==== 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 TRANSFERASE 23-OCT-09 3KE3 . COMPND 2 MOLECULE: PUTATIVE SERINE-PYRUVATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSYCHROBACTER ARCTICUS 273-4; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 1 0.3 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 1 0 0 1 0 0 1 2 2 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 3 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 D 0 0 135 0, 0.0 16,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.1 -8.8 64.6 32.0 2 8 A I - 0 0 47 14,-0.2 15,-0.1 1,-0.1 17,-0.1 0.913 360.0 -6.9 -87.4 -51.0 -9.6 60.9 31.5 3 9 A D S > S+ 0 0 42 13,-0.2 3,-2.6 1,-0.1 -1,-0.1 -0.380 71.8 170.2-146.3 60.1 -13.2 60.4 30.4 4 10 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.666 77.9 42.4 -57.1 -27.9 -14.6 64.0 30.7 5 11 A N T 3 S+ 0 0 165 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.367 103.8 95.6 -96.1 4.0 -18.0 63.2 29.0 6 12 A G S < S- 0 0 37 -3,-2.6 2,-0.1 1,-0.2 -3,-0.1 0.035 78.3 -75.9 -89.7-168.2 -18.5 59.9 30.8 7 13 A L - 0 0 164 1,-0.1 2,-0.2 0, 0.0 -1,-0.2 -0.457 50.9 -91.4 -87.9 155.9 -20.2 58.5 33.8 8 14 A L - 0 0 148 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.513 51.9-111.7 -62.8 133.1 -19.2 58.8 37.5 9 15 A E + 0 0 50 -2,-0.2 7,-0.2 1,-0.1 -1,-0.1 -0.596 62.2 138.2 -81.7 106.7 -17.1 55.8 38.2 10 16 A Y + 0 0 205 -2,-0.9 2,-0.2 5,-0.1 -1,-0.1 -0.117 36.5 121.1-131.6 32.7 -18.8 53.3 40.6 11 17 A S - 0 0 33 3,-0.2 3,-0.4 1,-0.1 -2,-0.0 -0.594 69.3-123.4 -92.7 165.7 -17.8 50.0 38.9 12 18 A V S S+ 0 0 152 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.403 103.3 58.2 -85.5 2.2 -15.8 47.3 40.5 13 19 A V S S+ 0 0 44 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.545 106.1 22.1-112.6 -11.8 -13.1 47.4 37.8 14 20 A Y - 0 0 29 -3,-0.4 2,-0.2 6,-0.0 -3,-0.2 -0.963 54.4-138.7-152.6 162.7 -11.7 50.9 37.8 15 21 A T > - 0 0 87 -2,-0.3 3,-1.5 -5,-0.1 -5,-0.1 -0.629 50.3 -90.6-108.5 179.2 -11.2 54.2 39.7 16 22 A D T 3 S+ 0 0 118 1,-0.3 -14,-0.2 -2,-0.2 -13,-0.2 0.536 120.0 71.4 -72.8 -4.4 -11.6 57.7 38.2 17 23 A R T 3 S+ 0 0 195 -15,-0.1 2,-0.3 -16,-0.1 -1,-0.3 0.544 95.9 54.9 -84.4 -10.6 -7.9 57.6 37.3 18 24 A A S < S- 0 0 26 -3,-1.5 2,-0.4 -15,-0.0 -16,-0.1 -0.941 89.2-104.6-128.4 150.4 -8.2 55.0 34.5 19 25 A L - 0 0 0 -2,-0.3 2,-0.3 1,-0.1 229,-0.2 -0.547 38.6-127.9 -74.6 122.9 -10.4 54.7 31.3 20 26 A N > - 0 0 13 -2,-0.4 3,-1.6 1,-0.1 6,-0.5 -0.596 4.8-138.4 -75.0 133.9 -13.2 52.2 31.9 21 27 A H T 3 S+ 0 0 8 -2,-0.3 220,-0.1 1,-0.3 -1,-0.1 0.626 104.2 56.0 -68.0 -15.8 -13.5 49.5 29.2 22 28 A X T 3 S+ 0 0 71 218,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.510 86.1 107.9 -91.5 -6.7 -17.3 49.9 29.3 23 29 A S S <> S- 0 0 16 -3,-1.6 4,-1.9 1,-0.1 5,-0.1 -0.332 79.4-121.9 -71.3 153.8 -17.1 53.6 28.5 24 30 A K H > S+ 0 0 181 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 113.7 59.6 -56.9 -43.1 -18.2 55.0 25.1 25 31 A A H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 107.8 43.0 -55.2 -46.0 -14.6 56.5 24.8 26 32 A F H > S+ 0 0 0 -6,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.845 108.3 59.0 -71.3 -31.9 -13.0 53.0 25.1 27 33 A Q H X S+ 0 0 34 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 108.2 46.6 -56.8 -45.7 -15.5 51.5 22.7 28 34 A E H X S+ 0 0 119 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.900 110.1 53.2 -65.4 -40.9 -14.3 54.0 20.1 29 35 A V H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.922 110.8 46.9 -57.0 -44.8 -10.7 53.3 20.9 30 36 A X H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.925 111.5 50.1 -68.9 -41.0 -11.2 49.6 20.4 31 37 A N H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.905 112.1 47.4 -65.2 -40.3 -13.1 50.1 17.2 32 38 A D H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.862 114.2 48.7 -62.9 -39.0 -10.3 52.4 15.8 33 39 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.952 113.6 44.3 -67.2 -48.9 -7.7 49.9 16.8 34 40 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.927 116.2 45.4 -66.5 -44.4 -9.3 46.9 15.3 35 41 A S H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.918 115.7 46.0 -67.5 -41.0 -10.3 48.5 12.0 36 42 A N H X S+ 0 0 10 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.885 113.0 49.8 -69.1 -40.0 -6.8 50.2 11.5 37 43 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 6,-0.3 0.862 111.5 48.5 -64.2 -40.4 -4.9 47.0 12.4 38 44 A K H X>S+ 0 0 54 -4,-1.9 5,-1.6 -5,-0.2 4,-1.2 0.915 113.9 47.1 -65.9 -43.6 -7.0 44.9 10.0 39 45 A T H <5S+ 0 0 110 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.954 112.1 48.6 -62.3 -50.4 -6.5 47.5 7.2 40 46 A V H <5S+ 0 0 21 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 125.2 28.9 -59.3 -43.8 -2.7 47.8 7.7 41 47 A Y H <5S- 0 0 5 -4,-1.9 137,-2.8 -5,-0.2 -1,-0.2 0.476 104.0-122.3 -95.3 -2.9 -2.1 44.1 7.8 42 48 A N T <5 + 0 0 52 -4,-1.2 137,-0.2 -3,-0.4 2,-0.2 0.917 58.1 160.0 56.9 46.0 -5.0 43.0 5.5 43 49 A A < - 0 0 9 -5,-1.6 163,-0.2 -6,-0.3 -1,-0.2 -0.633 48.9-143.0 -98.2 157.3 -6.3 40.8 8.4 44 50 A E S S+ 0 0 100 161,-2.2 2,-0.3 1,-0.2 162,-0.2 0.786 88.8 14.0 -86.3 -32.6 -9.8 39.4 9.0 45 51 A A E -A 205 0A 4 160,-1.6 160,-2.4 -8,-0.1 2,-0.4 -0.971 61.1-155.3-140.7 155.8 -9.5 39.8 12.8 46 52 A A E -A 204 0A 0 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.996 13.2-166.2-131.0 126.7 -7.2 41.6 15.2 47 53 A V E -A 203 0A 1 156,-2.5 156,-3.6 -2,-0.4 2,-0.5 -0.993 7.2-155.9-119.9 131.9 -6.9 40.4 18.8 48 54 A I E -A 202 0A 0 -2,-0.4 154,-0.2 180,-0.2 184,-0.1 -0.928 10.4-170.6-107.2 117.7 -5.3 42.4 21.6 49 55 A I E -A 201 