==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-05 1WW8 . COMPND 2 MOLECULE: MALATE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL . 866 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 47 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 10 2 3 2 2 2 2 2 3 3 0 1 0 2 3 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 8 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 PARALLEL BRIDGES PER LADDER . 4 0 0 2 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 . 1 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 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 X > 0 0 159 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 10.8 24.9 48.8 35.5 2 2 A I H > + 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.874 360.0 60.8 -57.5 -36.6 22.3 46.1 35.2 3 3 A R H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 104.7 42.2 -59.1 -50.7 24.9 44.1 37.0 4 4 A E H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.830 115.0 51.4 -71.2 -30.8 25.1 46.2 40.2 5 5 A K H X S+ 0 0 83 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.940 112.9 45.6 -65.7 -46.3 21.3 46.6 40.4 6 6 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.946 114.3 47.2 -61.3 -51.6 20.9 42.8 40.1 7 7 A L H >< S+ 0 0 14 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.910 113.1 48.0 -58.4 -45.8 23.5 41.9 42.6 8 8 A E H >< S+ 0 0 135 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.795 107.4 58.0 -65.6 -29.8 22.3 44.5 45.2 9 9 A F H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 106.3 48.5 -71.5 -28.0 18.7 43.2 44.6 10 10 A H T << S+ 0 0 0 -4,-1.2 8,-2.8 -3,-0.5 2,-0.3 0.449 104.4 75.3 -92.1 -2.5 19.8 39.7 45.7 11 11 A K S < S+ 0 0 46 -3,-0.6 6,-0.1 -4,-0.4 480,-0.1 -0.778 90.0 17.2-110.7 155.4 21.6 40.8 48.8 12 12 A N + 0 0 97 -2,-0.3 2,-0.2 478,-0.2 5,-0.2 0.955 64.8 145.6 52.2 66.8 20.3 42.0 52.1 13 13 A N - 0 0 11 3,-2.7 -1,-0.2 -3,-0.2 417,-0.1 -0.674 63.9 -91.4-130.1 72.7 16.7 40.7 52.1 14 14 A F S S+ 0 0 9 -2,-0.2 419,-0.1 415,-0.2 418,-0.1 0.117 116.0 46.0 -31.1 126.2 16.3 39.9 55.8 15 15 A P S S- 0 0 2 0, 0.0 481,-0.1 0, 0.0 -1,-0.1 0.392 132.1 -59.3 -84.5 135.1 16.9 37.3 56.9 16 16 A G S S- 0 0 37 479,-0.1 -3,-2.7 -4,-0.1 2,-0.1 -0.345 85.1 -47.9 70.1-145.5 20.2 37.0 55.0 17 17 A N S S+ 0 0 31 475,-0.4 -6,-0.2 472,-0.3 474,-0.2 -0.338 86.8 66.4-112.2-166.7 20.4 37.2 51.2 18 18 A G S S- 0 0 0 -8,-2.8 474,-0.2 472,-0.4 471,-0.0 -0.217 79.6 -92.5 82.9-175.5 18.5 35.6 48.4 19 19 A K S S+ 0 0 0 472,-0.1 438,-2.7 437,-0.1 439,-0.4 0.467 87.4 72.8-122.0 -4.2 14.8 36.0 47.5 20 20 A I E -A 