==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-AUG-99 1CY8 . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.FEINBERG,A.CHANGELA,A.MONDRAGON . 563 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 12.8 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 . 1 0.2 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 . 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 0 0 2 1 1 1 0 2 3 2 1 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 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 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 83 0, 0.0 79,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -72.2 27.7 33.1 71.5 2 3 A K E -a 80 0A 117 77,-0.9 79,-2.6 79,-0.0 80,-0.5 -0.397 360.0-103.6-101.8-179.6 28.2 34.0 67.8 3 4 A A E -ab 82 24A 13 20,-3.6 22,-2.1 77,-0.2 2,-0.4 -0.865 21.8-140.9-110.1 140.9 29.8 32.1 64.9 4 5 A L E -ab 83 25A 3 78,-2.5 80,-2.7 -2,-0.4 2,-0.4 -0.825 15.2-167.5 -99.5 137.2 33.2 32.7 63.4 5 6 A V E -ab 84 26A 0 20,-2.8 22,-2.2 -2,-0.4 2,-0.5 -0.994 3.8-160.1-126.6 129.1 33.7 32.6 59.6 6 7 A I E +ab 85 27A 0 78,-2.9 80,-2.8 -2,-0.4 2,-0.3 -0.943 15.0 167.5-117.3 127.1 37.1 32.4 58.0 7 8 A V E - b 0 28A 0 20,-1.4 22,-2.5 -2,-0.5 23,-0.4 -0.778 41.1-114.6-123.6 170.7 38.0 33.3 54.4 8 9 A E S S+ 0 0 27 78,-0.3 23,-0.9 -2,-0.3 20,-0.1 0.591 85.4 34.9 -89.5 -8.8 41.4 33.9 52.9 9 10 A S > - 0 0 20 21,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.989 66.9-124.4-148.4 156.5 41.3 37.6 52.0 10 11 A P H > S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.919 113.7 52.6 -58.4 -46.0 40.1 41.1 53.0 11 12 A A H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.924 113.4 44.5 -57.8 -43.2 38.3 41.6 49.6 12 13 A K H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 110.1 54.7 -69.6 -37.1 36.5 38.3 50.1 13 14 A A H X S+ 0 0 16 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.905 108.6 49.5 -62.7 -41.9 35.7 39.0 53.8 14 15 A K H X S+ 0 0 119 -4,-2.5 4,-0.6 2,-0.2 3,-0.4 0.968 113.3 44.6 -61.6 -55.9 34.0 42.3 52.8 15 16 A T H >< S+ 0 0 3 -4,-1.9 3,-1.3 275,-0.3 4,-0.3 0.927 115.0 46.1 -55.9 -51.7 31.9 40.8 50.1 16 17 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.735 102.4 67.3 -67.0 -20.9 30.7 37.7 52.0 17 18 A N H >< S+ 0 0 81 -4,-1.3 3,-0.7 -3,-0.4 -1,-0.3 0.689 88.3 65.8 -73.0 -19.3 29.9 39.9 55.0 18 19 A K T << S+ 0 0 134 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.694 106.8 42.7 -74.4 -17.4 27.1 41.6 53.2 19 20 A Y T < S+ 0 0 64 -3,-1.0 2,-0.5 -4,-0.3 -1,-0.2 0.304 98.9 84.4-112.0 8.4 25.3 38.3 53.1 20 21 A L S < S- 0 0 18 -3,-0.7 6,-0.1 -4,-0.1 -1,-0.0 -0.956 72.1-131.3-118.6 123.6 26.0 37.1 56.6 21 22 A G > - 0 0 39 -2,-0.5 3,-1.4 1,-0.1 -2,-0.1 0.167 38.1 -85.4 -59.2-179.6 23.8 38.1 59.6 22 23 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 3,-0.1 -19,-0.1 0.642 121.2 72.2 -64.7 -16.3 24.9 39.5 62.9 23 24 A D T 3 S+ 0 0 101 -21,-0.1 -20,-3.6 -19,-0.0 2,-0.3 0.821 92.9 68.6 -68.2 -30.6 25.3 35.9 64.2 24 25 A Y E < -b 3 0A 56 -3,-1.4 2,-0.5 -22,-0.2 -20,-0.2 -0.668 62.8-163.6 -95.6 145.6 28.4 35.6 62.0 25 26 A V E -b 4 0A 51 -22,-2.1 -20,-2.8 -2,-0.3 2,-0.3 -0.973 16.4-150.4-127.2 112.6 31.8 37.3 62.4 26 27 A V E +b 5 0A 24 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.640 18.7 173.4 -89.0 142.5 33.9 37.2 59.3 27 28 A K E -b 6 0A 54 -22,-2.2 -20,-1.4 -2,-0.3 2,-0.4 -0.951 22.3-142.0-150.3 125.3 37.7 37.3 59.5 28 29 A S E -b 7 0A 12 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.1 -0.728 9.3-146.2 -89.4 133.5 40.2 36.8 56.7 29 30 A S - 0 0 0 -22,-2.5 -21,-0.2 -2,-0.4 4,-0.2 0.691 31.5-142.3 -68.8 -16.7 43.4 34.9 57.5 30 31 A V - 0 0 72 -23,-0.4 2,-0.3 1,-0.1 -21,-0.2 0.888 65.5 -2.8 56.8 44.2 45.0 37.3 55.0 31 32 A G S S- 0 0 26 -23,-0.9 -2,-0.1 1,-0.1 3,-0.1 -0.936 102.2 -53.9 144.2-167.1 47.3 34.6 53.6 32 33 A H - 0 0 85 -2,-0.3 2,-2.5 1,-0.2 -1,-0.1 0.634 52.7-167.8 -86.5 -16.5 48.4 31.0 53.8 33 34 A I + 0 0 3 -4,-0.2 30,-3.1 -3,-0.1 2,-0.3 -0.348 66.4 30.6 64.7 -73.9 49.3 31.0 57.5 34 35 A R E S+E 62 0B 51 -2,-2.5 2,-0.3 28,-0.2 28,-0.2 -0.904 74.0 128.6-119.5 147.9 51.1 27.7 57.6 35 36 A D E -E 61 0B 23 26,-1.6 26,-3.1 -2,-0.3 -2,-0.0 -0.966 53.6 -55.3-172.7-175.3 53.1 25.9 54.9 36 37 A L 0 0 13 -2,-0.3 24,-0.1 24,-0.2 13,-0.1 -0.502 360.0 360.0 -80.4 148.4 56.4 24.2 53.9 37 38 A P 0 0 64 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.972 360.0 360.0 -62.7 360.0 59.8 26.0 54.3 38 ! 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 39 62 A D 0 0 163 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 45.0 68.7 6.5 51.5 40 63 A E - 0 0 100 13,-0.1 2,-0.0 11,-0.0 11,-0.0 0.506 360.0-159.2 -76.2-144.7 68.0 9.8 53.3 41 64 A R >> - 0 0 157 2,-0.0 4,-1.7 0, 0.0 3,-0.9 -0.048 16.4-146.2 153.0 97.5 70.0 13.0 54.1 42 65 A G H 3> S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.819 98.4 67.8 -47.8 -32.6 68.7 15.2 56.9 43 66 A A H 3> S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.945 105.4 37.9 -52.0 -56.2 70.1 18.1 54.9 44 67 A L H <> S+ 0 0 20 -3,-0.9 4,-2.9 1,-0.2 3,-0.4 0.966 112.0 56.4 -61.0 -58.6 67.5 17.6 52.1 45 68 A V H X>S+ 0 0 20 -4,-1.7 4,-3.4 1,-0.2 5,-0.6 0.849 107.4 51.1 -42.6 -45.6 64.6 16.7 54.3 46 69 A N H <5S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 111.9 44.4 -62.5 -47.4 65.0 20.0 56.2 47 70 A R H <5S+ 0 0 131 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.901 119.9 43.0 -64.7 -40.8 65.1 22.2 53.2 48 71 A M H <5S- 0 0 0 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.885 93.3-144.0 -73.0 -40.5 62.1 20.4 51.7 49 72 A G T <5S+ 0 0 4 -4,-3.4 10,-2.6 -5,-0.3 2,-0.3 0.595 73.1 89.3 83.8 9.7 60.1 20.2 54.9 50 73 A V E < -F 58 0C 0 -5,-0.6 -1,-0.3 8,-0.2 8,-0.2 -0.986 67.7-144.4-138.4 145.3 58.9 16.7 53.7 51 74 A D E > > -F 57 0C 15 6,-1.7 5,-2.0 -2,-0.3 3,-1.5 -0.808 