==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 12-NOV-12 4HY1 . COMPND 2 MOLECULE: TOPOISOMERASE IV, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR D.C.BENSEN,C.J.CREIGHTON,B KWAN,L.W.TARI . 588 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 31 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 6 1 2 0 0 0 0 0 2 0 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 6 1 4 3 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 . 2 1 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 7 A K 0 0 195 0, 0.0 91,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 56.8 -7.4 -7.7 -5.1 2 8 A S + 0 0 102 1,-0.2 2,-0.4 89,-0.1 90,-0.2 0.856 360.0 33.0 -63.0 -41.3 -11.0 -8.1 -3.7 3 9 A I E S-A 91 0A 66 88,-2.2 88,-1.7 90,-0.1 2,-0.4 -0.991 71.6-175.4-115.4 131.8 -10.7 -5.0 -1.5 4 10 A E E -A 90 0A 122 -2,-0.4 2,-0.3 86,-0.2 86,-0.2 -0.986 7.0-170.2-129.1 133.7 -8.5 -2.0 -2.7 5 11 A V E -A 89 0A 58 84,-3.2 84,-2.0 -2,-0.4 2,-0.4 -0.960 12.2-178.0-129.4 139.8 -8.0 0.9 -0.4 6 12 A L E +A 88 0A 61 -2,-0.3 2,-0.3 82,-0.2 82,-0.2 -0.978 16.6 161.1-138.0 123.6 -6.4 4.5 -0.9 7 13 A T E -A 87 0A 60 80,-2.0 80,-2.3 -2,-0.4 2,-0.0 -0.838 38.9 -97.4-128.4 171.9 -6.1 7.0 1.9 8 14 A G - 0 0 42 -2,-0.3 79,-0.2 78,-0.2 4,-0.1 -0.123 42.5-102.1 -74.3-175.5 -4.1 10.1 2.7 9 15 A L S >> S+ 0 0 10 76,-0.3 4,-2.1 1,-0.2 3,-0.6 0.296 89.2 106.8 -98.1 3.2 -0.9 10.1 4.8 10 16 A D H 3> S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 75.2 56.9 -54.2 -41.4 -2.4 11.3 8.0 11 17 A P H 3> S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.885 108.2 48.0 -56.2 -38.2 -2.2 7.9 9.7 12 18 A V H <4 S+ 0 0 0 -3,-0.6 -2,-0.2 2,-0.2 7,-0.2 0.924 113.2 47.1 -68.8 -43.1 1.5 7.7 9.1 13 19 A K H < S+ 0 0 37 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.838 113.5 49.5 -68.8 -34.3 2.1 11.3 10.4 14 20 A K H < S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 129.5 18.7 -69.9 -44.2 -0.1 10.4 13.5 15 21 A R >< + 0 0 129 -4,-2.5 3,-2.5 -5,-0.2 4,-0.4 -0.477 66.5 162.9-129.5 68.2 1.7 7.2 14.3 16 22 A P G >> S+ 0 0 21 0, 0.0 3,-2.2 0, 0.0 4,-1.6 0.855 74.0 67.8 -52.7 -39.9 5.1 7.2 12.6 17 23 A G G 34 S+ 0 0 47 1,-0.3 5,-0.1 2,-0.2 -5,-0.1 0.647 94.3 56.2 -53.8 -20.9 6.3 4.4 14.9 18 24 A M G <4 S+ 0 0 99 -3,-2.5 80,-2.7 -6,-0.2 -1,-0.3 0.586 116.4 34.8 -87.9 -7.2 3.8 2.0 13.3 19 25 A Y T <4 S+ 0 0 30 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.549 126.4 14.0-122.4 -14.8 5.3 2.6 9.8 20 26 A T S < S- 0 0 3 -4,-1.6 2,-0.8 -8,-0.1 -1,-0.3 -0.946 78.2-100.0-155.7 163.6 9.0 3.1 10.5 21 27 A N > - 0 0 74 -2,-0.3 3,-0.9 3,-0.1 6,-0.4 -0.892 36.0-159.6 -89.5 112.3 11.6 2.7 13.2 22 28 A I T 3 + 0 0 47 -2,-0.8 141,-2.6 1,-0.2 142,-0.6 0.471 68.7 