==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-AUG-09 2WQD . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.E.OBERHOLZER,P.SCHNEIDER,C.SIEBOLD,U.BAUMANN,B.ERNI . 570 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.0 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 . 1 0.2 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 . 41 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 3 2 1 2 1 3 0 1 1 0 3 0 1 1 0 0 0 2 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 5 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 S 0 0 89 0, 0.0 2,-0.3 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0 -25.4 -28.7 35.6 -16.0 2 3 A K E -A 230 0A 92 228,-0.6 228,-2.3 2,-0.0 2,-0.6 -0.903 360.0-165.8-152.1 118.4 -30.4 33.4 -13.4 3 4 A L E -A 229 0A 106 -2,-0.3 2,-0.6 226,-0.2 226,-0.2 -0.919 5.1-175.1-110.8 120.4 -28.9 30.4 -11.6 4 5 A I E -A 228 0A 19 224,-3.1 224,-3.6 -2,-0.6 2,-0.2 -0.951 14.4-148.1-116.9 114.5 -31.2 28.0 -9.7 5 6 A K E +A 227 0A 124 -2,-0.6 2,-0.3 222,-0.3 222,-0.2 -0.487 29.6 149.1 -79.5 149.4 -29.6 25.2 -7.7 6 7 A G - 0 0 10 220,-2.3 2,-0.7 -2,-0.2 199,-0.2 -0.902 50.4 -66.9-160.0-173.3 -31.4 21.9 -7.3 7 8 A I E -B 204 0A 87 197,-3.4 197,-3.4 -2,-0.3 2,-0.2 -0.818 46.0-131.6 -94.6 113.6 -30.9 18.2 -6.8 8 9 A A E +B 203 0A 15 -2,-0.7 195,-0.3 195,-0.3 3,-0.1 -0.469 32.5 168.9 -63.1 125.9 -29.5 16.5 -9.9 9 10 A A E + 0 0 4 193,-2.6 187,-0.3 1,-0.3 2,-0.3 0.461 65.6 23.5-117.3 -8.4 -31.6 13.4 -10.7 10 11 A S E S-B 202 0A 7 192,-1.4 192,-1.5 213,-0.2 -1,-0.3 -0.915 79.2-118.3-162.4 131.0 -30.3 12.5 -14.2 11 12 A D + 0 0 80 -2,-0.3 213,-0.1 190,-0.2 2,-0.1 -0.157 63.4 71.2 -71.1 164.5 -27.0 13.2 -16.0 12 13 A G S S- 0 0 0 189,-0.1 211,-1.6 188,-0.1 2,-0.5 -0.381 72.1 -98.0 115.0 164.5 -26.7 15.2 -19.2 13 14 A V E -C 222 0A 2 209,-0.2 2,-0.4 210,-0.2 209,-0.2 -0.954 33.7-166.4-125.8 110.8 -27.0 18.9 -20.3 14 15 A A E -C 221 0A 0 207,-2.0 207,-2.9 -2,-0.5 2,-0.4 -0.796 5.6-175.5-101.2 138.8 -30.2 19.9 -21.9 15 16 A I E +C 220 0A 34 -2,-0.4 2,-0.3 205,-0.2 205,-0.2 -0.891 31.0 109.4-137.4 103.4 -30.6 23.2 -23.8 16 17 A A E -C 219 0A 6 203,-2.2 203,-2.8 -2,-0.4 141,-0.2 -0.963 65.7 -67.9-161.0 174.1 -34.0 24.3 -25.1 17 18 A K E -Cd 218 157A 48 139,-1.0 141,-2.6 -2,-0.3 2,-0.3 -0.381 60.0 -96.0 -71.3 151.4 -36.9 26.7 -24.7 18 19 A A E - d 0 158A 0 199,-2.8 198,-1.7 196,-0.2 2,-0.6 -0.515 31.7-167.8 -74.5 124.6 -39.1 26.5 -21.6 19 20 A Y E - d 0 159A 65 139,-2.6 141,-3.3 -2,-0.3 2,-0.5 -0.966 17.0-145.1-109.0 117.0 -42.3 24.5 -21.8 20 21 A L E - d 0 160A 48 -2,-0.6 2,-1.4 139,-0.2 141,-0.2 -0.700 7.5-136.4 -87.1 125.2 -44.5 25.3 -18.7 21 22 A L - 0 0 15 139,-3.1 141,-0.4 -2,-0.5 2,-0.2 -0.638 24.4-153.7 -82.8 92.4 -46.5 22.4 -17.4 22 23 A V - 0 0 110 -2,-1.4 139,-0.0 139,-0.1 -1,-0.0 -0.466 6.8-145.7 -72.0 132.9 -49.9 24.1 -16.7 23 24 A E - 0 0 98 -2,-0.2 124,-0.1 1,-0.1 123,-0.1 -0.536 22.8 -93.1 -96.2 161.9 -52.0 22.4 -13.9 24 25 A P - 0 0 23 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.284 32.4-114.0 -69.7 156.4 -55.8 22.1 -13.7 25 26 A D + 0 0 110 1,-0.1 121,-0.0 121,-0.1 0, 0.0 -0.799 35.8 177.7 -90.9 96.5 -58.0 24.6 -11.9 26 27 A L + 0 0 54 -2,-1.1 2,-0.2 2,-0.0 -1,-0.1 0.155 32.8 130.8 -89.5 19.8 -59.4 22.4 -9.1 27 28 A T + 0 0 102 116,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.478 27.8 154.9 -72.9 142.7 -61.3 25.3 -7.5 28 29 A F - 0 0 41 -2,-0.2 2,-0.6 74,-0.0 -2,-0.0 -0.985 49.1 -82.2-162.0 164.4 -65.0 24.6 -6.6 29 30 A D > - 0 0 104 -2,-0.3 3,-0.8 1,-0.0 74,-0.2 -0.628 46.9-143.0 -76.8 115.9 -67.8 25.6 -4.4 30 31 A K T 3 S+ 0 0 133 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.363 76.7 12.6 -75.3 157.5 -67.5 23.9 -1.0 31 32 A N T 3 S+ 0 