==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-SEP-04 1XI2 . COMPND 2 MOLECULE: NRH DEHYDROGENASE [QUINONE] 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.FU,L.BURYANOVSKYY,Z.ZHANG . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 4.6 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 1 1 0 0 0 2 3 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 A 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.4 30.2 -19.0 7.8 2 2 A G - 0 0 64 1,-0.0 2,-0.3 32,-0.0 32,-0.1 0.133 360.0 -98.3 63.8 174.9 31.9 -17.3 10.7 3 3 A K - 0 0 94 30,-0.2 32,-2.7 2,-0.0 2,-0.4 -0.976 19.6-143.4-134.2 146.5 31.9 -13.6 11.6 4 4 A K E -a 35 0A 86 -2,-0.3 91,-3.0 30,-0.2 92,-1.6 -0.923 17.4-169.4-111.8 135.0 34.4 -10.8 10.9 5 5 A V E -ab 36 96A 2 30,-3.1 32,-2.1 -2,-0.4 2,-0.5 -0.977 9.1-163.2-127.3 136.5 34.9 -8.1 13.5 6 6 A L E -ab 37 97A 2 90,-2.6 92,-2.7 -2,-0.4 2,-0.6 -0.978 6.5-160.9-116.8 128.7 36.8 -4.8 13.1 7 7 A I E -ab 38 98A 0 30,-2.8 32,-3.0 -2,-0.5 2,-0.8 -0.955 2.5-160.4-111.5 116.7 37.8 -3.0 16.3 8 8 A V E -ab 39 99A 0 90,-2.8 92,-2.6 -2,-0.6 2,-0.5 -0.888 20.0-166.6 -97.8 110.4 38.6 0.7 15.8 9 9 A Y E -ab 40 100A 4 30,-2.3 32,-1.7 -2,-0.8 33,-0.4 -0.864 17.2-175.4-108.8 129.4 40.6 1.6 18.9 10 10 A A + 0 0 0 90,-2.7 2,-0.3 -2,-0.5 102,-0.1 -0.627 38.6 107.9-126.6 75.4 41.5 5.1 20.0 11 11 A H - 0 0 23 -2,-0.3 31,-0.2 90,-0.1 32,-0.2 -0.989 52.7-145.7-147.1 140.2 43.8 5.2 23.1 12 12 A Q S S+ 0 0 36 -2,-0.3 284,-0.1 1,-0.1 -1,-0.1 0.706 81.6 66.8 -76.2 -21.9 47.4 6.2 23.4 13 13 A E > - 0 0 21 283,-0.1 3,-1.8 1,-0.1 6,-0.4 -0.897 59.0-160.0-113.5 118.2 48.3 3.8 26.2 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.837 97.7 53.1 -57.9 -34.1 48.4 -0.1 25.9 15 15 A K T 3 S+ 0 0 125 279,-0.2 280,-0.0 4,-0.1 5,-0.0 0.428 89.0 113.8 -82.9 1.4 48.1 -0.4 29.7 16 16 A S S <> S- 0 0 13 -3,-1.8 4,-2.2 1,-0.1 5,-0.1 -0.135 83.4-109.8 -69.5 168.0 45.0 1.8 29.8 17 17 A F H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 123.8 51.8 -63.5 -40.4 41.5 0.7 30.8 18 18 A N H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 106.8 52.9 -61.8 -41.5 40.6 1.2 27.1 19 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.903 108.8 49.8 -60.9 -41.3 43.5 -1.0 26.1 20 20 A S H X S+ 0 0 50 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 109.7 50.4 -65.6 -38.3 42.3 -3.7 28.4 21 21 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.890 112.3 47.8 -67.1 -38.3 38.7 -3.5 27.0 22 22 A K H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 112.6 48.6 -66.9 -43.2 40.2 -3.8 23.5 23 23 A N H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.860 109.4 51.9 -65.9 -36.0 42.4 -6.7 24.5 24 24 A V H X S+ 0 0 33 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.882 109.5 50.7 -66.8 -37.8 39.5 -8.5 26.2 25 25 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 5,-0.4 0.926 111.7 47.3 -65.4 -44.8 37.4 -8.1 23.0 26 26 A V H X S+ 0 0 40 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.949 114.3 47.6 -61.3 -47.7 40.2 -9.5 20.9 27 27 A D H X S+ 0 0 110 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.941 116.8 41.0 -58.5 -52.3 40.7 -12.5 23.3 28 28 A E H X S+ 0 0 20 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.913 117.7 45.0 -66.0 -45.9 37.0 -13.4 23.6 29 29 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.3 4,-0.4 0.877 114.7 50.1 -67.5 -35.5 36.1 -12.9 19.9 30 30 A S H ><5S+ 0 0 72 -4,-2.3 3,-1.3 -5,-0.4 -2,-0.2 0.904 108.2 53.0 -67.5 -39.9 39.3 -14.8 18.9 31 31 A R H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 103.7 57.4 -62.3 -35.7 38.4 -17.6 21.3 32 32 A Q T 3<5S- 0 0 58 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.607 122.2-108.0 -70.6 -13.4 34.9 -17.8 19.6 33 33 A G T < 5 + 0 0 61 -3,-1.3 -3,-0.2 -4,-0.4 -30,-0.2 0.533 69.2 149.5 96.0 8.3 36.7 -18.4 16.3 34 34 A C < - 0 0 17 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.340 53.6-113.6 -73.6 155.8 35.8 -15.0 14.9 35 35 A T E -a 4 0A 68 -32,-2.7 -30,-3.1 -2,-0.1 2,-0.4 -0.816 42.1-167.1 -89.3 123.2 38.0 -13.2 12.4 36 36 A V E +a 5 0A 41 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.958 17.5 176.0-124.7 134.3 39.4 -10.1 14.2 37 37 A T E -a 6 0A 61 -32,-2.1 -30,-2.8 -2,-0.4 2,-0.4 -0.989 12.4-157.1-132.0 139.6 41.2 -7.0 13.0 38 38 A V E -a 7 0A 50 -2,-0.4 2,-0.8 -32,-0.2 -30,-0.2 -0.971 8.7-159.2-122.7 130.5 42.2 -4.0 15.0 39 39 A S E -a 8 0A 0 -32,-3.0 -30,-2.3 -2,-0.4 2,-1.5 -0.898 11.1-165.9-106.4 97.8 42.9 -0.5 13.8 40 40 A D E > -a 9 0A 45 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 -0.698 6.8-168.3 -85.4 87.8 45.0 1.0 16.5 41 41 A L T 4>S+ 0 0 0 -32,-1.7 5,-2.5 -2,-1.5 4,-0.4 0.845 79.0 45.2 -50.3 -47.6 44.7 4.6 15.4 42 42 A Y T >45S+ 0 0 21 -33,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.904 113.2 50.2 -67.3 -38.9 47.4 6.2 17.5 43 43 A A T 345S+ 0 0 70 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.818 112.1 49.5 -65.9 -30.2 49.9 3.5 16.8 44 44 A M T 3<5S- 0 0 79 -4,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.511 106.1-130.7 -83.9 -7.7 49.1 4.0 13.1 45 45 A N T < 5 - 0 0 117 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.897 35.3-155.7 55.1 39.8 49.6 7.8 13.5 46 46 A F < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 68,-0.1 -0.188 11.8-120.0 -52.7 129.9 46.2 7.9 11.7 47 47 A E - 0 0 52 -3,-0.1 -1,-0.1 1,-0.1 71,-0.1 -0.599 29.3-178.0 -74.6 119.8 45.7 11.2 9.8 48 48 A P + 0 0 0 0, 0.0 293,-0.3 0, 0.0 294,-0.2 0.728 49.3 99.0 -91.4 -22.0 42.6 12.9 11.1 49 49 A R - 0 0 33 292,-0.1 2,-1.0 293,-0.1 -2,-0.0 -0.456 67.7-137.8 -73.4 134.4 42.5 16.0 8.8 50 50 A A + 0 0 2 -2,-0.2 2,-0.3 2,-0.0 17,-0.1 -0.792 47.8 147.4 -88.9 103.7 40.2 16.0 5.8 51 51 A T > - 0 0 30 -2,-1.0 3,-1.9 16,-0.1 4,-0.1 -0.825 65.3 -96.2-133.9 174.3 42.5 17.6 3.1 52 