==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-FEB-13 4JAP . COMPND 2 MOLECULE: ALPHA-PYRONE SYNTHESIS POLYKETIDE SYNTHASE-LIKE P . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.GOKULAN,J.C.SACCHETTINI,MYCOBACTERIUM TUBERCULOSIS STRUCTU . 1410 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 15.0 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 . 82 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 1 1 0 4 10 9 4 1 1 3 0 0 1 2 1 0 0 0 0 0 0 3 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 8 4 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 . 5 1 2 2 0 4 3 9 4 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 . 8 0 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 2 D S 0 0 15 0, 0.0 211,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 177.1 14.7 -10.8 50.8 2 3 D V E -AB 197 211A 0 195,-1.9 195,-2.4 209,-0.3 209,-0.3 -0.993 360.0-111.8-157.7 130.0 11.4 -12.7 51.1 3 4 D I E -A 196 0A 0 207,-3.0 193,-0.3 -2,-0.3 3,-0.1 -0.401 25.6-179.5 -69.6 141.3 9.5 -14.6 53.8 4 5 D A E + 0 0 8 191,-3.3 204,-0.5 1,-0.4 2,-0.3 0.597 64.6 8.4-116.1 -21.0 9.1 -18.3 53.3 5 6 D G E -A 195 0A 3 190,-1.7 190,-2.6 85,-0.1 -1,-0.4 -0.964 49.0-169.4-162.0 146.1 7.1 -19.4 56.4 6 7 D V E +A 194 0A 7 -2,-0.3 2,-0.4 188,-0.2 188,-0.2 -0.974 18.5 171.7-138.1 123.2 5.1 -18.0 59.3 7 8 D F E -A 193 0A 61 186,-2.2 186,-2.6 -2,-0.4 2,-0.3 -0.985 16.6-155.4-142.3 128.3 4.0 -20.2 62.2 8 9 D G E -A 192 0A 10 -2,-0.4 2,-0.4 184,-0.2 184,-0.3 -0.726 7.4-166.8-100.0 151.7 2.4 -19.5 65.6 9 10 D A E -A 191 0A 2 182,-3.2 182,-3.4 -2,-0.3 73,-0.1 -0.999 7.7-179.4-136.8 138.3 2.5 -21.7 68.6 10 11 D L - 0 0 43 -2,-0.4 180,-0.2 180,-0.3 41,-0.1 -0.937 35.5 -93.9-134.7 157.0 0.4 -21.5 71.8 11 12 D P - 0 0 4 0, 0.0 41,-0.1 0, 0.0 40,-0.1 -0.425 30.7-130.5 -64.7 145.9 0.0 -23.3 75.1 12 13 D P S S+ 0 0 124 0, 0.0 2,-1.0 0, 0.0 40,-0.1 0.702 89.0 91.4 -72.1 -25.1 -2.7 -26.0 75.0 13 14 D H + 0 0 77 38,-0.4 38,-2.1 39,-0.0 2,-0.4 -0.676 60.2 172.3 -68.4 105.5 -4.2 -24.6 78.3 14 15 D R E -R 50 0B 90 -2,-1.0 2,-0.3 36,-0.3 36,-0.2 -0.970 7.4-178.2-118.1 136.3 -6.7 -22.1 76.8 15 16 D Y E -R 49 0B 27 34,-2.3 34,-2.1 -2,-0.4 2,-0.1 -0.976 28.3-114.9-133.6 145.4 -9.2 -20.3 79.0 16 17 D S E > -R 48 0B 37 -2,-0.3 4,-2.1 32,-0.2 32,-0.3 -0.419 35.8-111.8 -69.7 155.1 -12.1 -17.8 78.4 17 18 D Q H > S+ 0 0 14 30,-3.4 4,-2.9 1,-0.2 31,-0.1 0.848 119.7 53.4 -57.0 -34.2 -11.5 -14.3 79.8 18 19 D S H > S+ 0 0 74 29,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.851 104.2 53.9 -71.8 -38.2 -14.4 -15.0 82.3 19 20 D E H > S+ 0 0 97 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.953 113.9 44.5 -54.3 -53.5 -12.7 -18.2 83.5 20 21 D I H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.957 113.5 47.6 -55.2 -58.3 -9.6 -16.2 84.2 21 22 D T H X S+ 0 0 10 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.915 111.1 51.2 -56.4 -48.9 -11.3 -13.2 85.8 22 23 D D H < S+ 0 0 75 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.913 115.0 41.8 -54.2 -50.0 -13.4 -15.3 88.1 23 24 D S H >< S+ 0 0 50 -4,-1.9 3,-1.4 -5,-0.2 4,-0.2 0.935 110.5 59.9 -59.7 -45.6 -10.5 -17.3 89.4 24 25 D F H >< S+ 0 0 8 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.759 95.8 56.9 -60.4 -36.4 -8.2 -14.2 89.7 25 26 D V T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 8,-0.2 0.704 103.8 56.2 -72.8 -18.0 -10.3 -12.2 92.2 26 27 D E T < S+ 0 0 121 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.419 84.4 112.1 -94.1 0.2 -10.1 -15.1 94.7 27 28 D F S X S- 0 0 20 -3,-1.2 3,-1.5 3,-0.2 2,-0.2 -0.234 88.6 -61.8 -65.4 163.9 -6.3 -15.1 94.6 28 29 D P T 3 S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.279 117.5 -9.0 -55.4 112.7 -4.3 -14.0 97.7 29 30 D G T 3 S+ 0 0 44 -2,-0.2 3,-0.3 -3,-0.1 -3,-0.1 0.384 107.0 97.6 83.5 -0.3 -5.1 -10.4 98.5 30 31 D L < + 0 0 7 -3,-1.5 -3,-0.2 -6,-0.2 3,-0.1 -0.277 51.9 94.3-110.8 43.9 -7.1 -9.4 95.5 31 32 D K S > S+ 0 0 88 -5,-0.1 3,-1.0 1,-0.1 -1,-0.2 0.714 82.1 56.3 -94.9 -30.7 -10.5 -9.9 97.0 32 33 D E T 3 S+ 0 0 145 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.099 106.5 50.5 -88.4 22.0 -10.6 -6.2 97.9 33 34 D H T 3> + 0 0 48 -8,-0.2 4,-2.5 -3,-0.1 5,-0.2 0.060 69.7 120.5-138.8 21.2 -10.0 -5.1 94.3 34 35 D E H <> S+ 0 0 57 -3,-1.0 4,-2.3 2,-0.2 5,-0.2 0.866 75.9 50.4 -52.6 -41.3 -12.8 -7.3 92.7 35 36 D E H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.978 112.3 41.6 -67.9 -58.5 -14.5 -4.2 91.3 36 37 D I H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 117.4 50.2 -54.5 -43.6 -11.5 -2.5 89.6 37 38 D I H X S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.945 109.4 48.9 -62.1 -51.2 -10.2 -5.9 88.2 38 39 D R H X S+ 0 0 80 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.864 112.8 49.3 -58.1 -36.8 -13.6 -6.9 86.8 39 40 D R H X S+ 0 0 155 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.917 114.6 44.9 -65.9 -44.2 -13.9 -3.5 85.1 40 41 D L H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.911 113.4 48.6 -66.8 -46.2 -10.4 -3.8 83.7 41 42 D H H >< S+ 0 0 2 -4,-3.4 3,-0.6 1,-0.2 5,-0.4 0.834 