0A 0 152,-2.9 152,-3.0 -2,-0.5 7,-0.2 -0.959 26.9-119.3-114.7 113.7 -4.0 40.2 24.5 50 56 A P E S+A 200 0A 28 0, 0.0 2,-0.4 0, 0.0 150,-0.3 -0.286 84.9 45.1 -52.8 142.1 -2.9 42.1 27.6 51 57 A G S S- 0 0 29 148,-2.6 2,-0.3 4,-0.0 3,-0.0 -0.920 100.9 -55.6 131.1-106.0 0.8 41.6 28.4 52 58 A S > - 0 0 25 -2,-0.4 4,-1.4 147,-0.1 149,-0.4 -0.923 58.2 -76.1-160.2-179.3 3.4 41.9 25.7 53 59 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 147,-0.2 3,-0.2 0.881 126.1 58.2 -55.7 -42.6 4.4 40.5 22.3 54 60 A T H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 102.5 53.4 -56.1 -41.7 5.7 37.3 24.0 55 61 A Y H > S+ 0 0 115 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.854 106.5 52.4 -65.4 -35.7 2.2 36.7 25.5 56 62 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.905 108.9 50.8 -61.1 -42.1 0.7 36.9 22.0 57 63 A X H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.939 112.6 46.3 -60.2 -47.3 3.2 34.3 20.9 58 64 A E H X S+ 0 0 41 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.884 109.5 52.4 -66.7 -39.4 2.2 32.1 23.7 59 65 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 166,-0.4 0.948 111.4 48.0 -58.6 -49.4 -1.6 32.5 23.2 60 66 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.937 113.9 46.8 -54.2 -51.3 -1.1 31.5 19.5 61 67 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.879 113.3 48.2 -60.0 -45.5 1.0 28.4 20.4 62 68 A R H < S+ 0 0 45 -4,-2.6 157,-0.6 -5,-0.2 -1,-0.2 0.746 116.4 42.8 -71.7 -24.4 -1.4 27.3 23.1 63 69 A Q H < S+ 0 0 2 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.872 126.2 27.9 -82.9 -39.5 -4.5 27.7 20.9 64 70 A L H < S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.425 115.4 52.1-111.1 -2.0 -3.1 26.1 17.7 65 71 A T >< + 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 2,-0.5 0.257 60.1 136.3-123.4 11.8 -0.4 23.6 18.6 66 72 A I T 3 S- 0 0 52 1,-0.3 26,-0.2 -4,-0.2 3,-0.1 -0.474 94.9 -12.7 -65.7 113.4 -2.0 21.3 21.2 67 73 A D T 3 S+ 0 0 115 24,-2.5 2,-0.3 -2,-0.5 -1,-0.3 0.749 112.1 128.4 61.4 30.5 -0.8 17.8 20.0 68 74 A E < - 0 0 56 -3,-1.9 26,-1.6 23,-0.1 25,-1.5 -0.795 61.5-123.9-112.5 154.5 0.4 19.2 16.7 69 75 A D E -b 94 0A 30 -2,-0.3 61,-2.0 24,-0.3 62,-1.0 -0.824 37.4-176.1 -89.4 132.0 3.6 18.9 14.9 70 76 A C E -bc 95 131A 0 24,-2.0 26,-2.6 -2,-0.5 2,-0.4 -0.891 20.5-141.9-130.3 162.4 5.1 22.3 14.1 71 77 A L E -bc 96 132A 0 60,-2.2 62,-2.8 -2,-0.3 2,-0.4 -0.976 14.4-161.9-122.8 138.0 8.1 23.7 12.2 72 78 A I E -bc 97 133A 0 24,-3.1 26,-2.8 -2,-0.4 2,-0.9 -0.984 14.9-147.7-124.7 129.5 10.1 26.7 13.4 73 79 A I E -b 98 0A 0 60,-2.8 2,-0.7 -2,-0.4 26,-0.2 -0.862 24.9-161.5 -91.4 105.5 12.5 28.8 11.4 74 80 A R E +b 99 0A 27 24,-2.1 26,-1.7 -2,-0.9 41,-0.1 -0.848 28.5 157.0 -99.9 112.4 15.0 29.8 14.0 75 81 A N - 0 0 0 -2,-0.7 2,-0.3 1,-0.2 68,-0.1 