==== 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 LYASE 02-JUL-03 1PX0 . COMPND 2 MOLECULE: HALOHYDRIN DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR R.M.DE JONG,J.J.W.TIESINGA,H.J.ROZEBOOM,K.H.KALK,L.TANG, . 1008 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 72 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.8 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 4 0 0 0 0 0 12 4 8 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 5 12 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 S 0 0 67 0, 0.0 25,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-168.6 4.1 3.9 13.8 2 3 A T E -a 26 0A 12 23,-0.2 71,-2.3 25,-0.1 72,-1.9 -0.950 360.0-175.6-114.0 124.9 5.6 0.6 15.1 3 4 A A E -ab 27 74A 0 23,-3.1 25,-2.8 -2,-0.5 2,-0.4 -0.882 16.7-148.6-122.4 153.5 8.4 0.7 17.7 4 5 A I E -ab 28 75A 0 70,-2.6 72,-2.9 -2,-0.3 2,-0.5 -0.980 10.9-174.0-119.2 128.7 10.6 -1.9 19.4 5 6 A V E -ab 29 76A 0 23,-2.2 25,-2.3 -2,-0.4 3,-0.5 -0.992 15.1-151.0-122.2 121.9 11.8 -1.4 23.0 6 7 A T S S+ 0 0 2 70,-1.8 25,-0.2 -2,-0.5 4,-0.1 -0.495 73.1 14.4 -91.2 163.0 14.3 -4.0 24.3 7 8 A N S > S+ 0 0 25 -2,-0.2 3,-2.5 1,-0.1 6,-0.4 0.875 78.0 179.5 40.5 46.4 14.9 -5.2 27.8 8 9 A V T 3 + 0 0 0 22,-2.6 6,-0.4 -3,-0.5 9,-0.2 0.728 68.4 57.7 -50.0 -32.2 11.5 -3.5 28.6 9 10 A K T 3 S+ 0 0 60 21,-0.2 -1,-0.3 4,-0.2 2,-0.3 0.571 107.5 56.2 -78.7 -6.1 11.4 -4.4 32.3 10 11 A H S X S- 0 0 41 -3,-2.5 3,-2.7 -4,-0.1 175,-0.1 -0.831 101.0 -14.6-129.7 164.4 14.7 -2.7 32.9 11 12 A F T 3 S- 0 0 10 -2,-0.3 4,-0.3 1,-0.3 3,-0.3 -0.234 129.3 -10.9 52.6-125.3 16.7 0.6 32.7 12 13 A G T 3> S+ 0 0 0 1,-0.2 4,-1.9 67,-0.1 -1,-0.3 0.275 110.9 105.7 -88.8 14.7 14.8 2.9 30.3 13 14 A G H <> S+ 0 0 0 -3,-2.7 4,-3.0 -6,-0.4 5,-0.2 0.958 77.8 37.5 -58.0 -64.0 12.5 0.2 29.2 14 15 A M H > S+ 0 0 27 -6,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.891 116.6 52.1 -60.5 -42.3 9.2 0.9 30.9 15 16 A G H > S+ 0 0 7 -4,-0.3 4,-1.9 2,-0.2 5,-0.3 0.934 115.0 42.8 -60.2 -45.5 9.4 4.7 30.5 16 17 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.958 117.1 45.2 -65.1 -52.1 10.1 4.4 26.8 17 18 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.917 114.5 47.6 -59.9 -47.2 7.5 1.7 26.1 18 19 A L H X S+ 0 0 57 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.918 115.3 42.5 -62.7 -47.6 4.7 3.3 28.1 19 20 A R H X S+ 0 0 81 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.861 112.4 54.2 -69.6 -35.5 5.1 6.9 26.7 20 21 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.3 -1,-0.2 0.883 111.4 46.7 -64.2 -36.7 5.6 5.6 23.2 21 22 A S H ><5S+ 0 0 20 -4,-1.8 3,-2.0 -5,-0.2 -2,-0.2 0.905 108.4 53.1 -72.1 -41.0 2.3 3.7 23.6 22 23 A E H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 103.2 60.5 -61.7 -31.2 0.5 6.7 25.1 23 24 A A T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.557 126.7-103.8 -72.9 -7.5 1.7 8.5 22.0 24 25 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.454 74.5 138.3 100.7 0.4 -0.3 6.0 19.9 25 26 A H < - 0 0 29 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.3 -0.433 59.4-118.5 -78.7 153.9 2.5 3.8 18.7 26 27 A T E -a 2 0A 54 -25,-2.6 -23,-3.1 -2,-0.1 2,-0.7 -0.849 36.6-157.6 -88.0 120.2 2.3 0.0 18.5 27 28 A V E -a 3 0A 0 -2,-0.7 24,-3.0 22,-0.5 2,-0.4 -0.858 10.9-164.1-113.3 104.7 5.1 -1.0 20.9 28 29 A A E -ac 4 51A 0 -25,-2.8 -23,-2.2 -2,-0.7 2,-0.4 -0.686 17.6-154.5 -81.6 132.4 6.6 -4.4 20.5 29 30 A C E -ac 5 52A 0 22,-2.2 24,-3.5 -2,-0.4 2,-0.3 -0.923 11.0-163.5-118.7 137.5 8.6 -5.3 23.6 30 31 A H + 0 0 6 -25,-2.3 -22,-2.6 -2,-0.4 2,-0.3 -0.846 16.5 159.5-112.6 148.8 11.6 -7.7 24.1 31 32 A D > - 0 0 3 22,-0.4 3,-1.3 -2,-0.3 4,-0.1 -0.899 46.7-123.0-166.6 140.4 12.9 -9.0 27.4 32 33 A E G > S+ 0 0 60 -2,-0.3 3,-1.1 1,-0.3 4,-0.1 0.816 113.2 58.5 -55.4 -31.5 15.0 -12.0 28.4 33 34 A S G > S+ 0 0 20 1,-0.3 3,-2.5 2,-0.1 6,-0.3 0.772 85.7 77.0 -71.1 -25.4 12.2 -13.2 30.7 34 35 A F G < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.474 71.3 84.4 -65.0 -0.3 9.7 -13.3 27.7 35 36 A K G < S+ 0 0 66 -3,-1.1 2,-0.5 -4,-0.1 -1,-0.3 0.750 83.0 71.2 -70.4 -24.2 11.5 -16.6 26.8 36 37 A Q S <> S- 0 0 106 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.841 79.5-147.1 -95.8 127.1 9.0 -18.0 29.4 37 38 A K H > S+ 0 0 69 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.901 100.3 58.5 -56.4 -40.7 5.4 -18.1 28.2 38 39 A D H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 109.2 41.3 -54.2 -51.9 4.5 -17.5 31.8 39 40 A E H > S+ 0 0 78 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.889 116.2 50.1 -65.7 -41.7 6.4 -14.3 32.1 40 41 A L H X S+ 0 0 32 -4,-2.5 4,-2.7 -7,-0.3 -2,-0.2 0.952 112.3 44.8 -64.6 -50.6 5.3 -13.1 28.7 41 42 A E H X S+ 0 0 135 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.868 112.2 53.8 -63.5 -33.4 1.6 -13.7 29.2 42 43 A A H X S+ 0 0 55 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.924 111.1 45.3 -65.6 -42.9 1.8 -12.1 32.6 43 44 A F H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.932 110.9 53.9 -64.8 -46.8 3.4 -9.0 31.2 44 45 A A H < S+ 0 0 33 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.873 108.3 48.9 -55.8 -42.2 0.8 -8.9 28.3 45 46 A E H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.4 48.0 -66.9 -41.4 -2.1 -9.0 30.7 46 47 A T H < S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 122.6 33.1 -67.4 -38.7 -0.7 -6.2 32.9 47 48 A Y >< + 0 0 72 -4,-2.5 3,-2.4 -5,-0.1 -1,-0.3 -0.666 61.4 168.0-121.0 76.7 0.0 -3.9 30.0 48 49 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.698 77.5 66.8 -61.3 -14.3 -2.5 -4.5 27.2 49 50 A Q T 3 S+ 0 0 87 -3,-0.1 -22,-0.5 -23,-0.0 2,-0.3 0.490 96.9 64.8 -85.2 -0.4 -1.2 -1.3 25.6 50 51 A L S < S- 0 0 4 -3,-2.4 -22,-0.2 -6,-0.2 -3,-0.1 -0.858 73.3-140.1-119.8 156.8 2.2 -3.1 24.9 51 52 A K E -c 28 0A 84 -24,-3.0 -22,-2.2 -2,-0.3 2,-0.1 -0.781 19.4-158.0-118.6 88.6 3.0 -6.0 22.6 52 53 A P E -c 29 0A 20 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 -0.391 8.0-155.3 -66.6 139.8 5.5 -8.3 24.3 53 54 A M - 0 0 20 -24,-3.5 -22,-0.4 2,-0.1 -19,-0.1 -0.822 17.0-148.8-113.6 153.5 7.5 -10.6 21.9 54 55 A S + 0 0 61 -2,-0.3 -1,-0.1 -24,-0.1 7,-0.1 0.722 63.3 113.2 -91.7 -23.7 9.2 -13.9 22.7 55 56 A E - 0 0 57 1,-0.1 -24,-0.3 5,-0.1 -2,-0.1 -0.175 40.1-178.8 -52.2 135.4 12.0 -13.5 20.2 56 57 A Q + 0 0 59 -26,-0.1 -1,-0.1 -21,-0.1 -24,-0.0 0.795 54.7 71.9-106.2 -40.5 15.4 -13.1 21.8 57 58 A E S > S- 0 0 117 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.508 80.8-119.6 -83.4 150.8 17.9 -12.6 18.9 58 59 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.935 111.0 42.6 -49.5 -63.3 18.2 -9.4 16.8 59 60 A A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 117.5 48.1 -53.8 -49.1 17.4 -10.9 13.4 60 61 A E H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 112.6 48.9 -59.4 -41.7 14.6 -13.0 14.8 61 62 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.924 110.7 48.4 -66.1 -46.4 13.1 -10.0 16.7 62 63 A I H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 115.2 45.0 -61.3 -44.0 13.1 -7.6 13.7 63 64 A E H X S+ 0 0 53 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.920 112.4 51.7 -67.0 -43.4 11.5 -10.2 11.4 64 65 A A H X S+ 0 0 18 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.902 114.5 42.5 -60.6 -43.1 8.9 -11.2 14.0 65 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 6,-0.3 0.879 113.8 51.8 -71.6 -38.7 7.9 -7.6 14.6 66 67 A T H X S+ 0 0 38 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.901 113.6 45.1 -64.3 -38.9 7.9 -6.8 10.9 67 68 A S H < S+ 0 0 103 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.880 119.6 39.3 -73.0 -39.9 5.7 -9.8 10.2 68 69 A A H < S+ 0 0 62 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.913 132.4 23.3 -76.4 -43.1 3.3 -9.2 13.0 69 70 A Y H < S- 0 0 76 -4,-2.9 2,-1.3 -5,-0.2 -2,-0.2 0.055 104.0-110.1-117.1 26.6 3.1 -5.4 12.7 70 71 A G S < S- 0 0 54 -4,-0.9 2,-0.3 -3,-0.1 -4,-0.2 -0.237 80.4 -15.2 83.3 -50.4 4.1 -4.5 9.1 71 72 A Q - 0 0 73 -2,-1.3 2,-0.6 -6,-0.3 -2,-0.0 -0.972 65.6 -99.9-171.4 175.7 7.5 -2.9 9.7 72 73 A V + 0 0 0 -2,-0.3 -69,-0.2 1,-0.1 3,-0.1 -0.956 36.2 164.4-117.1 112.8 9.8 -1.4 12.3 73 74 A D + 0 0 21 -71,-2.3 52,-2.1 -2,-0.6 2,-0.4 0.744 68.4 34.1 -96.9 -29.0 9.8 2.4 12.3 74 75 A V E -bd 3 125A 1 -72,-1.9 -70,-2.6 50,-0.2 2,-0.5 -0.986 61.4-166.6-135.4 124.6 11.5 3.1 15.7 75 76 A L E -bd 4 126A 0 50,-2.4 52,-2.9 -2,-0.4 2,-0.7 -0.945 2.3-173.5-110.4 120.7 14.2 1.0 17.4 76 77 A V E -bd 5 127A 0 -72,-2.9 -70,-1.8 -2,-0.5 2,-1.4 -0.904 8.7-162.3-113.8 99.3 14.9 1.8 21.0 77 78 A S E - d 0 128A 0 50,-2.9 52,-2.8 -2,-0.7 2,-1.4 -0.676 8.7-176.9 -86.4 91.2 17.9 -0.2 22.0 78 79 A N E - d 0 129A 0 -2,-1.4 2,-0.3 50,-0.2 -68,-0.1 -0.690 15.7-170.3 -89.6 83.6 17.7 -0.2 25.8 79 80 A D - 0 0 3 -2,-1.4 2,-0.3 50,-0.9 -67,-0.1 -0.584 7.9-179.7 -86.3 138.8 20.9 -2.1 26.5 80 81 A I + 0 0 23 -2,-0.3 2,-0.3 22,-0.2 -73,-0.0 -0.905 11.9 171.9-134.5 161.4 21.9 -3.4 30.0 81 82 A F - 0 0 45 -2,-0.3 18,-0.1 22,-0.1 -2,-0.0 -0.941 29.4-131.1-164.3 146.6 24.7 -5.2 31.7 82 83 A A - 0 0 68 -2,-0.3 2,-0.1 102,-0.1 102,-0.0 -0.793 35.3-178.5-110.3 90.0 25.4 -6.0 35.4 83 84 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.430 20.4-137.5 -85.9 159.1 29.1 -5.0 36.0 84 85 A E - 0 0 119 -2,-0.1 2,-0.5 11,-0.0 60,-0.2 -0.755 25.1-116.4-106.1 159.2 31.1 -5.4 39.2 85 86 A F + 0 0 46 -2,-0.3 56,-0.2 56,-0.1 55,-0.1 -0.864 51.7 150.5 -95.7 130.2 33.4 -2.5 40.3 86 87 A Q - 0 0 49 54,-1.9 56,-0.4 -2,-0.5 5,-0.1 -0.987 51.0 -97.9-160.8 151.6 37.1 -3.7 40.2 87 88 A P >> - 0 0 27 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.377 51.0-105.6 -63.8 151.3 40.7 -2.5 39.8 88 89 A I T 34 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 277,-0.1 0.827 119.3 52.9 -50.2 -38.8 41.8 -3.2 36.2 89 90 A D T 34 S+ 0 0 32 1,-0.2 -1,-0.3 275,-0.1 280,-0.0 0.629 104.4 56.7 -76.5 -11.3 44.0 -6.2 37.3 90 91 A K T <4 S+ 0 0 143 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.685 87.9 90.1 -92.1 -19.5 41.2 -7.9 39.2 91 92 A Y S < S- 0 0 8 -4,-1.0 2,-0.4 -3,-0.5 3,-0.0 -0.267 77.6-126.5 -68.3 164.2 38.8 -8.1 36.2 92 93 A A >> - 0 0 47 1,-0.1 3,-1.8 0, 0.0 4,-0.9 -0.860 20.9-122.1-105.9 145.4 38.9 -11.2 34.0 93 94 A V H >> S+ 0 0 30 -2,-0.4 4,-2.0 1,-0.3 3,-0.9 0.880 116.2 63.9 -57.4 -31.3 39.3 -10.3 30.3 94 95 A E H 3> S+ 0 0 63 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.792 92.5 63.2 -60.7 -27.6 36.1 -12.2 29.9 95 96 A D H <> S+ 0 0 60 -3,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.859 105.1 44.0 -66.0 -35.2 34.4 -9.5 32.1 96 97 A Y H S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 5,-2.4 0.884 110.9 53.9 -64.1 -39.5 31.1 -5.1 25.2 101 102 A E H <>S+ 0 0 75 -4,-2.4 5,-1.8 -5,-0.2 -1,-0.2 0.935 116.3 37.6 -61.1 -46.4 28.9 -7.9 23.9 102 103 A A H <5S+ 0 0 27 -4,-2.3 -22,-0.2 3,-0.2 -2,-0.2 0.852 128.0 31.7 -75.2 -36.5 25.9 -6.6 25.8 103 104 A L H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.640 134.4 17.7-100.0 -18.2 26.4 -2.8 25.4 104 105 A Q T X5S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -3,-0.2 0.721 123.7 45.2-117.8 -53.3 28.1 -2.6 22.0 105 106 A I H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.925 115.6 52.3 -59.2 -37.2 22.9 -2.5 19.7 108 109 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.926 109.0 49.7 -61.3 -44.0 25.1 -2.9 16.6 109 110 A A H X S+ 0 0 10 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.876 109.4 51.5 -64.0 -37.4 23.4 -6.2 15.7 110 111 A L