==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-09 3IWJ . COMPND 2 MOLECULE: PUTATIVE AMINOALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR D.KOPECNY,S.MORERA,P.BRIOZZO . 1000 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 76 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 2 0 2 0 2 1 5 4 2 0 4 2 0 0 0 0 0 0 0 1 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 8 6 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 . 4 2 6 0 2 0 0 0 2 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 . 2 0 0 0 0 0 2 0 2 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 4 A P 0 0 169 0, 0.0 32,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.2 -18.2 5.3 -29.2 2 5 A I - 0 0 32 31,-0.3 33,-0.1 1,-0.1 90,-0.0 -0.586 360.0-118.2 -69.5 120.3 -16.9 6.6 -25.9 3 6 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.198 16.0-139.8 -61.6 151.9 -19.6 6.0 -23.3 4 7 A T + 0 0 107 30,-0.1 2,-0.3 32,-0.0 32,-0.1 -0.978 33.7 166.1-114.2 125.3 -21.3 8.8 -21.4 5 8 A R - 0 0 57 -2,-0.5 2,-0.1 30,-0.4 3,-0.1 -0.882 29.8-136.4-136.8 162.6 -21.9 8.1 -17.7 6 9 A Q - 0 0 56 -2,-0.3 9,-0.2 1,-0.2 2,-0.1 -0.394 51.9 -67.7 -98.8-174.4 -22.8 9.6 -14.4 7 10 A L E -A 14 0A 0 7,-1.7 7,-2.3 -2,-0.1 2,-0.7 -0.408 48.4-125.6 -64.4 153.4 -21.2 9.0 -11.0 8 11 A F E +AB 13 210A 4 202,-2.8 202,-2.0 5,-0.2 2,-0.4 -0.929 45.0 156.7-108.1 109.8 -21.9 5.5 -9.7 9 12 A I E > -A 12 0A 6 3,-2.2 3,-1.8 -2,-0.7 200,-0.1 -0.997 59.8 -7.0-136.5 133.0 -23.5 5.8 -6.2 10 13 A N T 3 S- 0 0 79 -2,-0.4 -1,-0.1 1,-0.3 199,-0.1 0.847 127.6 -51.0 51.1 42.2 -25.7 3.4 -4.2 11 14 A G T 3 S+ 0 0 23 197,-0.4 2,-0.3 193,-0.2 -1,-0.3 0.433 122.7 66.9 85.3 2.2 -26.1 0.9 -7.1 12 15 A D E < S-A 9 0A 88 -3,-1.8 -3,-2.2 187,-0.0 2,-0.2 -0.953 87.6 -83.1-151.7 164.9 -27.2 3.3 -9.7 13 16 A W E +A 8 0A 58 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.501 45.9 177.1 -75.4 136.4 -26.1 6.3 -11.9 14 17 A K E -A 7 0A 83 -7,-2.3 -7,-1.7 -2,-0.2 3,-0.1 -0.982 26.6-122.3-148.9 127.6 -26.4 9.7 -10.3 15 18 A A - 0 0 32 -2,-0.3 -9,-0.1 -9,-0.2 5,-0.0 -0.326 40.5 -95.8 -64.3 145.5 -25.4 13.2 -11.5 16 19 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.342 34.2-121.4 -54.0 147.9 -22.9 15.3 -9.6 17 20 A V T 3 S+ 0 0 75 1,-0.3 -2,-0.1 23,-0.1 22,-0.1 0.897 116.9 36.9 -63.7 -40.4 -24.8 17.6 -7.2 18 21 A L T 3 S- 0 0 111 20,-0.2 -1,-0.3 2,-0.1 21,-0.0 0.197 106.6-134.9 -95.1 15.8 -23.2 20.7 -8.8 19 22 A N < + 0 0 94 -3,-1.2 -2,-0.1 1,-0.1 20,-0.1 0.558 46.8 156.6 38.3 24.5 -23.4 18.9 -12.2 20 23 A K - 0 0 82 18,-0.4 18,-2.2 17,-0.0 2,-0.3 -0.370 19.5-169.9 -69.8 153.0 -19.9 19.8 -13.3 21 24 A R E -H 37 0B 59 16,-0.3 192,-0.0 -2,-0.1 14,-0.0 -0.962 9.4-149.3-141.4 158.7 -18.1 17.7 -15.9 22 25 A I E -H 36 0B 25 14,-2.5 14,-2.5 -2,-0.3 191,-0.0 -0.959 26.8 -99.0-133.8 150.1 -14.5 17.5 -17.3 23 26 A P E -H 35 0B 76 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.176 18.0-139.9 -70.3 155.7 -13.1 16.6 -20.7 24 27 A V E -H 34 0B 6 10,-2.4 9,-2.7 163,-0.1 10,-0.6 -0.982 23.3-162.0-107.2 125.6 -11.7 13.3 -21.9 25 28 A I E -H 32 0B 63 -2,-0.5 7,-0.2 7,-0.2 3,-0.1 -0.897 17.5-135.5-109.3 138.5 -8.6 13.7 -24.1 26 29 A N >> - 0 0 19 5,-2.3 4,-3.5 -2,-0.4 3,-0.8 -0.854 13.3-156.9 -86.7 113.9 -7.2 11.2 -26.5 27 30 A P T 34 S+ 0 0 0 0, 0.0 343,-2.2 0, 0.0 -1,-0.1 0.777 90.3 56.7 -64.3 -26.8 -3.4 11.4 -25.9 28 31 A A T 34 S+ 0 0 7 341,-0.2 340,-0.1 67,-0.2 343,-0.1 0.769 126.4 16.0 -71.5 -29.6 -2.7 10.0 -29.4 29 32 A T T <4 S- 0 0 37 -3,-0.8 340,-0.2 2,-0.2 -1,-0.1 0.587 90.7-131.8-122.0 -20.7 -4.7 12.6 -31.3 30 33 A Q < + 0 0 57 -4,-3.5 2,-0.2 1,-0.3 306,-0.0 0.508 60.2 138.2 73.0 8.1 -5.1 15.4 -28.7 31 34 A N - 0 0 99 -5,-0.3 -5,-2.3 1,-0.0 2,-0.5 -0.554 62.4-115.7 -83.0 148.4 -8.9 15.6 -29.5 32 35 A I E +H 25 0B 115 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.748 36.8 177.0 -77.8 124.7 -11.6 16.0 -26.9 33 36 A I E - 0 0 45 -9,-2.7 2,-0.3 -2,-0.5 -31,-0.3 0.189 53.7 -49.5-120.4 12.6 -13.5 12.7 -27.2 34 37 A G E -H 24 0B 28 -10,-0.6 -10,-2.4 2,-0.0 2,-0.3 -0.962 60.0 -96.8 149.1-164.9 -16.2 13.0 -24.5 35 38 A D E -H 23 0B 61 -2,-0.3 -30,-0.4 -12,-0.3 -11,-0.0 -0.966 12.8-145.3-151.3 167.2 -16.5 13.9 -20.8 36 39 A I E -H 22 0B 3 -14,-2.5 -14,-2.5 -2,-0.3 -30,-0.1 -0.947 36.2 -94.7-133.6 149.5 -16.8 12.5 -17.3 37 40 A P E -H 21 0B 0 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.402 32.0-141.6 -67.3 144.0 -18.7 13.6 -14.2 38 41 A A - 0 0 1 -18,-2.2 -18,-0.4 175,-0.1 175,-0.3 -0.847 18.8-152.1-113.0 96.2 -16.7 15.8 -11.8 39 42 A A - 0 0 0 173,-2.8 175,-0.3 -2,-0.7 2,-0.3 -0.216 11.6-170.1 -71.2 151.5 -17.5 15.0 -8.2 40 43 A T >> - 0 0 14 178,-0.1 3,-2.0 173,-0.1 4,-1.8 -0.783 46.0 -78.0-128.3 174.4 -17.3 17.4 -5.2 41 44 A K H 3> S+ 0 0 119 1,-0.3 4,-3.3 -2,-0.3 5,-0.2 0.812 126.1 57.8 -39.3 -47.3 -17.5 17.0 -1.4 42 45 A E H 3> S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.760 107.0 48.1 -66.1 -24.6 -21.4 16.8 -1.5 43 46 A D H <> S+ 0 0 0 -3,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.864 110.6 51.0 -78.9 -39.5 -21.1 13.8 -3.8 44 47 A V H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.952 108.3 53.6 -57.6 -49.6 -18.5 12.2 -1.4 45 48 A D H X S+ 0 0 55 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.892 111.8 44.3 -49.4 -46.7 -20.9 12.9 1.4 46 49 A V H X S+ 0 0 57 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.915 115.5 47.5 -67.4 -43.8 -23.7 11.0 -0.4 47 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.892 112.2 49.6 -64.2 -42.3 -21.4 8.1 -1.5 48 51 A V H X S+ 0 0 0 -4,-3.5 4,-2.6 2,-0.2 -2,-0.2 0.962 111.4 47.7 -63.3 -51.7 -20.0 7.8 2.1 49 52 A A H X S+ 0 0 49 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.889 111.5 53.0 -53.8 -40.7 -23.5 7.7 3.7 50 53 A A H X S+ 0 0 7 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.895 109.0 48.3 -63.9 -40.9 -24.4 5.1 1.0 51 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.926 111.0 51.0 -63.5 -47.3 -21.4 2.9 1.9 52 55 A K H >X S+ 0 0 79 -4,-2.6 3,-1.7 1,-0.2 4,-1.4 0.962 111.1 46.8 -49.5 -62.0 -22.2 3.1 5.7 53 56 A T H 3X S+ 0 0 76 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.850 106.9 60.3 -51.2 -40.1 -25.9 2.1 5.1 54 57 A A H 3< S+ 0 0 4 -4,-1.8 10,-0.4 1,-0.2 -1,-0.3 0.757 105.3 47.3 -62.2 -28.4 -24.6 -0.7 2.9 55 58 A L H << S+ 0 0 27 -3,-1.7 -1,-0.2 -4,-1.0 -2,-0.2 0.810 119.9 36.4 -83.5 -31.8 -22.6 -2.3 5.7 56 59 A T H >X S+ 0 0 84 -4,-1.4 3,-1.2 -3,-0.2 4,-0.7 0.767 86.6 118.0 -92.7 -30.6 -25.4 -2.1 8.3 57 60 A R G ><>S+ 0 0 55 -4,-2.9 3,-1.5 1,-0.3 5,-0.5 -0.032 90.0 0.9 -43.8 135.7 -28.4 -2.9 6.1 58 61 A N G >45S- 0 0 102 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.827 133.0 -62.1 46.9 39.8 -30.3 -6.1 7.0 59 62 A K G <45S- 0 0 191 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.834 91.9 -65.7 56.7 36.5 -27.8 -6.6 9.9 60 63 A G G <<>S+ 0 0 1 -3,-1.5 5,-3.4 -4,-0.7 6,-1.1 0.501 102.0 133.9 69.4 6.8 -25.0 -6.8 7.3 61 64 A A T < 5 + 0 0 59 -3,-1.7 6,-0.2 -4,-0.3 -3,-0.1 0.703 65.8 49.3 -64.8 -28.0 -26.5 -10.1 6.0 62 65 A D T > - 0 0 50 -6,-0.2 4,-1.2 1,-0.1 3,-0.7 -0.293 31.6-113.5 -73.2 164.5 -20.0 -15.5 4.4 68 71 A G H 3> S+ 0 0 0 1,-0.2 4,-2.4 55,-0.2 55,-0.3 0.829 114.1 63.1 -67.3 -33.4 -16.9 -15.1 2.1 69 72 A A H 3> S+ 0 0 33 54,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.721 101.2 53.7 -64.9 -22.8 -18.3 -17.6 -0.4 70 73 A V H <> S+ 0 0 37 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.916 110.7 43.4 -75.5 -48.4 -21.2 -15.2 -1.0 71 74 A R H X S+ 0 0 12 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.848 108.6 61.9 -63.2 -35.6 -19.0 -12.3 -1.8 72 75 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.901 99.4 53.2 -54.6 -46.8 -16.8 -14.7 -3.9 73 76 A R H X S+ 0 0 164 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.884 109.1 49.3 -60.5 -39.8 -19.7 -15.4 -6.2 74 77 A Y H X S+ 0 0 64 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.891 112.7 48.1 -62.4 -40.7 -20.1 -11.6 -6.8 75 78 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.883 111.1 48.8 -69.9 -40.9 -16.4 -11.3 -7.5 76 79 A R H X S+ 0 0 83 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.853 110.5 52.6 -63.9 -36.0 -16.4 -14.3 -9.9 77 80 A A H X S+ 0 0 36 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.838 109.3 48.4 -70.3 -35.9 -19.4 -12.7 -11.7 78 81 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.927 110.6 52.4 -66.3 -43.5 -17.5 -9.4 -12.0 