==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-99 1QI9 . COMPND 2 MOLECULE: PROTEIN (VANADIUM BROMOPEROXIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ASCOPHYLLUM NODOSUM; . AUTHOR M.WEYAND,H.-J.HECHT,M.KIESS,M.F.LIAUD,H.VILTER,D.SCHOMBURG . 1111 2 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 8 1 0 0 2 3 3 1 4 3 2 1 1 2 1 1 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 15 2 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 2 A T 0 0 183 0, 0.0 595,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.4 86.0 -14.4 29.9 2 3 A a + 0 0 34 1,-0.1 4,-0.1 2,-0.1 595,-0.1 0.086 360.0 162.7 -62.1 173.4 89.0 -14.4 27.5 3 4 A S S S+ 0 0 57 2,-0.6 12,-2.5 593,-0.1 13,-0.2 0.157 78.0 17.6-157.0 -64.6 92.7 -14.2 28.5 4 5 A T S S+ 0 0 99 10,-0.2 2,-0.3 9,-0.1 -2,-0.1 0.568 125.9 31.6-101.2 -6.5 95.1 -15.3 25.7 5 6 A S + 0 0 86 8,-0.1 -2,-0.6 9,-0.0 2,-0.3 -0.983 55.5 152.6-145.7 156.7 92.7 -15.0 22.8 6 7 A D - 0 0 28 -2,-0.3 593,-0.2 2,-0.3 4,-0.1 -0.886 58.1 -78.0-160.4-163.9 89.7 -13.0 21.5 7 8 A D S S+ 0 0 68 591,-2.5 2,-0.2 -2,-0.3 592,-0.1 0.492 87.1 110.9 -90.2 -2.3 88.1 -11.9 18.2 8 9 A A S S- 0 0 13 590,-0.3 2,-1.7 1,-0.1 -2,-0.3 -0.485 71.5-130.4 -76.0 147.3 90.5 -9.1 17.5 9 10 A D + 0 0 34 890,-2.7 -1,-0.1 -2,-0.2 -2,-0.1 -0.606 68.8 127.4 -86.3 71.9 93.0 -9.3 14.6 10 11 A D - 0 0 14 -2,-1.7 -4,-0.1 -4,-0.1 626,-0.1 -0.967 59.8-145.6-137.3 119.1 95.7 -8.2 17.0 11 12 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 625,-0.1 0.782 81.9 81.6 -56.9 -32.0 99.0 -10.0 17.6 12 13 A T S S- 0 0 23 1,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.622 85.9-122.2 -80.5 131.4 99.0 -9.1 21.3 13 14 A P >> - 0 0 30 0, 0.0 3,-2.9 0, 0.0 4,-0.9 -0.403 25.0-110.9 -64.9 149.2 96.9 -11.4 23.5 14 15 A P H >> S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.858 117.1 54.9 -45.5 -49.4 94.2 -9.7 25.6 15 16 A N H 34 S+ 0 0 52 -12,-2.5 4,-0.2 1,-0.2 -11,-0.1 0.482 111.4 45.3 -75.6 4.7 95.9 -10.3 28.9 16 17 A E H <> S+ 0 0 89 -3,-2.9 4,-2.4 -13,-0.2 -1,-0.2 0.429 89.3 83.6-114.7 -7.8 99.1 -8.6 27.6 17 18 A R H S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 110.6 51.9 -65.0 -40.2 101.1 -4.4 30.1 20 21 A E H X S+ 0 0 89 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.845 109.2 50.0 -66.0 -34.3 102.2 -3.3 26.6 21 22 A A H X S+ 0 0 7 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.942 113.0 46.9 -70.0 -43.4 100.4 0.0 26.9 22 23 A F H X S+ 0 0 55 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.951 111.8 50.4 -58.9 -49.1 102.0 0.6 30.4 23 24 A A H X S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 110.0 50.1 -58.0 -45.1 105.5 -0.3 29.1 24 25 A S H X S+ 0 0 42 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.872 112.9 46.2 -59.2 -41.2 105.2 2.0 26.1 25 26 A R H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.878 110.7 51.7 -73.6 -40.0 104.1 5.0 28.3 26 27 A V H X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.964 111.6 48.4 -62.3 -48.7 106.8 4.3 31.0 27 28 A A H X S+ 0 0 60 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.916 111.1 50.1 -57.3 -43.7 109.4 4.3 28.2 28 29 A A H X S+ 0 0 25 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.925 113.2 45.5 -61.2 -45.6 108.0 7.6 26.7 29 30 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.816 109.8 55.9 -64.1 -36.9 108.1 9.3 30.1 30 31 A K H X S+ 0 0 99 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.872 104.8 53.0 -66.4 -37.9 111.6 7.9 30.7 31 32 A R H X S+ 0 0 62 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.892 110.8 46.1 -64.4 -38.8 112.7 9.5 27.5 32 33 A E H X S+ 0 0 9 -4,-1.6 4,-1.7 2,-0.2 5,-0.3 0.913 112.4 52.8 -71.7 -39.2 111.3 12.9 28.7 33 34 A L H X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.961 116.9 35.9 -53.8 -59.9 113.0 12.2 32.1 34 35 A E H < S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 117.7 51.2 -65.4 -36.4 116.4 11.6 30.6 35 36 A G H < S+ 0 0 18 -4,-2.3 512,-0.3 -5,-0.2 -1,-0.2 0.709 114.9 44.2 -74.2 -24.6 116.1 14.2 27.8 36 37 A T H < S+ 0 0 28 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.950 74.6 155.5 -83.3 -61.9 115.1 16.9 30.2 37 38 A G < - 0 0 24 -4,-2.0 2,-0.5 -5,-0.3 538,-0.2 -0.375 65.8 -9.6 63.5-143.4 