==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 23-MAY-13 4KVW . COMPND 2 MOLECULE: ARISTOLOCHENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS TERREUS; . AUTHOR M.CHEN,N.AL-LAMI,M.JANVIER,E.L.D'ANTONIO,J.A.FARALDOS,D.E.CA . 1216 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 921 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 26 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 736 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.6 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 4 1 3 0 5 3 8 4 4 0 0 4 8 7 5 0 0 1 0 3 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A L 0 0 93 0, 0.0 243,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 57.3 -19.7 3.0 2 9 A E - 0 0 173 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.751 360.0-135.0 -88.5 113.7 57.4 -23.2 1.7 3 10 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 245,-0.0 -0.430 22.1-112.5 -68.1 137.7 58.9 -25.6 4.2 4 11 A P - 0 0 29 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.259 51.2 -73.5 -61.6 157.4 61.6 -28.1 3.0 5 12 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.236 53.4-171.3 -56.5 138.3 60.6 -31.8 3.0 6 13 A S - 0 0 48 -3,-0.1 249,-0.0 2,-0.1 284,-0.0 -0.979 26.5-154.8-132.1 146.8 60.5 -33.5 6.4 7 14 A T + 0 0 104 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.463 65.3 109.9 -95.5 -4.8 60.1 -37.2 7.3 8 15 A F - 0 0 16 1,-0.0 -2,-0.1 278,-0.0 279,-0.0 -0.540 58.1-151.4 -74.8 133.0 58.6 -36.3 10.7 9 16 A Q - 0 0 129 -2,-0.3 282,-0.1 2,-0.0 2,-0.1 -0.917 16.2-139.6-105.1 107.2 54.9 -37.1 11.2 10 17 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 277,-0.1 -0.414 18.3-160.2 -65.5 138.0 53.5 -34.6 13.8 11 18 A L - 0 0 62 42,-0.4 2,-0.4 276,-0.2 46,-0.1 -0.925 4.1-153.7-120.6 146.3 51.0 -36.1 16.3 12 19 A C - 0 0 49 -2,-0.3 41,-0.2 44,-0.1 40,-0.1 -0.956 29.8-103.3-120.7 140.3 48.4 -34.4 18.4 13 20 A H > - 0 0 3 39,-1.6 3,-1.6 -2,-0.4 44,-0.1 -0.381 28.9-131.0 -59.8 131.7 46.9 -35.6 21.7 14 21 A P T 3 S+ 0 0 98 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.719 104.4 57.3 -60.1 -24.8 43.4 -37.1 21.2 15 22 A L T 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.092 70.1 118.5 -94.9 23.7 41.9 -35.0 24.0 16 23 A V H <> S+ 0 0 22 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.855 71.9 50.9 -59.7 -38.0 43.0 -31.7 22.5 17 24 A E H > S+ 0 0 146 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.914 114.6 40.5 -69.4 -44.5 39.5 -30.4 22.1 18 25 A E H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 117.3 47.5 -70.7 -43.7 38.3 -31.0 25.6 19 26 A V H X S+ 0 0 8 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.874 109.8 53.6 -68.2 -37.3 41.5 -30.0 27.3 20 27 A S H X S+ 0 0 19 -4,-1.9 4,-2.7 -5,-0.3 5,-0.4 0.922 110.0 47.4 -61.2 -45.5 41.7 -26.8 25.3 21 28 A K H X S+ 0 0 172 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.913 115.4 46.5 -61.6 -44.0 38.2 -25.8 26.3 22 29 A E H X S+ 0 0 86 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.943 118.2 39.2 -63.3 -51.3 39.0 -26.6 29.9 23 30 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.909 116.8 48.3 -72.6 -44.3 42.4 -24.7 30.1 24 31 A D H X S+ 0 0 19 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.921 111.8 52.3 -58.0 -44.1 41.4 -21.7 28.0 25 32 A G H X S+ 0 0 35 -4,-1.9 4,-1.1 -5,-0.4 -1,-0.2 0.839 106.8 53.3 -62.0 -35.8 38.2 -21.4 30.1 26 33 A Y H X S+ 0 0 46 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.951 112.4 42.7 -62.9 -50.6 40.3 -21.4 33.3 27 34 A F H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.826 109.8 56.7 -69.3 -32.1 42.6 -18.6 32.1 28 35 A L H < S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.797 113.1 43.6 -66.4 -27.0 39.6 -16.6 30.7 29 36 A Q H < S+ 0 0 157 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.851 129.3 22.0 -83.8 -37.8 38.1 -16.8 34.2 30 37 A H H < S+ 0 0 55 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.834 99.2 86.9-104.4 -40.3 41.3 -16.0 36.3 31 38 A W S < S- 0 0 26 -4,-1.9 2,-1.0 -5,-0.3 41,-0.0 -0.316 76.2-119.3 -70.7 148.7 43.8 -14.2 34.1 32 39 A N - 0 0 121 -2,-0.0 -1,-0.1 2,-0.0 -4,-0.1 -0.732 32.9-174.9 -93.7 96.1 43.7 -10.4 33.8 33 40 A F - 0 0 20 -2,-1.0 3,-0.1 -5,-0.2 6,-0.0 -0.701 26.2-137.4 -90.6 141.0 43.2 -9.4 30.2 34 41 A P S S- 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.842 77.9 -18.2 -64.8 -35.7 43.3 -5.7 29.2 35 42 A N S > S- 0 0 87 1,-0.1 4,-1.4 -3,-0.0 3,-0.4 -0.946 72.1 -87.2-159.9 179.2 40.3 -6.0 26.9 36 43 A E H > S+ 0 0 114 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.846 121.0 60.6 -65.0 -34.4 38.0 -8.2 24.9 37 44 A K H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 104.6 48.8 -59.5 -38.3 40.4 -8.0 21.9 38 45 A A H > S+ 0 0 24 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.836 107.9 54.3 -72.3 -32.9 43.1 -9.6 24.1 39 46 A R H X S+ 0 0 71 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.873 109.8 47.2 -67.8 -38.2 40.8 -12.3 25.2 40 47 A K H X S+ 0 0 132 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.915 111.6 50.8 -65.8 -44.7 40.0 -13.2 21.6 41 48 A K H X S+ 0 0 109 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.836 107.3 54.6 -63.2 -34.9 43.7 -13.1 20.7 42 49 A F H X S+ 0 0 8 -4,-1.9 4,-0.8 2,-0.2 5,-0.5 0.928 112.4 41.6 -64.1 -47.8 44.5 -15.4 23.6 43 50 A V H >< S+ 0 0 68 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.882 110.5 59.0 -65.8 -38.5 42.0 -18.1 22.4 44 51 A A H 3< S+ 0 0 41 -4,-2.6 256,-0.9 1,-0.2 257,-0.2 0.791 96.7 62.2 -62.0 -30.0 43.2 -17.5 18.8 45 52 A A H 3< S- 0 0 5 -4,-1.3 -1,-0.2 -3,-0.3 256,-0.2 0.856 93.0-146.4 -66.0 -36.5 46.7 -18.5 19.8 46 53 A G S+ 0 0 4 -5,-0.5 4,-0.9 1,-0.2 -4,-0.1 0.764 79.5 49.2 -68.8 -27.1 48.2 -22.5 23.7 48 55 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.737 104.6 60.6 -81.8 -24.1 46.7 -25.9 24.6 49 56 A R H > S+ 0 0 90 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.897 105.3 46.1 -68.6 -41.8 46.9 -27.0 21.0 50 57 A V H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.852 110.7 54.1 -69.2 -33.4 50.6 -26.6 20.8 51 58 A T H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.886 