79 82 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.887 108.8 49.5 -59.5 -40.8 -14.5 -11.4 -13.4 80 83 A A H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.904 110.6 50.3 -66.8 -41.2 -16.7 -13.1 -16.0 81 84 A K H X S+ 0 0 50 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.899 108.3 51.5 -62.2 -45.5 -18.2 -9.8 -17.2 82 85 A V H < S+ 0 0 0 -4,-2.4 7,-0.2 2,-0.2 -1,-0.2 0.940 112.1 47.6 -56.5 -48.7 -14.8 -8.1 -17.5 83 86 A T H >< S+ 0 0 72 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.910 110.4 52.2 -57.2 -46.7 -13.7 -11.1 -19.6 84 87 A E H 3< S+ 0 0 125 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.889 116.3 39.6 -56.1 -42.5 -16.9 -10.9 -21.7 85 88 A K T 3X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.176 81.5 120.8 -95.7 17.0 -16.3 -7.2 -22.4 86 89 A K H <> S+ 0 0 58 -3,-1.4 4,-3.1 1,-0.2 5,-0.3 0.893 70.2 51.0 -49.0 -53.3 -12.5 -7.5 -22.9 87 90 A P H > S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.898 116.8 40.1 -57.3 -41.6 -12.3 -6.2 -26.5 88 91 A E H > S+ 0 0 107 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.875 117.0 49.5 -72.5 -38.0 -14.3 -3.0 -25.7 89 92 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 -7,-0.2 -3,-0.2 0.947 111.0 48.2 -69.1 -48.5 -12.6 -2.5 -22.3 90 93 A A H X S+ 0 0 4 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.886 113.1 49.0 -54.9 -43.8 -9.0 -2.9 -23.7 91 94 A K H X S+ 0 0 111 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.894 110.8 50.3 -65.8 -40.7 -9.8 -0.5 -26.5 92 95 A L H X S+ 0 0 18 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.874 109.4 51.8 -61.8 -40.0 -11.3 2.0 -24.0 93 96 A E H X>S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.5 0.948 110.4 47.9 -61.8 -50.1 -8.2 1.8 -21.9 94 97 A S H X5S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.843 114.1 45.6 -58.8 -40.1 -5.9 2.5 -24.8 95 98 A I H <5S+ 0 0 26 -4,-1.9 -1,-0.2 2,-0.2 -67,-0.2 0.827 118.0 45.2 -72.8 -32.6 -7.9 5.5 -26.0 96 99 A D H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -71,-0.2 0.911 131.1 14.9 -79.8 -47.1 -8.1 6.8 -22.4 97 100 A C H <5S- 0 0 3 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.556 95.6-120.9-114.7 -12.4 -4.5 6.4 -21.2 98 101 A G << + 0 0 0 -4,-1.4 -4,-0.2 -5,-0.5 -3,-0.1 0.440 56.7 144.9 92.8 1.7 -2.5 5.8 -24.3 99 102 A K - 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0 0 107 -2,-0.5 7,-0.1 820,-0.1 820,-0.1 -0.656 28.9-158.0 -84.8 119.8 -2.9 -19.9 22.6 135 138 A L - 0 0 29 -2,-0.6 5,-0.0 5,-0.2 -1,-0.0 -0.720 24.0-137.6-104.2 144.2 -2.8 -18.7 26.2 136 139 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.204 89.6 65.8 -82.3 18.9 -0.3 -19.5 29.1 137 140 A M > - 0 0 99 3,-0.2 3,-0.9 1,-0.1 -2,-0.1 -0.995 66.5-151.9-142.9 133.0 -3.3 -19.7 31.5 138 141 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 