==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-DEC-12 4I8Q . COMPND 2 MOLECULE: PUTATIVE BETAINE ALDEHYDE DEHYROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR S.MORERA,A.VIGOUROUX,D.KOPECNY . 495 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 0 0 0 1 1 1 0 1 3 0 2 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 3 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 . 2 2 1 1 0 1 0 0 1 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 . 1 1 0 0 0 1 1 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 7 A P 0 0 144 0, 0.0 88,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.8 -34.1 5.8 -15.2 2 8 A I - 0 0 50 31,-0.2 2,-0.1 1,-0.0 33,-0.0 -0.701 360.0-131.0 -83.3 120.0 -31.1 7.1 -13.2 3 9 A P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 32,-0.3 -0.421 7.2-151.4 -75.5 149.2 -27.8 5.2 -13.7 4 10 A R + 0 0 166 -2,-0.1 2,-0.2 30,-0.1 32,-0.1 -0.937 32.6 163.1-119.1 96.6 -25.7 4.0 -10.7 5 11 A R - 0 0 64 -2,-0.5 2,-0.2 30,-0.3 185,-0.1 -0.478 28.8-133.1-107.0 176.8 -22.0 3.8 -11.9 6 12 A Q - 0 0 34 -2,-0.2 2,-0.2 1,-0.1 9,-0.2 -0.507 49.2 -61.6-117.5-173.3 -18.5 3.6 -10.4 7 13 A L E -A 14 0A 0 7,-1.8 7,-3.7 -2,-0.2 2,-0.9 -0.537 49.4-128.9 -74.3 138.2 -15.3 5.6 -11.1 8 14 A Y E +AB 13 207A 3 199,-1.9 199,-1.9 5,-0.2 2,-0.4 -0.811 45.3 155.8 -94.5 101.7 -14.1 5.0 -14.7 9 15 A I E > -A 12 0A 6 3,-2.0 3,-1.6 -2,-0.9 197,-0.1 -0.998 60.0 -7.2-132.6 133.1 -10.4 4.1 -14.3 10 16 A G T 3 S- 0 0 22 -2,-0.4 192,-0.2 1,-0.3 -1,-0.1 0.827 123.6 -58.4 53.1 41.3 -8.1 2.1 -16.7 11 17 A G T 3 S+ 0 0 8 194,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.371 122.2 87.8 75.0 -4.8 -10.9 1.1 -19.1 12 18 A E E < S-A 9 0A 106 -3,-1.6 -3,-2.0 -5,-0.0 2,-0.6 -0.822 86.4-104.0-121.0 160.4 -12.9 -0.7 -16.3 13 19 A W E -A 8 0A 62 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.767 44.3-169.4 -83.5 120.4 -15.5 0.5 -13.8 14 20 A R E -A 7 0A 119 -7,-3.7 -7,-1.8 -2,-0.6 3,-0.1 -0.972 18.7-127.3-121.2 130.2 -13.7 0.7 -10.4 15 21 A E - 0 0 95 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.1 -0.332 37.5 -98.9 -64.1 148.8 -15.2 1.3 -7.0 16 22 A P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.552 30.2-124.5 -73.2 135.4 -13.8 4.2 -4.8 17 23 A V T 3 S+ 0 0 68 1,-0.3 22,-0.1 -2,-0.2 -2,-0.1 0.820 112.3 43.3 -42.9 -46.9 -11.3 2.8 -2.2 18 24 A K T 3 S- 0 0 116 20,-0.1 -1,-0.3 2,-0.1 21,-0.0 0.423 106.2-129.4 -84.8 -1.6 -13.2 4.4 0.8 19 25 A K < + 0 0 123 -3,-2.1 -2,-0.1 1,-0.2 20,-0.1 0.432 53.3 156.2 65.3 6.3 -16.6 3.2 -0.7 20 26 A N - 0 0 80 18,-0.2 18,-2.2 17,-0.1 2,-0.3 -0.194 20.6-173.8 -66.0 146.8 -18.0 6.7 -0.3 21 27 A R E -H 37 0B 51 16,-0.3 -1,-0.0 189,-0.0 14,-0.0 -0.954 12.7-150.7-140.5 152.6 -20.9 8.2 -2.4 22 28 A I E -H 36 0B 31 14,-2.8 14,-2.9 -2,-0.3 2,-0.0 -0.959 29.8-104.2-127.0 142.5 -22.7 11.5 -2.8 23 29 A P E -H 35 0B 63 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.308 