==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-AUG-12 4B6O . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.OTERO,A.L.LLAMAS-SAIZ,E.LENCE,L.TIZON,A.PEON,V.F.V.PRAZE . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 14.8 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 . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 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 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 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 2 A E 0 0 147 0, 0.0 44,-0.1 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 145.1 -30.0 -13.3 11.9 2 3 A L + 0 0 110 42,-0.1 43,-2.6 1,-0.0 2,-0.3 0.845 360.0 95.2 -73.9 -35.2 -33.3 -14.8 12.9 3 4 A I E +a 45 0A 50 41,-0.2 2,-0.4 43,-0.1 43,-0.2 -0.463 39.1 168.2 -88.7 127.1 -35.4 -14.3 9.7 4 5 A V E -a 46 0A 2 41,-2.6 43,-2.5 -2,-0.3 2,-0.5 -0.992 24.0-141.9-127.7 133.8 -35.9 -16.8 6.9 5 6 A N E -ab 47 71A 20 65,-2.4 67,-3.0 -2,-0.4 2,-0.6 -0.826 9.9-166.0 -96.8 125.5 -38.4 -16.4 4.2 6 7 A V E -ab 48 72A 0 41,-2.8 43,-2.9 -2,-0.5 2,-0.5 -0.970 12.8-172.1-109.3 118.8 -40.2 -19.5 2.9 7 8 A I E -ab 49 73A 3 65,-3.0 67,-2.4 -2,-0.6 2,-0.4 -0.951 6.9-168.5-120.5 121.2 -42.0 -18.8 -0.3 8 9 A N E -ab 50 74A 0 41,-3.2 43,-2.2 -2,-0.5 67,-0.2 -0.910 9.7-157.3-113.1 136.3 -44.4 -21.2 -2.0 9 10 A G > - 0 0 0 65,-3.0 3,-1.7 -2,-0.4 4,-0.3 0.093 45.0 -17.5 -97.4-156.8 -45.6 -20.6 -5.6 10 11 A P T 3 S+ 0 0 21 0, 0.0 67,-0.5 0, 0.0 -1,-0.2 -0.113 124.2 5.2 -58.3 140.9 -48.6 -21.8 -7.6 11 12 A N T > S+ 0 0 109 65,-0.1 3,-2.2 -3,-0.1 41,-0.1 0.199 91.3 112.8 75.1 -10.1 -50.7 -24.7 -6.5 12 13 A L G X + 0 0 16 -3,-1.7 3,-1.2 1,-0.3 -1,-0.1 0.743 68.7 66.3 -66.6 -20.3 -48.8 -25.1 -3.2 13 14 A G G 3 S+ 0 0 16 -4,-0.3 15,-0.3 1,-0.2 -1,-0.3 0.522 89.4 70.1 -71.8 -4.9 -52.0 -24.1 -1.4 14 15 A R G X> + 0 0 142 -3,-2.2 3,-1.8 13,-0.1 4,-0.6 0.403 66.2 129.6 -92.7 -0.0 -53.5 -27.3 -2.7 15 16 A L T <4 S+ 0 0 13 -3,-1.2 13,-0.7 1,-0.2 9,-0.2 -0.304 77.2 11.9 -57.7 138.4 -51.4 -29.7 -0.5 16 17 A G T 34 S+ 0 0 16 7,-2.5 9,-0.4 11,-0.2 -1,-0.2 0.337 102.7 95.9 82.1 -5.9 -53.6 -32.2 1.4 17 18 A R T <4 S+ 0 0 169 -3,-1.8 2,-0.2 6,-0.3 -2,-0.1 0.924 71.1 63.0 -88.8 -43.8 -56.8 -31.5 -0.6 18 19 A R S < S- 0 0 159 -4,-0.6 -2,-0.1 5,-0.2 7,-0.1 -0.530 112.6 -50.1 -82.6 150.1 -56.7 -34.3 -3.3 19 20 A E > - 0 0 133 1,-0.2 2,-3.4 -2,-0.2 3,-2.7 0.288 53.2-120.6 -20.5 110.6 -56.8 -38.0 -2.4 20 21 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 -0.232 103.3 82.8 -56.7 50.1 -54.3 -39.0 0.4 21 22 A A T 3 S+ 0 0 87 -2,-3.4 -2,-0.1 -3,-0.1 -3,-0.0 0.416 102.1 32.9 -95.8 -32.9 -52.7 -41.5 -2.0 22 