==== 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 18-JUL-11 3SZA . COMPND 2 MOLECULE: ALDEHYDE DEHYDROGENASE, DIMERIC NADP-PREFERRING; . 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) . 33293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 70.5 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 . 63 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 33.3 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 81 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 161.3 28.1 39.1 49.9 2 2 A K H > + 0 0 175 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 360.0 50.8 -59.1 -40.5 29.5 36.4 52.2 3 3 A I H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 110.2 47.1 -63.7 -48.7 26.3 34.4 51.5 4 4 A S H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 112.7 50.7 -59.7 -41.0 26.6 34.7 47.7 5 5 A E H X S+ 0 0 89 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 109.0 50.6 -65.4 -40.4 30.2 33.8 47.8 6 6 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.923 113.0 45.3 -63.7 -42.2 29.6 30.7 49.9 7 7 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 111.7 53.0 -66.9 -41.8 26.9 29.4 47.6 8 8 A K H X S+ 0 0 137 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 109.9 48.5 -57.5 -43.1 29.1 30.2 44.5 9 9 A R H X S+ 0 0 109 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.880 111.1 50.0 -68.9 -35.5 31.9 28.1 46.0 10 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.932 112.0 47.4 -65.8 -43.4 29.6 25.2 46.8 11 11 A R H X S+ 0 0 69 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.889 112.0 49.7 -64.4 -39.5 28.2 25.2 43.3 12 12 A A H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.914 111.3 49.7 -68.7 -39.4 31.7 25.4 41.7 13 13 A A H <>S+ 0 0 2 -4,-2.3 5,-0.8 1,-0.2 6,-0.3 0.904 112.6 47.4 -65.8 -39.3 32.8 22.5 43.8 14 14 A F H ><5S+ 0 0 28 -4,-2.3 3,-2.0 1,-0.2 5,-0.3 0.945 109.2 52.8 -63.8 -45.6 29.8 20.5 42.8 15 15 A S H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 96.2 69.8 -66.1 -22.5 30.2 21.3 39.1 16 16 A S T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.586 110.9-118.5 -64.7 -17.1 33.8 20.1 39.3 17 17 A G T X 5S+ 0 0 30 -3,-2.0 3,-1.7 -4,-0.3 -3,-0.1 0.430 71.9 134.4 93.1 -0.1 32.5 16.5 39.7 18 18 A R T 3 > S- 0 0 73 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.393 78.9-136.3 -66.6 138.2 32.4 9.0 43.2 22 22 A L H 3> S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 102.2 65.7 -62.0 -34.5 30.7 7.1 46.0 23 23 A Q H 3> S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 100.6 49.6 -53.8 -40.1 34.1 7.0 47.8 24 24 A F H <> S+ 0 0 33 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.924 111.2 47.9 -66.6 -46.3 34.1 10.7 48.2 25 25 A R H X S+ 0 0 16 -4,-1.4 4,-2.6 -6,-0.2 -2,-0.2 0.921 111.8 50.5 -59.8 -42.2 30.6 10.7 49.6 26 26 A I H X