==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-FEB-09 3GDE . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR D.J.KIM,H.-W.KIM,O.KIM,H.S.KIM,S.J.LEE,S.W.SUH . 551 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 18.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 1 0 2 1 8 1 3 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 5 0 2 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 0 2 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 G 0 0 127 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.6 14.9 -28.0 61.3 2 -1 A S + 0 0 117 2,-0.1 2,-0.2 0, 0.0 36,-0.2 0.692 360.0 94.0 -80.8 -24.7 11.9 -26.9 59.2 3 0 A H S S- 0 0 84 1,-0.1 2,-0.1 38,-0.0 0, 0.0 -0.513 85.4-106.4 -72.4 136.2 13.2 -27.8 55.7 4 1 A M - 0 0 14 -2,-0.2 113,-2.5 112,-0.1 114,-0.5 -0.412 29.7-133.1 -61.8 129.4 12.3 -31.3 54.4 5 2 A L B >> -A 116 0A 58 111,-0.3 3,-1.6 -2,-0.1 4,-1.4 -0.691 13.0-129.5 -76.8 139.0 15.2 -33.7 54.4 6 3 A F H 3> S+ 0 0 0 109,-3.3 4,-3.3 -2,-0.3 110,-0.1 0.843 110.4 66.7 -53.6 -33.5 15.6 -35.6 51.1 7 4 A A H 3> S+ 0 0 5 108,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.759 95.5 52.9 -58.7 -31.6 15.7 -38.6 53.5 8 5 A E H <> S+ 0 0 106 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.937 113.9 43.0 -68.6 -46.0 12.1 -38.0 54.5 9 6 A F H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.902 113.2 53.5 -58.9 -44.9 11.2 -38.1 50.7 10 7 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.909 109.0 46.9 -61.3 -46.0 13.5 -41.1 50.2 11 8 A E H X S+ 0 0 70 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.853 110.9 53.6 -64.4 -38.3 11.8 -43.2 52.9 12 9 A F H X S+ 0 0 21 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.914 110.4 46.8 -58.9 -44.9 8.5 -42.2 51.5 13 10 A C H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 3,-0.4 0.879 106.2 58.0 -65.9 -41.2 9.6 -43.5 48.0 14 11 A E H >< S+ 0 0 70 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.895 104.8 51.4 -55.7 -42.9 11.0 -46.7 49.4 15 12 A R H >< S+ 0 0 120 -4,-1.5 3,-0.6 1,-0.2 4,-0.4 0.792 103.6 59.1 -66.3 -29.1 7.6 -47.6 50.8 16 13 A L H >< S+ 0 0 0 -4,-1.0 3,-0.7 -3,-0.4 -1,-0.2 0.722 89.9 72.2 -71.2 -24.0 5.9 -46.9 47.4 17 14 A E T << S+ 0 0 71 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.818 95.6 51.4 -60.5 -33.3 8.1 -49.6 45.8 18 15 A K T < S+ 0 0 181 -3,-0.6 2,-0.5 -4,-0.5 -1,-0.2 0.708 94.3 88.4 -74.9 -22.3 6.1 -52.3 47.5 19 16 A I < + 0 0 12 -3,-0.7 -3,-0.0 -4,-0.4 6,-0.0 -0.684 42.8 169.0 -92.0 122.1 2.8 -50.9 46.3 20 17 A S + 0 0 105 -2,-0.5 2,-0.3 5,-0.0 -1,-0.2 0.673 47.3 101.1-102.9 -22.2 1.5 -52.1 43.0 21 18 A S > - 0 0 45 1,-0.1 4,-2.4 2,-0.0 5,-0.1 -0.512 61.1-150.7 -71.0 127.1 -2.0 -50.7 43.0 22 19 A T H > S+ 0 0 52 -2,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.833 98.5 48.5 -61.9 -40.5 -2.4 -47.5 41.0 23 20 A L H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 111.3 49.8 -67.9 -43.7 -5.2 -46.2 43.3 24 21 A E H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 111.3 49.1 -60.9 -43.9 -3.2 -47.0 46.4 25 22 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.929 110.5 51.4 -59.3 -48.3 -0.1 -45.1 44.9 26 23 A T H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 112.9 45.0 -52.9 -46.6 -2.4 -42.1 44.1 27 24 A A H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 