==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 04-SEP-12 4GXQ . COMPND 2 MOLECULE: MALONYL COA SYNTHETASE, BENZOATE-COA LIGASE CHIME . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS, BURKHOLDER . AUTHOR K.C.RANK,H.A.CROSBY,J.C.ESCALANTE-SEMERENA,I.RAYMENT . 1518 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 21 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 84 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.9 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 5 0 3 12 3 5 2 10 3 0 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 4 16 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 . 17 1 6 6 9 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 0 0 0 9 0 0 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 1 A M 0 0 229 0, 0.0 2,-0.5 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 20.6 128.1 -58.6 17.6 2 2 A N - 0 0 33 1,-0.2 151,-0.1 149,-0.1 149,-0.1 -0.566 360.0-159.0 -68.4 120.6 127.4 -56.1 14.7 3 3 A A + 0 0 19 149,-1.5 150,-0.2 -2,-0.5 -1,-0.2 0.579 49.7 128.7 -73.9 -13.0 123.7 -55.5 14.5 4 4 A N > - 0 0 0 148,-0.5 4,-2.5 146,-0.2 3,-0.5 -0.233 64.8-132.2 -47.8 129.7 124.0 -54.3 10.9 5 5 A L H > S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.845 105.7 53.0 -60.9 -37.2 121.5 -56.3 8.9 6 6 A F H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.886 109.9 48.5 -63.7 -41.5 124.1 -57.2 6.2 7 7 A A H > S+ 0 0 11 -3,-0.5 4,-2.7 2,-0.2 5,-0.4 0.925 110.5 50.8 -64.2 -44.9 126.5 -58.5 8.9 8 8 A R H < S+ 0 0 106 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.929 116.8 42.8 -57.7 -44.6 123.7 -60.6 10.4 9 9 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.904 134.3 8.2 -66.2 -44.7 122.9 -62.0 7.0 10 10 A F H < S+ 0 0 11 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.503 91.4 96.0-127.0 -8.0 126.4 -62.6 5.7 11 11 A D S < S+ 0 0 142 -4,-2.7 2,-0.7 -5,-0.3 -3,-0.1 0.892 97.5 40.9 -60.9 -38.7 129.3 -62.2 8.2 12 12 A X S S+ 0 0 198 -5,-0.4 2,-0.6 -4,-0.2 -1,-0.2 -0.933 74.1 171.7-108.4 106.8 129.3 -65.9 8.8 13 13 A L + 0 0 40 -2,-0.7 -3,-0.1 1,-0.1 -4,-0.0 -0.864 8.8 173.3-119.0 97.8 128.8 -67.7 5.5 14 14 A D S S+ 0 0 139 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.671 81.4 33.4 -82.4 -15.1 129.3 -71.5 5.9 15 15 A D > + 0 0 85 1,-0.1 3,-1.4 3,-0.0 16,-0.3 -0.550 68.9 166.0-135.6 72.3 128.2 -72.4 2.4 16 16 A P T 3 S+ 0 0 43 0, 0.0 16,-2.7 0, 0.0 17,-0.3 0.728 71.8 54.9 -65.0 -26.2 129.4 -69.5 0.1 17 17 A H T 3 S+ 0 0 155 14,-0.2 3,-0.1 13,-0.2 -2,-0.0 0.509 79.8 116.6 -90.6 -2.7 128.9 -71.2 -3.3 18 18 A X S < S- 0 0 94 -3,-1.4 13,-2.1 1,-0.1 14,-0.2 -0.321 78.8 -95.1 -58.6 143.0 125.3 -72.1 -2.7 19 19 A L E +A 30 0A 42 11,-0.2 11,-0.3 1,-0.2 -1,-0.1 -0.438 45.7 168.7 -60.9 130.7 122.8 -70.5 -5.1 20 20 A A E + 0 0 0 9,-2.8 205,-1.7 1,-0.3 2,-0.4 0.761 64.5 14.4-105.7 -49.8 121.2 -67.3 -3.8 21 21 A I E -Ab 29 225A 0 8,-2.3 8,-3.1 203,-0.2 2,-0.5 -0.987 49.2-164.9-137.6 129.9 119.5 -65.8 -6.9 22 22 A E E -Ab 28 226A 12 203,-2.9 205,-2.7 -2,-0.4 6,-0.2 -0.947 29.5-140.0-101.5 129.1 118.5 -67.0 -10.3 23 23 A T E > - b 0 227A 24 4,-2.7 3,-1.3 -2,-0.5 205,-0.1 -0.324 26.9 -99.7 -85.0 170.9 117.6 -64.1 -12.6 24 24 A A T 3 S+ 0 0 50 203,-0.7 -1,-0.1 1,-0.3 204,-0.1 0.800 125.8 52.9 -58.8 -30.7 114.8 -63.9 -15.1 25 25 A A T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.0 203,-0.0 0.613 122.8-105.9 -81.0 -14.6 117.3 -64.7 -17.9 26 26 A G < + 0 0 33 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.508 69.5 144.9 102.6 7.1 118.5 -67.8 -16.0 27 27 A D - 0 0 111 1,-0.0 -4,-2.7 -5,-0.0 2,-0.5 -0.549 41.3-138.0 -74.6 144.1 121.9 -66.5 -14.7 28 28 A X E -A 22 0A 161 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.920 14.8-166.0-115.7 129.2 122.8 -67.9 -11.3 29 29 A I E -A 21 0A 6 -8,-3.1 -9,-2.8 -2,-0.5 -8,-2.3 -0.960 11.4-146.4-117.6 122.5 124.3 -65.9 -8.5 30 30 A S E > -A 19 0A 11 -2,-0.5 4,-2.3 -11,-0.3 -11,-0.2 -0.256 30.1-104.7 -77.0 168.7 125.9 -67.5 -5.4 31 31 A Y H > S+ 0 0 0 -13,-2.1 4,-2.5 -15,-0.3 -14,-0.2 0.939 123.4 49.2 -56.0 -49.0 125.9 -66.2 -1.8 32 32 A A H > S+ 0 0 35 -16,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.886 111.7 49.0 -60.8 -40.7 129.6 -65.2 -2.2 33 33 A E H > S+ 0 0 103 -17,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.863 110.5 50.4 -67.0 -37.8 128.9 -63.5 -5.5 34 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.912 111.0 49.4 -65.0 -42.4 125.9 -61.6 -4.0 35 35 A V H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.929 111.1 49.0 -62.7 -45.6 128.1 -60.4 -1.2 36 36 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.862 109.2 52.5 -65.0 -36.9 130.9 -59.3 -3.5 37 37 A R H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.2 50.6 -60.9 -42.8 128.4 -57.3 -5.7 38 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.839 107.5 53.7 -65.1 -35.9 127.1 -55.6 -2.5 39 39 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.913 108.2 49.2 -61.8 -46.5 130.7 -54.7 -1.6 40 40 A R H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.945 114.6 44.5 -57.2 -50.6 131.4 -53.1 -5.0 41 41 A V H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.853 109.2 55.7 -68.7 -35.6 128.2 -51.0 -4.8 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.935 108.6 49.0 -59.8 -45.4 128.8 -50.1 -1.1 43 43 A N H X S+ 0 0 46 -4,-2.3 4,-2.1 101,-0.3 -2,-0.2 0.847 109.3 53.0 -61.1 -35.9 132.2 -48.7 -2.3 44 44 A V H X S+ 0 0 4 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.907 106.3 52.6 -63.5 -42.8 130.4 -46.8 -5.1 45 45 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.947 111.2 46.1 -61.4 -46.0 128.0 -45.2 -2.6 46 46 A V H ><5S+ 0 0 75 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.886 111.1 53.1 -62.4 -38.5 130.9 -44.0 -0.5 47 47 A A H 3<5S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.708 107.8 52.1 -68.4 -20.6 132.6 -42.7 -3.6 48 48 A R T <<5S- 0 0 91 -4,-1.4 -1,-0.3 -3,-0.6 76,-0.2 0.147 132.3 -89.3-103.4 16.9 129.4 -40.8 -4.5 49 49 A G T < 5 + 0 0 21 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.436 65.9 161.6 100.9 4.2 129.4 -39.2 -1.0 50 50 A L < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.322 15.1-171.4 -57.5 128.7 127.4 -41.4 1.3 51 51 A Q > - 0 0 139 4,-0.1 3,-2.4 26,-0.0 51,-0.1 -0.886 42.7 -78.5-115.3 158.1 127.9 -40.8 5.0 52 52 A V T 3 S+ 0 0 72 -2,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.265 120.2 22.2 -59.1 132.5 126.6 -43.1 7.7 53 53 A G T 3 S+ 0 0 25 24,-3.0 -1,-0.3 1,-0.3 25,-0.2 0.207 91.0 132.8 95.6 -15.7 122.9 -42.4 8.2 54 54 A D < - 0 0 36 -3,-2.4 25,-3.0 1,-0.1 -1,-0.3 -0.382 56.4-118.3 -66.9 148.2 122.3 -40.8 4.8 55 55 A R E -g 79 0B 28 45,-0.4 47,-2.1 44,-0.2 48,-1.3 -0.671 16.6-158.9 -85.6 139.6 119.3 -41.9 2.7 56 56 A V E -gh 80 103B 0 23,-2.2 25,-2.8 -2,-0.3 2,-0.4 -0.991 13.6-155.8-112.0 117.4 119.7 -43.5 -0.7 57 57 A A E -gh 81 104B 2 46,-2.7 48,-3.0 -2,-0.5 2,-0.5 -0.798 10.8-168.6 -97.1 133.8 116.5 -43.1 -2.7 58 58 A A E +gh 82 105B 5 23,-2.6 25,-2.6 -2,-0.4 2,-0.5 -0.968 20.8 168.5-133.7 118.0 115.8 -45.7 -5.4 59 59 A Q E + h 0 106B 6 46,-2.9 48,-0.6 -2,-0.5 2,-0.3 -0.902 35.2 129.6-122.1 100.2 113.3 -45.7 -8.2 60 60 A T - 0 0 14 -2,-0.5 25,-0.1 23,-0.3 69,-0.1 -0.953 61.5 -93.9-144.4 159.4 114.2 -48.5 -10.7 61 61 A E - 0 0 79 67,-0.4 2,-0.3 -2,-0.3 5,-0.1 -0.342 63.3 -84.6 -64.6 160.3 112.6 -51.4 -12.4 62 62 A X + 0 0 19 167,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.560 67.3 136.1 -79.1 132.7 113.2 -54.6 -10.6 63 63 A S > - 0 0 12 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.961 67.5-100.8-161.5 162.0 116.4 -56.5 -11.1 64 64 A V H > S+ 0 0 7 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.897 122.2 62.3 -56.9 -34.7 119.0 -58.3 -9.0 65 65 A E H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 103.1 48.7 -59.8 -38.0 121.1 -55.1 -9.3 66 66 A A H > S+ 0 0 1 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.872 109.4 51.4 -67.5 -39.0 118.4 -53.2 -7.5 67 67 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.921 108.7 52.2 -62.7 -42.5 118.3 -55.8 -4.8 68 68 A V H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.865 103.3 58.0 -58.8 -40.2 122.0 -55.4 -4.4 69 69 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.921 106.6 49.3 -57.9 -44.5 121.7 -51.6 -4.1 70 70 A Y H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.953 114.0 44.5 -56.3 -53.3 119.4 -52.3 -1.1 71 71 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.899 114.6 49.6 -61.2 -41.6 121.9 -54.7 0.5 72 72 A A H X S+ 0 0 0 -4,-3.5 4,-2.2 2,-0.2 6,-0.2 0.879 108.1 52.6 -65.5 -39.7 124.8 -52.3 -0.2 73 73 A T H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 -1,-0.2 0.952 113.0 44.1 -61.1 -47.9 123.1 -49.3 1.2 74 74 A V H ><5S+ 0 0 2 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.922 