==== 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 18-FEB-13 4JAO . 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 . 1408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1089 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 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 . 93 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.1 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 1 0 1 1 4 9 11 0 2 4 2 0 0 1 0 3 0 0 0 0 0 0 3 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 1 7 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 . 6 0 1 3 0 4 4 8 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 5 0, 0.0 211,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.9 14.8 -10.9 50.3 2 3 D V E -AB 197 211A 2 195,-3.2 195,-2.1 209,-0.2 2,-0.3 -0.980 360.0-125.9-135.7 127.6 11.7 -13.1 50.1 3 4 D I E +A 196 0A 0 207,-2.2 206,-0.7 -2,-0.4 193,-0.3 -0.514 26.3 175.4 -71.4 129.5 9.6 -14.7 52.9 4 5 D A E + 0 0 6 191,-4.7 204,-0.3 1,-0.3 2,-0.3 0.619 63.1 16.3-109.6 -20.3 9.3 -18.5 52.4 5 6 D G E -A 195 0A 0 190,-1.6 190,-3.1 85,-0.1 2,-0.4 -0.974 49.2-173.5-157.0 137.5 7.3 -19.5 55.5 6 7 D V E +A 194 0A 5 -2,-0.3 2,-0.4 188,-0.2 188,-0.2 -0.971 18.0 170.3-132.6 122.4 5.2 -17.9 58.3 7 8 D F E -A 193 0A 71 186,-2.4 186,-2.4 -2,-0.4 2,-0.5 -0.996 19.1-156.2-136.8 135.3 4.0 -20.1 61.2 8 9 D G E -A 192 0A 12 -2,-0.4 2,-0.5 184,-0.2 184,-0.2 -0.951 11.1-168.8-114.2 119.9 2.4 -19.2 64.5 9 10 D A E -A 191 0A 1 182,-1.4 182,-3.1 -2,-0.5 73,-0.1 -0.887 6.3-178.8-108.7 136.0 2.7 -21.6 67.4 10 11 D L - 0 0 40 -2,-0.5 180,-0.2 180,-0.2 41,-0.1 -0.938 35.9 -96.7-126.6 155.5 0.6 -21.2 70.6 11 12 D P - 0 0 2 0, 0.0 41,-0.1 0, 0.0 40,-0.1 -0.399 37.0-120.7 -65.7 149.1 0.5 -23.1 73.8 12 13 D P S S+ 0 0 120 0, 0.0 2,-0.9 0, 0.0 40,-0.1 0.807 90.8 89.1 -63.9 -35.7 -2.3 -25.8 73.8 13 14 D H + 0 0 72 38,-0.4 38,-2.3 39,-0.1 2,-0.4 -0.543 58.0 179.4 -65.5 102.8 -4.1 -24.3 76.8 14 15 D R E -R 50 0B 97 -2,-0.9 2,-0.4 36,-0.2 36,-0.2 -0.910 2.5-175.2-105.7 137.9 -6.6 -21.8 75.4 15 16 D Y E -R 49 0B 38 34,-2.3 34,-2.4 -2,-0.4 -2,-0.0 -0.975 26.6-115.3-130.0 142.0 -8.8 -19.8 77.8 16 17 D S E > -R 48 0B 34 -2,-0.4 4,-2.0 32,-0.2 32,-0.3 -0.238 31.7-114.3 -63.0 161.4 -11.6 -17.4 77.2 17 18 D Q H > S+ 0 0 13 30,-3.0 4,-2.9 2,-0.2 5,-0.2 0.893 121.0 52.7 -65.0 -34.7 -11.0 -13.8 78.4 18 19 D S H > S+ 0 0 73 29,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.877 106.9 51.5 -68.4 -38.5 -13.8 -14.4 80.9 19 20 D E H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 112.9 46.1 -57.3 -49.0 -12.2 -17.6 82.1 20 21 D I H X S+ 0 0 6 -4,-2.0 4,-3.1 2,-0.2 3,-0.3 