15.0-134.9 -70.6 157.3 -26.3 12.1 -3.7 24 30 A I E -H 34 0B 5 10,-1.8 9,-1.6 160,-0.0 10,-1.0 -0.936 27.3-158.2-102.4 124.1 -27.8 13.3 -7.0 25 31 A I E -H 32 0B 69 -2,-0.5 7,-0.2 7,-0.2 10,-0.0 -0.900 13.5-134.9-109.9 136.3 -30.4 15.9 -6.3 26 32 A N E >> -H 31 0B 12 5,-2.5 4,-2.4 -2,-0.4 5,-0.6 -0.851 11.6-158.1 -89.3 115.2 -33.2 16.8 -8.7 27 33 A P T 45S+ 0 0 1 0, 0.0 341,-2.1 0, 0.0 304,-0.2 0.746 90.5 52.8 -68.1 -22.1 -33.4 20.7 -8.8 28 34 A A T 45S+ 0 0 6 339,-0.2 338,-0.1 64,-0.2 341,-0.1 0.809 127.6 19.6 -76.7 -33.2 -37.1 20.7 -10.1 29 35 A T T 45S- 0 0 41 -3,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.452 91.9-129.6-117.8 -6.1 -38.3 18.4 -7.2 30 36 A E T <5 + 0 0 76 -4,-2.4 2,-0.3 1,-0.2 -5,-0.0 0.817 64.4 132.4 52.6 41.5 -35.7 18.6 -4.4 31 37 A E E < -H 26 0B 113 -5,-0.6 -5,-2.5 0, 0.0 2,-0.7 -0.888 67.9-111.4-120.1 149.9 -35.5 14.8 -4.2 32 38 A I E +H 25 0B 125 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.741 35.8 174.6 -79.3 116.1 -32.6 12.4 -4.1 33 39 A I E - 0 0 43 -9,-1.6 2,-0.3 -2,-0.7 -31,-0.2 0.393 61.5 -46.4-100.3 -3.9 -32.9 10.6 -7.6 34 40 A G E -H 24 0B 22 -10,-1.0 -10,-1.8 2,-0.0 2,-0.3 -0.957 58.7 -94.6 169.8-157.3 -29.6 8.7 -7.1 35 41 A D E -H 23 0B 45 -12,-0.3 -30,-0.3 -32,-0.3 -3,-0.0 -0.972 16.1-151.2-156.4 149.4 -25.9 8.8 -6.1 36 42 A I E -H 22 0B 5 -14,-2.9 -14,-2.8 -2,-0.3 -30,-0.1 -0.875 37.1 -94.8-121.0 152.9 -22.5 9.2 -7.7 37 43 A P E -H 21 0B 0 0, 0.0 2,-0.6 0, 0.0 -16,-0.3 -0.406 29.6-144.1 -68.6 143.6 -19.2 7.8 -6.5 38 44 A A - 0 0 2 -18,-2.2 172,-0.3 172,-0.1 -18,-0.2 -0.772 18.9-157.1-112.8 87.2 -17.1 10.2 -4.4 39 45 A A - 0 0 0 170,-2.0 172,-0.2 -2,-0.6 2,-0.2 -0.059 8.6-164.8 -53.4 157.9 -13.4 9.6 -5.2 40 46 A T > - 0 0 2 175,-0.1 4,-1.8 170,-0.1 3,-0.3 -0.706 43.0 -72.1-135.0-177.3 -10.5 10.5 -2.7 41 47 A A H > S+ 0 0 44 1,-0.2 4,-1.7 -2,-0.2 3,-0.1 0.872 129.6 52.2 -45.8 -52.3 -6.7 11.0 -2.8 42 48 A E H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 108.6 51.6 -54.7 -44.5 -6.0 7.2 -3.1 43 49 A D H > S+ 0 0 2 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.889 105.6 55.3 -58.7 -43.0 -8.4 7.0 -6.1 44 50 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.877 106.9 51.0 -59.2 -39.0 -6.6 10.0 -7.8 45 51 A D H X S+ 0 0 84 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.868 109.7 49.3 -67.4 -38.5 -3.2 8.0 -7.6 46 52 A I H X S+ 0 0 55 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.955 114.4 45.6 -65.1 -47.0 -4.9 4.9 -9.2 47 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.830 112.5 49.7 -65.6 -34.6 -6.2 7.1 -12.0 48 54 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.938 111.7 49.9 -70.6 -40.1 -2.9 8.9 -12.5 49 55 A E H X S+ 0 0 79 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 111.3 48.4 -58.8 -46.7 -1.2 5.4 -12.6 50 56 A A H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.887 113.2 48.0 -59.0 -43.6 -3.8 4.3 -15.2 51 57 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.891 111.7 48.9 -65.6 -43.2 -3.1 7.6 -17.2 52 58 A R H X S+ 0 0 104 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.904 110.8 51.4 -63.1 -42.0 0.7 7.1 -17.0 53 59 A K H X S+ 0 0 105 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.828 107.7 52.4 -62.7 -37.0 0.3 3.4 -18.2 54 60 A A H < S+ 0 0 0 -4,-1.7 7,-1.2 2,-0.2 6,-0.3 0.853 109.0 50.0 -65.8 -37.2 -1.8 4.5 -21.2 55 61 A I H < S+ 0 0 58 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.764 114.7 44.7 -72.5 -26.1 1.0 7.0 -22.1 56 62 A A H < S+ 0 0 87 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.655 101.5 81.1 -91.5 -25.4 3.6 4.1 -21.8 57 63 A R S X S- 0 0 85 -4,-1.6 4,-1.2 -5,-0.1 3,-0.5 -0.319 81.2-122.7 -80.1 167.3 1.5 1.5 -23.8 58 64 A D H > S+ 0 0 127 1,-0.2 4,-1.0 3,-0.2 -1,-0.1 0.848 101.5 65.1 -81.4 -37.6 1.3 1.2 -27.6 59 65 A D H 4 S+ 0 0 82 2,-0.1 -1,-0.2 1,-0.1 -4,-0.1 0.388 127.1 9.3 -69.5 3.9 -2.5 1.4 -28.2 60 66 A W H >4 S+ 0 0 3 -3,-0.5 3,-1.2 -6,-0.3 -5,-0.2 0.414 127.0 52.3-142.7 -55.5 -2.4 5.1 -26.8 61 67 A G H 3< S+ 0 0 39 -7,-1.2 -3,-0.2 -4,-1.2 -2,-0.1 0.550 119.2 39.1 -66.7 -11.1 1.2 6.3 -26.4 62 68 A S T 3< S+ 0 0 74 -4,-1.0 -1,-0.2 -5,-0.1 -3,-0.1 0.261 88.1 126.0-122.3 9.7 2.1 5.3 -30.0 63 69 A T < - 0 0 18 -3,-1.2 2,-0.1 110,-0.1 -4,-0.1 -0.382 54.9-129.9 -73.4 147.7 -1.2 6.3 -31.8 64 70 A T > - 0 0 51 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.440 30.0-109.3 -83.0 164.4 -1.3 8.6 -34.9 65 71 A G H > S+ 0 0 0 54,-0.2 4,-2.5 1,-0.2 55,-0.3 0.920 121.4 56.5 -61.6 -42.8 -3.8 11.5 -34.8 66 72 A A H > S+ 0 0 28 54,-0.3 4,-1.4 53,-0.3 -1,-0.2 0.843 107.2 49.3 -55.4 -40.0 -5.9 9.7 -37.4 67 73 A Q H > S+ 0 0 83 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.898 111.8 48.3 -67.5 -41.0 -6.1 6.7 -35.1 68 74 A R H X S+ 0 0 11 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.862 108.0 55.8 -66.8 -36.3 -7.1 8.9 -32.2 69 75 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.806 96.3 63.1 -66.8 -33.3 -9.8 10.6 -34.5 70 76 A K H X S+ 0 0 143 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.929 107.3 46.3 -55.2 -42.3 -11.5 7.2 -35.3 71 77 A Y H X S+ 0 0 62 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.865 111.3 48.4 -66.7 -46.0 -12.2 7.1 -31.5 72 78 A L H X S+ 0 0 1 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.874 110.9 51.3 -65.8 -38.2 -13.5 10.7 -31.1 73 79 A R H X S+ 0 0 87 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.841 111.2 49.6 -66.0 -31.5 -15.8 10.2 -34.2 74 80 A A H X S+ 0 0 33 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.870 109.4 49.4 -74.6 -38.8 -17.1 7.0 -32.5 75 81 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-0.3 0.949 111.1 51.2 -66.1 -43.9 -17.7 8.9 -29.1 76 82 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.924 108.5 52.3 -55.6 -45.3 -19.6 11.6 -31.2 77 83 A A H X S+ 0 0 51 