112.5 53.1 -61.1 -47.5 122.4 -51.1 4.5 75 75 A R H 3<5S+ 0 0 20 -4,-2.5 75,-2.3 1,-0.3 -1,-0.2 0.860 106.7 52.5 -56.1 -40.5 126.0 -52.5 4.5 76 76 A A T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 73,-0.2 -2,-0.2 0.324 121.7-104.5 -84.4 8.4 127.5 -49.0 4.1 77 77 A G T < 5S+ 0 0 0 -3,-1.6 -24,-3.0 1,-0.2 -3,-0.2 0.629 79.7 132.8 80.5 14.4 125.5 -47.7 7.1 78 78 A G < - 0 0 0 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.274 61.1-113.8 -89.4 179.1 123.1 -45.8 4.9 79 79 A V E -g 55 0B 5 -25,-3.0 -23,-2.2 -2,-0.1 2,-0.3 -0.958 29.0-140.1-122.1 110.2 119.3 -45.8 5.0 80 80 A Y E -gi 56 159B 5 78,-2.3 80,-2.1 -2,-0.6 -23,-0.2 -0.569 19.1-176.7 -82.1 130.6 117.6 -47.4 2.0 81 81 A L E -g 57 0B 1 -25,-2.8 -23,-2.6 -2,-0.3 2,-0.2 -0.850 4.5-168.7-129.5 91.4 114.5 -45.8 0.6 82 82 A P E -g 58 0B 5 0, 0.0 80,-0.5 0, 0.0 2,-0.4 -0.530 9.6-154.1 -78.9 152.2 112.8 -47.6 -2.3 83 83 A L - 0 0 5 -25,-2.6 -23,-0.3 -2,-0.2 124,-0.1 -0.994 29.4 -91.2-132.2 137.0 110.1 -45.7 -4.2 84 84 A N > - 0 0 29 -2,-0.4 3,-1.6 122,-0.2 8,-0.0 -0.104 32.8-137.1 -43.4 127.7 107.1 -47.0 -6.2 85 85 A T T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -25,-0.1 -24,-0.1 0.784 101.0 58.1 -62.0 -28.2 108.3 -47.4 -9.8 86 86 A A T 3 S+ 0 0 60 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.512 75.3 120.5 -83.7 -6.4 105.1 -45.8 -11.1 87 87 A Y < - 0 0 29 -3,-1.6 2,-0.0 4,-0.1 -4,-0.0 -0.381 60.3-132.5 -60.3 133.4 105.5 -42.5 -9.2 88 88 A T > - 0 0 73 -2,-0.1 4,-3.4 1,-0.1 5,-0.2 -0.274 27.6 -97.0 -76.8 171.4 105.6 -39.6 -11.6 89 89 A L H > S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.894 127.6 45.4 -54.3 -45.2 108.2 -36.8 -11.5 90 90 A H H > S+ 0 0 151 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.919 113.8 48.0 -67.8 -44.7 105.9 -34.6 -9.5 91 91 A E H >> S+ 0 0 88 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.922 111.0 53.1 -57.4 -43.5 104.8 -37.4 -7.2 92 92 A L H 3X S+ 0 0 2 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.817 95.4 70.3 -62.6 -32.2 108.6 -38.2 -6.7 93 93 A D H 3X S+ 0 0 25 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.867 95.4 52.3 -54.2 -43.1 109.3 -34.6 -5.8 94 94 A Y H - 0 0 21 -48,-0.6 3,-1.7 -2,-0.2 4,-0.3 -0.457 42.9-121.4 -68.1 143.7 115.9 -45.2 -14.5 108 108 A P G > S+ 0 0 61 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.843 111.6 59.6 -53.3 -33.5 118.2 -43.8 -17.3 109 109 A S G 3 S+ 0 0 101 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.589 109.1 42.9 -74.2 -10.6 115.1 -42.5 -19.2 110 110 A X G <> S+ 0 0 86 -3,-1.7 4,-2.3 1,-0.1 5,-0.3 0.302 82.2 106.9-113.9 7.0 114.1 -40.3 -16.3 111 111 A R H <> S+ 0 0 92 -3,-1.1 4,-3.1 -4,-0.3 5,-0.2 0.903 75.1 50.1 -58.8 -52.9 117.5 -38.9 -15.4 112 112 A D H > S+ 0 0 143 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.906 116.1 42.9 -55.2 -45.6 117.3 -35.3 -16.6 113 113 A G H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.888 