0 115 1,-0.2 2,-0.9 69,-0.1 -1,-0.2 0.769 79.4 163.1 47.4 32.6 -70.5 22.6 0.9 32 33 A E < - 0 0 101 -3,-0.8 68,-0.3 1,-0.0 -1,-0.2 -0.747 38.4-130.0 -82.3 106.8 -72.7 23.1 -2.1 33 34 A K - 0 0 134 -2,-0.9 2,-0.2 -3,-0.1 66,-0.2 -0.369 20.4-132.7 -63.0 127.8 -75.8 21.0 -1.3 34 35 A V - 0 0 16 64,-2.0 3,-0.1 1,-0.1 -1,-0.1 -0.576 11.7-158.2 -84.9 144.0 -76.7 18.6 -4.1 35 36 A T S S+ 0 0 151 1,-0.2 2,-0.7 -2,-0.2 -1,-0.1 0.913 85.6 45.5 -82.7 -50.1 -80.3 18.3 -5.4 36 37 A D > - 0 0 93 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.858 62.9-178.9-101.6 109.0 -79.9 14.9 -7.0 37 38 A V H > S+ 0 0 25 -2,-0.7 4,-2.5 2,-0.2 5,-0.2 0.949 85.4 45.4 -72.1 -51.4 -78.1 12.4 -4.8 38 39 A E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.818 114.0 52.8 -61.0 -31.6 -78.1 9.4 -7.1 39 40 A G H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 109.3 47.1 -67.1 -46.7 -77.1 11.8 -9.9 40 41 A E H X S+ 0 0 28 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.861 111.0 52.7 -64.8 -37.3 -74.1 13.1 -7.9 41 42 A V H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.905 110.2 47.1 -62.3 -43.7 -73.1 9.5 -7.0 42 43 A A H X S+ 0 0 54 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.851 107.6 57.4 -69.2 -34.9 -73.1 8.6 -10.7 43 44 A K H X S+ 0 0 104 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.921 110.4 43.7 -56.8 -46.1 -71.1 11.7 -11.5 44 45 A F H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.874 113.3 51.5 -68.6 -38.5 -68.5 10.5 -9.0 45 46 A N H X S+ 0 0 59 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.854 106.0 54.6 -66.7 -36.5 -68.6 6.9 -10.4 46 47 A S H X S+ 0 0 79 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.941 105.8 52.8 -62.2 -47.2 -68.2 8.1 -13.9 47 48 A A H X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.866 107.1 53.3 -53.3 -41.9 -65.0 9.9 -12.9 48 49 A I H X S+ 0 0 11 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.942 112.2 42.8 -61.1 -49.5 -63.7 6.7 -11.4 49 50 A E H X S+ 0 0 110 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.906 113.2 52.4 -64.3 -42.8 -64.3 4.7 -14.6 50 51 A A H X S+ 0 0 30 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.904 114.6 42.5 -60.4 -43.2 -62.9 7.5 -16.8 51 52 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.920 111.0 56.4 -66.4 -45.7 -59.7 7.6 -14.7 52 53 A K H X S+ 0 0 43 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.893 109.4 45.4 -55.1 -44.4 -59.5 3.9 -14.5 53 54 A V H X S+ 0 0 63 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.909 110.5 53.2 -69.4 -41.7 -59.5 3.5 -18.3 54 55 A E H X S+ 0 0 69 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.888 109.6 49.7 -57.2 -40.1 -57.0 6.3 -18.8 55 56 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.707 104.4 57.9 -76.2 -20.7 -54.6 4.6 -16.3 56 57 A T H X S+ 0 0 46 -4,-1.0 4,-2.1 -3,-0.5 5,-0.3 0.869 107.9 47.3 -74.7 -37.2 -54.9 1.2 -18.1 57 58 A K H X S+ 0 0 126 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.958 113.7 47.0 -63.6 -52.6 -53.7 2.8 -21.3 58 59 A I H < S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 116.4 47.1 -54.8 -41.5 -50.8 4.5 -19.5 59 60 A R H >X S+ 0 0 59 -4,-1.8 4,-1.6 2,-0.2 3,-1.4 0.977 111.9 40.9 -70.2 -61.8 -49.9 1.3 -17.7 60 61 A N H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.847 120.0 44.6 -63.9 -36.0 -49.9 -1.4 -20.3 61 62 A N T 3< S+ 0 0 104 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.393 101.4 69.4 -89.7 4.0 -48.2 0.7 -22.9 62 63 A A T X> S+ 0 0 9 -3,-1.4 4,-1.0 -4,-0.1 3,-0.6 0.917 104.5 45.4 -76.7 -53.9 -45.7 1.9 -20.3 63 64 A E T 3< S+ 0 0 45 -4,-1.6 5,-0.2 2,-0.2 4,-0.0 -0.315 109.8 40.9 -70.8 171.0 -44.3 -1.6 -20.3 64 65 A V T 34 S+ 0 0 131 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.1 