==== 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 TRANSFERASE 25-MAY-04 1TED . COMPND 2 MOLECULE: PKS18; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.SANKARANARAYANAN,V.M.SHANMUGAM,R.RUKMINI . 1454 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1085 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 231 15.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 116 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 437 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 2 0 1 3 4 9 5 6 0 2 0 4 0 0 1 3 0 0 0 0 1 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 3 0 8 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 . 3 0 8 0 0 4 0 3 13 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 . 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 22 A A 0 0 83 0, 0.0 1037,-0.1 0, 0.0 1038,-0.1 0.000 360.0 360.0 360.0 99.1 -34.4 21.5 11.6 2 23 A Q + 0 0 140 575,-0.1 572,-0.1 1036,-0.1 575,-0.0 0.017 360.0 150.7-106.6 22.2 -32.2 18.8 13.1 3 24 A L - 0 0 35 1,-0.1 571,-0.4 570,-0.1 574,-0.1 0.026 57.5 -84.0 -49.0 161.9 -30.8 17.7 9.7 4 25 A P - 0 0 46 0, 0.0 527,-0.1 0, 0.0 -1,-0.1 -0.409 54.0 -95.6 -71.6 149.9 -27.3 16.3 9.6 5 26 A P - 0 0 10 0, 0.0 567,-0.1 0, 0.0 1023,-0.1 -0.278 50.6 -89.9 -61.5 152.8 -24.5 18.8 9.4 6 27 A A - 0 0 20 1022,-0.2 3,-0.1 1,-0.1 1019,-0.0 -0.383 47.9-113.2 -64.2 141.1 -23.2 19.6 5.9 7 28 A P - 0 0 38 0, 0.0 521,-0.1 0, 0.0 522,-0.1 -0.359 33.3 -94.5 -74.9 153.7 -20.3 17.3 4.8 8 29 A P - 0 0 19 0, 0.0 159,-0.1 0, 0.0 982,-0.1 -0.374 32.9-151.6 -62.2 152.0 -16.8 18.6 4.2 9 30 A T + 0 0 25 157,-0.1 205,-0.4 981,-0.1 2,-0.1 0.313 57.3 105.8-113.3 10.0 -16.5 19.3 0.5 10 31 A T - 0 0 19 156,-0.2 2,-0.4 203,-0.1 203,-0.2 -0.412 62.3-130.8 -86.3 162.7 -12.8 18.8 0.0 11 32 A V E -A 212 0A 32 201,-2.7 201,-1.4 -2,-0.1 2,-0.2 -0.946 19.3-119.5-118.2 137.3 -11.1 15.8 -1.6 12 33 A A E -AB 211 225A 0 213,-0.5 213,-2.8 -2,-0.4 2,-0.4 -0.539 31.0-167.6 -76.1 136.7 -8.2 13.7 -0.2 13 34 A V E -AB 210 224A 1 197,-2.5 197,-1.6 -2,-0.2 2,-1.0 -0.985 25.5-132.2-129.6 133.1 -5.0 13.7 -2.2 14 35 A I E +AB 209 223A 5 209,-3.2 209,-1.7 -2,-0.4 195,-0.2 -0.765 33.8 171.6 -81.0 109.0 -1.9 11.5 -1.9 15 36 A E E + 0 0 27 193,-2.7 2,-0.3 -2,-1.0 -1,-0.2 0.644 61.6 29.3 -97.2 -17.1 0.6 14.3 -2.1 16 37 A G E +A 208 0A 9 192,-1.2 192,-2.2 -3,-0.1 2,-0.3 -0.996 61.7 177.9-144.0 144.1 3.7 12.2 -1.2 17 38 A L E +A 207 0A 39 -2,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.947 