109.0 48.0 -66.0 -39.0 51.0 -28.4 24.1 52 59 A C H < S+ 0 0 0 -4,-1.8 -39,-1.6 1,-0.2 -1,-0.2 0.748 113.1 48.5 -73.5 -25.3 49.0 -31.3 22.7 53 60 A L H < S+ 0 0 2 -4,-1.3 -42,-0.4 -41,-0.2 238,-0.3 0.762 112.4 49.7 -80.2 -29.0 51.2 -31.3 19.6 54 61 A Y H < S+ 0 0 17 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.883 126.3 23.8 -74.9 -41.0 54.3 -31.1 21.9 55 62 A F >< + 0 0 1 -4,-2.3 3,-1.6 -5,-0.1 -1,-0.2 -0.560 69.0 157.4-127.1 67.4 53.3 -34.1 24.1 56 63 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.669 77.2 50.2 -70.4 -16.4 50.8 -36.2 22.0 57 64 A K T 3 S+ 0 0 96 -3,-0.1 3,-0.1 -44,-0.1 2,-0.1 0.061 79.7 132.8-110.0 24.5 51.5 -39.3 24.1 58 65 A A < - 0 0 6 -3,-1.6 121,-0.3 -6,-0.1 5,-0.1 -0.399 69.6 -92.4 -66.0 150.2 51.0 -37.7 27.4 59 66 A L >> - 0 0 72 119,-3.5 3,-1.8 1,-0.1 4,-1.5 -0.362 34.6-117.8 -63.7 146.6 48.7 -39.6 29.9 60 67 A D T 34 S+ 0 0 100 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.798 112.7 46.0 -59.5 -32.2 45.1 -38.6 29.6 61 68 A D T 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.199 116.6 44.7 -98.0 16.6 44.9 -37.3 33.2 62 69 A R T X> S+ 0 0 20 -3,-1.8 4,-1.1 116,-0.2 3,-0.8 0.509 85.8 83.8-131.2 -17.2 48.2 -35.4 33.0 63 70 A I H 3X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 5,-0.1 0.828 85.9 61.1 -61.9 -31.7 48.0 -33.5 29.7 64 71 A H H 3> S+ 0 0 39 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.803 97.9 57.9 -68.7 -29.1 46.0 -30.7 31.3 65 72 A F H <> S+ 0 0 12 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.929 107.5 46.9 -62.4 -45.6 48.9 -29.9 33.7 66 73 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 5,-0.3 0.879 110.5 52.9 -65.5 -38.4 51.2 -29.3 30.8 67 74 A C H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.892 110.5 47.4 -63.1 -42.1 48.7 -27.1 29.0 68 75 A R H X S+ 0 0 41 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 113.1 48.7 -65.9 -42.1 48.2 -25.0 32.1 69 76 A L H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.932 114.5 42.8 -66.2 -48.1 52.0 -24.6 32.7 70 77 A L H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.859 112.3 55.4 -68.4 -34.9 52.9 -23.7 29.1 71 78 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.936 109.3 44.7 -62.9 -49.3 49.9 -21.3 28.8 72 79 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.840 113.5 51.4 -66.1 -31.1 50.8 -19.2 31.8 73 80 A L H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.830 107.1 53.5 -75.1 -31.7 54.5 -19.1 30.7 74 81 A F H X S+ 0 0 38 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.928 110.8 47.0 -61.9 -46.7 53.3 -17.9 27.2 75 82 A L H X S+ 0 0 16 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.898 113.6 47.0 -63.7 -44.0 51.4 -15.1 28.9 76 83 A I H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 106.0 60.0 -63.7 -41.1 54.3 -14.2 31.2 77 84 A D H < S+ 0 0 49 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.854 107.9 45.3 -55.8 -36.8 56.7 -14.3 28.1 78 85 A D H >< S+ 0 0 47 -4,-1.4 3,-0.9 1,-0.2 4,-0.3 0.853 109.0 55.5 -75.9 -36.3 54.6 -11.6 26.5 79 86 A L H >< S+ 0 0 66 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.842 99.3 61.3 -63.2 -35.5 54.4 -9.5 29.7 80 87 A L G >< S+ 0 0 15 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.674 87.2 74.6 -69.3 -17.0 58.2 -9.4 30.0 81 88 A E G < S+ 0 0 28 -3,-0.9 141,-1.8 -4,-0.3 -1,-0.3 0.728 96.7 47.8 -68.0 -22.1 58.5 -7.6 26.6 82 89 A Y G < S+ 0 0 157 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.236 104.4 77.9-102.6 12.6 57.3 -4.3 28.2 83 90 A M S < S- 0 0 36 -3,-1.3 142,-0.8 139,-0.1 141,-0.2 -0.783 80.4-113.6-115.7 161.2 59.7 -4.6 31.2 84 91 A S > - 0 0 21 -2,-0.3 4,-2.9 140,-0.2 5,-0.2 -0.345 39.7-100.8 -78.9 172.2 63.4 -3.9 31.6 85 92 A F H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 126.5 48.1 -60.1 -38.7 65.8 -6.7 32.3 86 93 A E H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 114.6 43.4 -69.2 -45.7 65.7 -5.7 36.0 87 94 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 114.3 51.2 -66.7 -41.0 61.9 -5.5 36.2 88 95 A G H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.886 109.9 49.5 -65.0 -40.7 61.5 -8.7 34.3 89 96 A S H X S+ 0 0 43 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.920 110.2 50.9 -62.1 -45.8 63.9 -10.5 36.6 90 97 A A H X S+ 0 0 64 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.875 109.8 51.4 -60.3 -39.1 62.0 -9.1 39.6 91 98 A Y H X S+ 0 0 53 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.944 115.5 40.0 -62.7 -50.7 58.8 -10.4 38.2 92 99 A N H >X S+ 0 0 3 -4,-2.2 3,-1.0 1,-0.2 4,-0.8 0.888 110.2 57.6 -66.7 -42.1 60.1 -13.9 37.6 93 100 A E H 3< S+ 0 0 67 -4,-3.0 3,-0.2 1,-0.3 -1,-0.2 0.763 101.5 57.2 -63.9 -25.8 62.0 -14.2 40.8 94 101 A K H 3X S+ 0 0 118 -4,-1.1 4,-0.6 -3,-0.3 -1,-0.3 0.772 104.9 52.2 -74.2 -26.0 58.9 -13.5 42.8 95 102 A L H >S+ 0 0 42 0, 0.0 5,-1.9 0, 0.0 6,-1.2 0.846 116.4 53.8 -65.7 -28.0 59.4 -19.5 45.7 98 105 A I H <5S+ 0 0 3 -4,-0.6 -2,-0.2 2,-0.2 3,-0.2 0.883 105.7 52.1 -68.6 -39.3 55.7 -19.6 44.9 99 106 A S H <5S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.871 108.9 50.6 -63.0 -38.5 56.3 -22.3 42.3 100 107 A R H <5S- 0 0 81 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.747 113.1-122.7 -69.0 -25.1 58.2 -24.3 45.0 101 108 A G T <5S+ 0 0 20 -4,-0.9 -3,-0.2 2,-0.2 -2,-0.1 0.559 81.7 117.9 89.3 10.5 55.2 -23.8 47.3 102 109 A D S - 0 0 73 -2,-0.2 3,-2.3 1,-0.1 7,-0.5 -0.768 26.7-154.8 -77.2 110.5 48.7 -13.0 46.9 107 114 A R T 3 S+ 0 0 140 -2,-0.9 -1,-0.1 1,-0.3 -3,-0.0 0.499 90.9 64.3 -73.4 -1.6 45.2 -14.1 45.8 108 115 A S T 3 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.524 93.9 71.2 -90.1 -9.8 44.5 -10.6 44.5 109 116 A I S X> S- 0 0 58 -3,-2.3 4,-1.6 1,-0.2 3,-0.9 -0.904 71.5-159.0-112.9 104.3 47.2 -11.2 41.9 110 117 A P H 3> S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.851 89.4 53.4 -47.4 -51.5 46.2 -13.8 39.3 111 118 A V H 3> S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.834 108.8 51.9 -59.4 -32.5 49.7 -14.8 38.1 112 119 A E H <> S+ 0 0 12 -3,-0.9 4,-2.0 -6,-0.3 -1,-0.2 0.934 115.3 36.6 -72.0 -46.6 50.7 -15.6 41.7 113 120 A Y H X S+ 0 0 