0.263 122.8 51.5 66.9 -15.6 -43.7 -3.1 -23.7 65 66 A Q T <4 S- 0 0 98 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.562 132.3 -3.0-120.6 -22.2 -42.5 0.4 -24.4 66 67 A L S < S- 0 0 51 -4,-1.0 4,-0.2 1,-0.3 132,-0.0 -0.331 122.3 -26.8-174.3 84.1 -40.1 0.9 -21.5 67 68 A G - 0 0 35 1,-0.1 4,-0.5 2,-0.1 -1,-0.3 0.671 48.2-135.1 75.0 123.4 -39.5 -1.8 -18.9 68 69 A A S S+ 0 0 73 -5,-0.2 -5,-0.2 1,-0.2 -1,-0.1 0.446 105.8 49.9 -87.1 -1.0 -42.2 -4.3 -17.9 69 70 A D S > S+ 0 0 72 2,-0.1 3,-0.7 211,-0.1 -1,-0.2 0.521 96.4 66.9-111.4 -13.0 -41.5 -3.7 -14.3 70 71 A K T > S+ 0 0 45 1,-0.2 3,-0.9 -4,-0.2 4,-0.2 0.727 88.6 67.4 -80.6 -23.3 -41.6 0.1 -14.2 71 72 A A T >> S+ 0 0 1 -4,-0.5 4,-1.3 1,-0.2 3,-0.5 0.431 74.8 93.8 -75.6 1.6 -45.3 0.0 -15.0 72 73 A A H <> S+ 0 0 54 -3,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.867 74.0 62.3 -62.4 -38.0 -45.8 -1.5 -11.5 73 74 A I H <> S+ 0 0 29 -3,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.864 103.0 50.8 -56.1 -36.0 -46.4 2.0 -10.0 74 75 A F H <> S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.3 -1,-0.2 0.857 103.1 56.8 -72.5 -34.9 -49.5 2.2 -12.3 75 76 A D H X S+ 0 0 75 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.766 106.8 52.8 -61.6 -23.7 -50.7 -1.1 -11.1 76 77 A A H X S+ 0 0 34 -4,-1.2 4,-0.9 2,-0.2 -2,-0.3 0.745 108.7 48.4 -81.5 -26.4 -50.5 0.6 -7.7 77 78 A H H X S+ 0 0 3 -4,-0.9 4,-1.2 -3,-0.2 -2,-0.2 0.886 109.8 50.0 -78.4 -41.7 -52.6 3.5 -9.0 78 79 A L H < S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.824 105.5 59.0 -65.4 -31.9 -55.3 1.3 -10.5 79 80 A L H >< S+ 0 0 109 -4,-0.9 3,-1.9 -5,-0.2 4,-0.4 0.901 99.8 56.7 -63.0 -43.0 -55.5 -0.6 -7.2 80 81 A V H >< S+ 0 0 17 -4,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.898 101.9 55.8 -54.0 -44.6 -56.4 2.6 -5.4 81 82 A L T 3< S+ 0 0 7 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.493 110.1 47.6 -69.6 -2.5 -59.4 3.1 -7.7 82 83 A D T < S+ 0 0 93 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.393 81.6 112.8-116.1 -0.7 -60.6 -0.3 -6.7 83 84 A D X> - 0 0 35 -3,-1.4 4,-2.0 -4,-0.4 3,-1.7 -0.653 48.1-164.5 -84.0 107.8 -60.2 0.0 -2.9 84 85 A P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.837 88.1 68.8 -56.8 -34.1 -63.6 0.0 -1.2 85 86 A E H 34 S+ 0 0 93 1,-0.2 -2,-0.1 2,-0.2 0, 0.0 0.828 111.8 31.5 -52.9 -32.6 -61.9 1.4 1.9 86 87 A L H <> S+ 0 0 16 -3,-1.7 4,-0.5 -6,-0.2 -1,-0.2 0.777 123.7 44.1 -97.9 -32.0 -61.4 4.6 -0.0 87 88 A I H >X S+ 0 0 28 -4,-2.0 4,-2.1 2,-0.2 3,-0.9 0.934 104.0 59.4 -82.0 -50.6 -64.4 4.7 -2.3 88 89 A Q H 3X S+ 0 0 94 -4,-2.0 4,-3.6 1,-0.3 5,-0.2 0.868 102.4 53.5 -47.0 -48.5 -67.2 3.7 0.1 89 90 A P H 3> S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.834 108.4 51.2 -62.5 -30.9 -66.7 6.7 2.4 90 91 A I H > - 0 0 4 -68,-0.3 4,-2.5 -2,-0.2 3,-0.6 -0.390 30.4-109.9 -71.4 155.0 -71.1 17.3 -3.8 101 102 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 116.6 59.2 -54.2 -36.9 -68.6 14.7 -5.2 102 103 A A H 3> S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 111.7 37.9 -62.8 -40.8 -65.9 17.4 -5.2 103 104 A T H <> S+ 0 0 5 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.904 115.6 51.7 -77.8 -43.5 -66.1 18.1 -1.5 104 105 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.896 112.7 47.6 -58.7 -40.7 -66.7 14.5 -0.4 105 106 A L H X S+ 0 0 12 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.934 113.2 47.7 -65.8 -46.5 -63.6 13.5 -2.5 106 107 A T H X S+ 0 0 45 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.951 112.0 47.7 -59.1 -54.0 -61.5 16.2 -1.1 107 108 A D H X S+ 0 0 67 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.915 115.1 43.7 -57.6 -50.0 -62.3 15.6 2.6 108 109 