==== 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 1TEE . 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) . 51945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1084 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 227 15.6 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 . 91 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 2 1 7 10 4 6 0 2 0 4 0 0 2 2 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 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 . 4 1 7 2 0 2 2 0 14 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 . 6 2 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 89 0, 0.0 576,-0.2 0, 0.0 1037,-0.1 0.000 360.0 360.0 360.0 73.5 10.9 11.6 -16.2 2 23 A Q + 0 0 139 574,-0.1 572,-0.0 1036,-0.1 0, 0.0 -0.122 360.0 144.3-105.2 31.1 10.5 8.1 -17.8 3 24 A L - 0 0 50 1,-0.1 571,-0.2 570,-0.0 3,-0.1 -0.288 65.7 -79.5 -66.1 159.0 10.0 6.4 -14.4 4 25 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 527,-0.1 -0.232 59.1 -97.9 -56.4 148.5 7.5 3.6 -14.3 5 26 A P - 0 0 11 0, 0.0 526,-0.2 0, 0.0 567,-0.1 -0.363 50.6 -85.7 -67.6 153.4 3.9 4.9 -14.2 6 27 A A - 0 0 20 1022,-0.2 3,-0.1 1,-0.1 1019,-0.0 -0.288 53.1-114.8 -56.7 143.3 2.4 5.0 -10.7 7 28 A P - 0 0 37 0, 0.0 521,-0.1 0, 0.0 522,-0.1 -0.347 31.0 -91.4 -80.0 161.8 0.8 1.6 -9.8 8 29 A P - 0 0 22 0, 0.0 159,-0.1 0, 0.0 158,-0.1 -0.320 34.3-152.3 -63.9 161.8 -2.9 1.0 -9.3 9 30 A T + 0 0 16 157,-0.1 205,-0.4 981,-0.1 985,-0.1 0.366 55.8 98.6-122.3 6.0 -3.6 1.4 -5.6 10 31 A T - 0 0 11 156,-0.2 2,-0.4 203,-0.1 203,-0.2 -0.176 62.4-128.1 -85.9-178.9 -6.6 -0.9 -5.0 11 32 A V E -A 212 0A 28 201,-2.5 201,-1.7 154,-0.1 2,-0.2 -0.995 20.3-116.5-134.8 137.7 -6.8 -4.4 -3.6 12 33 A A E -AB 211 225A 1 213,-0.5 213,-2.6 -2,-0.4 2,-0.4 -0.502 33.7-166.0 -72.2 140.8 -8.5 -7.5 -5.1 13 34 A V E -AB 210 224A 1 197,-2.5 197,-1.7 211,-0.2 2,-1.2 -0.981 25.0-133.3-131.3 141.8 -11.4 -8.8 -3.1 14 35 A I E +AB 209 223A 6 209,-2.7 209,-1.1 -2,-0.4 195,-0.2 -0.816 32.9 170.1 -94.1 96.5 -13.3 -12.1 -3.2 15 36 A E E + 0 0 26 193,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.660 66.5 30.3 -81.9 -18.7 -16.8 -10.7 -3.1 16 37 A G E +A 208 0A 8 192,-1.3 192,-2.3 -3,-0.1 2,-0.3 -0.999 63.1 177.1-144.0 139.5 -18.3 -14.0 -3.9 17 38 A L E +A 207 0A 38 -2,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.974 7.7 167.7-139.2 147.7 -17.3 -17.6 -3.2 18 39 A A E -A 206 0A 4 188,-1.5 188,-2.2 -2,-0.3 2,-0.3 -0.970 10.3-168.2-161.5 148.7 -19.1 -20.8 -4.0 19 40 A T E +A 205 0A 16 -2,-0.3 2,-0.3 186,-0.2 186,-0.2 -0.980 10.1 164.0-142.1 153.5 -18.3 -24.5 -4.1 20 41 A G E -A 204 0A 7 