==== 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 17-MAY-07 2Z20 . COMPND 2 MOLECULE: LL-DIAMINOPIMELATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR N.WATANABE,M.M.CHERNEY,M.J.VAN BELKUM,S.L.MARCUS,M.D.FLEGEL, . 821 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.8 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 . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 33.9 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 0 8 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 2 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 . 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 0 193 0, 0.0 2,-0.2 0, 0.0 654,-0.0 0.000 360.0 360.0 360.0 141.3 76.5 22.5 -23.6 2 20 A Y - 0 0 52 680,-0.0 2,-0.4 686,-0.0 682,-0.1 -0.544 360.0-172.7 -74.7 139.6 78.1 19.3 -22.4 3 21 A K - 0 0 92 -2,-0.2 682,-0.2 680,-0.1 683,-0.1 -0.991 20.9-123.8-129.0 145.3 76.5 16.0 -23.6 4 22 A T - 0 0 3 680,-2.0 684,-0.2 -2,-0.4 623,-0.2 -0.222 22.2-119.6 -72.2 173.8 77.4 12.5 -22.5 5 23 A K S S+ 0 0 136 621,-1.5 2,-0.5 590,-0.1 622,-0.1 0.066 75.2 116.9 -99.2 21.6 78.5 9.9 -25.1 6 24 A V - 0 0 0 678,-0.3 680,-3.2 589,-0.1 681,-0.3 -0.795 64.8-126.5 -95.7 136.3 75.6 7.6 -24.2 7 25 A S - 0 0 69 -2,-0.5 3,-0.1 678,-0.2 -2,-0.1 -0.571 26.4-110.9 -75.0 135.0 73.0 6.8 -26.9 8 26 A R - 0 0 53 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.352 47.0 -91.3 -56.0 140.3 69.4 7.4 -26.0 9 27 A N >> - 0 0 10 524,-0.3 4,-1.5 1,-0.2 3,-1.1 -0.463 33.4-143.2 -58.0 116.0 67.5 4.1 -25.8 10 28 A S H 3> S+ 0 0 80 -2,-0.3 4,-0.6 1,-0.3 -1,-0.2 0.723 98.9 61.5 -58.1 -22.6 66.2 3.6 -29.3 11 29 A N H 3> S+ 0 0 17 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.861 101.0 51.9 -69.8 -35.4 63.0 2.1 -27.9 12 30 A X H X4 S+ 0 0 2 -3,-1.1 3,-1.0 1,-0.2 -2,-0.2 0.896 105.7 55.9 -64.7 -42.1 62.2 5.4 -26.1 13 31 A S H 3< S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 96.8 65.2 -58.9 -26.5 62.7 7.2 -29.4 14 32 A K H 3< S+ 0 0 22 -4,-0.6 136,-0.4 -3,-0.5 -1,-0.2 0.779 78.7 104.8 -69.1 -28.6 60.0 4.9 -31.0 15 33 A L << - 0 0 21 -3,-1.0 3,-0.0 -4,-0.6 134,-0.0 -0.269 65.4-144.8 -59.4 135.6 57.2 6.4 -28.8 16 34 A Q - 0 0 101 2,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.900 65.0 -36.0 -72.3 -48.0 54.8 8.8 -30.5 17 35 A A S S- 0 0 67 1,-0.2 2,-0.1 0, 0.0 3,-0.1 -0.714 86.4 -47.3-147.4-155.9 54.1 11.3 -27.7 18 36 A G S S- 0 0 33 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.377 78.5 -71.2 -73.0 164.5 53.6 11.3 -24.0 19 37 A Y > - 0 0 3 1,-0.1 4,-1.8 -2,-0.1 -1,-0.2 -0.313 54.0-111.4 -50.9 141.1 51.4 8.8 -22.2 20 38 A L H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.835 111.4 52.8 -48.5 -47.9 47.8 9.6 -23.1 21 39 A F H > S+ 0 0 21 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.863 106.7 50.6 -73.1 -41.3 46.7 10.8 -19.6 22 40 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.902 109.9 53.5 -51.2 -43.7 49.5 13.3 -19.2 23 41 A E H X S+ 0 0 48 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.874 108.1 49.2 -62.9 -39.1 48.5 14.7 -22.7 24 42 A I