456 0A 0 436,-0.2 2,-0.3 -3,-0.2 -7,-0.1 -0.869 45.0-178.3-121.3 155.3 12.8 33.3 49.2 21 21 A E E -A 455 0A 0 434,-2.4 434,-2.0 -2,-0.3 2,-0.5 -0.957 19.0-140.2-140.5 153.0 11.6 32.5 52.7 22 22 A V E +A 454 0A 4 -2,-0.3 432,-0.2 432,-0.2 515,-0.2 -0.981 28.5 179.6-116.9 126.2 9.6 29.7 54.3 23 23 A I E -A 453 0A 2 430,-2.3 430,-1.9 -2,-0.5 504,-0.1 -0.921 30.8-106.2-130.6 156.7 7.1 30.6 56.9 24 24 A P E -A 452 0A 1 0, 0.0 428,-0.3 0, 0.0 4,-0.1 -0.441 16.6-156.8 -73.4 153.0 4.5 28.9 59.2 25 25 A K S S+ 0 0 4 426,-2.1 2,-0.3 -2,-0.1 427,-0.2 0.302 72.7 68.7-109.4 3.0 0.8 29.4 58.2 26 26 A V S S- 0 0 5 425,-0.5 832,-0.1 419,-0.0 833,-0.1 -0.866 91.5 -95.8-123.6 156.5 -0.4 28.7 61.7 27 27 A S + 0 0 47 -2,-0.3 10,-0.1 831,-0.2 -2,-0.1 -0.406 33.8 180.0 -70.2 145.2 -0.2 30.5 65.1 28 28 A L + 0 0 3 -2,-0.1 -1,-0.1 -4,-0.1 827,-0.0 -0.182 45.1 104.2-141.3 45.4 2.7 29.4 67.4 29 29 A E + 0 0 80 826,-0.1 2,-0.2 0, 0.0 -1,-0.0 0.851 69.4 53.6 -98.6 -38.9 2.5 31.6 70.5 30 30 A S S > S- 0 0 54 1,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.515 83.4-116.1 -94.5 165.5 1.0 29.4 73.2 31 31 A R H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.896 115.8 57.1 -65.8 -38.7 2.2 26.0 74.4 32 32 A E H 4 S+ 0 0 104 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.892 104.0 52.1 -59.7 -39.6 -1.0 24.4 73.3 33 33 A E H >> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.877 108.2 52.7 -64.3 -34.8 -0.5 25.7 69.8 34 34 A L H 3X S+ 0 0 17 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.761 105.6 53.1 -71.9 -25.5 3.0 24.1 69.9 35 35 A T H 3< S+ 0 0 54 -4,-1.5 6,-2.3 -3,-0.3 -1,-0.2 0.508 111.6 47.2 -87.0 -4.3 1.5 20.8 70.9 36 36 A L H <4 S+ 0 0 18 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.783 114.3 44.6 -98.7 -38.8 -0.8 20.9 67.9 37 37 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.861 132.4 5.9 -72.4 -39.4 1.9 21.9 65.4 38 38 A Y S X S+ 0 0 30 -4,-1.7 4,-2.8 1,-0.3 5,-0.3 -0.249 107.4 23.3-122.0-149.4 4.4 19.4 66.7 39 39 A T T 4 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 -0.357 117.3 1.2 -66.0 142.7 4.2 16.5 69.2 40 40 A P T >4 S+ 0 0 92 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.983 129.7 50.5 -96.3 -11.7 2.0 15.1 70.2 41 41 A G T >4 S+ 0 0 9 -6,-2.3 3,-2.7 1,-0.3 -2,-0.2 0.887 101.7 63.9 -47.5 -47.6 -0.8 16.7 68.2 42 42 A V T 3X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.3 -1,-0.3 0.721 88.0 73.5 -53.6 -19.8 1.0 16.2 64.9 43 43 A A H <> S+ 0 0 13 -3,-2.3 4,-1.9 -5,-0.3 -1,-0.3 0.818 87.4 64.0 -64.2 -29.3 0.7 12.5 65.5 44 44 A E H <> S+ 0 0 38 -3,-2.7 4,-1.6 -4,-0.4 -1,-0.2 