52 A D G > S+ 0 0 83 1,-0.3 3,-1.1 -2,-0.3 -2,-0.0 0.537 112.2 78.1 -68.9 -4.7 43.2 17.4 -0.6 53 53 A K G 3 S+ 0 0 166 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.597 77.7 74.9 -77.6 -9.0 46.0 14.9 0.1 54 54 A D G < S+ 0 0 5 -3,-1.9 27,-1.9 26,-0.1 2,-0.4 0.511 89.3 66.7 -79.6 -5.3 43.2 12.4 0.5 55 55 A I B < S-F 80 0B 18 -3,-1.1 2,-0.3 25,-0.2 25,-0.2 -0.966 74.4-150.0-119.0 133.3 42.8 12.3 -3.3 56 56 A T + 0 0 86 23,-3.5 2,-0.5 -2,-0.4 -2,-0.0 -0.708 63.5 7.5-100.1 153.2 45.5 11.0 -5.6 57 57 A G S S- 0 0 73 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.685 116.3 -13.5 85.8-127.7 46.0 12.2 -9.1 58 58 A T - 0 0 134 -2,-0.5 -2,-0.1 2,-0.0 2,-0.0 -0.942 66.8-118.5-120.2 139.0 44.1 15.2 -10.3 59 59 A L - 0 0 41 -2,-0.4 6,-0.0 1,-0.1 11,-0.0 -0.328 20.4-122.7 -71.3 152.4 41.0 16.9 -8.6 60 60 A S S S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.562 110.4 14.2 -70.8 -6.8 37.7 17.1 -10.3 61 61 A N + 0 0 71 2,-0.0 3,-0.3 5,-0.0 -1,-0.3 -0.420 64.0 179.8-168.6 81.7 38.0 20.8 -9.7 62 62 A P S S+ 0 0 99 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.374 80.5 67.3 -69.5 6.8 41.5 22.1 -8.7 63 63 A E S S+ 0 0 141 1,-0.3 2,-0.5 -4,-0.0 -2,-0.0 0.910 112.2 17.7 -89.6 -55.9 40.0 25.6 -8.6 64 64 A V S S- 0 0 60 -3,-0.3 2,-0.7 181,-0.1 -1,-0.3 -0.983 80.3-139.7-121.8 119.5 37.6 25.3 -5.7 65 65 A F + 0 0 14 -2,-0.5 2,-0.6 -3,-0.2 179,-0.1 -0.713 21.8 176.7 -88.0 115.6 38.2 22.4 -3.3 66 66 A N > - 0 0 58 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 -0.934 14.4-161.2-115.9 102.4 35.0 20.7 -2.0 67 67 A Y H > S+ 0 0 16 -2,-0.6 4,-2.6 1,-0.2 5,-0.3 0.883 88.0 50.6 -51.4 -46.7 36.1 17.8 0.2 68 68 A G H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 54,-0.2 0.931 115.1 40.8 -59.8 -49.1 32.8 16.0 -0.0 69 69 A V H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 115.8 51.2 -65.6 -47.1 32.5 16.2 -3.8 70 70 A E H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.891 112.7 44.2 -58.7 -44.2 36.2 15.4 -4.4 71 71 A T H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.864 111.8 52.7 -72.2 -33.9 36.2 12.3 -2.1 72 72 A H H X S+ 0 0 33 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.949 114.6 43.0 -63.5 -47.0 32.9 11.0 -3.5 73 73 A E H X S+ 0 0 72 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.905 112.9 52.9 -63.5 -43.4 34.4 11.3 -7.0 74 74 A A H <>S+ 0 0 4 -4,-2.5 5,-3.3 -5,-0.2 6,-0.4 0.874 107.2 52.3 -61.6 -38.7 37.7 9.8 -5.9 75 75 A Y H ><5S+ 0 0 67 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.940 110.7 46.4 -63.2 -46.9 35.9 6.8 -4.4 76 76 A K H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 118.3 43.3 -67.4 -23.5 34.1 6.1 -7.7 77 77 A Q T 3<5S- 0 0 93 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.253 111.1-118.2-105.5 10.3 37.3 6.6 -9.6 78 78 A R T < 5S+ 0 0 195 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.905 76.0 126.5 54.2 