112.9 49.2 -72.5 -42.8 -3.8 -42.0 47.7 28 25 A R H X S+ 0 0 114 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.915 113.9 46.9 -56.8 -46.1 -0.4 -42.4 49.4 29 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.881 110.6 51.4 -68.2 -41.1 1.1 -39.7 47.2 30 27 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.929 109.0 51.5 -57.7 -49.8 -1.8 -37.3 47.8 31 28 A A H X S+ 0 0 39 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.902 112.2 46.3 -54.1 -47.4 -1.5 -37.7 51.6 32 29 A F H >< S+ 0 0 28 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.921 111.8 50.2 -60.2 -49.2 2.2 -36.9 51.5 33 30 A L H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.851 103.2 61.6 -59.6 -39.4 1.8 -33.8 49.2 34 31 A Q H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.686 100.8 53.0 -58.3 -25.4 -1.0 -32.4 51.5 35 32 A K T << S+ 0 0 148 -3,-1.1 2,-0.6 -4,-0.5 -1,-0.2 0.360 81.7 102.1-102.2 2.5 1.3 -32.1 54.5 36 33 A I < + 0 0 10 -3,-1.3 -3,-0.0 -4,-0.2 6,-0.0 -0.793 40.2 173.2 -87.9 121.4 4.1 -30.1 52.8 37 34 A E + 0 0 145 -2,-0.6 2,-0.6 1,-0.0 -1,-0.2 0.789 57.3 82.7 -97.6 -34.9 3.8 -26.4 53.7 38 35 A D S >> S- 0 0 54 -36,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.629 72.2-149.6 -75.4 118.6 7.0 -25.1 52.1 39 36 A E H 3> S+ 0 0 84 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.709 92.3 52.2 -70.1 -21.7 6.0 -24.5 48.5 40 37 A R H 3> S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.770 107.5 50.9 -85.4 -27.4 9.5 -25.2 47.1 41 38 A D H <> S+ 0 0 4 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.845 112.3 49.9 -67.0 -37.3 9.8 -28.6 48.9 42 39 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.965 112.0 46.7 -61.7 -53.9 6.3 -29.3 47.3 43 40 A Y H X S+ 0 0 54 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.934 115.3 45.8 -50.7 -54.7 7.6 -28.2 43.9 44 41 A D H X S+ 0 0 2 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.910 111.1 52.0 -61.1 -42.8 10.8 -30.2 44.2 45 42 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.896 109.0 50.5 -62.1 -40.3 8.9 -33.3 45.5 46 43 A V H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.941 117.4 39.6 -65.5 -47.5 6.5 -33.3 42.6 47 44 A L H ><>S+ 0 0 6 -4,-2.2 5,-1.7 -5,-0.2 3,-1.6 0.986 115.8 51.3 -58.6 -59.7 9.3 -33.1 40.0 48 45 A F H ><5S+ 0 0 1 -4,-3.4 3,-1.8 1,-0.3 -2,-0.2 0.812 103.3 56.7 -53.3 -40.5 11.6 -35.5 41.9 49 46 A I H 3<5S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.3 121,-0.2 0.792 105.6 53.2 -65.2 -24.8 9.1 -38.3 42.2 50 47 A T T <<5S- 0 0 27 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.327 122.1-106.9 -87.6 6.1 8.6 -38.3 38.4 51 48 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.704 81.2 126.1 72.4 22.5 12.4 -38.7 37.9 52 49 A K < + 0 0 29 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.910 36.8 173.9-115.6 141.6 12.7 -35.0 36.8 53 50 A V S S+ 0 0 8 1,-0.4 -1,-0.1 -2,-0.4 -5,-0.1 0.712 81.6 15.1-105.0 -37.9 15.0 -32.3 38.0 54 51 A Y S S- 0 0 21 -7,-0.1 -1,-0.4 4,-0.1 8,-0.1 -0.951 86.0-101.8-130.8 150.4 14.0 -29.7 35.3 55 52 A P > - 0 0 8 0, 0.0 3,-0.8 0, 0.0 144,-0.1 -0.423 38.4-118.3 -59.7 148.4 11.1 -29.5 32.8 56 53 A P T 3 S+ 0 0 63 0, 0.0 220,-0.5 0, 0.0 218,-0.0 0.827 113.5 54.6 -64.9 -30.5 12.4 -30.6 29.3 57 54 A W T 3 S+ 0 0 41 141,-0.2 2,-0.2 218,-0.2 217,-0.1 0.664 86.3 98.2 -76.8 -20.4 