==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-AUG-12 4B6S . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI 26695; . AUTHOR J.M.OTERO,A.L.LLAMAS-SAIZ,E.LENCE,L.TIZON,A.PEON,V.F.V.PRAZE . 471 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.3 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 . 1 0.2 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 3 0 0 3 0 3 0 0 0 2 1 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 0 6 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 3 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 M 0 0 44 0, 0.0 45,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 128.7 43.6 33.0 -2.7 2 2 A K E -ab 46 70A 70 67,-0.7 69,-2.4 43,-0.2 70,-0.8 -0.847 360.0-166.8 -86.5 125.1 41.5 32.6 -5.8 3 3 A I E -ab 47 72A 1 43,-1.5 45,-2.5 -2,-0.6 2,-0.5 -0.954 10.7-142.1-113.1 132.5 38.8 35.2 -5.8 4 4 A L E -ab 48 73A 0 68,-2.6 70,-2.6 -2,-0.4 2,-0.6 -0.811 8.2-159.2 -97.1 132.8 35.9 34.9 -8.2 5 5 A V E -ab 49 74A 0 43,-3.3 45,-2.3 -2,-0.5 2,-0.5 -0.938 9.2-168.7-114.3 110.6 34.5 38.1 -9.8 6 6 A I E -ab 50 75A 0 68,-2.6 70,-2.5 -2,-0.6 2,-0.5 -0.885 2.3-169.0-103.1 126.1 31.0 37.6 -11.2 7 7 A Q E -ab 51 76A 0 43,-3.1 45,-2.0 -2,-0.5 3,-0.1 -0.951 13.3-148.4-118.1 125.1 29.6 40.3 -13.4 8 8 A G > - 0 0 0 68,-3.5 3,-1.5 -2,-0.5 4,-0.4 0.193 43.2 -29.6 -83.9-163.0 25.8 40.2 -14.2 9 9 A P T 3 S+ 0 0 3 0, 0.0 70,-0.4 0, 0.0 -1,-0.2 -0.132 122.5 2.1 -60.7 140.1 23.7 41.2 -17.2 10 10 A N T > S+ 0 0 15 -3,-0.1 3,-2.0 1,-0.1 4,-0.1 0.278 91.9 113.4 74.7 -6.7 24.8 44.2 -19.4 11 11 A L G X S+ 0 0 16 -3,-1.5 3,-1.4 1,-0.3 16,-0.2 0.811 70.4 65.0 -65.5 -29.5 28.0 44.8 -17.5 12 12 A N G 3 S+ 0 0 46 -4,-0.4 -1,-0.3 1,-0.2 15,-0.2 0.609 91.2 66.3 -62.8 -11.6 29.8 43.6 -20.6 13 13 A M G X + 0 0 19 -3,-2.0 3,-2.0 13,-0.1 -1,-0.2 0.388 69.5 130.8 -96.1 2.9 28.3 46.8 -22.3 14 14 A L T < S+ 0 0 11 -3,-1.4 13,-0.6 1,-0.3 4,-0.1 -0.359 78.9 11.2 -54.7 134.0 30.3 49.3 -20.3 15 15 A G T 3 S+ 0 0 19 2,-0.5 -1,-0.3 8,-0.3 11,-0.2 0.408 114.6 81.7 69.0 -0.8 32.1 51.9 -22.4 16 16 A H S < S+ 0 0 111 -3,-2.0 2,-0.2 1,-0.3 -2,-0.2 0.242 103.8 10.1-112.3 11.8 30.0 50.7 -25.4 17 17 A R S S+ 0 0 94 -4,-0.2 -2,-0.5 6,-0.1 -1,-0.3 -0.856 113.2 25.4 179.5 150.8 26.9 52.7 -24.4 18 18 A D > - 0 0 59 -2,-0.2 4,-1.3 -3,-0.1 -3,-0.1 0.936 48.7-177.9 53.7 60.6 25.7 55.5 -22.0 19 19 A P T 4 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.755 75.6 67.4 -51.0 -21.3 29.0 57.3 -21.3 20 20 A R T 4 S+ 0 0 208 1,-0.1 -2,-0.0 4,-0.1 4,-0.0 0.990 107.6 21.7 -69.9 -71.6 26.8 59.5 -19.0 21 21 A L T 4 S+ 0 0 95 2,-0.0 -1,-0.1 83,-0.0 