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.810 109.7 47.9 -61.3 -36.4 -21.8 8.8 -32.9 78 84 A K H X S+ 0 0 50 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.879 109.7 52.8 -73.0 -36.9 -22.7 7.3 -29.4 79 85 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 7,-0.2 0.961 113.9 43.7 -58.6 -51.9 -23.7 10.8 -28.1 80 86 A L H >< S+ 0 0 79 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.834 111.7 53.9 -63.0 -35.1 -25.9 11.2 -31.1 81 87 A E H 3< S+ 0 0 138 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.902 119.7 32.9 -62.8 -45.1 -27.3 7.6 -30.8 82 88 A K T >X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 3,-0.7 0.104 80.6 128.1-100.3 19.2 -28.4 8.2 -27.1 83 89 A K H <> S+ 0 0 63 -3,-0.7 4,-2.1 1,-0.2 5,-0.2 0.832 72.3 50.1 -39.6 -53.3 -29.2 12.0 -27.6 84 90 A S H 3> S+ 0 0 101 -3,-0.3 4,-1.3 -4,-0.2 -1,-0.2 0.808 114.3 40.4 -59.1 -44.8 -32.7 11.6 -25.9 85 91 A V H <> S+ 0 0 82 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.922 117.9 48.2 -72.7 -46.9 -31.7 9.7 -22.7 86 92 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.825 112.3 49.4 -59.7 -40.6 -28.5 11.9 -22.2 87 93 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.861 112.0 48.2 -68.8 -37.8 -30.5 15.1 -22.7 88 94 A T H X S+ 0 0 41 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.921 114.8 45.3 -68.0 -42.4 -33.2 13.9 -20.2 89 95 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.2 52.6 -69.7 -42.2 -30.5 13.0 -17.7 90 96 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.4 0.920 114.0 46.6 -57.0 -43.6 -28.5 16.3 -18.2 91 97 A S H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 114.0 44.5 -63.1 -49.6 -31.9 18.1 -17.5 92 98 A L H < S+ 0 0 34 -4,-2.5 -64,-0.2 1,-0.2 -1,-0.2 0.786 120.6 44.2 -64.9 -31.3 -32.8 16.0 -14.4 93 99 A D H < S+ 0 0 5 -4,-2.5 -2,-0.2 -5,-0.2 -68,-0.2 0.769 128.9 20.5 -86.6 -32.9 -29.2 16.4 -13.2 94 100 A S H < S- 0 0 4 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.651 94.7-119.3-112.5 -23.5 -28.6 20.2 -13.8 95 101 A G < + 0 0 0 -4,-2.2 -4,-0.2 -5,-0.4 -3,-0.1 0.228 64.2 143.5 99.5 -11.6 -32.2 21.8 -14.1 96 102 A K - 0 0 2 -6,-0.4 -1,-0.3 233,-0.1 -2,-0.2 -0.269 60.3 -96.6 -57.4 142.6 -31.4 22.9 -17.7 97 103 A T > - 0 0 3 230,-0.1 4,-2.8 1,-0.1 3,-0.3 -0.351 29.1-116.8 -64.3 148.3 -34.5 22.7 -20.2 98 104 A L H > S+ 0 0 59 223,-2.5 4,-2.7 225,-0.3 5,-0.2 0.839 116.4 56.5 -52.2 -36.1 -34.6 19.5 -22.3 99 105 A Y H > S+ 0 0 169 222,-0.2 4,-2.2 227,-0.2 -1,-0.2 0.927 111.2 40.5 -60.2 -52.6 -34.2 21.8 -25.4 100 106 A E H > S+ 0 0 33 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.888 115.4 53.8 -64.7 -39.2 -30.9 23.4 -24.2 101 107 A S H X S+ 0 0 0 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.881 111.3 43.1 -63.1 -43.5 -29.9 19.9 -22.9 102 108 A A H X S+ 0 0 25 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.866 113.3 54.4 -68.9 -35.7 -30.5 18.3 -26.4 103 109 A