S+ 0 0 67 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.870 110.5 50.8 -62.8 -41.3 119.0 2.3 6.2 308 312 A L H < S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.5 48.4 -68.7 -36.8 117.3 5.7 6.4 309 313 A H H < S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.0 58.9 -70.6 -31.6 119.0 6.5 9.8 310 314 A Q H < 0 0 90 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.889 360.0 360.0 -64.8 -41.8 122.4 5.5 8.4 311 315 A H < 0 0 125 -4,-1.4 -4,-0.0 0, 0.0 0, 0.0 -0.336 360.0 360.0 -58.0 360.0 122.4 8.1 5.5