11.6 -27.1 27.8 58 55 A D S < S- 0 0 28 -3,-0.8 218,-0.2 1,-0.1 -4,-0.1 -0.478 80.1-132.6 -61.6 136.7 13.7 -25.5 30.5 59 56 A E S S+ 0 0 122 -2,-0.2 2,-0.3 216,-0.1 -1,-0.1 0.751 79.6 98.6 -68.2 -21.6 17.2 -24.7 29.1 60 57 A R + 0 0 109 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.499 46.1 170.4 -71.0 129.4 18.8 -26.2 32.2 61 58 A E - 0 0 157 67,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.983 36.0-134.8-130.7 143.1 20.0 -29.9 32.1 62 59 A L - 0 0 18 -2,-0.3 68,-0.1 2,-0.1 -1,-0.1 0.922 26.0-157.1 -59.3 -47.3 22.1 -31.6 34.8 63 60 A G + 0 0 49 1,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.858 38.8 144.5 68.4 35.7 24.5 -33.1 32.1 64 61 A V - 0 0 17 98,-0.2 -1,-0.2 4,-0.0 2,-0.2 -0.928 30.1-166.7-111.4 109.0 25.5 -35.9 34.5 65 62 A G >> - 0 0 40 -2,-0.6 3,-1.3 -3,-0.1 4,-1.3 -0.498 39.5-100.3 -86.8 162.6 26.2 -39.2 32.8 66 63 A I H 3> S+ 0 0 14 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.772 120.2 65.2 -53.2 -30.7 26.6 -42.5 34.7 67 64 A G H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.861 99.7 50.6 -61.2 -39.8 30.4 -42.2 34.3 68 65 A L H <> S+ 0 0 23 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.864 108.8 52.9 -64.0 -38.2 30.4 -39.1 36.6 69 66 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.900 106.4 53.1 -62.4 -44.0 28.3 -41.1 39.1 70 67 A Y H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.930 109.0 48.0 -55.7 -50.8 30.9 -43.9 39.1 71 68 A E H X S+ 0 0 51 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.880 112.5 48.8 -59.7 -41.8 33.8 -41.5 39.8 72 69 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.909 112.0 48.5 -64.8 -43.3 31.9 -39.9 42.7 73 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 6,-0.3 0.855 110.0 53.1 -64.9 -36.8 31.0 -43.3 44.2 74 71 A E H X S+ 0 0 39 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.932 109.0 50.3 -55.9 -52.4 34.6 -44.2 43.8 75 72 A N H < S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 116.3 38.7 -56.4 -45.9 35.7 -41.1 45.7 76 73 A V H < S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 124.8 34.6 -79.3 -34.8 33.3 -41.6 48.7 77 74 A S H < S- 0 0 5 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.659 90.6-135.1 -96.4 -21.3 33.5 -45.4 49.1 78 75 A G < + 0 0 40 -4,-2.1 2,-0.2 1,-0.3 -4,-0.1 0.172 63.4 128.7 82.0 -17.9 37.1 -46.0 48.2 79 76 A V - 0 0 22 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.468 65.0-107.8 -74.7 140.2 36.1 -49.0 46.1 80 77 A K >> - 0 0 123 -2,-0.2 4,-1.7 -3,-0.1 3,-0.8 -0.301 22.9-114.3 -72.9 154.6 37.4 -49.0 42.5 81 78 A R H 3> S+ 0 0 76 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.840 113.1 60.4 -56.9 -39.9 35.2 -48.3 39.5 82 79 A S H 3> S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.868 107.8 46.0 -56.9 -39.5 35.5 -51.8 38.1 83 80 A E H <> S+ 0 0 111 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.885 110.6 51.7 -69.5 -41.0 34.0 -53.3 41.3 84 81 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.859 109.3 52.6 -63.6 -35.8 31.2 -50.7 41.3 85 82 A E H X S+ 0 0 53 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.908 108.0 48.8 -66.5 -42.3 30.4 -51.7 37.7 86 83 A S H X S+ 0 0 52 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.861 108.0 57.1 -65.6 -32.7 30.2 -55.4 38.6 87 84 A M H X S+ 0 0 20 -4,-1.9 4,-3.5 2,-0.2 5,-0.4 