95.0 -80.7 2.2 11.8 6.3 14.4 23 29 A E T 3 S- 0 0 91 139,-0.2 141,-0.7 140,-0.2 -1,-0.2 0.874 108.4 -25.7 -61.8 -29.1 15.3 6.0 16.1 24 30 A N S < S- 0 0 17 -3,-0.9 3,-0.5 139,-0.2 4,-0.2 -0.921 74.8 -89.4-165.3 179.5 16.8 7.4 12.9 25 31 A P S > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.324 90.2 106.0 -84.2 7.9 15.9 7.5 9.1 26 32 A N H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 77.6 52.7 -55.6 -45.0 17.6 4.2 8.3 27 33 A H H > S+ 0 0 9 -3,-0.5 4,-2.2 -6,-0.4 -1,-0.2 0.894 106.7 53.4 -60.4 -36.3 14.3 2.4 7.9 28 34 A L H > S+ 0 0 0 -3,-0.3 4,-1.8 -7,-0.2 -1,-0.2 0.895 108.0 50.1 -61.4 -41.9 13.1 5.0 5.4 29 35 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.936 108.4 53.1 -58.9 -46.8 16.2 4.5 3.4 30 36 A Q H X S+ 0 0 48 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.892 105.6 55.1 -54.9 -41.8 15.5 0.7 3.4 31 37 A E H X S+ 0 0 16 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.918 109.9 44.1 -62.5 -44.8 12.0 1.4 2.1 32 38 A I H X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.927 114.2 50.9 -66.0 -43.2 13.2 3.3 -0.9 33 39 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.915 104.9 57.0 -60.0 -41.4 15.9 0.7 -1.6 34 40 A D H X S+ 0 0 14 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.882 105.8 51.2 -57.4 -37.9 13.3 -2.1 -1.4 35 41 A N H X S+ 0 0 67 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.877 110.6 46.0 -69.2 -38.2 11.4 -0.4 -4.2 36 42 A S H X S+ 0 0 6 -4,-1.7 4,-1.4 1,-0.2 3,-0.4 0.884 109.2 58.4 -67.8 -39.3 14.5 -0.1 -6.5 37 43 A V H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.865 97.2 60.5 -56.0 -35.7 15.3 -3.8 -5.5 38 44 A D H X S+ 0 0 73 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.911 103.5 50.7 -62.5 -37.7 11.8 -4.8 -6.9 39 45 A E H X>S+ 0 0 28 -4,-1.0 5,-2.4 -3,-0.4 6,-0.7 0.895 110.2 49.7 -61.2 -39.7 13.0 -3.4 -10.3 40 46 A V H ><5S+ 0 0 7 -4,-1.4 3,-0.8 4,-0.2 -2,-0.2 0.915 112.4 46.4 -63.4 -47.4 16.2 -5.5 -10.1 41 47 A L H 3<5S+ 0 0 50 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.838 107.4 57.3 -67.3 -33.6 14.2 -8.6 -9.2 42 48 A A H 3<5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.668 120.7-111.8 -67.3 -18.8 11.8 -7.9 -12.1 43 49 A G T <<5S+ 0 0 64 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.452 92.8 100.8 106.4 5.1 14.9 -7.9 -14.4 44 50 A F S - 0 0 51 4,-2.2 3,-1.5 -2,-0.6 141,-0.1 -0.421 24.8-117.7 -88.2 161.4 24.5 14.4 1.9 54 60 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 138,-0.0 0.848 114.5 62.1 -70.1 -30.8 25.9 16.9 4.4 55 61 A D T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.286 122.3-108.2 -69.5 8.4 22.4 18.5 4.9 56 62 A N S < S+ 0 0 46 -3,-1.5 -2,-0.1 1,-0.3 2,-0.1 0.480 76.4 135.7 70.4 11.7 21.3 