3.0 176.2-151.6 126.6 4.5 8.5 -1.8 18 39 A A E -A 206 0A 5 188,-1.8 188,-1.8 -2,-0.3 2,-0.3 -0.940 10.3-157.2-132.3 154.8 7.7 6.6 -1.0 19 40 A T E +A 205 0A 23 -2,-0.3 2,-0.3 186,-0.2 186,-0.2 -0.945 17.2 159.4-131.8 149.1 8.7 2.9 -1.3 20 41 A G E +A 204 0A 7 184,-2.4 184,-3.1 -2,-0.3 310,-0.0 -0.976 13.2 176.6-169.4 154.4 11.3 0.8 0.4 21 42 A T - 0 0 28 -2,-0.3 182,-0.1 182,-0.2 38,-0.1 -0.950 46.3 -77.7-151.9 164.6 12.6 -2.7 1.3 22 43 A P - 0 0 21 0, 0.0 38,-0.1 0, 0.0 180,-0.1 -0.269 44.8-117.9 -63.1 162.4 15.6 -4.2 3.0 23 44 A R S S+ 0 0 89 35,-0.1 2,-0.3 37,-0.1 37,-0.1 0.767 81.2 105.2 -74.9 -28.1 18.7 -4.4 0.8 24 45 A R - 0 0 100 35,-0.4 35,-1.5 1,-0.1 2,-0.6 -0.387 57.7-155.9 -62.1 120.9 19.0 -8.2 0.8 25 46 A V E -R 58 0B 81 -2,-0.3 2,-0.6 33,-0.2 33,-0.2 -0.871 4.2-161.2-101.1 113.9 17.9 -9.6 -2.6 26 47 A V E -R 57 0B 26 31,-2.6 31,-1.0 -2,-0.6 2,-0.4 -0.848 13.2-138.7 -99.5 120.1 16.8 -13.3 -2.5 27 48 A N E > -R 56 0B 58 -2,-0.6 4,-3.3 29,-0.2 29,-0.2 -0.641 7.2-142.3 -78.8 126.5 16.8 -15.0 -5.8 28 49 A Q H > S+ 0 0 9 27,-2.5 4,-2.4 -2,-0.4 -1,-0.1 0.832 100.5 50.8 -55.9 -39.1 13.7 -17.2 -6.2 29 50 A S H > S+ 0 0 81 26,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.950 114.0 43.8 -65.9 -48.8 15.6 -20.0 -8.0 30 51 A D H > S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.929 111.8 55.1 -61.3 -43.9 18.3 -20.1 -5.3 31 52 A A H X S+ 0 0 11 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.928 106.4 51.0 -53.9 -48.6 15.6 -19.9 -2.7 32 53 A A H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.931 112.6 45.5 -56.2 -48.2 13.9 -23.0 -4.2 33 54 A D H X S+ 0 0 107 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.931 114.5 47.4 -62.7 -45.3 17.1 -25.0 -4.2 34 55 A R H < S+ 0 0 138 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.808 115.5 44.8 -68.0 -29.2 18.0 -23.9 -0.6 35 56 A V H >< S+ 0 0 13 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 0.856 105.0 63.1 -80.1 -36.4 14.6 -24.7 0.7 36 57 A A H 3< S+ 0 0 28 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.800 96.3 60.2 -57.3 -29.1 14.5 -28.0 -1.2 37 58 A E T 3< 0 0 160 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.832 360.0 360.0 -69.9 -30.9 17.4 -29.1 0.9 38 59 A L < 0 0 99 -3,-1.1 -3,-0.0 -4,-0.5 149,-0.0 0.030 360.0 360.0 -59.2 360.0 15.4 -28.8 4.1 39 ! 