0.961 114.4 45.7 -62.8 -54.8 -8.9 -15.7 82.7 21 22 D T H X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.940 110.4 53.5 -54.2 -52.1 -10.5 -12.7 84.4 22 23 D D H < S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 118.2 36.0 -57.8 -34.2 -12.7 -14.8 86.7 23 24 D S H >< S+ 0 0 25 -4,-1.5 3,-1.0 -3,-0.3 -1,-0.2 0.816 114.6 56.3 -86.2 -34.1 -9.7 -16.8 87.9 24 25 D F H >< S+ 0 0 6 -4,-3.1 3,-2.6 1,-0.2 -2,-0.2 0.928 99.3 58.3 -63.8 -46.5 -7.2 -13.8 87.9 25 26 D V T 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 9,-0.2 0.497 104.8 54.5 -65.8 -1.3 -9.3 -11.6 90.2 26 27 D E T < S+ 0 0 114 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.335 82.9 112.6-108.9 1.7 -9.0 -14.4 92.8 27 28 D F S X S- 0 0 8 -3,-2.6 3,-0.6 1,-0.2 4,-0.3 -0.430 87.2 -69.9 -70.3 150.7 -5.2 -14.6 92.7 28 29 D P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.129 115.5 3.6 -44.5 123.4 -3.4 -13.4 95.9 29 30 D G T 3 S+ 0 0 46 -3,-0.1 -3,-0.1 -4,-0.1 -2,-0.1 0.896 109.0 88.6 73.1 40.6 -3.7 -9.7 96.6 30 31 D L X + 0 0 7 -3,-0.6 3,-1.2 -5,-0.2 7,-0.2 0.420 54.4 84.6-145.0 -15.1 -6.0 -8.7 93.7 31 32 D K G > S+ 0 0 111 -4,-0.3 3,-0.8 1,-0.3 4,-0.2 0.733 86.4 65.9 -67.4 -21.9 -9.6 -9.1 94.8 32 33 D E G 3 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.736 110.2 36.5 -67.1 -22.1 -9.2 -5.6 96.3 33 34 D H G <> S+ 0 0 54 -3,-1.2 4,-2.3 1,-0.1 3,-0.3 0.202 77.5 121.5-115.4 12.9 -8.8 -4.4 92.6 34 35 D E H <> S+ 0 0 52 -3,-0.8 4,-2.0 1,-0.2 5,-0.2 0.749 72.4 58.8 -52.5 -27.5 -11.3 -6.8 91.0 35 36 D E H > S+ 0 0 166 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.983 110.6 36.4 -65.7 -59.8 -13.3 -3.8 89.7 36 37 D I H > S+ 0 0 38 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.845 115.6 57.3 -64.6 -33.8 -10.5 -2.2 87.6 37 38 D I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.947 109.2 43.7 -62.7 -49.5 -9.2 -5.6 86.6 38 39 D R H X S+ 0 0 80 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.865 114.0 52.5 -65.3 -33.2 -12.5 -6.6 85.1 39 40 D R H X S+ 0 0 156 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 112.3 44.0 -66.5 -43.3 -12.8 -3.2 83.5 40 41 D L H X S+ 0 0 14 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.889 114.9 49.6 -69.2 -39.1 -9.3 -3.5 81.9 41 42 D H H ><>S+ 0 0 2 -4,-2.7 3,-0.6 -5,-0.2 5,-0.5 0.916 113.1 44.7 -66.5 -44.7 -10.0 -7.1 80.8 42 43 D A H ><5S+ 0 0 81 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.890 112.3 52.1 -67.6 -38.9 -13.4 -6.3 79.2 43 44 D A H 3<5S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.618 91.7 81.5 -69.3 -13.2 -12.1 -3.2 77.4 44 45 D A T <<5S- 0 0 3 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.606 