==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JAN-99 1B8G . COMPND 2 MOLECULE: PROTEIN (1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHA . SOURCE 2 ORGANISM_SCIENTIFIC: MALUS X DOMESTICA; . AUTHOR G.CAPITANI,E.HOHENESTER,L.FENG,P.STORICI,J.F.KIRSCH,J.N.JANS . 846 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 6.7 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 . 2 0.2 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 . 51 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 2 0 2 2 2 0 4 1 2 5 5 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 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 0 PARALLEL BRIDGES PER LADDER . 3 5 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 0 2 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 3 A M 0 0 116 0, 0.0 2,-0.1 0, 0.0 643,-0.1 0.000 360.0 360.0 360.0 23.0 31.7 24.3 85.2 2 4 A L - 0 0 25 1,-0.2 547,-0.2 548,-0.1 549,-0.1 -0.276 360.0 -76.4-103.4-171.4 28.2 23.6 86.7 3 5 A S - 0 0 1 545,-2.2 3,-0.2 547,-0.2 -1,-0.2 -0.325 38.6-109.0 -83.8 169.7 25.2 25.8 87.4 4 6 A R S > S+ 0 0 193 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.917 121.1 55.5 -61.5 -43.7 24.7 28.1 90.4 5 7 A N T 3 S+ 0 0 47 542,-0.3 -1,-0.2 1,-0.3 543,-0.1 0.788 101.1 57.4 -59.4 -32.5 22.1 25.7 91.8 6 8 A A T 3 0 0 11 541,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.397 360.0 360.0 -81.5 4.1 24.7 22.8 91.6 7 9 A T < 0 0 134 -3,-1.8 -3,-0.1 -4,-0.1 -2,-0.1 -0.040 360.0 360.0-147.4 360.0 27.0 24.8 93.9 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 17 A S 0 0 153 0, 0.0 2,-2.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 30.7 23.0 24.8 107.2 10 18 A S + 0 0 102 1,-0.2 3,-0.0 2,-0.1 0, 0.0 -0.391 360.0 120.2 -69.1 77.8 24.9 22.5 109.4 11 19 A Y > + 0 0 87 -2,-2.0 3,-0.5 2,-0.1 4,-0.3 0.012 54.2 96.9-114.2 8.3 22.5 21.6 112.2 12 20 A F T 3> + 0 0 115 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.386 50.5 100.6 -79.4 -1.3 23.1 18.1 110.8 13 21 A L H 3> S+ 0 0 56 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.964 82.9 44.8 -47.6 -60.4 25.6 17.8 113.6 14 22 A G H <> S+ 0 0 1 -3,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.865 113.5 53.2 -54.1 -36.5 23.1 15.8 115.6 15 23 A W H > S+ 0 0 76 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.912 108.8 46.3 -67.4 -42.8 22.3 13.9 112.5 16 24 A Q H X S+ 0 0 104 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.921 110.2 53.3 -64.8 -47.0 25.9 12.9 111.7 17 25 A E H X S+ 0 0 28 -4,-2.4 4,-3.7 -5,-0.2 15,-0.2 0.849 108.2 51.7 -57.2 -38.6 26.6 11.8 115.3 18 26 A Y H < S+ 0 0 69 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.971 109.9 47.0 -62.7 -55.9 23.6 9.6 115.3 19 27 A E H < S+ 0 0 116 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.4 42.1 -51.3 -45.4 24.6 7.8 112.1 20 28 A K H < S+ 0 0 155 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.970 