==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 18-JUL-11 3SZB . COMPND 2 MOLECULE: ALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KHANNA,T.D.HURLEY . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.6 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 . 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 . 61 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 0 0 4 2 0 1 4 1 6 2 4 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 10 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 PARALLEL BRIDGES PER LADDER . 2 6 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 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 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 1 A S > 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.3 28.3 38.8 49.4 2 2 A K H > + 0 0 173 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 360.0 51.0 -63.3 -40.5 29.6 36.0 51.7 3 3 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.951 110.9 46.4 -61.0 -49.6 26.4 34.0 51.0 4 4 A S H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 113.1 49.9 -59.6 -43.1 26.7 34.3 47.2 5 5 A E H X S+ 0 0 91 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.903 109.9 50.9 -62.7 -41.6 30.4 33.4 47.3 6 6 A A H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.918 113.1 44.6 -64.3 -43.6 29.7 30.3 49.5 7 7 A V H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.916 112.0 53.2 -66.2 -40.3 27.0 29.1 47.2 8 8 A K H X S+ 0 0 141 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.931 109.8 48.2 -59.4 -43.9 29.2 29.8 44.1 9 9 A R H X S+ 0 0 114 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.887 111.4 50.3 -67.0 -37.8 32.1 27.7 45.6 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.935 112.0 47.4 -65.9 -41.7 29.7 24.9 46.4 11 11 A R H X S+ 0 0 70 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.896 112.0 49.0 -63.3 -42.6 28.3 24.9 42.9 12 12 A A H X S+ 0 0 64 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.889 111.5 50.6 -64.5 -39.6 31.8 25.0 41.3 13 13 A A H <>S+ 0 0 3 -4,-2.1 5,-0.8 1,-0.2 4,-0.3 0.931 112.5 46.9 -67.4 -42.3 32.9 22.1 43.5 14 14 A F H ><5S+ 0 0 30 -4,-2.5 3,-2.0 1,-0.2 5,-0.3 0.952 109.5 52.1 -61.6 -45.2 29.9 20.1 42.5 15 15 A S H 3<5S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.749 95.8 71.4 -69.1 -19.4 30.3 20.8 38.8 16 16 A S T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.587 111.1-118.0 -64.1 -16.9 34.0 19.7 39.0 17 17 A G T X 5S+ 0 0 30 -3,-2.0 3,-1.7 -4,-0.3 -3,-0.1 0.436 72.9 134.4 93.0 0.8 32.7 16.1 39.4 18 18 A R T 3 < + 0 0 87 -5,-0.8 -4,-0.1 1,-0.3 6,-0.1 0.797 70.0 45.3 -53.5 -38.2 34.2 15.7 42.9 19 19 A T T 3 S+ 0 0 0 -5,-0.3 -1,-0.3 -6,-0.3 6,-0.2 0.467 89.3 88.2 -89.0 -3.3 31.2 14.1 44.5 20 20 A R < + 0 0 77 -3,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 0.928 68.2 79.1 -69.7 -45.2 30.3 11.6 41.8 21 