33 -4,-1.6 4,-2.8 -7,-0.5 5,-0.3 0.794 113.9 56.8 -80.3 -26.7 47.8 -17.9 42.7 114 121 A I H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.935 112.0 43.5 -63.8 -45.6 47.6 -19.5 39.2 115 122 A I H X S+ 0 0 5 -4,-1.6 4,-2.1 -5,-0.3 5,-0.2 0.922 116.6 47.2 -63.7 -46.5 51.3 -20.5 39.6 116 123 A Y H X S+ 0 0 38 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.951 114.0 44.7 -61.7 -52.6 50.8 -21.6 43.2 117 124 A D H X S+ 0 0 50 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.841 112.7 53.7 -62.9 -35.2 47.7 -23.7 42.6 118 125 A L H X S+ 0 0 8 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.979 111.1 41.9 -63.3 -59.6 49.1 -25.3 39.5 119 126 A W H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.832 113.9 54.1 -60.6 -34.3 52.4 -26.5 41.0 120 127 A E H X S+ 0 0 78 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.912 109.9 47.2 -63.0 -43.1 50.5 -27.7 44.1 121 128 A S H X S+ 0 0 43 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.826 111.4 51.8 -68.2 -32.6 48.1 -29.7 41.9 122 129 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 8,-0.2 0.886 110.3 46.9 -72.1 -40.8 51.1 -31.2 40.0 123 130 A R H < S+ 0 0 22 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.783 108.3 57.6 -69.9 -27.9 52.9 -32.3 43.2 124 131 A A H < S+ 0 0 87 -4,-1.5 3,-0.2 2,-0.2 -1,-0.2 0.848 112.4 40.3 -69.7 -33.6 49.6 -33.8 44.4 125 132 A H H < S- 0 0 73 -4,-1.2 2,-0.2 1,-0.2 -2,-0.2 0.930 142.3 -3.1 -80.2 -50.6 49.4 -36.0 41.3 126 133 A D X - 0 0 31 -4,-2.5 4,-1.9 -5,-0.1 -1,-0.2 -0.739 65.4-177.6-147.4 94.1 53.0 -36.9 41.0 127 134 A R H > S+ 0 0 157 -4,-0.4 4,-1.9 -2,-0.2 5,-0.2 0.902 81.3 48.1 -61.8 -48.0 55.3 -35.3 43.6 128 135 A E H > S+ 0 0 84 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.905 116.6 41.1 -63.8 -43.9 58.6 -36.8 42.4 129 136 A M H 4 S+ 0 0 3 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.790 112.0 56.0 -77.6 -27.2 58.2 -36.0 38.8 130 137 A A H >X S+ 0 0 0 -4,-1.9 3,-1.4 -8,-0.2 4,-0.6 0.895 104.8 52.9 -68.6 -40.3 56.7 -32.5 39.4 131 138 A D H >X S+ 0 0 54 -4,-1.9 3,-0.7 1,-0.3 4,-0.6 0.797 99.7 63.2 -65.2 -30.1 59.7 -31.5 41.5 132 139 A E H 3< S+ 0 0 90 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.519 98.8 55.7 -75.5 -4.9 62.1 -32.5 38.6 133 140 A I H <> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.2 -1,-0.2 0.668 89.9 79.5 -94.1 -21.5 60.5 -29.8 36.5 134 141 A L H S+ 0 0 16 0, 0.0 4,-1.3 0, 0.0 34,-0.5 0.850 110.9 48.4 -60.7 -31.6 64.5 -26.6 34.5 137 144 A V H X S+ 0 0 2 -4,-1.8 4,-2.5 -3,-0.4 -2,-0.2 0.918 110.9 48.1 -71.2 -45.4 61.7 -24.0 34.7 138 145 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.844 108.1 56.7 -64.7 -34.0 63.7 -21.6 36.8 139 146 A L H X S+ 0 0 60 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.898 110.1 44.7 -61.5 -42.6 66.6 -22.0 34.4 140 147 A F H X S+ 0 0 18 -4,-1.3 4,-1.1 2,-0.2 3,-0.3 0.905 111.5 52.3 -67.0 -44.3 64.4 -20.9 31.6 141 148 A M H < S+ 0 0 5 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.884 110.4 47.5 -63.0 -40.2 62.9 -18.0 33.5 142 149 A R H < S+ 0 0 102 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.702 106.0 59.1 -75.3 -20.1 66.3 -16.6 34.4 143 150 A A H >< S+ 0 0 4 -4,-0.9 3,-1.3 -3,-0.3 -1,-0.2 0.766 91.8 70.5 -76.4 -24.8 67.5 -16.9 30.8 144 151 A Q T 3< S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.769 108.8 32.5 -64.0 -27.5 64.6 -14.6 29.7 145 152 A T T 3 S+ 0 0 20 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.081 84.3 144.0-117.5 21.1 66.3 -11.6 31.3 146 153 A D X - 0 0 56 -3,-1.3 3,-1.8 1,-0.1 4,-0.1 -0.404 54.0-132.9 -61.4 134.3 69.9 -12.6 30.8 147 154 A R G > S+ 0 0 120 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.625 97.8 81.6 -66.8 -13.1 72.1 -9.6 30.0 148 155 A T G > S+ 0 0 24 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.668 76.6 72.5 -66.2 -15.2 73.7 -11.5 27.1 149 156 A R G < S+ 0 0 36 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.699 94.1 53.4 -70.3 -19.5 70.6 -10.5 25.1 150 157 A A G < S+ 0 0 58 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.292 100.0 77.1 -98.6 6.7 72.0 -6.9 25.1 151 158 A R S < S- 0 0 145 -3,-1.2 2,-0.1 -4,-0.1 0, 0.0 -0.913 92.3-100.9-116.2 146.0 75.3 -8.1 23.7 152 159 A P - 0 0 134 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.418 44.0-165.7 -64.8 135.8 76.0 -9.1 20.0 153 160 A M - 0 0 41 -2,-0.1 2,-0.1 -4,-0.1 -4,-0.0 -0.929 15.9-135.2-125.9 148.6 76.1 -12.9 19.5 154 161 A G > - 0 0 28 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.357 40.5 -97.7 -84.4 177.2 77.2 -15.2 16.8 155 162 A L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 123.4 46.7 -63.8 -44.9 75.1 -18.1 15.6 156 163 A G H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 113.8 47.1 -64.5 -45.1 76.9 -20.7 17.8 157 164 A G H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 111.8 52.0 -65.1 -36.3 76.8 -18.5 20.9 158 165 A Y H X S+ 0 0 0 -4,-2.1 4,-4.0 2,-0.2 5,-0.2 0.945 107.9 49.6 -64.4 -50.2 73.1 -17.7 20.4 159 166 A L H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.824 109.5 53.1 -61.1 -33.3 72.1 -21.4 20.1 160 167 A E H < S+ 0 0 106 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.916 117.2 37.5 -67.6 -43.9 74.0 -22.2 23.2 161 168 A Y H >X S+ 0 0 4 -4,-1.8 3,-2.0 1,-0.2 4,-1.3 0.915 111.0 59.8 -69.4 -45.3 72.2 -19.5 25.1 162 169 A R H 3X S+ 0 0 16 -4,-4.0 4,-3.5 1,-0.3 5,-0.3 0.751 87.5 74.4 -61.8 -26.0 68.8 -20.0 23.4 163 170 A E H 3<>S+ 0 0 49 -4,-1.2 5,-2.0 -5,-0.2 6,-0.5 0.832 105.3 38.5 -54.3 -32.6 68.7 -23.6 24.7 164 171 A R H <45S+ 0 0 69 -3,-2.0 3,-0.4 -4,-0.3 -2,-0.2 0.862 117.3 48.3 -84.8 -39.4 67.8 -22.1 28.0 165 172 A D H <5S+ 0 0 15 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.788 110.3 52.0 -73.1 -27.9 65.6 -19.3 26.7 166 173 A V T <5S- 0 0 25 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.612 111.6-126.4 -81.1 -12.8 63.7 -21.8 24.5 167 174 A G T >5 + 0 0 3 -3,-0.4 4,-2.2 -5,-0.3 5,-0.2 0.881 48.9 161.4 71.4 41.0 63.2 -23.9 27.6 168 175 A K H > S+ 0 0 101 -6,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.884 111.7 49.7 -63.4 -41.2 65.1 -28.7 29.6 170 177 A L H > S+ 0 0 5 -34,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.886 109.8 51.4 -67.8 -38.2 61.7 -27.7 31.0 171 178 A L H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.837 110.6 50.5 -64.8 -33.2 60.0 -29.2 27.9 172 179 A A H X S+ 0 0 3 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.939 114.2 41.7 -70.2 -47.7 61.9 -32.4 28.5 173 180 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.843 114.6 52.4 -67.4 -35.2 61.0 -32.7 32.1 174 181 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.891 109.1 50.3 -67.4 -40.3 57.4 -31.6 31.4 175 182 A M H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 6,-0.3 0.924 111.1 48.0 -62.2 -46.6 57.2 -34.3 28.7 176 183 A R H X>S+ 0 0 31 -4,-2.1 5,-2.3 1,-0.2 4,-1.0 0.903 113.2 48.6 -62.1 -42.9 58.5 -37.0 31.1 177 184 A F H <5S+ 0 0 0 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.925 111.0 49.6 -59.6 -47.9 56.0 -35.9 33.8 178 185 A S H <5S+ 0 0 0 -4,-2.6 -119,-3.5 1,-0.2 -1,-0.2 0.772 119.3 37.8 -67.5 -26.8 53.1 -35.9 31.3 179 186 A M H <5S- 0 0 35 -4,-1.6 -1,-0.2 -121,-0.3 -2,-0.2 0.514 105.2-124.7 -98.4 -9.5 53.9 -39.4 30.1 180 187 A G T <5 + 0 0 30 -4,-1.0 2,-0.9 -3,-0.4 -3,-0.2 0.792 54.4 162.1 65.3 27.8 55.0 -40.7 33.5 181 188 A L < - 0 0 24 -5,-2.3 2,-0.4 -6,-0.3 -1,-0.2 -0.714 21.3-164.5 -88.2 104.0 58.2 -41.6 31.8 182 189 A K - 0 0 110 -2,-0.9 2,-0.3 -3,-0.1 95,-0.0 -0.732 6.4-173.3 -92.5 134.5 61.0 -42.1 34.4 183 190 A L - 0 0 26 -2,-0.4 -2,-0.0 94,-0.0 -7,-0.0 -0.953 21.2-121.8-127.6 146.5 64.6 -42.2 33.4 184 191 A S > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.399 30.7-110.5 -78.2 159.6 67.8 -43.0 35.3 185 192 A P H > S+ 0 0 110 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 122.7 53.7 -56.6 -35.3 70.6 -40.5 35.6 186 193 A S H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.901 109.6 46.6 -64.8 -43.4 72.6 -42.8 33.3 187 194 A E H > S+ 0 0 29 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.872 113.0 50.1 -65.7 -39.0 69.9 -42.7 30.7 188 195 A L H >< S+ 0 0 52 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.898 111.1 47.0 -67.3 -42.7 69.6 -38.9 31.0 189 196 A Q H >< S+ 0 0 107 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.796 104.7 65.4 -68.3 -27.3 73.3 -38.3 30.6 190 197 A R H 3< S+ 0 0 64 -4,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.762 102.5 44.2 -67.9 -29.3 73.3 -40.7 27.6 191 198 A V T S+ 0 0 147 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.795 77.5 52.6 -70.4 -28.6 72.6 -35.1 25.9 193 200 A E H > S+ 0 0 93 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.886 109.9 49.5 -70.2 -39.3 73.9 -34.9 22.3 194 201 A I H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 111.0 50.2 -64.5 -41.0 70.3 -35.6 21.1 195 202 A D H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 109.5 49.6 -62.3 -47.0 68.9 -33.0 23.5 196 203 A A H X S+ 0 0 24 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.884 113.2 47.3 -61.7 -39.7 71.4 -30.3 22.3 197 204 A N H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.888 111.4 50.0 -68.3 -40.8 70.5 -31.1 18.7 198 205 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.855 104.7 59.6 -66.0 -36.0 66.8 -31.0 19.3 199 206 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.862 101.9 52.7 -60.3 -39.6 67.1 -27.7 21.1 200 207 A K H X S+ 0 0 25 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.888 109.0 50.3 -65.2 -39.9 68.5 -26.0 18.0 201 208 A H H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.946 112.0 45.7 -63.1 -51.3 65.6 -27.3 15.9 202 209 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.901 115.5 48.9 -56.9 -42.4 62.9 -26.0 18.4 203 210 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.944 114.4 40.6 -66.9 -51.8 64.7 -22.7 18.6 204 211 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.889 112.1 55.0 -69.7 -39.8 65.2 -21.9 15.0 205 212 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.913 112.9 44.5 -58.5 -41.8 61.8 -23.1 13.9 206 213 A N H X S+ 0 0 24 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.915 111.8 52.4 -66.4 -43.9 60.3 -20.7 16.5 207 214 A D H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.887 108.2 53.1 -57.7 -41.1 62.7 -18.0 15.3 208 215 A I H < S+ 0 0 1 -4,-2.9 3,-0.4 1,-0.2 4,-0.3 0.934 118.1 32.4 -61.1 -49.2 61.6 -18.5 11.7 209 216 A Y H < S+ 0 0 37 -4,-1.7 4,-0.3 1,-0.2 3,-0.2 0.730 120.2 49.0 -86.2 -23.0 57.9 -18.1 12.3 210 217 A S S X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.315 82.6 98.8 -98.9 8.1 57.9 -15.6 15.2 211 218 A Y H > S+ 0 0 15 -4,-0.5 4,-2.4 -3,-0.4 5,-0.2 0.929 80.8 47.8 -62.4 -50.6 60.3 -13.2 13.5 212 219 A E H > S+ 0 0 97 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.883 112.6 50.7 -60.0 -40.1 57.7 -10.7 12.2 213 220 A K H > S+ 0 0 37 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.910 114.4 43.7 -61.0 -43.7 56.0 -10.6 15.7 214 221 A E H X S+ 0 0 36 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.746 108.1 57.7 -78.9 -25.3 59.3 -10.0 17.4 215 222 A L H X S+ 0 0 37 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.940 109.8 45.2 -66.2 -47.6 60.5 -7.4 14.8 216 223 A Y H >X S+ 0 0 152 -4,-1.9 4,-1.2 1,-0.2 3,-0.5 0.890 111.3 53.6 -61.2 -41.5 57.4 -5.3 15.6 217 224 A T H 3X S+ 0 0 11 -4,-1.7 4,-3.1 1,-0.2 3,-0.4 0.884 103.8 55.9 -60.7 -40.0 57.9 -5.9 19.3 218 225 A S H 3< S+ 0 0 40 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.779 110.8 45.3 -64.6 -26.8 61.5 -4.5 19.0 219 226 A K H << S+ 0 0 155 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.701 127.4 24.3 -86.8 -22.6 60.1 -1.3 17.5 220 227 A T H < S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.2 0.725 108.2 65.1-119.2 -31.5 57.3 -0.8 20.0 221 228 A A S < S- 0 0 20 -4,-3.1 -139,-0.2 -5,-0.2 -140,-0.1 0.159 99.3 -41.6 -83.3-159.4 57.9 -2.5 23.3 222 229 A H > - 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0 0 22 -2,-0.3 4,-2.5 140,-0.2 5,-0.2 -0.313 40.3-100.1 -77.0 173.7 104.4 -21.2 7.8 390 92 B F H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.914 126.9 48.5 -59.6 -42.6 102.5 -17.9 8.0 391 93 B E H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 112.2 46.6 -65.2 -45.4 105.9 -16.2 8.3 392 94 B E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 113.4 49.3 -65.0 -41.6 107.5 -18.0 5.4 393 95 B G H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.888 110.6 50.5 -65.1 -40.4 104.4 -17.4 3.2 394 96 B S H X S+ 0 0 37 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.934 111.0 47.8 -62.4 -47.2 104.4 -13.7 4.1 395 97 B A H X S+ 0 0 52 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.854 111.4 52.9 -61.5 -35.1 108.2 -13.4 3.2 396 98 B Y H X S+ 0 0 45 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.955 114.6 39.1 -65.7 -50.7 107.5 -15.2 -0.0 397 99 B N H >X S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.2 4,-0.9 0.898 110.8 57.0 -66.9 -44.3 104.7 -12.9 -1.1 398 100 B E H 3< S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.760 101.2 59.5 -61.8 -24.8 106.2 -9.6 0.1 399 101 B K H 3X S+ 0 0 115 -4,-1.0 4,-0.6 -3,-0.3 -1,-0.3 0.828 105.3 49.0 -70.3 -31.4 109.3 -10.3 -2.1 400 102 B L H >S+ 0 0 40 0, 0.0 5,-1.7 0, 0.0 6,-1.3 0.835 116.5 55.3 -67.3 -26.9 108.0 -4.5 -5.3 403 105 B I H <5S+ 0 0 4 -4,-0.6 -2,-0.2 2,-0.2 3,-0.1 0.879 105.3 51.4 -67.9 -39.1 108.8 -6.8 -8.3 404 106 B S H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.871 109.3 50.8 -63.6 -38.2 105.2 -6.7 -9.4 405 107 B R H <5S- 0 0 79 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.755 112.5-123.1 -68.8 -25.8 105.4 -2.9 -9.2 406 108 B G T <5S+ 0 0 20 -4,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.490 82.7 116.4 91.0 5.7 108.5 -3.0 -11.3 407 109 B D S - 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0 0 29 -4,-2.5 4,-2.0 -5,-0.1 -1,-0.2 -0.664 64.1-176.7-154.1 91.6 97.5 -0.7 -20.9 432 134 B R H > S+ 0 0 160 -4,-0.4 4,-2.0 -3,-0.2 5,-0.2 0.907 82.7 45.9 -57.5 -51.7 99.4 1.3 -18.2 433 135 B E H > S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 116.7 42.7 -62.8 -47.5 96.5 2.9 -16.4 434 136 B M H 4 S+ 0 0 5 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.793 112.4 54.5 -72.1 -28.1 94.3 -0.2 -16.1 435 137 B A H >X S+ 0 0 0 -4,-2.0 3,-1.6 -8,-0.2 4,-0.7 0.900 104.1 54.3 -71.2 -40.6 97.3 -2.4 -15.2 436 138 B D H >X S+ 0 0 55 -4,-2.0 4,-0.6 1,-0.3 3,-0.5 0.791 99.4 62.8 -63.1 -28.6 98.3 -0.2 -12.3 437 139 B E H 3< S+ 0 0 90 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.457 99.2 55.2 -79.8 0.0 94.8 -0.4 -10.8 438 140 B I H <> S+ 0 0 0 -3,-1.6 4,-1.9 40,-0.1 -1,-0.2 0.667 90.2 78.3 -98.5 -23.4 95.2 -4.2 -10.4 439 141 B L H S+ 0 0 13 0, 0.0 4,-1.5 0, 0.0 34,-0.4 0.875 110.1 48.8 -59.2 -34.9 94.0 -5.3 -5.1 442 144 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.4 -2,-0.2 0.916 111.1 48.7 -67.2 -43.4 96.5 -8.1 -5.7 443 145 B F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.837 108.4 54.1 -67.5 -33.6 98.7 -7.1 -2.8 444 146 B L H X S+ 0 0 66 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.884 111.3 46.3 -64.7 -40.0 95.6 -6.9 -0.5 445 147 B F H X S+ 0 0 18 -4,-1.5 4,-1.2 -5,-0.2 3,-0.3 0.906 110.3 52.4 -68.2 -43.4 94.9 -10.5 -1.6 446 148 B M H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 3,-0.2 0.869 109.7 48.7 -61.3 -39.0 98.5 -11.7 -1.1 447 149 B R H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.720 106.5 56.4 -77.9 -20.8 98.6 -10.3 2.5 448 150 B A H >< S+ 0 0 2 -4,-0.9 3,-0.8 -3,-0.3 -1,-0.2 0.763 95.0 69.0 -77.1 -26.3 95.3 -11.9 3.4 449 151 B Q H 3< S+ 0 0 16 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.0 28.3 -60.7 -34.4 96.7 -15.3 2.4 450 152 B T T 3< S+ 0 0 19 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.190 85.8 137.7-116.5 15.0 99.1 -15.3 5.4 451 153 B D X - 0 0 58 -3,-0.8 3,-1.7 1,-0.2 4,-0.1 -0.420 56.6-134.8 -63.0 134.0 97.1 -13.2 7.8 452 154 B R G > S+ 0 0 112 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.492 95.1 85.6 -74.5 -0.9 97.3 -14.7 11.2 453 155 B T G > S+ 0 0 27 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.676 75.1 72.8 -68.9 -16.9 93.5 -14.2 11.6 454 156 B R G < S+ 0 0 39 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 95.6 49.8 -67.7 -23.6 93.2 -17.5 9.8 455 157 B A G < S+ 0 0 53 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.334 100.8 80.4 -98.6 5.3 94.4 -19.2 13.0 456 158 B R S < S- 0 0 140 -3,-1.1 -3,-0.0 1,-0.1 0, 0.0 -0.821 93.4 -83.4-114.5 152.8 91.9 -17.4 15.2 457 159 B P - 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.192 49.8-177.1 -54.3 138.8 88.2 -18.1 15.9 458 160 B M - 0 0 44 -4,-0.1 2,-0.2 4,-0.0 -4,-0.0 -0.995 20.0-143.3-138.8 145.5 85.8 -16.7 13.3 459 161 B G > - 0 0 22 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.438 42.8 -95.9 -89.7 176.5 82.0 -16.5 12.9 460 162 B L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 125.1 47.5 -60.0 -43.7 80.4 -16.8 9.4 461 163 B G H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 111.8 48.7 -66.2 -42.9 80.1 -13.0 9.1 462 164 B G H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 111.4 51.4 -65.6 -37.1 83.7 -12.4 10.2 463 165 B Y H X S+ 0 0 0 -4,-2.1 4,-4.3 2,-0.2 5,-0.3 0.955 107.9 50.0 -62.9 -52.0 85.0 -15.0 7.7 464 166 B L H X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.839 109.8 52.3 -59.1 -34.9 83.1 -13.6 4.7 465 167 B E H < S+ 0 0 113 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.920 117.6 37.6 -66.1 -44.3 84.5 -10.2 5.5 466 168 B Y H >X S+ 0 0 3 -4,-1.8 3,-1.9 1,-0.2 4,-1.4 0.930 111.7 58.5 -69.4 -46.1 88.0 -11.6 5.6 467 169 B R H 3X S+ 0 0 19 -4,-4.3 4,-3.2 1,-0.3 5,-0.3 0.727 89.5 73.2 -62.5 -23.7 87.5 -14.0 2.7 468 170 B E H 3<>S+ 0 0 54 -4,-1.3 5,-1.9 -5,-0.3 6,-0.5 0.867 106.0 38.2 -56.0 -36.1 86.6 -11.2 0.4 469 171 B R H X45S+ 0 0 64 -3,-1.9 3,-0.6 -4,-0.4 -2,-0.2 0.887 117.2 49.2 -81.1 -41.3 90.3 -10.3 0.5 470 172 B D H 3<5S+ 0 0 17 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.806 109.7 51.3 -70.1 -30.1 91.5 -13.9 0.4 471 173 B V T 3<5S- 0 0 23 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.588 110.5-126.9 -81.0 -10.9 89.3 -14.9 -2.5 472 174 B G T <>5 + 0 0 2 -3,-0.6 4,-2.3 -5,-0.3 5,-0.2 0.868 49.2 160.9 69.5 39.8 90.7 -11.9 -4.3 473 175 B K H > S+ 0 0 99 -6,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.894 111.9 46.8 -67.3 -42.6 