0.858 100.7 55.9 -63.2 -38.2 27.9 -54.3 41.5 88 85 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.876 109.9 45.7 -62.7 -36.1 25.5 -52.6 39.0 89 86 A R H < S+ 0 0 116 -4,-1.3 400,-0.3 2,-0.2 -1,-0.2 0.754 115.9 48.1 -76.7 -26.5 25.2 -55.9 37.1 90 87 A E H < S+ 0 0 131 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.937 123.5 29.6 -73.3 -52.9 24.8 -57.8 40.5 91 88 A Y H < S- 0 0 85 -4,-3.5 -2,-0.2 2,-0.1 -3,-0.2 0.718 95.7-136.7 -84.1 -22.7 22.1 -55.4 41.9 92 89 A G S < S+ 0 0 19 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.1 0.485 79.1 66.4 80.9 4.2 20.5 -54.4 38.6 93 90 A D > - 0 0 6 -6,-0.3 4,-1.2 -5,-0.1 -2,-0.1 -0.955 68.9-144.9-159.3 131.9 20.4 -50.7 39.7 94 91 A L H > S+ 0 0 1 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.794 102.8 62.2 -69.5 -28.4 23.0 -48.1 40.4 95 92 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 104.5 46.4 -58.9 -48.6 20.7 -46.7 43.1 96 93 A L H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.795 112.7 51.2 -66.2 -29.8 20.9 -49.9 45.1 97 94 A V H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.921 108.9 49.3 -70.3 -47.5 24.6 -50.0 44.6 98 95 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.936 110.3 52.3 -56.0 -47.5 25.0 -46.4 45.9 99 96 A E H X S+ 0 0 38 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.882 111.2 47.5 -52.5 -44.0 22.9 -47.4 48.9 100 97 A Q H X S+ 0 0 51 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.900 110.8 49.9 -69.0 -43.6 25.2 -50.3 49.6 101 98 A L H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.895 114.2 44.4 -63.1 -41.7 28.4 -48.3 49.2 102 99 A I H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.875 109.8 56.1 -72.1 -35.8 27.2 -45.6 51.6 103 100 A K H X S+ 0 0 120 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.926 112.3 43.1 -57.4 -46.7 25.8 -48.2 54.1 104 101 A K H X S+ 0 0 75 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.864 114.1 52.4 -64.7 -39.1 29.3 -49.8 54.2 105 102 A K H X S+ 0 0 72 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.852 109.4 44.5 -73.1 -39.4 31.0 -46.3 54.4 106 103 A K H < S+ 0 0 64 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.793 110.3 56.9 -77.2 -26.9 29.2 -44.9 57.4 107 104 A M H < S+ 0 0 146 -4,-1.2 3,-0.3 -5,-0.3 -2,-0.2 0.895 116.3 37.3 -60.3 -40.9 29.5 -48.2 59.2 108 105 A T H < S+ 0 0 102 -4,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.906 134.7 21.2 -79.4 -43.5 33.3 -47.7 58.7 109 106 A T S < S- 0 0 89 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 -0.739 83.7-153.8-132.6 83.7 33.4 -43.9 59.2 110 107 A L + 0 0 130 -2,-0.4 2,-0.3 -3,-0.3 -3,-0.1 -0.281 28.5 146.8 -62.6 134.2 30.4 -42.7 61.1 111 108 A A - 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0 0 0 -4,-1.1 -3,-0.0 -37,-0.2 -4,-0.0 -0.444 69.6-122.8 -86.0 148.3 23.7 -38.6 52.3 151 148 A T > - 0 0 18 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.402 38.9-101.9 -71.8 161.6 22.0 -41.6 54.0 152 149 A P H > S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -50,-0.1 0.930 126.0 46.9 -51.0 -47.0 22.1 -45.0 52.1 153 150 A L H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.815 111.0 51.6 -67.6 -32.2 18.4 -44.5 51.1 154 151 A E H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.906 107.9 52.4 -65.1 -42.6 19.1 -40.9 50.1 155 152 