15.0 6.2 57 63 A S - 0 0 1 99,-0.1 -4,-2.2 97,-0.0 2,-0.4 -0.389 44.7-142.7 -79.5 162.5 19.3 14.2 3.1 58 64 A I E -CD 52 155B 0 97,-2.3 97,-3.1 -6,-0.2 2,-0.4 -0.994 10.3-163.5-130.7 135.7 19.5 10.8 1.4 59 65 A E E -CD 51 154B 28 -8,-2.5 -8,-3.3 -2,-0.4 2,-0.4 -0.981 4.4-173.9-120.8 134.6 19.4 10.1 -2.3 60 66 A V E -CD 50 153B 2 93,-2.5 93,-2.9 -2,-0.4 2,-0.4 -0.991 8.0-179.1-121.9 134.2 18.7 6.7 -3.9 61 67 A A E +CD 49 152B 17 -12,-2.7 -12,-3.0 -2,-0.4 2,-0.3 -0.986 3.5 179.0-136.3 143.4 19.0 6.1 -7.6 62 68 A D E -CD 48 151B 20 89,-2.5 89,-0.5 -2,-0.4 -14,-0.2 -0.835 34.5-129.7-131.7 169.0 18.4 3.1 -9.9 63 69 A D + 0 0 44 -16,-0.9 87,-0.2 -2,-0.3 86,-0.2 -0.165 65.3 128.2-110.0 34.4 18.5 2.2 -13.6 64 70 A G S S- 0 0 0 -17,-0.2 -19,-0.1 87,-0.2 -28,-0.0 0.075 82.4 -74.2 -71.7-165.4 15.1 0.5 -13.6 65 71 A R S S- 0 0 114 84,-0.1 85,-0.2 1,-0.1 -1,-0.1 0.684 75.8-105.2 -71.8 -20.0 12.2 1.3 -16.0 66 72 A G - 0 0 7 83,-0.2 85,-0.2 54,-0.1 3,-0.1 0.404 42.3 -75.7 94.6 127.3 11.5 4.7 -14.3 67 73 A M - 0 0 28 1,-0.1 13,-0.2 83,-0.1 83,-0.1 -0.214 63.8 -95.1 -52.5 139.3 8.4 5.2 -12.0 68 74 A P - 0 0 64 0, 0.0 12,-1.1 0, 0.0 -1,-0.1 -0.293 37.0-175.7 -67.3 143.4 5.3 5.5 -14.2 69 75 A V + 0 0 13 10,-0.2 12,-0.1 9,-0.1 3,-0.1 0.402 38.8 127.5-113.4 -8.5 4.2 9.1 -15.0 70 76 A D - 0 0 121 8,-0.2 9,-1.0 1,-0.1 2,-0.4 -0.225 68.1-106.9 -52.5 141.9 0.9 8.3 -16.9 71 77 A I E -I 78 0C 113 7,-0.2 7,-0.3 5,-0.1 -1,-0.1 -0.558 30.3-127.9 -76.1 123.5 -2.3 10.0 -15.7 72 78 A H E >> -I 77 0C 68 5,-3.1 4,-2.5 -2,-0.4 5,-0.5 -0.657 13.4-139.0 -76.6 122.1 -4.5 7.6 -13.9 73 79 A P T 45S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 97.5 36.6 -54.1 -31.3 -8.0 7.9 -15.5 74 80 A E T 45S+ 0 0 143 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.894 124.0 35.8 -91.3 -47.0 -9.8 7.7 -12.2 75 81 A H T 45S- 0 0 55 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.572 94.3-139.0 -92.3 -6.0 -7.6 9.6 -9.8 76 82 A K T <5 + 0 0 164 -4,-2.5 2,-0.3 1,-0.2 -5,-0.1 0.883 64.3 107.3 59.1 48.4 -6.6 12.2 -12.4 77 83 A M E -I 71 0C 5 -2,-0.3 4,-2.1 -7,-0.3 -7,-0.2 -0.277 40.5-111.7 -62.2 158.6 0.3 10.9 -12.7 79 85 A G H > S+ 0 0 14 -9,-1.0 4,-2.9 1,-0.2 5,-0.3 0.927 118.0 53.5 -56.5 -45.7 1.4 7.5 -11.4 80 86 A I H > S+ 0 0 0 -12,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.917 109.2 47.2 -62.3 -41.5 4.3 9.0 -9.5 81 87 A E H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 112.9 49.7 -60.9 -43.2 2.0 11.4 -7.6 82 88 A L H X S+ 0 0 16 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.925 112.7 46.9 -58.8 -49.7 -0.5 8.6 -6.8 83 89 A I H < S+ 0 0 55 -4,-2.9 22,-0.4 1,-0.2 -1,-0.2 0.886 118.5 40.6 -61.2 -42.5 2.3 6.4 -5.5 84 90 A M