H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.928 107.2 55.4 -58.5 -47.5 44.9 15.1 -21.5 25 43 A A H X S+ 0 0 52 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.895 106.3 52.8 -52.7 -43.3 46.1 16.9 -18.4 26 44 A R H X S+ 0 0 134 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.937 109.6 46.1 -55.9 -53.6 47.9 19.4 -20.7 27 45 A R H X S+ 0 0 94 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.850 111.1 53.3 -62.6 -35.2 44.8 20.2 -22.7 28 46 A R H X S+ 0 0 80 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.928 109.8 47.8 -66.1 -42.3 42.8 20.6 -19.5 29 47 A S H X S+ 0 0 68 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.942 111.6 50.0 -60.0 -48.6 45.5 23.1 -18.2 30 48 A A H X S+ 0 0 59 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.868 109.3 52.9 -57.3 -39.7 45.3 25.0 -21.6 31 49 A H H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.830 106.8 52.1 -61.0 -37.7 41.5 25.0 -21.3 32 50 A L H < S+ 0 0 54 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.771 105.5 54.0 -76.5 -25.5 41.8 26.5 -17.8 33 51 A L H < S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.786 113.2 44.7 -67.7 -31.9 44.1 29.3 -19.1 34 52 A K H < S+ 0 0 126 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.1 0.854 128.4 26.2 -79.0 -40.1 41.4 30.1 -21.7 35 53 A Y >< + 0 0 79 -4,-2.3 3,-1.6 1,-0.1 -1,-0.3 -0.771 68.8 174.9-125.4 82.9 38.5 29.9 -19.2 36 54 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.772 81.6 46.3 -63.9 -23.6 39.9 30.7 -15.7 37 55 A D T 3 S+ 0 0 155 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.161 82.6 128.3-103.3 15.3 36.4 30.6 -14.0 38 56 A A < - 0 0 18 -3,-1.6 2,-1.1 -6,-0.2 -3,-0.0 -0.515 58.7-136.1 -73.6 137.2 35.2 27.4 -15.6 39 57 A Q - 0 0 156 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.779 30.5-159.1 -89.9 87.8 33.9 24.7 -13.3 40 58 A V - 0 0 31 -2,-1.1 2,-0.5 329,-0.1 329,-0.2 -0.523 9.6-161.6 -75.2 132.0 35.7 21.7 -14.9 41 59 A I E -a 369 0A 12 327,-2.1 329,-2.4 -2,-0.2 2,-0.7 -0.987 13.0-143.5-112.8 121.5 34.3 18.2 -14.2 42 60 A S E +a 370 0A 54 -2,-0.5 329,-0.1 327,-0.2 5,-0.1 -0.802 38.5 152.2 -93.2 110.5 36.7 15.3 -14.9 43 61 A L + 0 0 2 327,-2.5 345,-2.4 -2,-0.7 329,-0.3 -0.196 55.4 93.6-117.8 34.7 35.3 12.2 -16.4 44 62 A G S S+ 0 0 0 1,-0.2 328,-0.2 327,-0.2 344,-0.1 0.634 76.7 31.9 -90.0-116.4 38.6 11.4 -18.1 45 63 A I S S- 0 0 66 326,-0.2 2,-2.5 1,-0.2 -1,-0.2 -0.132 93.7-109.2 -39.2 136.7 41.1 9.1 -16.4 46 64 A G + 0 0 5 -3,-0.1 2,-0.5 343,-0.0 -1,-0.2 -0.360 59.3 158.6 -75.4 62.5 39.1 6.6 -14.3 47 65 A D - 0 0 39 -2,-2.5 2,-0.1 343,-0.2 205,-0.1 -0.761 40.8-120.9 -96.0 131.6 40.0 8.0 -10.9 48 66 A T - 0 0 3 -2,-0.5 441,-0.1 203,-0.2 440,-0.1 -0.364 24.4-174.5 -66.9 147.9 37.8 7.2 -7.9 49 67 A T + 0 0 39 342,-0.1 -1,-0.1 2,-0.1 343,-0.1 0.598 50.6 87.3-123.0 -18.6 36.3 10.2 -6.1 50 68 A E S S- 0 0 34 1,-0.1 437,-0.1 341,-0.1 432,-0.1 -0.546 85.2 -90.3 -91.2 151.6 34.5 8.9 -2.9 51 69 A P - 0 0 31 0, 0.0 430,-0.3 0, 0.0 -1,-0.1 -0.204 43.4-104.6 -55.4 146.7 36.1 8.3 0.5 52 70 A I - 0 0 2 