23 A V S < S- 0 0 60 -3,-2.7 2,-3.5 -4,-0.1 -3,-0.0 0.370 134.0 -26.7-101.1-140.4 -50.8 -38.5 -3.3 23 24 A Y S S+ 0 0 101 2,-0.1 -7,-2.5 -3,-0.0 2,-0.3 -0.321 104.0 132.0 -77.9 58.1 -49.3 -35.1 -1.9 24 25 A G + 0 0 24 -2,-3.5 2,-0.8 -9,-0.2 -5,-0.1 -0.734 34.8 43.1-124.4 160.8 -52.2 -35.6 0.6 25 26 A G S S+ 0 0 51 -9,-0.4 2,-0.2 -2,-0.3 -2,-0.1 -0.851 93.8 75.5 98.5 -91.9 -52.4 -35.5 4.3 26 27 A T - 0 0 51 -2,-0.8 -9,-0.1 4,-0.1 2,-0.1 -0.377 69.2-156.1 -68.7 120.6 -50.3 -32.4 5.1 27 28 A T > - 0 0 60 -2,-0.2 4,-2.4 -11,-0.2 -11,-0.2 -0.413 31.2-107.1 -84.0 166.1 -52.2 -29.2 4.3 28 29 A H H > S+ 0 0 23 -13,-0.7 4,-2.6 -15,-0.3 5,-0.2 0.921 123.0 52.9 -60.9 -40.8 -50.5 -25.9 3.5 29 30 A D H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 109.9 48.5 -60.0 -43.4 -51.6 -24.6 7.0 30 31 A E H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 109.1 53.5 -61.1 -40.8 -50.0 -27.7 8.6 31 32 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 107.2 51.0 -60.5 -45.0 -46.8 -27.1 6.5 32 33 A V H X S+ 0 0 30 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.929 111.0 48.8 -56.7 -47.2 -46.6 -23.6 7.9 33 34 A A H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 111.1 49.3 -60.3 -46.7 -47.0 -24.9 11.5 34 35 A L H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.910 113.9 46.9 -57.7 -43.8 -44.3 -27.5 11.0 35 36 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.935 111.3 49.5 -65.7 -49.2 -42.0 -24.9 9.5 36 37 A E H X S+ 0 0 100 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.928 112.6 48.3 -57.1 -43.8 -42.6 -22.4 12.2 37 38 A R H X S+ 0 0 163 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 113.0 46.4 -62.9 -46.8 -42.0 -25.0 14.9 38 39 A E H X S+ 0 0 22 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.918 110.9 53.7 -64.1 -42.1 -38.8 -26.2 13.4 39 40 A A H <>S+ 0 0 0 -4,-3.0 5,-3.2 2,-0.2 4,-0.3 0.921 108.4 48.9 -59.4 -43.5 -37.5 -22.7 12.9 40 41 A A H ><5S+ 0 0 70 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.923 108.7 53.1 -63.8 -43.2 -38.1 -21.8 16.6 41 42 A E H 3<5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.9 47.7 -57.2 -33.5 -36.2 -25.0 17.6 42 43 A L T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.418 120.0-109.3 -87.1 -1.3 -33.4 -23.8 15.4 43 44 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.764 82.3 114.1 75.8 25.8 -33.4 -20.2 16.8 44 45 A L < - 0 0 23 -5,-3.2 2,-0.5 -6,-0.2 -1,-0.3 -0.740 62.6-132.5-116.2 168.0 -34.8 -18.7 13.5 45 46 A K E -a 3 0A 135 -43,-2.6 -41,-2.6 -2,-0.3 2,-0.4 -0.994 21.6-154.1-118.6 121.4 -38.1 -17.0 12.6 46 47 A A E -a 4 0A 9 -2,-0.5 2,-0.6 -43,-0.2 -41,-0.2 -0.827 5.9-161.9 -97.1 