==== 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 15-SEP-08 3EI8 . COMPND 2 MOLECULE: LL-DIAMINOPIMELATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR N.WATANABE,M.D.CLAY,M.J.VAN BELKUM,M.M.CHERNEY,J.C.VEDERAS, . 823 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 . 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 2 0 0 0 2 2 1 7 2 2 4 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 4 2 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 19 A E 0 0 196 0, 0.0 2,-0.2 0, 0.0 680,-0.0 0.000 360.0 360.0 360.0 140.9 -57.5 54.6 5.1 2 20 A Y - 0 0 57 679,-0.0 2,-0.3 685,-0.0 681,-0.1 -0.493 360.0-172.6 -68.5 140.7 -55.6 57.7 6.2 3 21 A K - 0 0 92 -2,-0.2 681,-0.2 679,-0.1 682,-0.1 -0.985 21.1-121.6-130.2 146.0 -52.0 57.9 5.1 4 22 A T - 0 0 2 679,-2.1 683,-0.2 -2,-0.3 622,-0.2 -0.182 21.4-120.6 -70.1 175.8 -49.4 60.5 6.2 5 23 A K S S+ 0 0 136 620,-2.1 2,-0.5 589,-0.1 621,-0.1 0.127 74.7 119.2-102.9 17.5 -47.6 62.7 3.7 6 24 A V - 0 0 0 677,-0.3 679,-2.8 619,-0.2 680,-0.3 -0.735 64.8-127.4 -86.5 128.0 -44.2 61.4 4.7 7 25 A S - 0 0 80 -2,-0.5 3,-0.1 677,-0.2 529,-0.1 -0.555 25.5-111.1 -72.1 131.8 -42.3 59.6 1.9 8 26 A R - 0 0 52 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.339 46.3 -91.2 -53.8 140.4 -41.0 56.1 2.7 9 27 A N >> - 0 0 7 523,-0.3 4,-1.5 1,-0.2 3,-0.8 -0.448 33.5-144.9 -58.6 118.9 -37.2 56.1 3.0 10 28 A S H 3> S+ 0 0 60 -2,-0.3 4,-0.7 1,-0.3 -1,-0.2 0.722 97.5 61.0 -66.5 -19.4 -36.1 55.3 -0.6 11 29 A N H 3> S+ 0 0 17 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.854 102.0 51.2 -72.9 -33.9 -33.2 53.3 0.8 12 30 A M H X4 S+ 0 0 2 -3,-0.8 3,-1.0 1,-0.2 -2,-0.2 0.888 104.8 57.9 -66.5 -37.9 -35.6 50.9 2.6 13 31 A S H 3< S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 96.5 65.1 -61.4 -25.7 -37.4 50.5 -0.7 14 32 A K H 3< S+ 0 0 29 -4,-0.7 136,-0.4 -3,-0.3 -1,-0.2 0.782 75.5 106.7 -69.0 -28.9 -34.2 49.3 -2.3 15 33 A L << - 0 0 22 -3,-1.0 3,-0.1 -4,-0.6 134,-0.0 -0.296 63.1-147.4 -61.3 133.9 -34.0 46.1 -0.1 16 34 A Q - 0 0 100 2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.808 67.8 -25.7 -71.1 -39.1 -34.8 43.0 -2.0 17 35 A A S S- 0 0 63 1,-0.1 3,-0.1 0, 0.0 -1,-0.0 -0.825 87.3 -58.2-155.8-171.5 -36.4 41.0 0.7 18 36 A G S S- 0 0 38 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.254 75.1 -66.6 -73.4 171.1 -36.4 40.7 4.5 19 37 A Y > - 0 0 5 1,-0.1 4,-1.6 -2,-0.0 -1,-0.2 -0.311 53.7-115.2 -59.5 143.3 -33.2 40.0 6.5 20 38 A L H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.843 107.0 49.9 -54.2 -45.6 -32.0 36.5 5.8 21 39 A F H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 107.5 51.2 -72.7 -41.7 -32.4 34.9 9.2 22 40 A P H > S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.878 108.9 55.6 -56.3 -34.6 -36.0 36.0 9.8 23 41 A E H X S+ 0 0 51 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.884 105.9 49.8 -63.8 -39.2 -36.7 34.5 6.3 24 42 A I H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.923 107.2 55.0 -63.5 -44.3 -35.3 31.1 7.3 