0.385 67.6 -38.2-110.1 -1.0 17.1 32.8 13.1 76 82 A G S >> S- 0 0 0 255,-0.1 4,-2.0 256,-0.1 3,-1.5 -0.980 90.2 -39.2 164.4-164.4 18.1 33.9 16.6 77 83 A W H 3> S+ 0 0 63 253,-0.6 4,-1.1 -2,-0.3 254,-0.1 0.805 124.3 53.1 -62.6 -36.3 17.0 34.2 20.2 78 84 A F H 34 S+ 0 0 31 2,-0.2 -1,-0.3 1,-0.2 253,-0.0 0.489 112.2 44.1 -83.7 -4.7 13.5 35.5 19.6 79 85 A S H X> S+ 0 0 0 -3,-1.5 3,-0.9 252,-0.2 4,-0.7 0.562 106.3 60.4-105.5 -23.8 12.6 32.5 17.3 80 86 A Y H >X S+ 0 0 30 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.807 90.4 75.2 -56.2 -34.9 14.3 30.2 19.8 81 87 A R H 3X S+ 0 0 58 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.788 86.2 58.6 -47.7 -33.6 11.6 31.7 22.0 82 88 A W H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.936 107.4 46.9 -63.5 -44.8 9.1 29.5 20.1 83 89 A T H > - 0 0 78 1,-0.1 4,-2.0 -3,-0.1 3,-0.7 -0.243 31.7-122.1 -66.5 144.4 17.4 28.1 2.3 117 123 A I H 3> S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.837 108.2 58.7 -58.3 -38.9 13.8 28.3 1.1 118 124 A E H 3> S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 110.7 44.0 -54.3 -44.6 13.9 25.0 -1.0 119 125 A T H <> S+ 0 0 69 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.861 113.0 50.7 -70.6 -38.0 14.9 23.0 2.2 120 126 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 112.9 46.8 -62.2 -47.0 12.3 24.8 4.4 121 127 A V H X S+ 0 0 31 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.927 112.7 48.2 -62.5 -48.5 9.6 24.0 1.8 122 128 A A H X S+ 0 0 60 -4,-2.5 4,-1.8 -5,-0.2 3,-0.3 0.934 111.8 50.1 -58.5 -45.9 10.6 20.4 1.4 123 129 A K H X S+ 0 0 70 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.870 105.6 55.3 -64.0 -42.4 10.8 19.8 5.2 124 130 A I H X>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 4,-1.2 0.882 110.7 46.4 -55.9 -41.8 7.3 21.3 5.8 125 131 A K H <5S+ 0 0 108 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.815 113.6 48.0 -71.3 -33.7 5.8 18.8 3.3 126 132 A E H <5S+ 0 0 143 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.885 116.6 43.6 -68.8 -41.6 7.8 15.9 4.8 127 133 A D H <5S- 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.687 96.8-139.7 -73.4 -26.8 6.7 16.9 8.3 128 134 A K T <5 - 0 0 104 -4,-1.2 -59,-0.2 -5,-0.2 -3,-0.2 0.932 31.7-152.0 55.2 49.1 3.0 17.6 7.3 129 135 A S < - 0 0 0 -5,-1.6 -59,-0.2 1,-0.2 -1,-0.2 -0.252 24.9-163.0 -60.6 126.1 3.3 20.6 9.6 130 136 A A S S+ 0 0 23 -61,-2.0 33,-1.9 1,-0.3 2,-0.3 0.815 82.7 18.5 -72.1 -34.0 0.1 21.8 11.2 131 137 A I E -cd 70 163A 3 -62,-1.0 -60,-2.2 31,-0.2 2,-0.4 -0.999 64.4-161.2-142.4 135.5 1.8 25.1 12.1 132 138 A V E -cd 71 164A 0 31,-1.9 33,-3.1 -2,-0.3 2,-0.4 -0.981 11.1-162.3-115.5 129.9 4.9 26.9 10.8 133 139 A Y E +cd 72 165A 0 -62,-2.8 -60,-2.8 -2,-0.4 33,-0.2 -0.949 17.6 160.5-112.9 131.7 6.5 29.7 12.9 134 140 A