0.920 102.4 42.3 -64.5 -49.6 -3.0 12.7 64.7 45 45 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.899 111.3 60.2 -67.1 -31.8 -2.9 13.7 61.1 46 46 A C H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.914 102.8 49.3 -57.1 -47.6 -0.0 11.2 60.6 47 47 A K H X S+ 0 0 65 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.917 109.6 53.3 -59.7 -41.9 -2.2 8.3 61.6 48 48 A E H X S+ 0 0 32 -4,-1.6 4,-2.6 1,-0.2 7,-0.3 0.944 110.3 46.4 -58.8 -47.6 -4.8 9.5 59.2 49 49 A I H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.4 52.5 -67.3 -28.6 -2.4 9.6 56.3 50 50 A A H < S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.818 114.4 43.4 -75.1 -30.0 -0.9 6.1 57.2 51 51 A R H < S+ 0 0 176 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.836 136.8 13.1 -81.4 -35.2 -4.5 4.7 57.1 52 52 A D >< - 0 0 84 -4,-2.6 3,-2.9 -5,-0.2 -1,-0.3 -0.776 66.4-164.6-144.0 92.4 -5.4 6.6 54.0 53 53 A P G > S+ 0 0 72 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.734 87.1 72.0 -50.3 -23.4 -2.4 8.1 52.1 54 54 A G G > S+ 0 0 30 1,-0.3 3,-1.3 2,-0.1 4,-0.2 0.770 81.4 73.0 -64.7 -23.9 -4.9 10.3 50.2 55 55 A K G X> S+ 0 0 69 -3,-2.9 3,-1.3 -7,-0.3 4,-1.1 0.560 70.2 88.6 -67.1 -8.7 -5.4 12.3 53.3 56 56 A V H <> S+ 0 0 1 -3,-1.8 4,-1.4 1,-0.3 3,-0.4 0.868 85.1 54.9 -57.8 -35.2 -1.9 13.8 52.9 57 57 A Y H <4 S+ 0 0 25 -3,-1.3 -1,-0.3 -4,-0.2 392,-0.3 0.711 105.0 56.1 -69.8 -19.2 -3.7 16.5 50.8 58 58 A E H <4 S+ 0 0 61 -3,-1.3 392,-0.3 -4,-0.2 -1,-0.2 0.759 119.7 22.7 -85.3 -26.5 -5.9 17.1 53.8 59 59 A Y H < S+ 0 0 15 -4,-1.1 2,-0.2 -3,-0.4 -2,-0.2 0.393 114.5 55.0-124.6 3.0 -3.3 17.9 56.4 60 60 A T S < S- 0 0 1 -4,-1.4 389,-0.3 -5,-0.2 3,-0.3 -0.689 81.3-110.6-127.4-178.9 -0.2 19.0 54.7 61 61 A S S > S+ 0 0 3 -2,-0.2 3,-1.8 1,-0.2 4,-0.5 0.345 83.8 108.4 -94.8 6.4 0.9 21.7 52.2 62 62 A K G > + 0 0 1 -6,-0.3 3,-1.9 1,-0.3 68,-0.6 0.884 66.6 64.9 -48.6 -50.0 1.5 19.1 49.4 63 63 A G G 3 S+ 0 0 22 -3,-0.3 -1,-0.3 1,-0.3 280,-0.1 0.712 114.3 30.8 -50.2 -26.2 -1.5 20.1 47.4 64 64 A N G < S+ 0 0 11 -3,-1.8 40,-2.0 383,-0.1 2,-0.5 0.306 97.7 104.2-118.9 12.3 -0.1 23.6 46.7 65 65 A L E < -b 104 0B 0 -3,-1.9 65,-2.9 -4,-0.5 66,-1.0 -0.811 42.7-179.7 -99.1 126.4 3.7 22.8 46.8 66 66 A V E -bc 105 131B 0 38,-2.6 40,-2.4 -2,-0.5 2,-0.6 -0.987 19.8-140.9-128.1 132.3 5.6 22.6 43.5 67 67 A A E -bc 106 132B 0 64,-2.2 66,-3.1 -2,-0.4 2,-1.0 -0.824 6.9-149.3 -93.7 123.3 9.3 21.9 43.2 68 68 A V E -bc 107 133B 0 38,-2.3 40,-3.2 -2,-0.6 2,-0.4 -0.855 30.4-165.3 -91.9 105.5 11.2 23.9 40.6 69 69 A V E +bc 108 134B 0 64,-2.6 66,-3.0 -2,-1.0 2,-0.3 -0.817 