21 A P S >> S- 0 0 72 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.410 79.0-136.4 -63.2 134.0 32.5 8.7 42.9 22 22 A L H 3> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 102.3 65.6 -57.7 -34.3 30.8 6.8 45.8 23 23 A Q H 3> S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 100.3 49.3 -55.6 -38.9 34.2 6.7 47.5 24 24 A F H <> S+ 0 0 32 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.926 111.4 48.3 -67.5 -45.1 34.2 10.4 47.9 25 25 A R H X S+ 0 0 16 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.927 111.5 50.2 -65.1 -41.0 30.7 10.4 49.4 26 26 A I H X S+ 0 0 31 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.891 106.9 55.4 -62.9 -40.9 31.6 7.6 51.8 27 27 A Q H X S+ 0 0 92 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.6 46.7 -58.1 -40.7 34.7 9.5 52.9 28 28 A Q H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.924 112.5 49.1 -69.2 -41.7 32.5 12.5 53.8 29 29 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.898 110.6 50.9 -63.2 -37.2 30.0 10.3 55.6 30 30 A E H X S+ 0 0 95 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.879 106.2 55.3 -66.3 -35.3 32.9 8.7 57.5 31 31 A A H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 106.7 51.3 -62.3 -38.3 34.1 12.2 58.4 32 32 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.852 106.9 53.3 -66.1 -35.2 30.7 12.9 59.9 33 33 A Q H X S+ 0 0 45 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.950 111.0 46.9 -60.9 -46.9 30.9 9.7 61.9 34 34 A R H X S+ 0 0 110 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.887 109.0 54.4 -61.9 -41.7 34.2 10.9 63.3 35 35 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.922 109.4 47.8 -57.2 -47.7 32.7 14.4 64.0 36 36 A I H < S+ 0 0 6 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.928 116.7 42.5 -61.3 -45.1 30.0 12.8 66.1 37 37 A Q H >< S+ 0 0 125 -4,-2.3 3,-1.0 1,-0.2 4,-0.2 0.952 120.3 40.4 -65.0 -49.4 32.4 10.6 68.0 38 38 A E H 3< S+ 0 0 98 -4,-3.2 3,-0.2 1,-0.3 -2,-0.2 0.753 120.2 43.6 -75.8 -25.6 35.1 13.2 68.6 39 39 A Q T 3X S+ 0 0 26 -4,-2.1 4,-2.8 -5,-0.3 3,-0.3 0.193 75.9 120.1-105.5 18.7 32.7 16.1 69.3 40 40 A E H <> S+ 0 0 50 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.897 78.0 43.8 -51.1 -51.2 30.3 14.2 71.6 41 41 A Q H > S+ 0 0 105 1,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.862 113.5 50.6 -66.3 -35.2 30.8 16.4 74.7 42 42 A E H > S+ 0 0 88 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.887 110.2 50.2 -70.8 -39.3 30.6 19.6 72.6 43 43 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.936 112.2 47.8 -62.6 -44.1 27.4 18.4 71.0 44 44 A V H X S+ 0 0 17 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.935 110.9 51.7 -61.5 -44.4 26.0 17.6 74.5 45 45 A G H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.876 110.8 47.4 -62.9 -39.5 27.1 21.0 75.8 46 46 A A H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 