A E - d 0 166A 0 31,-1.9 33,-2.3 -2,-0.4 2,-0.5 -0.996 35.0-125.3-149.0 142.7 8.9 32.2 11.5 135 141 A P E - d 0 167A 1 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.770 7.4-157.0 -88.7 129.5 10.3 35.7 12.5 136 142 A H S S+ 0 0 2 31,-2.5 9,-2.2 -2,-0.5 2,-0.4 0.982 92.7 12.9 -62.6 -56.5 9.9 38.4 9.9 137 143 A V E S-I 144 0C 0 30,-0.7 2,-0.6 7,-0.2 33,-0.4 -0.993 78.4-149.0-120.8 127.7 12.7 40.3 11.6 138 144 A E E >> -I 143 0C 0 5,-2.5 4,-1.8 -2,-0.4 5,-0.7 -0.875 6.3-154.0 -98.1 121.4 14.9 38.4 14.2 139 145 A T T 45S+ 0 0 14 -2,-0.6 -1,-0.1 1,-0.2 164,-0.1 0.699 87.3 53.7 -74.7 -23.7 16.1 40.9 16.7 140 146 A S T 45S+ 0 0 0 1,-0.1 189,-0.3 3,-0.1 -1,-0.2 0.766 123.9 23.8 -82.3 -26.2 19.2 39.1 17.8 141 147 A S T 45S- 0 0 0 -3,-0.5 163,-0.3 2,-0.1 -2,-0.2 0.509 94.9-125.2-115.1 -10.0 20.7 38.7 14.4 142 148 A G T <5 + 0 0 0 -4,-1.8 157,-3.1 1,-0.2 2,-0.4 0.735 56.8 154.6 64.0 25.2 19.1 41.5 12.3 143 149 A I E < -IJ 138 298C 0 -5,-0.7 -5,-2.5 155,-0.2 2,-0.4 -0.740 25.5-166.1 -90.4 129.0 17.9 38.8 9.8 144 150 A I E -I 137 0C 10 153,-2.4 2,-0.4 -2,-0.4 -7,-0.2 -0.949 15.0-137.0-116.5 129.3 14.8 39.7 7.7 145 151 A L - 0 0 1 -9,-2.2 152,-0.1 -2,-0.4 151,-0.0 -0.733 28.6-118.8 -80.6 128.4 12.8 37.1 5.7 146 152 A S > - 0 0 62 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.221 18.5-115.3 -62.1 157.0 11.8 38.3 2.2 147 153 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 119.8 51.1 -60.7 -45.6 8.1 38.6 1.1 148 154 A E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.838 108.4 52.3 -59.5 -34.2 8.7 35.9 -1.5 149 155 A Y H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 110.9 46.7 -65.4 -49.9 10.3 33.6 1.2 150 156 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.921 110.9 52.6 -54.9 -48.3 7.3 34.0 3.5 151 157 A K H X S+ 0 0 60 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.913 107.3 52.4 -57.2 -43.5 5.0 33.4 0.6 152 158 A A H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.902 109.4 48.5 -59.8 -40.5 6.9 30.1 -0.2 153 159 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.947 111.0 52.6 -66.1 -44.3 6.4 29.0 3.4 154 160 A S H X S+ 0 0 1 -4,-2.8 4,-2.6 27,-0.3 5,-0.2 0.948 110.2 45.2 -51.8 -60.4 2.7 29.9 3.2 155 161 A E H X S+ 0 0 110 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.895 114.0 51.1 -53.4 -43.7 2.1 27.8 0.0 156 162 A A H X S+ 0 0 1 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.935 113.7 41.8 -61.7 -50.2 4.1 24.9 1.5 157 163 A V H ><>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 3,-0.7 0.838 113.7 53.9 -70.1 -30.0 2.2 24.7 4.8 158 164 A H H ><5S+ 0 0 81 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.859 99.7 61.9 -67.8 -33.4 -1.1 25.3 3.0 159 165 A S H 3<5S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.653 110.5 40.0 -67.8 -19.1 -0.5 