14.1-178.8-121.1 94.7 60.5 13.3 54.4 52 75 A P T 3 5S+ 0 0 10 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.666 87.3 51.8 -59.7 -19.6 60.3 10.7 51.6 53 76 A W T 3 5S+ 0 0 54 1,-0.2 2,-0.2 2,-0.1 -13,-0.1 0.541 105.0 52.8 -99.6 -7.8 62.1 8.2 53.8 54 77 A H T X 5S- 0 0 95 -3,-1.5 3,-1.7 3,-0.1 -1,-0.2 -0.601 130.0 -81.3-124.6 66.0 60.0 8.5 56.9 55 78 A N T 3 5S- 0 0 91 -3,-0.3 -2,-0.1 1,-0.3 480,-0.1 0.733 82.3 -67.3 39.6 35.8 56.6 7.8 55.3 56 79 A W T 3 - 0 0 54 -30,-3.1 3,-1.9 1,-0.1 4,-0.2 -0.309 42.8 -80.7 -73.0 157.7 54.7 32.2 57.9 64 87 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 -0.280 115.5 7.3 -59.5 140.4 56.6 35.4 58.9 65 88 A G T 3 S+ 0 0 61 1,-0.1 4,-0.3 -3,-0.1 3,-0.2 0.620 104.4 104.1 63.5 10.9 54.6 38.1 60.5 66 89 A K <> + 0 0 41 -3,-1.9 4,-1.9 1,-0.2 -3,-0.1 0.397 51.6 85.3-101.7 1.4 51.7 35.6 60.6 67 90 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.817 87.5 52.9 -72.0 -30.6 52.0 34.9 64.3 68 91 A K H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 109.2 50.4 -69.9 -37.9 49.8 37.8 65.2 69 92 A V H > S+ 0 0 20 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.901 109.5 50.7 -65.4 -42.8 47.2 36.5 62.8 70 93 A V H >X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 3,-1.1 0.978 114.2 42.6 -58.1 -58.6 47.3 33.1 64.3 71 94 A S H 3X S+ 0 0 63 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.810 110.3 58.3 -58.5 -32.4 46.9 34.4 67.9 72 95 A E H 3X S+ 0 0 86 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.3 0.766 109.2 45.1 -71.0 -24.5 44.3 36.8 66.7 73 96 A L H < S+ 0 0 5 -4,-1.9 3,-0.9 -3,-0.5 -2,-0.2 0.842 101.3 52.4 -72.9 -35.6 37.6 31.1 68.1 78 101 A E H 3< S+ 0 0 151 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 106.4 53.2 -72.9 -27.2 36.9 30.7 71.9 79 102 A K T 3< S+ 0 0 150 -4,-1.0 -77,-0.9 -78,-0.0 2,-0.3 0.406 103.1 74.4 -86.8 3.0 34.3 33.5 71.8 80 103 A A E < -a 2 0A 5 -3,-0.9 -77,-0.2 -79,-0.2 3,-0.1 -0.892 67.3-151.5-116.6 147.0 32.5 31.7 68.9 81 104 A D E S+ 0 0 108 -79,-2.6 2,-0.3 -2,-0.3 -78,-0.2 0.818 82.6 21.8 -84.7 -32.9 30.4 28.5 69.2 82 105 A H E -a 3 0A 44 -80,-0.5 -78,-2.5 2,-0.0 2,-0.5 -0.960 67.3-143.9-135.7 153.6 31.1 27.2 65.7 83 106 A I E -ac 4 111A 1 27,-3.0 29,-1.8 -2,-0.3 2,-0.5 -0.969 10.7-163.3-124.4 120.4 33.8 27.8 63.1 84 107 A Y E -ac 5 112A 34 -80,-2.7 -78,-2.9 -2,-0.5 2,-0.8 -0.892 7.8-153.5-105.6 123.6 33.1 27.9 59.4 85 108 A L E +ac 6 113A 1 27,-2.7 29,-1.4 -2,-0.5 -78,-0.2 -0.847 17.3 174.9 -96.6 107.6 35.9 27.6 56.9 86 109 A A + 0 0 0 -80,-2.8 -78,-0.3 -2,-0.8 3,-0.1 -0.338 22.1 145.9-110.7 49.3 34.8 29.4 53.8 87 110 A T - 0 0 1 6,-0.2 6,-0.1 -80,-0.2 7,-0.0 -0.249 63.6 -68.1 -74.0 170.7 38.0 29.1 51.7 88 111 A D - 0 0 14 1,-0.1 -1,-0.2 27,-0.1 9,-0.1 -0.284 48.7-112.1 -63.8 151.2 37.6 28.7 47.9 89 112 A L S S+ 0 0 11 27,-0.5 -1,-0.1 -3,-0.1 28,-0.1 0.533 83.5 97.0 -62.0 -12.3 36.1 25.4 46.7 90 113 A D S > S- 0 0 14 1,-0.1 