25 43 A A H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.884 105.5 53.9 -53.5 -42.3 -37.5 31.2 10.5 26 44 A R H X S+ 0 0 131 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.902 109.9 45.8 -59.5 -45.7 -40.5 31.6 8.2 27 45 A R H X S+ 0 0 93 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.833 110.0 54.3 -70.3 -32.6 -39.6 28.6 6.2 28 46 A R H X S+ 0 0 93 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.909 109.8 48.1 -64.2 -42.0 -38.9 26.6 9.4 29 47 A S H X S+ 0 0 72 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.907 110.4 50.1 -64.2 -46.0 -42.4 27.5 10.6 30 48 A A H X S+ 0 0 59 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.885 108.9 54.1 -59.1 -40.5 -44.1 26.5 7.3 31 49 A H H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 106.0 51.8 -60.8 -41.1 -42.2 23.2 7.5 32 50 A L H < S+ 0 0 54 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.815 106.4 53.4 -68.4 -30.0 -43.6 22.6 11.0 33 51 A L H < S+ 0 0 150 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.8 44.9 -66.5 -38.7 -47.2 23.2 9.7 34 52 A K H < S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.830 129.6 25.7 -71.8 -34.4 -46.5 20.6 7.0 35 53 A Y >< + 0 0 75 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.3 -0.654 69.3 174.0-131.4 77.0 -44.9 18.2 9.5 36 54 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.704 81.8 48.5 -61.9 -21.8 -46.4 18.9 12.9 37 55 A D T 3 S+ 0 0 157 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.289 82.2 128.7 -98.8 6.4 -44.6 15.9 14.5 38 56 A A < - 0 0 18 -3,-2.2 2,-1.2 -6,-0.2 -3,-0.1 -0.420 57.5-138.6 -69.6 136.5 -41.2 16.6 13.0 39 57 A Q - 0 0 152 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.745 31.0-159.2 -92.2 85.2 -38.2 16.7 15.4 40 58 A V - 0 0 26 -2,-1.2 2,-0.5 329,-0.1 329,-0.2 -0.447 11.2-162.1 -75.5 133.1 -36.5 19.7 13.9 41 59 A I E -a 369 0A 11 327,-2.5 329,-2.4 -2,-0.2 2,-0.7 -0.980 13.5-143.2-113.7 123.1 -32.8 20.3 14.5 42 60 A S E +a 370 0A 46 -2,-0.5 329,-0.1 327,-0.2 5,-0.1 -0.792 39.6 149.9 -95.3 113.1 -31.6 23.8 13.8 43 61 A L + 0 0 1 327,-2.3 345,-2.6 -2,-0.7 329,-0.2 -0.144 56.5 90.7-120.6 31.6 -28.1 24.2 12.3 44 62 A G S S+ 0 0 0 327,-0.2 328,-0.2 1,-0.2 344,-0.1 0.775 78.0 35.9 -91.6-102.4 -29.1 27.4 10.5 45 63 A I S S- 0 0 54 326,-0.2 2,-2.3 1,-0.1 -1,-0.2 -0.242 91.6-112.4 -51.6 141.7 -28.5 30.6 12.3 46 64 A G + 0 0 11 -3,-0.1 2,-0.5 343,-0.0 -1,-0.1 -0.473 57.5 158.9 -80.4 70.6 -25.3 30.4 14.4 47 65 A D - 0 0 40 -2,-2.3 440,-0.0 343,-0.2 205,-0.0 -0.857 41.5-122.2 -99.8 125.9 -27.1 30.5 17.7 48 66 A T - 0 0 2 -2,-0.5 440,-0.2 1,-0.1 439,-0.1 -0.319 26.4-175.4 -65.1 149.8 -25.2 29.2 20.7 49 67 A T + 0 0 37 342,-0.1 -1,-0.1 2,-0.1 436,-0.1 0.606 49.4 86.8-123.1 -22.8 -26.8 26.3 22.5 50 68 A E S S- 0 0 33 1,-0.1 436,-0.1 341,-0.1 431,-0.1 -0.531 84.0 -93.0 -88.4 152.5 -24.7 25.4 25.6 51 69 A P - 0 0 29 0, 0.0 429,-0.2 0, 0.0 -1,-0.1 -0.171 40.6-103.0 -60.7 152.9 -25.1 27.1 28.9 52 70 A I - 0 0 2 427,-2.5 203,-0.1 429,-0.2 5,-0.1 -0.581 50.4 -95.2 -68.9 135.5 -23.0 30.1 29.9 53 71 A P >> - 0 0 24 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.231 29.2-122.4 -53.3 140.2 -20.2 29.0 32.3 54 72 A E H 3> S+ 0 0 141 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.820 108.6 62.2 -56.7 -36.7 -21.1 29.5 36.0 55 73 A V H 3> S+ 0 0 37 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.873 110.8 41.4 -58.8 -32.0 -18.0 31.7 36.7 56 74 A I H <> S+ 0 0 0 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.927 115.5 46.5 -83.5 -46.5 -19.5 34.2 34.2 57 75 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.867 108.6 58.1 -65.5 -33.2 -23.2 34.0 35.2 58 76 A S H X S+ 0 0 64 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.886 104.6 50.8 -61.5 -39.0 -22.2 34.3 38.9 59 77 A A H X S+ 0 0 24 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.874 111.1 48.9 -66.5 -35.1 -20.5 37.6 38.1 60 78 A M H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.930 111.7 47.6 -70.9 -44.3 -23.7 38.8 36.4 61 79 A A H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.898 110.3 53.9 -60.7 -40.4 -25.9 37.7 39.2 62 80 A K H X S+ 0 0 135 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 108.5 48.9 -59.4 -45.2 -23.5 39.4 41.7 63 81 A K H X S+ 0 0 39 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.926 109.7 52.1 -60.3 -45.1 -23.8 42.7 39.7 64 82 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.943 111.2 47.0 -56.6 -46.5 -27.6 42.4 39.7 65 83 A H H >< S+ 0 0 84 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.907 108.1 56.0 -61.9 -41.1 -27.6 41.9 43.5 66 84 A E H >< S+ 0 0 70 -4,-2.6 3,-2.0 1,-0.3 6,-0.4 0.823 95.7 66.4 -60.2 -32.2 -25.2 44.9 43.9 67 85 A L T 3< S+ 0 0 0 -4,-1.7 397,-2.7 -3,-0.4 -1,-0.3 0.645 94.6 58.5 -68.0 -12.9 -27.7 47.1 42.0 68 86 A S T < S+ 0 0 26 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.3 0.350 97.3 79.0 -93.6 5.1 -30.1 46.7 44.9 69 87 A T S <> S- 0 0 44 -3,-2.0 4,-1.4 1,-0.1 395,-0.1 -0.823 80.5-128.2-113.8 153.2 -27.6 48.2 47.4 70 88 A I T 4 S+ 0 0 97 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.938 111.0 41.1 -61.4 -48.5 -26.6 51.8 48.0 71 89 A E T 4 S+ 0 0 164 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.806 119.5 44.7 -72.5 -29.2 -22.9 51.2 47.6 72 90 A G T 4 S+ 0 0 16 -6,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.541 85.1 109.8 -96.8 -11.3 -23.3 48.9 44.6 73 91 A Y < + 0 0 26 -4,-1.4 2,-0.3 -3,-0.3 -6,-0.1 -0.454 41.2 179.7 -67.4 137.4 -25.8 50.8 42.6 74 92 A S - 0 0 43 -2,-0.2 596,-0.4 593,-0.1 3,-0.1 -0.994 6.4-170.7-135.4 141.9 -24.6 52.4 39.3 75 93 A G + 0 0 9 1,-0.4 220,-0.1 -2,-0.3 386,-0.1 0.399 61.3 5.5 -96.7-129.1 -26.7 54.4 36.9 76 94 A Y - 0 0 28 384,-0.2 -1,-0.4 594,-0.1 2,-0.3 -0.304 68.6-153.6 -55.3 137.7 -25.6 55.6 33.4 77 95 A G - 0 0 37 214,-0.5 5,-0.0 592,-0.3 -1,-0.0 -0.822 36.1 -81.8-105.1 156.1 -22.2 54.3 32.4 78 96 A A > - 0 0 65 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.311 41.7-124.8 -50.3 134.8 -19.9 56.1 30.0 79 97 A E T 3 S+ 0 0 16 1,-0.3 