22.4 0.7 160 166 A V T <<5S- 0 0 45 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.194 124.3 -99.4-113.7 8.7 -0.4 20.1 3.8 161 167 A G T < 5S+ 0 0 73 -3,-1.2 -3,-0.2 1,-0.3 2,-0.1 0.647 80.7 120.5 88.4 21.6 -3.4 21.7 5.6 162 168 A G < - 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0 0 8 -4,-0.4 -1,-0.2 -3,-0.3 22,-0.1 -0.470 68.5 -23.4 66.1-141.8 9.0 48.2 12.4 173 179 A C T 3 S+ 0 0 2 96,-0.2 2,-1.7 20,-0.1 -1,-0.2 0.229 104.1 115.6 -87.1 13.9 7.2 49.9 9.5 174 180 A V < - 0 0 8 -3,-1.5 -1,-0.1 -6,-0.1 2,-0.1 -0.647 61.3-157.7 -79.9 82.5 8.0 47.1 7.0 175 181 A W - 0 0 28 -2,-1.7 2,-0.4 91,-0.2 -2,-0.1 -0.370 9.9-151.2 -69.9 140.1 4.3 46.2 6.7 176 182 A L - 0 0 2 -2,-0.1 2,-0.7 -8,-0.0 -8,-0.0 -0.951 8.0-143.4-113.1 131.7 3.2 42.7 5.5 177 183 A D > - 0 0 52 -2,-0.4 4,-1.8 1,-0.1 -135,-0.2 -0.895 14.7-155.1 -91.9 111.9 -0.1 42.3 3.6 178 184 A X H >>S+ 0 0 3 -137,-2.8 5,-2.1 -2,-0.7 4,-1.5 0.781 86.0 49.0 -64.7 -34.6 -1.4 38.9 4.9 179 185 A K H 45S+ 0 0 127 -137,-0.2 -1,-0.2 -138,-0.2 -137,-0.1 0.880 109.5 51.6 -77.0 -38.1 -3.6 37.9 2.0 180 186 A E H 45S+ 0 0 122 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.913 121.5 33.6 -60.2 -42.5 -0.9 38.6 -0.6 181 187 A L H <5S- 0 0 6 -4,-1.8 -27,-0.3 2,-0.1 -2,-0.2 0.614 107.7-120.6 -92.7 -13.7 1.6 36.5 1.3 182 188 A G T <5 + 0 0 14 -4,-1.5 2,-0.4 1,-0.2 -18,-0.3 0.863 51.6 163.4 75.5 35.7 -0.8 33.9 2.7 183 189 A I < - 0 0 2 -5,-2.1 -1,-0.2 -6,-0.1 -18,-0.1 -0.746 21.2-172.7 -85.6 135.0 0.0 34.6 6.3 184 190 A D S S+ 0 0 7 -20,-2.2 22,-2.6 -2,-0.4 2,-0.4 0.804 72.6 25.5 -99.6 -35.4 -2.6 33.2 8.8 185 191 A V E -eF 165 205A 0 -21,-2.0 -19,-3.0 20,-0.2 2,-0.4 -1.000 64.6-175.1-132.4 126.5 -1.4 34.6 12.1 186 192 A L E -eF 166 204A 0 18,-2.1 18,-3.1 -2,-0.4 2,-0.4 -0.998 11.4-155.3-125.4 124.1 0.7 37.8 12.3 187 193 A I E +eF 167 203A 0 -21,-2.4 -19,-2.3 -2,-0.4 16,-0.2 -0.886 21.4 158.4-106.7 129.9 2.0 38.9 15.8 188 194 A S E - F 0 202A 6 14,-2.4 14,-3.0 -2,-0.4 -19,-0.2 -0.734 21.4-152.7-135.3-175.5 2.9 42.6 16.7 189 195 A A > - 0 0 2 -21,-0.2 5,-0.5 12,-0.2 3,-0.3 -0.964 24.8-121.1-156.5 156.4 3.3 44.8 19.8 190 196 A P T 5S+ 0 0 0 0, 0.0 6,-1.8 0, 0.0 11,-0.1 0.660 95.5 65.7 -84.1 -7.5 2.8 48.5 20.4 191 197 A Q T 5S+ 0 0 45 4,-0.2 156,-0.1 3,-0.1 -22,-0.0 0.619 97.2 41.4 -95.9 -17.3 6.3 49.4 21.6 192 198 A X T > 5S+ 0 0 75 -3,-0.3 3,-1.6 -23,-0.2 -22,-0.1 0.674 129.3 3.5 -91.5-100.1 8.8 48.8 18.8 193 199 A G T 3 5S+ 0 0 6 -24,-0.5 155,-0.3 1,-0.3 156,-0.2 0.865 127.4 59.6 -55.1 -40.5 7.6 50.0 15.3 194 200 A W T 3 - 0 0 21 -22,-2.6 4,-2.8 -2,-0.3 5,-0.2 -0.430 41.9 -98.3 -82.7 170.0 -6.8 35.2 8.5 207 213 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.868 127.0 49.5 -55.3 -41.4 -10.2 33.5 7.8 208 214 A A H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 