S+ 0 0 31 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.884 106.9 54.8 -66.3 -38.3 31.5 7.9 52.0 27 27 A Q H X S+ 0 0 94 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.903 110.1 46.5 -59.6 -41.4 34.7 9.8 53.2 28 28 A Q H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.913 111.9 50.1 -70.4 -37.6 32.5 12.8 54.1 29 29 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.903 110.6 50.3 -62.3 -42.3 29.9 10.6 55.9 30 30 A E H X S+ 0 0 95 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.857 106.6 55.3 -63.3 -34.7 32.8 9.0 57.8 31 31 A A H X S+ 0 0 13 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.889 106.0 52.0 -66.6 -35.7 34.1 12.5 58.7 32 32 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.868 107.2 52.2 -65.6 -37.2 30.6 13.2 60.2 33 33 A Q H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 110.4 48.2 -61.1 -43.4 30.8 10.0 62.2 34 34 A R H X S+ 0 0 107 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.907 109.0 53.8 -63.8 -39.8 34.2 11.2 63.5 35 35 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.937 109.7 47.9 -57.5 -47.4 32.6 14.7 64.3 36 36 A I H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.6 42.2 -65.7 -40.5 29.9 13.1 66.4 37 37 A Q H >< S+ 0 0 129 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.946 120.1 41.1 -69.6 -47.3 32.3 10.9 68.3 38 38 A E H 3< S+ 0 0 99 -4,-3.2 3,-0.2 1,-0.2 -1,-0.2 0.736 119.3 43.9 -77.2 -24.8 35.0 13.5 68.9 39 39 A Q T 3X S+ 0 0 22 -4,-2.2 4,-2.8 -5,-0.3 3,-0.3 0.171 76.1 121.3-106.2 20.5 32.6 16.4 69.6 40 40 A E H <> S+ 0 0 50 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.892 77.2 42.5 -50.6 -53.1 30.3 14.4 71.9 41 41 A Q H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 113.5 52.1 -68.0 -33.6 30.7 16.6 75.0 42 42 A E H > S+ 0 0 91 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 109.7 49.8 -66.0 -40.3 30.5 19.8 73.0 43 43 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.937 112.2 48.1 -63.9 -44.8 27.3 18.7 71.4 44 44 A V H X S+ 0 0 16 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.928 110.3 51.7 -60.4 -45.7 25.9 17.9 74.9 45 45 A G H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.891 111.3 47.1 -61.6 -39.4 27.0 21.2 76.2 46 46 A A H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 99,-0.3 0.911 113.7 46.9 -66.2 -43.5 25.3 23.1 73.4 47 47 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-1.4 0.850 112.6 50.9 -68.6 -35.3 22.0 21.1 73.8 48 48 A A H X S+ 0 0 39 -4,-3.0 4,-1.7 4,-0.3 -2,-0.2 0.943 113.8 44.6 -64.5 -43.1 22.1 21.6 77.6 49 49 A A H < S+ 0 0 55 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 121.0 38.3 -71.2 -38.0 22.6 25.4 77.1 50 50 A D H < S+ 0 0 10 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.894 139.2 4.9 -74.8 -42.8 19.9 25.7 74.4 51 51 A L H < S- 0 0 0 -4,-2.4 