184,-2.7 184,-3.0 -2,-0.3 -2,-0.0 -0.986 12.2-164.9-162.4 163.2 -20.0 -27.7 -5.3 21 42 A T - 0 0 25 -2,-0.3 182,-0.2 182,-0.3 38,-0.1 -0.970 40.6 -81.2-149.5 159.4 -19.3 -31.3 -6.2 22 43 A P - 0 0 20 0, 0.0 38,-0.1 0, 0.0 180,-0.1 -0.242 46.3-116.6 -59.4 160.8 -21.1 -34.1 -8.1 23 44 A R S S+ 0 0 87 35,-0.1 37,-0.1 37,-0.1 -2,-0.0 0.890 82.4 98.0 -69.6 -43.2 -23.8 -35.8 -6.1 24 45 A R - 0 0 116 35,-0.3 35,-1.4 36,-0.1 2,-0.5 -0.220 61.7-151.3 -53.5 129.4 -22.5 -39.4 -5.8 25 46 A V E -R 58 0B 82 33,-0.2 2,-0.6 31,-0.0 33,-0.2 -0.896 6.4-162.5-105.8 129.7 -20.8 -39.9 -2.4 26 47 A V E -R 57 0B 25 31,-2.9 31,-1.4 -2,-0.5 2,-0.5 -0.915 11.3-146.0-116.8 106.2 -18.1 -42.5 -2.2 27 48 A N E >> -R 56 0B 57 -2,-0.6 4,-2.5 29,-0.2 3,-0.7 -0.589 16.2-132.8 -72.9 120.7 -17.2 -43.7 1.3 28 49 A Q H 3> S+ 0 0 9 27,-2.9 4,-2.7 -2,-0.5 5,-0.2 0.791 102.6 53.3 -41.6 -46.5 -13.5 -44.4 1.4 29 50 A S H 3> S+ 0 0 81 26,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.934 111.9 44.8 -60.1 -46.6 -13.9 -47.8 3.2 30 51 A D H <> S+ 0 0 63 -3,-0.7 4,-3.2 2,-0.2 -2,-0.2 0.936 111.4 54.4 -61.4 -46.1 -16.3 -49.0 0.5 31 52 A A H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.921 107.6 50.9 -51.7 -49.0 -14.0 -47.6 -2.2 32 53 A A H X S+ 0 0 9 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.940 111.6 46.3 -55.7 -51.7 -11.1 -49.6 -0.7 33 54 A D H X S+ 0 0 92 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.939 112.3 50.2 -59.3 -48.9 -13.1 -52.9 -0.7 34 55 A R H >< S+ 0 0 135 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.937 116.8 40.5 -56.1 -48.7 -14.4 -52.4 -4.2 35 56 A V H >< S+ 0 0 11 -4,-2.7 3,-2.8 1,-0.2 -1,-0.2 0.890 104.7 66.7 -66.8 -40.1 -10.9 -51.7 -5.6 36 57 A A H 3< S+ 0 0 21 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.749 93.6 64.0 -52.9 -22.5 -9.4 -54.4 -3.4 37 58 A E T << 0 0 159 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.374 360.0 360.0 -84.9 4.1 -11.4 -56.8 -5.5 38 59 A L < 0 0 102 -3,-2.8 149,-0.0 4,-0.1 -3,-0.0 -0.115 360.0 360.0 -89.6 360.0 -9.5 -56.0 -8.7 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 0 140 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-100.3 -2.5 -63.0 -5.5 41 65 A Q + 0 0 71 1,-0.1 3,-0.4 2,-0.0 0, 0.0 -0.913 360.0 165.6-114.5 106.5 -2.1 -60.3 -2.8 42 66 A R + 0 0 39 -2,-0.6 3,-0.3 1,-0.2 -1,-0.1 -0.021 51.4 108.0-102.3 22.8 -4.6 -57.5 -2.9 43 67 A E > + 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.717 61.5 75.0 -71.8 -23.2 -3.4 -56.5 0.6 44 68 A R H > S+ 0 0 158 -3,-0.4 4,-2.1 1,-0.2 5,-0.2 0.948 91.1 56.7 -53.4 -49.8 -1.7 -53.5 -1.0 45 69 A I H > S+ 0 0 19 