87.3-140.6 -74.4 -15.3 -9.2 -5.2 76.0 45 46 D K T < 5 + 0 0 102 -3,-1.0 2,-0.5 1,-0.2 263,-0.1 0.809 59.1 131.0 51.4 33.3 -11.2 -6.6 73.1 46 47 D V < - 0 0 5 -5,-0.5 259,-0.2 139,-0.2 -1,-0.2 -0.963 36.3-175.2-106.8 129.0 -9.4 -10.0 73.6 47 48 D N - 0 0 114 258,-3.7 -30,-3.0 -2,-0.5 -29,-0.4 0.650 68.1 -3.3 -98.9 -16.1 -11.8 -12.9 73.7 48 49 D G E -R 16 0B 0 257,-1.0 -1,-0.4 -32,-0.3 2,-0.3 -0.973 58.0-158.4-168.6 155.5 -9.3 -15.5 74.6 49 50 D R E -R 15 0B 7 -34,-2.4 -34,-2.3 -2,-0.3 2,-0.5 -0.996 22.5-124.0-142.4 143.6 -5.6 -16.1 75.1 50 51 D H E -R 14 0B 24 257,-0.5 139,-2.5 139,-0.4 2,-0.4 -0.783 28.6-160.0 -81.7 128.2 -3.3 -19.1 75.0 51 52 D L - 0 0 8 -38,-2.3 -38,-0.4 -2,-0.5 4,-0.1 -0.941 17.0-146.1-112.8 137.3 -1.4 -19.5 78.3 52 53 D V S S+ 0 0 6 -2,-0.4 -1,-0.1 -40,-0.1 -39,-0.1 0.751 88.0 44.1 -75.3 -23.3 1.8 -21.6 78.5 53 54 D L S S- 0 0 2 -40,-0.1 5,-0.1 -42,-0.1 -2,-0.1 -0.839 105.4 -87.1-114.3 153.9 0.9 -22.7 82.0 54 55 D P >> - 0 0 52 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.359 45.8-114.2 -51.0 141.3 -2.4 -23.9 83.4 55 56 D L T 34 S+ 0 0 10 1,-0.3 3,-0.2 2,-0.2 -3,-0.0 0.737 114.2 55.5 -55.3 -24.6 -4.3 -20.8 84.6 56 57 D Q T 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.196 93.9 65.3-101.1 16.1 -4.1 -22.0 88.2 57 58 D Q T X> S+ 0 0 74 -3,-2.2 3,-1.8 2,-0.1 4,-0.6 0.688 83.6 80.1 -94.7 -28.1 -0.3 -22.4 88.4 58 59 D Y G >< S+ 0 0 6 -4,-0.7 3,-1.4 1,-0.3 -2,-0.1 0.805 82.7 57.8 -52.1 -44.4 0.2 -18.6 87.9 59 60 D P G 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.792 107.9 50.4 -58.1 -25.2 -0.5 -17.5 91.5 60 61 D S G <4 S+ 0 0 82 -3,-1.8 2,-1.9 1,-0.2 3,-0.5 0.585 87.6 87.9 -87.3 -11.3 2.3 -19.9 92.5 61 62 D L << + 0 0 3 -3,-1.4 -1,-0.2 -4,-0.6 -3,-0.1 -0.401 48.7 127.4 -79.2 59.4 4.6 -18.3 89.9 62 63 D T + 0 0 91 -2,-1.9 2,-0.6 109,-0.1 -1,-0.2 0.676 48.6 82.4 -90.7 -17.3 5.7 -15.6 92.4 63 64 D D > - 0 0 64 -3,-0.5 4,-2.7 1,-0.1 3,-0.3 -0.776 64.5-153.5 -97.5 124.0 9.5 -16.2 91.9 64 65 D F H > S+ 0 0 8 -2,-0.6 4,-2.4 169,-0.5 5,-0.2 0.862 97.9 57.0 -55.8 -40.1 11.3 -14.6 89.0 65 66 D G H > S+ 0 0 11 2,-0.2 4,-1.5 168,-0.2 -1,-0.2 0.885 110.5 43.2 -59.4 -42.1 13.9 -17.4 89.0 66 67 D D H > S+ 0 0 92 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.957 114.9 49.0 -66.1 -51.3 11.1 -20.0 88.6 67 68 D A H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.819 112.0 49.0 -61.1 -34.7 9.3 -18.1 85.9 68 69 D N H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.839 109.6 50.7 -77.6 -32.8 12.4 -17.5 84.0 69 70 D E H X S+ 0 0 70 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.910 112.2 46.7 -67.6 -45.2 13.5 -21.1 