428,-2.6 203,-0.1 430,-0.2 5,-0.1 -0.555 52.6 -92.1 -65.6 136.2 37.7 4.9 1.3 53 71 A P >> - 0 0 21 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.261 29.7-122.8 -51.5 141.5 35.4 3.1 3.6 54 72 A E H 3> S+ 0 0 147 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.810 110.1 62.9 -55.9 -37.4 36.2 3.6 7.3 55 73 A V H 3> S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.872 110.2 41.3 -57.8 -35.8 36.6 -0.1 7.9 56 74 A I H <> S+ 0 0 0 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.934 116.1 44.9 -79.4 -50.5 39.5 -0.0 5.5 57 75 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.835 108.6 59.1 -65.6 -30.3 41.2 3.2 6.5 58 76 A S H X S+ 0 0 60 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.904 105.2 49.9 -61.2 -41.6 40.8 2.2 10.2 59 77 A A H X S+ 0 0 26 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.872 111.2 48.8 -64.3 -37.8 42.9 -0.9 9.5 60 78 A X H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.932 112.1 47.3 -70.5 -42.4 45.6 1.1 7.8 61 79 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.919 111.5 52.1 -62.3 -42.0 45.8 3.7 10.6 62 80 A K H X S+ 0 0 134 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 110.2 48.1 -60.9 -43.1 46.0 0.9 13.1 63 81 A K H X S+ 0 0 50 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.909 109.7 53.2 -62.1 -42.9 48.8 -0.7 11.2 64 82 A A H >< S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.950 110.0 47.1 -58.6 -50.0 50.6 2.7 11.0 65 83 A H H >< S+ 0 0 81 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.875 107.2 58.1 -57.9 -42.6 50.4 3.1 14.8 66 84 A E H >< S+ 0 0 64 -4,-2.2 3,-1.6 1,-0.3 6,-0.4 0.765 92.2 68.6 -56.4 -32.7 51.6 -0.5 15.3 67 85 A L T << S+ 0 0 0 -4,-1.4 398,-2.5 -3,-0.8 -1,-0.3 0.647 95.7 56.3 -63.3 -13.4 54.8 0.4 13.4 68 86 A S T < S+ 0 0 22 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.319 96.2 79.4-101.9 10.4 55.8 2.6 16.4 69 87 A T S <> S- 0 0 47 -3,-1.6 4,-1.8 1,-0.1 396,-0.1 -0.872 80.5-129.2-113.9 149.4 55.5 -0.2 18.9 70 88 A I T 4 S+ 0 0 97 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.940 110.9 46.4 -58.2 -49.3 58.2 -2.9 19.6 71 89 A E T 4 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.796 119.9 37.7 -64.3 -34.5 55.6 -5.7 19.3 72 90 A G T 4 S+ 0 0 18 -6,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.576 86.0 113.1-100.9 -10.6 53.9 -4.3 16.1 73 91 A Y < - 0 0 26 -4,-1.8 2,-0.3 -3,-0.2 -6,-0.1 -0.383 40.7-179.9 -63.8 138.4 56.9 -3.0 14.1 74 92 A S - 0 0 43 594,-0.1 597,-0.4 389,-0.1 3,-0.1 -0.996 10.9-169.3-139.2 139.5 57.8 -4.8 10.9 75 93 A G + 0 0 9 1,-0.3 220,-0.1 -2,-0.3 -1,-0.1 0.469 63.2 2.5 -88.8-128.9 60.5 -4.3 8.3 76 94 A Y - 0 0 45 385,-0.1 -1,-0.3 595,-0.1 2,-0.2 -0.341 67.9-152.6 -56.4 135.3 60.8 -5.9 4.9 77 95 A G - 0 0 41 214,-0.4 2,-0.1 593,-0.3 5,-0.0 -0.615 42.0 -74.5 -93.1 169.2 57.8 -8.2 4.0 78 96 A A > - 0 0 58 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.501 46.1-128.0 -52.1 132.0 58.1 -11.2 1.7 79 97 A E T 3 S+ 0 0 26 1,-0.3 213,-0.2 -2,-0.1 214,-0.2 0.705 110.3 59.1 -67.4 -20.3 58.3 -9.4 -1.8 80 98 A