111.1 49.7 -69.4 -38.5 -8.5 30.1 8.0 209 215 A A H > S+ 0 0 0 2,-0.2 4,-2.7 -25,-0.2 -2,-0.2 0.894 109.6 50.5 -61.9 -44.5 -6.9 31.0 11.2 210 216 A I H X S+ 0 0 23 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.914 110.0 51.8 -61.2 -41.2 -10.2 32.3 12.7 211 217 A K H X S+ 0 0 164 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.914 112.6 44.3 -63.3 -42.5 -11.8 29.0 11.6 212 218 A K H < S+ 0 0 87 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.859 110.8 53.3 -73.8 -36.8 -9.1 26.9 13.4 213 219 A V H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.897 109.3 51.1 -60.3 -40.5 -9.1 29.1 16.6 214 220 A E H 3< S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.6 45.1 -67.3 -30.1 -12.9 28.5 16.7 215 221 A S T 3< S+ 0 0 84 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.2 0.286 106.7 70.7 -99.8 8.8 -12.6 24.7 16.4 216 222 A T < - 0 0 25 -3,-0.9 2,-0.4 -4,-0.3 -152,-0.1 -0.793 69.6-136.5-119.1 166.0 -9.7 24.3 18.9 217 223 A E - 0 0 133 -2,-0.3 -151,-0.1 -154,-0.2 -3,-0.1 -0.983 17.2-135.7-128.9 118.0 -9.4 24.7 22.7 218 224 A S - 0 0 17 -2,-0.4 -155,-0.2 -5,-0.1 6,-0.1 -0.267 4.4-143.9 -66.6 155.2 -6.6 26.5 24.5 219 225 A N S S+ 0 0 71 -157,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.221 81.1 70.7-104.7 16.1 -4.9 25.0 27.6 220 226 A C - 0 0 31 1,-0.1 3,-0.2 -161,-0.1 4,-0.2 -0.907 61.3-159.4-139.9 111.1 -4.4 28.4 29.3 221 227 A F S > S+ 0 0 155 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.888 92.7 45.7 -51.4 -50.7 -7.2 30.4 30.8 222 228 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.2 5,-0.0 -163,-0.1 0.862 121.3 36.2 -66.9 -37.3 -5.5 33.8 30.8 223 229 A L T 3 S+ 0 0 24 -3,-0.2 2,-0.7 -165,-0.1 -1,-0.2 0.004 76.7 148.0-105.7 24.7 -4.0 33.6 27.3 224 230 A D <> - 0 0 22 -3,-1.0 4,-2.5 -4,-0.2 5,-0.2 -0.506 32.3-162.4 -67.0 107.9 -7.0 31.8 25.6 225 231 A L H > S+ 0 0 0 -2,-0.7 4,-2.4 -166,-0.4 5,-0.2 0.892 88.5 51.4 -63.6 -42.7 -6.9 33.2 22.0 226 232 A K H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.858 111.0 48.8 -59.0 -40.2 -10.5 32.1 21.2 227 233 A Q H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 110.7 49.3 -73.1 -38.6 -11.7 33.8 24.4 228 234 A W H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -180,-0.2 0.883 109.1 53.2 -68.3 -29.1 -9.8 37.0 23.6 229 235 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 106.0 54.1 -67.6 -38.5 -11.3 36.9 20.0 230 236 A T H X S+ 0 0 64 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.933 107.9 49.9 -58.6 -45.8 -14.8 36.6 21.6 231 237 A I H X S+ 0 0 4 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.935 108.9 51.6 -58.3 -44.9 -14.0 39.8 23.6 232 238 A X H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.916 106.7 55.3 -58.9 -42.9 -12.9 41.6 20.5 233 239 A R H X S+ 0 0 81 