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 40 64 A G 0 0 137 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-114.0 12.1 -38.2 1.2 41 65 A Q > + 0 0 69 1,-0.1 3,-0.8 2,-0.0 0, 0.0 -0.775 360.0 169.6-110.8 85.5 10.4 -36.7 -1.9 42 66 A R T > + 0 0 44 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.135 45.1 115.5 -80.6 20.7 11.1 -32.9 -1.7 43 67 A E T 3> + 0 0 117 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.718 60.0 76.7 -60.8 -21.7 9.7 -32.7 -5.2 44 68 A R H <> S+ 0 0 170 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.854 88.2 56.2 -58.5 -38.4 7.0 -30.6 -3.6 45 69 A I H <4 S+ 0 0 18 -3,-1.4 5,-0.2 1,-0.2 -1,-0.2 0.956 101.1 52.4 -62.4 -56.3 9.3 -27.6 -3.4 46 70 A P H >> S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.850 113.3 45.3 -50.0 -41.7 10.3 -27.2 -7.0 47 71 A R H 3X S+ 0 0 150 -4,-1.2 4,-1.6 1,-0.3 2,-1.0 0.977 109.1 53.4 -66.5 -57.5 6.7 -27.1 -8.2 48 72 A V H 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.2 -3,-0.1 0.075 116.8 42.7 -68.1 28.6 5.4 -24.7 -5.5 49 73 A Y H X4 S+ 0 0 10 -2,-1.0 3,-0.9 -3,-0.8 5,-0.4 0.479 106.8 52.0-141.1 -38.3 8.2 -22.4 -6.7 50 74 A Q H 3< S+ 0 0 163 -4,-1.9 3,-0.3 -3,-0.3 -2,-0.2 0.672 110.9 54.2 -78.1 -14.3 8.3 -22.4 -10.4 51 75 A K T 3< S+ 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.340 86.8 83.2 -98.0 6.4 4.5 -21.7 -10.3 52 76 A S S < S- 0 0 4 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.1 0.796 83.2-142.7 -78.8 -29.3 5.0 -18.6 -8.0 53 77 A R + 0 0 164 -4,-0.4 2,-0.4 1,-0.3 268,-0.1 0.804 57.6 130.8 67.1 31.4 5.8 -16.2 -10.9 54 78 A I + 0 0 10 -5,-0.4 -1,-0.3 1,-0.1 264,-0.2 -0.956 35.4 176.7-118.3 133.4 8.3 -14.5 -8.6 55 79 A T S S- 0 0 89 263,-2.1 -27,-2.5 -2,-0.4 -26,-0.4 0.807 70.3 -5.6-100.2 -43.2 11.9 -13.7 -9.6 56 80 A T E -R 27 0B 29 262,-2.5 -1,-0.4 -29,-0.2 2,-0.3 -0.948 54.0-177.5-147.7 166.4 13.1 -11.9 -6.5 57 81 A R E -R 26 0B 5 -31,-1.0 -31,-2.6 -2,-0.3 2,-0.3 -0.958 26.9-114.3-162.4 153.3 12.0 -10.6 -3.1 58 82 A R E -R 25 0B 65 144,-0.4 144,-2.3 262,-0.4 2,-0.4 -0.723 25.0-170.7 -99.4 146.3 13.6 -8.6 -0.3 59 83 A M - 0 0 14 -35,-1.5 -35,-0.4 -2,-0.3 121,-0.1 -0.988 25.6-157.1-142.1 130.7 14.3 -9.8 3.3 60 84 A A S S+ 0 0 10 -2,-0.4 2,-0.3 -38,-0.1 -1,-0.1 0.842 93.4 34.8 -66.6 -34.4 15.4 -8.1 6.4 61 85 A V S S- 0 0 2 -3,-0.1 3,-0.1 -37,-0.1 -1,-0.1 -0.893 80.4-129.0-122.5 149.2 16.6 -11.4 7.7 62 86 A D > - 0 0 42 -2,-0.3 3,-2.7 1,-0.2 6,-0.3 -0.815 21.0-163.8 -98.6 93.5 18.0 -14.5 5.8 63 87 A P T 3 S+ 0 0 13 0, 0.0 9,-0.2 0, 0.0 -1,-0.2 0.785 88.7 45.5 -47.6 -34.4 15.7 -17.3 7.1 64 88 A