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.906 115.1 49.2 -65.2 -42.1 -61.8 11.8 2.5 109 110 A T H X S+ 0 0 22 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.944 110.8 49.7 -60.3 -49.1 -58.6 12.1 0.5 110 111 A T H X S+ 0 0 78 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.879 111.1 51.7 -59.1 -38.3 -57.2 14.7 2.9 111 112 A Q H X S+ 0 0 105 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.967 114.5 39.4 -62.2 -55.9 -58.1 12.5 5.8 112 113 A F H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.910 115.8 51.1 -62.7 -44.5 -56.4 9.3 4.5 113 114 A V H X S+ 0 0 6 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.888 108.2 52.4 -62.5 -40.3 -53.3 11.1 3.1 114 115 A T H X S+ 0 0 72 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.923 111.4 46.0 -62.4 -45.9 -52.7 13.0 6.3 115 116 A I H < S+ 0 0 104 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.5 44.1 -63.4 -45.1 -52.7 9.8 8.4 116 117 A F H < S+ 0 0 17 -4,-2.2 3,-0.3 1,-0.2 5,-0.3 0.894 114.8 47.4 -70.6 -40.2 -50.5 7.8 6.0 117 118 A E H < S+ 0 0 68 -4,-2.6 2,-1.7 1,-0.3 -2,-0.2 0.877 105.8 58.3 -71.4 -38.3 -47.9 10.6 5.4 118 119 A S S < S+ 0 0 98 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.3 -0.456 93.6 97.4 -84.9 62.1 -47.6 11.4 9.1 119 120 A M S S- 0 0 73 -2,-1.7 2,-2.8 -3,-0.3 6,-0.1 -0.931 78.7-128.3-158.9 121.6 -46.5 7.8 9.6 120 121 A D S S+ 0 0 75 -2,-0.3 2,-0.4 4,-0.1 348,-0.2 -0.255 74.0 105.3 -76.0 57.1 -43.0 6.4 9.8 121 122 A N > - 0 0 33 -2,-2.8 4,-2.2 -5,-0.3 5,-0.2 -0.993 60.8-148.5-141.1 131.3 -43.5 3.7 7.2 122 123 A E H > S+ 0 0 81 -2,-0.4 4,-1.9 2,-0.2 5,-0.1 0.955 100.4 46.9 -61.3 -54.5 -42.3 3.5 3.6 123 124 A Y H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 113.1 50.0 -55.7 -44.5 -45.2 1.6 2.1 124 125 A M H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 110.1 49.6 -63.3 -40.5 -47.7 3.9 3.9 125 126 A K H X S+ 0 0 53 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.813 109.5 54.7 -65.7 -29.5 -45.9 7.0 2.6 126 127 A E H X S+ 0 0 108 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.868 105.8 50.0 -71.6 -39.4 -46.0 5.4 -0.9 127 128 A R H X S+ 0 0 41 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.907 107.5 53.9 -67.2 -41.8 -49.8 4.9 -0.8 128 129 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.925 107.5 51.9 -56.5 -45.2 -50.4 8.5 0.2 129 130 A A H X S+ 0 0 38 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.900 112.0 45.9 -57.7 -43.2 -48.3 9.6 -2.8 130 131 A D H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.923 109.4 53.3 -66.5 -45.9 -50.5 7.4 -5.1 131 132 A I H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.851 107.0 54.8 -58.6 -34.4 -53.7 8.6 -3.6 132 133 A R H X S+ 0 0 97 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.955 109.3 45.9 -61.8 -51.1 -52.6 12.1 -4.3 133 134 A D H X S+ 0 0 34 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.912 117.7 42.4 -58.8 -45.8 -52.0 11.4 -8.0 134 135 A V H X S+ 0 0 6 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.893 110.8 53.4 -74.8 -40.3 -55.3 9.6 -8.5 135 136 A S H X S+ 0 0 17 -4,-2.5 4,-3.6 -5,-0.2 5,-0.3 0.929 108.5 51.7 -58.8 -45.1 -57.5 12.0 -6.5 136 137 A K H X S+ 0 0 90 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.938 113.8 44.4 -56.4 -47.3 -56.2 14.9 -8.5 137 138 A R H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.965 116.3 45.0 -60.0 -54.6 -57.1 12.9 -11.7 138 139 A V H X S+ 0 0 4 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.908 114.5 49.1 -56.9 -45.0 -60.5 11.8 -10.4 139 140 A L H X S+ 0 0 16 -4,-3.6 4,-2.3 -5,-0.2 -1,-0.2 0.913 104.7 60.0 -61.4 -44.5 -61.2 15.3 -9.1 140 141 A S H <>S+ 0 0 3 -4,-2.6 5,-2.5 -5,-0.3 4,-0.4 0.921 106.3 46.6 -47.9 -51.1 -60.2 16.7 -12.5 141 142 