20.6 147.9-106.0 136.3 13.8 21.3 39.7 70 70 A S E -b 109 0B 0 38,-1.8 40,-3.0 -2,-0.4 66,-0.1 -0.987 38.8-154.2-157.5 158.6 17.0 21.7 37.8 71 71 A D - 0 0 1 64,-0.4 11,-0.1 -2,-0.3 65,-0.1 0.318 53.1-114.7-114.6 0.9 20.5 20.3 37.5 72 72 A G S S+ 0 0 0 63,-0.4 10,-1.6 64,-0.2 9,-1.4 0.781 76.4 131.8 70.0 28.6 21.9 23.5 36.0 73 73 A S S S+ 0 0 7 63,-0.5 64,-0.2 7,-0.2 66,-0.1 0.707 81.8 18.3 -83.9 -20.8 22.7 21.8 32.7 74 74 A R S S+ 0 0 105 62,-1.9 2,-0.7 61,-0.2 -1,-0.2 -0.446 76.4 178.4-148.0 67.5 21.1 24.5 30.6 75 75 A I B >> -E 79 0C 0 4,-2.2 3,-2.9 -3,-0.4 4,-0.7 -0.610 59.3 -68.5 -82.1 111.5 20.7 27.7 32.7 76 76 A L T 34 S- 0 0 47 -2,-0.7 3,-0.1 1,-0.3 10,-0.0 -0.194 106.8 -32.4 47.4-120.2 19.1 30.4 30.6 77 77 A G T 34 S+ 0 0 80 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.222 125.5 85.8-112.2 11.3 21.8 31.3 28.0 78 78 A L T <4 S- 0 0 60 -3,-2.9 -2,-0.2 1,-0.3 -1,-0.1 0.581 83.1-149.4 -85.4 -11.1 24.8 30.6 30.4 79 79 A G B < +E 75 0C 28 -4,-0.7 -4,-2.2 -3,-0.1 2,-1.2 -0.392 56.4 0.1 78.0-155.7 24.7 26.9 29.5 80 80 A N S S+ 0 0 90 -6,-0.2 -7,-0.2 1,-0.2 -6,-0.1 -0.557 71.4 148.1 -72.8 95.9 25.8 24.1 31.8 81 81 A I > - 0 0 39 -9,-1.4 4,-0.6 -2,-1.2 -8,-0.2 0.282 51.3-112.0-115.8 12.0 26.8 25.9 35.0 82 82 A G H > - 0 0 15 -10,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.068 37.4 -69.4 83.1 165.0 25.9 23.5 37.8 83 83 A P H 4 S+ 0 0 21 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.723 125.8 51.9 -67.0 -25.8 23.3 23.4 40.7 84 84 A L H >4 S+ 0 0 45 2,-0.2 3,-1.8 -3,-0.2 -2,-0.1 0.976 108.9 44.4 -76.8 -60.5 24.9 26.3 42.6 85 85 A A H 3< S+ 0 0 3 -4,-0.6 4,-0.2 1,-0.3 396,-0.2 0.662 114.6 54.2 -59.3 -15.2 25.3 29.0 40.0 86 86 A G T >X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 3,-0.5 0.512 79.9 89.8 -99.2 -5.0 21.7 28.2 38.9 87 87 A L H <> S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.3 5,-0.3 0.853 81.3 58.7 -60.8 -36.7 19.9 28.6 42.2 88 88 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.874 106.0 50.9 -62.2 -32.7 19.2 32.3 41.6 89 89 A V H <> S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.888 111.6 45.9 -69.8 -40.2 17.3 31.4 38.5 90 90 A X H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.841 109.9 53.1 -73.3 -33.1 15.2 28.8 40.3 91 91 A E H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.918 111.5 48.2 -65.9 -39.8 14.5 31.1 43.2 92 92 A G H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.899 110.7 50.4 -65.0 -41.3 13.3 33.6 40.6 93 93 A K H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.940 108.9 51.3 -60.7 -49.2 11.2 31.0 38.9 94 94 A A