89.0 -6.9 -5.8 475 177 B L H > S+ 0 0 5 -34,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.876 110.3 53.9 -69.0 -35.6 91.8 -8.1 -8.0 476 178 B L H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.837 110.5 47.8 -65.5 -32.5 89.3 -10.2 -10.1 477 179 B A H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.917 113.8 44.8 -73.7 -45.1 87.2 -7.1 -10.6 478 180 B A H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.833 114.3 50.8 -67.1 -33.2 90.2 -5.0 -11.7 479 181 B L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.893 108.4 52.1 -69.7 -41.5 91.4 -7.8 -13.9 480 182 B M H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 6,-0.3 0.930 110.9 46.7 -60.4 -47.0 88.0 -8.2 -15.5 481 183 B R H X>S+ 0 0 29 -4,-2.2 5,-2.2 1,-0.2 4,-1.1 0.907 113.8 48.9 -61.3 -43.3 87.9 -4.4 -16.3 482 184 B F H <5S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.934 111.1 49.1 -59.4 -49.3 91.5 -4.6 -17.7 483 185 B S H <5S+ 0 0 0 -4,-3.0 -119,-3.4 1,-0.3 -1,-0.2 0.770 119.6 38.1 -66.1 -26.9 90.8 -7.6 -19.8 484 186 B M H <5S- 0 0 36 -4,-1.6 -1,-0.3 -121,-0.3 -2,-0.2 0.529 104.8-125.0 -98.5 -10.0 87.6 -6.0 -21.2 485 187 B G T <5 + 0 0 32 -4,-1.1 2,-1.0 -3,-0.5 -3,-0.2 0.767 54.8 160.7 66.3 25.5 89.1 -2.5 -21.5 486 188 B L < - 0 0 23 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.2 -0.698 21.0-167.0 -87.3 101.4 86.1 -1.5 -19.4 487 189 B K - 0 0 111 -2,-1.0 2,-0.4 -3,-0.1 95,-0.1 -0.772 5.8-175.9 -94.4 128.3 86.8 1.8 -17.7 488 190 B L - 0 0 26 -2,-0.5 -2,-0.0 94,-0.1 -7,-0.0 -0.941 24.7-118.7-121.8 144.5 84.6 3.1 -14.9 489 191 B S > - 0 0 47 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.355 30.9-110.3 -72.2 158.7 84.7 6.4 -13.1 490 192 B P H > S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.863 122.1 53.1 -56.2 -36.2 85.3 6.4 -9.3 491 193 B S H > S+ 0 0 61 2,-0.2 4,-0.9 1,-0.2 -3,-0.0 0.884 107.4 50.0 -66.5 -41.0 81.7 7.5 -8.9 492 194 B E H > S+ 0 0 34 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.896 110.3 50.1 -63.7 -41.4 80.4 4.6 -11.0 493 195 B L H >< S+ 0 0 45 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.834 105.1 57.3 -67.3 -33.2 82.5 2.1 -9.0 494 196 B Q H >< S+ 0 0 120 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.774 100.5 60.2 -66.3 -25.6 81.1 3.6 -5.7 495 197 B R H 3< S+ 0 0 99 -4,-0.9 3,-0.2 -3,-0.5 -1,-0.2 0.768 107.8 42.4 -73.2 -26.6 77.6 2.8 -7.1 496 198 B V T S+ 0 0 170 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.885 82.5 48.7 -65.1 -39.0 80.1 -1.4 -4.0 498 200 B E H > S+ 0 0 89 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.849 112.3 49.6 -68.3 -34.8 77.1 -3.2 -2.5 499 201 B I H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 110.8 49.9 -69.9 -39.1 76.9 -5.4 -5.6 500 202 B D H X S+ 0 0 22 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.917 109.7 50.6 -63.3 -45.9 80.6 -6.2 -5.4 501 203 B A H X S+ 0 0 24 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.869 112.2 47.1 -61.9 -38.6 80.4 -7.1 -1.7 502 204 B N H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.874 110.3 52.2 -70.9 -38.1 77.5 -9.5 -2.4 503 205 B C H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.854 102.6 60.7 -65.4 -36.3 79.2 -11.1 -5.4 504 206 B S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.880 100.5 52.8 -59.2 -41.9 82.3 -11.7 -3.2 505 207 B K H X S+ 0 0 21 -4,-1.1 4,-2.3 1,-0.2 5,-0.3 0.859 109.0 50.9 -64.9 -35.7 80.3 -14.0 -0.8 506 208 B H H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 5,-0.3 0.952 111.7 45.2 -65.7 -51.0 79.1 -16.0 -3.8 507 209 B L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.897 115.7 49.8 -58.1 -41.2 82.6 -16.6 -5.3 508 210 B S H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.938 114.0 40.0 -64.7 -53.3 84.0 -17.4 -1.8 509 211 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.878 112.0 55.2 -71.4 -39.3 81.4 -20.0 -0.6 510 212 B V H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.909 112.6 45.1 -59.0 -41.6 81.1 -21.7 -4.0 511 213 B N H X S+ 0 0 24 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.937 111.7 52.3 -64.6 -47.0 84.8 -22.2 -3.9 512 214 B D H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.895 109.1 51.1 -54.7 -44.3 84.7 -23.3 -0.3 513 215 B I H >< S+ 0 0 1 -4,-2.9 3,-0.5 1,-0.2 4,-0.3 0.932 117.9 34.5 -61.1 -50.8 82.0 -25.9 -1.1 514 216 B Y H 3< S+ 0 0 34 -4,-1.7 4,-0.3 1,-0.2 3,-0.2 0.767 120.6 47.8 -80.3 -26.9 83.8 -27.6 -4.0 515 217 B S T 3X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.336 83.9 97.7 -97.8 7.2 87.4 -27.2 -2.7 516 218 B Y H <> S+ 0 0 24 -3,-0.5 4,-2.3 -4,-0.5 5,-0.2 0.929 80.9 49.3 -61.3 -51.0 86.6 -28.5 0.8 517 219 B E H > S+ 0 0 101 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.876 112.6 49.2 -58.0 -40.0 87.7 -32.1 0.3 518 220 B K H > S+ 0 0 38 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.917 115.0 44.1 -63.0 -44.6 91.0 -30.9 -1.2 519 221 B E H X S+ 0 0 36 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.722 107.8 58.5 -77.4 -23.0 91.6 -28.5 1.7 520 222 B L H X S+ 0 0 34 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.937 110.0 43.8 -66.5 -47.4 90.6 -31.1 4.3 521 223 B Y H >X S+ 0 0 155 -4,-1.8 4,-1.1 1,-0.2 3,-0.7 0.888 112.2 53.0 -64.6 -41.2 93.3 -33.4 3.1 522 224 B T H 3X S+ 0 0 12 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.877 103.2 57.9 -61.1 -39.7 95.8 -30.5 2.9 523 225 B S H 3< S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.0 41.7 -62.8 -25.3 95.0 -29.6 6.5 524 226 B K H << S+ 0 0 153 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.650 127.0 28.3 -95.6 -18.3 96.1 -33.0 7.6 525 227 B T H < S+ 0 0 67 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.2 0.731 109.7 57.2-118.0 -33.2 99.2 -33.4 5.4 526 228 B A S < S- 0 0 19 -4,-2.7 -139,-0.2 1,-0.2 2,-0.1 0.115 105.3 -40.9 -86.7-157.9 100.7 -30.1 4.7 527 229 B H > - 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0 0 36 -4,-2.2 4,-2.0 -5,-0.1 5,-0.2 -0.622 59.1-174.8-162.3 93.8 102.5 -90.3 8.6 1042 134 D R H > S+ 0 0 164 -4,-0.3 4,-1.3 -3,-0.2 5,-0.1 0.877 85.4 50.2 -59.2 -41.9 105.8 -89.0 9.9 1043 135 D E H > S+ 0 0 122 