A H H ><5S+ 0 0 50 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.925 109.7 54.3 -57.5 -46.4 -62.9 14.7 -14.2 142 143 A I H 3<5S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 110.8 44.9 -60.6 -35.6 -65.5 15.7 -11.6 143 144 A L T 3<5S- 0 0 51 -4,-2.3 -1,-0.3 -3,-0.1 -2,-0.2 0.403 113.7-116.2 -90.0 3.3 -64.8 19.5 -12.2 144 145 A G T < 5S+ 0 0 61 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.918 74.1 123.9 62.9 44.4 -64.8 19.1 -16.0 145 146 A V < - 0 0 34 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.854 54.7-119.0-130.1 166.4 -61.2 20.1 -16.3 146 147 A E - 0 0 145 -2,-0.3 -121,-0.1 -3,-0.1 -9,-0.0 -0.852 12.7-132.5-116.2 145.5 -58.1 18.5 -17.8 147 148 A L - 0 0 52 -2,-0.4 -124,-0.1 1,-0.1 2,-0.1 -0.332 35.8 -98.1 -77.1 167.3 -54.7 17.3 -16.5 148 149 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -125,-0.1 -0.351 51.1 151.8 -78.3 168.1 -51.4 18.2 -18.1 149 150 A N - 0 0 86 -2,-0.1 2,-0.6 20,-0.0 3,-0.1 -0.901 48.4 -72.5-167.4-161.0 -49.6 15.8 -20.5 150 151 A P + 0 0 42 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.891 58.1 136.3-119.3 100.8 -47.2 15.3 -23.4 151 152 A S + 0 0 72 -2,-0.6 2,-0.4 3,-0.1 0, 0.0 0.312 30.9 156.8-124.1 2.3 -48.8 16.3 -26.7 152 153 A M - 0 0 34 1,-0.1 24,-0.1 -3,-0.1 2,-0.1 -0.656 29.5-177.4 -74.2 125.9 -45.9 18.3 -28.3 153 154 A I + 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 -0.925 58.0 15.1 76.1 26.8 -45.9 18.5 -31.2 154 155 A D S S+ 0 0 54 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 0.573 71.4 37.9 65.3 145.3 -42.6 20.5 -31.3 155 156 A E - 0 0 93 -3,-0.1 2,-0.7 20,-0.1 -1,-0.1 0.484 64.4 -88.5-117.8-142.3 -40.2 21.6 -30.5 156 157 A S + 0 0 55 -2,-0.1 -139,-1.0 21,-0.1 2,-0.3 -0.638 61.9 167.4 -67.1 113.5 -37.2 20.8 -28.4 157 158 A V E -de 17 177A 4 19,-1.8 21,-2.2 -2,-0.7 22,-0.8 -0.897 39.8-133.3-128.0 159.1 -38.3 22.0 -25.0 158 159 A V E -de 18 179A 0 -141,-2.6 -139,-2.6 -2,-0.3 2,-0.5 -0.978 33.9-126.1-107.8 121.1 -37.3 21.8 -21.4 159 160 A I E -de 19 180A 10 20,-2.1 22,-2.6 -2,-0.5 2,-0.5 -0.536 27.9-172.2 -71.8 119.0 -40.2 20.9 -19.2 160 161 A V E +de 20 181A 3 -141,-3.3 -139,-3.1 -2,-0.5 2,-0.3 -0.952 26.0 118.6-113.5 130.2 -40.7 23.4 -16.3 161 162 A G E - e 0 182A 4 20,-1.5 22,-1.2 -2,-0.5 3,-0.1 -0.981 69.4 -92.0-171.6 175.9 -43.3 22.7 -13.6 162 163 A N S S- 0 0 76 -141,-0.4 22,-2.8 1,-0.3 2,-0.3 0.948 100.3 -21.2 -68.3 -50.1 -44.0 22.1 -9.9 163 164 A D - 0 0 50 20,-0.2 2,-0.6 19,-0.2 -1,-0.3 -0.964 58.2-124.8-161.6 143.6 -43.7 18.3 -10.1 164 165 A L - 0 0 3 -2,-0.3 27,-0.2 20,-0.2 28,-0.1 -0.839 27.3-139.0 -95.0 119.6 -43.9 15.5 -12.7 165 166 A T >> - 0 0 28 -2,-0.6 4,-2.1 1,-0.1 3,-1.0 -0.403 26.8-109.8 -72.0 151.5 -46.5 12.9 -11.9 166 167 A P H 3> S+ 0 0 14 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.747 122.4 56.5 -51.9 -23.6 -45.5 9.2 -12.6 167 168 A S H 34 S+ 0 0 4 2,-0.2 4,-0.3 1,-0.1 -3,-0.0 0.830 106.8 46.9 -78.2 -34.9 -48.1 9.4 -15.4 168 169 A D H X4 S+ 0 0 13 -3,-1.0 3,-1.2 2,-0.2 4,-0.3 0.923 109.7 51.8 -71.3 -47.4 -46.4 12.5 -17.0 169 170 A T H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.815 106.8 54.0 -61.9 -32.7 -42.9 11.1 -16.9 170 171 A A T 3< S+ 0 0 23 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.635 106.9 53.4 -76.8 -13.0 -44.0 7.9 -18.6 171 172 A Q T < S+ 0 0 64 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.432 81.5 124.9 -97.7 -1.2 -45.5 9.9 -21.4 172 173 A L < - 0 0 11 -3,-0.9 2,-0.8 -4,-0.3 -3,-0.0 -0.384 51.4-150.1 -67.3 130.8 -42.3 11.9 -22.1 173 174 A N >> - 0 0 62 -2,-0.1 4,-2.5 1,-0.1 3,-2.4 -0.853 0.6-159.3-103.4 99.0 -41.0 11.8 -25.7 174 175 A K T 34 S+ 0 0 84 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.626 85.9 74.4 -53.5 -14.7 -37.2 