L T 3 S+ 0 0 34 -3,-0.1 5,-0.1 4,-0.1 -2,-0.0 0.405 84.8 132.4 -93.5 4.1 18.2 -20.0 5.9 65 89 A D S <> S- 0 0 56 -3,-2.7 4,-2.3 1,-0.1 -4,-0.0 -0.132 72.5-111.3 -54.0 150.5 21.2 -18.2 7.4 66 90 A A T 4 S+ 0 0 85 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.905 117.4 47.1 -50.4 -46.3 23.6 -20.4 9.4 67 91 A K T >> S+ 0 0 135 1,-0.2 3,-1.7 2,-0.1 4,-0.6 0.983 113.5 43.6 -60.7 -62.1 22.6 -18.5 12.5 68 92 A F H >> S+ 0 0 17 -6,-0.3 4,-4.5 1,-0.3 3,-0.6 0.737 95.8 76.5 -59.1 -27.5 18.8 -18.5 12.1 69 93 A D H 3< S+ 0 0 32 -4,-2.3 -1,-0.3 1,-0.3 4,-0.2 0.608 100.2 44.6 -63.2 -8.8 18.6 -22.2 11.1 70 94 A V H <4 S+ 0 0 99 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.657 120.0 40.2-102.0 -24.3 19.2 -23.1 14.7 71 95 A F H X< S+ 0 0 40 -4,-0.6 3,-1.1 -3,-0.6 -2,-0.2 0.752 106.0 66.2 -90.2 -33.0 16.7 -20.5 15.9 72 96 A R T 3< S+ 0 0 3 -4,-4.5 -3,-0.2 1,-0.2 -1,-0.1 0.747 102.7 47.1 -61.4 -28.2 14.2 -21.2 13.1 73 97 A R T 3 S+ 0 0 172 -5,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.447 91.3 99.0 -97.1 -1.3 13.6 -24.7 14.4 74 98 A E < - 0 0 107 -3,-1.1 3,-0.4 1,-0.1 2,-0.1 -0.591 67.3-126.6 -89.8 149.8 13.0 -23.9 18.1 75 99 A P S S+ 0 0 87 0, 0.0 172,-0.1 0, 0.0 -1,-0.1 -0.419 83.2 31.1 -87.4 165.0 9.6 -23.5 19.7 76 100 A A S S+ 0 0 34 -2,-0.1 531,-0.4 531,-0.1 3,-0.3 0.784 73.6 128.4 61.5 32.7 8.3 -20.6 21.7 77 101 A T > + 0 0 7 -3,-0.4 4,-1.9 169,-0.3 3,-0.3 0.318 31.1 108.7 -99.8 7.9 10.3 -17.9 19.8 78 102 A I H > S+ 0 0 0 168,-2.6 4,-1.5 1,-0.2 5,-0.2 0.875 77.1 51.5 -51.7 -44.6 7.4 -15.6 19.1 79 103 A R H > S+ 0 0 33 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.892 110.7 47.9 -62.9 -40.4 8.5 -12.9 21.5 80 104 A D H > S+ 0 0 97 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.827 108.4 55.5 -69.7 -30.5 12.1 -12.8 20.1 81 105 A R H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.806 104.7 51.9 -72.1 -30.4 10.7 -12.6 16.6 82 106 A M H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.834 110.9 48.2 -73.5 -33.7 8.6 -9.5 17.4 83 107 A H H X S+ 0 0 94 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.900 110.4 51.9 -69.8 -39.2 11.8 -7.9 18.8 84 108 A L H X S+ 0 0 21 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.908 109.3 51.0 -61.5 -37.9 13.4 -9.0 15.6 85 109 A F H X S+ 0 0 3 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.959 111.2 46.5 -62.3 -51.4 10.6 -7.3 13.8 86 110 A Y H X S+ 0 0 64 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.938 