112.6 47.9 -65.6 -34.8 -10.7 -7.4 82.5 42 43 D A H >< S+ 0 0 82 -4,-1.6 3,-0.8 -5,-0.3 -1,-0.2 0.850 110.0 52.2 -75.2 -34.3 -14.1 -6.8 80.7 43 44 D A T 3< S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.341 87.0 83.8 -86.7 7.9 -12.8 -3.7 79.0 44 45 D A T < S- 0 0 4 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.625 87.6-138.3 -82.9 -12.4 -9.7 -5.4 77.5 45 46 D K < + 0 0 110 -3,-0.8 2,-0.5 1,-0.3 263,-0.1 0.819 61.4 130.6 52.7 31.9 -11.7 -6.8 74.5 46 47 D V - 0 0 4 -5,-0.4 -1,-0.3 139,-0.2 259,-0.2 -0.972 37.0-175.4-107.2 128.7 -9.9 -10.1 75.0 47 48 D N - 0 0 111 258,-2.7 -30,-3.4 -2,-0.5 -29,-0.4 0.663 66.6 -5.3 -99.9 -20.7 -12.3 -13.0 75.1 48 49 D G E -R 16 0B 0 257,-1.3 -1,-0.3 -32,-0.3 2,-0.3 -0.979 57.3-163.1-165.3 162.5 -9.7 -15.7 75.9 49 50 D R E -R 15 0B 8 -34,-2.1 -34,-2.3 -2,-0.3 2,-0.5 -0.986 25.1-116.7-147.8 152.8 -6.0 -16.4 76.3 50 51 D H E -R 14 0B 27 257,-0.6 139,-1.9 139,-0.4 2,-0.4 -0.824 28.0-158.1 -91.3 127.1 -3.6 -19.3 76.4 51 52 D L - 0 0 10 -38,-2.1 -38,-0.4 -2,-0.5 4,-0.1 -0.880 15.1-148.3-105.8 138.0 -1.8 -19.9 79.7 52 53 D V S S+ 0 0 12 -2,-0.4 -1,-0.1 -40,-0.1 -38,-0.1 0.709 85.7 46.1 -78.8 -16.3 1.5 -21.8 79.9 53 54 D L S S- 0 0 4 -40,-0.1 2,-0.1 -42,-0.1 -2,-0.1 -0.841 102.5 -86.6-120.1 155.2 0.5 -23.0 83.4 54 55 D P >> - 0 0 42 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.404 42.4-120.8 -53.9 136.4 -2.7 -24.5 85.0 55 56 D L T 34 S+ 0 0 14 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.760 111.0 54.0 -57.3 -28.7 -4.9 -21.6 86.1 56 57 D Q T 34 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.642 96.7 66.2 -80.4 -18.1 -4.8 -22.8 89.8 57 58 D Q T X4 S+ 0 0 75 -3,-1.7 3,-2.1 1,-0.2 4,-0.4 0.815 80.8 79.7 -73.7 -30.9 -1.0 -23.0 89.9 58 59 D Y G >< S+ 0 0 10 -4,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.763 80.7 63.5 -50.9 -37.9 -0.5 -19.1 89.6 59 60 D P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.759 105.0 50.0 -57.1 -23.7 -1.3 -18.3 93.3 60 61 D S G < S+ 0 0 75 -3,-2.1 2,-1.8 -4,-0.2 3,-0.4 0.544 85.3 92.2 -90.7 -9.4 1.8 -20.4 94.1 61 62 D L < + 0 0 4 -3,-1.4 -1,-0.1 -4,-0.4 -3,-0.1 -0.488 44.8 125.8 -86.5 70.4 4.0 -18.5 91.6 62 63 D T + 0 0 92 -2,-1.8 2,-0.5 111,-0.1 -1,-0.2 0.610 49.5 80.8-103.5 -16.6 5.3 -15.9 94.1 63 64 D D > - 0 0 63 -3,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.841 63.7-152.1-102.8 125.3 9.0 -16.4 93.6 64 65 D F H > S+ 0 0 9 -2,-0.5 4,-2.6 169,-0.4 5,-0.2 0.830 99.1 56.6 -58.6 -35.2 10.9 -14.9 90.7 65 66 D G H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 