47.0 39.5 4.6 -7.2 79 79 A S < + 0 0 40 -5,-3.3 -23,-3.5 -8,-0.1 2,-0.2 0.007 28.9 123.7-122.9 28.7 41.7 7.6 -6.5 80 80 A L B S-F 55 0B 16 -6,-0.4 -25,-0.2 -25,-0.2 -26,-0.1 -0.589 71.5 -91.1 -89.3 153.5 41.6 7.8 -2.7 81 81 A A >> - 0 0 15 -27,-1.9 4,-2.0 -2,-0.2 3,-0.6 -0.269 37.1-117.4 -59.2 148.2 44.7 7.8 -0.5 82 82 A S H 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.798 110.5 61.5 -61.6 -32.2 45.7 4.3 0.6 83 83 A D H 3> S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 109.1 44.5 -64.1 -34.3 45.3 4.9 4.3 84 84 A I H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.945 114.2 46.9 -72.4 -48.8 41.6 5.5 3.7 85 85 A T H X S+ 0 0 53 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.840 106.8 59.0 -64.4 -31.2 41.1 2.6 1.3 86 86 A D H X S+ 0 0 90 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.924 109.4 44.3 -62.2 -42.2 42.9 0.3 3.7 87 87 A E H X S+ 0 0 2 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.887 109.8 55.4 -69.2 -38.5 40.3 1.2 6.4 88 88 A Q H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.876 104.7 53.5 -63.1 -36.0 37.4 0.8 3.9 89 89 A K H X S+ 0 0 116 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 109.0 49.5 -64.0 -42.4 38.5 -2.7 3.0 90 90 A K H X S+ 0 0 51 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.914 114.6 44.2 -62.1 -43.3 38.4 -3.6 6.7 91 91 A V H < S+ 0 0 0 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.912 110.4 54.9 -68.3 -42.8 34.9 -2.1 7.2 92 92 A R H < S+ 0 0 119 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 113.0 41.8 -58.7 -40.2 33.6 -3.7 4.0 93 93 A E H < S+ 0 0 105 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.654 97.2 99.6 -83.5 -14.2 34.6 -7.2 5.1 94 94 A A < - 0 0 2 -4,-1.0 -89,-0.2 -3,-0.4 3,-0.1 -0.463 49.7-169.0 -78.4 143.6 33.5 -6.7 8.7 95 95 A D S S+ 0 0 54 -91,-3.0 46,-2.5 1,-0.3 2,-0.4 0.675 84.9 25.2 -95.6 -26.2 30.1 -8.0 10.0 96 96 A L E -bc 5 141A 1 -92,-1.6 -90,-2.6 44,-0.2 2,-0.5 -0.997 65.5-161.3-142.5 133.7 30.6 -6.0 13.2 97 97 A V E -bc 6 142A 0 44,-2.5 46,-2.2 -2,-0.4 2,-0.5 -0.969 9.4-166.8-118.9 117.6 32.6 -2.8 13.9 98 98 A I E -bc 7 143A 0 -92,-2.7 -90,-2.8 -2,-0.5 2,-0.6 -0.894 6.8-155.0-103.8 130.9 33.4 -2.0 17.6 99 99 A F E -bc 8 144A 1 44,-2.7 46,-3.3 -2,-0.5 2,-0.6 -0.937 9.4-167.8-106.3 122.1 34.6 1.4 18.4 100 100 A Q E +bc 9 145A 2 -92,-2.6 -90,-2.7 -2,-0.6 46,-0.2 -0.945 27.9 132.1-114.3 115.2 36.7 1.5 21.6 101 101 A F E - c 0 146A 1 44,-2.2 46,-1.5 -2,-0.6 2,-0.3 -0.999 55.2-110.4-162.3 155.1 37.4 4.9 23.0 102 102 A P E - c 0 147A 14 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.676 51.5-102.8 -84.8 141.7 37.5 7.3 26.0 103 103 A L - 0 0 24 44,-3.3 2,-0.5 -2,-0.3 5,-0.2 -0.516 38.9-169.9 -67.7 128.2 34.8 10.0 25.8 104 104 A Y B > S-G 107 0C 36 3,-2.7 3,-0.9 -2,-0.3 244,-0.1 -0.967 70.9 -23.1-122.7 111.9 36.4 13.3 24.8 105 105 A W T 3 S- 0 0 40 -2,-0.5 -1,-0.1 1,-0.3 