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.975 116.4 35.2 -63.5 -59.1 104.5 -85.4 10.3 1044 136 D M H 4 S+ 0 0 1 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.801 113.5 57.8 -72.0 -30.9 101.3 -85.9 12.2 1045 137 D A H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-0.5 0.867 103.9 53.2 -66.8 -36.0 102.5 -88.9 14.3 1046 138 D D H 3X S+ 0 0 56 -4,-1.3 4,-0.5 1,-0.3 3,-0.3 0.701 98.3 65.8 -70.6 -19.8 105.4 -86.7 15.7 1047 139 D E H 3< S+ 0 0 63 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.578 98.4 54.0 -77.1 -10.0 102.8 -84.1 16.7 1048 140 D I H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.663 89.0 81.8 -95.3 -20.3 101.4 -86.7 19.2 1049 141 D L H >X S+ 0 0 18 -4,-0.5 4,-2.4 -3,-0.3 3,-0.5 0.949 95.3 36.2 -51.6 -71.0 104.7 -87.3 21.0 1050 142 D E H 3X S+ 0 0 104 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.834 114.2 57.4 -57.4 -38.3 105.0 -84.4 23.4 1051 143 D P H 3> S+ 0 0 10 0, 0.0 4,-1.6 0, 0.0 34,-0.4 0.898 110.8 44.8 -58.2 -38.5 101.3 -84.3 24.1 1052 144 D V H < S+ 0 0 99 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.729 106.7 59.3 -75.1 -22.1 104.5 -87.2 33.4 1058 150 D A H >< S+ 0 0 3 -4,-1.0 3,-1.3 1,-0.2 -1,-0.2 0.742 90.8 72.0 -74.5 -23.7 101.3 -85.7 34.8 1059 151 D Q T 3< S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.737 107.8 33.0 -64.6 -24.7 100.2 -89.2 36.0 1060 152 D T T < S+ 0 0 18 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.078 83.9 144.8-119.8 21.0 102.9 -89.1 38.7 1061 153 D D X - 0 0 56 -3,-1.3 3,-1.7 1,-0.1 4,-0.2 -0.391 53.9-132.6 -60.3 134.5 102.8 -85.3 39.5 1062 154 D R G > S+ 0 0 121 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.584 97.6 82.3 -69.3 -8.7 103.4 -84.8 43.2 1063 155 D T G > S+ 0 0 24 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.660 76.3 72.2 -68.5 -15.3 100.4 -82.4 43.2 1064 156 D R G < S+ 0 0 41 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.739 95.1 51.7 -70.8 -22.8 98.2 -85.5 43.5 1065 157 D A G < S+ 0 0 60 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.272 101.1 77.5 -97.5 8.9 99.4 -85.9 47.1 1066 158 D R S < S- 0 0 149 -3,-1.1 2,-0.0 -4,-0.0 0, 0.0 -0.907 93.2 -95.3-118.0 148.2 98.5 -82.3 48.0 1067 159 D P - 0 0 132 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.341 46.9-169.5 -58.8 138.5 95.1 -80.8 48.8 1068 160 D M - 0 0 37 -4,-0.1 2,-0.1 4,-0.0 -4,-0.0 -0.990 17.7-138.4-135.7 142.7 93.5 -79.2 45.7 1069 161 D G > - 0 0 26 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.324 40.8 -98.5 -82.1 176.2 90.5 -77.0 45.0 1070 162 D L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.870 124.2 50.4 -64.5 -37.3 88.2 -77.5 42.0 1071 163 D G H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.920 112.4 44.7 -67.4 -45.9 90.0 -74.8 40.1 1072 164 D G H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.840 113.0 53.1 -67.1 -34.3 93.5 -76.2 40.7 1073 165 D Y H X S+ 0 0 0 -4,-2.0 4,-4.1 2,-0.2 5,-0.2 0.965 107.9 47.6 -64.8 -54.6 92.3 -79.7 40.0 1074 166 D L H X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.802 109.8 55.0 -59.0 -31.9 90.8 -78.9 36.6 1075 167 D E H < S+ 0 0 106 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.2 0.918 117.7 34.7 -66.7 -44.2 94.0 -77.0 35.6 1076 168 D Y H >X S+ 0 0 3 -4,-1.7 3,-1.9 1,-0.2 4,-1.4 0.903 111.1 61.8 -74.0 -43.9 96.1 -80.1 36.4 1077 169 D R H 3X S+ 0 0 18 -4,-4.1 4,-3.1 1,-0.3 5,-0.3 0.728 87.9 72.9 -60.1 -24.4 93.6 -82.7 35.2 1078 170 D E H 3<>S+ 0 0 43 -4,-1.0 5,-1.9 -5,-0.2 6,-0.5 0.849 105.6 38.7 -58.1 -34.0 93.7 -81.2 31.7 1079 171 D R H X45S+ 0 0 70 -3,-1.9 3,-0.6 -4,-0.3 -2,-0.2 0.873 116.9 49.0 -81.2 -41.7 97.2 -82.9 31.5 1080 172 D D H 3<5S+ 0 0 19 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.795 109.4 52.1 -71.7 -28.5 96.3 -86.1 33.4 1081 173 D V T 3<5S- 0 0 26 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.602 110.8-127.5 -80.1 -11.5 93.1 -86.6 31.3 1082 174 D G T <>5 + 0 0 3 -3,-0.6 4,-2.2 -5,-0.3 -3,-0.2 0.897 49.7 160.0 67.7 43.5 95.4 -86.2 28.2 1083 175 D K H > S+ 0 0 108 -6,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.793 111.1 48.6 -68.7 -29.8 96.2 -82.5 24.3 1085 177 D L H > S+ 0 0 6 -34,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.879 109.0 52.6 -77.3 -37.8 97.1 -86.0 23.2 1086 178 D L H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.811 109.7 51.5 -63.9 -30.3 93.4 -86.7 22.3 1087 179 D A H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.946 114.3 40.7 -70.2 -49.6 93.5 -83.6 20.2 1088 180 D A H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.848 115.6 51.7 -67.0 -36.0 96.7 -84.6 18.4 1089 181 D L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.894 110.6 48.4 -67.8 -41.1 95.5 -88.2 18.1 1090 182 D M H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 6,-0.3 0.912 112.1 48.6 -64.0 -44.5 92.2 -87.1 16.6 1091 183 D R H X>S+ 0 0 31 -4,-2.2 4,-1.4 2,-0.2 5,-1.3 0.914 113.5 48.0 -61.7 -44.1 93.9 -84.8 14.1 1092 184 D F H <5S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.947 111.3 48.9 -59.3 -51.9 96.2 -87.7 13.2 1093 185 D S H <5S+ 0 0 0 -4,-2.7 -119,-3.3 1,-0.2 -1,-0.2 0.717 118.2 40.3 -66.0 -22.8 93.4 -90.2 12.8 1094 186 D M H <5S- 0 0 36 -4,-1.4 -1,-0.2 -121,-0.3 -2,-0.2 0.614 104.1-124.9 -98.8 -16.4 91.4 -87.8 10.6 1095 187 D G T <5 + 0 0 29 -4,-1.4 2,-0.8 -3,-0.4 -3,-0.2 0.619 56.0 158.0 76.8 14.2 94.3 -86.5 8.6 1096 188 D L < - 0 0 26 -5,-1.3 2,-0.4 -6,-0.3 -1,-0.3 -0.620 21.9-167.7 -78.1 108.5 93.1 -83.1 9.8 1097 189 D K - 0 0 98 -2,-0.8 2,-0.4 -3,-0.1 -5,-0.0 -0.797 4.2-172.3-101.8 140.6 96.0 -80.6 9.6 1098 190 D L - 0 0 22 -2,-0.4 -7,-0.0 94,-0.0 -2,-0.0 -0.987 21.5-122.4-134.6 140.9 95.9 -77.1 11.2 1099 191 D S >> - 0 0 52 -2,-0.4 4,-1.9 1,-0.1 3,-0.6 -0.385 35.4-106.6 -73.7 156.9 98.2 -74.1 11.0 1100 192 D P H 3> S+ 0 0 109 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.794 123.2 56.1 -53.1 -31.4 99.6 -72.7 14.3 1101 193 D S H 3> S+ 0 0 61 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.883 106.4 49.2 -67.4 -40.0 97.2 -69.8 13.9 1102 194 D E H <4 S+ 0 0 30 -3,-0.6 4,-0.2 1,-0.2 -1,-0.2 0.837 110.8 50.3 -68.5 -34.7 94.2 -72.2 13.8 