214,-0.3 213,-0.1 213,-0.2 0.815 109.1 61.4 -59.6 -30.4 -21.2 55.1 26.5 80 98 A Q T 3 S- 0 0 32 1,-0.2 26,-3.0 25,-0.1 -1,-0.3 0.643 117.1-104.5 -70.0 -16.0 -17.7 53.8 25.6 81 99 A G < - 0 0 1 -3,-2.0 -1,-0.2 24,-0.2 -2,-0.1 -0.150 49.0 -43.6 107.2 156.5 -17.9 51.2 28.4 82 100 A A >> - 0 0 47 1,-0.1 4,-2.5 -3,-0.1 3,-0.6 -0.258 52.5-128.2 -55.9 134.3 -16.4 50.7 31.9 83 101 A K H 3> S+ 0 0 119 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.901 107.1 53.4 -54.8 -45.3 -12.7 51.6 32.0 84 102 A P H 3> S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.846 111.1 47.6 -60.7 -30.9 -11.7 48.2 33.6 85 103 A L H <> S+ 0 0 2 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.3 48.9 -74.1 -43.5 -13.5 46.4 30.8 86 104 A R H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 113.9 48.7 -56.3 -43.8 -11.9 48.5 28.1 87 105 A A H X S+ 0 0 16 -4,-3.1 4,-2.5 -5,-0.2 5,-0.3 0.903 110.7 49.6 -63.1 -43.8 -8.5 47.8 29.8 88 106 A A H X S+ 0 0 12 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.906 113.0 46.3 -64.1 -42.9 -9.2 44.1 30.0 89 107 A I H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.6 0.940 112.2 51.2 -63.2 -45.6 -10.2 43.9 26.3 90 108 A A H X5S+ 0 0 3 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.920 118.0 37.0 -60.8 -44.0 -7.2 46.0 25.2 91 109 A K H X5S+ 0 0 148 -4,-2.5 4,-1.2 3,-0.2 -1,-0.2 0.909 117.5 48.9 -76.9 -41.6 -4.7 43.8 27.1 92 110 A T H <5S+ 0 0 54 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.930 128.3 19.5 -66.8 -46.1 -6.2 40.4 26.6 93 111 A F H <5S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.668 137.8 28.5-100.0 -18.0 -6.7 40.6 22.9 94 112 A Y H > - 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G 0 263B 1 15,-2.7 15,-2.1 -2,-0.4 2,-0.3 -0.871 19.2-149.5-148.4-175.4 -15.7 41.5 17.8 249 267 A S E - G 0 262B 3 13,-0.3 13,-0.3 -2,-0.3 3,-0.1 -0.976 27.0-134.3-156.1 157.5 -18.1 40.0 20.2 250 268 A F S >> S+ 0 0 0 11,-2.5 4,-2.5 -2,-0.3 6,-1.0 0.418 83.7 98.3 -90.8 -2.8 -18.5 37.6 23.2 251 269 A S H 3> S+ 0 0 2 10,-0.3 4,-0.9 5,-0.3 6,-0.6 0.906 89.3 33.6 -51.2 -51.0 -21.5 36.0 21.5 252 270 A N H 34 S+ 0 0 6 -31,-0.3 -1,-0.3 3,-0.2 -2,-0.1 0.486 121.1 49.7 -88.4 -1.5 -19.6 33.0 20.1 253 271 A Y H <4 S+ 0 0 5 -3,-1.0 64,-0.3 63,-0.0 63,-0.2 0.765 127.4 14.8-104.9 -36.0 -17.1 32.7 22.9 254 272 A A H < S- 0 0 1 -4,-2.5 -3,-0.2 62,-0.1 -2,-0.2 0.348 105.5-102.4-122.7 2.5 -19.3 32.7 26.1 255 273 A G S >< S+ 0 0 2 -4,-0.9 3,-0.6 -5,-0.5 -4,-0.2 0.791 70.4 148.0 76.7 28.8 -22.8 32.1 24.6 256 274 A F T 3> + 0 0 0 -6,-1.0 4,-2.5 -5,-0.3 5,-0.3 0.117 24.3 119.4 -84.9 20.1 -23.6 35.8 25.0 257 275 A T T 34 S+ 0 0 0 -6,-0.6 232,-0.3 1,-0.2 -1,-0.2 0.865 90.2 27.8 -56.2 -36.1 -25.9 35.8 21.9 258 276 A G T <4 S+ 0 0 3 -3,-0.6 449,-2.6 228,-0.4 -1,-0.2 0.609 116.3 61.3 -97.2 -15.4 -28.8 36.9 24.1 259 277 A V T 4 S- 0 0 0 447,-0.2 -2,-0.2 -4,-0.2 35,-0.2 0.857 95.9-141.1 -80.3 -38.7 -26.7 38.7 26.8 260 278 A R < + 0 0 5 -4,-2.5 34,-0.3 1,-0.2 2,-0.3 0.970 40.7 141.3 80.8 90.7 -25.3 41.3 24.3 261 279 A L + 0 0 0 -5,-0.3 -11,-2.5 -153,-0.2 -10,-0.3 -0.831 10.0 133.3-161.5 119.0 -21.7 42.4 24.6 262 280 A G E -BG 107 249B 0 -155,-2.0 -155,-2.4 -2,-0.3 2,-0.3 -0.744 29.8-142.3-141.4-167.1 -19.1 43.2 22.0 263 281 A W E -BG 106 248B 4 -15,-2.1 -15,-2.7 -157,-0.3 2,-0.4 -0.989 5.0-144.7-158.2 163.9 -16.5 45.8 21.2 264 282 A T E -BG 105 247B 0 -159,-2.1 -159,-2.8 -2,-0.3 2,-0.5 -0.992 12.4-152.6-129.7 142.5 -14.9 47.8 18.4 265 283 A V E -BG 104 246B 0 -19,-3.2 -19,-2.2 -2,-0.4 -161,-0.2 -0.971 12.6-179.7-115.5 125.3 -11.2 48.9 18.4 266 284 A I - 0 0 0 -163,-2.4 -21,-0.1 -2,-0.5 -25,-0.1 -0.972 22.7-137.3-126.5 116.2 -10.3 52.1 16.4 267 285 A P > - 0 0 4 0, 0.0 3,-1.4 0, 0.0 12,-0.4 -0.286 17.0-118.2 -76.9 156.7 -6.6 53.0 16.5 268 286 A K T 3 S+ 0 0 113 1,-0.2 11,-0.1 10,-0.1 -26,-0.1 0.759 109.7 59.3 -60.3 -29.3 -5.3 56.5 17.0 269 287 A K T 3 S+ 0 0 122 -28,-0.2 2,-0.8 8,-0.1 -1,-0.2 0.406 75.4 107.1 -86.8 2.6 -3.5 56.5 13.6 270 288 A L < + 0 0 0 -3,-1.4 8,-2.2 -26,-0.1 9,-0.5 -0.734 51.3 172.5 -86.7 109.3 -6.7 55.9 11.5 271 289 A L B -I 277 0D 9 -2,-0.8 145,-2.1 -29,-0.5 147,-0.3 -0.914 31.9-124.4-124.9 144.3 -7.5 59.3 9.8 272 290 A Y > - 0 0 0 4,-3.0 3,-2.5 -2,-0.3 147,-0.2 -0.237 49.2 -89.0 -71.0 171.3 -9.9 60.6 7.2 273 291 A S T 3 S+ 0 0 46 145,-2.7 146,-0.1 1,-0.3 -1,-0.1 0.694 129.3 53.3 -60.8 -23.8 -8.5 62.4 4.1 274 292 A D T 3 S- 0 0 96 144,-0.3 -1,-0.3 2,-0.1 145,-0.1 0.278 123.1-102.9 -92.6 7.5 -8.6 65.7 6.0 275 293 A G S < S+ 0 0 21 -3,-2.5 -2,-0.1 1,-0.3 139,-0.0 0.352 74.2 143.4 88.6 -4.5 -6.6 64.4 8.9 276 294 A F - 0 0 41 1,-0.1 -4,-3.0 -5,-0.1 2,-0.3 -0.505 56.3-113.8 -73.5 131.6 -9.5 64.0 11.2 277 295 A P B >> -I 271 0D 40 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.505 14.1-145.9 -71.9 125.7 -9.3 60.9 13.5 278 296 A V H >> S+ 0 0 0 -8,-2.2 4,-2.2 -2,-0.3 3,-0.7 0.864 96.5 63.6 -57.0 -38.5 -12.0 58.3 12.7 279 297 A A H 3> S+ 0 0 19 -9,-0.5 4,-2.5 -12,-0.4 -1,-0.3 0.815 96.0 59.0 -59.3 -29.4 -12.2 57.3 16.4 280 298 A K H <> S+ 0 0 126 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.872 107.4 45.5 -69.4 -35.7 -13.4 60.8 17.3 281 299 A D H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 3,-0.6 0.945 112.2 48.6 -59.7 -50.0 -21.9 58.4 17.3 286 304 A I H 3< S+ 0 0 4 -4,-2.9 4,-0.5 1,-0.2 6,-0.2 0.806 114.6 46.0 -60.0 -35.0 -21.6 56.2 20.4 287 305 A C H 3< S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.659 122.5 35.0 -83.3 -16.0 -22.3 59.2 22.7 288 306 A T H << S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.775 126.4 32.2-106.7 -35.3 -25.3 60.4 20.6 289 307 A C S < S+ 0 0 10 -4,-3.3 2,-0.3 -5,-0.2 -3,-0.2 0.324 118.7 43.8-108.3 3.2 -27.0 57.3 19.3 290 308 A F - 0 0 0 -4,-0.5 -211,-0.1 -5,-0.3 3,-0.1 -0.955 54.5-154.8-148.5 156.0 -26.3 54.8 22.1 291 309 A N - 0 0 2 1,-0.3 -214,-0.5 -2,-0.3 -4,-0.1 0.175 61.1 -86.3-123.8 18.4 -26.4 54.8 25.9 292 310 A G - 0 0 2 -6,-0.2 -1,-0.3 -213,-0.2 -213,-0.1 0.003 51.2 -65.5 98.1 157.1 -23.8 52.1 26.7 293 311 A A S