H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.921 113.8 42.5 -67.2 -42.6 19.9 -4.7 16.1 111 112 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.905 109.5 59.2 -69.0 -39.3 20.7 -1.8 13.7 112 113 A N H < S+ 0 0 33 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.829 110.5 44.0 -57.3 -30.2 22.5 -4.2 11.4 113 114 A A H < S+ 0 0 30 -4,-1.3 -1,-0.2 -3,-0.2 4,-0.2 0.773 121.8 33.1 -88.1 -27.5 19.2 -6.1 11.1 114 115 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.2 3,-0.3 0.621 95.0 85.2-104.6 -15.5 16.7 -3.3 10.7 115 116 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.906 84.3 57.1 -54.0 -49.3 18.7 -0.7 8.8 116 117 A S H > S+ 0 0 46 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.888 108.1 46.8 -54.8 -42.0 18.1 -2.1 5.3 117 118 A Q H > S+ 0 0 35 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.877 113.8 47.4 -70.3 -34.4 14.3 -1.9 5.7 118 119 A M H X>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-1.4 0.905 111.4 50.8 -70.6 -41.1 14.4 1.7 7.0 119 120 A K H <5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 105.8 57.1 -62.4 -39.5 16.8 2.8 4.3 120 121 A K H <5S+ 0 0 175 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.914 116.3 34.0 -58.0 -45.4 14.5 1.3 1.7 121 122 A R H <5S- 0 0 69 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.621 105.6-131.7 -83.5 -14.3 11.6 3.5 2.9 122 123 A K T <5S+ 0 0 125 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.955 73.7 96.0 58.4 51.4 13.9 6.3 3.7 123 124 A S < + 0 0 42 -5,-2.1 2,-0.2 -6,-0.1 -2,-0.2 -0.922 37.9 95.7-167.4 143.5 12.3 6.6 7.1 124 125 A G - 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0 0 19 -24,-3.2 -22,-0.4 2,-0.1 -19,-0.1 -0.849 15.6-148.4-112.0 149.7 59.9 -10.7 21.3 307 55 B S + 0 0 62 -2,-0.3 -1,-0.1 -24,-0.1 7,-0.1 0.782 65.1 110.0 -86.3 -27.8 58.3 -13.8 20.0 308 56 B E + 0 0 47 1,-0.1 -24,-0.3 5,-0.1 -2,-0.1 -0.143 40.7 179.9 -52.2 137.7 55.4 -13.8 22.4 309 57 B Q + 0 0 19 -26,-0.1 -1,-0.1 -21,-0.1 -24,-0.0 0.762 53.9 75.6-109.5 -38.9 52.0 -12.9 21.0 310 58 B E S > S- 0 0 105 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.471 81.0-118.3 -81.6 151.8 49.5 -13.0 23.9 311 59 B P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.919 109.3 42.1 -49.4 -59.5 49.2 -10.3 26.6 312 60 B A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 117.6 45.4 -60.5 -46.6 50.1 -12.3 29.6 313 61 B E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 113.3 51.4 -67.5 -34.8 53.0 -14.2 28.1 314 62 B L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.956 112.1 44.5 -65.7 -51.2 54.4 -11.0 26.5 315 63 B I H X S+ 0 0 6 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 116.2 49.1 -59.6 -40.7 54.3 -9.1 29.8 316 64 B E H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.7 48.9 -66.2 -44.3 55.8 -12.1 31.6 317 65 B A H X S+ 0 0 18 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.887 