2,-0.1 0.793 134.3 31.0 -74.2 -34.2 25.6 57.4 -16.0 22 22 A Y S < S- 0 0 67 -4,-1.3 -4,-0.0 1,-0.3 -8,-0.0 -0.203 99.1 -98.1-101.6-158.6 28.3 54.7 -16.2 23 23 A G - 0 0 27 2,-0.3 -8,-0.3 -2,-0.1 -1,-0.3 0.192 19.1-114.3 -99.4-142.7 31.9 55.5 -17.5 24 24 A M S S+ 0 0 139 -10,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.183 84.8 108.3-134.2 0.2 33.7 55.1 -20.8 25 25 A V - 0 0 49 -6,-0.1 -2,-0.3 1,-0.1 -9,-0.1 -0.583 69.2-130.8 -68.2 132.8 35.9 52.5 -19.1 26 26 A T > - 0 0 25 -2,-0.3 4,-2.0 -11,-0.2 -11,-0.2 -0.371 18.3-109.0 -87.7 170.0 35.2 49.0 -20.4 27 27 A L H > S+ 0 0 13 -13,-0.6 4,-1.9 2,-0.2 5,-0.1 0.919 121.0 51.8 -65.0 -45.5 34.6 45.9 -18.4 28 28 A D H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 107.8 53.2 -55.1 -43.2 37.9 44.4 -19.5 29 29 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 107.0 51.3 -59.3 -42.2 39.6 47.7 -18.4 30 30 A I H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.894 110.0 50.2 -58.9 -40.6 38.0 47.3 -14.9 31 31 A H H X S+ 0 0 15 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.880 109.5 50.3 -69.8 -36.2 39.3 43.8 -14.7 32 32 A E H X S+ 0 0 116 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.894 108.8 53.1 -62.0 -43.6 42.9 45.0 -15.7 33 33 A I H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.860 108.6 49.4 -62.3 -36.9 42.7 47.6 -13.0 34 34 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.915 111.5 48.1 -68.3 -46.1 41.8 45.0 -10.4 35 35 A Q H X S+ 0 0 89 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.908 112.1 51.1 -56.0 -45.6 44.7 42.8 -11.6 36 36 A T H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.897 106.7 53.8 -61.3 -40.9 46.9 45.9 -11.4 37 37 A F H X S+ 0 0 68 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.845 112.8 43.6 -61.6 -40.5 45.7 46.5 -7.8 38 38 A V H <>S+ 0 0 9 -4,-1.8 5,-2.5 2,-0.2 4,-0.3 0.925 114.0 48.8 -65.1 -53.6 46.7 43.0 -6.7 39 39 A K H ><5S+ 0 0 161 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.922 114.2 44.3 -62.7 -46.0 50.0 42.9 -8.5 40 40 A Q H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.6 50.1 -72.4 -28.1 51.2 46.3 -7.1 41 41 A G T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.482 107.7-130.7 -77.3 -0.2 49.9 45.5 -3.7 42 42 A N T < 5 + 0 0 144 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.955 46.6 169.7 39.9 54.7 51.8 42.2 -4.0 43 43 A L < - 0 0 54 -5,-2.5 2,-1.4 2,-0.1 -1,-0.2 -0.737 43.3-126.5 -88.7 145.7 48.7 40.5 -2.8 44 44 A D + 0 0 124 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.0 -0.707 65.6 130.3 -88.6 76.6 48.6 36.7 -3.1 45 45 A V - 0 0 12 -2,-1.4 2,-0.6 -10,-0.1 -43,-0.2 -0.999 43.8-162.8-136.4 130.8 45.3 36.8 -5.0 46 46 A E E -a 2 0A 91 -45,-2.8 -43,-1.5 -2,-0.4 2,-0.2 -0.943 21.6-151.7-111.5 105.2 44.5 35.0 -8.3 47 47 A L E -a 3 0A 20 -2,-0.6 2,-0.4 -45,-0.2 -43,-0.2 -0.556 9.6-164.7 -81.6 139.7 41.4 36.6 -9.8 48 48 A E E -a 4 0A 87 -45,-2.5 -43,-3.3 -2,-0.2 2,-0.4 -0.994 11.6-152.7-120.7 127.7 39.0 34.7 -12.0 49 49 A F E +a 5 0A 55 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.848 17.4 171.6-109.2 138.7 36.5 36.8 -14.1 50 50 A F E -a 6 0A 52 -45,-2.3 -43,-3.1 -2,-0.4 2,-0.4 -0.956 5.1-178.2-145.0 117.9 33.1 35.7 -15.3 51 51 A Q E +a 7 0A 52 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.954 13.2 160.3-114.5 145.7 30.4 37.8 -17.0 52 52 A T - 0 0 4 -45,-2.0 -41,-0.2 -2,-0.4 -2,-0.0 -0.985 41.0-149.8-155.8 149.4 27.0 36.5 -18.1 53 53 A N S S+ 0 0 2 -2,-0.3 2,-0.5 -44,-0.2 324,-0.2 0.259 77.3 96.7 -93.4 6.6 23.5 37.8 -19.0 54 54 A F > - 0 0 20 1,-0.2 4,-1.7 320,-0.1 3,-0.4 -0.889 61.2-156.8-107.1 121.2 22.0 34.5 -17.6 55 55 A E H > S+ 0 0 20 -2,-0.5 4,-2.3 1,-0.2 3,-0.2 0.924 98.8 52.3 -54.1 -48.2 20.6 34.3 -14.1 56 56 A G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.795 104.6 55.6 -63.9 -29.4 21.1 30.5 -14.2 57 57 A E H > S+ 0 0 69 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.868 108.0 49.2 -70.6 -35.5 24.8 30.9 -15.2 58 58 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.939 112.9 46.3 -64.4 -49.9 25.4 33.1 -12.2 59 59 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.924 111.3 53.0 -59.4 -46.9 23.7 30.4 -9.9 60 60 A D H X S+ 0 0 47 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.937 111.4 47.0 -50.4 -48.9 25.8 27.6 -11.6 61 61 A K H X S+ 0 0 44 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.872 110.5 49.7 -66.6 -38.6 29.0 29.6 -10.9 62 62 A I H < S+ 0 0 1 -4,-2.2 3,-0.4 2,-0.2 4,-0.3 0.938 114.3 46.2 -66.0 -46.1 28.2 30.3 -7.3 63 63 A Q H >< S+ 0 0 17 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.897 106.4 57.9 -58.0 -46.1 27.3 26.6 -6.7 64 64 A E H 3< S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 100.0 60.9 -59.3 -25.8 30.5 25.5 -8.5 65 65 A S T >< S+ 0 0 0 -4,-1.1 3,-1.6 -3,-0.4 2,-0.5 0.595 78.2 106.2 -76.6 -13.2 32.4 27.6 -5.9 66 66 A V T < S- 0 0 50 -3,-2.1 29,-0.1 -4,-0.3 3,-0.1 -0.582 100.1 -2.6 -72.0 120.3 31.0 25.5 -3.1 67 67 A G T 3 S+ 0 0 84 -2,-0.5 -1,-0.3 27,-0.3 2,-0.1 0.680 111.7 121.9 71.6 18.0 33.9 23.2 -1.9 68 68 A S S < S- 0 0 48 -3,-1.6 -1,-0.2 2,-0.2 -3,-0.1 -0.232 82.4 -93.2 -93.9-168.9 36.1 24.6 -4.6 69 69 A D S S+ 0 0 86 -2,-0.1 -67,-0.7 -3,-0.1 2,-0.3 0.451 91.2 106.8 -81.4 -12.0 39.5 26.4 -4.4 70 70 A Y E -b 2 0A 28 -5,-0.2 -2,-0.2 1,-0.1 -67,-0.2 -0.586 47.6-172.1 -75.4 135.1 37.8 29.8 -4.4 71 71 A E E + 0 0 92 -69,-2.4 2,-0.3 -2,-0.3 -68,-0.2 0.539 65.5 7.8-103.7 -12.0 37.9 31.6 -1.0 72 72 A G E -b 3 0A 0 -70,-0.8 -68,-2.6 24,-0.2 2,-0.4 -0.990 56.8-138.9-167.3 160.4 35.6 34.5 -2.0 73 73 A I E -bc 4 98A 0 24,-2.4 26,-2.4 -2,-0.3 2,-0.5 -0.992 3.1-164.7-130.0 132.9 33.2 36.1 -4.5 74 74 A I E -bc 5 99A 0 -70,-2.6 -68,-2.6 -2,-0.4 2,-0.4 -0.973 27.5-173.0-111.2 125.5 32.9 39.7 -5.6 75 75 A I E -bc 6 100A 0 24,-3.9 26,-2.5 -2,-0.5 -68,-0.2 -0.982 34.0-179.0-132.5 133.2 29.6 40.1 -7.4 76 76 A N E -b 7 0A 7 -70,-2.5 -68,-3.5 -2,-0.4 -65,-0.1 -0.909 13.5-174.4-117.0 99.9 27.7 42.7 -9.4 77 77 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.471 22.1-154.2 -78.4 1.6 24.4 40.9 -10.3 78 78 A G T > - 0 0 12 1,-0.3 3,-1.6 -70,-0.2 4,-0.3 -0.358 68.1 -11.5 68.7-143.4 23.3 43.8 -12.4 79 79 A A T >> S+ 0 0 0 -70,-0.4 3,-1.3 1,-0.3 4,-0.6 0.740 128.5 73.0 -67.4 -19.9 19.5 44.1 -12.8 80 80 A F H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.3 -1,-0.3 0.670 79.3 77.7 -67.1 -15.9 19.1 40.6 -11.2 81 81 A S H <4 S+ 0 0 0 -3,-1.6 36,-1.7 1,-0.2 37,-1.3 0.899 99.7 40.1 -52.2 -42.3 20.0 42.3 -7.9 82 82 A H H <4 S+ 0 0 14 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.654 129.0 27.3 -86.1 -19.3 16.5 43.7 -7.7 83 83 A T H < S+ 0 0 36 -4,-0.6 2,-1.3 -3,-0.2 3,-0.2 0.711 90.5 95.4-115.3 -27.6 14.6 40.6 -8.9 84 84 A S X + 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.1 -0.574 22.1 159.6 -95.5 92.1 16.6 37.3 -8.2 85 85 A I H > S+ 0 0 3 -2,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.833 83.1 61.5 -61.7 -35.7 15.6 35.5 -5.1 86 86 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 105.8 43.1 -58.9 -48.6 17.2 32.5 -6.8 87 87 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 112.3 54.3 -66.4 -38.2 20.6 34.2 -6.9 88 88 A A H X S+ 0 0 7 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.915 107.4 50.6 -60.1 -41.7 20.1 35.4 -3.4 89 89 A D H X S+ 0 0 23 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.908 109.0 51.4 -59.3 -46.1 19.5 31.8 -2.3 90 90 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.941 109.0 50.8 -55.2 -53.7 22.7 30.7 -4.0 91 91 A I H >< S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.902 104.6 59.1 -50.0 -43.0 24.6 33.5 -2.2 92 92 A M H 3< S+ 0 0 109 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.796 111.2 39.0 -61.7 -29.1 23.2 32.3 1.1 93 93 A L T << S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.286 84.6 105.3-101.9 12.7 24.6 28.8 0.7 94 94 A A < - 0 0 2 -3,-1.7 -27,-0.3 -4,-0.2 -1,-0.2 