H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 11,-0.5 0.799 104.5 59.1 -58.5 -32.5 9.6 29.9 42.2 95 95 A L H X S+ 0 0 3 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.908 104.0 49.5 -62.7 -45.8 8.7 33.6 42.9 96 96 A L H X>S+ 0 0 10 -4,-1.5 4,-2.1 -3,-0.3 5,-0.6 0.853 104.8 58.4 -66.3 -34.8 6.7 33.9 39.7 97 97 A F H X>S+ 0 0 0 -4,-1.6 6,-1.9 3,-0.2 4,-1.8 0.945 112.8 41.2 -53.7 -47.0 4.8 30.7 40.6 98 98 A K H X5S+ 0 0 10 -4,-1.6 4,-1.1 4,-0.3 -2,-0.2 0.945 116.2 45.5 -67.2 -53.4 3.7 32.4 43.8 99 99 A R H <5S+ 0 0 34 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.849 127.8 24.9 -62.3 -38.8 3.0 35.9 42.6 100 100 A F H <5S+ 0 0 11 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.715 134.8 26.9-104.0 -23.0 1.0 34.9 39.5 101 101 A G H < S- 0 0 71 1,-0.1 4,-2.7 2,-0.0 3,-0.4 -0.701 70.0-138.3 -81.3 119.1 23.0 11.7 34.6 115 115 A P H > S+ 0 0 31 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.796 95.1 49.7 -43.4 -49.8 19.3 11.2 33.5 116 116 A N H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.912 117.1 39.8 -64.7 -42.9 18.6 7.8 35.2 117 117 A K H > S+ 0 0 119 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.882 114.6 55.2 -72.1 -36.2 19.9 8.8 38.6 118 118 A F H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 108.1 49.0 -59.4 -45.7 18.3 12.3 38.1 119 119 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.891 110.2 49.9 -62.4 -42.2 15.0 10.6 37.5 120 120 A D H X S+ 0 0 74 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.819 108.5 53.5 -68.6 -29.3 15.3 8.4 40.6 121 121 A I H X S+ 0 0 11 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.915 108.9 48.5 -70.3 -42.2 16.2 11.4 42.8 122 122 A V H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.910 112.2 48.4 -63.6 -42.8 13.1 13.3 41.6 123 123 A K H < S+ 0 0 59 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.858 109.4 54.8 -65.6 -34.1 10.9 10.3 42.3 124 124 A A H < S+ 0 0 7 -4,-1.7 419,-1.9 1,-0.2 -1,-0.2 0.854 115.1 37.4 -66.7 -37.7 12.5 9.9 45.8 125 125 A I H >< S+ 0 0 0 -4,-1.8 3,-0.8 417,-0.2 4,-0.5 0.400 90.8 94.9 -95.7 1.3 11.7 13.6 46.7 126 126 A A G >< + 0 0 3 -4,-0.7 3,-2.0 -3,-0.4 -1,-0.2 0.887 65.8 75.3 -61.0 -40.6 8.2 13.6 45.1 127 127 A P G 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 415,-0.1 0.792 92.5 55.8 -40.5 -38.2 6.3 12.7 48.2 128 128 A T G < S+ 0 0 0 -3,-0.8 2,-0.2 413,-0.5 -2,-0.2 0.812 105.6 59.8 -66.9 -33.0 6.8 16.2 49.6 129 129 A F < - 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0 0 0 -2,-0.3 13,-0.1 64,-0.3 11,-0.1 0.247 53.7-116.5-105.8 7.9 12.3 8.8 54.9 504 72 B G S > S+ 0 