108.0 56.6 -56.9 -49.7 11.1 -4.1 15.7 87 111 A E H < S+ 0 0 125 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 120.5 28.3 -51.3 -44.1 14.8 -4.1 15.2 88 112 A H H X S+ 0 0 57 -4,-1.7 4,-1.2 -3,-0.2 -1,-0.2 0.767 116.3 59.2 -91.0 -27.6 14.5 -4.2 11.4 89 113 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 -5,-0.2 5,-0.3 0.924 98.8 58.1 -68.2 -43.9 11.2 -2.4 11.0 90 114 A V H X S+ 0 0 19 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.931 106.4 45.0 -52.0 -59.3 12.2 0.9 12.6 91 115 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.917 117.9 45.5 -53.0 -47.0 15.2 1.7 10.4 92 116 A L H X S+ 0 0 19 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.894 115.1 45.0 -65.6 -43.3 13.2 0.9 7.2 93 117 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.880 112.6 51.2 -70.4 -39.0 10.0 2.7 8.3 94 118 A V H X S+ 0 0 9 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.926 112.8 47.5 -63.5 -42.5 11.9 5.8 9.4 95 119 A D H X S+ 0 0 58 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.952 114.5 43.5 -64.3 -50.2 13.7 5.9 6.1 96 120 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.907 110.8 55.0 -63.5 -42.4 10.6 5.5 3.9 97 121 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.888 108.6 49.9 -56.6 -42.5 8.5 7.9 5.9 98 122 A K H X S+ 0 0 107 -4,-1.7 4,-2.3 -5,-0.2 3,-0.2 0.893 107.1 53.7 -63.9 -42.5 11.3 10.5 5.3 99 123 A R H < S+ 0 0 132 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.851 107.0 52.4 -61.9 -34.8 11.3 9.8 1.6 100 124 A A H < S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 116.2 38.6 -71.2 -30.7 7.6 10.5 1.4 101 125 A L H >< S+ 0 0 31 -4,-1.3 3,-1.7 -3,-0.2 -2,-0.2 0.744 91.6 96.1 -89.6 -25.0 7.9 13.8 3.1 102 126 A A T 3< S+ 0 0 82 -4,-2.3 -1,-0.1 1,-0.3 -2,-0.1 0.717 88.5 37.4 -35.8 -48.3 11.1 14.8 1.4 103 127 A G T 3 S+ 0 0 76 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.669 98.6 93.4 -87.1 -13.8 9.7 16.9 -1.4 104 128 A L < - 0 0 35 -3,-1.7 -88,-0.0 -4,-0.2 -3,-0.0 -0.468 67.0-141.9 -82.3 150.7 6.8 18.6 0.5 105 129 A P + 0 0 113 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.294 57.0 133.5 -89.6 7.7 7.0 22.0 2.3 106 130 A Y - 0 0 49 -5,-0.2 2,-0.1 2,-0.1 -2,-0.1 -0.414 49.8-141.0 -66.3 129.9 4.9 20.8 5.2 107 131 A R > - 0 0 173 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.483 28.1-102.5 -84.5 161.0 6.3 21.7 8.5 108 132 A A G > S+ 0 0 23 1,-0.3 3,-1.2 2,-0.2 30,-0.6 0.815 119.0 60.9 -54.4 -37.0 6.2 19.2 11.4 109 133 A