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.923 104.8 44.1 -49.6 -67.1 -5.1 -51.8 -1.4 46 70 A P H > S+ 0 0 38 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.914 113.2 57.6 -45.7 -47.7 -6.5 -51.8 2.2 47 71 A R H X S+ 0 0 148 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.946 110.0 38.0 -48.3 -67.5 -3.1 -50.6 3.3 48 72 A V H >X S+ 0 0 33 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.921 116.7 53.9 -56.5 -44.1 -2.7 -47.5 1.2 49 73 A Y H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.3 4,-0.4 0.928 102.5 53.9 -60.0 -47.4 -6.4 -46.6 1.6 50 74 A Q H 3< S+ 0 0 157 -4,-3.0 3,-0.3 1,-0.3 -1,-0.3 0.718 108.9 53.1 -62.3 -14.5 -6.5 -46.7 5.5 51 75 A K H << S+ 0 0 55 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.680 86.0 83.7 -92.1 -16.7 -3.6 -44.3 5.4 52 76 A S S << S- 0 0 6 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.1 0.742 83.0-142.1 -56.9 -30.1 -5.3 -41.7 3.1 53 77 A R + 0 0 158 -4,-0.4 2,-0.4 1,-0.3 268,-0.1 0.847 58.5 128.7 65.0 35.2 -7.1 -40.0 6.0 54 78 A I + 0 0 9 -5,-0.4 -1,-0.3 1,-0.1 264,-0.2 -0.966 35.9 178.5-120.1 137.5 -10.1 -39.5 3.7 55 79 A T + 0 0 83 263,-3.1 -27,-2.9 -2,-0.4 -26,-0.4 0.757 69.9 5.1-103.8 -39.8 -13.6 -40.6 4.7 56 80 A T E -R 27 0B 31 262,-1.8 -1,-0.4 -29,-0.3 2,-0.3 -0.986 54.3-174.9-147.9 155.1 -15.5 -39.6 1.6 57 81 A R E -R 26 0B 4 -31,-1.4 -31,-2.9 -2,-0.3 2,-0.4 -0.981 24.8-124.6-146.3 150.6 -15.1 -38.2 -1.9 58 82 A R E -R 25 0B 69 144,-0.4 144,-3.0 262,-0.4 2,-0.4 -0.813 25.2-167.1 -99.9 140.4 -17.6 -37.1 -4.6 59 83 A M - 0 0 19 -35,-1.4 -35,-0.3 -2,-0.4 121,-0.1 -0.962 24.0-157.4-136.0 122.3 -17.4 -38.6 -8.1 60 84 A A S S+ 0 0 10 -2,-0.4 2,-0.3 -38,-0.1 -1,-0.1 0.864 90.7 31.6 -56.9 -37.5 -19.1 -37.4 -11.2 61 85 A V S S- 0 0 6 -3,-0.1 -1,-0.1 -37,-0.1 120,-0.0 -0.911 79.0-127.8-125.2 149.1 -18.7 -41.0 -12.6 62 86 A D > - 0 0 57 -2,-0.3 3,-2.3 1,-0.2 6,-0.2 -0.748 24.2-169.7 -96.5 90.4 -18.6 -44.4 -10.9 63 87 A P T 3 S+ 0 0 9 0, 0.0 9,-0.2 0, 0.0 -1,-0.2 0.885 83.8 46.2 -45.1 -53.3 -15.3 -45.9 -12.2 64 88 A L T 3 S+ 0 0 36 4,-0.1 -2,-0.0 5,-0.1 5,-0.0 0.325 86.2 128.5 -78.2 11.0 -16.0 -49.4 -10.9 65 89 A D S <> S- 0 0 56 -3,-2.3 4,-3.1 1,-0.1 5,-0.2 -0.257 74.3-111.0 -63.6 153.5 -19.5 -49.4 -12.2 66 90 A A H > S+ 0 0 86 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.882 116.8 41.0 -53.4 -44.6 -20.6 -52.3 -14.4 67 91 A K H >> S+ 0 0 137 1,-0.2 3,-1.5 2,-0.2 4,-1.2 0.993 120.4 40.4 -66.9 -63.8 -20.8 -50.2 -17.5 68 92 A F H 3> S+ 0 0 3 1,-0.3 4,-4.0 -6,-0.2 5,-0.2 0.791 101.4 74.5 -55.9 -33.8 -17.7 -48.1 -17.0 69 93 A D H 3< S+ 0 0 30 -4,-3.1 4,-0.4 1,-0.2 -1,-0.3 0.770 100.7 42.0 -55.0 -30.9 -15.7 -51.1 -15.7 70 94 A V H X< S+ 0 0 82 -3,-1.5 3,-1.2 -4,-0.5 4,-0.2 0.929 117.7 45.7 -80.0 -48.6 -15.4 -52.5 -19.3 71 95 A F H >< S+ 0 0 42 -4,-1.2 3,-1.7 1,-0.3 -2,-0.2 0.884 106.5 62.8 -56.6 -41.9 -14.7 -49.1 -20.8 72 96 A R T 3< S+ 0 0 12 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.740 101.8 50.7 -57.3 -27.8 -12.2 -48.4 -18.0 73 97 A R T < S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.353 91.7 92.7 -98.4 7.6 -10.1 -51.3 -19.1 74 98 A E S < S- 0 0 104 -3,-1.7 3,-0.4 -4,-0.2 2,-0.1 -0.600 71.3-116.5 -99.8 161.8 -9.7 -50.5 -22.8 75 99 A P S S+ 0 0 87 0, 0.0 172,-0.1 0, 0.0 -1,-0.1 -0.486 86.6 26.5 -91.9 163.0 -6.9 -48.5 -24.5 76 100 A A S S+ 0 0 30 -2,-0.1 3,-0.5 1,-0.1 531,-0.4 0.676 73.0 130.2 62.5 22.9 -7.2 -45.2 -26.4 77 101 A T >> + 0 0 6 -3,-0.4 4,-1.9 1,-0.2 3,-0.7 0.392 34.4 106.8 -87.3 5.9 -10.3 -44.0 -24.5 78 102 A I H 3> S+ 0 0 0 168,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.847 75.4 52.6 -53.1 -40.9 -8.8 -40.6 -23.8 79 103 A R H 3> S+ 0 0 28 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.857 111.3 47.4 -66.7 -33.0 -11.0 -38.7 -26.3 80 104 A D H <> S+ 0 0 89 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.820 108.4 54.5 -76.6 -31.2 -14.1 -40.2 -24.8 81 105 A R H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.879 106.6 51.7 -69.0 -35.7 -13.0 -39.4 -21.3 82 106 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.854 112.2 46.0 -69.5 -33.0 -12.5 -35.7 -22.3 83 107 A H H X S+ 0 0 89 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.949 111.2 51.8 -70.5 -48.4 -16.0 -35.7 -23.7 84 108 A L H X S+ 0 0 23 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.844 109.5 52.6 -53.4 -36.0 -17.2 -37.4 -20.6 85 109 A F H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.982 109.5 45.7 -63.8 -58.7 -15.4 -34.6 -18.7 86 110 A Y H X S+ 0 0 67 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.876 111.1 56.6 -50.7 -41.8 -17.2 -31.8 -20.7 87 111 A E H < S+ 0 0 124 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 116.2 31.8 -58.7 -49.5 -20.4 -33.7 -20.2 88 112 A H H X S+ 0 0 59 -4,-2.0 4,-1.2 -3,-0.2 -2,-0.2 0.803 116.6 57.1 -81.6 -29.0 -20.3 -33.8 -16.4 89 113 A A H X S+ 0 0 0 -4,-3.0 4,-3.7 -5,-0.2 5,-0.3 0.900 95.0 61.6 -69.9 -45.5 -18.4 -30.5 -15.8 90 114 A V H X S+ 0 0 21 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.928 105.4 46.6 -49.3 -55.9 -20.7 -28.1 -17.6 91 115 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.951 119.5 40.6 -51.5 -56.6 -23.7 -28.7 -15.2 92 116 A L H X S+ 0 0 19 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.925 115.9 48.5 -58.4 -52.2 -21.5 -28.5 -12.1 93 117 A A H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 -1,-0.2 0.891 113.9 47.7 -59.2 -41.8 -19.4 -25.5 -13.2 94 118 A V H X S+ 0 0 9 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.919 111.5 50.1 -67.0 -44.0 -22.5 -23.6 -14.3 95 119 A D H X S+ 0 0 65 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.934 114.0 44.1 -62.3 -44.6 -24.4 -24.3 -11.1 96 120 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 109.3 56.0 -66.9 -42.6 -21.4 -23.2 -8.9 97 121 A S H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.898 108.7 49.0 -55.7 -42.4 -20.7 -20.1 -11.0 98 122 A K H >X S+ 0 0 109 -4,-1.9 4,-2.9 2,-0.2 3,-0.5 0.952 107.9 52.3 -63.3 -50.3 -24.3 -19.0 -10.4 99 123 A R H 3X S+ 0 0 130 -4,-2.0 4,-0.8 1,-0.3 -2,-0.2 0.910 107.8 53.5 -52.6 -43.2 -24.2 -19.6 -6.6 100 124 A A H 3< S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.2 -1,-0.3 0.862 116.4 38.4 -59.8 -36.1 -21.1 -17.4 -6.5 101 125 A L H << S+ 0 0 30 -4,-1.5 3,-0.3 -3,-0.5 -2,-0.2 0.737 93.5 84.6 -88.0 -25.4 -22.9 -14.6 -8.3 102 126 A A H < S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.1 0.883 92.3 48.0 -43.6 -51.3 -26.3 -15.0 -6.6 103 127 A G S < S+ 0 0 72 -4,-0.8 -1,-0.2 -3,-0.1 -2,-0.1 0.904 101.0 74.8 -60.9 -44.2 -25.3 -12.8 -3.7 104 128 A L S S- 0 0 29 -4,-0.4 -88,-0.0 -3,-0.3 -3,-0.0 -0.345 70.1-144.0 -74.3 152.6 -23.8 -10.0 -5.7 105 129 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.294 54.1 134.6 -94.7 6.0 -25.8 -7.4 -7.6 106 130 A Y - 0 0 53 -5,-0.2 2,-0.2 1,-0.1 -2,-0.0 -0.324 51.2-133.9 -62.4 137.9 -23.4 -7.1 -10.5 107 131 A R >> - 0 0 175 1,-0.1 3,-3.3 -2,-0.0 4,-0.5 -0.636 26.4-105.3 -91.1 150.0 -24.9 -7.2 -13.9 108 132 A A G >4 S+ 0 0 20 1,-0.3 3,-0.8 -2,-0.2 30,-0.5 0.750 120.2 62.9 -45.4 -29.5 -23.5 -9.4 -16.7 109 133 A A G 34 S+ 0 0 77 1,-0.2 -1,-0.3 28,-0.1 -3,-0.0 0.755 96.2 59.9 -70.1 -21.9 -22.0 -6.3 -18.3 110 134 A E G <4 S+ 0 0 68 -3,-3.3 62,-2.9 1,-0.1 2,-1.0 0.640 85.2 85.1 -81.0 -15.3 -19.8 -5.8 -15.2 111 135 A I E << +c 172 0A 6 -3,-0.8 27,-0.4 -4,-0.5 62,-0.2 -0.766 48.1 163.9 -93.1 100.6 -18.1 -9.2 -15.5 112 136 A G E + 0 0 8 60,-1.6 30,-1.9 -2,-1.0 2,-0.3 0.506 56.3 43.2 -95.5 -7.1 -15.2 -8.7 -17.9 113 137 A L E -cd 173 142A 4 59,-1.0 61,-2.9 28,-0.2 2,-0.4 -1.000 52.0-171.7-142.2 143.6 -13.0 -11.7 -17.3 114 138 A L E -cd 174 143A 1 28,-2.1 30,-2.0 -2,-0.3 2,-0.5 -0.998 9.2-167.4-132.9 126.2 -13.6 -15.4 -16.8 115 139 A V E -cd 175 144A 0 59,-3.0 61,-2.8 -2,-0.4 2,-0.5 -0.972 2.6-171.1-118.8 128.9 -10.7 -17.7 -15.8 116 140 A L E -cd 176 145A 9 28,-2.5 30,-3.5 -2,-0.5 2,-0.4 -0.979 2.5-172.0-124.1 123.8 -11.1 -21.5 -16.0 117 141 