133.4 -39.7 -18.4 9.5 47 48 A V E -a 5 0A 33 -43,-2.5 -41,-2.8 -2,-0.4 2,-0.5 -0.969 17.2-164.4-109.4 106.8 -42.0 -16.1 7.5 48 49 A V E +a 6 0A 11 -2,-0.6 2,-0.3 -43,-0.2 -41,-0.2 -0.860 13.2 170.3-105.2 126.7 -44.0 -18.5 5.3 49 50 A R E -a 7 0A 119 -43,-2.9 -41,-3.2 -2,-0.5 2,-0.4 -0.978 11.8-170.0-134.4 146.9 -46.0 -17.2 2.3 50 51 A Q E +a 8 0A 53 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.996 10.9 166.2-136.4 139.7 -47.8 -18.8 -0.6 51 52 A S - 0 0 19 -43,-2.2 -39,-0.2 -2,-0.4 -2,-0.0 -0.982 36.2-152.5-150.4 144.7 -49.3 -17.3 -3.8 52 53 A D S S+ 0 0 106 -2,-0.3 2,-0.6 -42,-0.2 -43,-0.1 0.410 80.3 91.7 -83.4 -3.6 -50.6 -18.4 -7.2 53 54 A S > - 0 0 57 1,-0.1 4,-2.2 -44,-0.1 3,-0.4 -0.858 63.9-156.5-101.5 116.3 -49.6 -15.0 -8.6 54 55 A E H > S+ 0 0 67 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.868 96.5 57.3 -54.8 -39.8 -46.1 -14.6 -10.1 55 56 A A H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 106.6 48.4 -60.6 -39.8 -46.3 -10.8 -9.4 56 57 A Q H > S+ 0 0 68 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.897 110.9 50.1 -66.8 -42.0 -46.9 -11.5 -5.7 57 58 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 108.8 52.9 -60.3 -45.6 -44.0 -13.9 -5.6 58 59 A L H X S+ 0 0 36 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.900 107.5 51.9 -57.1 -40.7 -41.8 -11.3 -7.3 59 60 A D H X S+ 0 0 72 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.929 109.5 48.8 -65.9 -40.6 -42.7 -8.8 -4.6 60 61 A W H X S+ 0 0 42 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.879 111.9 49.3 -64.1 -39.4 -41.8 -11.1 -1.8 61 62 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.938 109.1 52.5 -64.6 -44.9 -38.5 -11.9 -3.5 62 63 A H H X S+ 0 0 73 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.898 108.2 51.4 -55.7 -44.8 -37.8 -8.1 -3.9 63 64 A Q H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 109.6 49.0 -62.4 -39.2 -38.4 -7.6 -0.2 64 65 A A H X>S+ 0 0 1 -4,-1.8 5,-2.1 2,-0.2 4,-0.7 0.873 110.7 51.8 -67.2 -37.9 -35.9 -10.4 0.6 65 66 A A H ><5S+ 0 0 15 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.947 111.6 45.8 -58.6 -50.9 -33.4 -8.8 -1.7 66 67 A D H 3<5S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.855 118.1 42.5 -64.3 -33.1 -33.8 -5.4 -0.1 67 68 A A H 3<5S- 0 0 50 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.451 104.3-127.5 -92.2 -3.5 -33.6 -6.9 3.5 68 69 A A T <<5 + 0 0 55 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.908 56.0 154.5 56.4 44.1 -30.7 -9.3 2.6 69 70 A E < - 0 0 31 -5,-2.1 25,-0.3 -6,-0.1 -1,-0.2 -0.830 46.3-109.3-104.0 143.6 -32.7 -12.2 4.0 70 71 A P - 0 0 20 0, 0.0 -65,-2.4 0, 0.0 2,-0.4 -0.315 31.7-148.9 -64.9 155.5 -32.4 -15.8 3.0 71 72 A V E -bc 5 96A 0 24,-2.3 26,-2.5 -67,-0.2 2,-0.6 -0.992 16.4-163.0-133.3 130.3 -35.1 -17.5 0.9 72 73 A I E -bc 6 97A 0 -67,-3.0 -65,-3.0 -2,-0.4 2,-0.5 -0.980 30.1-169.0-106.5 116.0 -36.3 -21.1 0.7 73 74 A L E +bc 7 98A 1 24,-2.7 26,-2.5 -2,-0.6 2,-0.5 -0.955 31.1 174.4-122.6 124.4 -38.3 -21.2 -2.5 74 75 A N E -b 8 0A 7 -67,-2.4 -65,-3.0 -2,-0.5 -62,-0.1 -0.900 12.7-179.2-117.4 94.9 -40.7 -23.7 -4.0 75 76 A A > - 0 0 0 -2,-0.5 3,-1.4 1,-0.2 4,-0.1 0.361 21.5-151.6 -81.2 5.5 -41.9 -21.9 -7.1 76 77 A G G > S- 0 0 13 1,-0.3 3,-2.0 -67,-0.2 4,-0.3 -0.284 71.2 -8.3 57.2-140.4 -44.2 -24.7 -8.2 77 78 A G G > S+ 0 0 36 -67,-0.5 3,-1.4 1,-0.3 4,-0.5 0.758 128.7 70.3 -59.5 -26.5 -44.7 -24.8 -12.0 78 79 A L G X> S+ 0 0 29 -3,-1.4 4,-2.4 1,-0.3 3,-0.6 0.724 81.2 76.3 -66.8 -20.4 -42.9 -21.5 -12.4 79 80 A T G <4 S+ 0 0 0 -3,-2.0 36,-2.5 1,-0.2 37,-0.5 0.899 103.1 37.6 -46.5 -43.0 -39.7 -23.4 -11.5 80 81 A H G <4 S+ 0 0 25 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.570 130.2 25.7 -92.1 -11.4 -39.8 -24.8 -15.0 81 82 A T T <4 S+ 0 0 92 -3,-0.6 2,-0.8 -4,-0.5 -2,-0.2 0.627 88.1 94.5-130.4 -24.3 -41.0 -21.7 -16.9 82 83 A S X + 0 0 7 -4,-2.4 4,-1.1 1,-0.2 -1,-0.1 -0.726 25.4 169.5 -99.1 110.2 -40.3 -18.3 -15.4 83 84 A V H > S+ 0 0 67 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.841 84.5 63.0 -73.7 -35.5 -37.2 -16.2 -16.3 84 85 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 102.1 49.0 -56.1 -39.2 -38.8 -13.3 -14.4 85 86 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 111.1 50.1 -69.7 -40.6 -38.6 -15.2 -11.2 86 87 A R H X S+ 0 0 76 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.921 108.3 53.0 -57.4 -48.3 -34.9 -16.1 -11.9 87 88 A D H < S+ 0 0 103 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.899 112.5 44.7 -54.0 -47.5 -34.1 -12.4 -12.6 88 89 A A H >< S+ 0 0 7 -4,-2.0 3,-1.2 -5,-0.2 4,-0.3 0.918 113.2 50.6 -63.9 -44.6 -35.6 -11.4 -9.2 89 90 A C H >< S+ 0 0 4 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.824 98.2 66.3 -64.3 -31.8 -33.8 -14.3 -7.4 90 91 A A T 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.700 94.3 62.5 -64.1 -18.0 -30.4 -13.4 -9.0 91 92 A E T < S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.2 0.651 77.8 107.8 -76.7 -19.8 -30.7 -10.1 -6.9 92 93 A L < - 0 0 22 -3,-1.7 -27,-0.1 -4,-0.3 4,-0.1 -0.454 46.2-173.1 -69.3 131.0 -30.7 -12.0 -3.6 93 94 A S + 0 0 96 -28,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.735 69.1 68.2 -91.4 -29.5 -27.4 -11.6 -1.6 94 95 A A S S- 0 0 19 -25,-0.3 -25,-0.1 -30,-0.2 -23,-0.1 -0.415 105.5 -67.7 -82.1 165.9 -28.3 -14.1 1.1 95 96 A P - 0 0 45 0, 0.0 -24,-2.3 0, 0.0 2,-0.5 -0.161 40.6-156.2 -58.2 148.1 -28.7 -17.8 0.4 96 97 A L E -c 71 0A 6 -26,-0.2 25,-2.7 23,-0.1 26,-1.1 -0.997 6.8-168.3-124.0 119.3 -31.5 -19.2 -1.9 97 98 A I E -cd 72 122A 8 -26,-2.5 -24,-2.7 -2,-0.5 2,-0.5 -0.961 11.8-148.0-111.6 118.7 -32.4 -22.8 -1.3 98 99 A E E -cd 73 123A 3 24,-2.5 26,-2.7 -2,-0.6 2,-0.4 -0.751 20.3-171.6 -82.2 127.6 -34.7 -24.3 -4.0 99 100 A V E + d 0 124A 0 -26,-2.5 2,-0.4 -2,-0.5 26,-0.2 -0.978 14.7 178.6-124.7 136.6 -37.1 -26.9 -2.6 100 101 A H E - d 0 125A 8 24,-2.3 26,-0.9 -2,-0.4 27,-0.6 -0.999 20.5-152.2-128.9 137.5 -39.5 -29.4 -4.2 101 102 A I S S+ 0 0 26 -2,-0.4 27,-1.9 24,-0.2 -1,-0.1 0.954 83.5 53.9 -66.7 -51.1 -41.6 -31.9 -2.3 102 103 A S S S- 0 0 27 25,-0.1 24,-1.2 24,-0.1 2,-1.2 -0.343 99.8-101.3 -81.9 161.5 -41.7 -34.4 -5.2 103 104 A N > - 0 0 76 23,-0.3 3,-2.1 22,-0.2 -1,-0.1 -0.749 33.6-165.5 -82.4 98.2 -38.7 -35.8 -7.1 104 105 A V T 3 S+ 0 0 12 -2,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.580 82.9 61.7 -65.0 -11.2 -38.8 -33.6 -10.1 105 106 A H T 3 S+ 0 0 96 1,-0.2 -1,-0.3 7,-0.1 7,-0.1 0.470 93.5 63.2 -90.6 -4.8 -36.4 -36.0 -11.9 106 107 A A S < S+ 0 0 71 -3,-2.1 -1,-0.2 5,-0.1 -2,-0.1 0.064 102.9 47.6-106.9 21.6 -38.8 -39.0 -11.7 107 108 A R S S- 0 0 92 -3,-0.5 2,-0.1 1,-0.3 -3,-0.1 -0.204 105.2 -11.8-134.0-139.8 -41.6 -37.5 -13.9 108 109 A E > - 0 0 84 1,-0.1 3,-1.5 -2,-0.1 4,-0.4 -0.368 63.1-117.5 -71.1 153.7 -41.8 -35.7 -17.3 109 110 A E G > S+ 0 0 147 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.839 111.2 63.9 -60.4 -38.0 -38.6 -34.5 -18.9 110 111 A F G > S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.759 95.3 60.7 -60.9 -23.4 -39.7 -30.8 -18.7 111 112 A R G < S+ 0 0 58 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.656 88.9 71.5 -76.4 -12.9 -39.7 -31.0 -14.9 112 113 A R G < S+ 0 0 114 -3,-1.8 2,-0.5 -4,-0.4 -1,-0.2 0.500 87.6 78.0 -81.9 -2.0 -35.9 -31.9 -14.9 113 114 A H < + 0 0 98 -3,-0.9 2,-0.4 -4,-0.2 3,-0.0 -0.937 58.2 179.5-110.2 133.5 -35.2 -28.3 -15.9 114 115 A S - 0 0 13 -2,-0.5 -34,-0.2 1,-0.1 -35,-0.1 -0.997 25.9-156.3-130.4 126.5 -35.3 -25.4 -13.5 115 116 A Y S S+ 0 0 72 -36,-2.5 4,-0.2 -2,-0.4 -35,-0.1 0.690 98.7 51.7 -66.3 -17.3 -34.5 -21.8 -14.2 116 117 A L S >> S+ 0 0 2 -37,-0.5 3,-1.4 1,-0.1 4,-1.4 0.807 87.5 75.2 -93.0 -33.8 -33.7 -21.4 -10.5 117 118 A S T 34 S+ 0 0 45 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.869 91.3 56.8 -54.2 -39.4 -31.2 -24.2 -9.8 118 119 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.794 116.5 35.5 -67.0 -22.2 -28.2 -22.5 -11.5 119 120 A I T <4 S+ 0 0 57 -3,-1.4 -2,-0.2 -4,-0.2 -23,-0.1 0.514 98.9 97.2-106.1 -7.4 -28.6 -19.4 -9.3 120 121 A A S < S- 0 0 15 -4,-1.4 -23,-0.2 -3,-0.4 3,-0.1 -0.413 76.4-129.1 -72.9 153.2 -29.6 -21.1 -6.1 121 122 A T S S- 0 0 78 -25,-2.7 2,-0.3 1,-0.3 -24,-0.2 0.941 85.7 -25.8 -61.3 -50.7 -27.1 -22.0 -3.3 122 123 A G E -d 97 0A 28 -26,-1.1 -24,-2.5 2,-0.0 2,-0.4 -0.937 60.2-127.5-157.2-179.0 -28.5 -25.5 -3.4 123 124 A V E -d 98 0A 65 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.996 9.6-169.4-143.2 132.6 -31.5 -27.7 -4.2 124 125 A I E +d 99 0A 35 -26,-2.7 -24,-2.3 -2,-0.4 2,-0.3 -0.995 18.7 167.3-124.8 124.7 -33.5 -30.3 -2.3 125 126 A V E +d 100 0A 31 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.976 53.1 18.8-134.2 151.8 -36.0 -32.4 -4.1 126 127 A G S S+ 0 0 33 -24,-1.2 -23,-0.3 -26,-0.9 -25,-0.2 0.431 83.5 106.5 80.8 1.8 -38.0 -35.5 -3.4 127 128 A L S > S- 0 0 100 -27,-0.6 3,-0.6 1,-0.3 4,-0.4 0.118 76.8-133.5-100.6 20.1 -37.7 -35.5 0.4 128 129 A G T > - 0 0 23 -27,-1.9 3,-1.7 1,-0.2 4,-0.3 -0.116 61.0 -27.1 64.5-159.0 -41.3 -34.4 0.9 129 130 A I T >> S+ 0 0 29 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.805 129.5 73.6 -62.8 -25.9 -42.2 -31.7 3.3 130 131 A Q H <> S+ 0 0 119 -3,-0.6 4,-2.8 1,-0.3 -1,-0.3 0.799 79.0 76.1 -59.9 -23.6 -39.1 -32.5 5.4 131 132 A G H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.4 -1,-0.3 0.878 93.1 51.1 -54.0 -38.9 -37.1 -30.8 2.6 132 133 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.890 110.1 48.8 -61.4 -45.5 -38.2 -27.4 3.9 133 134 A L H X S+ 0 0 20 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.869 110.8 51.1 -64.2 -36.8 -37.1 -28.4 7.4 134 135 A L H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.892 108.0 51.9 -69.5 -35.4 -33.7 -29.5 6.1 135 136 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.908 107.5 53.2 -62.9 -42.0 -33.3 -26.3 4.3 136 137 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.908 108.5 49.8 -59.3 -43.6 -34.0 -24.4 7.5 137 138 A R H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.866 107.3 53.8 -66.1 -39.5 -31.3 -26.5 9.2 138 139 A Y H X S+ 0 0 83 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.965 111.1 46.5 -51.7 -54.0 -28.8 -25.7 6.5 139 140 A L H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 110.0 53.5 -62.7 -34.7 -29.5 -22.0 7.0 140 141 A A H < S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.882 110.9 46.0 -67.1 -40.7 -29.2 -22.3 10.8 141 142 A E H < 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.584 360.0 360.0 -80.3 -10.3 -25.8 -23.9 10.6 142 143 A H < 0 0 157 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.166 360.0 360.0-110.3 360.0 -24.6 -21.3 8.1