232,-1.6 -5,-0.2 -3,-0.2 0.312 94.7-107.8-133.3 2.4 17.2 23.3 75.6 52 52 A H < + 0 0 70 -4,-1.7 -4,-0.3 -5,-0.5 2,-0.1 0.875 63.9 155.4 62.7 35.3 18.3 21.9 79.0 53 53 A K - 0 0 8 -6,-1.4 2,-0.2 -9,-0.2 -1,-0.2 -0.404 30.9-140.6 -76.3 168.3 19.1 18.5 77.6 54 54 A N > - 0 0 26 -2,-0.1 4,-2.5 226,-0.1 5,-0.2 -0.685 31.7 -88.9-125.5 178.7 21.5 16.2 79.4 55 55 A E H > S+ 0 0 61 -2,-0.2 4,-0.8 1,-0.2 5,-0.2 0.824 123.4 46.5 -63.6 -29.9 24.2 13.9 78.3 56 56 A W H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.1 3,-0.5 0.969 117.2 38.2 -78.3 -53.8 21.8 10.9 78.1 57 57 A N H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.810 107.2 65.1 -75.1 -24.2 18.9 12.5 76.2 58 58 A A H <>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 -1,-0.2 0.908 116.8 30.1 -53.8 -42.2 21.2 14.5 74.0 59 59 A Y H ><>S+ 0 0 30 -4,-0.8 5,-2.9 -3,-0.5 3,-1.0 0.960 125.5 40.1 -82.2 -57.9 22.4 11.2 72.6 60 60 A Y H 3<5S+ 0 0 78 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.588 123.0 38.4 -80.0 -10.1 19.4 8.8 72.9 61 61 A E T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.3 -3,-0.1 0.367 137.8 -2.0-111.4 3.1 16.7 11.3 71.8 62 62 A E T X>5S+ 0 0 1 -3,-1.0 4,-0.7 -5,-0.2 3,-0.7 0.393 121.4 46.6-152.0 -69.8 18.7 13.1 69.1 63 63 A V H >> S+ 0 0 65 -3,-0.7 4,-1.8 -6,-0.4 -1,-0.3 0.815 104.7 51.6 -66.9 -32.2 19.5 8.9 65.1 66 66 A V H S+ 0 0 73 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.919 114.7 44.7 -61.9 -39.4 26.3 1.3 46.4 79 79 A E H 4 S+ 0 0 135 -3,-0.4 3,-0.5 -4,-0.3 -2,-0.2 0.938 116.1 46.4 -68.0 -42.4 22.9 -0.5 46.0 80 80 A W H < S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.879 112.2 49.5 -68.2 -36.3 20.9 2.6 46.0 81 81 A A H < S+ 0 0 25 -4,-2.7 20,-0.4 -5,-0.2 -1,-0.2 0.635 89.2 105.0 -80.0 -14.1 23.1 4.5 43.6 82 82 A A S < S- 0 0 52 -4,-0.9 17,-0.1 -3,-0.5 19,-0.0 -0.322 86.7 -94.7 -66.2 148.9 23.2 1.7 41.0 83 83 A D - 0 0 54 17,-0.1 17,-0.2 1,-0.1 -1,-0.1 -0.346 41.2-138.4 -56.3 141.0 21.1 2.0 37.9 84 84 A E E -A 99 0A 85 15,-2.4 15,-2.2 -3,-0.1 -1,-0.1 -0.889 7.9-141.2-115.1 104.3 17.8 0.2 38.5 85 85 A P E -A 98 0A 105 0, 0.0 13,-0.3 0, 0.0 2,-0.2 -0.366 21.8-158.2 -60.5 143.4 16.5 -1.9 35.6 86 86 A V - 0 0 28 11,-2.3 11,-0.3 1,-0.1 761,-0.1 -0.751 29.7 -68.7-121.8 172.7 12.7 -1.7 35.1 87 87 A E - 0 0 126 -2,-0.2 759,-0.2 759,-0.1 2,-0.1 -0.244 47.7-150.9 -67.4 137.4 10.0 -3.9 33.6 88 88 A K - 0 0 86 757,-0.1 5,-0.1 5,-0.0 -1,-0.1 -0.395 1.9-139.7 -97.1 178.5 10.1 -4.4 29.8 89 89 A T > - 0 0 40 -2,-0.1 3,-1.0 1,-0.0 4,-0.2 -0.792 37.0 -95.0-126.5 172.1 7.3 -5.0 27.3 90 90 A P G > S+ 0 0 109 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.846 126.5 52.5 -56.8 -31.4 7.2 -7.3 24.2 91 91 A Q G 3 S+ 0 0 147 1,-0.2 3,-0.2 2,-0.1 346,-0.0 0.650 112.7 44.0 -77.3 -18.0 8.1 -4.3 22.0 92 92 A T G X S+ 0 0 2 -3,-1.0 