H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.741 116.9 42.5 -80.8 -28.3 3.9 9.1 -3.4 85 91 A T H < S+ 0 0 18 -4,-2.2 2,-0.3 -5,-0.2 -76,-0.3 0.400 108.3 55.4-106.1 4.0 0.9 11.0 -1.9 86 92 A K S < S- 0 0 54 -4,-0.8 2,-0.6 -3,-0.2 19,-0.2 -0.970 73.7-123.0-139.1 148.4 -1.5 8.1 -0.9 87 93 A L E -A 7 0A 15 -80,-2.3 -80,-2.0 -2,-0.3 2,-0.4 -0.851 31.9-161.2 -88.4 122.4 -1.4 4.9 1.2 88 94 A H E +A 6 0A 67 -2,-0.6 2,-0.3 14,-0.6 -82,-0.2 -0.882 23.7 143.1-107.1 133.9 -2.3 2.0 -1.0 89 95 A S E +A 5 0A 72 -84,-2.0 -84,-3.2 -2,-0.4 2,-0.3 -0.954 8.9 152.9-152.3 166.8 -3.4 -1.3 0.5 90 96 A G E +A 4 0A 50 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.957 6.6 172.7-171.4-170.3 -5.8 -4.1 -0.2 91 97 A G E -A 3 0A 31 -88,-1.7 -88,-2.2 -2,-0.3 -89,-0.1 -0.969 48.9 -80.2 176.9-169.8 -6.4 -7.8 0.4 92 98 A K S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.821 107.9 2.6 -82.6 -35.8 -8.9 -10.6 0.1 93 99 A F S S- 0 0 181 -90,-0.1 -1,-0.3 -3,-0.1 -90,-0.1 -0.970 89.4 -88.6-147.1 154.3 -11.1 -9.8 3.2 94 100 A S 0 0 108 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.330 360.0 360.0 -71.1 155.1 -11.0 -7.1 5.8 95 101 A N 0 0 211 -2,-0.0 -1,-0.1 -4,-0.0 -4,-0.0 0.506 360.0 360.0-118.1 360.0 -8.8 -7.6 8.8 96 ! 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 97 108 A G 0 0 59 0, 0.0 2,-0.2 0, 0.0 -78,-0.2 0.000 360.0 360.0 360.0-146.9 0.5 -0.1 9.6 98 109 A G - 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0 0 13 -11,-0.6 3,-1.2 1,-0.2 4,-0.4 -0.271 47.3-150.9 -58.5 117.4 2.5 -16.2 1.4 324 339 A K T >> S+ 0 0 177 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.847 87.6 59.5 -66.0 -35.1 1.2 -19.8 2.0 325 340 A D H 3> S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.662 90.9 73.8 -69.7 -12.7 2.5 -21.4 -1.2 326 341 A V H <> S+ 0 0 2 -3,-1.2 4,-2.6 2,-0.2 5,-0.3 0.851 85.8 61.4 -66.6 -35.8 6.1 -20.6 -0.2 327 342 A T H <> S+ 0 0 27 -3,-1.0 4,-2.9 -4,-0.4 -1,-0.2 0.957 109.6 41.6 -58.6 -55.6 6.3 -23.2 2.5 328 343 A N H X S+ 0 0 96 -4,-0.6 4,-2.2 2,-0.2 5,-0.3 0.872 112.8 53.4 -50.9 -51.6 5.8 -26.0 -0.0 329 344 A F H X S+ 0 0 21 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.914 116.0 39.4 -54.7 -48.6 8.1 -24.4 -2.7 330 345 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.922 113.7 53.5 -69.5 -46.9 11.0 -24.2 -0.2 331 346 A A H X S+ 0 0 11 -4,-2.9 4,-2.8 -5,-0.3 -2,-0.2 0.893 111.3 44.5 -59.0 -43.6 10.4 -27.6 1.6 332 347 A T H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.915 114.8 48.2 -67.4 -45.3 10.4 -29.7 -1.6 333 348 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.3 5,-0.3 0.945 115.2 44.9 -59.7 -49.4 13.4 -27.9 -3.0 334 349 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.958 113.9 49.5 -62.1 -51.5 15.3 -28.3 