0.833 69.1-148.2 -67.7 -30.5 27.9 29.9 -0.8 95 95 A G + 0 0 79 -4,-0.3 -1,-0.1 -3,-0.3 -3,-0.1 0.682 67.2 67.6 74.4 21.3 29.9 29.2 2.4 96 96 A K S S- 0 0 35 -5,-0.3 -1,-0.2 -23,-0.0 -24,-0.2 -0.956 98.4 -64.7-162.4 161.5 32.4 32.0 1.9 97 97 A P - 0 0 23 0, 0.0 -24,-2.4 0, 0.0 2,-0.4 -0.285 46.2-171.6 -60.8 134.4 32.5 35.8 1.8 98 98 A V E -c 73 0A 8 -26,-0.2 25,-1.6 23,-0.1 26,-0.8 -1.000 2.3-165.5-129.3 128.1 30.4 37.4 -1.0 99 99 A I E -cd 74 124A 9 -26,-2.4 -24,-3.9 -2,-0.4 2,-0.4 -0.961 10.0-144.3-119.0 130.4 30.6 41.1 -1.6 100 100 A E E -cd 75 125A 0 24,-2.2 26,-2.4 -2,-0.4 2,-0.4 -0.809 16.9-171.9 -95.8 134.7 28.1 43.0 -3.7 101 101 A V E - d 0 126A 0 -26,-2.5 2,-0.4 -2,-0.4 26,-0.2 -0.981 8.0-176.3-124.4 136.6 29.3 45.9 -5.9 102 102 A H E - d 0 127A 8 24,-2.1 26,-1.2 -2,-0.4 27,-0.6 -0.993 21.9-148.4-123.8 139.8 27.3 48.4 -7.9 103 103 A L S S+ 0 0 19 -2,-0.4 27,-2.0 24,-0.2 2,-0.2 0.913 86.9 47.5 -63.5 -40.5 28.8 51.1 -10.2 104 104 A T S S- 0 0 19 24,-0.2 2,-0.9 25,-0.1 24,-0.6 -0.523 96.8-101.4-104.3 164.2 25.9 53.4 -9.4 105 105 A N > - 0 0 74 23,-0.2 3,-1.6 22,-0.2 -2,-0.1 -0.770 30.6-166.3 -83.8 106.0 24.2 54.4 -6.2 106 106 A I T 3 S+ 0 0 7 -2,-0.9 3,-0.4 1,-0.3 -1,-0.1 0.554 83.8 64.1 -77.2 -6.0 21.0 52.2 -6.2 107 107 A Q T 3 S+ 0 0 133 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.517 103.3 51.4 -80.2 -10.6 19.4 54.3 -3.4 108 108 A A S < S+ 0 0 75 -3,-1.6 -1,-0.2 5,-0.1 2,-0.2 -0.012 101.3 59.2-123.6 22.2 19.4 57.3 -5.8 109 109 A R S S- 0 0 48 -3,-0.4 5,-0.1 1,-0.4 -3,-0.0 -0.344 99.7 -19.0-128.3-149.9 17.7 56.1 -9.0 110 110 A E > - 0 0 65 -2,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.147 62.1-115.4 -61.0 156.9 14.3 54.6 -9.9 111 111 A E G > S+ 0 0 145 1,-0.3 3,-1.4 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103.3-123.0-123.5 -8.8 16.5 22.0 4.6 182 23 B G - 0 0 29 -5,-0.4 -8,-0.7 1,-0.1 -6,-0.3 -0.292 27.2 -86.6 85.9-176.6 17.9 18.7 6.1 183 24 B M S S+ 0 0 110 -5,-0.2 2,-0.2 -10,-0.1 -1,-0.1 0.351 85.7 110.2-122.4 3.2 20.9 16.6 5.0 184 25 B V - 0 0 53 -3,-0.2 2,-0.2 -6,-0.1 -9,-0.1 -0.529 64.6-128.6 -65.4 140.9 19.3 14.3 2.4 185 26 B T > - 0 0 28 -2,-0.2 4,-2.4 -11,-0.2 5,-0.2 -0.544 17.7-111.9 -94.1 163.3 20.3 15.0 -1.2 186 27 B L H > S+ 0 0 11 -13,-0.5 4,-2.2 -16,-0.2 5,-0.2 0.912 120.9 53.9 -56.9 -43.4 18.3 15.6 -4.3 187 28 B D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 107.6 50.4 -59.1 -44.5 19.6 12.3 -5.6 188 29 B Q H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 107.6 52.7 -59.5 -43.5 18.4 10.6 -2.5 189 30 B I H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.916 109.4 49.6 -58.5 -41.6 14.9 12.1 -2.7 190 31 B H H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.861 107.8 53.2 -67.0 -36.2 14.6 10.8 -6.2 191 32 B E H X S+ 0 0 119 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.911 108.0 52.4 -58.4 -45.9 15.7 7.3 -5.1 192 33 B I H X S+ 0 0 74 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.812 108.2 50.0 -60.5 -35.7 12.9 7.5 -2.5 193 34 B M H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.910 109.8 50.2 -70.1 -45.6 10.4 8.3 -5.1 194 35 B Q H X S+ 0 0 65 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.861 111.4 49.7 -56.0 -41.3 11.5 5.4 -7.3 195 36 B T H X S+ 0 0 70 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.763 105.9 55.1 -72.2 -29.5 11.2 3.2 -4.3 196 37 B F H X S+ 0 0 71 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.860 112.3 44.8 -72.6 -34.7 7.7 4.4 -3.5 197 38 B V H X>S+ 0 0 8 -4,-1.9 5,-2.1 2,-0.2 4,-0.6 0.977 115.0 46.1 -67.4 -58.5 6.8 3.4 -7.1 198 39 B K H ><5S+ 0 0 130 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.888 115.3 47.3 -48.9 -49.6 8.5 -0.0 -7.1 199 40 B Q H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.9 46.2 -65.9 -37.2 7.0 -0.9 -3.6 200 41 B G H 3<5S- 0 0 46 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.451 106.3-128.8 -81.7 0.9 3.5 0.2 -4.7 201 42 B N T <<5 + 0 0 147 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.851 46.8 171.7 46.9 41.3 3.9 -1.7 -7.9 202 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23.2 -13.5 212 53 B N S S+ 0 0 2 -2,-0.3 2,-0.5 -44,-0.2 -153,-0.2 0.343 76.1 96.3 -96.8 3.5 18.9 26.7 -12.3 213 54 B F > - 0 0 19 1,-0.2 4,-1.3 -157,-0.1 5,-0.1 -0.831 61.0-156.6-103.3 124.8 17.6 28.2 -15.6 214 55 B E H > S+ 0 0 20 -2,-0.5 4,-2.1 1,-0.2 3,-0.4 0.934 98.8 53.2 -58.5 -46.4 14.2 29.6 -15.9 215 56 B G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.816 104.6 54.3 -61.9 -34.3 14.3 29.0 -19.7 216 57 B E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.832 107.7 50.9 -66.4 -33.1 15.2 25.3 -19.3 217 58 B I H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.914 113.4 44.2 -69.3 -45.8 12.2 24.8 -17.1 218 59 B I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.921 112.7 52.2 -63.0 -47.1 9.9 26.4 -19.6 219 60 B D H X S+ 0 0 64 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.962 112.1 47.7 -49.1 -52.9 11.7 24.4 -22.5 220 61 B K H X S+ 0 0 30 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.824 111.8 46.9 -61.0 -41.4 11.1 21.2 -20.5 221 62 B I H < S+ 0 0 1 -4,-2.1 4,-0.2 2,-0.2 -1,-0.2 0.882 115.1 47.8 -69.2 -41.6 7.4 21.9 -19.8 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