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.847 106.3 56.0 -63.6 -35.3 22.0 -42.1 47.9 156 153 A R H X S+ 0 0 19 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.958 114.5 35.0 -58.6 -56.5 19.7 -44.6 46.3 157 154 A Y H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.718 113.4 58.7 -78.7 -22.1 17.1 -42.0 45.1 158 155 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 111.3 43.8 -63.6 -44.8 19.6 -39.3 44.4 159 156 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.932 115.1 47.1 -66.2 -47.3 21.2 -41.7 42.0 160 157 A R H <>S+ 0 0 5 -4,-2.1 5,-1.6 2,-0.2 -1,-0.2 0.837 111.1 53.5 -65.1 -33.5 17.9 -42.8 40.5 161 158 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.5 2,-0.2 -2,-0.2 0.945 108.5 47.5 -65.9 -51.3 16.8 -39.2 40.2 162 159 A I H 3<5S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.844 114.2 48.3 -56.1 -37.4 20.0 -38.2 38.2 163 160 A L T 3<5S- 0 0 31 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.421 110.3-129.6 -83.8 -1.0 19.4 -41.3 36.0 164 161 A N T < 5S+ 0 0 102 -3,-1.5 2,-0.4 -5,-0.1 -3,-0.2 0.575 77.6 102.4 61.6 15.7 15.7 -40.2 35.6 165 162 A E < + 0 0 39 -5,-1.6 -2,-0.1 1,-0.1 -114,-0.1 -0.859 38.2 173.4-129.1 100.1 14.2 -43.7 36.6 166 163 A M - 0 0 10 -2,-0.4 -1,-0.1 4,-0.2 -5,-0.1 0.722 31.8-143.7 -76.6 -25.6 12.9 -43.8 40.1 167 164 A R + 0 0 125 -7,-0.1 291,-0.1 3,-0.1 -2,-0.0 0.833 61.8 122.4 64.3 41.0 11.4 -47.3 39.7 168 165 A L S S- 0 0 9 2,-0.2 3,-0.1 -119,-0.2 -149,-0.1 0.448 81.3-114.6-107.8 -7.9 8.4 -46.6 41.9 169 166 A G S S+ 0 0 19 1,-0.2 2,-0.5 288,-0.1 290,-0.1 0.760 73.7 134.4 73.1 27.4 5.7 -47.4 39.3 170 167 A V + 0 0 15 -121,-0.2 287,-0.3 288,-0.1 -1,-0.2 -0.937 25.3 163.7-116.0 118.4 4.6 -43.7 39.3 171 168 A G > - 0 0 7 285,-1.8 4,-2.0 -2,-0.5 285,-0.2 -0.423 55.0 -75.9-115.3-163.5 4.0 -41.9 36.1 172 169 A E H > S+ 0 0 49 283,-0.9 4,-2.5 1,-0.2 284,-0.2 0.852 124.9 55.0 -64.5 -40.9 2.3 -38.7 34.9 173 170 A G H > S+ 0 0 7 282,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.908 108.7 46.1 -63.0 -47.8 -1.2 -40.1 35.3 174 171 A I H > S+ 0 0 0 282,-1.6 4,-2.5 281,-0.2 5,-0.2 0.944 113.6 50.5 -61.0 -44.9 -0.8 -41.1 38.9 175 172 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 281,-0.3 -2,-0.2 0.888 109.3 49.5 -61.3 -44.2 0.8 -37.7 39.7 176 173 A R H X S+ 0 0 60 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.935 115.6 45.1 -55.0 -48.7 -2.1 -35.7 38.0 177 174 A D H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.828 112.6 50.2 -67.5 -36.0 -4.6 -37.8 40.0 178 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.865 110.8 48.6 -72.8 -38.8 -2.6 -37.4 43.3 179 176 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.886 112.9 48.9 -66.0 -41.3 -2.4 -33.6 42.9 180 177 A A H <>S+ 0 0 4 -4,-2.1 5,-2.2 -5,-0.2 4,-0.4 0.916 113.9 46.1 -61.4 -45.6 -6.1 -33.6 42.2 181 178 A R H ><5S+ 0 0 150 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.915 113.4 49.0 -62.7 -45.8 -6.9 -35.8 45.2 182 179 A A H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 120.7 32.2 -63.5 -41.2 -4.6 -33.8 47.6 183 180 A F T 3<5S- 0 0 28 -4,-1.8 29,-0.3 -5,-0.2 -1,-0.2 0.089 108.9-108.0-116.9 21.7 -5.8 -30.3 46.8 184 181 A R T < 5S+ 0 0 206 -3,-0.7 28,-0.6 -4,-0.4 2,-0.3 0.929 70.1 137.5 55.6 56.0 -9.5 -30.9 45.9 185 182 A A < - 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