0 0 63,-0.4 10,-1.8 64,-0.2 9,-1.4 0.708 73.8 134.0 65.4 23.9 9.7 8.2 57.6 505 73 B S T 3 S+ 0 0 6 63,-0.4 64,-0.2 1,-0.2 66,-0.1 0.648 79.5 22.6 -79.5 -14.8 11.3 5.1 58.9 506 74 B R T 3 S+ 0 0 111 62,-1.7 2,-0.4 61,-0.2 -1,-0.2 -0.408 77.0 176.7-150.4 69.5 11.0 6.0 62.5 507 75 B I B X> -P 511 0H 0 4,-2.6 3,-2.7 -3,-0.5 4,-1.3 -0.757 55.9 -69.3 -81.8 122.0 8.3 8.6 63.1 508 76 B L T 34 S- 0 0 42 -2,-0.4 3,-0.2 1,-0.3 -469,-0.0 0.128 107.0 -31.2 36.5-120.9 7.7 9.6 66.7 509 77 B G T 34 S+ 0 0 77 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 -0.320 127.0 82.6-119.2 45.3 6.1 6.6 68.3 510 78 B L T <4 S- 0 0 57 -3,-2.7 2,-0.2 1,-0.2 -2,-0.2 0.495 82.4-144.6-120.8 -15.5 4.4 5.3 65.3 511 79 B G B < -P 507 0H 31 -4,-1.3 -4,-2.6 -3,-0.2 2,-1.2 -0.540 57.4 -5.0 88.9-152.5 7.3 3.5 63.6 512 80 B N S S+ 0 0 91 -6,-0.2 -7,-0.2 -2,-0.2 -6,-0.1 -0.701 71.5 146.9 -84.0 93.8 8.0 3.1 59.9 513 81 B I - 0 0 43 -9,-1.4 4,-0.4 -2,-1.2 -1,-0.2 0.519 51.7-114.8-107.7 -10.1 5.0 4.8 58.3 514 82 B G > - 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0 0 7 -34,-2.0 3,-0.8 -37,-0.8 -19,-0.3 0.956 61.9-175.8 48.9 70.7 31.4 -1.2 82.2 682 250 B G T 3 S+ 0 0 55 -37,-1.7 -1,-0.1 1,-0.2 -36,-0.1 0.778 81.7 50.4 -67.1 -28.6 35.0 -1.6 83.0 683 251 B E T 3 S- 0 0 151 -38,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.567 108.2-126.3 -85.7 -8.9 34.4 -3.9 85.9 684 252 B N < - 0 0 59 -3,-0.8 -2,-0.1 1,-0.2 2,-0.1 0.891 34.0-168.0 65.1 43.3 32.1 -6.1 83.7 685 253 B I - 0 0 46 -25,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.378 6.5-149.5 -63.2 138.3 29.1 -5.9 86.1 686 254 B E + 0 0 133 -2,-0.1 2,-0.3 -28,-0.1 -26,-0.1 -0.837 42.9 60.0-116.1 151.0 26.4 -8.4 85.1 687 255 B G S S- 0 0 6 -2,-0.3 -28,-2.5 -28,-0.3 -2,-0.0 -0.908 70.8 -69.7 137.1-164.0 22.7 -8.5 85.5 688 256 B G S > S- 0 0 9 -2,-0.3 4,-2.1 -30,-0.3 5,-0.2 -0.192 72.3 -49.8-111.1-155.9 19.6 -6.5 84.4 689 257 B P H > S+ 0 0 25 0, 0.0 4,-0.8 0, 0.0 -31,-0.1 0.822 131.7 51.6 -47.3 -42.5 18.1 -3.0 85.1 690 258 B Q H >> S+ 0 0 79 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.957 110.2 46.2 -64.3 -52.0 18.2 -3.5 88.9 691 259 B E H >4 S+ 0 0 73 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.855 107.2 59.0 -60.1 -36.4 21.9 -4.4 89.0 692 260 B A H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.771 105.5 51.5 -63.9 -24.9 22.8 -1.5 86.6 693 261 B L H X< S+ 0 0 0 -3,-1.0 3,-2.3 -4,-0.8 -1,-0.2 0.699 79.1 112.0 -86.4 -21.2 21.3 0.8 89.2 694 262 B K T << S- 0 0 116 -4,-0.9 24,-0.3 -3,-0.6 3,-0.1 -0.361 99.2 -7.3 -59.2 122.9 23.2 -0.4 92.2 695 263 B D T 3 S+ 0 0 70 