1103 195 D L H >< S+ 0 0 62 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.905 108.3 52.2 -68.7 -42.9 95.5 -74.0 16.9 1104 196 D Q H >< S+ 0 0 151 -4,-1.8 3,-1.1 1,-0.2 4,-0.2 0.815 101.1 60.1 -65.5 -33.4 95.9 -70.8 18.9 1105 197 D R T 3< S+ 0 0 66 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.455 103.6 50.2 -81.9 -0.7 92.4 -69.5 18.3 1106 198 D V T <> S+ 0 0 1 -3,-1.1 4,-2.4 -4,-0.2 -1,-0.3 0.084 71.5 112.0-122.0 22.1 90.6 -72.5 19.9 1107 199 D R H <> S+ 0 0 142 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.881 80.0 50.5 -60.6 -40.4 92.5 -72.6 23.1 1108 200 D E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 110.4 49.3 -67.2 -36.6 89.4 -71.6 25.1 1109 201 D I H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.882 112.7 48.3 -68.3 -38.7 87.3 -74.3 23.3 1110 202 D D H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 110.5 50.3 -64.8 -46.7 90.0 -76.8 24.2 1111 203 D A H X S+ 0 0 13 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.854 113.6 46.0 -61.5 -36.6 90.2 -75.7 27.8 1112 204 D N H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.877 110.9 51.7 -74.1 -39.1 86.4 -76.0 28.1 1113 205 D C H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.866 104.3 58.3 -64.9 -37.5 86.3 -79.4 26.4 1114 206 D S H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.870 102.1 53.8 -61.1 -39.7 88.9 -80.8 28.8 1115 207 D K H X S+ 0 0 25 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.876 109.0 49.4 -62.6 -38.3 86.8 -80.0 31.8 1116 208 D H H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.3 0.932 113.3 44.9 -66.8 -47.0 83.9 -81.9 30.3 1117 209 D L H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.906 115.3 49.4 -62.5 -43.1 86.0 -85.0 29.5 1118 210 D S H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.934 114.7 40.5 -62.3 -51.6 87.7 -84.9 32.9 1119 211 D V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.866 111.1 55.2 -73.3 -38.0 84.5 -84.6 35.0 1120 212 D V H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.905 112.2 45.8 -60.6 -40.6 82.4 -87.0 33.1 1121 213 D N H X S+ 0 0 23 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.906 110.6 53.2 -66.1 -42.5 85.2 -89.6 33.6 1122 214 D D H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.894 107.9 52.3 -58.7 -42.1 85.4 -88.7 37.3 1123 215 D I H < S+ 0 0 1 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.923 117.8 33.9 -61.5 -48.4 81.7 -89.2 37.7 1124 216 D Y H < S+ 0 0 37 -4,-1.7 4,-0.2 1,-0.2 3,-0.2 0.737 120.2 47.9 -85.0 -23.6 81.6 -92.7 36.3 1125 217 D S S X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.301 83.2 99.4 -99.5 9.0 85.0 -94.0 37.4 1126 218 D Y H > S+ 0 0 15 -3,-0.5 4,-2.4 -4,-0.4 5,-0.2 0.933 80.9 47.5 -62.6 -51.1 84.6 -92.8 41.0 1127 219 D E H > S+ 0 0 85 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.866 113.3 50.5 -61.0 -37.2 83.6 -96.2 42.5 1128 220 D K H > S+ 0 0 41 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 115.1 42.5 -63.5 -43.0 86.4 -97.8 40.7 1129 221 D E H X S+ 0 0 34 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.713 108.8 57.9 -81.9 -21.7 88.9 -95.2 42.0 1130 222 D L H X S+ 0 0 36 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.925 109.5 46.2 -67.5 -45.7 87.4 -95.2 45.5 1131 223 D Y H >X S+ 0 0 153 -4,-1.8 4,-1.2 1,-0.2 3,-0.7 0.889 109.8 54.2 -62.3 -42.5 88.2 -98.9 45.7 1132 224 D T H 3X S+ 0 0 11 -4,-1.7 4,-3.1 1,-0.2 3,-0.5 0.892 103.2 55.9 -59.4 -42.2 91.7 -98.4 44.3 1133 225 D S H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 111.1 45.7 -64.1 -22.0 92.5 -95.9 46.9 1134 226 D K H << S+ 0 0 156 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.699 126.9 24.1 -92.0 -21.9 91.7 -98.5 49.6 1135 227 D T H < S+ 0 0 70 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.638 109.2 65.2-121.6 -22.9 93.5 -101.4 48.1 1136 228 D A S < S- 0 0 23 -4,-3.1 -139,-0.2 1,-0.2 2,-0.1 0.151 97.1 -40.8 -89.4-154.5 96.3 -100.2 45.8 1137 229 D H > - 0 0 57 -141,-1.9 4,-1.9 1,-0.1 -1,-0.2 -0.406 51.1-120.8 -73.6 150.0 99.6 -98.3 46.5 1138 230 D S T 4 S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.2 -139,-0.1 0.718 111.4 24.0 -65.1 -22.1 99.5 -95.4 48.9 1139 231 D E T >4 S+ 0 0 52 -141,-0.2 3,-0.9 -143,-0.1 -1,-0.2 0.776 123.7 48.3-107.9 -46.1 100.7 -93.0 46.2 1140 232 D G T 34 S+ 0 0 20 -142,-0.8 -143,-0.2 1,-0.2 -2,-0.2 0.750 114.8 47.1 -70.0 -24.2 99.6 -94.6 42.9 1141 233 D G T 3< S+ 0 0 5 -4,-1.9 -1,-0.2 -145,-0.1 -3,-0.1 0.388 78.6 144.7 -98.9 3.1 96.1 -95.2 44.2 1142 234 D I < - 0 0 42 -3,-0.9 2,-1.3 1,-0.1 -3,-0.1 -0.132 57.6-117.8 -49.2 126.7 95.5 -91.8 45.6 1143 235 D L + 0 0 39 -10,-0.1 2,-0.6 -13,-0.1 -1,-0.1 -0.547 47.0 163.5 -70.6 95.2 91.9 -90.6 45.2 1144 236 D C + 0 0 17 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.1 -0.871 21.9 123.4-119.0 96.3 92.3 -87.6 43.0 1145 237 D T > - 0 0 1 -2,-0.6 4,-1.9 1,-0.1 3,-0.2 -0.996 67.2-119.5-155.9 152.3 89.0 -86.6 41.5 1146 238 D S H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.805 110.8 61.6 -63.5 -31.5 86.4 -83.8 41.1 1147 239 D V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 108.0 41.7 -62.0 -45.3 83.7 -85.9 42.8 1148 240 D Q H > S+ 0 0 45 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.884 114.5 52.6 -69.3 -39.7 85.7 -86.2 46.0 1149 241 D I H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.934 112.3 42.8 -63.3 -48.8 86.7 -82.6 45.9 1150 242 D L H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.876 112.7 54.5 -65.8 -37.9 83.2 -81.2 45.5 1151 243 D A H X>S+ 0 0 9 -4,-1.8 5,-1.4 -5,-0.3 4,-0.7 0.877 112.5 44.0 -62.2 -38.5 81.9 -83.6 48.1 1152 244 D Q H <5S+ 0 0 124 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.921 116.8 44.2 -71.9 -45.9 84.5 -82.3 50.6 1153 245 D E H <5S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.845 123.5 34.8 -71.2 -34.9 84.0 -78.6 49.8 1154 246 D A H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.507 104.3-127.9 -96.8 -7.1 80.2 -78.7 49.8 1155 247 D D T <5 + 0 0 69 -4,-0.7 2,-0.3 -5,-0.2 -3,-0.2 0.935 64.7 124.3 57.0 52.2 80.0 -81.4 52.6 1156 248 D V < - 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