3,-1.7 1,-0.1 -1,-0.2 0.107 72.4 118.3-116.3 21.5 11.1 -3.4 24.2 93 93 A Q T < S+ 0 0 98 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.836 81.0 45.3 -58.5 -33.9 12.7 -6.8 24.7 94 94 A Q T 3 S+ 0 0 154 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.329 102.4 89.0 -93.1 6.5 15.9 -5.8 22.9 95 95 A D S < S- 0 0 7 -3,-1.7 2,-0.5 335,-0.1 335,-0.2 -0.576 74.7-127.0 -98.8 160.8 16.1 -2.5 24.8 96 96 A E E - B 0 429A 102 333,-2.7 333,-2.9 -2,-0.2 2,-0.4 -0.964 28.3-175.4-100.4 130.7 17.7 -1.5 28.1 97 97 A L E + B 0 428A 5 -2,-0.5 -11,-2.3 -11,-0.3 2,-0.3 -0.989 19.1 141.0-126.4 124.1 15.2 0.3 30.4 98 98 A Y E -AB 85 427A 9 329,-2.3 329,-2.7 -2,-0.4 2,-0.5 -0.980 48.9-115.3-159.3 160.4 16.4 1.7 33.7 99 99 A I E -AB 84 426A 5 -15,-2.2 -15,-2.4 -2,-0.3 2,-0.5 -0.929 28.8-158.0-101.0 124.7 16.2 4.5 36.3 100 100 A H E - B 0 425A 23 325,-2.9 325,-3.2 -2,-0.5 2,-0.4 -0.919 6.5-148.4-102.8 128.6 19.5 6.4 36.7 101 101 A S E + B 0 424A 17 -2,-0.5 323,-0.2 -20,-0.4 318,-0.0 -0.801 24.4 164.9 -97.5 137.5 20.0 8.3 39.9 102 102 A E E - B 0 423A 4 321,-2.0 321,-3.2 -2,-0.4 29,-0.1 -0.986 38.6 -92.1-145.9 155.2 22.0 11.5 40.0 103 103 A P E - B 0 422A 5 0, 0.0 319,-0.2 0, 0.0 28,-0.1 -0.232 21.2-137.9 -64.2 156.3 22.5 14.5 42.3 104 104 A L - 0 0 13 317,-1.0 2,-0.4 1,-0.2 318,-0.1 0.813 44.0-119.7 -78.0 -36.8 20.4 17.6 42.1 105 105 A G S S+ 0 0 1 316,-0.3 28,-2.6 28,-0.1 2,-0.6 -0.893 76.7 15.6 138.1-108.6 23.3 19.9 42.6 106 106 A V E -h 133 0B 0 -2,-0.4 75,-3.2 26,-0.2 76,-0.9 -0.934 68.4-164.6-107.5 115.4 23.4 22.3 45.6 107 107 A V E -hi 134 182B 0 26,-3.0 28,-2.9 -2,-0.6 2,-0.5 -0.787 7.6-148.4 -96.9 137.3 20.8 21.5 48.4 108 108 A L E -hi 135 183B 0 74,-2.6 76,-2.8 -2,-0.4 2,-0.5 -0.953 8.5-166.1-103.9 129.0 19.8 23.9 51.1 109 109 A V E -hi 136 184B 1 26,-2.7 28,-2.8 -2,-0.5 2,-0.7 -0.973 2.9-163.2-109.9 119.1 18.9 22.5 54.5 110 110 A I E -hi 137 185B 9 74,-2.9 76,-1.4 -2,-0.5 2,-0.1 -0.917 17.2-152.4-102.0 112.5 17.2 25.0 56.8 111 111 A G - 0 0 6 26,-2.5 2,-0.2 -2,-0.7 9,-0.2 -0.336 2.0-139.9 -76.3 168.3 17.3 23.7 60.3 112 112 A T - 0 0 15 3,-0.3 27,-0.4 27,-0.1 7,-0.2 -0.738 17.4-119.5-124.6 176.7 15.0 24.3 63.2 113 113 A W S S+ 0 0 26 -2,-0.2 32,-0.1 1,-0.1 4,-0.1 0.641 93.1 70.2 -96.4 -16.6 15.7 24.9 66.9 114 114 A N S S+ 0 0 3 1,-0.3 -1,-0.1 2,-0.1 127,-0.1 0.830 121.2 13.8 -82.7 -30.0 14.0 22.1 68.9 115 115 A Y S > S+ 0 0 18 -3,-0.1 4,-2.8 1,-0.1 -1,-0.3 -0.741 82.7 172.3-131.3 76.8 16.3 19.3 67.7 116 116 A P T 4 S+ 0 0 3 0, 0.0 23,-0.1 0, 0.0 5,-0.1 0.643 73.1 41.8 -77.0 -15.1 19.0 21.5 66.3 117 117 A F T >>>S+ 0 0 1 3,-0.1 4,-2.9 2,-0.1 3,-0.9 0.856 118.9 41.8 -88.7 -52.0 21.5 18.8 65.7 118 118 A N H 3>5S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -56,-0.0 0.921 114.5 50.4 -59.2 -43.1 19.2 16.1 64.3 119 119 A L H 