99,-0.3 0.916 113.7 46.6 -64.7 -45.6 25.4 22.9 73.0 47 47 A L H X>S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-1.4 0.855 112.3 51.4 -67.2 -35.7 22.2 20.9 73.4 48 48 A A H X5S+ 0 0 40 -4,-2.8 4,-1.7 4,-0.3 -2,-0.2 0.946 113.5 44.5 -62.2 -43.0 22.3 21.4 77.2 49 49 A A H <5S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.873 121.1 38.7 -72.7 -36.3 22.7 25.2 76.7 50 50 A D H <5S+ 0 0 9 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.896 139.2 4.4 -78.6 -40.1 20.1 25.5 74.0 51 51 A L H <5S- 0 0 0 -4,-2.4 232,-1.7 -5,-0.2 -3,-0.2 0.317 95.1-108.1-134.5 -0.9 17.3 23.1 75.2 52 52 A H << + 0 0 69 -4,-1.7 -4,-0.3 -5,-0.5 -3,-0.1 0.869 63.7 155.9 63.7 36.8 18.4 21.8 78.6 53 53 A K - 0 0 9 -6,-1.4 2,-0.2 -9,-0.2 -1,-0.2 -0.385 30.6-140.8 -74.1 167.2 19.1 18.3 77.2 54 54 A N > - 0 0 26 -2,-0.1 4,-2.3 226,-0.1 5,-0.2 -0.690 31.4 -87.2-124.0-179.5 21.6 16.0 79.1 55 55 A E H > S+ 0 0 65 -2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.807 123.4 46.2 -59.1 -32.9 24.3 13.6 78.0 56 56 A W H >> S+ 0 0 26 2,-0.2 4,-3.0 3,-0.1 3,-0.5 0.970 116.2 38.4 -79.8 -54.0 21.9 10.7 77.7 57 57 A N H 3> S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 6,-0.2 0.797 106.7 66.3 -74.2 -19.5 19.0 12.2 75.8 58 58 A A H 3<>S+ 0 0 2 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.924 116.6 29.0 -58.2 -42.4 21.3 14.2 73.6 59 59 A Y H X<>S+ 0 0 29 -4,-0.8 5,-3.1 -3,-0.5 3,-1.0 0.957 125.8 41.0 -79.7 -59.0 22.4 10.9 72.3 60 60 A Y H 3<5S+ 0 0 81 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.603 123.2 37.4 -77.6 -10.5 19.4 8.6 72.6 61 61 A E T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.3 -3,-0.1 0.324 138.2 -2.5-113.6 3.3 16.7 11.1 71.5 62 62 A E T X>5S+ 0 0 1 -3,-1.0 4,-0.8 -5,-0.1 3,-0.6 0.374 121.0 48.0-151.0 -67.6 18.7 12.8 68.8 63 63 A V H >> S+ 0 0 62 -3,-0.6 4,-1.8 -6,-0.4 -1,-0.3 0.841 104.1 51.7 -71.1 -32.4 19.6 8.6 64.7 66 66 A V H S+ 0 0 74 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.933 114.7 44.9 -59.6 -42.6 26.4 0.9 46.1 79 79 A E H >4 S+ 0 0 140 -3,-0.4 3,-0.6 -4,-0.3 -2,-0.2 0.943 115.5 46.2 -63.4 -48.3 23.0 -0.9 45.8 80 80 A W H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.843 112.7 49.8 -63.3 -35.2 20.9 2.3 45.8 81 81 A A H 3< S+ 0 0 26 -4,-2.5 20,-0.4 -5,-0.3 -1,-0.2 0.652 88.4 106.2 -82.3 -15.6 23.2 4.2 43.3 82 82 A A S << S- 0 0 53 -4,-1.0 17,-0.1 -3,-0.6 19,-0.1 -0.291 86.2 -95.4 -61.6 143.8 23.2 1.3 40.8 83 83 A D - 0 0 52 17,-0.1 17,-0.2 1,-0.1 -1,-0.1 -0.376 42.4-137.2 -51.2 137.5 21.2 1.6 37.6 84 84 A E E -A 99 0A 81 15,-2.4 15,-2.4 -3,-0.1 -1,-0.1 -0.885 7.3-140.1-113.1 106.5 17.9 -0.1 38.2 85 85 A P E -A 98 0A 106 0, 0.0 13,-0.3 0, 0.0 2,-0.2 -0.368 22.5-158.4 -61.8 141.2 16.6 -2.4 35.4 86 86 A V - 0 0 27 11,-2.5 11,-0.2 1,-0.1 761,-0.1 -0.751 30.2 -70.7-118.4 170.6 12.8 -2.0 34.9 87 87 A E - 0 0 128 -2,-0.2 759,-0.3 759,-0.1 2,-0.1 -0.282 47.7-152.9 -67.2 137.5 10.1 -4.3 33.4 88 88 A K - 0 0 84 757,-0.1 5,-0.1 758,-0.0 -1,-0.1 -0.308 3.1-137.5 -98.0-176.4 10.2 -4.7 29.6 89 89 A T > - 0 0 39 -2,-0.1 3,-1.0 1,-0.0 4,-0.2 -0.786 36.6 -95.5-130.0 173.5 7.4 -5.5 27.1 90 90 A P G > S+ 0 0 113 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.863 126.7 52.7 -61.6 -30.5 7.4 -7.9 24.1 91 91 A Q G 3 S+ 0 0 154 1,-0.2 3,-0.1 2,-0.1 346,-0.0 0.546 112.1 45.0 -76.8 -11.3 8.2 -4.9 21.8 92 92 A T G X S+ 0 0 3 -3,-1.0 3,-1.7 1,-0.1 -1,-0.2 0.132 72.3 117.6-120.9 19.2 11.2 -3.9 24.0 93 93 A Q T < S+ 0 0 98 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.803 80.5 45.9 -56.5 -34.1 12.9 -7.3 24.5 94 94 A Q T 3 S+ 0 0 156 -4,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.351 102.8 87.8 -93.2 5.8 16.1 -6.2 22.7 95 95 A D S < S- 0 0 7 -3,-1.7 2,-0.5 335,-0.1 335,-0.2 -0.608 75.6-125.2 -99.9 161.0 16.2 -2.9 24.5 96 96 A E E - B 0 429A 90 333,-2.7 333,-2.8 -2,-0.2 2,-0.4 -0.940 28.1-175.4 -99.4 130.7 17.7 -1.8 27.8 97 97 A L E + B 0 428A 5 -2,-0.5 -11,-2.5 -11,-0.2 2,-0.3 -0.982 19.9 139.4-126.2 120.0 15.2 -0.1 30.2 98 98 A Y E -AB 85 427A 14 329,-2.2 329,-2.6 -2,-0.4 2,-0.5 -0.988 49.4-116.1-157.1 161.8 16.4 1.3 33.5 99 99 A I E -AB 84 426A 6 -15,-2.4 -15,-2.4 -2,-0.3 2,-0.5 -0.905 28.9-159.1-100.8 121.2 16.3 4.1 36.0 100 100 A H E - B 0 425A 24 325,-3.0 325,-3.3 -2,-0.5 2,-0.4 -0.912 6.7-147.9-101.8 129.6 19.5 6.0 36.4 101 101 A S E + B 0 424A 16 -2,-0.5 323,-0.2 -20,-0.4 318,-0.0 -0.763 24.1 166.4 -95.5 139.2 20.0 8.0 39.7 102 102 A E E - B 0 423A 4 321,-1.9 321,-3.2 -2,-0.4 29,-0.1 -0.994 38.4 -92.7-148.6 150.9 22.0 11.2 39.6 103 103 A P E - B 0 422A 7 0, 0.0 319,-0.2 0, 0.0 28,-0.1 -0.214 21.3-139.0 -58.4 155.9 22.6 14.1 42.0 104 104 A L - 0 0 11 317,-1.0 2,-0.4 1,-0.2 318,-0.1 0.810 44.2-120.0 -79.5 -34.8 20.5 17.2 41.7 105 105 A G S S+ 0 0 1 316,-0.3 28,-2.5 28,-0.1 2,-0.6 -0.914 76.4 16.0 137.9-105.7 23.4 19.5 42.3 106 106 A V E -h 133 0B 0 -2,-0.4 75,-3.1 26,-0.2 76,-0.9 -0.933 68.3-164.7-109.4 114.8 23.5 21.9 45.3 107 107 A V E -hi 134 182B 0 26,-2.8 28,-2.8 -2,-0.6 2,-0.5 -0.823 8.5-147.8 -98.3 140.1 20.9 21.1 48.0 108 108 A L E -hi 135 183B 0 74,-2.4 76,-2.8 -2,-0.4 2,-0.5 -0.955 9.5-166.5-103.2 126.3 19.9 23.6 50.7 109 109 A V E -hi 136 184B 0 26,-2.8 28,-2.8 -2,-0.5 2,-0.7 -0.975 3.0-163.5-108.3 118.5 19.0 22.1 54.1 110 110 A I E -hi 137 185B 8 74,-2.8 76,-1.5 -2,-0.5 2,-0.1 -0.932 15.9-153.5-100.8 114.8 17.3 24.7 56.4 111 111 A G - 0 0 6 26,-2.7 2,-0.3 -2,-0.7 9,-0.2 -0.316 2.0-140.1 -80.1 169.5 17.4 23.4 60.0 112 112 A T - 0 0 16 3,-0.3 27,-0.3 27,-0.1 7,-0.2 -0.771 18.2-118.1-125.3 176.0 15.1 24.0 62.8 113 113 A W S S+ 0 0 23 -2,-0.3 32,-0.1 1,-0.2 4,-0.1 0.601 93.2 71.0 -94.3 -16.8 15.8 24.6 66.5 114 114 A N S S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 127,-0.1 0.831 120.8 13.6 -82.7 -34.1 14.1 21.8 68.5 