116.8 46.0 -67.1 -40.9 113.9 -34.8 -14.8 114 114 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.833 104.2 62.8 -75.3 -30.8 115.0 -36.5 -11.6 115 115 A A H X S+ 0 0 29 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.871 102.3 51.6 -57.7 -38.3 118.3 -34.6 -11.6 116 116 A A H X S+ 0 0 66 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.937 112.1 44.9 -63.8 -45.8 116.4 -31.4 -11.3 117 117 A I H >< S+ 0 0 17 -4,-1.3 3,-0.6 1,-0.2 4,-0.5 0.883 113.0 52.7 -63.8 -39.3 114.4 -32.7 -8.3 118 118 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-1.1 0.845 98.1 64.6 -65.2 -37.0 117.6 -34.1 -6.9 119 119 A A H ><5S+ 0 0 71 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.797 89.6 67.6 -58.5 -31.9 119.4 -30.7 -7.1 120 120 A X T <<5S+ 0 0 172 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.835 113.2 29.8 -59.6 -35.2 117.0 -29.1 -4.6 121 121 A V T < 5S- 0 0 42 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.302 115.2-112.1-105.2 6.2 118.4 -31.3 -1.8 122 122 A G T < 5 + 0 0 44 -3,-0.7 -3,-0.2 -4,-0.5 2,-0.2 0.805 58.9 164.3 71.5 31.9 121.9 -31.5 -3.3 123 123 A A < - 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0 0 74 -104,-0.1 -101,-0.3 -105,-0.1 -100,-0.1 -0.433 17.1-145.4 -70.2 143.7 136.7 -53.1 -4.9 145 145 A E S S+ 0 0 98 -2,-0.1 2,-0.2 -106,-0.1 -1,-0.1 0.796 75.2 92.3 -77.4 -31.5 134.6 -56.1 -3.6 146 146 A A + 0 0 76 -107,-0.1 2,-0.3 -106,-0.0 -2,-0.1 -0.459 51.1 164.6 -73.1 133.3 136.1 -55.8 -0.1 147 147 A F - 0 0 30 -2,-0.2 2,-1.2 -105,-0.0 -107,-0.1 -0.944 38.2-130.8-152.8 127.2 134.1 -53.6 2.3 148 148 A A - 0 0 86 -2,-0.3 3,-0.1 -109,-0.1 -2,-0.0 -0.666 35.7-127.5 -80.9 98.8 134.1 -53.2 6.1 149 149 A T - 0 0 37 -2,-1.2 -73,-0.2 1,-0.1 2,-0.1 -0.206 30.9-108.2 -48.7 128.9 130.5 -53.5 6.9 150 150 A I - 0 0 50 -75,-2.3 2,-0.3 -76,-0.1 -143,-0.2 -0.374 28.9-112.0 -70.4 136.7 129.6 -50.5 9.1 151 151 A D + 0 0 111 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.535 44.5 175.3 -69.1 126.9 128.9 -51.1 12.8 152 152 A R - 0 0 48 -2,-0.3 -149,-1.5 4,-0.1 -148,-0.5 -0.982 23.7-131.2-132.6 144.7 125.2 -50.4 13.5 153 153 A G > - 0 0 31 -2,-0.3 3,-1.4 -150,-0.2 24,-0.4 -0.495 35.1 -99.8 -86.1 164.6 123.2 -50.8 16.7 154 154 A A T 3 S+ 0 0 40 1,-0.3 24,-2.8 -2,-0.2 25,-0.4 0.838 122.5 42.7 -49.4 -42.8 119.8 -52.6 16.9 155 155 A D T 3 S+ 0 0 94 22,-0.2 -1,-0.3 21,-0.2 2,-0.1 0.462 87.3 111.5 -90.7 -4.1 117.9 -49.3 16.9 156 156 A D S < S- 0 0 59 -3,-1.4 21,-2.3 1,-0.1 22,-0.3 -0.414 78.7 -97.4 -67.3 149.5 119.9 -47.6 14.1 157 157 A L E + K 0 176B 36 19,-0.2 19,-0.3 1,-0.1 -104,-0.1 -0.464 42.1 168.9 -74.1 136.6 118.0 -47.1 10.9 158 158 A A E + 0 0 0 17,-2.9 -78,-2.3 1,-0.4 2,-0.3 0.587 68.4 3.1-108.3 -31.8 118.4 -49.5 8.0 159 159 A A E -iK 80 175B 0 16,-2.1 16,-2.9 -80,-0.3 2,-0.4 -0.992 46.6-148.2-153.9 156.4 115.5 -48.3 5.8 160 160 A I E - 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