S- 0 0 5 -214,-0.3 -216,-0.1 -187,-0.3 -185,-0.1 -0.398 71.5 -77.1 -71.6 155.6 -23.9 48.3 27.0 294 312 A S > - 0 0 6 -34,-0.3 4,-2.6 -35,-0.2 377,-0.2 -0.293 36.1-132.9 -54.8 134.8 -25.9 46.8 29.8 295 313 A N H > S+ 0 0 15 375,-2.7 4,-2.0 1,-0.2 376,-0.1 0.846 107.8 50.4 -58.6 -35.8 -24.0 47.1 33.1 296 314 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 109.9 49.6 -69.4 -41.7 -24.8 43.5 33.9 297 315 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.897 110.0 52.1 -63.1 -39.5 -23.5 42.3 30.5 298 316 A Q H X S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 107.4 51.6 -64.0 -40.3 -20.4 44.4 31.1 299 317 A A H X S+ 0 0 22 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.883 110.0 50.8 -62.0 -37.7 -19.8 42.7 34.5 300 318 A G H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.929 110.1 48.3 -63.2 -46.9 -20.2 39.3 32.7 301 319 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.888 107.7 55.3 -63.8 -38.9 -17.6 40.3 30.0 302 320 A L H >< S+ 0 0 72 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.930 106.8 51.2 -58.9 -42.7 -15.2 41.5 32.7 303 321 A A H 3< S+ 0 0 16 -4,-1.8 3,-0.4 1,-0.2 6,-0.4 0.770 102.3 61.5 -64.4 -27.6 -15.5 38.0 34.4 304 322 A C H 3< S+ 0 0 0 -4,-1.2 2,-1.1 -3,-0.3 -1,-0.2 0.839 95.0 64.0 -64.3 -32.4 -14.7 36.4 31.0 305 323 A L S << S+ 0 0 19 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.1 -0.419 86.8 86.8 -99.2 56.0 -11.3 38.1 30.9 306 324 A T S > S- 0 0 53 -2,-1.1 4,-3.1 -3,-0.4 5,-0.3 -0.885 95.8 -95.5-139.3 165.4 -9.8 36.4 33.9 307 325 A P H > S+ 0 0 120 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.945 127.5 44.1 -55.4 -43.4 -8.0 33.1 34.2 308 326 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -253,-0.1 0.895 115.4 47.8 -69.0 -39.1 -11.2 31.3 35.2 309 327 A G H > S+ 0 0 0 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.902 112.6 48.3 -66.4 -42.0 -13.3 33.1 32.5 310 328 A L H X S+ 0 0 60 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.894 111.3 50.4 -67.7 -37.6 -10.7 32.4 29.8 311 329 A E H X S+ 0 0 125 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.907 111.5 49.3 -63.3 -40.8 -10.5 28.7 30.8 312 330 A A H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 111.3 47.4 -66.9 -45.1 -14.3 28.5 30.6 313 331 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.901 108.7 56.1 -62.9 -40.1 -14.6 30.1 27.2 314 332 A H H X S+ 0 0 141 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 108.3 48.0 -58.0 -40.1 -11.8 27.8 25.9 315 333 A K H X S+ 0 0 140 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.903 112.0 48.6 -68.8 -41.8 -13.9 24.8 27.0 316 334 A V H X S+ 0 0 18 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.953 114.2 46.0 -59.9 -52.6 -17.1 26.2 25.4 317 335 A I H X S+ 0 0 6 -4,-3.0 4,-2.4 -64,-0.3 -2,-0.2 0.914 110.6 54.1 -56.4 -45.3 -15.2 26.9 22.1 318 336 A G H X S+ 0 0 35 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.871 105.8 52.7 -60.9 -38.2 -13.6 23.4 22.3 319 337 A F H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.936 