301,-0.1 0.928 123.9 -53.2 52.0 53.0 34.1 16.3 25.0 106 106 A F T 3 S+ 0 0 9 1,-0.2 -1,-0.3 299,-0.2 2,-0.2 0.735 131.4 59.7 57.9 25.1 30.9 14.2 24.8 107 107 A S B < S-G 104 0C 6 -3,-0.9 -3,-2.7 294,-0.1 -1,-0.2 -0.761 96.9 -56.9-155.1-162.9 32.3 12.7 21.6 108 108 A V - 0 0 0 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.601 61.8 -91.2 -91.5 153.7 35.1 10.6 20.2 109 109 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.304 44.2-107.8 -58.7 149.8 38.8 11.7 20.4 110 110 A A H 3> S+ 0 0 1 1,-0.3 4,-2.5 169,-0.3 5,-0.2 0.807 118.1 59.4 -51.6 -35.6 39.8 13.7 17.3 111 111 A I H 3> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.900 110.9 42.2 -64.2 -35.3 41.9 10.9 15.8 112 112 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.839 110.0 56.4 -77.8 -34.0 38.7 8.7 15.7 113 113 A K H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 228,-0.2 0.922 106.8 52.5 -61.8 -38.3 36.6 11.6 14.5 114 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.856 104.4 54.1 -63.6 -37.3 39.1 11.8 11.6 115 115 A W H X>S+ 0 0 1 -4,-1.1 4,-2.8 2,-0.2 5,-0.5 0.940 112.4 45.0 -61.7 -45.8 38.6 8.1 10.9 116 116 A M H X5S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.955 113.8 48.5 -63.7 -48.9 34.9 8.7 10.6 117 117 A D H <5S+ 0 0 12 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 123.6 30.8 -57.0 -44.3 35.2 11.9 8.5 118 118 A R H <5S+ 0 0 3 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.812 121.8 43.9 -89.4 -33.4 37.7 10.4 6.0 119 119 A V H <5S+ 0 0 0 -4,-2.8 2,-1.5 -5,-0.3 -3,-0.2 0.865 104.3 61.9 -81.5 -38.6 36.8 6.7 5.9 120 120 A L S <>> - 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0 0 6 41,-1.5 45,-0.4 -2,-0.3 4,-0.1 -0.862 33.1-142.7-135.5 168.1 25.0 22.0 6.7 380 149 B G S S+ 0 0 49 -2,-0.3 45,-0.2 42,-0.2 -1,-0.1 0.804 88.4 73.2 -92.2 -41.0 24.3 19.7 3.8 381 150 B G S S- 0 0 13 1,-0.1 41,-1.0 2,-0.1 -2,-0.1 -0.319 86.5-113.4 -73.6 155.9 20.8 18.9 5.1 382 151 B T > - 0 0 47 39,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.353 27.4-105.2 -84.4 167.6 18.0 21.4 4.9 383 152 B A T >4 S+ 0 0 50 1,-0.2 3,-0.6 2,-0.2 12,-0.2 0.906 120.3 57.4 -57.5 -43.0 16.2 23.1 7.8 384 153 B E G >4 S+ 0 0 146 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.877 103.7 51.6 -56.0 -42.3 13.2 20.8 7.3 385 154 B M G 34 S+ 0 0 68 1,-0.3 7,-2.1 -3,-0.2 8,-0.6 0.802 103.8 62.1 -65.9 -28.1 15.4 17.7 7.8 386 155 B Y G << S+ 0 0 16 -4,-1.2 9,-1.8 -3,-0.6 2,-0.3 -0.315 84.9 99.8 -96.3 51.0 16.7 19.2 11.0 387 156 B T S X S- 0 0 36 -3,-0.7 3,-1.7 -2,-0.6 6,-0.6 -0.833 89.2 -97.4-126.8 165.3 13.3 19.3 12.9 388 157 B K T 3 S+ 0 0 147 1,-0.3 -164,-0.1 -2,-0.3 6,-0.1 0.912 128.9 37.3 -48.4 -50.2 11.8 17.0 15.5 389 158 B T T 3 S+ 0 0 145 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.428 101.6 105.1 -83.7 1.0 9.8 15.2 12.9 390 159 B G S < S- 0 0 18 -3,-1.7 3,-0.5 1,-0.1 -5,-0.2 -0.346 86.4-112.0 -78.1 164.0 12.7 15.5 10.4 391 160 B V S S+ 0 0 67 1,-0.2 -5,-0.1 2,-0.1 -1,-0.1 0.767 118.6 44.6 -67.5 -25.1 14.9 12.5 9.5 392 161 B N S S- 0 0 10 -7,-2.1 -1,-0.2 1,-0.2 -6,-0.2 0.558 109.7-126.9 -93.7 -11.5 17.9 14.2 11.3 393 162 B G - 0 0 1 -8,-0.6 -5,-0.3 -6,-0.6 -1,-0.2 -0.199 54.5 -31.4 84.4 173.6 15.9 15.2 14.4 394 163 B D >> - 0 0 39 1,-0.1 3,-1.6 -6,-0.1 4,-0.6 -0.348 57.3-123.3 -66.5 145.1 16.0 18.8 15.6 395 164 B S H >> S+ 0 0 23 -9,-1.8 4,-0.6 1,-0.3 3,-0.6 0.819 109.4 64.7 -56.4 -33.6 19.1 20.8 14.9 396 165 B R H >> S+ 0 0 92 1,-0.2 4,-0.8 -10,-0.2 3,-0.6 0.774 88.6 70.6 -63.3 -24.7 19.5 21.6 18.6 397 166 B Y H X4 S+ 0 0 13 -3,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.934 99.7 44.0 -58.6 -47.8 20.0 17.9 19.3 398 167 B F H << S+ 0 0 2 -4,-0.6 4,-0.4 -3,-0.6 -1,-0.2 0.607 103.1 67.5 -75.8 -8.5 23.5 17.8 17.7 399 168 B L H S+ 0 0 3 -3,-0.9 5,-2.0 -4,-0.8 4,-1.5 0.874 86.8 46.1 -48.9 -53.7 24.4 19.3 22.8 401 170 B P H 45S+ 0 0 7 0, 0.0 5,-0.4 0, 0.0 -1,-0.2 0.866 122.2 39.1 -61.5 -33.6 27.9 17.9 22.9 402 171 B L H >>S+ 0 0 6 -4,-0.4 5,-2.6 -3,-0.4 4,-0.5 0.954 123.6 33.4 -81.2 -56.3 29.4 21.1 21.7 403 172 B Q H <>S+ 0 0 0 -4,-3.2 5,-2.9 3,-0.2 -3,-0.2 0.944 136.2 20.5 -68.8 -48.0 27.4 23.8 23.5 404 173 B H I <>S+ 0 0 12 -4,-1.5 5,-1.4 -5,-0.5 -4,-0.1 0.954 126.3 43.8 -86.7 -58.4 26.8 21.9 26.8 405 174 B G I 44> + 0 0 5 -41,-1.0 4,-2.0 -2,-0.2 3,-0.5 0.784 61.8 171.6 33.7 61.5 22.1 23.6 2.9 423 192 B P T 34 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.810 75.0 61.7 -65.1 -27.3 24.1 26.4 1.0 424 193 B E T 34 S+ 0 0 123 -45,-0.4 -44,-0.1 1,-0.2 -2,-0.1 0.866 111.4 37.3 -65.7 -36.7 25.1 23.9 -1.7 425 194 B I T <4 S+ 0 0 135 -3,-0.5 -1,-0.2 -45,-0.2 -3,-0.1 0.786 101.6 94.9 -84.1 -31.2 21.4 23.3 -2.6 426 195 B A S < S- 0 0 16 -4,-2.0 2,-0.1 -5,-0.1 -4,-0.0 -0.103 78.7-111.1 -59.6 158.6 20.4 26.9 -2.1 427 196 B S > - 0 0 46 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.325 33.0 -97.6 -85.4 172.3 20.3 29.4 -4.9 428 197 B E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 126.1 47.3 -55.6 -46.8 22.7 32.4 -5.4 429 198 B E H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 111.7 49.6 -62.1 -45.5 20.1 34.7 -3.9 430 199 B E H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 111.6 49.6 -62.6 -38.3 19.5 32.4 -0.9 431 200 B R H X S+ 0 0 83 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.921 110.5 48.2 -67.6 -45.0 23.2 32.1 -0.3 432 201 B K H X S+ 0 0 130 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.860 110.8 54.9 -63.1 -33.4 23.8 35.8 -0.4 433 202 B G H X S+ 0 0 38 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.908 105.6 49.4 -66.3 -43.1 20.9 36.1 2.0 434 203 B M H X S+ 0 0 37 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.870 112.7 48.5 -64.9 -35.9 22.4 33.7 4.5 435 204 B V H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 112.4 