117.4 16.6 33.1 38 39 A T - 0 0 63 536,-0.1 2,-0.5 -2,-0.1 534,-0.2 -0.776 67.9-168.9 -92.5 118.4 117.9 19.8 35.2 39 40 A V - 0 0 26 532,-0.6 2,-0.6 -2,-0.5 535,-0.1 -0.973 10.0-147.4-113.1 127.3 116.4 22.9 33.5 40 41 A b - 0 0 22 -2,-0.5 2,-0.5 517,-0.2 523,-0.1 -0.873 1.5-151.7-102.9 112.7 117.3 26.3 35.0 41 42 A Q - 0 0 0 -2,-0.6 523,-2.6 80,-0.1 2,-0.4 -0.768 21.5-176.2 -84.0 122.7 114.7 29.1 34.9 42 43 A I - 0 0 41 -2,-0.5 2,-0.2 80,-0.3 80,-0.1 -0.973 9.0-175.9-125.0 126.0 116.5 32.4 34.7 43 44 A N - 0 0 23 -2,-0.4 301,-0.1 81,-0.1 522,-0.0 -0.540 46.9 -90.4-107.8-175.2 114.9 35.9 34.8 44 45 A N - 0 0 40 -2,-0.2 83,-0.1 79,-0.1 300,-0.0 0.457 50.0-131.0 -75.4 -2.4 116.7 39.3 34.4 45 46 A G + 0 0 53 1,-0.2 -1,-0.1 519,-0.0 2,-0.0 0.307 53.6 144.6 69.9 1.3 117.2 39.7 38.2 46 47 A E - 0 0 28 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 -0.368 34.5-161.5 -71.0 143.2 115.9 43.3 38.6 47 48 A T + 0 0 127 -2,-0.0 -1,-0.1 5,-0.0 2,-0.1 0.624 46.2 123.0 -99.5 -12.3 114.1 43.8 41.9 48 49 A D > - 0 0 76 1,-0.2 3,-1.6 2,-0.1 80,-0.1 -0.291 53.7-149.0 -55.5 125.5 112.1 47.0 41.1 49 50 A L G > S+ 0 0 62 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.736 93.9 71.4 -70.0 -18.5 108.4 46.4 41.7 50 51 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 14,-0.1 305,-0.1 0.754 96.9 50.4 -64.5 -26.4 107.7 48.9 38.9 51 52 A A G < S+ 0 0 0 -3,-1.6 296,-1.4 2,-0.1 2,-0.3 0.242 100.2 86.6 -93.9 12.2 109.0 46.4 36.4 52 53 A K B < S-A 346 0A 22 -3,-1.6 2,-0.4 294,-0.3 294,-0.3 -0.799 84.1-102.0-111.9 157.5 106.7 43.6 37.8 53 54 A F + 0 0 5 292,-2.5 294,-0.1 -2,-0.3 -2,-0.1 -0.564 54.7 139.0 -78.6 128.0 103.2 42.5 37.0 54 55 A H > + 0 0 15 -2,-0.4 3,-1.8 356,-0.1 -1,-0.1 0.165 16.9 157.8-154.7 29.3 100.6 43.5 39.6 55 56 A K T 3 S+ 0 0 12 1,-0.2 192,-0.2 353,-0.1 191,-0.1 -0.310 70.6 23.5 -58.7 133.6 97.5 44.7 37.7 56 57 A S T 3 S+ 0 0 0 190,-3.4 35,-2.4 1,-0.4 36,-0.3 0.292 96.0 109.5 93.6 -10.1 94.4 44.5 39.8 57 58 A L S < S- 0 0 0 -3,-1.8 -1,-0.4 189,-0.4 33,-0.2 -0.467 85.2 -79.5 -82.7 172.0 96.1 44.8 43.2 58 59 A P - 0 0 34 0, 0.0 8,-2.3 0, 0.0 2,-0.3 -0.503 53.8-175.2 -69.4 131.7 95.8 47.9 45.3 59 60 A H B -B 65 0B 22 6,-0.2 6,-0.2 32,-0.2 2,-0.0 -0.938 25.5-116.2-125.6 159.8 98.1 50.7 44.1 60 61 A D > - 0 0 68 4,-2.5 3,-1.7 -2,-0.3 6,-0.1 -0.209 51.7 -85.6 -77.0-172.9 98.8 54.2 45.6 61 62 A D T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 182,-0.1 0.609 130.0 59.9 -77.9 -1.1 97.8 57.2 43.4 62 63 A L T 3 S- 0 0 48 2,-0.2 -1,-0.3 181,-0.0 3,-0.1 0.218 120.6-107.7-103.7 14.0 101.1 57.0 41.5 63 64 A G S < S+ 0 0 14 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.658 71.9 146.8 70.4 17.7 100.2 53.5 40.4 64 65 A Q - 0 0 90 1,-0.1 -4,-2.5 291,-0.0 -1,-0.2 -0.730 51.1-111.3 -90.1 126.0 102.9 52.0 42.8 65 66 A V B -B 59 0B 22 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.231 25.2-108.0 -61.5 147.9 101.9 48.6 44.2 66 67 A D > - 0 0 71 -8,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.523 26.5-138.8 -72.6 128.9 101.0 48.0 47.8 67 68 A A H > S+ 0 0 68 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.911 99.0 48.0 -56.4 -54.1 103.8 46.0 49.4 68 69 A D H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 112.8 50.1 -57.6 -46.2 101.7 43.6 51.5 69 70 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 108.5 51.1 -60.3 -44.0 99.5 42.9 48.5 70 71 A F H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 109.4 51.1 -62.4 -39.0 102.5 42.1 46.2 71 72 A A H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.878 108.7 51.7 -65.2 -33.6 103.9 39.7 48.8 72 73 A A H X S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.879 107.7 53.2 -71.6 -30.7 100.5 38.0 49.0 73 74 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.931 107.2 50.0 -68.4 -41.4 100.6 37.7 45.1 74 75 A E H X S+ 0 0 73 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.893 109.6 53.1 -63.1 -37.6 104.1 36.0 45.3 75 76 A D H X S+ 0 0 79 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.925 110.5 46.6 -56.2 -49.0 102.5 33.6 47.9 76 77 A c H X S+ 0 0 0 -4,-2.1 4,-0.7 8,-0.2 5,-0.5 0.916 111.4 50.9 -60.9 -48.6 99.7 32.8 45.5 77 78 A I H < S+ 0 0 2 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.880 