111.2 45.5 -61.8 -47.6 -16.9 21.7 22.6 320 338 A Y H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.845 109.4 55.9 -67.8 -31.9 -18.2 23.5 19.5 321 339 A K H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.882 106.2 51.0 -65.5 -37.2 -15.0 22.7 17.6 322 340 A E H X S+ 0 0 87 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.924 108.2 51.7 -64.7 -43.0 -15.6 19.0 18.4 323 341 A N H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.899 108.0 53.5 -54.7 -42.7 -19.1 19.4 17.0 324 342 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.909 105.6 52.4 -61.6 -41.5 -17.5 20.9 13.9 325 343 A N H X S+ 0 0 66 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.893 106.7 53.5 -61.3 -39.9 -15.2 17.9 13.5 326 344 A I H X S+ 0 0 25 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 112.1 44.8 -59.9 -43.8 -18.2 15.6 13.6 327 345 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.922 112.1 51.1 -69.3 -45.0 -19.9 17.5 10.8 328 346 A I H X S+ 0 0 32 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.937 110.7 49.3 -55.6 -49.4 -16.7 17.7 8.7 329 347 A D H X S+ 0 0 105 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 109.5 53.1 -60.8 -39.9 -16.2 14.0 9.0 330 348 A T H X S+ 0 0 4 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.956 113.7 39.9 -59.1 -54.0 -19.8 13.3 8.0 331 349 A F H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.860 115.0 52.7 -69.8 -32.4 -19.7 15.4 4.8 332 350 A T H ><5S+ 0 0 81 -4,-2.6 3,-1.9 -5,-0.3 -1,-0.2 0.942 108.5 50.3 -65.5 -46.1 -16.2 14.2 3.8 333 351 A S H 3<5S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.779 105.9 57.6 -62.4 -27.2 -17.3 10.5 4.2 334 352 A L T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.427 122.3-107.7 -81.8 -1.7 -20.3 11.3 2.0 335 353 A G T < 5S+ 0 0 42 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.574 70.9 141.4 86.7 13.3 -17.9 12.5 -0.8 336 354 A Y < - 0 0 20 -5,-2.3 2,-0.7 75,-0.1 -1,-0.3 -0.538 59.5-116.4 -83.5 151.2 -18.6 16.2 -0.5 337 355 A D - 0 0 97 13,-0.4 13,-2.6 -2,-0.2 2,-0.5 -0.821 41.4-169.2 -79.6 115.4 -16.1 19.0 -0.9 338 356 A V E -J 349 0E 31 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.957 5.4-173.0-114.4 128.0 -16.3 20.5 2.6 339 357 A Y E +J 348 0E 60 9,-2.7 9,-3.0 -2,-0.5 2,-0.1 -0.725 48.6 17.0-116.8 165.7 -14.7 23.8 3.4 340 358 A G E +J 347 0E 28 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.370 66.6 111.8 73.6-154.6 -14.2 25.7 6.6 341 359 A G + 0 0 1 5,-1.5 -1,-0.1 1,-0.1 6,-0.1 -0.030 66.2 80.3 81.0 -32.7 -14.6 23.9 9.9 342 360 A K S S+ 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 -147,-0.1 0.913 110.2 16.0 -72.8 -43.7 -10.9 24.1 10.8 343 361 A N S S+ 0 0 9 -149,-0.4 -118,-0.3 -117,-0.2 -1,-0.2 0.177 126.3 46.3-117.8 15.0 -11.0 27.7 12.1 344 362 A A S S- 0 0 0 2,-0.2 2,-0.7 -120,-0.1 -121,-0.0 -0.984 81.2-111.0-157.5 154.6 -14.7 28.3 12.6 345 363 A P S S+ 0 0 0 0, 0.0 44,-2.5 0, 0.0 45,-0.4 -0.204 94.4 59.2 -89.9 43.4 -17.7 26.6 14.2 346 364 A Y E S- K 