47.5 -68.9 -46.1 25.7 35.6 4.4 436 205 B A H X S+ 0 0 50 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.840 107.9 56.6 -63.7 -33.5 24.0 39.0 4.8 437 206 B A H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.884 108.1 47.9 -65.2 -38.6 21.9 37.6 7.7 438 207 B W H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.944 113.7 46.0 -66.5 -49.5 25.0 36.6 9.6 439 208 B S H X S+ 0 0 29 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.916 113.2 51.1 -59.6 -43.1 26.6 40.0 9.0 440 209 B Q H >X S+ 0 0 133 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.910 109.4 49.8 -61.7 -43.2 23.4 41.7 10.0 441 210 B R H >< S+ 0 0 35 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.906 104.5 58.6 -62.8 -40.7 23.2 39.7 13.2 442 211 B L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 4,-0.3 0.784 89.7 73.2 -60.5 -26.8 26.8 40.6 14.1 443 212 B Q H << S+ 0 0 111 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.838 113.6 24.2 -55.8 -34.2 25.9 44.3 14.0 444 213 B T T X< S+ 0 0 73 -3,-1.5 3,-1.8 -4,-0.5 4,-0.4 0.095 84.3 119.8-120.6 23.7 24.1 43.7 17.3 445 214 B I G X S+ 0 0 1 -3,-1.2 3,-1.3 1,-0.3 -2,-0.1 0.835 71.4 60.5 -58.6 -33.9 25.9 40.7 18.7 446 215 B W G 3 S+ 0 0 71 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.579 100.3 55.7 -72.8 -8.4 27.1 42.6 21.8 447 216 B K G < S+ 0 0 174 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.475 87.7 108.3 -99.4 -5.1 23.5 43.3 22.8 448 217 B E < - 0 0 56 -3,-1.3 -33,-0.0 -4,-0.4 -3,-0.0 -0.361 61.7-138.4 -75.7 152.4 22.5 39.6 22.8 449 218 B E - 0 0 159 -2,-0.1 -33,-0.4 1,-0.1 -2,-0.1 -0.772 28.3-110.6-102.9 150.8 21.8 37.4 25.8 450 219 B P - 0 0 45 0, 0.0 -35,-0.3 0, 0.0 -1,-0.1 -0.351 35.0-106.4 -76.9 165.2 23.2 33.9 26.0 451 220 B I - 0 0 22 -37,-3.1 2,-1.3 1,-0.1 -37,-0.4 -0.475 35.1 -98.5 -87.8 163.2 20.8 30.9 25.7 452 221 B P - 0 0 84 0, 0.0 2,-2.5 0, 0.0 5,-0.3 -0.727 37.6-149.0 -81.0 100.9 19.9 28.8 28.8 453 222 B C + 0 0 11 -2,-1.3 2,-0.2 4,-0.1 3,-0.0 -0.444 50.8 126.5 -74.6 75.2 22.3 26.0 27.9 454 223 B T S > S- 0 0 61 -2,-2.5 4,-1.8 1,-0.1 5,-0.2 -0.756 76.8-104.9-126.2 170.8 20.1 23.3 29.5 455 224 B A H >>S+ 0 0 26 -2,-0.2 4,-3.5 1,-0.2 5,-0.7 0.881 119.9 57.0 -64.9 -36.9 18.6 19.9 28.5 456 225 B H H >5S+ 0 0 123 3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 105.3 49.8 -61.6 -42.5 15.2 21.6 28.2 457 226 B W H 45S+ 0 0 34 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.935 119.6 37.7 -61.1 -44.7 16.6 24.2 25.7 458 227 B H H <5S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.863 138.0 11.7 -76.1 -37.4 18.1 21.4 23.6 459 228 B F H <5S- 0 0 22 -4,-3.5 -3,-0.2 1,-0.2 2,-0.2 0.572 83.2-154.6-120.1 -13.0 15.5 18.7 23.9 460 229 B G << 0 0 27 -4,-2.0 -1,-0.2 -5,-0.7 -2,-0.1 -0.495 360.0 360.0 73.1-140.4 12.4 20.3 25.4 461 230 B Q 0 0 206 -2,-0.2 -1,-0.1 -5,-0.0 -5,-0.1 -0.309 360.0 360.0 70.2 360.0 10.1 17.8 27.3