113.4 45.4 -60.8 -42.0 102.1 32.3 42.6 78 79 A L H < S+ 0 0 58 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.851 108.9 51.2 -66.5 -45.5 104.3 29.9 44.5 79 80 A N H < S- 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.402 81.7-139.6 -87.6 -4.7 101.8 27.6 46.2 80 81 A G < + 0 0 13 -4,-0.7 2,-0.4 -3,-0.3 -3,-0.1 0.867 58.5 135.4 47.7 43.5 99.4 26.3 43.5 81 82 A D > - 0 0 63 -5,-0.5 4,-2.0 1,-0.1 -1,-0.2 -0.969 51.7-154.1-127.6 120.7 96.6 26.7 46.0 82 83 A L H > S+ 0 0 24 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.891 96.1 54.2 -57.2 -47.5 93.2 28.3 45.2 83 84 A S H 4 S+ 0 0 79 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.906 107.8 47.6 -59.4 -40.9 92.6 29.4 48.7 84 85 A I H >4 S+ 0 0 46 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.919 109.8 54.8 -67.0 -38.3 95.9 31.3 49.1 85 86 A c H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.836 100.2 59.7 -64.3 -28.2 95.2 33.0 45.7 86 87 A E T 3< S+ 0 0 45 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.634 96.3 65.0 -72.5 -13.5 91.8 34.2 47.0 87 88 A D T < S+ 0 0 116 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.470 72.3 110.3 -87.9 -5.3 93.7 36.0 49.7 88 89 A V S < S- 0 0 3 -3,-1.3 -19,-0.1 -4,-0.2 -18,-0.1 -0.622 76.4-116.2 -73.1 125.0 95.5 38.4 47.3 89 90 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.062 22.2-142.7 -58.8 148.8 94.0 41.9 47.8 90 91 A V - 0 0 61 -33,-0.2 -33,-0.3 1,-0.1 158,-0.1 -0.897 6.0-141.7-113.2 145.3 92.1 43.5 44.9 91 92 A G S S+ 0 0 26 -35,-2.4 2,-0.3 156,-0.4 -32,-0.2 0.368 87.3 39.5 -87.8 -3.3 92.4 47.3 44.3 92 93 A N - 0 0 27 -36,-0.3 3,-0.4 156,-0.2 -1,-0.1 -0.949 66.6-154.6-145.3 129.1 88.8 47.9 43.4 93 94 A S + 0 0 118 -2,-0.3 156,-0.1 1,-0.2 155,-0.1 0.219 65.2 104.3 -96.9 19.8 85.9 46.2 45.1 94 95 A E S S- 0 0 129 1,-0.1 -1,-0.2 154,-0.0 155,-0.1 0.509 80.7-130.2 -78.9 -4.6 83.2 46.4 42.4 95 96 A G + 0 0 64 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.660 44.8 163.8 69.3 19.4 83.6 42.7 41.5 96 97 A D > - 0 0 47 152,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.456 45.0-126.6 -71.8 143.4 84.0 43.1 37.8 97 98 A P G > S+ 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.725 105.1 69.7 -62.5 -24.0 85.4 40.1 36.1 98 99 A V G 3 S+ 0 0 39 1,-0.3 311,-0.1 310,-0.1 151,-0.1 0.771 93.3 61.4 -66.7 -20.9 88.2 42.1 34.4 99 100 A G G < S+ 0 0 5 -3,-1.4 2,-0.3 149,-0.3 -1,-0.3 0.533 81.0 107.0 -75.9 -13.8 89.7 42.4 37.9 100 101 A R S < S- 0 0 30 -3,-1.5 768,-0.3 -4,-0.2 309,-0.3 -0.512 78.4-113.5 -74.2 141.6 90.2 38.7 38.5 101 102 A L E -c 868 0C 0 766,-2.7 768,-2.2 -2,-0.3 2,-1.3 -0.479 36.3-119.1 -63.8 126.9 93.7 37.2 38.4 102 103 A V E -c 869 0C 23 307,-2.5 768,-0.2 766,-0.2 4,-0.1 -0.653 63.9 -58.3 -83.4 91.7 93.8 34.9 35.3 103 104 A N > + 0 0 0 766,-2.2 3,-2.1 -2,-1.3 4,-0.2 0.791 63.3 177.9 47.2 58.5 94.4 31.4 36.6 104 105 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.719 77.4 54.9 -60.8 -24.0 97.7 31.9 38.4 105 106 A T T > S+ 0 0 0 1,-0.2 3,-1.0 2,-0.1 965,-0.3 0.401 78.2 101.1 -89.3 1.2 97.9 28.3 39.6 106 107 A A T < + 0 0 0 -3,-2.1 -1,-0.2 1,-0.2 964,-0.2 0.820 68.2 64.9 -56.6 -40.1 97.5 26.8 36.2 107 108 A A T 3 S+ 0 0 0 -3,-0.4 2,-2.3 -4,-0.2 -1,-0.2 0.805 81.4 82.3 -53.8 -35.8 101.2 26.0 35.6 108 109 A F < + 0 0 30 -3,-1.0 2,-0.3 2,-0.1 962,-0.3 -0.375 65.9 101.2 -77.4 62.7 101.3 23.4 38.4 109 110 A A - 0 0 1 -2,-2.3 2,-1.0 960,-0.2 8,-0.3 -0.898 63.6-142.8-143.5 120.0 99.8 20.4 36.5 110 111 A I - 0 0 31 958,-0.4 2,-0.2 -2,-0.3 6,-0.1 -0.728 20.8-152.0 -84.4 103.9 102.0 17.6 35.1 111 112 A D - 0 0 13 -2,-1.0 471,-0.1 4,-0.2 470,-0.1 -0.517 12.1-135.5 -74.5 144.8 100.3 16.8 31.7 112 113 A I S S+ 0 0 16 -2,-0.2 2,-0.2 469,-0.1 -1,-0.1 0.890 86.2 57.6 -71.1 -33.4 101.0 13.1 30.8 113 114 A S S S+ 0 0 26 2,-0.1 -2,-0.1 556,-0.0 391,-0.1 -0.607 98.7 6.8 -93.5 164.0 101.7 14.0 27.2 114 115 A G S S- 0 0 1 -2,-0.2 2,-0.1 389,-0.2 387,-0.1 0.056 105.3 -29.5 62.5-172.2 104.4 16.4 25.8 115 116 A P S S- 0 0 12 0, 0.0 -4,-0.2 0, 0.0 220,-0.1 -0.446 73.5-106.4 -74.3 137.3 107.2 18.3 27.6 116 117 A A > - 0 0 9 -2,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.198 34.7-102.9 -62.7 162.4 106.4 19.1 31.3 117 118 A F T 3 S+ 0 0 18 -8,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.768 120.2 43.5 -57.7 -33.8 105.7 22.8 32.1 118 119 A S T 3 S+ 0 0 9 1,-0.2 -1,-0.3 456,-0.1 457,-0.1 0.274 90.5 89.5 -97.7 14.6 109.1 23.5 33.6 119 120 A A S < S+ 0 0 11 -3,-1.9 2,-0.2 455,-0.1 -1,-0.2 0.572 84.2 52.8 -86.0 -9.1 111.1 21.6 30.8 120 121 A T - 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0 0 12 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.155 69.0-121.1 -56.5 149.9 101.8 42.1 1.9 206 207 A F S S+ 0 0 13 -16,-0.1 2,-0.4 2,-0.1 -3,-0.1 0.861 93.4 65.5 -59.2 -44.2 101.8 42.7 5.7 207 208 A I S S- 0 0 8 57,-0.1 264,-0.1 1,-0.1 5,-0.1 -0.713 92.8-107.1 -91.5 135.7 98.8 40.5 6.4 208 209 A S >> - 0 0 0 -2,-0.4 3,-2.2 262,-0.3 4,-0.7 -0.155 20.4-124.5 -53.6 142.8 98.8 36.7 5.8 209 210 A Q H >> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.786 110.3 66.9 -55.3 -27.9 96.9 35.4 2.8 210 211 A L H 34 S+ 0 0 1 257,-0.3 -1,-0.3 1,-0.2 79,-0.1 0.592 99.4 49.4 -75.1 -12.6 95.1 33.2 5.4 211 212 A L H <4 S+ 0 0 3 -3,-2.2 53,-0.3 53,-0.0 -1,-0.2 0.590 117.3 36.1-100.5 -15.2 93.4 36.2 7.1 212 213 A V H << S+ 0 0 1 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.631 98.2 84.7-115.9 -11.0 92.0 37.9 4.0 213 214 A N S < S- 0 0 30 -4,-1.7 2,-0.1 1,-0.1 76,-0.1 -0.478 85.0 -96.3 -92.1 156.6 91.0 35.0 1.7 214 215 A S - 0 0 57 -2,-0.1 2,-0.3 9,-0.1 9,-0.2 -0.348 35.9-160.6 -68.0 153.6 87.6 33.3 1.9 215 216 A F E -F 222 0F 4 7,-1.9 7,-3.3 -2,-0.1 2,-0.5 -0.975 8.9-141.2-130.4 148.1 87.2 30.0 3.8 216 217 A T E -F 221 0F 69 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.944 16.7-178.9-111.5 133.9 84.5 27.4 3.6 217 218 A I E > S-F 220 0F 5 3,-2.2 3,-1.5 -2,-0.5 617,-0.1 -0.993 75.3 -19.4-132.6 115.6 83.2 25.6 6.7 218 219 A D T 3 S- 0 0 2 615,-0.6 616,-0.2 -2,-0.4 -1,-0.1 0.909 128.5 -50.2 56.0 48.1 80.5 22.9 6.3 219 220 A S T 3 S+ 0 0 12 614,-0.5 565,-2.0 1,-0.2 2,-0.6 0.608 112.8 121.6 65.9 13.5 79.5 24.2 2.8 220 221 A I E < -F 217 0F 10 -3,-1.5 -3,-2.2 563,-0.2 2,-0.5 -0.932 54.6-148.3-106.9 115.0 79.2 27.8 4.1 221 222 A T E -F 216 0F 101 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.744 14.3-163.0 -91.5 125.9 81.6 30.2 2.2 222 223 A V E -F 215 0F 8 -7,-3.3 -7,-1.9 -2,-0.5 557,-0.1 -0.963 13.6-158.1-118.4 120.0 82.8 33.0 4.4 223 224 A E - 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0 0 4 -2,-0.5 2,-0.3 151,-0.1 168,-0.2 -0.746 15.4-135.9-123.7 170.7 92.1 55.2 22.0 235 236 A Y B S+I 401 0I 17 166,-2.6 166,-2.7 -2,-0.3 168,-0.1 -0.828 71.0 36.2-125.8 169.2 91.4 54.4 25.7 236 237 A M S S+ 0 0 2 -2,-0.3 -1,-0.1 164,-0.2 163,-0.1 0.776 76.0 115.3 58.2 34.5 93.1 54.6 29.1 237 238 A V + 0 0 3 -3,-0.2 2,-0.5 164,-0.1 161,-0.3 0.446 52.6 85.0-108.9 -6.5 94.8 58.0 28.3 238 239 A D S > S- 0 0 30 1,-0.1 4,-2.5 151,-0.1 3,-0.2 -0.829 85.4-132.8 -89.2 127.1 92.9 59.9 30.9 239 240 A F H > S+ 0 0 33 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.884 101.4 49.0 -54.3 -51.4 95.0 59.3 34.1 240 241 A D H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 112.2 50.1 -60.7 -39.5 92.1 58.4 36.5 241 242 A E H > S+ 0 0 77 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 111.7 49.4 -62.2 -45.7 90.7 55.9 33.9 242 243 A W H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.935 113.1 45.8 -56.2 -53.0 94.2 54.4 33.6 243 244 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.892 108.8 55.2 -60.9 -46.5 94.7 54.1 37.4 244 245 A N H <>S+ 0 0 48 -4,-2.5 5,-2.5 -5,-0.2 -1,-0.2 0.891 108.6 49.3 -52.6 -45.2 91.2 52.6 37.9 245 246 A I H ><5S+ 0 0 5 -4,-1.9 3,-1.7 3,-0.2 -2,-0.2 0.934 110.0 50.5 -64.8 -38.2 92.1 49.8 35.3 246 247 A Q H 3<5S+ 0 0 8 -4,-2.1 -190,-3.4 1,-0.3 -189,-0.4 0.859 107.3 55.2 -67.7 -32.4 95.5 49.1 37.1 247 248 A N T 3<5S- 0 0 22 -4,-2.3 -156,-0.4 -5,-0.2 -1,-0.3 0.353 125.0-101.7 -79.5 3.4 93.5 48.8 40.4 248 249 A G T < 5S+ 0 0 4 -3,-1.7 -149,-0.3 1,-0.2 -152,-0.2 0.655 72.9 143.9 92.5 6.1 91.2 46.1 39.0 249 250 A G < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.273 54.6 -80.9 -79.7 166.1 88.1 48.3 38.3 250 251 A P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.275 51.3 -92.6 -67.9 153.3 85.7 48.1 35.4 251 252 A P - 0 0 35 0, 0.0 154,-0.1 0, 0.0 153,-0.1 -0.249 33.8-116.3 -60.0 157.0 86.3 