A A E +cd 177 146A 0 59,-2.2 61,-1.9 -2,-0.5 2,-0.3 -0.927 16.3 145.7-118.0 139.2 -8.5 -23.8 -14.5 118 142 A T E - d 0 147A 3 28,-2.1 30,-1.1 -2,-0.4 31,-0.3 -0.976 31.1-174.9-163.0 156.9 -8.3 -27.6 -14.8 119 143 A S S S+ 0 0 2 -2,-0.3 60,-0.1 59,-0.3 28,-0.1 0.167 91.5 57.9-137.5 5.5 -5.8 -30.4 -15.1 120 144 A T S S+ 0 0 3 58,-0.4 129,-0.1 129,-0.1 59,-0.1 0.239 102.8 51.5-120.9 11.0 -8.4 -33.1 -15.7 121 145 A G + 0 0 0 57,-0.1 -36,-0.1 -36,-0.1 128,-0.1 0.434 42.8 165.9-114.6-116.6 -10.1 -31.7 -18.9 122 146 A F + 0 0 7 1,-0.2 483,-0.3 386,-0.1 2,-0.3 0.933 21.1 150.7 89.2 84.6 -9.1 -30.4 -22.3 123 147 A I - 0 0 21 1,-0.3 481,-0.2 481,-0.1 -1,-0.2 -0.994 49.7-108.1-146.1 139.6 -11.9 -30.0 -25.0 124 148 A A S S+ 0 0 7 479,-3.2 2,-0.4 -2,-0.3 -1,-0.3 0.814 109.3 11.3 -31.1-112.8 -12.3 -27.6 -28.0 125 149 A P S S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.679 103.2 174.3 -72.3 134.8 -14.9 -25.2 -27.0 126 150 A G > - 0 0 3 -2,-0.4 4,-1.9 590,-0.0 3,-0.4 -0.190 43.8 -51.4-119.9-149.8 -15.2 -26.1 -23.3 127 151 A V H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.814 123.8 63.2 -58.8 -31.8 -16.6 -25.4 -19.9 128 152 A D H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 106.8 41.0 -61.3 -46.6 -15.6 -21.8 -20.3 129 153 A V H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.859 112.1 55.0 -70.9 -36.4 -17.9 -21.2 -23.3 130 154 A A H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.919 107.3 52.2 -61.9 -41.2 -20.7 -23.2 -21.7 131 155 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.922 107.9 50.4 -60.0 -47.7 -20.5 -20.9 -18.7 132 156 A V H <>S+ 0 0 4 -4,-1.7 5,-2.9 2,-0.2 4,-0.5 0.952 117.7 38.2 -57.7 -52.2 -20.7 -17.7 -20.7 133 157 A K H ><5S+ 0 0 70 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.986 115.2 53.1 -64.0 -56.3 -23.8 -18.8 -22.6 134 158 A E H 3<5S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 116.6 37.4 -46.2 -46.4 -25.4 -20.5 -19.7 135 159 A L T 3<5S- 0 0 34 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.406 110.6-119.4 -89.5 1.5 -25.2 -17.5 -17.4 136 160 A G T < 5 + 0 0 49 -3,-2.1 -3,-0.2 -4,-0.5 -4,-0.1 0.938 54.3 164.0 60.9 46.2 -25.9 -15.1 -20.2 137 161 A L < - 0 0 16 -5,-2.9 -28,-0.1 -6,-0.2 -29,-0.1 -0.158 46.8 -65.4 -81.5-174.9 -22.6 -13.3 -19.8 138 162 A S > - 0 0 30 -30,-0.5 3,-1.9 -27,-0.4 -1,-0.1 -0.571 27.6-138.9 -82.9 138.7 -21.2 -11.0 -22.5 139 163 A P T 3 S+ 0 0 57 0, 0.0 454,-2.5 0, 0.0 -1,-0.1 0.707 109.9 51.2 -61.5 -19.6 -20.2 -12.3 -25.9 140 164 A S T 3 S+ 0 0 57 452,-0.2 451,-0.3 2,-0.1 452,-0.1 0.421 80.8 126.5 -99.8 -0.8 -17.3 -9.9 -25.5 141 165 A I < - 0 0 5 -3,-1.9 2,-0.3 