348,-0.0 0.499 92.6 72.4 -80.9 -2.9 -6.2 -22.2 31.6 139 142 A T T 3 S+ 0 0 37 346,-0.1 347,-2.3 348,-0.0 348,-0.8 0.546 99.2 47.3 -89.4 -9.6 -8.4 -19.5 33.3 140 143 A F E < - J 0 485C 10 -3,-0.9 2,-0.3 345,-0.2 345,-0.2 -0.945 62.2-162.4-128.3 153.0 -8.7 -17.5 30.0 141 144 A K E - J 0 484C 85 343,-2.1 343,-3.4 -2,-0.3 2,-0.3 -0.973 15.3-173.1-127.8 146.2 -9.5 -18.4 26.4 142 145 A S E +IJ 133 483C 0 -9,-0.6 -9,-2.8 -2,-0.3 2,-0.3 -0.997 10.4 165.6-143.1 146.7 -8.8 -16.1 23.4 143 146 A H E -IJ 132 482C 34 339,-2.1 339,-2.7 -2,-0.3 2,-0.4 -0.937 27.8-118.3-147.5 174.9 -9.4 -15.9 19.7 144 147 A V E -IJ 131 481C 2 -13,-2.1 -13,-1.0 -2,-0.3 -14,-0.5 -0.926 15.4-160.0-118.9 136.9 -9.3 -13.4 16.8 145 148 A L E - 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0 0 7 26,-1.5 2,-0.1 -2,-0.5 79,-0.1 -0.737 21.2-121.5-127.3 159.2 -5.9 5.4 -7.8 157 160 A P - 0 0 17 0, 0.0 3,-0.3 0, 0.0 27,-0.2 -0.360 23.8-116.3 -97.1 178.5 -3.7 6.6 -10.8 158 161 A W S S+ 0 0 29 1,-0.2 4,-0.1 -2,-0.1 77,-0.0 0.526 90.0 85.7 -93.3 -11.2 -4.0 6.6 -14.6 159 162 A N S S+ 0 0 5 1,-0.3 -1,-0.2 2,-0.1 130,-0.1 0.761 113.7 14.4 -72.6 -24.2 -1.1 4.3 -15.8 160 163 A Y S > S- 0 0 20 -3,-0.3 4,-2.6 1,-0.1 5,-0.4 -0.676 83.3-180.0-138.9 81.7 -3.2 1.2 -15.3 161 164 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.942 77.3 25.0 -55.5 -61.8 -6.7 2.6 -14.9 162 165 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 123.6 52.0 -71.5 -41.3 -8.8 -0.5 -14.4 163 166 A L H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 109.8 48.0 -64.0 -40.7 -6.1 -2.7 -13.0 164 167 A M H X S+ 0 0 10 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.848 112.2 50.1 -70.7 -35.6 -5.0 -0.2 -10.3 165 168 A A H >X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.4 3,-0.8 0.927 111.8 49.5 -62.2 -44.4 -8.6 0.2 -9.3 166 169 A T H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 97.9 65.1 -65.7 -44.2 -9.0 -3.6 -9.1 167 170 A W H 3< S+ 0 0 19 -4,-2.4 301,-0.4 1,-0.2 -1,-0.2 0.768 118.0 29.4 -47.1 -32.2 -5.9 -4.2 -7.0 168 171 A K H S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.905 115.4 54.5 -69.3 -38.5 -9.6 -7.3 -1.8 172 175 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 -2,-0.2 0.880 113.5 40.9 -59.9 -43.1 -11.7 -4.6 -0.2 173 176 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.888 111.6 56.0 -73.4 -39.7 -14.9 -6.3 -1.4 174 177 A A H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.812 105.8 53.9 -58.0 -30.0 -13.5 -9.7 -0.6 175 178 A A T 3<5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.452 121.5-108.8 -86.1 -2.8 -13.1 -8.5 2.9 176 179 A G T < 5S+ 0 0 0 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.655 72.6 138.4 85.0 17.0 -16.7 -7.4 3.2 177 180 A C < - 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