0 388E 3 -2,-0.7 -5,-1.5 42,-0.2 2,-0.3 -0.967 71.1-133.9-158.7 162.7 -19.5 26.0 10.8 347 365 A V E -JK 340 387E 0 40,-2.4 40,-2.6 -2,-0.3 2,-0.6 -0.903 7.5-143.0-125.6 150.5 -18.8 24.2 7.6 348 366 A W E -JK 339 386E 1 -9,-3.0 -9,-2.7 -2,-0.3 2,-0.4 -0.925 22.3-164.0-120.1 102.5 -19.2 25.4 4.1 349 367 A V E -JK 338 385E 0 36,-2.7 36,-2.0 -2,-0.6 2,-0.5 -0.766 13.7-134.3-101.8 130.1 -20.4 22.5 1.9 350 368 A H E + K 0 384E 40 -13,-2.6 -13,-0.4 -2,-0.4 34,-0.2 -0.707 23.2 176.0 -86.3 122.2 -20.2 22.6 -1.9 351 369 A F > - 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0 0 63 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.412 52.9-113.0 -60.6 147.7 -29.7 60.7 47.7 805 411 B R H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 116.9 51.0 -54.8 -44.9 -32.0 62.7 50.1 806 412 B E H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 109.5 51.7 -64.1 -32.2 -29.0 64.1 52.0 807 413 B N H > S+ 0 0 67 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.882 109.5 48.3 -71.1 -39.6 -27.3 65.2 48.8 808 414 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 113.9 47.9 -62.3 -46.7 -30.4 67.1 47.6 809 415 B L H X S+ 0 0 69 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.922 113.9 46.8 -59.8 -46.2 -30.7 68.7 51.1 810 416 B E H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 110.8 51.4 -63.9 -43.9 -27.0 69.7 51.0 811 417 B A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 111.3 48.8 -58.1 -42.6 -27.2 71.0 47.4 812 418 B C H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.888 108.6 52.0 -67.8 -38.1 -30.1 73.2 48.4 813 419 B R H X S+ 0 0 115 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.906 110.4 50.0 -64.5 -37.0 -28.4 74.5 51.5 814 420 B R H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.896 110.4 49.4 -65.4 -41.2 -25.4 75.4 49.3 815 421 B F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.919 111.9 48.7 -61.9 -44.3 -27.7 77.2 46.8 816 422 B K H X S+ 0 0 87 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 111.5 49.5 -64.1 -43.2 -29.4 79.1 49.6 817 423 B Q H < S+ 0 0 130 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.900 113.9 45.7 -64.3 -41.1 -26.1 80.2 51.1 818 424 B L H < S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.898 126.3 26.6 -65.0 -42.7 -24.7 81.4 47.7 819 425 B Y H >< S+ 0 0 9 -4,-2.3 3,-1.9 -5,-0.2 4,-0.4 0.602 92.1 90.4-105.0 -13.0 -27.8 83.3 46.7 820 426 B K T 3< S+ 0 0 135 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.796 90.7 47.9 -62.7 -30.4 -29.7 84.4 49.8 821 427 B H T 3 S- 0 0 153 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.293 134.8 -6.6 -92.4 11.4 -27.8 87.8 50.2 822 428 B H < 0 0 153 -3,-1.9 -2,-0.1 -76,-0.1 -3,-0.1 0.605 360.0 360.0-121.5 -91.2 -28.3 88.7 46.5 823 429 B H 0 0 97 -4,-0.4 -2,-0.1 -5,-0.0 -3,-0.1 -0.936 360.0 360.0 -89.4 360.0 -29.5 86.8 44.4 824 ! 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 0.0 825 433 B X 0 0 7 0, 0.0 -302,-0.1 0, 0.0 -534,-0.1 0.000 360.0 360.0 360.0 360.0 -27.7 60.1 29.0