1,-0.1 -28,-0.2 -0.187 63.5-112.7 -55.7 151.5 -16.2 -11.1 -22.1 142 166 A S E -d 113 0A 45 -30,-1.9 -28,-2.1 449,-0.1 2,-0.4 -0.681 32.5-164.0 -90.8 143.0 -12.5 -12.1 -21.8 143 167 A R E -d 114 0A 10 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.985 14.4-179.3-135.3 140.0 -11.5 -15.7 -21.2 144 168 A V E -d 115 0A 8 -30,-2.0 -28,-2.5 -2,-0.4 2,-0.5 -1.000 12.5-156.8-134.1 129.4 -8.3 -17.4 -20.1 145 169 A V E -d 116 0A 18 -2,-0.4 363,-0.9 -30,-0.2 2,-0.6 -0.944 6.5-162.3-111.3 124.5 -8.0 -21.2 -19.7 146 170 A V E -dE 117 507A 0 -30,-3.5 -28,-2.1 -2,-0.5 2,-0.3 -0.922 15.3-178.5-109.3 117.7 -5.4 -22.4 -17.4 147 171 A N E +d 118 0A 6 359,-1.4 -28,-0.2 -2,-0.6 359,-0.2 -0.787 52.7 5.6-117.8 160.5 -4.4 -26.0 -17.8 148 172 A F S S+ 0 0 9 -30,-1.1 -29,-0.2 -2,-0.3 -1,-0.2 0.708 77.3 126.1 45.1 33.5 -2.0 -28.5 -16.2 149 173 A M > - 0 0 9 -31,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.356 60.2-147.6 -97.0 6.9 -1.0 -26.2 -13.4 150 174 A G G > - 0 0 3 1,-0.2 3,-2.9 204,-0.2 4,-0.2 0.025 49.6 -16.8 63.9-167.1 -1.9 -28.8 -10.8 151 175 A C G 3 S+ 0 0 22 202,-0.4 3,-0.3 1,-0.3 177,-0.3 0.663 134.4 54.2 -45.9 -22.7 -3.2 -28.5 -7.3 152 176 A A G X> S+ 0 0 0 -3,-0.7 3,-1.5 201,-0.3 4,-1.2 0.388 71.0 108.0 -98.3 5.0 -2.2 -24.8 -7.1 153 177 A A H <> + 0 0 0 -3,-2.9 4,-3.1 1,-0.3 5,-0.2 0.815 68.9 68.2 -49.1 -38.1 -4.0 -23.6 -10.3 154 178 A A H 3> S+ 0 0 1 -3,-0.3 4,-3.1 -4,-0.2 -1,-0.3 0.898 102.1 47.3 -50.6 -43.1 -6.5 -21.7 -8.2 155 179 A M H <> S+ 0 0 22 -3,-1.5 4,-2.3 2,-0.2 5,-0.2 0.965 111.4 46.8 -64.3 -54.8 -3.7 -19.4 -7.2 156 180 A N H X S+ 0 0 12 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.881 117.3 48.4 -54.8 -35.7 -2.3 -18.8 -10.6 157 181 A A H X S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.924 108.5 49.8 -71.1 -47.3 -6.0 -18.2 -11.6 158 182 A L H X S+ 0 0 6 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.811 109.8 54.0 -62.9 -28.3 -6.9 -15.9 -8.8 159 183 A G H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.890 103.7 53.7 -72.1 -40.5 -3.8 -13.9 -9.7 160 184 A T H X S+ 0 0 7 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.908 112.0 46.6 -57.7 -42.3 -4.8 -13.5 -13.3 161 185 A A H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.951 108.5 56.6 -63.3 -51.3 -8.1 -12.1 -12.0 162 186 A T H X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.916 107.5 45.2 -44.9 -61.4 -6.3 -9.8 -9.6 163 187 A N H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 114.3 51.3 -53.0 -47.4 -4.2 -8.0 -12.2 164 188 A Y H X S+ 0 0 18 -4,-1.8 4,-1.6 -5,-0.3 3,-0.3 0.962 112.3 44.6 -54.5 -56.2 -7.3 -7.7 -14.4 165 189 A V H < S+ 0 0 0 -4,-3.2 6,-0.2 1,-0.2 46,-0.2 0.887 113.7 48.4 -59.4 -42.2 -9.4 -6.2 -11.7 166 190 A R H < S+ 0 0 36 -4,-2.9 -1,-0.2 -5,-0.2 -156,-0.2 0.803 112.9 50.1 -71.7 -23.3 -6.8 -3.8 -10.4 167 191 A A H < S+ 0 0 16 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.747 123.8 29.5 -82.8 -24.6 -6.2 -2.7 -14.0 168 192 A H S >< S- 0 0 60 -4,-1.6 3,-3.2 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-0.694 12.2-140.5 -82.9 125.0 8.2 -27.9 -49.5 389 49 B Q H > S+ 0 0 6 27,-2.4 4,-3.4 -2,-0.5 5,-0.2 0.888 100.4 60.4 -52.2 -42.9 4.5 -28.4 -50.0 390 50 B S H > S+ 0 0 78 26,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.920 112.8 37.2 -51.7 -48.8 5.1 -29.8 -53.5 391 51 B D H > S+ 0 0 98 -3,-0.4 4,-2.9 2,-0.2 5,-0.4 0.972 113.7 55.4 -68.1 -54.2 7.2 -32.6 -52.1 392 52 B A H X S+ 0 0 7 -4,-2.8 4,-3.2 1,-0.3 5,-0.3 0.894 106.0 54.2 -42.0 -51.1 5.0 -33.1 -49.0 393 53 B A H X S+ 0 0 8 -4,-3.4 4,-3.3 -5,-0.2 -1,-0.3 0.939 112.6 42.5 -50.4 -54.3 2.0 -33.6 -51.3 394 54 B D H X S+ 0 0 98 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.963 115.5 46.9 -60.6 -54.5 3.8 -36.3 -53.2 395 55 B R H < S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.9 44.8 -56.2 -37.7 5.3 -38.1 -50.2 396 56 B V H >< S+ 0 0 9 -4,-3.2 3,-1.3 -5,-0.4 -1,-0.2 0.933 105.1 60.1 -72.4 -47.0 1.9 -37.9 -48.5 397 57 B A H 3< S+ 0 0 16 -4,-3.3 2,-1.0 -5,-0.3 -2,-0.2 0.893 89.2 73.9 -47.1 -46.0 -0.1 -39.0 -51.5 398 58 B E T 3< 0 0 158 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.253 360.0 360.0 -57.5 17.5 1.8 -42.3 -51.6 399 59 B L < 0 0 107 -3,-1.3 -3,-0.0 -2,-1.0 149,-0.0 -0.685 360.0 360.0-110.9 360.0 -0.2 -43.5 -48.5 400 ! 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 0.0 401 64 B G 0 0 135 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -34.2 -7.4 -45.5 -54.1 402 65 B Q > + 0 0 66 1,-0.1 3,-1.2 2,-0.1 4,-0.2 -0.525 360.0 143.5-117.4 59.4 -8.3 -41.9 -54.5 403 66 B R T 3 + 0 0 33 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.298 52.3 92.7 -78.4 7.8 -5.0 -40.3 -53.5 404 67 B E T 3> S+ 0 0 159 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.734 75.0 65.0 -72.4 -22.4 -5.9 -37.8 -56.3 405 68 B R H <> S+ 0 0 124 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.891 90.2 63.1 -67.1 -42.1 -7.4 -35.7 -53.5 406 69 B I H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 102.0 47.3 -53.9 -48.8 -4.2 -35.1 -51.7 407 70 B P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.913 111.9 54.9 -62.6 -35.1 -2.5 -33.1 -54.5 408 71 B R H X S+ 0 0 156 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.942 109.4 43.3 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