12.1 -25.5 175 176 A E T 34 S+ 0 0 129 1,-0.1 -1,-0.3 -19,-0.0 -20,-0.1 0.866 118.4 11.3 -66.3 -37.1 -37.4 13.2 -29.2 176 177 A F T <4 S+ 0 0 48 -3,-2.4 -19,-1.8 -24,-0.1 2,-1.1 0.759 113.3 79.8-109.3 -42.0 -38.7 16.6 -28.1 177 178 A V E < +e 157 0A 10 -4,-2.5 -19,-0.2 -21,-0.2 -1,-0.1 -0.601 51.0 178.5 -74.7 100.2 -38.3 16.7 -24.3 178 179 A Q E - 0 0 35 -21,-2.2 2,-0.3 -2,-1.1 -20,-0.2 0.838 63.0 -51.1 -69.5 -34.8 -34.6 17.6 -23.8 179 180 A G E -e 158 0A 0 -22,-0.8 -20,-2.1 21,-0.2 2,-0.3 -0.946 53.0-120.7 173.5 171.9 -35.0 17.6 -20.1 180 181 A F E -ef 159 202A 6 21,-1.4 23,-1.5 -2,-0.3 2,-0.3 -0.943 8.1-164.9-136.6 158.2 -37.0 18.9 -17.1 181 182 A A E -ef 160 203A 0 -22,-2.6 -20,-1.5 -2,-0.3 2,-0.3 -0.978 16.1-174.6-142.0 128.6 -36.7 20.8 -13.9 182 183 A T E -e 161 0A 2 21,-1.2 24,-1.5 -2,-0.3 -20,-0.3 -0.842 34.2-125.7-125.4 158.8 -39.3 21.0 -11.1 183 184 A N S S+ 0 0 10 -22,-1.2 24,-3.0 -2,-0.3 2,-0.2 0.920 95.3 16.5 -62.4 -47.1 -39.9 22.8 -7.8 184 185 A I S S+ 0 0 82 -22,-2.8 21,-0.7 21,-0.3 -20,-0.2 -0.606 77.7 95.4-122.3-178.9 -40.3 19.6 -5.8 185 186 A G - 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0 0 19 -3,-1.3 4,-2.1 1,-0.1 3,-0.6 -0.453 64.8-129.4 -66.4 134.9 -19.7 10.3 9.8 480 481 A P H 3> S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.827 107.2 60.8 -56.2 -35.9 -16.2 9.5 11.2 481 482 A S H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.920 107.4 44.7 -56.2 -46.3 -17.7 6.8 13.5 482 483 A I H <> S+ 0 0 1 -3,-0.6 4,-2.8 -6,-0.3 3,-0.2 0.948 109.8 54.2 -65.1 -48.9 -19.0 4.9 10.5 483 484 A L H X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.880 106.7 53.8 -52.4 -40.7 -15.8 5.3 8.6 484 485 A R H X S+ 0 0 136 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.896 109.5 45.0 -65.0 -43.6 -13.9 3.8 11.5 485 486 A L H X S+ 0 0 36 -4,-1.6 4,-2.6 -3,-0.2 5,-0.2 0.936 113.4 52.4 -64.7 -44.8 -16.1 0.7 11.8 486 487 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.955 112.6 44.0 -52.3 -53.2 -15.8 0.3 8.0 487 488 A K H X S+ 0 0 50 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.911 110.2 56.6 -59.9 -42.5 -12.0 0.5 8.2 488 489 A Q H X S+ 0 0 83 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.910 109.1 45.8 -55.9 -45.7 -12.0 -1.9 11.1 489 490 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.951 113.0 49.4 -63.1 -49.9 -13.9 -4.5 9.1 490 491 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.927 110.9 49.5 -55.7 -49.9 -11.7 -4.0 6.0 491 492 A E H X S+ 0 0 100 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.928 110.0 51.5 -55.7 -48.1 -8.4 -4.3 8.0 492 493 A A H X S+ 0 0 7 -4,-2.0 4,-0.9 -5,-0.2 6,-0.2 0.915 107.3 52.1 -58.8 -45.7 -9.6 -7.5 9.8 493 494 A S H ><>S+ 0 0 0 -4,-2.3 5,-3.6 1,-0.2 3,-1.0 0.917 110.6 47.2 -60.2 -42.6 -10.5 -9.3 6.5 494 495 A H H ><5S+ 0 0 73 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.791 102.2 64.7 -70.4 -27.7 -7.1 -8.6 5.0 495 496 A K H 3<5S+ 0 0 143 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.762 112.9 35.2 -63.0 -25.0 -5.4 -9.8 8.1 496 497 A E T <<5S- 0 0 47 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.284 120.6-104.1-111.7 8.2 -6.9 -13.2 7.4 497 498 A G T < 5S+ 0 0 73 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.666 82.0 128.7 77.0 16.2 -6.6 -13.0 3.6 498 499 A K < - 0 0 58 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.279 51.6-125.6 -89.0-178.8 -10.4 -12.4 3.3 499 500 A W E -o 449 0C 39 -51,-0.6 -49,-2.1 -2,-0.1 2,-0.4 -0.965 8.3-146.6-133.2 152.5 -12.1 -9.6 1.4 500 501 A T E +o 450 0C 0 -2,-0.3 23,-1.9 20,-0.2 22,-1.6 -0.965 17.1 179.1-119.3 130.4 -14.6 -6.9 2.2 501 502 A G E -op 451 523C 0 -51,-2.5 -49,-2.5 -2,-0.4 2,-0.4 -0.797 19.4-139.5-119.5 167.1 -17.3 -5.5 -0.1 502 503 A