0.2 335 350 A K H X S+ 0 0 71 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.928 116.2 42.0 -53.4 -50.1 14.3 -32.0 0.7 336 351 A D H X S+ 0 0 83 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.936 118.7 42.3 -67.7 -50.3 15.3 -32.9 -2.9 337 352 A L H X S+ 0 0 58 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.872 116.4 46.9 -67.5 -38.6 18.6 -31.0 -3.1 338 353 A L H X S+ 0 0 2 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.886 108.6 57.8 -70.2 -35.4 19.8 -31.9 0.4 339 354 A T H X S+ 0 0 39 -4,-2.1 4,-2.6 -5,-0.4 -2,-0.2 0.955 105.8 48.8 -58.5 -53.7 18.9 -35.6 -0.3 340 355 A I H X S+ 0 0 95 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.907 113.7 47.5 -46.3 -51.1 21.2 -35.7 -3.4 341 356 A W H X S+ 0 0 34 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.886 110.1 50.3 -62.3 -42.4 24.0 -34.1 -1.3 342 357 A L H < S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 7,-0.2 0.898 109.3 52.9 -63.8 -39.2 23.5 -36.5 1.7 343 358 A N H < S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.8 43.9 -59.9 -37.3 23.7 -39.4 -0.8 344 359 A Q H < S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.557 116.7 48.0 -82.6 -13.7 27.0 -38.2 -2.3 345 360 A N X + 0 0 51 -4,-1.0 4,-2.8 -3,-0.4 -1,-0.2 -0.436 61.2 157.9-128.9 62.8 28.5 -37.4 1.1 346 361 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.759 70.2 56.0 -66.1 -27.9 28.0 -40.3 3.4 347 362 A D H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.969 117.0 35.3 -68.5 -51.1 30.8 -39.6 5.9 348 363 A E H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 114.2 60.0 -66.1 -38.6 29.6 -36.2 6.7 349 364 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -7,-0.2 -2,-0.2 0.911 104.6 49.8 -53.3 -42.2 25.9 -37.3 6.3 350 365 A R H X S+ 0 0 147 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.887 110.2 49.1 -66.2 -42.1 26.4 -39.9 9.1 351 366 A Q H X S+ 0 0 88 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.872 109.5 52.1 -66.3 -38.4 27.9 -37.3 11.5 352 367 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.947 111.7 47.5 -60.1 -48.1 25.0 -34.9 10.8 353 368 A V H X S+ 0 0 25 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.925 111.1 51.0 -58.8 -47.2 22.6 -37.6 11.7 354 369 A E H X S+ 0 0 106 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.906 110.7 48.3 -58.3 -45.8 24.5 -38.6 14.8 355 370 A N H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.903 113.3 46.9 -63.0 -43.1 24.6 -35.0 16.1 356 371 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.894 111.2 51.4 -63.7 -43.2 20.8 -34.5 15.5 357 372 A S H X S+ 0 0 24 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.844 109.5 51.2 -67.4 -29.7 20.1 -37.8 17.1 358 373 A K H < S+ 0 0 108 -4,-1.9 4,-0.4 -5,-0.2 3,-0.3 0.889 108.3 51.4 -70.0 -40.0 22.2 -36.6 20.1 359 374 A V H >< S+ 0 0 34 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.942 110.7 49.6 -56.7 -45.8 20.1 -33.3 20.1 360 375 A A H 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.733 90.5 78.3 -67.1 -24.4 16.9 -35.4 20.2 361 376 A Q T 3< 0 0 140 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.662 360.0 360.0 -68.0 -15.0 18.1 -37.6 23.1 362 377 A K < 0 0 188 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.617 360.0 360.0-114.0 360.0 17.2 -34.8 25.5 363 !* 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 0.0 364 8 B S 0 0 128 0, 0.0 2,-0.4 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 -43.7 -21.8 5.8 38.5 365 9 B I - 0 0 64 88,-2.1 2,-0.3 90,-0.1 90,-0.1 -1.000 360.0-176.8-132.5 134.9 -21.5 2.7 36.3 366 10 B E - 0 0 153 -2,-0.4 2,-0.3 86,-0.1 86,-0.2 -0.975 5.1-167.4-131.0 148.9 -19.5 -0.5 37.1 367 11 B V - 0 0 59 84,-2.0 2,-0.3 -2,-0.3 84,-0.1 -0.958 7.8-172.2-138.9 148.8 -19.1 -3.6 34.9 368 12 B L + 0 0 67 -2,-0.3 2,-0.2 82,-0.2 82,-0.2 -0.937 15.0 168.7-148.2 118.8 -17.7 -7.1 35.4 369 13 B T - 0 0 46 80,-0.6 80,-0.4 -2,-0.3 -2,-0.0 -0.712 36.4 -98.7-124.1 170.9 -17.1 -9.8 32.7 370 14 B G - 0 0 40 -2,-0.2 79,-0.3 78,-0.1 4,-0.2 -0.108 43.0-110.3 -66.2-179.8 -15.5 -13.2 32.0 371 15 B L S >> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.1 3,-0.8 0.503 94.2 102.4 -98.4 -2.9 -12.2 -13.1 30.2 372 16 B D H 3> S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.846 76.9 55.3 -36.4 -50.2 -13.8 -14.5 27.0 373 17 B P H 3> S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.831 106.2 48.8 -63.5 -38.8 -13.7 -11.0 25.4 374 18 B V H <4 S+ 0 0 0 -3,-0.8 -2,-0.2 1,-0.2 7,-0.2 0.872 110.0 51.5 -68.6 -38.7 -10.0 -10.4 25.8 375 19 B K H < S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.644 111.3 52.0 -71.6 -13.8 -9.2 -13.8 24.4 376 20 B K H < S+ 0 0 136 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.915 125.9 17.3 -85.8 -55.6 -11.4 -12.8 21.4 377 21 B R >X + 0 0 140 -4,-2.2 3,-2.1 1,-0.1 4,-0.7 -0.577 68.2 164.6-119.1 69.2 -9.8 -9.4 20.5 378 22 B P H >> S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 3,-1.4 0.879 74.7 62.9 -48.7 -44.2 -6.3 -9.4 22.2 379 23 B G H 34 S+ 0 0 40 1,-0.3 5,-0.1 2,-0.2 -5,-0.1 0.640 94.7 60.8 -59.8 -18.6 -5.2 -6.5 20.0 380 24 B M H <4 S+ 0 0 140 -3,-2.1 -1,-0.3 -6,-0.2 3,-0.1 0.826 116.4 30.1 -77.3 -28.6 -7.9 -4.3 21.6 381 25 B Y H << S+ 0 0 74 -3,-1.4 2,-0.3 -4,-0.7 -2,-0.2 0.656 128.1 17.0-102.2 -27.1 -6.4 -4.6 25.1 382 26 B T S < S- 0 0 7 -4,-2.1 2,-0.8 80,-0.1 -1,-0.1 -0.927 80.1-100.3-140.4 163.5 -2.6 -5.1 24.5 383 27 B N > - 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