109.0 45.4 -63.4 -47.0 13.4 -17.7 90.7 66 67 D D H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.980 114.6 47.3 -56.9 -60.4 10.7 -20.3 90.3 67 68 D A H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.865 111.2 50.4 -52.0 -45.6 8.9 -18.4 87.5 68 69 D N H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.876 109.4 51.5 -64.7 -35.6 12.1 -17.7 85.6 69 70 D E H X S+ 0 0 89 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.946 111.9 45.6 -63.6 -48.8 13.1 -21.4 85.7 70 71 D I H X S+ 0 0 30 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.907 109.1 58.5 -60.6 -42.6 9.7 -22.5 84.4 71 72 D F H X S+ 0 0 1 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.950 104.1 51.1 -46.2 -55.0 10.0 -19.7 81.8 72 73 D I H X S+ 0 0 19 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.923 114.2 40.9 -57.8 -49.9 13.3 -21.3 80.5 73 74 D E H X S+ 0 0 100 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.943 119.5 43.4 -62.1 -51.1 11.9 -24.8 80.0 74 75 D K H X S+ 0 0 57 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.805 111.9 55.7 -65.6 -31.9 8.4 -23.8 78.6 75 76 D A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.4 -1,-0.2 0.844 105.9 48.6 -73.7 -36.3 10.0 -21.2 76.3 76 77 D V H X S+ 0 0 10 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.908 112.3 51.3 -69.7 -37.4 12.4 -23.6 74.6 77 78 D D H X S+ 0 0 66 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.965 114.7 40.0 -58.7 -57.6 9.4 -26.0 74.1 78 79 D L H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.909 115.0 53.0 -58.9 -45.6 7.1 -23.4 72.5 79 80 D G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 109.2 48.9 -58.3 -44.3 9.9 -21.8 70.5 80 81 D V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.891 109.4 53.5 -62.2 -41.3 11.0 -25.2 69.0 81 82 D E H X S+ 0 0 94 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.9 45.8 -60.3 -44.4 7.3 -25.9 68.1 82 83 D A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 111,-0.2 0.949 113.0 47.8 -67.5 -49.9 7.0 -22.5 66.2 83 84 D L H >X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 3,-0.7 0.949 112.4 50.2 -54.2 -52.1 10.3 -22.9 64.3 84 85 D L H 3X S+ 0 0 80 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.934 111.9 48.8 -49.3 -51.2 9.4 -26.5 63.3 85 86 D G H 3X S+ 0 0 8 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.697 114.8 43.6 -64.3 -24.3 6.0 -25.2 62.1 86 87 D A H S+ 0 0 3 -4,-3.2 5,-3.3 -5,-0.2 4,-0.4 0.903 109.4 48.6 -62.1 -46.2 10.3 -24.7 58.7 88 89 D D H ><5S+ 0 0 109 -4,-2.7 3,-0.7 -5,-0.2 -1,-0.2 0.871 109.1 