A H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.867 107.5 49.5 -66.5 -36.0 -28.7 21.5 -27.9 104 110 A D H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.775 107.0 56.7 -71.4 -27.1 -25.7 20.8 -25.7 105 111 A M H X S+ 0 0 0 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.852 107.9 46.1 -74.2 -30.6 -25.8 17.2 -26.9 106 112 A D H X S+ 0 0 74 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.948 112.7 50.7 -70.4 -48.6 -25.5 18.3 -30.6 107 113 A D H X S+ 0 0 85 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.833 107.4 54.8 -52.9 -44.4 -22.7 20.8 -29.6 108 114 A V H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 3,-0.4 0.927 110.4 43.5 -58.0 -55.3 -20.8 17.9 -27.8 109 115 A A H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.876 112.8 53.8 -61.1 -38.9 -20.8 15.6 -30.9 110 116 A G H X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.805 106.2 53.7 -61.5 -34.2 -19.8 18.6 -33.0 111 117 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -1,-0.2 0.869 110.1 44.9 -72.0 -40.6 -16.8 19.2 -30.7 112 118 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.917 112.4 54.1 -68.9 -36.8 -15.5 15.7 -31.1 113 119 A E H X S+ 0 0 77 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.919 110.4 46.1 -59.2 -44.9 -16.2 16.1 -34.8 114 120 A Y H X S+ 0 0 46 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.930 115.7 44.6 -62.6 -50.9 -14.0 19.3 -34.8 115 121 A Y H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.626 106.5 61.7 -72.2 -13.4 -11.2 17.7 -32.7 116 122 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 3,-0.3 0.987 108.4 41.6 -72.7 -53.7 -11.3 14.5 -34.8 117 123 A G H X S+ 0 0 35 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.788 114.0 52.8 -58.9 -38.3 -10.4 16.4 -38.0 118 124 A L H X S+ 0 0 33 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.849 107.3 52.5 -67.6 -36.4 -7.8 18.5 -36.0 119 125 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 -3,-0.3 -53,-0.3 0.886 109.5 49.6 -67.2 -37.1 -6.2 15.1 -34.8 120 126 A E H >< S+ 0 0 82 -4,-1.8 3,-0.6 -55,-0.3 4,-0.5 0.923 113.4 45.1 -67.5 -39.7 -6.0 13.9 -38.4 121 127 A A H >X S+ 0 0 46 -4,-1.9 4,-1.5 1,-0.2 3,-0.5 0.741 99.6 73.4 -73.5 -25.2 -4.3 17.2 -39.4 122 128 A L H 3< S+ 0 0 8 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.820 87.8 60.8 -56.7 -39.0 -2.0 17.0 -36.3 123 129 A D T X< S+ 0 0 47 -4,-0.8 3,-0.8 -3,-0.6 4,-0.3 0.879 104.6 49.8 -56.9 -41.4 0.1 14.2 -37.9 124 130 A S G X4 S+ 0 0 95 -3,-0.5 3,-0.7 -4,-0.5 -2,-0.2 0.952 114.4 41.8 -61.7 -55.1 1.0 16.6 -40.8 125 131 A R G 3< S+ 0 0 79 -4,-1.5 -1,-0.2 1,-0.2 18,-0.2 0.235 83.9 102.0 -81.9 13.7 2.2 19.5 -38.6 126 132 A R G < S+ 0 0 131 -3,-0.8 17,-2.2 -4,-0.3 2,-0.4 0.851 89.6 38.2 -60.4 -39.7 4.0 17.1 -36.1 127 133 A M E < S+I 142 0C 100 -3,-0.7 -1,-0.2 -4,-0.3 15,-0.2 -0.977 73.7 179.6-116.2 120.6 7.3 18.2 -37.8 128 134 A T E -I 141 0C 50 13,-1.1 