131.9 22.5 -67.1 -55.1 28.1 7.4 113.5 21 29 A N S < S+ 0 0 51 -4,-3.7 11,-2.5 -5,-0.2 -1,-0.2 -0.603 81.5 177.8-118.6 70.4 27.1 6.5 117.0 22 30 A P B -a 32 0A 48 0, 0.0 9,-0.2 0, 0.0 11,-0.2 -0.492 32.0-112.9 -74.3 137.4 23.5 5.1 116.9 23 31 A Y - 0 0 43 9,-2.4 2,-0.3 8,-0.2 6,-0.2 -0.353 34.3-167.4 -68.4 146.9 21.9 3.8 120.0 24 32 A H B > -B 28 0B 75 4,-2.4 4,-1.8 1,-0.1 7,-0.2 -0.937 28.5-137.9-146.9 127.7 21.2 0.1 120.3 25 33 A E T 4 S+ 0 0 98 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.804 103.9 18.7 -40.5 -44.9 19.2 -2.0 122.6 26 34 A V T 4 S+ 0 0 117 2,-0.1 3,-0.4 -3,-0.1 -1,-0.2 0.914 134.9 23.1 -98.8 -59.8 21.9 -4.6 122.8 27 35 A H T 4 S+ 0 0 141 1,-0.2 -2,-0.1 2,-0.1 3,-0.0 0.345 129.5 31.3 -98.7 8.2 25.3 -3.5 121.7 28 36 A N B >< +B 24 0B 56 -4,-1.8 3,-2.7 3,-0.1 -4,-2.4 -0.138 57.4 155.0-158.6 56.6 25.2 0.3 122.2 29 37 A T T 3 S+ 0 0 74 -3,-0.4 -6,-0.1 1,-0.3 -4,-0.1 0.567 82.1 52.0 -61.8 -11.4 22.9 1.1 125.0 30 38 A N T 3 S+ 0 0 108 -8,-0.1 -1,-0.3 -6,-0.1 -7,-0.1 0.273 87.5 118.2-108.5 10.4 24.8 4.4 125.4 31 39 A G S < S- 0 0 0 -3,-2.7 2,-0.2 -7,-0.2 -8,-0.2 -0.186 78.5 -79.4 -71.0 167.0 24.4 5.3 121.8 32 40 A I B -a 22 0A 6 -11,-2.5 -9,-2.4 -15,-0.2 2,-0.4 -0.497 42.6-138.5 -71.8 131.0 22.6 8.4 120.6 33 41 A I E -c 382 0C 3 348,-2.5 350,-3.0 -2,-0.2 2,-0.7 -0.782 16.8-126.4 -92.8 133.5 18.8 8.1 120.6 34 42 A Q E +c 383 0C 10 -2,-0.4 350,-0.1 348,-0.2 370,-0.1 -0.692 47.7 145.8 -85.4 112.6 17.0 9.6 117.6 35 43 A M + 0 0 2 348,-1.9 366,-2.5 -2,-0.7 350,-0.3 0.090 58.5 77.4-130.1 21.5 14.2 12.0 118.5 36 44 A G + 0 0 8 348,-0.2 2,-0.6 364,-0.2 348,-0.1 0.300 68.9 96.4-113.0 8.8 14.6 14.4 115.5 37 45 A L - 0 0 43 346,-0.2 2,-2.1 2,-0.1 367,-0.1 -0.878 63.2-148.8-106.3 111.8 12.9 12.3 112.8 38 46 A A + 0 0 12 -2,-0.6 2,-0.4 363,-0.1 314,-0.1 -0.476 48.5 133.8 -78.9 74.8 9.2 13.1 112.2 39 47 A E - 0 0 26 -2,-2.1 2,-0.8 312,-0.2 226,-0.1 -0.969 50.8-136.7-127.8 142.9 8.1 9.7 111.2 40 48 A N + 0 0 3 224,-0.4 364,-0.2 -2,-0.4 3,-0.2 -0.838 33.8 155.4-101.4 106.1 5.0 7.7 112.2 41 49 A Q + 0 0 78 362,-2.4 3,-0.5 -2,-0.8 -1,-0.1 0.216 47.9 101.2-109.3 12.8 5.8 4.0 112.9 42 50 A L S S+ 0 0 18 361,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.762 84.3 30.7 -71.3 -32.0 2.8 3.6 115.2 43 51 A C S >> S+ 0 0 0 -3,-0.2 4,-1.1 1,-0.1 3,-1.0 0.114 70.8 117.9-120.6 26.7 0.2 1.8 113.0 44 52 A F H 3> S+ 0 0 15 -3,-0.5 4,-2.8 1,-0.3 5,-0.2 0.775 73.9 65.7 -62.4 -23.6 2.1 -0.4 110.5 45 53 A D H 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.865 96.9 54.0 -66.5 -34.8 0.4 -3.4 112.1 46 54 A L H <> S+ 0 0 25 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.922 113.6 42.3 -64.1 -42.0 -3.0 -2.2 110.9 47 55 A L H X S+ 0 0 3 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.889 113.0 51.3 -71.7 -41.2 -1.7 -1.9 107.3 48 56 A E H X S+ 0 0 69 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.903 110.4 51.4 -62.7 -39.9 0.2 -5.2 107.4 49 57 A S H X S+ 0 0 67 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.949 110.2 47.4 -60.6 -51.3 -2.9 -6.9 108.6 50 58 A W H X S+ 0 0 7 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.888 108.9 54.7 -58.8 -40.7 -5.0 -5.5 105.8 51 59 A L H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 107.4 51.4 -60.7 -40.4 -2.4 -6.5 103.2 52 60 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.8 41.8 -64.5 -42.4 -2.6 -10.1 104.5 53 61 A K H < S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.639 121.9 43.6 -80.8 -12.4 -6.4 -10.3 104.2 54 62 A N >< + 0 0 40 -4,-1.4 3,-0.8 -5,-0.2 4,-0.4 -0.455 62.6 155.5-132.0 63.3 -6.3 -8.4 100.9 55 63 A P T 3 + 0 0 80 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.672 61.2 75.4 -62.0 -22.3 -3.5 -9.9 98.7 56 64 A E T > >S+ 0 0 90 1,-0.2 3,-1.5 2,-0.2 5,-1.2 0.849 83.9 64.8 -61.1 -39.9 -5.0 -8.9 95.3 57 65 A A G X 5S+ 0 0 7 -3,-0.8 3,-1.0 1,-0.3 4,-0.3 0.939 107.5 38.9 -49.1 -58.9 -4.2 -5.2 95.6 58 66 A A G 3 5S+ 0 0 19 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.386 103.8 75.5 -76.4 4.5 -0.4 -5.7 95.5 59 67 A A G < 5S- 0 0 31 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.230 107.3-113.1-102.0 15.9 -0.8 -8.4 92.9 60 68 A F T < 5S+ 0 0 8 -3,-1.0 7,-2.4 1,-0.2 8,-0.6 0.924 78.2 133.7 54.0 41.4 -1.5 -6.2 89.9 61 69 A K E < -D 66 0D 90 -5,-1.2 2,-0.4 -4,-0.3 5,-0.2 -0.984 40.9-174.9-129.0 137.1 -4.9 -7.9 90.0 62 70 A K E > S-D 65 0D 80 3,-2.7 3,-0.6 -2,-0.4 -5,-0.0 -0.897 81.8 -19.2-133.3 99.8 -8.4 -6.4 89.7 63 71 A N T 3 S- 0 0 146 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.944 127.5 -48.6 68.0 52.9 -11.1 -8.9 90.3 64 72 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.362 119.8 102.7 73.5 -7.1 -9.1 -12.1 89.7 65 73 A E E < S-D 62 0D 130 -3,-0.6 -3,-2.7 2,-0.0 2,-0.4 -0.799 74.7-111.2-110.3 154.3 -7.7 -10.7 86.4 66 74 A S E +D 61 0D 66 -2,-0.3 -5,-0.3 -5,-0.2 4,-0.1 -0.676 29.6 172.9 -87.0 129.6 -4.2 -9.2 85.8 67 75 A I > + 0 0 18 -7,-2.4 4,-2.5 -2,-0.4 5,-0.2 -0.003 43.3 118.5-120.6 25.3 -3.9 -5.5 85.1 68 76 A F H > S+ 0 0 1 -8,-0.6 4,-3.6 2,-0.2 5,-0.2 0.965 79.7 42.3 -54.4 -59.8 -0.1 -5.4 85.1 69 77 A A H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 113.1 54.6 -56.0 -41.8 0.3 -4.3 81.5 70 78 A E H > S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.910 115.8 38.0 -60.6 -41.9 -2.6 -1.8 82.0 71 79 A L H >< S+ 0 0 2 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.906 110.5 59.0 -76.3 -43.1 -0.8 -0.2 85.0 72 80 A A H 3< S+ 0 0 0 -4,-3.6 625,-2.7 1,-0.3 626,-0.4 0.852 112.1 43.1 -55.0 -32.4 2.7 -0.5 83.5 73 81 A L H 3< S+ 0 0 32 -4,-1.9 2,-0.8 -5,-0.2 -1,-0.3 0.677 86.0 110.8 -88.5 -18.0 1.4 1.6 80.6 74 82 A F << + 0 0 46 -4,-0.8 225,-0.2 -3,-0.7 6,-0.1 -0.419 24.5 140.7 -65.3 104.2 -0.5 4.1 82.7 75 83 A Q + 0 0 85 -2,-0.8 2,-0.2 4,-0.1 -1,-0.2 0.119 16.3 142.9-131.1 23.5 1.3 7.5 82.5 76 84 A D > - 