3<5S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.2 67,-0.1 0.490 119.1 37.4 -85.4 1.7 17.1 18.5 62.1 120 120 A T H <>5S+ 0 0 2 -3,-0.9 4,-1.2 -5,-0.2 -2,-0.2 0.731 126.2 33.3-104.1 -46.0 20.2 20.1 60.5 121 121 A I H X5S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -3,-0.2 0.846 108.7 60.5 -88.3 -33.2 22.5 17.1 60.2 122 122 A Q H X S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 112.0 55.4 -60.8 -40.5 18.8 15.8 56.3 124 124 A M H X S+ 0 0 0 -4,-1.2 4,-3.0 1,-0.2 5,-0.3 0.873 100.7 58.9 -58.9 -42.5 22.4 16.7 55.4 125 125 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.944 108.8 44.0 -52.9 -48.0 23.5 13.1 55.7 126 126 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.914 113.3 50.2 -66.6 -38.2 21.0 12.1 53.0 127 127 A A H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -1,-0.2 0.869 112.0 48.1 -69.6 -34.8 21.9 15.0 50.7 128 128 A I H ><5S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.927 109.9 53.0 -65.1 -45.5 25.6 14.2 51.0 129 129 A A H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.855 104.7 55.2 -60.8 -33.4 24.8 10.5 50.3 130 130 A 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P - 0 0 3 0, 0.0 23,-2.9 0, 0.0 24,-0.2 -0.386 13.6-121.9 -83.5 161.8 16.1 19.7 29.4 809 361 B L S S+ 0 0 4 21,-0.2 23,-1.7 -118,-0.2 2,-0.3 0.910 98.7 14.6 -64.8 -41.9 13.1 17.6 29.6 810 362 B A E - g 0 832A 0 21,-0.2 2,-0.4 -119,-0.2 23,-0.2 -0.936 64.3-159.8-130.8 150.1 14.7 14.9 27.3 811 363 B L E - g 0 833A 0 21,-1.3 23,-2.0 -2,-0.3 2,-0.4 -0.998 14.5-166.2-127.7 132.6 18.2 14.3 26.2 812 364 B Y E +eg 664 834A 1 -149,-2.5 -147,-2.5 -2,-0.4 2,-0.3 -0.938 9.5 178.1-120.8 146.6 18.9 12.2 23.1 813 365 B M E -eg 665 835A 0 21,-1.6 23,-3.1 -2,-0.4 2,-0.5 -0.998 14.8-155.7-145.7 142.6 22.1 10.6 21.7 814 366 B F E +e 666 0A 0 -149,-2.6 -147,-3.0 -2,-0.3 2,-0.3 -0.983 40.7 123.7-119.9 118.8 22.8 8.4 18.7 815 367 B S - 0 0 0 -2,-0.5 -383,-0.1 -149,-0.2 -2,-0.1 -0.925 53.0-146.3-169.0 143.2 25.8 6.2 19.0 816 368 B S S S+ 0 0 84 -2,-0.3 2,-0.7 -385,-0.1 -1,-0.0 0.365 78.3 98.9 -97.7 7.2 26.7 2.5 18.7 817 369 B N > - 0 0 72 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.841 60.2-159.6 -97.1 114.3 29.4 3.1 21.3 818 370 B D H > S+ 0 0 104 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.849 91.6 55.0 -58.9 -38.7 28.3 2.0 24.9 819 371 B K H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.845 106.0 51.6 -67.9 -34.3 31.0 4.2 26.6 820 372 B V H > S+ 0 0 22 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.939 111.7 47.3 -64.4 -46.3 29.8 7.3 24.7 821 373 B I H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.944 114.4 45.8 -60.5 -49.9 26.2 6.6 25.9 822 374 B K H X S+ 0 0 101 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.889 113.3 49.9 -65.7 -38.1 27.2 6.0 29.5 823 375 B K H X S+ 