4,-1.4 3,-0.0 3,-0.4 -0.256 89.6-100.0 -80.1 169.6 39.2 23.9 45.1 91 114 A R H >> S+ 0 0 47 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.903 124.3 53.7 -51.7 -48.9 41.7 21.4 46.5 92 115 A E H 3> S+ 0 0 66 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.894 108.6 52.0 -54.0 -39.0 44.2 24.2 47.4 93 116 A G H 3> S+ 0 0 1 -3,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.778 106.3 53.1 -68.2 -27.7 41.3 25.8 49.3 94 117 A E H - 0 0 122 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.314 52.2-132.1 -60.7 140.3 37.1 19.5 68.4 108 131 A D G > S+ 0 0 97 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.793 108.0 67.3 -63.2 -26.7 36.6 18.7 64.8 109 132 A A G 3 S+ 0 0 84 1,-0.3 -1,-0.3 24,-0.0 -2,-0.1 0.671 87.7 68.9 -66.9 -15.6 32.8 19.0 65.5 110 133 A R G < S+ 0 0 59 -3,-1.8 -27,-3.0 -28,-0.1 2,-0.3 0.716 95.6 70.6 -73.7 -21.0 33.6 22.7 66.0 111 134 A Y E < +c 83 0A 8 -3,-1.7 2,-0.3 -4,-0.3 -27,-0.2 -0.734 52.3 178.6-108.5 150.3 34.3 23.1 62.3 112 135 A S E -c 84 0A 9 -29,-1.8 -27,-2.7 -2,-0.3 2,-0.6 -0.954 21.1-140.7-137.9 152.5 32.3 23.0 59.1 113 136 A R E -cD 85 132A 5 19,-3.8 19,-0.8 -2,-0.3 2,-0.3 -0.941 19.3-162.2-120.9 107.1 33.5 23.5 55.5 114 137 A V - 0 0 1 -29,-1.4 2,-0.4 -2,-0.6 14,-0.1 -0.690 3.6-156.7 -91.3 143.6 31.1 25.6 53.4 115 138 A V + 0 0 79 -2,-0.3 2,-0.3 12,-0.3 -27,-0.1 -0.951 20.9 154.7-123.2 139.9 31.3 25.5 49.6 116 139 A F - 0 0 11 -2,-0.4 -27,-0.5 11,-0.0 3,-0.1 -0.966 32.1-154.2-158.7 145.0 30.2 28.1 47.1 117 140 A N S S+ 0 0 40 -2,-0.3 179,-3.2 1,-0.2 2,-0.3 0.208 86.5 24.5-109.0 15.3 31.2 28.9 43.5 118 141 A E S S- 0 0 23 177,-0.3 2,-0.8 2,-0.1 -1,-0.2 -0.931 76.7-122.1-167.9 151.8 30.0 32.6 43.7 119 142 A I + 0 0 0 170,-0.4 2,-0.2 175,-0.4 222,-0.1 -0.717 58.5 129.2-108.4 82.6 29.5 35.0 46.5 120 143 A T S > S- 0 0 25 -2,-0.8 4,-2.7 1,-0.1 5,-0.3 -0.751 70.9-100.2-123.4 171.0 25.9 36.1 46.3 121 144 A K H > S+ 0 0 109 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.951 123.3 38.9 -59.1 -51.8 23.1 36.3 48.8 122 145 A N H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.864 115.9 51.1 -69.4 -35.7 21.5 33.0 47.7 123 146 A A H > S+ 0 0 18 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 114.5 44.2 -68.0 -38.6 24.8 31.2 47.1 124 147 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.908 110.8 55.4 -70.2 -41.7 26.0 32.2 50.6 125 148 A R H X S+ 0 0 134 -4,-2.3 4,-0.9 -5,-0.3 3,-0.3 0.946 111.1 42.1 -55.9 -54.2 22.7 31.3 52.2 126 149 A Q H X S+ 0 0 94 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.810 110.1 60.5 -64.8 -28.8 22.6 27.8 50.8 127 150 A A H < S+ 0 0 9 -4,-1.3 -12,-0.3 1,-0.2 -1,-0.2 0.879 114.1 33.5 -66.6 -38.5 26.3 27.4 51.7 128 151 A F H < S+ 0 0 14 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.470 107.5 71.8 -95.6 -3.0 25.7 28.0 55.4 129 152 A N H < S+ 0 0 121 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.967 118.7 12.5 -72.2 -55.8 22.3 26.3 55.3 130 153 A K S < S- 0 0 159 -4,-1.5 2,-0.5 -5,-0.1 -1,-0.3 -0.784 84.2-171.5-124.4 83.1 23.8 22.8 54.9 131 154 A P - 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0 0 126 -2,-0.7 -26,-0.1 -26,-0.1 -1,-0.1 -0.385 28.4-170.9-160.8 74.4 47.9 23.3 -7.4 225 248 A P - 0 0 7 0, 0.0 -28,-2.6 0, 0.0 3,-0.0 -0.233 14.2-149.5 -64.0 159.9 50.9 24.1 -9.6 226 249 A V + 0 0 71 -30,-0.2 2,-0.3 212,-0.0 -31,-0.2 0.362 68.7 24.1-114.7 3.6 54.3 24.3 -7.9 227 250 A N S > S- 0 0 37 1,-0.1 4,-1.3 -30,-0.0 5,-0.1 -0.931 83.9 -93.6-155.5 178.2 56.1 26.9 -10.1 228 251 A K H > S+ 0 0 135 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.857 115.8 56.5 -69.8 -35.9 55.8 29.8 -12.5 229 252 A E H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 106.6 48.1 -63.1 -45.6 55.9 27.6 -15.7 230 253 A Q H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 111.0 50.9 -63.2 -40.4 53.0 25.4 -14.7 231 254 A T H X S+ 0 0 4 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.900 109.6 50.9 -64.6 -41.3 50.8 28.3 -13.8 232 255 A Q H X S+ 0 0 118 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 108.4 51.1 -62.4 -46.9 51.5 30.0 -17.1 233 256 A A H X S+ 0 0 59 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.908 113.9 44.8 -57.8 -43.0 50.6 26.9 -19.1 234 257 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.902 110.0 56.2 -67.9 -39.6 47.3 26.7 -17.2 235 258 A V H X S+ 0 0 20 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.827 104.0 52.9 -61.3 -34.7 46.8 30.4 -17.6 236 259 A S H X S+ 0 0 42 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.855 110.3 47.3 -69.8 -36.5 47.0 30.1 -21.5 237 260 A L H X S+ 0 0 101 -4,-1.3 4,-1.0 1,-0.2 3,-0.3 0.875 111.7 51.9 -71.4 -36.4 44.4 27.4 -21.5 238 261 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.718 101.3 60.4 -73.1 -22.0 42.2 29.5 -19.3 239 262 A E H < S+ 0 0 127 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.3 37.7 -75.1 -30.1 42.4 32.6 -21.4 240 263 A K H < S+ 0 0 181 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.606 94.8 110.6 -95.0 -14.0 40.9 30.8 -24.4 241 264 A A < - 0 0 21 -4,-1.0 2,-0.5 146,-0.1 190,-0.2 -0.129 67.9-123.2 -63.3 156.8 38.3 28.7 -22.5 242 265 A R - 0 0 217 188,-0.1 146,-0.6 2,-0.0 2,-0.4 -0.894 27.8-143.8-102.1 127.4 34.6 29.2 -22.6 243 266 A Y E +KL 387 429D 5 186,-0.7 186,-1.7 -2,-0.5 2,-0.3 -0.758 26.8 158.6 -98.4 139.1 33.0 29.9 -19.2 244 267 A S E -KL 386 428D 46 142,-1.8 142,-2.8 -2,-0.4 2,-0.8 -0.990 47.6 -98.4-154.7 147.2 29.6 28.7 -18.0 245 268 A V E -K 385 0D 3 182,-2.5 181,-2.7 -2,-0.3 140,-0.3 -0.549 32.9-174.1 -70.1 107.9 27.8 28.0 -14.7 246 269 A L E - 0 0 93 138,-1.6 2,-0.3 -2,-0.8 139,-0.2 0.882 65.9 -16.7 -69.9 -39.4 28.1 24.3 -14.1 247 270 A E E -K 384 0D 96 137,-1.6 137,-3.0 -3,-0.1 2,-0.5 -0.963 49.6-150.0-168.1 147.8 25.9 24.3 -11.0 248 271 A R E -K 383 0D 83 -2,-0.3 2,-0.6 135,-0.2 135,-0.2 -0.978 