0 0 73 1,-0.2 3,-1.6 2,-0.1 4,-0.0 -0.449 50.1-139.1 -64.6 128.7 -1.6 10.0 82.3 77 85 A Y T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -2,-0.2 31,-0.1 0.409 97.7 70.7 -73.3 8.9 -0.6 13.0 84.3 78 86 A H T 3 S- 0 0 91 1,-0.1 -1,-0.2 29,-0.1 30,-0.1 0.557 104.1-128.4 -96.4 -10.9 -4.2 13.2 85.7 79 87 A G < - 0 0 7 -3,-1.6 -1,-0.1 28,-0.1 -2,-0.1 0.098 38.0 -45.9 84.4 160.4 -3.6 10.2 87.8 80 88 A L > - 0 0 20 1,-0.2 4,-2.2 -6,-0.1 3,-0.3 -0.498 52.3-140.9 -62.8 122.8 -5.5 6.9 88.2 81 89 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.921 98.8 54.2 -53.8 -47.9 -9.1 7.9 88.5 82 90 A A H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 110.7 46.7 -54.4 -42.2 -9.9 5.2 91.2 83 91 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.905 109.2 52.3 -69.3 -42.6 -7.0 6.5 93.3 84 92 A K H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.789 111.4 49.4 -64.9 -26.8 -7.9 10.2 93.0 85 93 A K H X S+ 0 0 112 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.933 111.0 47.3 -75.6 -48.4 -11.5 9.2 94.1 86 94 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.876 113.4 51.2 -59.6 -36.5 -10.2 7.2 97.1 87 95 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.936 108.6 48.0 -65.9 -51.7 -7.9 10.1 98.0 88 96 A V H X S+ 0 0 7 -4,-1.8 4,-1.6 1,-0.2 13,-0.3 0.825 113.1 50.4 -60.8 -31.9 -10.6 12.8 97.9 89 97 A D H X S+ 0 0 43 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.934 110.2 49.0 -71.5 -46.1 -12.9 10.6 100.1 90 98 A F H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.872 110.0 51.8 -60.0 -38.5 -10.1 10.0 102.6 91 99 A M H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.883 111.2 47.8 -66.7 -37.9 -9.4 13.7 102.8 92 100 A A H <>S+ 0 0 6 -4,-1.6 5,-2.8 -5,-0.2 6,-0.4 0.955 110.2 51.7 -66.6 -48.8 -13.1 14.3 103.4 93 101 A E H ><5S+ 0 0 44 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.853 106.4 54.0 -56.5 -37.3 -13.2 11.7 106.1 94 102 A I H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.926 108.1 50.0 -63.0 -44.8 -10.3 13.2 107.9 95 103 A R T ><5S- 0 0 3 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.3 0.150 124.0-108.8 -79.1 21.4 -12.1 16.5 107.9 96 104 A G T < 5 - 0 0 45 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.843 62.6 -71.9 54.1 34.8 -15.2 14.6 109.3 97 105 A N T 3 - 0 0 66 -2,-0.4 3,-2.3 1,-0.1 4,-0.2 -0.728 16.1-144.6 -82.5 118.8 -13.5 17.5 93.5 103 111 A P G > S+ 0 0 38 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.756 97.9 61.7 -56.5 -23.6 -11.1 14.8 92.3 104 112 A N G 3 S+ 0 0 118 1,-0.2 -2,-0.0 3,-0.1 -20,-0.0 0.491 99.9 53.5 -82.2 -3.6 -10.4 16.9 89.1 105 113 A H G < S+ 0 0 28 -3,-2.3 174,-1.6 180,-0.0 2,-0.5 0.272 94.3 88.7-109.5 7.9 -9.0 19.7 91.2 106 114 A L E < -E 278 0E 0 -3,-0.9 2,-0.5 -4,-0.2 172,-0.2 -0.909 57.4-172.0-106.5 126.0 -6.6 17.3 92.9 107 115 A V E -E 277 0E 2 170,-2.5 170,-1.9 -2,-0.5 2,-0.1 -0.973 17.5-135.3-122.8 124.1 -3.2 16.7 