13,-2.0 -2,-0.4 2,-0.2 -0.904 18.4-145.3-127.5 102.7 7.5 21.9 -38.8 129 135 A P E -I 140 0C 99 0, 0.0 2,-0.5 0, 0.0 11,-0.3 -0.487 9.8-158.9 -72.1 134.4 10.8 23.0 -40.5 130 136 A V E -I 139 0C 69 9,-2.3 9,-0.5 -2,-0.2 2,-0.1 -0.981 16.9-129.7-114.6 117.7 11.9 26.6 -39.6 131 137 A N - 0 0 155 -2,-0.5 2,-0.3 7,-0.1 7,-0.1 -0.348 28.6-165.6 -65.3 145.9 14.3 28.2 -42.1 132 138 A L - 0 0 85 2,-0.2 2,-1.0 5,-0.2 -1,-0.0 -0.878 34.8-116.9-132.0 165.7 17.4 29.8 -40.7 133 139 A N S S+ 0 0 183 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.555 85.0 102.7 -97.4 60.7 20.2 32.1 -41.7 134 140 A S - 0 0 47 -2,-1.0 -2,-0.2 3,-0.2 0, 0.0 -0.991 52.5-170.6-146.2 141.0 22.7 29.3 -41.2 135 141 A D S S+ 0 0 164 -2,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.334 97.3 47.8-108.2 -0.1 24.6 26.9 -43.5 136 142 A S S S+ 0 0 40 1,-0.1 348,-4.0 349,-0.1 349,-0.5 0.581 104.2 62.4-113.8 -20.1 25.7 24.9 -40.4 137 143 A Y E - J 0 483C 97 346,-0.2 2,-0.4 347,-0.2 346,-0.2 -0.880 55.9-163.3-116.3 146.9 22.4 24.4 -38.4 138 144 A K E - J 0 482C 123 344,-2.7 344,-2.2 -2,-0.3 2,-0.4 -0.996 18.0-171.5-124.5 126.9 19.1 22.7 -39.3 139 145 A S E +IJ 130 481C 21 -9,-0.5 -9,-2.3 -2,-0.4 2,-0.3 -0.963 15.8 154.1-131.2 145.4 16.0 23.4 -37.3 140 146 A Y E -IJ 129 480C 65 340,-1.6 340,-2.7 -2,-0.4 2,-0.5 -0.958 36.0-117.5-151.9 163.6 12.4 22.2 -36.8 141 147 A V E -IJ 128 479C 35 -13,-2.0 -13,-1.1 -2,-0.3 2,-0.6 -0.938 21.3-153.5-111.8 116.6 9.6 22.2 -34.1 142 148 A L E -IJ 127 478C 37 336,-1.7 336,-2.6 -2,-0.5 2,-0.5 -0.842 6.2-160.3 -94.3 117.8 8.4 18.8 -32.8 143 149 A R E + J 0 477C 46 -17,-2.2 334,-0.2 -2,-0.6 332,-0.0 -0.830 23.4 160.6 -96.1 123.3 4.7 18.9 -31.5 144 150 A E E - J 0 476C 58 332,-2.1 332,-3.1 -2,-0.5 29,-0.1 -0.969 47.4 -74.6-141.4 158.1 3.9 15.9 -29.2 145 151 A P E - J 0 475C 54 0, 0.0 330,-0.2 0, 0.0 28,-0.1 -0.262 36.7-139.5 -56.7 135.2 1.4 14.9 -26.5 146 152 A L - 0 0 39 328,-1.9 2,-0.5 1,-0.2 329,-0.1 0.787 40.0-129.3 -67.6 -29.1 2.1 16.7 -23.2 147 153 A G + 0 0 8 327,-0.3 28,-1.9 329,-0.0 2,-0.5 -0.969 65.8 20.8 122.0-124.6 1.3 13.6 -21.1 148 154 A V E -c 175 0A 3 -2,-0.5 78,-2.4 26,-0.2 79,-1.1 -0.759 66.3-173.0 -92.3 124.5 -1.0 13.3 -18.1 149 155 A V E -cd 176 227A 0 26,-2.0 28,-2.0 -2,-0.5 2,-0.5 -0.955 17.4-143.3-124.0 137.3 -3.6 16.0 -17.8 150 156 A G E -cd 177 228A 0 77,-2.9 79,-3.0 -2,-0.4 2,-0.6 -0.879 12.5-162.4-101.4 124.1 -6.1 16.8 -15.1 151 157 A L E +cd 178 229A 0 26,-3.5 28,-3.4 -2,-0.5 2,-0.5 -0.832 9.7 179.3-116.2 95.0 -9.5 18.1 -16.2 152 158 A I E -cd 179 230A 13 77,-1.4 79,-1.7 -2,-0.6 26,-0.1 -0.847 17.4-178.3 -95.4 120.6 -11.6 19.8 -13.4 153 159 A T - 0 0 7 26,-2.4 2,-0.1 -2,-0.5 79,-0.1 -0.874 22.3-117.8-126.3 156.8 -15.0 21.0 -14.8 154 160 A P - 0 0 20 0, 0.0 3,-0.5 0, 0.0 7,-0.2 -0.484 21.4-123.5 -92.6 165.9 -18.3 23.0 -13.7 155 161 A W S S+ 0 0 23 1,-0.2 4,-0.1 -2,-0.1 77,-0.0 0.441 89.7 87.7 -78.1 -13.9 -22.0 21.8 -13.6 156 162 A N S S+ 0 0 8 1,-0.3 -1,-0.2 2,-0.1 131,-0.1 0.853 112.7 11.6 -60.4 -40.0 -23.5 24.5 -15.9 157 163 A Y S > S- 0 0 45 -3,-0.5 4,-2.9 1,-0.2 5,-0.5 -0.831 86.4-175.8-133.3 79.0 -22.9 22.5 -19.1 158 164 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.974 81.9 21.3 -49.5 -66.4 -22.0 19.2 -17.4 159 165 A L H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.934 126.8 53.5 -65.6 -47.5 -21.1 17.1 -20.5 160 166 A L H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 109.0 46.7 -57.6 -47.4 -20.3 20.2 -22.7 161 167 A M H < S+ 0 0 11 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.877 115.2 46.9 -63.2 -38.5 -17.9 21.9 -20.3 162 168 A A H >X S+ 0 0 0 -4,-1.4 3,-2.4 -5,-0.5 4,-2.3 0.973 109.1 54.6 -63.7 -50.7 -16.0 18.6 -19.8 163 169 A I H 3X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.777 93.6 69.3 -56.6 -29.6 -16.0 17.9 -23.6 164 170 A W H 3< S+ 0 0 21 -4,-1.7 302,-0.5 1,-0.2 -1,-0.3 0.692 116.6 26.3 -59.3 -20.7 -14.3 21.4 -24.3 165 171 A K H <> S+ 0 0 2 -3,-2.4 4,-2.3 -4,-0.3 -2,-0.2 0.708 120.1 54.5-111.9 -42.3 -11.2 19.8 -22.6 166 172 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.966 106.6 51.6 -62.5 -53.8 -11.8 16.0 -23.2 167 173 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.889 117.7 36.9 -53.6 -49.5 -12.1 16.4 -27.1 168 174 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.903 115.5 53.8 -72.7 -39.1 -8.8 18.4 -27.5 169 175 A A H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.9 0.962 115.2 40.5 -54.8 -53.2 -6.8 16.5 -24.8 170 176 A L H <5S+ 0 0 0 -4,-2.7 3,-0.4 3,-0.2 -1,-0.2 0.848 113.4 54.6 -64.4 -36.6 -7.6 13.2 -26.5 171 177 A A H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.923 108.8 48.8 -60.6 -44.1 -7.0 14.7 -30.0 172 178 A A H <5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.624 121.9-110.2 -68.7 -22.8 -3.5 15.9 -28.9 173 179 A G T <5 + 0 0 2 -4,-0.9 -3,-0.2 -3,-0.4 -2,-0.1 0.587 66.9 144.6 100.7 14.2 -2.8 12.4 -27.5 174 180 A C < - 0 0 0 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.2 -0.353 52.7-123.0 -78.2 161.3 -2.8 13.1 -23.8 175 181 A A E -c 148 0A 0 -28,-1.9 -26,-2.0 -2,-0.1 2,-0.3 -0.952 39.6-152.7-105.4 112.1 -4.1 10.6 -21.1 176 182 A A E -ce 149 205A 0 28,-2.7 30,-1.3 -2,-0.6 2,-0.5 -0.667 22.7-158.4 -97.3 151.5 -6.8 12.6 -19.2 177 183 A I E -ce 150 206A 0 -28,-2.0 -26,-3.5 -2,-0.3 2,-0.4 -0.932 21.3-159.9-124.5 95.3 -8.2 12.5 -15.7 178 184 A L E -ce 151 207A 0 28,-3.6 30,-3.7 -2,-0.5 -26,-0.2 -0.715 12.8-178.0 -82.5 125.6 -11.7 14.2 -15.8 179 185 A K E -c 152 0A 6 -28,-3.4 -26,-2.4 -2,-0.4 30,-0.2 -0.941 13.3-170.3-124.6 98.6 -13.1 15.4 -12.5 180 186 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 30,-0.1 -0.262 34.8 -74.3 -85.5 177.8 -16.7 16.9 -13.1 181 187 A S > - 0 0 17 3,-0.4 3,-2.0 1,-0.1 30,-0.1 -0.579 31.1-129.6 -78.6 137.0 -18.8 18.9 -10.6 182 188 A E T 3 S+ 0 0 57 