14.6-170.3-126.4 116.5 24.4 26.6 -8.4 249 272 A E E -K 382 0D 96 133,-2.3 133,-1.9 -2,-0.5 2,-0.6 -0.929 1.4-171.3-112.3 115.8 23.8 25.2 -4.9 250 273 A D E +K 381 0D 90 -2,-0.6 131,-0.2 131,-0.2 -2,-0.0 -0.920 16.7 160.1-109.3 116.6 21.8 27.3 -2.5 251 274 A K E -K 380 0D 101 129,-2.7 129,-2.5 -2,-0.6 2,-0.3 -0.998 36.9-122.3-140.7 140.2 21.6 26.1 1.0 252 275 A P E -K 379 0D 81 0, 0.0 127,-0.3 0, 0.0 2,-0.2 -0.615 33.7-177.7 -81.1 133.6 20.8 27.7 4.4 253 276 A T E -K 378 0D 40 125,-3.0 125,-3.5 -2,-0.3 2,-0.3 -0.738 8.9-157.6-123.9 174.0 23.5 27.4 7.1 254 277 A T E -K 377 0D 72 123,-0.2 2,-0.4 -2,-0.2 123,-0.2 -0.945 8.7-146.5-147.4 164.8 23.8 28.4 10.7 255 278 A S E -K 376 0D 33 121,-1.4 121,-1.8 -2,-0.3 149,-0.2 -0.993 19.7-141.4-135.7 139.4 26.5 29.2 13.3 256 279 A K - 0 0 161 -2,-0.4 118,-0.1 119,-0.2 115,-0.1 -0.769 20.6-107.0-106.5 150.0 26.1 28.4 17.0 257 280 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 110,-0.0 -0.338 43.3-103.1 -68.0 152.9 27.2 30.4 20.1 258 281 A G - 0 0 34 1,-0.1 3,-0.1 -2,-0.0 0, 0.0 -0.278 39.7 -96.6 -72.7 164.6 30.2 29.1 22.0 259 282 A A - 0 0 38 1,-0.1 -1,-0.1 111,-0.0 3,-0.1 -0.339 55.3 -81.1 -73.6 161.0 29.8 27.3 25.3 260 283 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.307 63.0 -86.6 -63.6 153.3 30.2 29.3 28.5 261 284 A F - 0 0 8 77,-0.5 77,-2.5 103,-0.2 2,-0.3 -0.105 38.2-172.4 -61.9 153.3 33.8 29.9 29.5 262 285 A I > - 0 0 18 75,-0.2 4,-2.8 -3,-0.1 5,-0.3 -0.798 49.8 -82.0-130.6 173.0 36.0 27.7 31.6 263 286 A T H > S+ 0 0 0 36,-2.0 4,-2.0 -2,-0.3 5,-0.1 0.898 127.2 40.4 -46.4 -54.0 39.5 28.6 32.9 264 287 A S H > S+ 0 0 5 35,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.937 116.2 47.6 -66.5 -47.2 41.4 27.7 29.7 265 288 A T H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.873 110.4 54.7 -62.5 -34.4 38.9 29.1 27.2 266 289 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.961 108.4 48.2 -61.4 -48.9 38.6 32.3 29.2 267 290 A Q H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.891 113.4 48.0 -59.1 -41.3 42.4 32.7 29.0 268 291 A Q H X S+ 0 0 49 -4,-2.2 4,-3.3 182,-0.2 5,-0.2 0.960 114.6 42.8 -66.0 -52.3 42.5 32.1 25.3 269 292 A A H X>S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 5,-0.8 0.860 114.0 52.2 -63.2 -36.2 39.6 34.4 24.4 270 293 A A H X5S+ 0 0 0 -4,-2.6 6,-2.0 -5,-0.3 4,-1.0 0.893 115.6 42.7 -66.3 -36.7 41.0 37.1 26.7 271 294 A S H X5S+ 0 0 3 -4,-1.9 4,-0.6 4,-0.3 -2,-0.2 0.900 118.7 42.6 -75.4 -42.7 44.3 36.7 25.0 272 295 A T H <5S+ 0 0 93 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.890 128.5 25.6 -72.9 -41.1 43.0 36.6 21.4 273 296 A R H <5S+ 0 0 176 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.865 136.0 26.3 -92.1 -40.5 40.4 39.3 21.6 274 297 A L H < - 0 0 23 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.310 29.9-102.1 -74.1 165.0 48.2 37.6 29.2 278 301 A V H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 