91.2 108 116 A L E +E 276 0E 10 -2,-0.5 2,-0.3 168,-0.2 168,-0.3 -0.427 25.1 179.5 -74.1 146.2 -0.9 14.0 92.5 109 117 A T E -E 275 0E 0 166,-1.9 166,-2.8 -2,-0.1 2,-2.1 -0.914 45.0 -91.0-139.4 165.2 2.8 14.6 93.0 110 118 A A E > S-E 274 0E 0 185,-1.0 4,-0.5 610,-0.3 612,-0.4 -0.523 96.2 -42.2 -80.2 76.3 5.8 12.6 94.2 111 119 A G H > S- 0 0 0 -2,-2.1 4,-1.9 162,-0.5 164,-0.3 -0.093 75.3 -76.1 89.7 169.3 5.4 13.6 97.9 112 120 A A H > S+ 0 0 9 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.756 127.6 68.0 -73.8 -24.2 4.6 17.0 99.5 113 121 A T H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 106.0 40.1 -57.2 -43.9 8.2 17.9 98.8 114 122 A S H X S+ 0 0 5 -4,-0.5 4,-2.6 -3,-0.2 5,-0.2 0.922 115.3 51.0 -70.4 -48.9 7.2 17.9 95.1 115 123 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.883 106.8 56.4 -56.9 -42.1 3.8 19.6 95.7 116 124 A N H X S+ 0 0 7 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.959 113.3 38.4 -53.4 -58.6 5.5 22.3 97.7 117 125 A E H X S+ 0 0 1 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.893 113.0 54.6 -62.9 -44.8 7.9 23.3 94.9 118 126 A T H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.885 106.8 52.5 -58.4 -40.9 5.4 22.9 92.1 119 127 A F H X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.892 109.5 48.6 -63.0 -41.0 2.9 25.2 93.8 120 128 A I H X S+ 0 0 8 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.928 109.3 52.6 -65.0 -42.9 5.6 27.9 94.1 121 129 A F H < S+ 0 0 8 -4,-2.6 308,-0.3 1,-0.2 307,-0.2 0.864 113.6 45.5 -59.3 -36.1 6.5 27.4 90.4 122 130 A C H < S+ 0 0 0 -4,-2.0 304,-2.2 -5,-0.2 -1,-0.2 0.767 121.2 34.0 -79.5 -27.8 2.8 28.0 89.7 123 131 A L H < S+ 0 0 5 -4,-1.9 2,-0.4 302,-0.3 -2,-0.2 0.725 115.9 38.5-103.8 -22.6 2.2 31.0 91.9 124 132 A A < - 0 0 8 -4,-2.7 -1,-0.2 -5,-0.2 302,-0.2 -0.982 59.6-142.8-139.4 143.1 5.4 33.0 91.9 125 133 A D > - 0 0 17 -2,-0.4 3,-1.5 1,-0.2 23,-0.1 -0.521 52.2 -73.4 -89.7 162.1 8.1 34.1 89.5 126 134 A P T 3 S+ 0 0 94 0, 0.0 24,-0.3 0, 0.0 23,-0.2 -0.239 121.0 29.8 -55.4 140.9 11.8 34.3 90.7 127 135 A G T 3 S+ 0 0 45 22,-2.8 56,-0.6 1,-0.4 2,-0.2 0.481 97.4 106.7 88.0 0.0 12.4 37.4 92.9 128 136 A E E < -f 183 0E 21 -3,-1.5 23,-2.8 54,-0.2 -1,-0.4 -0.526 60.6-133.3-100.2 175.1 8.9 37.3 94.3 129 137 A A E -fg 184 151E 0 54,-3.3 56,-2.8 21,-0.2 57,-0.7 -0.928 14.5-153.2-139.0 161.7 8.1 36.2 97.8 130 138 A V E -fg 186 152E 7 21,-2.5 23,-2.5 -2,-0.3 2,-0.4 -0.964 24.0-129.3-127.9 141.3 5.9 34.1 100.0 131 139 A L E -fg 187 153E 0 55,-3.0 57,-3.3 -2,-0.3 21,-0.0 -0.799 25.4-175.7 -96.1 134.7 5.2 34.7 103.7 132 140 A I E - g 0 154E 2 21,-1.9 23,-2.4 -2,-0.4 57,-0.1 -0.992 26.7-118.1-132.6 129.3 5.7 31.9 106.2 133 141 A P E - g 0 155E 19 0, 0.0 23,-0.2 0, 0.0 57,-0.1 -0.421 46.6 -95.9 -66.3 139.8 4.9 31.9 109.9 134 142 A T S S+ 0 0 2 21,-3.1 23,-0.3 -2,-0.1 257,-0.1 -0.760 100.5 44.1 -97.9 140.1 7.9 31.3 112.1 135 143 