53.5 -58.7 -41.0 7.5 -27.0 57.5 89 90 D D H 3<5S+ 0 0 79 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.902 114.0 41.3 -64.2 -41.7 5.8 -24.0 56.0 90 91 D A T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.553 108.9-127.2 -74.5 -8.7 8.9 -23.1 54.1 91 92 D N T < 5 + 0 0 148 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.964 68.9 130.6 44.6 55.1 9.5 -26.8 53.3 92 93 D L < - 0 0 17 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.865 51.5-128.9-127.3 165.6 13.0 -26.2 54.8 93 94 D R > - 0 0 158 -2,-0.3 3,-3.0 -3,-0.1 4,-0.5 -0.836 26.9-108.4-117.3 154.5 15.1 -28.1 57.5 94 95 D P G > S+ 0 0 29 0, 0.0 3,-1.4 0, 0.0 30,-0.5 0.833 118.4 61.6 -42.6 -41.8 17.0 -27.0 60.7 95 96 D S G 3 S+ 0 0 61 1,-0.2 28,-0.1 28,-0.2 27,-0.0 0.629 94.4 63.2 -64.7 -13.9 20.2 -27.6 58.8 96 97 D D G < S+ 0 0 28 -3,-3.0 62,-0.4 61,-0.0 2,-0.4 0.714 78.8 105.9 -83.2 -17.9 19.3 -24.9 56.3 97 98 D I < + 0 0 0 -3,-1.4 27,-0.4 -4,-0.5 62,-0.2 -0.466 37.3 172.2 -72.8 121.1 19.3 -22.2 58.9 98 99 D D S S+ 0 0 18 60,-2.9 30,-2.1 -2,-0.4 2,-0.3 0.581 71.4 21.4 -98.4 -15.2 22.3 -19.8 58.8 99 100 D M E -cd 128 159A 2 59,-1.1 61,-3.0 28,-0.2 2,-0.4 -0.905 60.8-167.7-160.6 121.7 21.1 -17.2 61.4 100 101 D I E -cd 129 160A 0 28,-2.7 30,-2.1 -2,-0.3 2,-0.4 -0.961 5.5-170.3-115.0 129.9 18.6 -17.5 64.3 101 102 D A E -cd 130 161A 0 59,-2.1 61,-2.9 -2,-0.4 2,-0.4 -0.962 7.3-160.2-118.1 139.1 17.3 -14.4 66.1 102 103 D T E -cd 131 162A 6 28,-1.5 30,-3.4 -2,-0.4 2,-0.5 -0.938 3.6-164.3-122.6 140.3 15.3 -14.7 69.2 103 104 D A E +cd 132 163A 0 59,-2.6 61,-1.9 -2,-0.4 2,-0.3 -0.977 24.4 136.2-129.6 124.9 13.0 -12.2 70.9 104 105 D T E +c 133 0A 13 28,-1.4 30,-0.9 -2,-0.5 31,-0.3 -0.967 22.6 176.2-150.1 162.2 11.6 -12.2 74.4 105 106 D V S S+ 0 0 7 -2,-0.3 60,-0.1 59,-0.3 28,-0.1 0.271 73.6 76.4-142.7 1.5 11.1 -9.8 77.1 106 107 D T S S+ 0 0 7 58,-0.4 2,-0.3 1,-0.1 130,-0.1 0.299 99.0 25.9-102.6 8.0 9.3 -12.0 79.7 107 108 D G - 0 0 1 -36,-0.1 2,-0.6 2,-0.1 -1,-0.1 -0.982 67.1-128.8-165.8 155.9 12.3 -14.0 81.0 108 109 D V + 0 0 1 -2,-0.3 2,-0.5 4,-0.0 477,-0.3 -0.937 30.7 171.5-121.2 114.3 16.0 -13.9 81.4 109 110 D A - 0 0 10 -2,-0.6 4,-0.2 378,-0.1 475,-0.1 -0.981 18.4-153.0-128.9 122.9 18.1 -16.8 80.1 110 111 D V S S+ 0 0 2 -2,-0.5 473,-1.8 473,-0.4 2,-0.2 -0.947 95.8 39.9-132.6 114.8 21.9 -17.1 79.8 111 112 D P S S- 0 0 0 0, 0.0 378,-0.1 0, 0.0 584,-0.1 0.543 115.0-120.0 -66.0 165.7 22.6 -18.9 77.6 112 113 D S > - 0 0 6 376,-0.7 4,-1.5 582,-0.2 3,-0.3 -0.151 18.1-101.8 -78.3 170.4 19.9 -17.5 75.5 113 114 