115 115 A Y S > S+ 0 0 18 -3,-0.1 4,-2.8 1,-0.1 -1,-0.3 -0.727 83.3 172.4-127.0 79.8 16.4 19.0 67.4 116 116 A P T 4 S+ 0 0 2 0, 0.0 23,-0.1 0, 0.0 5,-0.1 0.648 72.8 41.2 -77.3 -16.0 19.1 21.2 66.0 117 117 A F T >> S+ 0 0 0 3,-0.1 4,-3.0 2,-0.1 3,-1.2 0.885 119.5 41.5 -87.3 -54.3 21.6 18.5 65.3 118 118 A N H 3> S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -56,-0.0 0.901 115.0 50.3 -57.6 -43.7 19.3 15.8 64.0 119 119 A L H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 67,-0.1 0.430 119.3 37.1 -87.1 5.9 17.2 18.2 61.8 120 120 A T H <> S+ 0 0 1 -3,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.704 125.8 33.5-108.5 -46.5 20.3 19.7 60.2 121 121 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -3,-0.2 0.833 108.9 59.7 -88.1 -34.0 22.6 16.8 59.9 122 122 A Q H X S+ 0 0 11 -4,-2.1 4,-1.4 -5,-0.5 -1,-0.2 0.959 110.7 44.2 -64.6 -44.0 20.3 13.8 59.2 123 123 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.920 112.0 54.7 -57.3 -41.1 18.9 15.5 56.0 124 124 A M H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.896 100.5 59.6 -59.9 -39.2 22.5 16.4 55.1 125 125 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.946 108.4 44.6 -54.9 -47.0 23.6 12.8 55.4 126 126 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B D S S- 0 0 109 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.850 83.3-167.8 45.3 47.8 26.1 25.5 10.7 771 323 B V - 0 0 6 18,-2.3 20,-0.3 -3,-0.3 -1,-0.2 -0.435 22.4-124.2 -75.8 131.6 23.8 27.2 13.2 772 324 B D > - 0 0 89 -2,-0.2 3,-2.4 1,-0.1 6,-0.3 -0.618 15.2-142.0 -67.9 117.7 25.2 29.8 15.6 773 325 B P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.683 101.6 55.9 -58.1 -16.0 24.2 28.6 19.1 774 326 B Q T 3 S+ 0 0 134 5,-0.0 5,-0.1 3,-0.0 -2,-0.0 0.513 86.5 104.7 -90.3 -8.0 23.6 32.2 20.1 775 327 B S S X S- 0 0 17 -3,-2.4 3,-1.9 1,-0.1 4,-0.3 -0.312 88.4-102.2 -74.9 158.1 21.1 32.7 17.2 776 328 B P G > S+ 0 0 82 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.853 119.6 58.1 -49.2 -41.8 17.2 32.9 17.9 777 329 B V G 3 S+ 0 0 0 -33,-0.4 3,-0.2 1,-0.3 5,-0.1 0.720 112.0 42.7 -65.0 -19.8 16.6 29.3 16.7 778 330 B M G < S+ 0 0 0 -3,-1.9 -1,-0.3 -6,-0.3 3,-0.1 0.241 107.1 62.3-105.6 10.9 19.1 28.0 19.3 779 331 B Q S < S+ 0 0 104 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.284 105.2 37.3-119.2 5.5 17.9 30.3 22.2 780 332 B E S S- 0 0 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43.0 870 422 B S E < S- S 0 551C 11 -3,-1.4 2,-0.5 -319,-0.2 -291,-0.1 -0.833 77.1-125.8-118.0 156.0 -1.7 9.5 46.5 871 423 B H E - S 0 550C 20 -321,-3.1 -321,-1.9 -2,-0.3 2,-0.7 -0.938 23.7-147.8 -93.4 127.8 -0.4 10.3 49.9 872 424 B R E - S 0 549C 87 -2,-0.5 2,-0.6 -323,-0.2 -323,-0.2 -0.891 19.2-163.8-100.5 109.6 1.9 7.4 50.9 873 425 B R E - S 0 548C 0 -325,-3.1 -325,-2.8 -2,-0.7 -489,-0.2 -0.832 13.2-136.3-109.2 114.8 1.4 7.3 54.7 874 426 B S E -qS 384 547C 