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 61,-0.2 0.641 85.4 159.8 -81.6 156.1 9.0 28.8 113.4 136 144 A Y - 0 0 14 254,-2.5 256,-0.1 -2,-0.1 -2,-0.1 -0.892 48.9 -66.7-141.8 170.8 8.6 26.5 110.4 137 145 A Y > - 0 0 66 57,-0.6 3,-2.5 -2,-0.3 4,-0.3 -0.394 41.5-144.1 -55.3 110.5 9.6 23.3 108.7 138 146 A P T > S+ 0 0 54 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.729 94.5 73.6 -53.0 -23.2 13.3 23.8 107.8 139 147 A G T >> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 3,-1.6 0.745 80.4 72.6 -64.0 -22.3 12.8 21.9 104.6 140 148 A F H <> S+ 0 0 1 -3,-2.5 4,-2.0 1,-0.3 5,-0.4 0.813 83.6 67.8 -62.0 -31.0 10.9 24.8 103.2 141 149 A D H <4 S+ 0 0 53 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.687 114.2 28.3 -64.7 -17.3 14.1 26.7 102.8 142 150 A R H <> S+ 0 0 81 -3,-1.6 4,-2.1 -4,-0.2 3,-0.3 0.793 120.7 51.2-105.3 -50.7 15.1 24.2 100.1 143 151 A D H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -3,-0.2 0.888 117.2 36.2 -55.0 -49.7 11.7 23.2 98.7 144 152 A L T < S+ 0 0 0 -4,-2.0 6,-0.4 -5,-0.2 -1,-0.2 0.626 130.3 24.4 -84.9 -13.8 10.3 26.6 98.1 145 153 A K T > S+ 0 0 57 -5,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.699 93.5 83.5-123.9 -26.4 13.5 28.5 97.0 146 154 A W T < S+ 0 0 50 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.923 114.1 8.9 -46.6 -65.1 16.2 26.3 95.5 147 155 A R T 4 S+ 0 0 18 -5,-0.3 -1,-0.2 -4,-0.3 -4,-0.1 0.544 125.4 63.4 -97.4 -8.5 15.1 26.0 91.9 148 156 A T T 4 S- 0 0 5 2,-0.1 -2,-0.2 -5,-0.1 -1,-0.1 0.672 87.2-139.5 -90.4 -20.4 12.2 28.6 92.0 149 157 A G < + 0 0 41 -4,-1.6 -22,-2.8 1,-0.3 2,-0.2 0.627 57.1 139.7 69.4 9.2 14.3 31.7 92.8 150 158 A V - 0 0 4 -6,-0.4 2,-0.3 -24,-0.3 -1,-0.3 -0.561 45.3-133.0 -86.1 151.6 11.4 32.6 95.1 151 159 A E E -g 129 0E 55 -23,-2.8 -21,-2.5 -2,-0.2 2,-0.5 -0.764 3.0-139.3-109.2 151.8 12.1 34.2 98.5 152 160 A I E -g 130 0E 9 -2,-0.3 -21,-0.2 -23,-0.2 -23,-0.0 -0.932 13.6-169.9-109.0 126.2 10.7 33.5 102.0 153 161 A V E -g 131 0E 0 -23,-2.5 -21,-1.9 -2,-0.5 2,-0.1 -0.975 24.7-126.3-115.5 124.2 9.8 36.4 104.3 154 162 A P E -g 132 0E 29 0, 0.0 2,-0.7 0, 0.0 22,-0.1 -0.395 10.8-154.6 -76.4 144.4 9.0 35.4 107.9 155 163 A I E -g 133 0E 1 -23,-2.4 -21,-3.1 -2,-0.1 2,-0.2 -0.971 33.5-136.4-110.8 105.7 5.9 36.2 109.9 156 164 A H - 0 0 80 -2,-0.7 2,-0.3 13,-0.3 10,-0.2 -0.466 23.7-174.5 -76.8 137.9 7.3 36.0 113.4 157 165 A C - 0 0 7 -23,-0.3 236,-0.5 -2,-0.2 2,-0.3 -0.918 5.1-163.1-124.7 151.1 5.4 34.3 116.2 158 166 A T > > - 0 0 53 -2,-0.3 5,-2.1 6,-0.3 3,-1.1 -0.858 33.6-109.3-132.5 166.7 6.4 34.2 119.9 159 167 A S G > 5S+ 0 0 27 -2,-0.3 3,-2.4 1,-0.2 -1,-0.0 0.717 97.7 90.8 -70.2 -21.0 5.5 32.2 123.0 160 168 A S G 3 5S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.739 107.1 20.3 -45.4 -29.0 3.7 35.1 124.5 161 169 A N G X 5S- 0 0 60 -3,-1.1 3,-0.5 3,-0.1 -1,-0.3 -0.005 124.8 -86.3-133.7 32.1 0.5 33.8 122.8 162 170 A G T < 5S- 0 0 27 