22,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.636 99.3 142.8 63.8 18.5 25.6 2.4 93.3 696 264 B A < - 0 0 0 -3,-2.3 23,-2.2 21,-0.2 -1,-0.2 -0.655 40.4-161.0 -87.8 145.2 24.8 4.4 90.2 697 265 B D S S+ 0 0 14 -77,-2.6 26,-2.0 -2,-0.3 2,-0.3 0.765 75.4 31.1 -93.2 -31.4 24.6 8.2 90.7 698 266 B V E -rt 621 723I 0 -78,-2.0 -76,-2.8 24,-0.2 2,-0.4 -0.960 59.5-165.4-133.0 147.0 22.6 8.9 87.5 699 267 B L E +rt 622 724I 0 24,-2.1 26,-2.6 -2,-0.3 2,-0.4 -0.999 7.0 179.1-131.6 129.0 20.0 7.0 85.5 700 268 B I E -rt 623 725I 0 -78,-2.4 -76,-2.8 -2,-0.4 2,-0.4 -0.992 12.3-174.2-131.8 122.1 19.0 8.0 82.0 701 269 B S E +rt 624 726I 0 24,-2.5 26,-1.6 -2,-0.4 -76,-0.1 -0.964 26.9 173.0-127.6 139.8 16.3 5.9 80.2 702 270 B F + 0 0 48 -78,-2.0 -75,-0.2 -2,-0.4 -72,-0.2 -0.534 51.2 109.7-133.6 60.1 14.8 5.7 76.8 703 271 B T S S- 0 0 59 1,-0.2 26,-0.4 -78,-0.1 -2,-0.0 -0.026 71.4 -32.5-113.4-142.2 12.7 2.6 77.0 704 272 B R - 0 0 181 24,-0.1 -1,-0.2 1,-0.1 24,-0.2 -0.568 57.2-130.8 -87.1 147.2 9.0 1.8 77.1 705 273 B P + 0 0 48 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.312 58.9 80.2 -73.2-158.7 6.3 4.0 78.7 706 274 B G S > S- 0 0 23 22,-0.1 3,-0.6 2,-0.1 22,-0.1 0.219 85.8 -72.4 70.9 157.7 3.5 3.4 81.2 707 275 B P T 3 S+ 0 0 91 0, 0.0 27,-0.2 0, 0.0 26,-0.1 -0.368 110.3 43.9 -80.4 166.5 4.2 3.2 84.9 708 276 B G T 3 S+ 0 0 63 2,-0.3 3,-0.2 25,-0.3 26,-0.2 0.569 74.7 111.4 79.6 9.2 5.9 0.2 86.6 709 277 B V S < S+ 0 0 28 24,-1.8 2,-0.6 -3,-0.6 25,-0.2 0.889 85.6 34.2 -79.1 -42.5 8.7 -0.1 83.9 710 278 B I S S- 0 0 2 23,-1.6 -2,-0.3 22,-0.1 -1,-0.3 -0.972 93.4-136.4-114.1 118.1 11.3 1.0 86.4 711 279 B K >> - 0 0 92 -2,-0.6 4,-1.0 -3,-0.2 3,-0.7 -0.524 8.2-133.9 -80.4 141.3 10.6 -0.2 89.9 712 280 B P H >> S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.897 103.4 67.3 -55.1 -44.7 11.0 2.1 93.0 713 281 B Q H >4 S+ 0 0 92 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.876 98.9 50.4 -44.6 -47.7 12.7 -0.7 94.8 714 282 B W H X4 S+ 0 0 37 -3,-0.7 3,-1.9 1,-0.2 -1,-0.3 0.865 101.8 59.5 -63.1 -39.5 15.7 -0.5 92.4 715 283 B I H X< S+ 0 0 4 -4,-1.0 3,-2.0 -3,-0.6 -1,-0.2 0.833 93.0 69.9 -58.4 -31.6 16.1 3.2 92.8 716 284 B E T << S+ 0 0 106 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.688 94.5 55.3 -61.0 -19.4 16.7 2.6 96.5 717 285 B K T < S+ 0 0 93 -3,-1.9 -22,-2.9 -4,-0.3 -1,-0.3 0.337 85.4 100.2 -97.6 6.5 20.0 1.0 95.7 718 286 B X S < S- 0 0 14 -3,-2.0 -21,-0.2 -24,-0.3 -24,-0.1 -0.395 86.2 -85.8 -81.6 167.9 21.4 4.0 93.8 719 287 B N - 0 0 56 -23,-2.2 3,-0.5 -26,-0.2 -1,-0.2 -0.021 59.8 -72.9 -64.9 179.3 23.9 6.3 