M E +op 452 524C 0 21,-1.6 23,-2.5 -2,-0.3 -49,-0.1 -0.952 19.7 172.7-131.3 116.1 -20.0 -2.9 0.3 503 504 A C + 0 0 3 -51,-1.1 2,-0.2 -2,-0.4 -50,-0.1 0.179 49.3 109.5-106.9 15.2 -23.5 -3.4 -1.2 504 505 A G S > S- 0 0 0 -52,-0.7 3,-2.3 1,-0.1 4,-0.4 -0.577 87.2-105.2 -82.8 155.9 -25.0 -0.3 0.4 505 506 A E G > S+ 0 0 117 1,-0.3 3,-1.1 -2,-0.2 4,-0.3 0.754 115.8 71.8 -52.0 -30.0 -25.9 2.7 -1.8 506 507 A M G > S+ 0 0 16 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.777 86.1 66.4 -58.0 -28.1 -22.8 4.5 -0.5 507 508 A A G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 102.8 44.6 -66.2 -32.5 -20.6 2.2 -2.5 508 509 A G G < S+ 0 0 12 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.3 0.401 87.5 115.0 -91.6 2.0 -21.9 3.5 -5.8 509 510 A D X> - 0 0 60 -3,-1.1 4,-1.3 -4,-0.3 3,-1.0 -0.621 63.2-143.9 -80.8 124.6 -21.7 7.1 -4.7 510 511 A E T 34 S+ 0 0 59 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.587 100.7 46.6 -65.6 -9.8 -19.1 9.1 -6.7 511 512 A T T 34 S+ 0 0 57 2,-0.1 4,-0.3 -5,-0.1 -1,-0.3 0.632 112.5 46.9-104.2 -18.8 -18.1 11.1 -3.6 512 513 A A T <> S+ 0 0 1 -3,-1.0 4,-2.0 -6,-0.2 -2,-0.2 0.534 95.7 78.3 -97.4 -9.0 -17.8 8.2 -1.2 513 514 A I H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.926 87.9 51.4 -68.6 -48.9 -15.7 6.0 -3.6 514 515 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.846 112.4 49.6 -60.5 -32.9 -12.3 7.7 -3.2 515 516 A L H > S+ 0 0 3 -4,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.947 111.1 46.9 -65.4 -51.7 -12.7 7.3 0.6 516 517 A L H X>S+ 0 0 1 -4,-2.0 5,-2.3 2,-0.2 4,-0.9 0.865 111.2 53.7 -61.1 -36.7 -13.6 3.6 0.4 517 518 A L H ><5S+ 0 0 7 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.977 108.4 48.2 -58.2 -56.7 -10.7 3.1 -2.0 518 519 A G H 3<5S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.648 107.1 58.2 -59.6 -17.7 -8.3 4.7 0.5 519 520 A L H 3<5S- 0 0 11 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.669 120.8-107.4 -86.1 -18.6 -9.8 2.5 3.2 520 521 A G T <<5 + 0 0 16 -3,-1.7 -20,-0.2 -4,-0.9 -3,-0.2 0.515 50.1 178.5 107.5 10.2 -8.9 -0.7 1.2 521 522 A L < - 0 0 6 -5,-2.3 -1,-0.2 1,-0.1 -20,-0.1 -0.188 12.8-166.0 -52.0 125.1 -12.4 -1.7 0.1 522 523 A D + 0 0 45 -22,-1.6 -251,-1.6 1,-0.2 2,-0.4 0.897 67.1 30.0 -81.8 -44.6 -12.1 -4.8 -2.1 523 524 A E E -ip 271 501C 2 -23,-1.9 -21,-1.6 -253,-0.2 2,-0.5 -0.951 58.0-161.6-125.2 140.1 -15.6 -4.9 -3.7 524 525 A F E -ip 272 502C 0 -253,-3.4 -251,-3.2 -2,-0.4 2,-0.5 -0.952 10.3-170.8-118.2 111.0 -18.1 -2.2 -4.6 525 526 A S E +i 273 0C 0 -23,-2.5 -18,-0.3 -2,-0.5 -251,-0.2 -0.882 25.4 135.3-101.7 133.8 -21.7 -3.3 -5.2 526 527 A M E -i 274 0C 2 -253,-1.9 -251,-2.5 -2,-0.5 2,-0.3 -0.834 59.1 -52.3-154.9-177.1 -24.1 -0.8 -6.6 527 528 A S >> - 0 0 47 -2,-0.2 3,-2.6 -253,-0.2 4,-0.6 -0.587 52.7-122.1 -69.8 136.2 -26.9 -0.1 -9.2 528 529 A A H >> S+ 0 0 15 1,-0.3 3,-0.6 -253,-0.3 4,-0.5 0.749 109.1 71.1 -53.4 -24.4 -25.7 -1.3 -12.6 529 530 A T H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.498 102.4 42.6 -72.6 -1.9 -26.3 2.2 -13.8 530 531 A S H <> S+ 0 0 36 -3,-2.6 4,-2.2 2,-0.1 -1,-0.2 0.507 87.2 89.2-120.0 -11.0 -23.3 3.4 -11.8 531 532 A I H S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 110.4 51.8 -67.1 -40.3 -18.8 5.7 -13.9 534 535 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.918 108.9 50.2 -62.0 -44.8 -17.2 4.0 -10.9 535 536 A R H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.882 110.2 50.8 -60.6 -38.9 -14.7 2.2 -13.1 536 537 A R H X S+ 0 0 100 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.936 114.9 42.6 -65.7 -46.6 -13.8 5.4 -14.8 537 538 A Q H >< S+ 0 0 36 -4,-2.4 3,-1.1 2,-0.2 -2,-0.2 0.957 116.9 45.4 -63.3 -53.2 -13.2 7.2 -11.5 538 539 A I H >< S+ 0 