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.822 78.5 -69.5 68.8 30.8 1.4 30.2 122.1 163 171 A F T 3 - 0 0 50 -2,-0.3 4,-2.3 -10,-0.2 5,-0.2 -0.890 27.4-131.6-121.1 147.1 -1.2 37.8 114.7 167 175 A E H > S+ 0 0 132 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.861 113.9 51.0 -59.5 -36.6 -2.6 40.6 112.5 168 176 A T H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.834 108.5 49.8 -69.5 -37.7 0.4 42.7 113.5 169 177 A A H > S+ 0 0 13 2,-0.2 4,-2.0 3,-0.2 -13,-0.3 0.878 112.2 48.6 -70.0 -38.5 2.9 40.0 112.6 170 178 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.969 113.3 45.6 -64.5 -54.5 1.3 39.6 109.2 171 179 A E H X S+ 0 0 80 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.878 113.9 50.0 -56.6 -41.6 1.2 43.3 108.4 172 180 A E H X S+ 0 0 123 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.858 110.4 48.9 -67.3 -37.3 4.8 43.6 109.6 173 181 A A H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.917 110.4 51.4 -68.0 -43.9 6.0 40.7 107.4 174 182 A Y H X S+ 0 0 38 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.896 111.1 48.8 -58.9 -41.0 4.2 42.2 104.4 175 183 A Q H X S+ 0 0 95 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.828 105.7 56.3 -69.7 -33.0 6.0 45.5 105.1 176 184 A E H X S+ 0 0 69 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.846 108.1 50.0 -67.5 -31.4 9.4 43.8 105.4 177 185 A A H <>S+ 0 0 0 -4,-1.6 5,-2.7 2,-0.2 4,-0.3 0.920 109.1 49.7 -71.4 -45.6 8.8 42.4 102.0 178 186 A E H ><5S+ 0 0 114 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.913 107.2 55.8 -59.3 -43.2 7.9 45.8 100.5 179 187 A K H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.0 45.7 -56.1 -39.1 11.0 47.3 102.1 180 188 A R T 3<5S- 0 0 99 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.394 116.0-118.4 -86.0 2.9 13.1 44.6 100.3 181 189 A N T < 5 + 0 0 147 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.2 0.874 65.1 145.1 62.4 37.1 11.2 45.3 97.1 182 190 A L < - 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0 0 44 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.828 62.1 -72.4 54.0 34.1 27.4 -6.4 76.7 523 105 B N T 3 - 0 0 69 -2,-0.4 3,-2.4 1,-0.1 4,-0.2 -0.747 16.3-143.5 -83.8 118.9 29.4 2.6 90.0 529 111 B P G > S+ 0 0 40 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.750 98.0 62.9 -55.0 -24.5 26.0 2.5 91.8 530 112 B N G 3 S+ 0 0 114 1,-0.2 -2,-0.0 3,-0.0 174,-0.0 0.473 99.3 52.6 -81.5 -3.2 27.0 5.6 93.8 531 113 B H G < S+ 0 0 29 -3,-2.4 174,-1.7 180,-0.0 2,-0.5 0.254 94.3 89.2-110.8 8.3 27.2 7.7 90.7 532 114 B L E < -R 704 0K 1 -3,-1.0 2,-0.5 172,-0.2 172,-0.2 -0.916 56.6-172.4-107.0 125.4 23.7 6.6 89.7 533 115 B V E -R 703 0K 2 170,-2.5 170,-2.1 -2,-0.5 2,-0.1 -0.983 17.4-136.0-122.9 124.6 20.8 8.7 90.9 534 116 B L E +R 702 0K 11 -2,-0.5 2,-0.3 168,-0.2 168,-0.3 -0.441 24.4 179.9 -75.4 146.9 17.2 7.6 90.4 535 117 B T E -R 701 0K 0 166,-1.9 166,-3.0 -2,-0.1 