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.830 98.4 60.0 -62.3 -33.8 -16.2 40.7 18.8 234 240 A A H <>S+ 0 0 24 -4,-1.6 5,-2.4 -3,-0.4 -1,-0.2 0.916 109.6 44.0 -61.1 -40.6 -18.3 42.2 21.6 235 241 A Y H ><5S+ 0 0 1 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.2 0.907 111.1 53.7 -66.2 -44.1 -16.6 45.6 20.8 236 242 A E H 3<5S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 105.9 54.9 -59.1 -33.7 -17.0 45.0 17.0 237 243 A N T 3<5S- 0 0 140 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.352 129.2 -95.5 -81.9 4.5 -20.8 44.4 17.6 238 244 A G T < 5S+ 0 0 53 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.497 97.4 70.9 98.6 6.7 -21.2 47.8 19.3 239 245 A G S + 0 0 34 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.506 50.4 174.9 -76.5 76.0 -4.7 48.2 29.7 248 254 A T H > + 0 0 4 -2,-2.2 4,-1.8 1,-0.2 5,-0.1 0.892 67.8 43.7 -61.3 -50.7 -7.2 50.7 28.7 249 255 A D H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 114.8 51.6 -66.4 -33.3 -5.3 54.0 28.9 250 256 A S H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -53,-0.3 0.820 108.3 51.5 -69.0 -35.4 -2.2 52.4 27.2 251 257 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.827 106.3 54.0 -69.9 -34.8 -4.4 51.1 24.4 252 258 A R H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.924 108.0 50.4 -65.1 -40.9 -5.8 54.6 23.9 253 259 A Q H X S+ 0 0 98 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.887 110.1 51.3 -58.4 -40.9 -2.2 55.9 23.6 254 260 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.920 106.8 52.4 -62.3 -42.8 -1.6 53.1 21.0 255 261 A R H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.936 109.7 49.5 -60.0 -45.3 -4.7 54.2 19.0 256 262 A D H X S+ 0 0 84 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.838 110.1 50.9 -60.8 -35.7 -3.3 57.8 18.9 257 263 A A H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.907 108.2 52.4 -69.0 -42.6 0.1 56.4 17.8 258 264 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.938 112.0 45.5 -56.5 -47.1 -1.6 54.5 14.9 259 265 A L H X S+ 0 0 64 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.837 109.4 54.7 -68.9 -33.8 -3.4 57.6 13.8 260 266 A E H X S+ 0 0 104 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.932 112.2 44.5 -62.1 -44.7 -0.2 59.7 14.0 261 267 A A H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 3,-0.3 0.943 111.5 53.7 -61.4 -49.1 1.5 57.2 11.8 262 268 A K H < S+ 0 0 104 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.876 107.2 50.6 -54.5 -42.7 -1.5 57.1 9.4 263 269 A E H < S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.2 47.2 -68.8 -34.3 -1.5 60.9 9.0 264 270 A I H < S- 0 0 52 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.957 126.1 -98.4 -67.1 -50.8 2.2 60.9 8.2 265 271 A G X - 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