84.0 70 71 D I H X S+ 0 0 28 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.891 109.4 57.5 -60.9 -40.6 10.1 -22.2 82.8 71 72 D F H X S+ 0 0 1 -4,-1.7 4,-3.5 -5,-0.3 5,-0.3 0.951 105.8 48.1 -52.2 -54.9 10.4 -19.5 80.2 72 73 D I H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.949 117.2 41.1 -54.9 -55.6 13.6 -20.9 78.8 73 74 D E H X S+ 0 0 117 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.935 121.1 41.4 -55.6 -55.2 12.3 -24.5 78.6 74 75 D K H X S+ 0 0 71 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.880 113.1 54.3 -63.7 -40.7 8.8 -23.5 77.3 75 76 D A H X S+ 0 0 0 -4,-3.5 4,-1.8 -5,-0.4 -1,-0.2 0.786 107.9 49.6 -68.4 -29.0 10.2 -20.9 74.9 76 77 D V H X S+ 0 0 8 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.896 113.2 45.8 -75.5 -40.0 12.5 -23.4 73.3 77 78 D D H X S+ 0 0 78 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.947 119.8 40.5 -63.1 -50.5 9.7 -25.9 72.8 78 79 D L H X S+ 0 0 9 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.893 114.9 54.6 -61.8 -41.1 7.3 -23.3 71.4 79 80 D G H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.946 110.3 43.7 -59.0 -50.9 10.3 -21.7 69.5 80 81 D V H X S+ 0 0 11 -4,-2.7 4,-3.7 1,-0.2 5,-0.2 0.851 110.8 56.0 -66.7 -35.5 11.1 -25.0 67.7 81 82 D E H X S+ 0 0 89 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.922 110.5 44.5 -60.4 -45.2 7.5 -25.7 67.0 82 83 D A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 111,-0.3 0.928 116.7 46.1 -69.6 -40.2 7.1 -22.4 65.3 83 84 D L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.925 112.7 49.0 -66.4 -45.2 10.4 -22.8 63.4 84 85 D L H X S+ 0 0 79 -4,-3.7 4,-2.7 1,-0.2 -2,-0.2 0.970 113.7 49.1 -56.0 -50.6 9.6 -26.4 62.4 85 86 D G H X S+ 0 0 9 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.899 113.3 44.0 -52.8 -49.4 6.2 -25.1 61.2 86 87 D A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.863 111.9 54.2 -68.4 -36.4 7.7 -22.2 59.2 87 88 D L H <>S+ 0 0 3 -4,-3.2 5,-3.8 2,-0.2 4,-0.3 0.899 110.4 47.3 -58.8 -43.0 10.3 -24.6 57.8 88 89 D D H <5S+ 0 0 124 -4,-2.7 3,-0.5 3,-0.2 -2,-0.2 0.851 109.9 51.9 -67.1 -35.9 7.4 -26.9 56.7 89 90 D D H <5S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 115.4 42.3 -66.4 -38.7 5.5 -23.9 55.2 90 91 D A T <5S- 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.525 110.4-126.8 -77.5 -7.0 8.7 -23.0 53.3 91 92 D N T 5 + 0 0 141 -3,-0.5 2,-0.3 -4,-0.3 -3,-0.2 0.934 68.1 131.8 46.8 51.7 9.2 -26.7 52.5 92 93 D L < - 0 0 20 -5,-3.8 -1,-0.2 -8,-0.2 -2,-0.1 -0.810 51.0-128.2-126.0 167.0 12.7 -26.2 54.0 93 94 D R > - 0 0 158 -2,-0.3 3,-2.5 -3,-0.1 4,-0.5 -0.841 26.0-110.5-120.0 153.3 14.8 -28.1 