2,-2.2 -0.920 45.5 -90.3-140.5 164.8 14.5 10.0 89.2 536 118 B A E S-R 700 0K 0 185,-1.0 4,-0.5 -242,-0.3 -240,-0.4 -0.500 96.6 -42.6 -79.2 74.7 10.8 9.7 88.4 537 119 B G S > S- 0 0 0 -2,-2.2 4,-1.9 162,-0.5 164,-0.3 -0.098 75.5 -75.0 90.1 169.4 11.4 8.9 84.7 538 120 B A H > S+ 0 0 9 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.776 127.5 67.7 -73.0 -25.8 13.8 10.3 82.1 539 121 B T H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 106.2 40.1 -56.3 -44.4 11.5 13.3 81.9 540 122 B S H > S+ 0 0 7 -4,-0.5 4,-2.7 -3,-0.2 5,-0.2 0.926 115.2 50.9 -70.1 -48.1 12.6 14.2 85.5 541 123 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.883 106.9 56.5 -57.2 -42.5 16.3 13.2 84.8 542 124 B N H X S+ 0 0 7 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.957 113.4 38.3 -53.6 -58.6 16.3 15.4 81.7 543 125 B E H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.892 113.0 54.8 -63.4 -44.0 15.2 18.5 83.6 544 126 B T H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.886 106.9 52.4 -59.2 -40.1 17.3 17.9 86.7 545 127 B F H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 109.2 48.8 -62.9 -42.3 20.5 17.5 84.6 546 128 B I H X S+ 0 0 8 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.922 109.2 52.9 -63.7 -43.2 19.8 20.9 83.0 547 129 B F H < S+ 0 0 7 -4,-2.6 -541,-0.3 1,-0.2 -542,-0.3 0.867 113.5 45.8 -59.3 -35.1 19.2 22.4 86.4 548 130 B C H < S+ 0 0 0 -4,-1.9 -545,-2.2 -5,-0.2 -1,-0.2 0.775 121.1 33.3 -80.1 -28.4 22.6 21.0 87.4 549 131 B L H < S+ 0 0 8 -4,-1.9 2,-0.4 -547,-0.2 -2,-0.2 0.730 115.9 38.9-103.3 -22.8 24.6 22.0 84.4 550 132 B A < - 0 0 8 -4,-2.7 -1,-0.2 -5,-0.2 -547,-0.2 -0.984 59.8-143.3-138.4 142.5 23.2 25.3 83.2 551 133 B D > - 0 0 22 -2,-0.4 3,-1.5 1,-0.2 23,-0.1 -0.503 52.1 -72.9 -90.1 164.3 21.8 28.6 84.6 552 134 B P T 3 S+ 0 0 93 0, 0.0 24,-0.3 0, 0.0 23,-0.2 -0.272 121.1 30.0 -57.6 141.0 18.9 30.4 82.9 553 135 B G T 3 S+ 0 0 45 22,-2.7 56,-0.6 1,-0.4 2,-0.2 0.469 97.6 106.5 88.6 -0.6 19.9 32.1 79.7 554 136 B E E < -s 609 0K 22 -3,-1.5 23,-2.8 54,-0.2 -1,-0.4 -0.538 60.5-133.3-100.7 175.0 22.6 29.6 78.9 555 137 B A E -st 610 577K 0 54,-3.5 56,-2.9 21,-0.2 57,-0.8 -0.917 14.4-152.7-138.8 162.5 22.1 27.0 76.2 556 138 B V E -st 612 578K 7 21,-2.5 23,-2.5 -2,-0.3 2,-0.4 -0.965 23.6-129.9-128.3 141.4 22.5 23.4 75.2 557 139 B L E -st 613 579K 0 55,-2.9 57,-3.2 -2,-0.4 21,-0.0 -0.803 25.2-176.2 -95.8 133.9 23.1 22.0 71.7 558 140 B I E - t 0 580K 3 21,-1.8 23,-2.1 -2,-0.4 57,-0.1 -0.992 27.1-117.7-133.4 127.9 20.8 19.3 70.4 559 141 B P E - t 0 581K 18 0, 0.0 23,-0.2 0, 0.0 57,-0.1 -0.393 46.8 -96.0 -64.5 138.0 21.0 17.4 67.0 560 142 B T S S+ 0 0 2 21,-3.1 23,-0.3 -2,-0.1 257,-0.1 -0.731 100.6 45.3 -96.8 139.9 18.0 17.9 64.8 561 143 B P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 61,-0.2 0.636 85.1 161.0 -81.3 153.7 15.5 16.2 64.4 562 144 B Y - 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