28,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.350 107.9 60.9 -60.9 6.2 -20.5 17.0 -7.7 183 189 A L T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -159,-0.1 -158,-0.2 0.629 118.9 19.1-105.8 -22.1 -23.8 18.8 -8.8 184 190 A A S < S+ 0 0 1 -3,-2.0 -3,-0.4 1,-0.1 -1,-0.2 -0.580 71.4 128.5-156.4 83.1 -23.9 17.3 -12.3 185 191 A S > + 0 0 2 -3,-0.1 4,-2.1 -5,-0.1 5,-0.2 0.356 45.8 98.0-117.5 -4.3 -21.8 14.1 -13.0 186 192 A I H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.925 90.4 39.7 -51.5 -56.2 -24.5 11.8 -14.6 187 193 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.833 112.9 54.9 -67.8 -36.3 -23.5 12.5 -18.2 188 194 A C H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.885 110.2 46.7 -64.1 -38.8 -19.7 12.5 -17.5 189 195 A L H >X S+ 0 0 6 -4,-2.1 4,-1.0 1,-0.2 3,-0.8 0.895 110.1 53.5 -68.0 -39.9 -20.0 9.0 -16.0 190 196 A E H 3X S+ 0 0 19 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.765 99.0 63.0 -64.6 -28.7 -22.1 7.9 -19.0 191 197 A L H 3X S+ 0 0 1 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.867 98.7 56.8 -61.9 -34.7 -19.3 9.2 -21.2 192 198 A G H S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.5 0.853 110.9 46.1 -67.2 -35.6 -15.8 4.9 -24.0 196 202 A R H ><5S+ 0 0 99 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.958 113.2 51.6 -67.7 -49.0 -16.2 1.3 -22.9 197 203 A E H 3<5S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.645 115.3 40.5 -58.8 -27.4 -18.8 0.8 -25.8 198 204 A I H 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.416 112.0-120.2-102.3 -5.7 -16.3 2.3 -28.4 199 205 A G T <<5 - 0 0 47 -3,-1.1 -3,-0.2 -4,-0.5 3,-0.1 0.699 38.3-171.6 73.9 27.4 -13.4 0.4 -26.9 200 206 A L < - 0 0 7 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.185 38.5 -91.5 -50.6 130.1 -11.3 3.6 -26.0 201 207 A P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.171 52.6 -93.0 -51.0 138.2 -7.8 2.5 -24.9 202 208 A S T 3 S+ 0 0 38 1,-0.3 4,-0.1 -192,-0.2 -143,-0.0 -0.252 108.5 13.1 -56.7 135.2 -7.5 2.0 -21.1 203 209 A G T 3 S+ 0 0 1 2,-0.4 -1,-0.3 -3,-0.1 3,-0.2 0.280 93.7 109.2 80.4 -10.4 -6.3 5.0 -19.1 204 210 A A S < S+ 0 0 0 -3,-1.8 -28,-2.7 1,-0.3 2,-0.4 0.915 93.2 18.6 -59.3 -43.4 -6.8 7.3 -22.2 205 211 A L E S- e 0 176A 2 -4,-0.4 -194,-0.4 -30,-0.2 -2,-0.4 -0.998 71.1-176.9-132.0 127.0 -9.8 8.8 -20.3 206 212 A N E - e 0 177A 0 -30,-1.3 -28,-3.6 -2,-0.4 2,-0.5 -0.994 9.4-160.4-128.4 124.8 -10.3 8.5 -16.5 207 213 A I E -Be 8 178A 0 -199,-1.9 -199,-1.9 -2,-0.4 2,-0.5 -0.981 9.2-177.0-114.4 116.2 -13.5 10.0 -15.0 208 214 A L - 0 0 0 -30,-3.7 2,-0.1 -2,-0.5 -201,-0.1 -0.922 4.9-166.6-122.3 107.5 -13.5 10.7 -11.3 209 215 A T + 0 0 0 -2,-0.5 -170,-2.0 -30,-0.2 2,-0.2 -0.341 36.9 85.1 -85.0 167.4 -16.6 12.0 -9.6 210 216 A G S S- 0 0 0 -172,-0.3 -28,-0.3 -30,-0.1 -172,-0.1 -0.581 75.2 -27.6 129.9 174.0 -16.6 13.5 -6.1 211 217 A L >> - 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