56.5 94 95 D P G > S+ 0 0 31 0, 0.0 3,-1.7 0, 0.0 30,-0.3 0.866 117.3 61.2 -43.9 -45.6 16.7 -27.1 59.7 95 96 D S G 3 S+ 0 0 62 1,-0.3 29,-0.1 28,-0.2 27,-0.0 0.667 96.6 62.8 -57.0 -18.0 20.1 -27.8 57.8 96 97 D D G < S+ 0 0 24 -3,-2.5 62,-0.4 61,-0.0 2,-0.3 0.681 75.1 106.7 -81.9 -21.5 19.1 -25.0 55.3 97 98 D I < + 0 0 0 -3,-1.7 27,-0.3 -4,-0.5 62,-0.2 -0.457 41.0 177.2 -66.5 119.1 19.0 -22.3 57.9 98 99 D D S S+ 0 0 20 60,-3.3 30,-1.6 1,-0.4 2,-0.3 0.686 70.5 13.2 -99.9 -22.1 22.1 -20.1 57.4 99 100 D M E -cd 128 159A 2 59,-1.4 61,-2.7 28,-0.2 2,-0.5 -0.976 64.4-159.2-153.1 141.2 21.2 -17.5 60.1 100 101 D I E -cd 129 160A 0 28,-2.8 30,-2.4 -2,-0.3 2,-0.4 -0.988 4.9-170.1-125.8 127.2 18.8 -17.5 63.0 101 102 D A E -cd 130 161A 0 59,-3.0 61,-2.6 -2,-0.5 2,-0.4 -0.929 8.8-160.7-116.3 142.9 17.5 -14.4 64.7 102 103 D T E -cd 131 162A 4 28,-1.8 30,-2.1 -2,-0.4 2,-0.4 -0.946 2.9-162.6-127.7 140.9 15.5 -14.8 67.9 103 104 D A E +cd 132 163A 0 59,-2.7 61,-2.5 -2,-0.4 2,-0.3 -0.988 23.6 139.2-131.8 128.6 13.2 -12.2 69.5 104 105 D T E +c 133 0A 10 28,-1.1 30,-0.8 -2,-0.4 32,-0.3 -0.975 21.8 174.6-153.5 152.8 11.9 -12.2 73.0 105 106 D V S S+ 0 0 7 -2,-0.3 60,-0.1 59,-0.2 -1,-0.1 0.327 75.5 73.8-131.2 -0.2 11.3 -9.5 75.7 106 107 D T S S+ 0 0 6 58,-0.3 2,-0.3 1,-0.1 130,-0.1 0.208 100.7 20.3-107.0 14.4 9.6 -11.8 78.2 107 108 D G - 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0 0 53 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.915 42.9-179.6 64.9 42.8 20.3 -29.6 64.8 123 124 D L < - 0 0 12 -5,-2.4 -28,-0.2 -6,-0.2 -1,-0.1 -0.449 44.9 -79.2 -66.3 149.2 21.0 -26.4 62.8 124 125 D R > - 0 0 93 -30,-0.3 3,-2.5 -27,-0.3 -1,-0.1 -0.198 39.2-118.7 -51.0 138.8 24.5 -26.4 61.4 125 126 D P T 3 S+ 0 0 59 0, 0.0 447,-3.0 0, 0.0 -1,-0.2 0.627 112.9 59.3 -61.0 -11.0 27.2 -25.5 64.0 126 127 D D T 3 S+ 0 0 26 445,-0.2 444,-0.5 2,-0.1 -2,-0.1 0.256 71.5 136.9-102.5 13.0 28.0 -22.4 61.9 127 128 D V < - 0 0 0 -3,-2.5 2,-0.6 1,-0.1 -28,-0.2 -0.297 59.5-120.1 -51.3 139.8 24.5 -20.8 61.9 128 129 D R E -c 99 0A 35 -30,-1.6 -28,-2.8 442,-0.0 2,-0.4 -0.801 31.2-151.4 -86.0 120.9 24.8 -17.1 62.4 129 130 D R E +c 100 0A 10 -2,-0.6 -28,-0.2 -30,-0.2 -14,-0.0 -0.804 20.9 178.8-104.2 134.1 22.9 -16.2 65.6 130 131 D M E -c 101 0A 8 -30,-2.4 -28,-1.8 -2,-0.4 2,-1.4 -0.709 7.3-172.7-129.9 82.5 21.2 -12.8 66.3 131 132 D P E -c 102 0A 3 0, 0.0 355,-2.2 0, 0.0 2,-0.4 -0.606 9.4-166.0 -82.3 98.7 19.6 -12.9 69.6 132 133 D L E +cE 103 485A 3 -30,-2.1 -28,-1.1 -2,-1.4 2,-0.4 -0.699 12.7 170.4 -82.4 130.5 17.6 -9.7 69.9 133 134 D F E +c 104 0A 11 351,-1.7 -28,-0.2 -2,-0.4 329,-0.1 -0.997 58.1 32.2-137.6 