4 -491,-0.7 -489,-2.4 -2,-0.6 2,-0.4 -0.503 26.3-168.0 -69.1 136.0 3.9 5.4 56.9 875 427 B C E -qS 385 546C 0 -329,-2.6 -329,-2.3 -491,-0.2 2,-0.4 -0.988 17.5-174.8-133.9 132.1 2.1 3.3 59.6 876 428 B L E -qS 386 545C 0 -491,-2.0 -489,-3.0 -2,-0.4 2,-0.6 -0.994 7.9-173.2-121.1 124.7 3.4 1.5 62.7 877 429 B V E -qS 387 544C 8 -333,-2.8 -333,-2.7 -2,-0.4 -489,-0.2 -0.960 7.4-175.2-124.9 113.7 0.9 -0.5 64.6 878 430 B R - 0 0 15 -491,-2.6 2,-0.1 -2,-0.6 -335,-0.1 -0.756 31.6-104.8-103.9 155.3 2.1 -2.0 67.9 879 431 B P - 0 0 58 0, 0.0 2,-1.3 0, 0.0 -511,-0.1 -0.508 30.8-126.6 -73.0 145.3 0.3 -4.3 70.3 880 432 B L + 0 0 18 -513,-0.1 2,-0.3 -2,-0.1 -657,-0.2 -0.646 69.9 111.8 -92.8 76.3 -0.9 -2.5 73.4 881 433 B M S S- 0 0 131 -2,-1.3 2,-0.0 -493,-0.1 0, 0.0 -0.969 79.7 -80.8-140.6 151.1 0.7 -4.7 76.0 882 434 B N - 0 0 89 -2,-0.3 2,-0.5 1,-0.1 3,-0.1 -0.316 43.4-167.5 -51.1 130.0 3.5 -4.2 78.4 883 435 B D >> - 0 0 71 1,-0.1 3,-2.0 -3,-0.0 4,-0.5 -0.926 14.1-160.0-126.7 107.1 6.9 -4.5 76.7 884 436 B E G >4 S+ 0 0 122 -2,-0.5 3,-1.2 1,-0.3 4,-0.3 0.810 89.3 65.0 -50.3 -34.3 9.9 -4.7 79.0 885 437 B G G 34 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.664 94.2 58.9 -67.7 -21.0 12.2 -3.6 76.2 886 438 B L G X4 S+ 0 0 20 -3,-2.0 3,-1.9 1,-0.2 4,-0.4 0.726 82.6 82.1 -79.7 -19.7 10.6 -0.2 75.9 887 439 B K G X< S+ 0 0 94 -3,-1.2 3,-1.4 -4,-0.5 -1,-0.2 0.770 74.9 73.9 -64.8 -23.2 11.4 0.8 79.5 888 440 B V G 3 S+ 0 0 113 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.822 93.7 54.9 -50.5 -35.6 15.0 1.8 78.5 889 441 B R G < S+ 0 0 27 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.663 89.2 92.0 -79.7 -19.0 13.6 4.9 76.8 890 442 B Y S < S- 0 0 24 -3,-1.4 -660,-0.0 -4,-0.4 -661,-0.0 -0.572 79.2 -83.7 -81.4 143.1 11.7 6.3 79.8 891 443 B P S S+ 0 0 11 0, 0.0 2,-0.1 0, 0.0 -620,-0.1 -0.353 95.0 78.2 -67.4 160.1 13.2 8.7 82.2 892 444 B P S S- 0 0 77 0, 0.0 3,-0.1 0, 0.0 -621,-0.1 0.458 77.4-146.4 -71.3 145.5 14.9 8.8 84.6 893 445 B S - 0 0 5 -2,-0.1 -614,-0.1 1,-0.1 -4,-0.1 -0.336 35.8 -79.4 -69.8 160.2 17.9 8.3 82.4 894 446 B P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -838,-0.1 -0.377 34.8-139.9 -64.7 142.3 20.8 6.2 83.9 895 447 B A S S+ 0 0 85 -3,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.773 87.5 53.7 -78.5 -25.2 22.9 8.4 86.2 896 448 B K S S- 0 0 178 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.883 85.4-128.8-104.7 142.5 26.1 6.9 84.9 897 449 B M - 0 0 73 -2,-0.4 2,-0.3 3,-0.0 -2,-0.1 -0.557 21.0-163.3 -85.4 149.3 27.0 6.8 81.3 898 450 B T - 0 0 113 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.900 35.9 -76.8-125.0 161.3 28.1 3.6 79.5 899 451 B Q 0 0 187 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.166 360.0 360.0 -50.7 144.9 29.9 3.1 76.1 900 452 B H 0 0 105 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.201 360.0 360.0 -84.1 360.0 27.7 3.5 73.1