0 0 57 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.909 109.8 49.3 -67.1 -43.7 29.5 9.0 29.6 824 376 B M H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.926 114.9 45.2 -63.2 -44.0 26.9 11.4 28.3 825 377 B I H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.945 113.4 50.7 -61.6 -47.5 24.3 10.2 30.8 826 378 B A H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.775 115.3 40.7 -62.8 -29.3 26.8 10.3 33.6 827 379 B E H 3< S+ 0 0 91 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.2 0.466 112.1 52.6-104.3 -2.3 28.0 13.8 33.0 828 380 B T << - 0 0 5 -4,-0.8 2,-0.3 -3,-0.8 -28,-0.0 -0.678 66.7-139.3-120.6 173.9 24.6 15.6 32.1 829 381 B S + 0 0 15 -2,-0.2 2,-0.3 23,-0.0 23,-0.1 -0.993 30.2 150.2-136.8 136.0 21.3 15.9 33.7 830 382 B S - 0 0 0 -2,-0.3 -21,-0.2 -23,-0.2 -20,-0.1 -0.959 56.1-102.8-152.2 165.7 17.9 15.8 32.0 831 383 B G S S- 0 0 3 -23,-2.9 -405,-0.7 -2,-0.3 2,-0.3 0.986 100.3 -16.3 -55.2 -58.5 14.3 14.8 32.8 832 384 B G E -cg 426 810A 5 -23,-1.7 -21,-1.3 -407,-0.2 2,-0.4 -0.863 66.6-137.8-138.8 175.0 14.7 11.5 30.9 833 385 B V E -cg 427 811A 0 -407,-2.7 -405,-2.3 -2,-0.3 2,-0.4 -0.994 10.2-172.2-140.0 137.3 17.0 10.0 28.2 834 386 B A E -cg 428 812A 0 -23,-2.0 -21,-1.6 -2,-0.4 2,-0.5 -0.997 10.4-158.3-126.2 131.1 16.7 8.0 25.1 835 387 B A E S-cg 429 813A 0 -407,-2.8 -405,-2.4 -2,-0.4 -21,-0.2 -0.940 79.5 -0.6-102.8 127.3 19.7 6.5 23.3 836 388 B N S S+ 0 0 5 -23,-3.1 2,-0.3 -2,-0.5 -1,-0.1 0.572 127.1 54.7 71.4 13.3 19.2 5.7 19.6 837 389 B D - 0 0 0 -24,-0.3 2,-0.3 -409,-0.2 -24,-0.3 -0.965 68.7-137.9-157.6 170.5 15.6 6.7 19.5 838 390 B V S S+ 0 0 0 -2,-0.3 2,-2.4 -160,-0.1 -145,-0.1 -0.899 73.1 3.4-128.1 159.0 13.5 9.8 20.3 839 391 B I S > S+ 0 0 16 -147,-0.5 3,-1.9 -2,-0.3 4,-0.1 -0.170 98.2 94.8 71.6 -44.4 10.0 10.2 22.0 840 392 B V G > + 0 0 15 -2,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.697 67.3 71.2 -61.3 -26.1 9.5 6.6 22.9 841 393 B H G 3 S+ 0 0 5 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.693 94.1 56.1 -66.8 -17.0 10.9 6.7 26.4 842 394 B I G < S+ 0 0 26 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.393 98.8 62.1 -96.0 7.5 7.8 8.7 27.6 843 395 B T S < S+ 0 0 34 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.2 0.252 79.0 101.8-110.8 5.4 5.3 6.1 26.5 844 396 B L > - 0 0 16 -3,-0.5 3,-1.5 3,-0.2 -756,-0.0 -0.823 66.1-141.7-103.4 132.8 6.4 3.2 28.6 845 397 B H T 3 S+ 0 0 52 -2,-0.5 18,-0.4 1,-0.3 19,-0.3 0.789 101.5 52.7 -55.9 -30.7 4.5 2.2 31.8 846 398 B S T 3 S+ 0 0 22 -759,-0.2 -1,-0.3 1,-0.1 -759,-0.1 0.491 96.0 72.2 -91.8 -3.5 7.7 1.4 33.6 847 399 B L S < S- 0 0 0 -3,-1.5 -3,-0.2 -6,-0.1 -1,-0.1 -0.873 78.9-136.1-117.2 102.3 9.5 4.8 33.0 848 400 B P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 -422,-0.3 -0.198 19.5-135.6 -53.5 143.0 8.2 7.8 