Q T 3 S- 0 0 37 1,-0.2 26,-2.7 25,-0.1 -1,-0.3 0.528 122.4-101.8 -75.0 -11.6 55.4 -11.8 -2.9 81 99 A G < - 0 0 0 -3,-1.9 -1,-0.2 24,-0.2 -2,-0.1 -0.100 50.2 -42.1 105.4 157.3 53.3 -10.3 -0.1 82 100 A A >> - 0 0 42 1,-0.1 4,-2.4 -3,-0.1 3,-0.7 -0.225 53.3-127.2 -54.6 134.5 52.1 -11.2 3.4 83 101 A K H 3> S+ 0 0 146 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 108.6 52.8 -52.3 -48.5 51.0 -14.9 3.6 84 102 A P H 3> S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.783 110.8 48.9 -60.0 -27.0 47.6 -14.1 5.1 85 103 A L H <> S+ 0 0 1 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.897 111.0 48.1 -77.4 -42.6 47.0 -11.6 2.3 86 104 A R H X S+ 0 0 34 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.922 113.5 49.3 -59.6 -44.0 48.0 -14.1 -0.4 87 105 A A H X S+ 0 0 19 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.920 111.0 49.0 -59.9 -46.2 45.7 -16.6 1.3 88 106 A A H X S+ 0 0 19 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.893 113.1 46.9 -62.0 -44.3 42.8 -14.2 1.4 89 107 A I H X>S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.6 0.940 112.6 49.5 -60.8 -49.6 43.2 -13.2 -2.2 90 108 A A H X5S+ 0 0 2 -4,-2.7 4,-1.1 -5,-0.2 9,-0.2 0.898 118.7 39.0 -55.9 -45.0 43.4 -16.9 -3.3 91 109 A K H X5S+ 0 0 116 -4,-2.3 4,-1.1 3,-0.2 -2,-0.2 0.909 118.5 45.8 -69.1 -50.4 40.3 -17.8 -1.3 92 110 A T H <5S+ 0 0 57 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.898 128.6 19.9 -72.6 -42.6 38.2 -14.8 -2.0 93 111 A F H <5S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.655 136.4 29.2-103.8 -15.8 38.6 -14.4 -5.7 94 112 A Y H > - 0 0 23 -2,-0.5 3,-1.9 1,-0.1 4,-0.3 -0.576 29.6-109.7 -96.3 162.2 47.2 -21.8 -4.2 101 119 A D G > S+ 0 0 45 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.794 119.1 60.0 -59.8 -31.4 48.4 -18.9 -2.0 102 120 A D G 3 S+ 0 0 85 1,-0.2 -1,-0.3 3,-0.0 -15,-0.0 0.559 94.7 63.9 -76.5 -8.2 51.9 -19.4 -3.5 103 121 A D G < S+ 0 0 8 -3,-1.9 163,-2.1 -17,-0.1 2,-0.4 0.512 88.1 87.7 -85.8 -8.9 50.5 -18.6 -6.9 104 122 A V E < -B 265 0B 0 -3,-1.2 2,-0.5 -4,-0.3 161,-0.2 -0.794 57.1-168.3-100.1 132.9 49.5 -15.1 -5.8 105 123 A F E -B 264 0B 4 159,-2.7 159,-2.2 -2,-0.4 2,-0.3 -0.976 14.3-146.0-121.2 115.0 52.0 -12.2 -6.1 106 124 A V E +B 263 0B 2 -26,-2.7 187,-0.3 -2,-0.5 157,-0.3 -0.661 26.3 173.7 -84.9 131.0 51.0 -9.0 -4.3 107 125 A S E -B 262 0B 1 155,-2.3 155,-1.9 -2,-0.3 3,-0.1 -0.668 46.1-104.2-124.8-178.9 52.1 -5.7 -6.0 108 126 A D S S- 0 0 5 1,-0.3 153,-0.2 153,-0.3 2,-0.2 0.159 95.4 -29.8 -91.4 15.6 51.7 -1.9 -5.7 109 127 A G > - 0 0 0 151,-0.2 4,-1.8 139,-0.1 -1,-0.3 -0.573 57.6-102.3 142.8 153.5 49.3 -1.8 -8.6 110 128 A A H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 115.9 60.9 -71.6 -34.6 48.3 -3.5 -11.9 111 129 A K H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.916 108.4 43.1 -55.5 -47.9 50.0 -0.8 -14.0 112 130 A C H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 110.2 56.6 -69.1 -37.0 53.4 -1.6 -12.4 113 131 A D H X S+ 0 0 2 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.895 101.5 57.8 -59.9 -39.9 52.8 -5.4 -12.7 114 132 A I H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.942 109.9 44.0 -55.7 -47.9 52.2 -5.0 -16.5 115 133 A S H X S+ 0 0 15 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.886 112.7 50.1 -69.5 -37.9 55.7 -3.5 -16.8 116 134 A R H X S+ 0 0 16 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 110.9 50.1 -63.2 -44.0 57.4 -6.1 -14.5 117 135 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.895 110.3 52.1 -57.5 -37.8 55.7 -8.9 -16.5 118 136 A Q H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.883 106.6 51.4 -70.4 -37.8 57.1 -7.2 -19.6 119 137 A V H < S+ 0 0 16 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.934 112.8 47.9 -57.2 -44.5 60.6 -7.1 -18.2 120 138 A X H < S+ 0 0 0 -4,-2.2 302,-0.3 1,-0.2 -2,-0.2 0.929 111.0 48.0 -63.1 -48.2 60.2 -10.8 -17.5 121 139 A F H < S- 0 0 4 -4,-3.0 3,-0.3 -5,-0.1 -1,-0.2 0.897 103.1-159.0 -62.4 -40.7 58.9 -11.6 -21.0 122 140 A G >< - 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0 0 44 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.525 56.6-113.5 -70.2 129.6 60.4 -23.9 -17.2 277 295 A P B >> -I 271 0D 43 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.484 13.8-144.9 -70.5 130.8 57.6 -22.6 -15.0 278 296 A V H >> S+ 0 0 0 -8,-2.1 4,-2.0 -2,-0.3 3,-0.7 0.866 96.9 64.1 -58.6 -38.2 56.7 -18.9 -15.8 279 297 A A H 3> S+ 0 0 19 -9,-0.5 4,-2.0 -12,-0.4 -1,-0.3 0.779 95.6 59.2 -59.1 -29.9 56.0 -18.3 -12.1 280 298 A K H <> S+ 0 0 133 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.858 106.5 46.0 -68.8 -36.8 59.6 -19.0 -11.2 281 299 A D H - 0 0 7 -34,-0.4 4,-2.4 -35,-0.2 378,-0.2 -0.325 34.2-129.2 -54.5 136.0 53.6 -1.1 1.4 295 313 A N H > S+ 0 0 15 376,-2.8 4,-1.7 1,-0.2 377,-0.1 0.863 111.2 50.6 -54.0 -38.3 52.9 -2.9 4.7 296 314 A I H > S+ 0 0 0 2,-0.2 4,-1.8 375,-0.2 -1,-0.2 0.904 109.3 49.7 -68.7 -42.0 50.1 -0.4 5.4 297 315 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.889 109.8 52.1 -62.2 -39.4 48.5 -1.0 2.0 298 316 A Q H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.874 107.9 51.1 -66.3 -39.0 48.6 -4.7 2.6 299 317 A A H X S+ 0 0 24 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.854 109.9 50.3 -66.6 -35.4 46.8 -4.3 5.9 300 318 A G H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.943 111.2 48.2 -64.4 -45.6 44.1 -2.2 4.2 301 319 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.897 108.5 54.3 -63.8 -38.9 43.7 -5.0 1.5 302 320 A L H >< S+ 0 0 63 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.924 106.9 51.3 -62.9 -40.4 43.5 -7.6 4.2 303 321 A A H 3< S+ 0 0 15 -4,-1.8 6,-0.4 1,-0.2 3,-0.3 0.767 103.7 59.8 -64.2 -29.6 40.7 -5.6 5.9 304 322 A C H 3< S+ 0 0 0 -4,-1.4 2,-1.3 -3,-0.3 -1,-0.2 0.843 93.6 66.1 -64.6 -34.9 38.9 -5.5 2.5 305 323 A L S << S+ 0 0 19 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.1 -0.458 87.3 86.3 -94.1 60.1 38.7 -9.3 2.3 306 324 A T S > S- 0 0 49 -2,-1.3 4,-3.1 -3,-0.3 5,-0.3 -0.894 96.1 -93.6-146.1 162.5 36.3 -9.7 5.3 307 325 A P H > S+ 0 0 119 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.944 