49.5 31.9 252 253 A A S S- 0 0 60 152,-0.3 153,-0.0 1,-0.2 -11,-0.0 0.698 77.8 -56.6 -72.3 -18.4 85.1 53.0 31.3 253 254 A G S S- 0 0 27 0, 0.0 -1,-0.2 0, 0.0 151,-0.1 -0.964 74.8 -50.8 165.3-168.5 82.7 51.8 28.6 254 255 A P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 149,-0.0 -0.409 59.3 -97.1 -87.9 169.6 82.7 49.8 25.4 255 256 A E - 0 0 30 -2,-0.1 2,-0.3 1,-0.1 148,-0.1 -0.677 38.2-109.6 -88.3 146.4 84.9 50.5 22.4 256 257 A L - 0 0 102 -2,-0.3 -26,-2.5 -26,-0.1 2,-0.3 -0.527 39.0-153.7 -65.7 133.3 83.6 52.5 19.5 257 258 A L B -H 229 0H 57 -28,-0.3 2,-0.3 -2,-0.3 -28,-0.3 -0.773 15.1-111.2-117.0 154.9 83.0 50.3 16.4 258 259 A D - 0 0 23 -30,-2.9 -30,-0.3 -2,-0.3 4,-0.1 -0.655 16.0-141.4 -81.4 140.1 83.0 51.1 12.7 259 260 A D S S+ 0 0 165 -2,-0.3 2,-0.5 -32,-0.1 -1,-0.1 0.677 82.5 74.6 -69.8 -22.7 79.6 50.8 10.9 260 261 A E S S- 0 0 100 -32,-0.0 -32,-0.4 -34,-0.0 2,-0.2 -0.858 81.1-129.3-102.3 131.4 81.2 49.3 7.8 261 262 A L + 0 0 98 -2,-0.5 2,-0.3 -34,-0.1 -34,-0.2 -0.518 39.0 179.5 -69.6 132.3 82.5 45.7 7.7 262 263 A R B -G 226 0G 23 -36,-2.5 -36,-2.7 -2,-0.2 190,-0.2 -0.992 33.0-112.8-140.7 154.1 86.0 45.6 6.4 263 264 A F - 0 0 1 188,-2.9 2,-0.5 -2,-0.3 -38,-0.1 -0.324 60.2 -81.8 -70.4 160.6 88.9 43.2 5.6 264 265 A V + 0 0 7 -40,-0.3 -1,-0.1 -53,-0.3 -57,-0.1 -0.577 68.1 150.0 -69.2 115.4 91.9 43.7 7.9 265 266 A R + 0 0 35 -2,-0.5 -114,-2.1 1,-0.2 -113,-0.3 0.456 54.3 22.6-137.2 9.3 93.8 46.6 6.5 266 267 A N B > S-D 150 0D 6 -116,-0.3 4,-1.9 -115,-0.1 -1,-0.2 -0.902 87.7 -88.8-160.3 176.6 95.7 48.5 9.2 267 268 A A H > S+ 0 0 0 -118,-0.5 4,-2.6 -121,-0.5 -120,-0.2 0.805 122.0 56.4 -67.4 -33.4 97.0 47.8 12.7 268 269 A R H > S+ 0 0 4 -121,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.915 109.7 48.2 -61.2 -42.8 93.8 48.7 14.6 269 270 A D H > S+ 0 0 2 -122,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.893 112.3 47.4 -61.3 -44.6 92.0 46.1 12.4 270 271 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.929 111.5 51.0 -66.5 -41.9 94.7 43.4 13.1 271 272 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.921 105.9 56.8 -59.1 -45.6 94.5 44.3 16.8 272 273 A R H >X S+ 0 0 20 -4,-2.3 4,-1.3 1,-0.2 3,-0.7 0.915 103.2 53.9 -55.1 -46.2 90.6 43.9 16.6 273 274 A V H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.3 4,-0.4 0.961 110.3 46.4 -49.5 -51.7 91.1 40.3 15.3 274 275 A T H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.675 108.8 55.2 -73.0 -16.6 93.2 39.4 18.3 275 276 A F H << S+ 0 0 30 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.706 118.5 34.2 -82.8 -23.3 90.8 41.0 20.7 276 277 A T S << S+ 0 0 26 -4,-1.3 499,-0.6 -3,-0.9 500,-0.6 0.171 93.6 106.8-117.6 17.2 87.9 38.9 19.4 277 278 A D - 0 0 3 -4,-0.4 2,-0.3 498,-0.2 -3,-0.0 -0.452 59.5-140.3 -89.8 164.1 89.6 35.6 18.5 278 279 A N - 0 0 14 -2,-0.1 2,-1.9 602,-0.0 3,-0.5 -0.755 53.3 -72.1-131.7 91.3 89.2 32.4 20.6 279 280 A I S S+ 0 0 4 -2,-0.3 4,-0.1 1,-0.3 3,-0.1 -0.411 123.4 7.2 67.3 -71.8 92.4 30.4 21.0 280 281 A N S > S+ 0 0 3 -2,-1.9 4,-3.0 1,-0.1 5,-0.3 0.115 88.5 117.9-127.1 19.0 92.9 28.9 17.5 281 282 A T H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 5,-0.1 0.898 81.4 44.9 -57.7 -42.6 90.2 30.6 15.4 282 283 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.964 116.5 46.2 -66.5 -43.3 92.6 32.3 13.0 283 284 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.879 109.9 54.9 -68.3 -28.8 94.7 29.1 12.7 284 285 A Y H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.945 108.8 48.1 -67.8 -43.3 91.5 27.1 12.1 285 286 A R H X S+ 0 0 5 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.940 112.1 49.0 -60.1 -46.1 90.5 29.4 9.3 286 287 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.911 108.9 54.0 -61.6 -37.5 94.0 29.0 7.9 287 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.881 109.4 47.4 -60.1 -46.6 93.7 25.2 8.2 288 289 A L H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 113.1 48.0 -64.8 -40.8 90.5 25.1 6.3 289 290 A I H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.955 111.6 49.3 -66.7 -45.7 91.9 27.3 3.5 290 291 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 6,-1.0 0.935 111.4 50.7 -59.8 -39.9 95.1 25.3 3.2 291 292 A L H ><5S+ 0 0 12 -4,-2.1 3,-1.6 -5,-0.2 7,-0.4 0.968 109.9 49.9 -61.3 -46.2 93.0 22.1 3.0 292 293 A G H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 111.3 48.5 -61.7 -31.9 90.9 23.7 0.3 293 294 A L T 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.436 114.8-118.4 -88.8 -0.9 94.0 24.7 -1.7 294 295 A D T < 5S+ 0 0 87 -3,-1.6 -3,-0.2 -4,-0.4 3,-0.1 0.715 78.3 128.1 68.7 29.7 95.4 21.2 -1.3 295 296 A A S - 0 0 33 -2,-0.4 3,-1.3 1,-0.1 22,-0.2 -0.793 11.8-158.5 -93.7 118.6 95.2 16.7 1.1 298 299 A R T 3 S+ 0 0 109 -2,-0.6 21,-0.5 -7,-0.4 -1,-0.1 0.864 92.2 58.4 -62.2 -32.9 91.7 16.0 2.4 299 300 A A T 3 S- 0 0 58 2,-0.1 -1,-0.3 19,-0.1 3,-0.1 0.640 121.4-105.8 -75.9 -6.8 91.6 12.5 0.9 300 301 A G S < S+ 0 0 0 -3,-1.3 13,-3.2 1,-0.2 2,-1.8 0.617 72.1 142.1 98.0 10.4 94.6 11.6 3.0 301 302 A V + 0 0 32 11,-0.2 2,-0.3 4,-0.1 -1,-0.2 -0.613 44.0 109.9 -85.8 73.4 97.5 11.5 0.5 302 303 A N > + 0 0 0 -2,-1.8 3,-2.2 15,-0.3 4,-0.3 -0.880 65.5 5.0-130.0 169.7 100.0 13.2 2.9 303 304 A G G > S- 0 0 32 128,-0.4 3,-1.6 1,-0.3 4,-0.3 -0.183 133.5 -4.1 55.4-130.0 103.1 12.0 4.9 304 305 A P G > S+ 0 0 18 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.642 128.3 69.7 -72.6 -12.1 104.1 8.4 4.0 305 306 A F G X S+ 0 0 0 -3,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.672 80.0 74.3 -82.4 -15.5 101.0 8.0 1.8 306 307 A I G < S+ 0 0 83 -3,-1.6 -1,-0.2 -4,-0.3 -3,-0.1 0.869 100.9 43.7 -64.1 -31.1 102.4 10.4 -0.8 307 308 A D G < S+ 0 0 145 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 0.327 110.6 59.7 -95.4 3.6 104.9 7.7 -2.0 308 309 A I < - 0 0 36 -3,-1.1 335,-0.0 3,-0.2 0, 0.0 -0.799 63.0-149.7-129.2 169.9 102.5 4.7 -2.0 309 310 A D S S+ 0 0 132 -2,-0.3 -1,-0.1 334,-0.1 -4,-0.1 0.684 79.5 56.5-115.6 -19.6 99.3 3.9 -3.8 310 311 A R S S+ 0 0 10 347,-0.1 348,-3.3 337,-0.0 2,-0.3 0.609 99.4 51.7 -88.3 -26.7 97.0 1.6 -1.9 311 312 A Q E -j 658 0J 0 346,-0.3 2,-0.3 -6,-0.1 348,-0.2 -0.858 55.4-159.8-118.9 156.1 96.4 3.5 1.4 312 313 A A E -j 659 0J 3 346,-2.5 348,-2.3 -2,-0.3 -11,-0.2 -0.928 26.5-117.9-127.2 150.1 95.4 7.0 2.5 313 314 A G + 0 0 3 -13,-3.2 6,-0.3 4,-0.4 4,-0.2 -0.504 44.0 145.5 -83.7 167.9 96.1 8.6 5.9 314 315 A F B > S+k 317 0K 33 2,-1.2 7,-1.7 4,-0.2 4,-1.1 0.052 77.6 27.5-153.3 -78.9 93.3 9.6 8.3 315 316 A V T 4 S+ 0 0 3 5,-0.2 2,-0.5 1,-0.2 576,-0.1 0.866 136.9 33.2 -61.1 -39.8 94.0 9.2 12.1 316 317 A N T 4 S- 0 0 0 1,-0.1 -2,-1.2 5,-0.1 -1,-0.2 -0.978 139.4 -0.4-116.0 133.6 97.7 9.6 11.2 317 318 A F B 4 S+k 314 0K 3 -2,-0.5 -4,-0.4 1,-0.2 -15,-0.3 0.729 115.5 83.9 62.0 28.9 98.6 11.9 8.3 318 319 A G S >X S- 0 0 0 -4,-1.1 4,-2.2 -6,-0.1 3,-0.8 -0.798 100.2 -71.4-142.5-174.2 95.0 12.9 7.4 319 320 A I H 3> S+ 0 0 15 -21,-0.5 4,-2.4 -6,-0.3 5,-0.4 0.793 126.7 59.2 -57.7 -28.3 92.4 15.4 8.5 320 321 A S H 3> S+ 0 0 1 -6,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.958 109.8 43.7 -60.3 -47.9 91.8 13.6 11.8 321 322 A H H <> S+ 0 0 0 -7,-1.7 4,-1.8 -3,-0.8 -2,-0.2 0.920 115.8 48.7 -61.7 -48.3 95.5 14.1 12.7 322 323 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 -8,-0.2 -2,-0.2 0.959 114.9 39.7 -59.7 -57.9 95.5 17.8 11.5 323 324 A F H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 5,-0.2 0.868 111.9 60.1 -66.1 -29.2 92.3 19.1 13.3 324 325 A R H X S+ 0 0 7 -4,-1.9 4,-2.9 -5,-0.4 3,-0.5 0.953 110.1 39.3 -60.6 -50.0 93.2 17.1 16.4 325 326 A L H X S+ 0 0 5 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.835 101.8 71.3 -73.4 -24.2 96.5 18.8 16.9 326 327 A I H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.842 116.7 25.9 -59.3 -33.3 95.1 22.3 15.9 327 328 A G H >< S+ 0 0 1 -4,-1.2 3,-1.6 -3,-0.5 -2,-0.2 0.845 121.6 53.9 -90.9 -44.7 93.3 22.0 19.2 328 329 A A H >< S+ 0 0 20 -4,-2.9 3,-2.0 1,-0.3 -3,-0.2 0.831 94.7 67.8 -66.2 -32.3 95.7 19.7 21.2 329 330 A A G >< S+ 0 0 12 -4,-3.6 3,-1.9 1,-0.3 -1,-0.3 0.714 77.8 84.4 -64.1 -10.0 98.8 21.8 20.6 330 331 A E G X + 0 0 1 -3,-1.6 3,-2.4 1,-0.3 -1,-0.3 0.699 65.6 89.4 -62.1 -12.1 97.1 24.5 22.8 331 332 A L G X + 0 0 26 -3,-2.0 3,-1.9 1,-0.3 4,-0.4 0.779 67.4 75.8 -57.7 -21.9 98.7 22.5 25.7 332 333 A A G X> S+ 0 0 1 -3,-1.9 4,-2.2 1,-0.3 3,-1.0 0.703 76.1 79.8 -62.1 -17.8 101.8 24.7 25.3 333 334 A Q H <> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.3 -1,-0.3 0.761 82.1 62.9 -59.3 -26.1 99.8 27.4 27.1 334 335 A R H <> S+ 0 0 1 -3,-1.9 4,-1.6 -4,-0.3 -1,-0.3 0.912 106.1 43.2 -66.6 -36.2 100.5 25.6 30.4 335 336 A S H <> S+ 0 0 3 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 0.930 110.2 56.8 -72.7 -42.7 104.3 26.3 29.9 336 337 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.895 106.9 50.6 -49.9 -44.4 103.4 29.8 28.8 337 338 A W H X>S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.6 0.926 107.3 51.2 -66.0 -39.7 101.6 30.3 32.2 338 339 A Y H X>S+ 0 0 0 -4,-1.6 5,-1.4 2,-0.2 4,-1.0 0.915 112.6 47.7 -58.5 -43.8 104.6 29.0 34.2 339 340 A Q H <>S+ 0 0 0 -4,-2.2 5,-2.6 3,-0.2 6,-0.6 0.902 113.2 48.8 -64.2 -48.8 106.8 31.5 32.4 340 341 A K H <>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 73,-0.2 0.940 130.2 12.3 -56.2 -55.8 104.4 34.4 32.9 341 342 A W H <5S+ 0 0 0 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.2 0.914 128.6 40.8 -97.5 -53.9 103.8 33.9 36.6 342 343 A Q T <> - 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0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.270 53.0 -82.6 -78.9 167.0 86.7 2.6 -9.2 807 251 B P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.392 51.9 -90.8 -70.8 154.0 86.2 6.4 -9.6 808 252 B P - 0 0 37 0, 0.0 154,-0.1 0, 0.0 153,-0.1 -0.177 33.4-121.5 -59.1 153.1 82.8 8.0 -8.9 809 253 B A S S- 0 0 61 152,-0.4 153,-0.0 1,-0.1 -11,-0.0 0.724 77.9 -40.2 -71.0 -25.6 80.6 8.3 -11.9 810 254 B G S S- 0 0 28 3,-0.0 151,-0.2 0, 0.0 2,-0.1 -0.964 74.3 -66.9-176.5-173.6 80.4 12.1 -11.7 811 255 B P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 149,-0.0 -0.497 59.9 -94.9 -86.4 168.4 80.0 15.0 -9.2 812 256 B E - 0 0 30 -2,-0.1 2,-0.3 1,-0.1 148,-0.1 -0.637 38.3-111.8 -86.1 144.0 76.8 15.4 -7.2 813 257 B L - 0 0 105 -2,-0.3 -26,-2.4 -26,-0.1 2,-0.3 -0.547 38.7-154.5 -71.0 130.6 74.2 17.8 -8.6 814 258 B L B -V 786 0T 55 -28,-0.3 -28,-0.3 -2,-0.3 2,-0.2 -0.820 15.4-109.5-111.8 151.4 73.9 20.9 -6.3 815 259 B D - 0 0 22 -30,-2.4 -30,-0.3 -2,-0.3 4,-0.1 -0.592 17.2-139.3 -78.2 141.1 71.0 23.3 -5.7 816 260 B D S S+ 0 0 162 -2,-0.2 2,-0.5 -32,-0.1 -1,-0.1 0.635 83.8 73.5 -71.3 -21.2 71.5 26.9 -7.0 817 261 B E S S- 0 0 99 -32,-0.0 -32,-0.3 2,-0.0 2,-0.2 -0.904 81.9-129.4-101.7 131.7 69.9 28.4 -3.8 818 262 B L - 0 0 97 -2,-0.5 2,-0.3 -34,-0.1 -34,-0.2 -0.487 38.8-178.7 -71.2 140.7 71.9 28.5 -0.6 819 263 B R B -U 783 0S 21 -36,-2.5 -36,-2.3 -2,-0.2 190,-0.2 -0.989 32.9-112.2-147.4 149.5 69.7 27.2 2.3 820 264 B F - 0 0 2 188,-2.8 2,-0.5 -2,-0.3 -38,-0.1 -0.334 60.2 -83.8 -64.1 161.7 69.5 26.4 6.0 821 265 B V + 0 0 6 -40,-0.4 -1,-0.1 -53,-0.3 -57,-0.1 -0.606 67.0 149.5 -71.4 116.5 69.4 22.6 6.8 822 266 B R + 0 0 36 -2,-0.5 -114,-2.0 1,-0.1 -113,-0.3 0.335 54.6 30.6-135.2 4.8 65.7 21.7 6.5 823 267 B N S > S- 0 0 5 -116,-0.3 4,-1.9 -115,-0.1 3,-0.2 -0.926 86.2 -94.7-149.7 174.7 65.6 18.0 5.3 824 268 B A H > S+ 0 0 0 -121,-0.5 4,-2.4 -118,-0.5 -120,-0.2 0.839 122.1 56.3 -62.8 -35.5 67.6 14.7 5.6 825 269 B R H > S+ 0 0 3 -121,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.848 108.8 47.5 -64.2 -37.9 69.4 15.4 2.4 826 270 B D H > S+ 0 0 2 -122,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.869 111.0 49.6 -69.4 -37.6 70.6 18.7 3.7 827 271 B L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.899 110.2 52.1 -69.1 -35.8 71.7 17.2 7.0 828 272 B A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.873 105.0 56.3 -62.9 -44.6 73.6 14.5 5.0 829 273 B R H X S+ 0 0 20 -4,-1.7 4,-1.2 2,-0.2 3,-0.4 0.877 102.3 55.4 -56.0 -40.0 75.3 17.3 3.0 830 274 B V H >X S+ 0 0 2 -4,-1.5 3,-0.9 1,-0.2 4,-0.7 0.950 109.9 46.6 -54.7 -51.3 76.7 18.9 6.2 831 275 B T H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.702 108.4 55.4 -72.1 -17.3 78.3 15.5 7.1 832 276 B F H 3< S+ 0 0 30 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.673 118.5 33.3 -81.9 -24.9 79.7 15.1 3.6 833 277 B T H << S+ 0 0 25 -4,-1.2 -615,-0.6 -3,-0.9 -614,-0.5 0.235 93.1 105.7-119.7 14.9 81.5 18.5 3.8 834 278 B D < - 0 0 4 -4,-0.7 2,-0.3 -616,-0.2 -3,-0.0 -0.234 59.8-137.9 -83.9 177.6 82.5 18.9 7.4 835 279 B N - 0 0 13 -2,-0.0 2,-2.6 -516,-0.0 3,-0.5 -0.717 53.5 -72.6-146.5 88.4 86.0 18.4 8.7 836 280 B I S S+ 