0 0 -4,-3.2 3,-2.0 1,-0.3 -273,-0.4 0.896 107.5 57.2 -60.8 -42.4 -11.3 4.4 -9.9 539 540 A N H 3< S+ 0 0 45 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.693 107.8 50.6 -63.4 -17.1 -9.1 3.7 -12.9 540 541 A G T << S+ 0 0 55 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.2 0.318 100.6 82.7-102.5 6.9 -8.0 7.3 -12.7 541 542 A L < - 0 0 34 -3,-2.0 -276,-3.5 -4,-0.1 2,-0.5 -0.653 69.2-132.2-110.4 165.3 -7.1 7.3 -9.0 542 543 A S > - 0 0 16 -2,-0.2 4,-2.1 -278,-0.2 3,-0.4 -0.971 7.1-152.5-117.1 117.9 -4.1 6.2 -6.9 543 544 A K H > S+ 0 0 69 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.873 96.3 61.4 -56.0 -36.9 -4.9 4.1 -3.8 544 545 A N H > S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.924 107.9 41.0 -54.6 -49.2 -1.8 5.5 -2.2 545 546 A E H > S+ 0 0 119 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.852 114.9 51.2 -70.4 -35.6 -3.1 9.1 -2.3 546 547 A M H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.722 102.5 62.5 -74.8 -21.8 -6.6 8.1 -1.3 547 548 A T H X S+ 0 0 36 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.946 105.0 45.2 -64.7 -49.3 -5.2 6.2 1.6 548 549 A E H X S+ 0 0 93 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.905 112.5 52.4 -61.7 -41.0 -3.8 9.3 3.1 549 550 A L H >X S+ 0 0 5 -4,-1.6 4,-1.2 1,-0.2 3,-0.7 0.906 110.1 48.4 -58.9 -43.7 -7.0 11.1 2.4 550 551 A A H 3X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.895 106.1 56.5 -65.0 -41.4 -9.0 8.4 4.2 551 552 A N H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.640 107.9 49.3 -67.8 -14.3 -6.7 8.4 7.2 552 553 A R H << S+ 0 0 116 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.745 109.1 53.0 -89.8 -28.0 -7.5 12.1 7.6 553 554 A A H >< S+ 0 0 1 -4,-1.2 3,-2.5 -3,-0.3 -2,-0.2 0.923 101.3 56.5 -72.2 -46.9 -11.2 11.5 7.4 554 555 A V T 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.724 106.2 54.4 -60.7 -19.9 -11.4 8.9 10.1 555 556 A D T 3 S+ 0 0 118 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.171 85.1 113.5-100.8 17.1 -9.9 11.4 12.4 556 557 A C < - 0 0 20 -3,-2.5 3,-0.1 1,-0.1 -3,-0.1 -0.482 63.2-140.6 -82.0 162.2 -12.5 14.1 11.7 557 558 A A S S+ 0 0 86 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.651 76.6 14.7 -99.9 -20.4 -14.9 15.2 14.4 558 559 A T S > S- 0 0 52 1,-0.1 4,-1.5 -80,-0.1 -1,-0.2 -0.963 74.0-109.0-150.2 164.6 -18.1 15.5 12.4 559 560 A Q H > S+ 0 0 47 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.883 118.4 60.1 -63.5 -37.4 -19.6 14.6 9.0 560 561 A E H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 103.9 49.8 -56.8 -40.8 -19.4 18.2 8.1 561 562 A E H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 113.6 46.3 -64.2 -39.6 -15.6 18.1 8.5 562 563 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.918 108.7 52.4 -70.2 -47.4 -15.4 14.9 6.4 563 564 A I H X S+ 0 0 52 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.854 113.8 45.5 -60.6 -34.5 -17.6 16.1 3.5 564 565 A E H X S+ 0 0 98 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.875 108.8 54.4 -76.7 -38.9 -15.5 19.3 3.2 565 566 A L H < S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.951 112.4 45.9 -56.2 -48.9 -12.2 17.4 3.4 566 567 A V H >< S+ 0 0 23 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.915 112.2 49.0 -60.1 -48.6 -13.4 15.3 0.5 567 568 A N H 3< S+ 0 0 98 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 122.6 31.8 -65.8 -30.8 -14.7 18.1 -1.6 568 569 A N T 3< S+ 0 0 134 -4,-2.0 -1,-0.2 -5,-0.1 2,-0.2 -0.009 83.1 139.8-121.3 31.0 -11.5 20.3 -1.3 569 570 A Y < 0 0 67 -3,-0.9 -3,-0.1 -4,-0.2 -4,-0.0 -0.496 360.0 360.0 -76.4 142.7 -8.7 17.8 -1.0 570 571 A V 0 0 165 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.539 360.0 360.0-116.1 360.0 -5.4 18.4 -2.8