35.0 849 401 B F B +F 860 0J 11 11,-3.1 11,-1.8 -7,-0.1 2,-0.3 -0.911 47.9 100.4-110.0 120.1 7.8 10.9 32.9 850 402 B G - 0 0 9 -2,-0.5 -424,-0.2 9,-0.2 9,-0.2 -0.968 51.4-105.0-179.3 176.1 9.0 14.3 34.1 851 403 B G - 0 0 5 -195,-0.5 2,-0.3 7,-0.4 7,-0.2 -0.158 15.5-140.4-100.6-168.6 11.6 17.0 34.2 852 404 B V > - 0 0 7 -45,-0.3 3,-2.1 5,-0.1 -21,-0.2 -0.972 66.9 -12.3-154.6 149.3 14.3 18.4 36.4 853 405 B G G > S- 0 0 16 -2,-0.3 3,-2.1 1,-0.3 -2,-0.1 -0.336 137.5 -1.9 56.0-132.7 15.3 21.9 37.0 854 406 B N G 3 S+ 0 0 24 1,-0.3 -195,-0.7 -196,-0.1 -1,-0.3 0.683 131.1 64.1 -65.4 -16.2 13.7 24.3 34.5 855 407 B S G < S- 0 0 0 -3,-2.1 -197,-2.4 -48,-0.5 -1,-0.3 0.495 116.2 -94.5 -86.6 -2.4 12.0 21.4 32.7 856 408 B G E < -B 657 0G 3 -3,-2.1 2,-0.3 -199,-0.2 -1,-0.3 -0.705 28.5 -95.1 130.5-178.2 10.0 20.6 35.8 857 409 B M E S+B 656 0G 18 -201,-1.4 -201,-2.7 -2,-0.2 -5,-0.1 -0.984 74.8 22.0-143.0 149.6 9.5 18.7 39.1 858 410 B G - 0 0 38 -2,-0.3 -7,-0.4 -203,-0.2 2,-0.3 -0.133 66.7-132.9 79.6 177.8 7.6 15.5 39.9 859 411 B S - 0 0 16 5,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.978 16.9-171.7-160.4 164.5 6.6 12.8 37.5 860 412 B Y B +F 849 0J 0 -11,-1.8 -11,-3.1 -2,-0.3 3,-0.1 -0.872 29.6 106.2-152.1-172.6 3.7 10.6 36.4 861 413 B H S > S- 0 0 10 1,-0.4 3,-1.2 -2,-0.3 4,-0.4 0.272 81.7 -7.6 99.1 133.0 2.7 7.7 34.2 862 414 B G T >> S- 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-1.3 -0.204 134.3 -6.6 59.9-142.4 1.8 4.2 35.4 863 415 B K H 3> S+ 0 0 66 -18,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.853 132.1 64.7 -56.4 -35.0 2.4 3.4 39.1 864 416 B K H <> S+ 0 0 62 -3,-1.2 4,-2.7 -19,-0.3 -1,-0.3 0.822 97.6 55.0 -61.3 -32.4 4.1 6.8 39.4 865 417 B S H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 0.939 107.3 48.9 -62.9 -46.1 0.7 8.5 38.6 866 418 B F H < S+ 0 0 3 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.935 115.2 44.7 -59.6 -45.9 -1.0 6.6 41.4 867 419 B E H >< S+ 0 0 57 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.934 110.6 54.0 -62.7 -43.0 1.8 7.6 43.8 868 420 B T H 3< S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.3 43.6 -59.4 -39.8 1.9 11.2 42.7 869 421 B F T 3< S+ 0 0 0 -4,-2.1 -317,-1.0 -5,-0.2 2,-0.3 0.250 109.8 70.6 -95.5 15.2 -1.8 11.7 43.3 870 422 B S E < S- S 0 551C 10 -3,-1.6 2,-0.5 -319,-0.2 -291,-0.1 -0.820 77.0-125.6-119.3 158.9 -1.8 9.9 46.7 871 423 B H E - S 0 550C 19 -321,-3.0 -321,-2.0 -2,-0.3 2,-0.7 -0.960 23.0-147.8 -95.3 129.1 -0.5 10.6 50.1 872 424 B R E - S 0 549C 77 -2,-0.5 2,-0.6 -323,-0.2 -323,-0.2 -0.880 19.4-163.2-101.6 108.0 1.8 7.7 51.2 873 425 B R E - S 0 548C 0 -325,-3.1 -325,-3.0 -2,-0.7 2,-0.3 -0.845 13.0-136.1-105.7 114.7 1.3 7.6 54.9 874 426 B S E -qS 384 547C 4 -491,-0.7 -489,-2.6 -2,-0.6 2,-0.4 -0.548 26.0-167.6 -72.0 132.5 3.8 5.7 57.1 