A G 3 S+ 0 0 77 1,-0.2 -1,-0.3 28,-0.1 -3,-0.0 0.711 96.2 63.6 -65.1 -19.9 3.3 21.0 13.1 110 134 A E G < S+ 0 0 64 -3,-1.7 62,-2.7 1,-0.1 2,-1.0 0.643 81.7 85.3 -80.4 -15.9 1.1 20.3 10.0 111 135 A I E < +c 172 0A 8 -3,-1.2 27,-0.3 -4,-0.4 62,-0.2 -0.762 48.7 163.3 -90.5 99.0 1.3 16.5 10.4 112 136 A G E + 0 0 5 60,-1.7 30,-2.6 -2,-1.0 2,-0.3 0.505 55.5 43.4 -96.0 -5.1 -1.5 15.7 12.8 113 137 A L E -cd 173 142A 1 59,-1.0 61,-3.4 28,-0.2 2,-0.5 -0.997 50.6-171.7-146.2 139.5 -2.0 11.9 12.2 114 138 A L E -cd 174 143A 0 28,-2.2 30,-1.9 -2,-0.3 2,-0.5 -0.978 10.0-167.9-129.6 114.6 0.2 8.9 11.8 115 139 A V E -cd 175 144A 0 59,-3.0 61,-3.4 -2,-0.5 2,-0.5 -0.918 3.9-169.3-108.1 125.3 -1.4 5.6 10.8 116 140 A L E -cd 176 145A 6 28,-2.3 30,-3.4 -2,-0.5 2,-0.4 -0.953 3.3-172.9-117.3 123.7 0.7 2.5 11.1 117 141 A A E +cd 177 146A 0 59,-2.7 61,-2.1 -2,-0.5 2,-0.3 -0.933 16.7 140.9-118.8 141.8 -0.4 -0.8 9.6 118 142 A T E - d 0 147A 2 28,-2.0 30,-1.1 -2,-0.4 31,-0.3 -0.963 31.4-171.0-166.8 158.9 1.2 -4.3 9.9 119 143 A S S S+ 0 0 5 59,-0.3 60,-0.1 -2,-0.3 28,-0.1 0.144 87.3 60.7-138.7 10.8 0.3 -7.9 10.3 120 144 A T S S+ 0 0 7 58,-0.4 129,-0.1 129,-0.0 59,-0.1 0.243 102.4 39.4-125.6 12.5 3.8 -9.2 11.0 121 145 A G + 0 0 0 57,-0.1 -36,-0.1 -36,-0.1 -38,-0.1 0.359 48.2 176.7-124.1-107.9 4.9 -7.4 14.1 122 146 A F + 0 0 7 1,-0.2 483,-0.3 -40,-0.1 2,-0.3 0.869 22.1 154.6 88.8 92.7 3.2 -6.4 17.4 123 147 A I - 0 0 20 1,-0.3 481,-0.2 481,-0.1 -1,-0.2 -0.992 46.5-104.6-148.4 152.0 5.4 -4.7 20.1 124 148 A A S S+ 0 0 7 479,-2.1 2,-0.6 -2,-0.3 -1,-0.3 0.858 112.1 17.2 -43.8-116.6 4.9 -2.3 23.1 125 149 A P S S- 0 0 18 0, 0.0 -1,-0.2 0, 0.0 385,-0.1 -0.561 104.8-164.5 -61.8 119.7 6.1 1.1 22.1 126 150 A G > - 0 0 7 -2,-0.6 4,-1.4 383,-0.1 3,-0.1 0.052 34.3 -72.1 -90.4-159.7 6.0 0.2 18.4 127 151 A V H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.0 0.828 124.3 62.8 -65.6 -32.3 7.3 1.4 15.1 128 152 A D H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 101.5 49.5 -61.0 -46.2 4.8 4.3 15.2 129 153 A V H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 110.1 51.4 -59.0 -45.4 6.4 5.8 18.4 130 154 A A H X S+ 0 0 5 -4,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.810 105.5 56.1 -62.4 -32.5 9.9 5.6 16.8 131 155 A I H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 6,-0.3 0.944 108.4 46.3 -65.0 -48.3 8.8 7.4 13.7 132 156 A V H X>S+ 0 0 4 -4,-1.8 5,-2.5 2,-0.2 4,-0.7 0.925 118.5 42.8 -59.4 -45.9 7.5 10.4 15.6 133 