121.1 50.5 -54.6 -44.1 47.4 34.6 31.4 279 302 A K H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.970 111.5 47.2 -60.8 -54.6 48.6 36.3 34.6 280 303 A K H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.949 112.9 49.0 -51.3 -57.0 46.5 39.5 33.9 281 304 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 113.1 46.5 -51.5 -48.7 43.3 37.5 33.1 282 305 A M H X S+ 0 0 20 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.812 111.4 51.2 -69.3 -27.6 43.6 35.3 36.2 283 306 A M H X S+ 0 0 114 -4,-2.2 4,-1.6 -3,-0.4 -1,-0.2 0.873 115.6 41.2 -75.3 -36.2 44.3 38.2 38.5 284 307 A M H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.879 111.7 55.9 -76.8 -38.1 41.3 40.2 37.3 285 308 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.962 108.2 49.5 -56.7 -49.7 39.1 37.2 37.2 286 309 A Q H X S+ 0 0 73 -4,-1.8 4,-3.5 1,-0.2 5,-0.2 0.899 110.5 48.0 -56.5 -47.2 39.9 36.6 40.8 287 310 A R H X S+ 0 0 86 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.846 111.9 50.7 -65.0 -32.7 39.1 40.1 41.9 288 311 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 6,-0.6 0.960 113.8 45.6 -66.8 -47.7 35.9 40.0 39.9 289 312 A Y H ><5S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.2 -170,-0.4 0.940 112.8 48.1 -58.1 -52.4 35.1 36.7 41.7 290 313 A E H 3<5S+ 0 0 12 -4,-3.5 -275,-0.3 1,-0.3 -1,-0.2 0.696 107.2 57.8 -64.8 -18.7 36.0 37.9 45.2 291 314 A A T 3<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.499 119.1-113.0 -88.0 -5.2 34.0 41.1 44.6 292 315 A G T < 5S+ 0 0 9 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.602 87.2 112.6 86.2 13.3 30.9 38.9 44.0 293 316 A Y S - 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0 0 98 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.809 24.0-133.7 -94.9 130.8 45.8 6.5 49.3 530 560 A W H > S+ 0 0 38 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.834 99.6 49.1 -56.7 -40.5 48.1 9.5 49.0 531 561 A K H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.865 110.8 50.0 -69.0 -35.3 51.2 8.0 50.6 532 562 A A H > S+ 0 0 52 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.852 111.8 49.7 -68.7 -36.0 51.1 4.9 48.5 533 563 A V H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.882 113.8 45.5 -68.9 -38.0 50.8 7.1 45.4 534 564 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.868 110.2 54.1 -72.5 -37.0 53.7 9.1 46.6 535 565 A D H X S+ 0 0 71 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.948 110.9 45.8 -61.9 -47.1 55.8 6.0 47.4 536 566 A H H X S+ 0 0 123 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.916 113.2 49.5 -60.8 -45.6 55.2 4.7 43.9 537 567 A F H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.924 114.2 46.0 -58.0 -45.6 56.1 8.1 42.4 538 568 A F H X S+ 0 0 16 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.886 107.6 55.8 -66.9 -40.9 59.2 8.3 44.5 539 569 A S H X S+ 0 0 75 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.951 