95.6 720 288 B E S S+ 0 0 158 1,-0.2 -1,-0.1 -3,-0.1 24,-0.1 -0.380 117.3 25.2 -71.6 153.7 22.7 9.2 97.7 721 289 B D S S- 0 0 44 22,-0.3 -1,-0.2 1,-0.1 23,-0.1 0.895 88.6-164.5 58.2 45.6 21.3 12.2 95.8 722 290 B A - 0 0 2 -3,-0.5 23,-1.9 21,-0.5 24,-1.8 -0.230 14.5-146.7 -64.4 147.0 20.3 10.2 92.8 723 291 B I E -tu 698 746I 1 -26,-2.0 -24,-2.1 22,-0.2 2,-0.5 -0.981 17.3-167.7-116.3 119.8 19.4 11.9 89.5 724 292 B V E -tu 699 747I 0 22,-2.8 24,-2.3 -2,-0.5 -24,-0.2 -0.947 13.7-179.0-117.3 121.4 16.7 10.0 87.6 725 293 B F E +t 700 0I 0 -26,-2.6 -24,-2.5 -2,-0.5 2,-1.7 -0.652 3.0 176.7-119.0 74.1 15.8 10.7 83.9 726 294 B P E +t 701 0I 0 0, 0.0 24,-0.4 0, 0.0 -24,-0.1 -0.603 11.7 169.5 -78.7 87.9 12.9 8.4 82.9 727 295 B L + 0 0 11 -2,-1.7 -25,-0.1 -26,-1.6 22,-0.1 0.125 22.6 126.7 -92.3 19.7 12.6 9.8 79.4 728 296 B A - 0 0 4 -24,-0.2 22,-0.4 -22,-0.1 -24,-0.1 -0.388 57.5 -96.5 -72.9 156.5 10.2 7.4 77.7 729 297 B N S S+ 0 0 100 -26,-0.4 -2,-0.0 1,-0.1 -1,-0.0 -0.943 87.7 4.7-126.5 151.3 7.1 8.8 76.1 730 298 B P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.983 135.8 19.1 -82.9 -16.6 4.2 9.3 76.6 731 299 B V S S- 0 0 44 20,-0.0 4,-0.0 19,-0.0 -25,-0.0 -0.939 85.2-116.0-114.8 134.1 4.5 8.0 80.2 732 300 B P - 0 0 0 0, 0.0 -23,-0.2 0, 0.0 -5,-0.1 -0.351 26.7-112.2 -68.3 147.5 7.8 7.9 82.0 733 301 B E S S+ 0 0 0 1,-0.2 -24,-1.8 -26,-0.1 -23,-1.6 0.796 106.9 16.7 -44.9 -38.8 9.2 4.4 83.1 734 302 B I S S- 0 0 3 -25,-0.2 -1,-0.2 -27,-0.2 -23,-0.1 -0.992 91.9-112.2-140.5 131.3 8.6 5.5 86.7 735 303 B L >> - 0 0 60 -2,-0.4 4,-1.8 1,-0.1 3,-0.9 -0.390 30.5-116.3 -63.8 137.7 6.5 8.4 87.9 736 304 B P H 3> S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.805 114.5 46.2 -42.1 -44.4 8.4 11.4 89.4 737 305 B E H 3> S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 108.5 55.6 -72.8 -32.6 6.9 11.0 92.8 738 306 B E H <> S+ 0 0 69 -3,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.845 111.5 44.7 -66.7 -32.7 7.3 7.2 92.9 739 307 B A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 -1,-0.2 0.791 112.3 51.3 -80.4 -31.0 11.1 7.7 92.3 740 308 B K H ><5S+ 0 0 54 -4,-1.6 3,-2.1 -5,-0.3 -2,-0.2 0.897 105.8 54.4 -71.9 -41.3 11.3 10.5 94.8 741 309 B K H 3<5S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.9 56.3 -60.3 -29.5 9.6 8.3 97.5 742 310 B A T 3<5S- 0 0 10 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.382 133.5 -87.9 -84.3 2.7 12.4 5.8 96.6 743 311 B G T < 5S+ 0 0 52 -3,-2.1 -21,-0.5 1,-0.3 -22,-0.3 0.327 76.7 145.2 111.9 -10.6 15.1 8.3 97.4 744 312 B A < - 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