D L H > S+ 0 0 4 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.875 120.9 60.7 -58.2 -42.6 16.9 -19.3 73.9 114 115 D D H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 103.9 51.8 -55.2 -39.4 18.6 -19.4 70.5 115 116 D A H > S+ 0 0 3 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.937 115.2 40.5 -56.2 -48.2 21.3 -21.4 72.2 116 117 D R H X S+ 0 0 36 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.880 115.3 50.4 -75.2 -38.2 18.8 -23.9 73.6 117 118 D I H X S+ 0 0 0 -4,-3.6 4,-2.2 2,-0.2 -1,-0.2 0.915 108.1 52.5 -64.3 -46.5 16.6 -23.9 70.4 118 119 D A H X>S+ 0 0 2 -4,-2.5 5,-2.2 -5,-0.3 4,-0.7 0.869 111.3 49.4 -57.8 -37.8 19.6 -24.7 68.2 119 120 D G H ><5S+ 0 0 54 -4,-1.4 3,-1.0 -5,-0.2 -2,-0.2 0.968 111.0 46.0 -64.8 -56.8 20.5 -27.6 70.5 120 121 D R H 3<5S+ 0 0 141 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.817 121.1 39.2 -55.6 -35.5 17.0 -29.1 70.6 121 122 D L H 3<5S- 0 0 25 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.435 106.5-120.4 -99.4 -0.4 16.6 -28.8 66.8 122 123 D G T <<5 + 0 0 51 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.1 0.949 43.4 176.8 56.8 52.6 20.1 -29.7 65.7 123 124 D L < - 0 0 12 -5,-2.2 -28,-0.2 1,-0.2 -1,-0.1 -0.473 46.9 -76.5 -73.5 157.8 20.9 -26.5 63.8 124 125 D R > - 0 0 78 -30,-0.5 3,-1.9 -27,-0.4 -1,-0.2 -0.283 36.1-125.2 -53.8 141.4 24.4 -26.3 62.5 125 126 D P T 3 S+ 0 0 67 0, 0.0 448,-1.7 0, 0.0 -1,-0.1 0.710 112.6 58.0 -60.5 -22.4 27.1 -25.5 65.2 126 127 D D T 3 S+ 0 0 26 446,-0.2 445,-0.4 2,-0.1 2,-0.2 0.160 75.7 135.1 -95.0 17.0 28.1 -22.6 63.0 127 128 D V < - 0 0 2 -3,-1.9 2,-0.3 443,-0.1 -28,-0.2 -0.486 59.9-119.4 -66.6 132.8 24.6 -21.0 63.1 128 129 D R E -c 99 0A 25 -30,-2.1 -28,-2.7 -2,-0.2 2,-0.4 -0.565 29.7-149.8 -71.7 133.0 24.8 -17.2 63.7 129 130 D R E +c 100 0A 13 -2,-0.3 -28,-0.2 -30,-0.2 371,-0.1 -0.907 23.5 173.6-117.3 137.0 23.0 -16.2 66.8 130 131 D M E -c 101 0A 6 -30,-2.1 -28,-1.5 -2,-0.4 2,-0.5 -0.689 9.8-172.9-139.7 78.1 21.2 -12.9 67.6 131 132 D P E -c 102 0A 4 0, 0.0 356,-1.0 0, 0.0 2,-0.6 -0.672 10.7-159.8 -74.4 121.0 19.4 -13.0 70.9 132 133 D L E +cE 103 486A 5 -30,-3.4 -28,-1.4 -2,-0.5 2,-0.5 -0.920 13.1 177.3-108.9 117.0 17.4 -9.8 71.2 133 134 D F E +c 104 0A 14 352,-2.0 -28,-0.2 -2,-0.6 330,-0.1 -0.970 58.5 22.9-123.1 127.1 16.2 -8.7 74.7 134 135 D G S S+ 0 0 0 -30,-0.9 332,-0.8 -2,-0.5 -1,-0.1 0.549 78.6 108.8 103.4 11.4 14.4 -5.6 75.7 135 136 D L > - 0 0 4 -31,-0.3 3,-1.5 1,-0.2 -30,-0.1 0.688 56.1-178.4 -84.1 -17.8 12.7 -4.7 72.5 136 137 D G G > - 0 0 4 -32,-0.3 