113.3 42.1 -55.5 -51.0 60.3 4.7 43.7 540 570 A D H X S+ 0 0 43 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.873 114.8 52.5 -63.7 -38.8 60.1 5.6 40.0 541 571 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.921 108.2 47.7 -65.7 -46.0 61.8 9.0 40.6 542 572 A T H X S+ 0 0 32 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.805 106.7 55.8 -69.4 -28.9 64.8 7.7 42.6 543 573 A Q H X S+ 0 0 132 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.915 112.5 44.8 -68.3 -36.5 65.6 4.9 40.1 544 574 A Q H X S+ 0 0 26 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.968 114.7 49.1 -65.4 -52.9 65.8 7.7 37.4 545 575 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.890 108.4 49.4 -54.6 -51.4 67.8 10.0 39.7 546 576 A D H X S+ 0 0 82 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.900 111.9 51.3 -58.2 -40.4 70.5 7.5 40.8 547 577 A K H < S+ 0 0 99 -4,-1.3 3,-0.4 -5,-0.3 -1,-0.2 0.875 110.9 47.4 -63.6 -39.0 71.0 6.5 37.2 548 578 A A H < S+ 0 0 0 -4,-1.9 9,-2.7 -45,-0.2 -1,-0.2 0.831 103.9 62.3 -71.9 -33.4 71.4 10.2 36.1 549 579 A E H < S+ 0 0 108 -4,-2.2 -1,-0.2 7,-0.2 -2,-0.2 0.756 88.2 93.2 -62.7 -28.9 73.8 10.9 39.0 550 580 A K S < S- 0 0 91 -4,-0.9 7,-0.2 -3,-0.4 5,-0.1 -0.013 94.8 -78.9 -62.6 168.6 76.3 8.4 37.6 551 581 A D > > - 0 0 90 1,-0.1 3,-2.3 5,-0.1 5,-2.3 -0.361 43.7-115.5 -64.5 150.2 79.2 9.2 35.2 552 582 A P G > 5S+ 0 0 50 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.796 117.2 64.7 -61.7 -23.2 78.0 9.6 31.7 553 583 A E G 3 5S+ 0 0 150 1,-0.3 -2,-0.1 2,-0.2 5,-0.0 0.547 103.5 48.0 -74.5 -5.3 80.1 6.6 30.8 554 584 A E G < 5S- 0 0 111 -3,-2.3 -1,-0.3 -7,-0.1 -4,-0.1 0.228 137.3 -88.6-110.6 3.8 77.8 4.6 33.1 555 585 A G T < 5S+ 0 0 42 -3,-1.4 -2,-0.2 1,-0.2 3,-0.1 0.647 82.7 144.7 96.4 17.2 74.7 6.2 31.4 556 586 A G < - 0 0 6 -5,-2.3 -8,-0.2 1,-0.2 -1,-0.2 -0.230 60.8 -60.5 -80.9 176.1 74.6 9.2 33.7 557 587 A M - 0 0 0 -9,-2.7 -1,-0.2 -7,-0.2 -58,-0.1 -0.311 56.3-114.8 -60.4 133.0 73.5 12.7 32.7 558 588 A R - 0 0 99 -3,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.467 30.6-124.0 -67.9 134.4 75.7 14.3 30.0 559 589 A P - 0 0 43 0, 0.0 2,-1.9 0, 0.0 -395,-0.2 -0.537 23.5-109.9 -80.2 150.5 77.6 17.3 31.3 560 590 A N S S+ 0 0 61 -397,-2.2 2,-0.3 -2,-0.2 -65,-0.0 -0.564 76.4 115.5 -80.6 80.2 77.1 20.6 29.4 561 591 A Q - 0 0 150 -2,-1.9 2,-0.4 2,-0.0 -397,-0.0 -0.927 57.3-143.9-145.3 167.9 80.6 20.8 27.9 562 592 A M - 0 0 176 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 -0.959 31.8-139.6-135.7 110.6 82.6 20.8 24.7 563 593 A V - 0 0 116 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.376 17.9-100.5 -81.0 154.3 86.0 19.0 25.0 564 594 A L 0 0 160 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 0.404 360.0 360.0 -51.2-170.7 89.4 19.9 23.5 565 595 A T 0 0 181 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.948 360.0 360.0 -81.2 360.0 91.2 18.5 20.4