127.4 41.8 -50.7 -48.6 32.5 -9.6 5.6 308 326 A E H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 115.7 49.7 -67.6 -40.4 32.6 -5.9 6.5 309 327 A G H > S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.925 112.2 47.7 -61.5 -45.7 35.2 -5.0 3.9 310 328 A L H X S+ 0 0 66 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.864 111.3 50.2 -67.0 -36.0 33.3 -6.9 1.2 311 329 A E H X S+ 0 0 120 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.908 110.1 51.0 -66.5 -43.9 30.1 -5.2 2.1 312 330 A A H X S+ 0 0 8 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.916 110.8 48.8 -59.8 -41.8 31.8 -1.8 2.0 313 331 A X H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.890 108.5 52.9 -67.5 -36.1 33.2 -2.5 -1.5 314 332 A H H X S+ 0 0 148 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.896 109.1 50.2 -63.3 -39.8 29.8 -3.6 -2.8 315 333 A K H X S+ 0 0 131 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 113.4 45.2 -66.7 -43.5 28.2 -0.4 -1.6 316 334 A V H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.945 114.5 46.9 -64.4 -51.9 30.9 1.7 -3.3 317 335 A I H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 111.1 54.6 -56.1 -43.3 30.8 -0.2 -6.6 318 336 A G H X S+ 0 0 34 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.860 105.2 52.3 -60.0 -40.0 27.0 0.1 -6.4 319 337 A F H X S+ 0 0 53 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.942 111.8 45.2 -60.9 -47.7 27.3 3.8 -6.1 320 338 A Y H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.847 108.2 58.4 -69.9 -30.0 29.5 4.1 -9.2 321 339 A K H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.879 106.2 48.2 -64.3 -35.4 27.2 1.6 -11.1 322 340 A E H X S+ 0 0 93 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.900 107.6 55.2 -76.1 -34.9 24.3 4.0 -10.6 323 341 A N H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 108.0 50.4 -53.5 -45.9 26.4 6.9 -11.8 324 342 A T H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.922 106.6 53.7 -63.6 -39.9 27.0 4.8 -14.9 325 343 A N H X S+ 0 0 63 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.864 106.4 53.0 -56.2 -43.1 23.3 4.2 -15.4 326 344 A I H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.923 112.2 45.5 -58.3 -45.4 22.7 8.0 -15.2 327 345 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.906 112.5 49.9 -65.7 -46.3 25.3 8.5 -18.0 328 346 A I H X S+ 0 0 32 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.951 112.1 48.2 -52.7 -53.4 23.9 5.6 -20.1 329 347 A D H X S+ 0 0 105 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.877 109.5 54.7 -60.6 -39.9 20.4 7.1 -19.8 330 348 A T H X S+ 0 0 8 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.954 113.0 38.9 -56.3 -55.9 21.7 10.5 -20.7 331 349 A F H <>S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 -2,-0.2 0.871 116.0 51.2 -69.5 -35.0 23.3 9.5 -24.0 332 350 A T H ><5S+ 0 0 67 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.2 0.925 107.6 54.0 -65.1 -42.5 20.6 7.1 -25.0 333 351 A S H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.8 53.0 -57.0 -35.4 18.0 9.9 -24.4 334 352 A L T 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.389 122.9-106.0 -82.7 -0.0 20.1 12.1 -26.8 335 353 A G T < 5S+ 0 0 33 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.511 73.1 136.4 87.1 7.8 20.0 9.4 -29.6 336 354 A Y < - 0 0 19 -5,-2.2 2,-0.6 75,-0.1 -1,-0.3 -0.551 59.7-115.9 -81.9 152.2 23.6 8.1 -29.4 337 355 A D - 0 0 94 13,-0.4 13,-2.7 -2,-0.2 2,-0.5 -0.783 37.5-168.5 -82.1 120.4 24.6 4.5 -29.5 338 356 A V E -J 349 0E 28 -2,-0.6 2,-0.2 11,-0.2 11,-0.2 -0.961 4.6-170.5-120.1 127.3 26.2 3.9 -26.1 339 357 A Y E +J 348 0E 65 9,-2.7 9,-3.0 -2,-0.5 -145,-0.0 -0.707 51.3 16.3-109.6 166.3 28.2 0.8 -25.4 340 358 A G E +J 347 0E 27 -2,-0.2 7,-0.2 7,-0.2 2,-0.2 -0.339 66.0 112.8 69.3-154.4 29.5 -0.6 -22.2 341 359 A G + 0 0 3 5,-1.4 -1,-0.1 1,-0.1 6,-0.1 0.058 66.1 81.3 78.8 -26.3 28.2 0.7 -18.9 342 360 A K S S+ 0 0 113 -2,-0.2 -1,-0.1 1,-0.2 -147,-0.1 0.922 108.6 17.1 -78.4 -42.4 26.5 -2.6 -18.0 343 361 A N S S+ 0 0 9 -149,-0.4 -118,-0.2 -117,-0.2 -1,-0.2 0.114 126.1 44.9-115.7 19.2 29.6 -4.4 -16.6 344 362 A A S S- 0 0 0 2,-0.2 2,-1.1 -3,-0.1 -121,-0.0 -0.987 81.9-109.2-165.6 149.3 32.0 -1.5 -16.0 345 363 A P S S+ 0 0 0 0, 0.0 44,-2.6 0, 0.0 45,-0.4 -0.238 94.7 58.6 -88.5 47.0 32.1 2.0 -14.5 346 364 A Y E S- K 0 388E 3 -2,-1.1 -5,-1.4 42,-0.3 2,-0.4 -0.957 71.3-133.1-161.3 158.6 32.5 3.9 -17.8 347 365 A V E -JK 340 387E 1 40,-2.3 40,-2.7 -2,-0.3 2,-0.7 -0.923 6.9-143.5-122.1 152.6 30.6 4.2 -21.1 348 366 A W E -JK 339 386E 1 -9,-3.0 -9,-2.7 -2,-0.4 2,-0.4 -0.902 22.9-163.8-120.2 99.5 31.8 4.0 -24.6 349 367 A V E -JK 338 385E 0 36,-2.6 36,-1.8 -2,-0.7 2,-0.5 -0.715 14.2-131.5 -98.3 133.7 29.9 6.4 -26.7 350 368 A H E + K 0 384E 40 -13,-2.7 -13,-0.4 -2,-0.4 34,-0.2 -0.710 26.0 173.4 -87.4 123.9 29.9 6.2 -30.6 351 369 A F > - 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0 0 0 -2,-0.5 -327,-0.2 -11,-0.1 16,-0.2 -0.525 37.9-103.1-119.7-171.3 75.3 -12.9 8.2 785 390 B T E -X 799 0J 0 14,-2.4 14,-3.1 -329,-0.3 2,-0.2 -0.980 27.8-128.4-124.9 123.7 75.8 -12.2 4.5 786 391 B P E > -X 798 0J 0 0, 0.0 3,-1.8 0, 0.0 12,-0.2 -0.484 15.9-133.6 -71.7 136.0 78.6 -13.9 2.6 787 392 B G G > S+ 0 0 0 10,-2.7 3,-2.5 1,-0.3 7,-0.5 0.803 101.5 68.7 -63.7 -32.2 80.8 -11.4 0.7 788 393 B S G > S+ 0 0 31 9,-0.4 3,-1.6 6,-0.3 -1,-0.3 0.728 85.5 73.8 -59.9 -18.7 80.8 -13.4 -2.5 789 394 B G G < S+ 0 0 17 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.708 94.5 51.7 -60.9 -22.5 77.1 -12.5 -2.6 790 395 B F G < S- 0 0 5 -3,-2.5 -244,-2.3 1,-0.4 -1,-0.3 0.169 128.2 -77.0-103.0 14.6 78.3 -9.0 -3.6 791 396 B G X - 0 0 19 -3,-1.6 3,-1.2 -246,-0.2 -1,-0.4 -0.404 64.0 -52.6 113.2 171.5 80.5 -10.2 -6.4 792 397 B P G > S+ 0 0 24 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.839 129.3 60.1 -56.3 -35.4 83.9 -11.8 -6.9 793 398 B G G 3 S+ 0 0 8 1,-0.3 -5,-0.1 -3,-0.2 -2,-0.1 0.592 91.6 81.6 -75.3 -8.5 85.7 -9.2 -4.7 794 399 B G G X + 0 0 0 -3,-1.2 3,-1.4 -7,-0.5 -6,-0.3 0.436 65.5 125.5 83.6-101.9 83.5 -10.5 -2.6 795 400 B E T < S- 0 0 90 -3,-2.0 -27,-0.1 1,-0.3 3,-0.1 -0.248 76.9 -4.2 -75.2 152.1 85.3 -13.6 -1.5 796 401 B G T 3 S+ 0 0 9 -29,-0.6 -32,-1.7 1,-0.2 2,-0.3 0.359 98.0 103.7 -96.0 100.6 85.9 -14.4 1.4 797 402 B F E < -W 763 0J 16 -3,-1.4 -10,-2.7 -34,-0.2 -9,-0.4 -0.890 53.6-145.2-120.2 159.0 84.7 -11.5 3.4 798 403 B V E -WX 762 786J 0 -36,-2.6 -36,-2.8 -2,-0.3 2,-0.5 -0.997 5.1-140.2-124.6 140.6 81.5 -11.5 5.4 799 404 B R E -WX 761 785J 4 -14,-3.1 -14,-2.4 -2,-0.4 2,-0.5 -0.838 13.5-165.3 -93.6 131.7 79.1 -8.6 6.0 800 405 B V E -W 760 0J 0 -40,-2.6 -40,-2.2 -2,-0.5 -343,-0.2 -0.972 14.3-139.8-117.6 119.2 77.5 -8.3 9.4 801 406 B S E -W 759 0J 2 -345,-2.6 -42,-0.3 -2,-0.5 -343,-0.1 -0.446 3.7-152.1 -75.9 148.1 74.5 -5.9 9.7 802 407 B A + 0 0 0 -44,-2.7 2,-0.5 -2,-0.1 -43,-0.1 0.397 60.4 113.8 -99.3 -1.2 74.1 -3.7 12.7 803 408 B F + 0 0 1 -45,-0.4 2,-0.2 -67,-0.1 -343,-0.2 -0.630 46.2 92.3 -74.7 121.8 70.4 -3.5 12.6 804 409 B G S S- 0 0 4 -2,-0.5 -342,-0.1 -348,-0.1 -341,-0.1 -0.848 80.9 -69.7 168.8 155.3 68.8 -5.2 15.6 805 410 B H > - 0 0 66 -2,-0.2 4,-1.8 1,-0.1 3,-0.4 -0.313 54.5-111.4 -51.5 149.0 67.5 -4.6 19.2 806 411 B R H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 116.9 52.6 -55.9 -45.4 70.5 -3.8 21.5 807 412 B E H > S+ 0 0 140 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 108.6 50.3 -62.5 -35.3 70.1 -7.1 23.4 808 413 B N H > S+ 0 0 68 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.841 110.5 49.1 -72.7 -34.1 70.2 -9.1 20.2 809 414 B I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 114.2 46.0 -67.8 -46.3 73.3 -7.3 19.0 810 415 B L H X S+ 0 0 71 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.934 114.6 47.3 -59.9 -48.1 75.0 -8.0 22.4 811 416 B E H X S+ 0 0 54 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.924 111.8 50.4 -60.1 -46.6 73.8 -11.6 22.4 812 417 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.922 111.6 48.9 -57.7 -43.2 75.0 -12.1 18.8 813 418 B C H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.888 108.9 51.0 -67.9 -37.9 78.4 -10.6 19.7 814 419 B R H X S+ 0 0 122 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.888 109.5 52.4 -67.1 -33.1 78.8 -12.8 22.8 815 420 B R H X S+ 0 0 33 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 109.5 48.5 -62.4 -45.4 78.0 -15.8 20.6 816 421 B F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 111.8 50.1 -61.2 -41.8 80.7 -14.8 18.1 817 422 B K H X S+ 0 0 93 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.952 110.3 49.4 -63.1 -47.7 83.2 -14.3 21.0 818 423 B Q H < S+ 0 0 116 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.920 114.9 45.5 -55.4 -47.7 82.4 -17.8 22.4 819 424 B L H < S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 123.4 30.2 -61.5 -46.6 82.9 -19.4 19.0 820 425 B Y H < S+ 0 0 34 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.419 92.7 85.8-101.0 2.1 86.1 -17.6 18.0 821 426 B K < 0 0 125 -4,-1.4 -1,-0.1 1,-0.3 -3,-0.1 0.738 360.0 360.0 -89.1 -30.8 88.2 -16.9 21.2 822 427 B H 0 0 181 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.588 360.0 360.0 14.3 360.0 89.7 -19.9 21.3