3,-1.6 1,-0.2 -1,-0.2 -0.299 61.5 -2.1 57.2-134.8 9.4 -5.7 74.1 137 138 D C G 3 S+ 0 0 12 1,-0.3 201,-0.4 2,-0.1 -1,-0.2 0.429 128.5 63.5 -71.5 -1.7 6.3 -5.4 71.8 138 139 D V G X> S+ 0 0 1 -3,-1.5 4,-3.1 199,-0.2 3,-0.7 0.615 79.2 85.5 -94.8 -11.7 8.2 -4.0 68.9 139 140 D A H <> S+ 0 0 3 -3,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.650 76.1 65.6 -72.3 -18.1 10.4 -7.1 68.4 140 141 D G H 3> S+ 0 0 0 -3,-0.2 4,-0.7 -4,-0.2 -1,-0.3 0.929 117.5 27.4 -66.3 -44.1 7.9 -8.9 66.2 141 142 D A H X> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.2 3,-0.6 0.911 121.3 52.6 -81.3 -46.7 8.4 -6.2 63.5 142 143 D A H 3X S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.3 -3,-0.2 0.778 105.6 58.6 -62.9 -25.5 11.9 -5.1 64.4 143 144 D G H 3X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.3 0.864 103.8 49.1 -69.0 -37.9 12.9 -8.8 64.2 144 145 D V H < S+ 0 0 5 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.938 114.1 48.2 -69.6 -44.9 21.2 -9.9 57.5 151 152 D L H 3< S+ 0 0 3 -4,-3.0 48,-0.4 1,-0.3 -2,-0.2 0.629 99.7 67.0 -74.8 -15.6 19.9 -11.3 54.2 152 153 D R H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.755 110.4 36.8 -72.5 -27.6 20.8 -8.2 52.3 153 154 D G S << S+ 0 0 5 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.469 127.2 40.5 -99.5 -6.4 24.4 -9.0 53.0 154 155 D A > + 0 0 6 -4,-0.5 3,-1.5 3,-0.1 44,-0.2 -0.607 64.2 167.8-142.3 76.7 23.8 -12.7 52.6 155 156 D P T 3 S+ 0 0 21 0, 0.0 46,-0.8 0, 0.0 45,-0.6 0.479 78.7 52.2 -76.0 -6.6 21.3 -13.3 49.7 156 157 D D T 3 S+ 0 0 80 44,-0.2 2,-0.1 43,-0.1 -5,-0.1 0.344 96.4 96.1-102.6 -0.3 21.9 -17.0 49.5 157 158 D D < - 0 0 33 -3,-1.5 41,-2.4 -6,-0.2 2,-0.5 -0.396 65.5-133.7 -98.1 168.2 21.2 -17.6 53.3 158 159 D V E - F 0 197A 0 -62,-0.4 -60,-2.9 39,-0.2 -59,-1.1 -0.985 24.5-176.2-119.8 122.7 18.2 -18.6 55.4 159 160 D A E -dF 99 196A 0 37,-2.6 37,-2.2 -2,-0.5 2,-0.3 -0.955 4.2-163.4-125.6 139.4 17.5 -16.6 58.6 160 161 D V E -dF 100 195A 0 -61,-3.0 -59,-2.1 -2,-0.4 2,-0.4 -0.827 10.1-154.7-122.4 158.1 14.8 -17.2 61.2 161 162 D L E -dF 101 194A 0 33,-2.1 33,-1.7 -2,-0.3 2,-0.5 -0.978 9.4-170.0-130.4 117.7 13.1 -15.2 64.0 162 163 D V E -dF 102 193A 0 -61,-2.9 -59,-2.6 -2,-0.4 2,-0.5 -0.941 2.7-169.7-111.4 123.8 11.6 -17.0 67.0 163 164 D S E +dF 103 192A 0 29,-3.2 29,-2.2 -2,-0.5 2,-0.5 -0.951 7.2 177.1-115.1 118.7 9.5 -14.9 69.3 164 165 D V E + F 0 191A 0 -61,-1.9 2,-0.5 -2,-0.5 -58,-0.4 -0.970 2.0 174.4-126.5 117.3 8.5 -16.4 72.6 165 166 D E E + F 0 190A 1 25,-2.1 25,-1.3 -2,-0.5 2,-0.7 -0.932 11.9 