157 A K H <5S+ 0 0 71 -4,-2.1 3,-0.3 3,-0.2 -2,-0.2 0.931 117.8 45.5 -67.1 -46.0 10.7 10.5 17.7 134 158 A E H <5S+ 0 0 112 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.909 119.6 38.3 -65.1 -46.6 13.0 9.9 14.7 135 159 A L H <5S- 0 0 35 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.480 109.7-118.8 -85.4 -2.4 11.4 12.3 12.3 136 160 A G T <5 + 0 0 49 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.914 50.8 170.9 67.4 42.1 10.8 14.9 15.0 137 161 A L < - 0 0 14 -5,-2.5 -1,-0.1 -6,-0.3 -28,-0.1 -0.359 46.3 -73.6 -78.3 165.6 7.1 14.9 14.6 138 162 A S > - 0 0 32 -30,-0.6 3,-2.2 -27,-0.3 -1,-0.1 -0.403 33.4-133.5 -63.9 133.6 4.9 16.7 17.1 139 163 A P T 3 S+ 0 0 54 0, 0.0 454,-3.2 0, 0.0 -1,-0.2 0.709 107.4 55.5 -57.6 -20.0 4.6 14.9 20.5 140 164 A S T 3 S+ 0 0 58 452,-0.2 451,-0.3 2,-0.1 -2,-0.1 0.212 76.8 133.1-100.6 14.8 0.8 15.6 20.3 141 165 A I < - 0 0 3 -3,-2.2 2,-0.3 1,-0.1 -28,-0.2 -0.337 61.6-113.7 -65.0 146.9 0.3 13.9 16.9 142 166 A S E -d 113 0A 37 -30,-2.6 -28,-2.2 449,-0.1 2,-0.4 -0.657 36.8-165.2 -82.1 138.3 -2.7 11.6 16.7 143 167 A R E -d 114 0A 10 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.977 16.1-179.1-131.9 143.6 -1.7 7.9 16.2 144 168 A V E -d 115 0A 7 -30,-1.9 -28,-2.3 -2,-0.4 2,-0.6 -0.981 13.0-154.5-140.3 122.9 -3.6 4.8 15.2 145 169 A V E -d 116 0A 15 -2,-0.4 363,-0.9 -30,-0.2 2,-0.7 -0.888 7.4-162.9-103.9 122.8 -2.1 1.3 14.8 146 170 A V E +dE 117 507A 0 -30,-3.4 -28,-2.0 -2,-0.6 2,-0.3 -0.891 15.2 176.5-109.2 106.0 -3.9 -1.1 12.5 147 171 A N E +d 118 0A 5 359,-1.1 -28,-0.2 -2,-0.7 359,-0.1 -0.775 54.6 9.5-111.2 152.9 -3.0 -4.7 12.9 148 172 A F S S+ 0 0 10 -30,-1.1 -1,-0.2 -2,-0.3 -29,-0.2 0.718 78.1 118.6 55.5 30.8 -4.2 -8.0 11.3 149 173 A M > - 0 0 8 -31,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.212 62.7-160.8-102.2 11.8 -6.2 -6.4 8.5 150 174 A G G > - 0 0 3 1,-0.2 3,-1.7 2,-0.2 175,-0.3 -0.001 49.0 -5.4 54.5-143.9 -3.8 -8.2 6.2 151 175 A C G 3 S+ 0 0 22 202,-0.5 177,-0.3 1,-0.3 3,-0.3 0.669 133.4 52.1 -62.3 -20.0 -3.0 -7.5 2.5 152 176 A A G X> S+ 0 0 0 -3,-0.9 3,-1.3 201,-0.3 4,-1.0 0.310 74.6 107.6-101.8 9.8 -5.7 -4.9 2.3 153 177 A A H <> + 0 0 0 -3,-1.7 4,-2.7 1,-0.3 5,-0.2 0.721 65.5 69.2 -61.6 -24.6 -4.6 -2.8 5.3 154 178 A A H 3> S+ 0 0 1 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.877 101.5 49.6 -62.6 -33.1 -3.2 0.1 3.2 155 179 A M H <> S+ 0 0 20 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.889 110.9 46.1 -71.4 -41.7 -6.9 0.8 2.3 156 180 A N H X S+ 0 0 14 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.909 117.3 46.4 -66.1 -41.6 -8.2 0.8 5.9 157 181 A A H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.5 0.949 111.8 49.8 -64.5 -50.7 -5.3 3.0 6.9 158 182 A L H 3X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.867 107.2 55.6 -56.7 -39.8 -5.7 5.3 3.9 159 183 A G H 3X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.848 105.5 52.3 -63.1 -33.4 -9.4 5.7 4.7 160 184 A T H < S- 0 0 67 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.3 -0.722 75.2-176.0-124.6 78.2 -9.3 19.0 9.6 169 193 A P T 3 S+ 0 0 79 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 0.536 76.8 60.7 -48.7 -19.5 -8.5 20.6 6.1 170 194 A A T 3 S+ 0 0 77 40,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.554 96.9 72.9 -91.9 -6.2 -5.3 22.4 7.4 171 195 A M < - 0 0 54 -3,-2.2 40,-0.6 -6,-0.3 2,-0.3 -0.552 64.4-142.2-108.6 170.9 -3.5 19.2 8.4 172 196 A K E -cF 111 210A 22 -62,-2.7 -60,-1.7 -2,-0.2 -59,-1.0 -0.869 10.7-143.7-125.3 160.5 -1.7 16.3 6.8 173 197 A A E -cF 113 209A 0 36,-2.2 36,-3.1 -2,-0.3 2,-0.5 -0.964 4.5-146.1-128.5 144.2 -1.6 12.6 7.7 174 198 A L E -cF 114 208A 0 -61,-3.4 -59,-3.0 -2,-0.4 2,-0.5 -0.949 13.4-165.6-111.7 123.9 1.2 10.2 7.4 175 199 A V E -cF 115 207A 0 32,-3.0 32,-2.3 -2,-0.5 2,-0.4 -0.937 6.2-175.0-111.9 130.4 0.4 6.5 6.5 176 200 A V E -cF 116 206A 0 -61,-3.4 -59,-2.7 -2,-0.5 2,-0.5 -0.975 9.9-174.4-132.9 121.6 3.0 3.8 7.0 177 201 A C E +cF 117 205A 0 28,-3.0 28,-2.4 -2,-0.4 2,-0.4 -0.966 11.5 177.3-113.0 123.9 2.6 0.2 6.0 178 202 A I E - F 0 204A 0 -61,-2.1 2,-0.5 -2,-0.5 -58,-0.4 -0.989 3.9-177.6-131.7 124.1 5.6 -2.0 7.1 179 203 A E E + F 0 203A 0 24,-3.0 24,-2.6 -2,-0.4 2,-0.5 -0.963 10.1 176.5-131.7 120.0 5.7 -5.7 6.5 180 204 A L E + F 0 202A 0 -2,-0.5 3,-0.4 22,-0.2 22,-0.2 -0.735 14.3 156.8-121.4 80.8 8.4 -8.1 7.6 181 205 A C > + 0 0 15 20,-0.7 3,-3.5 -2,-0.5 4,-0.2 0.902 67.8 68.6 -69.5 -43.9 7.5 -11.6 6.7 182 206 A S G > S+ 0 0 8 1,-0.3 3,-1.2 -124,-0.2 -1,-0.2 0.769 91.1 65.8 -47.4 -28.8 11.1 -13.0 6.7 183 207 A V G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.682 101.0 48.3 -69.5 -18.1 11.0 -12.4 10.5 184 208 A N G < S+ 0 0 13 -3,-3.5 -1,-0.2 -4,-0.2 -2,-0.2 0.238 77.8 144.2-107.7 13.8 8.3 -15.1 10.9 185 209 A A < + 0 0 7 -3,-1.2 -3,-0.0 -4,-0.2 65,-0.0 -0.245 5.5 150.1 -54.8 134.6 10.0 -17.8 8.8 186 210 A V - 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