137.2 16.4 -8.7 73.2 134 135 D G S S+ 0 0 0 -30,-0.8 331,-0.9 -2,-0.4 -29,-0.1 0.483 82.3 101.3 96.6 2.6 14.8 -5.4 74.2 135 136 D L > + 0 0 3 -31,-0.3 3,-1.3 1,-0.2 208,-0.1 0.747 61.4 175.2 -78.0 -30.2 13.2 -4.6 70.9 136 137 D G G > + 0 0 1 -32,-0.3 3,-2.4 1,-0.2 -1,-0.2 -0.292 58.7 0.9 57.2-139.8 10.0 -5.8 72.5 137 138 D C G > S+ 0 0 11 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.648 129.0 61.3 -55.2 -21.3 6.8 -5.5 70.6 138 139 D V G X> S+ 0 0 1 -3,-1.3 4,-2.7 1,-0.2 3,-0.6 0.658 79.2 91.4 -81.3 -14.1 8.6 -4.0 67.6 139 140 D A H <> S+ 0 0 2 -3,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.606 76.0 60.4 -64.2 -19.9 10.7 -7.2 67.1 140 141 D G H <> S+ 0 0 0 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.946 116.0 33.3 -69.3 -49.3 8.4 -8.9 64.7 141 142 D A H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.955 124.7 43.7 -66.0 -55.6 8.6 -6.1 62.2 142 143 D A H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 -3,-0.2 0.857 109.8 57.6 -61.9 -38.6 12.2 -5.2 63.0 143 144 D G H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.925 107.9 47.1 -55.0 -46.8 13.1 -9.0 63.0 144 145 D V H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.898 112.1 50.9 -61.6 -41.9 11.8 -9.2 59.5 145 146 D A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 109.1 50.1 -63.3 -41.0 13.8 -6.1 58.6 146 147 D R H X S+ 0 0 7 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.943 109.2 51.9 -61.2 -50.2 16.9 -7.6 60.1 147 148 D L H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.2 5,-0.3 0.949 111.9 46.6 -45.0 -55.0 16.4 -10.8 58.1 148 149 D R H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.904 111.3 52.3 -55.7 -42.2 16.1 -8.6 55.0 149 150 D D H < S+ 0 0 5 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.850 115.0 41.3 -69.1 -33.2 19.2 -6.7 56.2 150 151 D Y H >X S+ 0 0 11 -4,-3.0 3,-1.4 2,-0.2 4,-0.7 0.940 115.0 49.1 -72.5 -51.6 21.1 -10.0 56.5 151 152 D L H 3< S+ 0 0 2 -4,-3.6 48,-0.4 1,-0.3 -2,-0.2 0.698 102.1 64.8 -63.8 -19.6 19.7 -11.6 53.3 152 153 D R T 3< S+ 0 0 15 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.744 110.0 37.3 -78.8 -20.1 20.6 -8.4 51.4 153 154 D G T <4 S+ 0 0 1 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.441 126.5 40.9-100.4 -5.0 24.3 -9.1 52.0 154 155 D A >< + 0 0 3 -4,-0.7 3,-1.7 1,-0.1 -1,-0.2 -0.558 65.8 170.7-143.3 72.6 23.8 -12.9 51.6 155 156 D P T 3 S+ 0 0 14 0, 0.0 46,-0.9 0, 0.0 45,-0.7 0.573 77.0 52.8 -63.9 -17.9 21.4 -13.5 48.7 156 157 D D T 3 S+ 0 0 81 44,-0.2 2,-0.1 43,-0.1 -5,-0.1 0.392 96.8 93.8 -96.9 0.3 21.9 -17.3 48.5 157 158 D D < - 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