177.4-128.9 109.6 6.5 -14.5 75.2 166 167 D L E > + F 0 189A 0 -2,-0.5 3,-1.5 23,-0.2 23,-0.2 -0.605 13.3 166.6-107.7 69.6 5.3 -16.1 78.4 167 168 D C G > + 0 0 13 21,-0.8 3,-1.9 -2,-0.7 -1,-0.2 0.786 68.1 63.7 -55.6 -37.8 3.7 -13.0 80.0 168 169 D S G > S+ 0 0 19 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.787 90.3 70.6 -58.5 -26.6 1.7 -14.9 82.7 169 170 D L G < S+ 0 0 6 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.524 82.1 71.1 -72.8 -4.4 5.0 -16.1 84.1 170 171 D T G X + 0 0 25 -3,-1.9 3,-2.6 1,-0.2 4,-0.4 0.396 62.6 114.0 -91.5 3.2 5.8 -12.6 85.3 171 172 D Y G X + 0 0 34 -3,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.777 58.4 74.1 -42.7 -39.5 3.0 -13.0 88.0 172 173 D P G 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -108,-0.1 0.747 100.9 47.1 -42.9 -24.6 5.7 -12.9 90.9 173 174 D A G < S+ 0 0 1 -3,-2.6 -2,-0.2 63,-0.3 2,-0.1 0.635 86.7 104.0 -99.9 -16.9 5.8 -9.1 90.1 174 175 D V < + 0 0 36 -3,-1.5 63,-0.0 -4,-0.4 5,-0.0 -0.409 37.6 166.3 -79.4 145.5 2.1 -8.1 89.9 175 176 D K - 0 0 108 2,-0.1 2,-2.4 -2,-0.1 6,-0.2 -0.864 54.5 -75.2-139.9 172.0 0.3 -6.1 92.7 176 177 D P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.315 83.7 124.6 -74.5 61.5 -3.0 -4.2 92.8 177 178 D T S > S- 0 0 51 -2,-2.4 4,-2.6 1,-0.1 5,-0.2 -0.814 73.2-115.2-109.2 158.6 -1.9 -1.1 90.9 178 179 D V H > S+ 0 0 90 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.921 114.5 51.7 -58.2 -45.2 -3.7 0.1 87.8 179 180 D S H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 113.9 40.4 -55.0 -57.4 -0.6 -0.7 85.6 180 181 D S H > S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.903 115.2 52.2 -62.8 -44.8 -0.2 -4.3 86.7 181 182 D L H >X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 3,-0.6 0.919 106.0 54.2 -59.6 -44.1 -3.9 -5.0 86.8 182 183 D V H >X S+ 0 0 35 -4,-2.9 4,-1.1 1,-0.3 3,-0.9 0.922 107.2 52.3 -56.2 -41.8 -4.2 -3.6 83.2 183 184 D G H 3X S+ 0 0 12 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.779 105.1 54.2 -63.5 -29.3 -1.5 -6.1 82.2 184 185 D T H << S+ 0 0 24 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.627 108.5 50.8 -81.4 -11.7 -3.4 -9.0 83.8 185 186 D A H << S+ 0 0 2 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.713 122.4 29.7 -86.2 -25.4 -6.4 -8.0 81.7 186 187 D L H < S+ 0 0 17 -4,-1.1 123,-2.4 -5,-0.2 2,-0.2 0.883 93.3 87.8-104.0 -49.4 -4.4 -8.0 78.5 187 188 D F B < +s 309 0C 36 -4,-2.2 123,-0.2 121,-0.2 2,-0.2 -0.386 41.0 171.3 -85.1 132.3 -1.5 -10.3 78.3 188 189 D G - 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