0 0 4 -2,-0.3 4,-0.1 1,-0.3 -516,-0.1 -0.299 124.1 7.5 66.2 -72.2 86.4 16.5 11.9 837 281 B N S > S+ 0 0 3 -2,-2.6 4,-2.1 2,-0.1 -1,-0.3 0.198 86.6 116.9-127.8 21.6 85.0 19.1 14.4 838 282 B T H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.883 81.2 49.9 -60.1 -37.6 83.6 22.0 12.3 839 283 B E H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.967 115.2 41.8 -69.8 -43.6 80.0 21.4 13.5 840 284 B A H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.748 111.6 56.3 -70.7 -25.9 81.0 21.3 17.2 841 285 B Y H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.926 108.4 47.6 -70.2 -46.9 83.4 24.2 16.7 842 286 B R H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.955 114.7 46.6 -54.2 -49.1 80.5 26.3 15.4 843 287 B G H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.917 109.2 55.2 -62.1 -42.4 78.4 25.1 18.4 844 288 B A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.925 109.2 46.3 -56.8 -41.9 81.3 25.9 20.8 845 289 B L H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.891 113.0 50.1 -68.9 -39.7 81.4 29.5 19.5 846 290 B I H X S+ 0 0 11 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.952 112.0 47.6 -60.6 -47.5 77.6 29.8 19.8 847 291 B L H <>S+ 0 0 1 -4,-3.2 5,-2.5 1,-0.2 6,-1.0 0.873 110.8 50.9 -62.6 -38.1 77.6 28.5 23.3 848 292 B L H ><5S+ 0 0 12 -4,-1.9 3,-1.3 -5,-0.3 7,-0.4 0.947 108.9 51.5 -65.2 -47.5 80.4 30.8 24.4 849 293 B G H 3<5S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.806 109.8 50.0 -61.4 -27.0 78.6 33.8 22.9 850 294 B L T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.463 114.8-118.8 -89.6 -3.4 75.4 32.8 24.9 851 295 B D T < 5S+ 0 0 87 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.2 0.794 78.0 129.0 69.4 30.1 77.5 32.5 28.1 852 296 B A S - 0 0 32 -2,-0.4 3,-2.0 4,-0.2 22,-0.2 -0.697 11.6-157.2 -91.0 116.0 82.0 32.1 30.2 855 299 B R T 3 S+ 0 0 105 -2,-0.6 21,-0.4 -7,-0.4 -1,-0.2 0.849 92.3 61.3 -59.7 -34.5 84.7 33.6 28.0 856 300 B A T 3 S- 0 0 54 2,-0.1 -1,-0.3 19,-0.1 3,-0.1 0.559 119.9-106.0 -71.8 -6.7 86.1 35.6 31.0 857 301 B G S < S+ 0 0 0 -3,-2.0 13,-3.0 1,-0.2 2,-1.8 0.533 72.6 141.0 97.6 10.6 87.0 32.3 32.8 858 302 B V + 0 0 28 11,-0.2 2,-0.3 4,-0.1 -4,-0.2 -0.598 43.8 109.0 -88.7 78.5 84.2 32.2 35.5 859 303 B N > + 0 0 0 -2,-1.8 3,-2.2 15,-0.3 4,-0.2 -0.934 64.6 4.9-143.2 166.1 83.7 28.5 35.1 860 304 B G G > S- 0 0 29 128,-0.4 3,-1.3 -2,-0.3 4,-0.3 -0.223 133.4 -3.5 54.3-132.5 84.4 25.3 37.1 861 305 B P G > S+ 0 0 20 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.678 128.2 68.9 -68.5 -12.3 85.8 26.1 40.5 862 306 B F G X S+ 0 0 0 -3,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.640 79.7 76.5 -80.8 -17.7 85.9 29.9 39.8 863 307 B I G < S+ 0 0 83 -3,-1.3 -1,-0.2 1,-0.2 -3,-0.1 0.881 99.6 43.2 -59.4 -38.7 82.1 30.2 39.8 864 308 B D G < S+ 0 0 145 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 0.308 110.7 59.9 -90.8 3.4 82.1 30.1 43.6 865 309 B I < - 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0 0 5 -296,-0.1 3,-2.0 1,-0.1 4,-1.8 -0.422 27.8-106.9 -78.5 161.8 78.6 -1.0 4.8 906 350 B P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 50,-0.2 0.835 120.3 56.1 -58.1 -38.8 74.9 -0.5 4.0 907 351 B E H 3> S+ 0 0 2 133,-0.3 4,-1.0 2,-0.2 49,-0.2 0.792 107.3 51.0 -63.6 -30.0 75.6 -0.1 0.3 908 352 B A H X> S+ 0 0 15 -3,-2.0 4,-1.8 2,-0.2 3,-0.7 0.950 111.8 44.0 -76.7 -44.3 77.3 -3.5 0.4 909 353 B L H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 -2,-0.2 0.810 109.7 60.2 -65.7 -28.7 74.4 -5.3 2.2 910 354 B G H 3X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.852 103.2 49.1 -63.5 -39.9 72.2 -3.4 -0.3 911 355 B G H S+ 0 0 2 -4,-2.6 5,-2.3 2,-0.2 6,-1.6 0.817 112.1 52.1 -69.1 -30.3 70.8 -9.7 -5.9 916 360 B T H ><5S+ 0 0 16 -4,-2.1 3,-1.8 4,-0.2 -2,-0.2 0.933 108.6 49.9 -70.2 -44.5 68.8 -11.9 -3.4 917 361 B I H 3<5S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.906 110.8 51.1 -62.2 -37.4 65.5 -10.3 -4.4 918 362 B K T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.397 116.0-117.3 -79.1 -0.3 66.4 -10.9 -8.0 919 363 B G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.527 88.6 110.1 76.3 10.5 67.2 -14.6 -7.3 920 364 B E S > - 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