875 427 B C E -qS 385 546C 0 -329,-2.9 -329,-2.3 -2,-0.3 2,-0.5 -0.974 17.7-175.3-129.2 132.0 2.0 3.6 59.8 876 428 B L E -qS 386 545C 0 -491,-1.9 -489,-2.7 -2,-0.4 2,-0.5 -0.994 8.4-173.6-118.7 121.9 3.4 1.8 62.9 877 429 B V E -qS 387 544C 22 -333,-2.9 -333,-2.6 -2,-0.5 -489,-0.2 -0.955 7.9-176.5-122.3 112.8 0.8 -0.3 64.8 878 430 B R - 0 0 15 -491,-2.7 2,-0.2 -2,-0.5 -335,-0.1 -0.744 31.9-104.5-105.0 152.6 2.0 -1.8 68.1 879 431 B P - 0 0 58 0, 0.0 2,-1.3 0, 0.0 -511,-0.1 -0.492 30.5-125.8 -67.2 145.7 0.3 -4.1 70.5 880 432 B L S S+ 0 0 19 -2,-0.2 2,-0.3 -513,-0.1 -657,-0.2 -0.621 70.3 111.1 -94.0 76.6 -1.0 -2.3 73.6 881 433 B M S S- 0 0 128 -2,-1.3 0, 0.0 -493,-0.1 0, 0.0 -0.969 80.4 -81.2-143.0 151.1 0.7 -4.6 76.2 882 434 B N - 0 0 92 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 -0.315 44.2-168.6 -52.9 131.9 3.5 -3.9 78.6 883 435 B D > - 0 0 72 1,-0.1 3,-2.1 -3,-0.0 4,-0.4 -0.914 13.5-160.3-128.9 110.5 6.8 -4.3 76.8 884 436 B E G > S+ 0 0 122 -2,-0.4 3,-1.2 1,-0.3 4,-0.3 0.773 88.9 66.4 -59.4 -29.5 9.9 -4.4 79.1 885 437 B G G 3 S+ 0 0 53 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.705 94.7 59.4 -66.9 -20.9 12.2 -3.5 76.2 886 438 B L G X S+ 0 0 20 -3,-2.1 3,-1.7 1,-0.2 4,-0.4 0.704 82.9 81.6 -80.4 -15.5 10.5 -0.1 76.0 887 439 B K G X S+ 0 0 96 -3,-1.2 3,-1.4 -4,-0.4 -1,-0.2 0.778 74.3 72.6 -69.4 -22.4 11.4 0.9 79.6 888 440 B V G 3 S+ 0 0 112 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.792 94.2 56.8 -55.3 -30.5 15.0 2.0 78.7 889 441 B R G < S+ 0 0 27 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.728 88.5 90.8 -79.2 -20.0 13.5 5.1 77.0 890 442 B Y S < S- 0 0 25 -3,-1.4 -660,-0.0 -4,-0.4 -661,-0.0 -0.522 79.5 -83.5 -81.2 138.5 11.6 6.4 80.0 891 443 B P S S+ 0 0 12 0, 0.0 2,-0.1 0, 0.0 -620,-0.1 -0.378 94.7 77.9 -63.8 160.3 13.1 8.9 82.5 892 444 B P S S- 0 0 80 0, 0.0 3,-0.1 0, 0.0 -621,-0.1 0.413 77.3-146.5 -70.8 146.7 14.8 8.9 84.9 893 445 B S - 0 0 5 1,-0.1 -614,-0.1 -2,-0.1 -4,-0.1 -0.328 35.7 -79.7 -72.3 160.4 17.8 8.4 82.7 894 446 B P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -838,-0.1 -0.400 34.9-142.5 -62.4 138.8 20.7 6.4 84.1 895 447 B A S S+ 0 0 84 -3,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.860 87.1 57.3 -76.2 -32.1 22.8 8.6 86.5 896 448 B K S S- 0 0 178 -3,-0.0 2,-0.2 1,-0.0 -1,-0.0 -0.820 85.3-133.0 -96.3 136.3 26.1 7.0 85.3 897 449 B M - 0 0 70 -2,-0.4 2,-0.3 3,-0.0 -2,-0.1 -0.570 20.5-164.7 -81.8 148.8 27.0 7.0 81.6 898 450 B T - 0 0 111 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.872 35.8 -73.2-126.1 163.8 28.2 3.9 79.8 899 451 B Q 0 0 182 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.181 360.0 360.0 -53.1 147.3 29.9 3.4 76.4 900 452 B H 0 0 100 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.057 360.0 360.0 -85.4 360.0 27.8 3.9 73.4