113.0 46.3 -64.1 -41.8 58.6 -12.6 29.0 318 66 B V H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.930 112.5 51.0 -67.4 -42.9 59.7 -9.0 29.0 319 67 B T H X S+ 0 0 40 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.898 113.6 45.1 -60.4 -41.7 59.6 -8.9 32.8 320 68 B S H < S+ 0 0 103 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.914 119.1 41.8 -69.7 -41.7 61.7 -12.0 33.0 321 69 B A H < S+ 0 0 59 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.937 132.3 18.5 -71.6 -47.9 64.2 -10.8 30.3 322 70 B Y H < S- 0 0 83 -4,-3.4 2,-0.3 -5,-0.2 -3,-0.2 0.375 104.4-109.4-110.4 5.0 64.5 -7.2 31.4 323 71 B G S < S- 0 0 47 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.2 -0.251 81.3 -3.9 103.0 -48.1 63.3 -7.1 35.0 324 72 B Q - 0 0 76 -2,-0.3 2,-0.7 -6,-0.3 -69,-0.0 -0.973 66.2-106.7-169.2 165.8 60.0 -5.3 34.8 325 73 B V + 0 0 1 -2,-0.3 -69,-0.2 1,-0.2 3,-0.1 -0.915 36.3 165.7-108.3 107.5 57.7 -3.4 32.4 326 74 B D + 0 0 24 -71,-2.3 52,-2.2 -2,-0.7 2,-0.4 0.832 67.6 33.1 -88.9 -37.2 57.9 0.4 33.1 327 75 B V E -jl 256 378D 0 -72,-2.4 -70,-2.1 50,-0.2 2,-0.5 -0.977 62.2-166.4-127.3 133.6 56.2 1.6 30.0 328 76 B L E -jl 257 379D 1 50,-2.4 52,-2.9 -2,-0.4 2,-0.7 -0.972 2.9-175.2-118.3 118.8 53.4 0.1 28.0 329 77 B V E -jl 258 380D 0 -72,-2.8 -70,-1.8 -2,-0.5 2,-1.3 -0.895 8.8-164.2-113.3 97.1 52.7 1.4 24.5 330 78 B S E - l 0 381D 0 50,-2.3 52,-2.7 -2,-0.7 2,-1.3 -0.713 7.2-175.3 -85.0 95.1 49.7 -0.4 23.2 331 79 B N E - l 0 382D 0 -2,-1.3 2,-0.2 50,-0.2 -68,-0.1 -0.729 15.9-167.3 -93.5 84.7 49.9 0.4 19.6 332 80 B D + 0 0 4 -2,-1.3 2,-0.3 50,-0.8 -67,-0.1 -0.530 10.2 179.2 -84.7 140.4 46.6 -1.2 18.4 333 81 B I + 0 0 25 22,-0.2 2,-0.3 -2,-0.2 -73,-0.0 -0.916 11.3 176.5-135.9 162.1 45.6 -1.9 14.9 334 82 B F - 0 0 45 -2,-0.3 18,-0.1 22,-0.1 17,-0.0 -0.959 29.2-129.8-159.6 152.0 42.8 -3.4 12.8 335 83 B A - 0 0 67 -2,-0.3 2,-0.1 102,-0.1 102,-0.0 -0.753 38.1-178.1-110.7 83.7 42.1 -3.7 9.1 336 84 B P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.360 19.7-139.1 -82.1 160.3 38.5 -2.5 8.7 337 85 B E - 0 0 119 -2,-0.1 2,-0.6 11,-0.1 60,-0.2 -0.881 23.2-117.7-113.0 147.5 36.4 -2.3 5.6 338 86 B F + 0 0 59 -2,-0.4 56,-0.2 56,-0.1 55,-0.1 -0.782 52.8 155.5 -84.9 122.2 34.2 0.7 4.8 339 87 B Q - 0 0 51 54,-1.6 56,-0.4 -2,-0.6 2,-0.1 -0.996 49.3-105.0-150.1 149.3 30.7 -0.7 4.8 340 88 B P >> - 0 0 13 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.446 48.6-105.4 -67.1 150.1 27.1 0.5 5.3 341 89 B I G >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -229,-0.0 0.841 120.3 50.6 -48.9 -40.3 25.9 -0.8 8.7 342 90 B D G 34 S+ 0 0 40 1,-0.2 -1,-0.3 -231,-0.0 -226,-0.0 0.633 104.5 57.4 -76.9 -11.3 23.7 -3.4 7.1 343 91 B K G <4 S+ 0 0 132 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.578 89.4 90.6 -94.1 -10.2 26.4 -4.8 4.9 344 92 B Y S << S- 0 0 10 -4,-0.8 2,-0.3 -3,-0.7 3,-0.0 -0.414 76.5-128.3 -77.5 161.0 28.7 -5.6 7.8 345 93 B A >> - 0 0 44 1,-0.1 3,-1.5 -2,-0.1 4,-0.8 -0.825 21.9-120.8-104.1 148.1 28.6 -9.0 9.6 346 94 B V H >> S+ 0 0 31 -2,-0.3 4,-1.9 1,-0.3 3,-1.1 0.876 116.2 62.7 -59.0 -31.7 28.2 -8.8 13.3 347 95 B E H 3> S+ 0 0 62 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.798 92.1 65.5 -61.1 -28.5 31.5 -10.7 13.5 348 96 B D H <> S+ 0 0 62 -3,-1.5 4,-1.2 1,-0.2 -1,-0.3 0.835 105.3 42.6 -63.4 -33.4 33.1 -7.7 11.8 349 97 B Y H S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-2.5 0.895 110.5 53.8 -68.0 -38.6 36.4 -4.6 19.3 354 102 B E H <>S+ 0 0 74 -4,-2.6 5,-1.5 -5,-0.2 -1,-0.2 0.899 116.7 38.8 -61.8 -39.7 38.7 -7.6 20.0 355 103 B A H <5S+ 0 0 30 -4,-1.7 -22,-0.2 -5,-0.2 -2,-0.2 0.838 127.3 30.8 -80.9 -35.5 41.6 -5.8 18.3 356 104 B L H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.653 135.2 17.1-101.2 -18.3 41.0 -2.2 19.4 357 105 B Q T X5S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -3,-0.2 0.725 122.4 47.5-118.5 -51.7 39.4 -2.6 22.9 358 106 B I H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.946 115.0 52.4 -57.5 -42.9 44.7 -3.0 25.3 361 109 B F H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.908 110.1 49.0 -56.1 -42.3 42.5 -3.9 28.2 362 110 B A H X S+ 0 0 9 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.860 109.7 51.1 -66.4 -37.8 44.2 -7.3 28.3 363 111 B L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.918 114.4 42.7 -66.8 -42.4 47.7 -5.8 28.3 364 112 B V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.926 110.2 57.5 -68.2 -42.7 46.8 -3.4 31.1 365 113 B N H < S+ 0 0 36 -4,-2.8 4,-0.4 -5,-0.3 -1,-0.2 0.844 111.5 44.2 -54.2 -35.1 45.1 -6.2 33.0 366 114 B A H < S+ 0 0 35 -4,-1.5 -1,-0.2 -5,-0.1 4,-0.2 0.779 122.3 32.9 -84.1 -28.6 48.3 -8.2 32.8 367 115 B V H X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.3 3,-0.5 0.652 93.9 86.9-102.8 -19.6 50.8 -5.5 33.7 368 116 B A H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.874 83.5 57.3 -49.4 -48.9 48.8 -3.3 36.2 369 117 B S H > S+ 0 0 70 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.891 107.2 46.3 -55.6 -44.3 49.7 -5.3 39.3 370 118 B Q H > S+ 0 0 47 -3,-0.5 4,-1.3 -4,-0.2 -1,-0.2 0.877 114.7 47.4 -69.1 -34.1 53.4 -5.0 39.0 371 119 B M H X>S+ 0 0 1 -4,-1.6 5,-1.9 1,-0.2 4,-0.5 0.907 112.7 49.7 -70.6 -41.2 53.2 -1.3 38.3 372 120 B K H ><5S+ 0 0 25 -4,-3.0 3,-0.7 -5,-0.2 -2,-0.2 0.897 104.7 58.6 -64.6 -38.8 50.9 -0.8 41.2 373 121 B K H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.911 117.2 31.5 -57.3 -45.1 53.1 -2.7 43.6 374 122 B R H 3<5S- 0 0 72 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.370 106.7-127.1 -94.9 3.9 56.1 -0.3 43.0 375 123 B K T <<5S+ 0 0 124 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.912 72.9 99.9 50.0 50.6 53.8 2.7 42.4 376 124 B S < + 0 0 41 -5,-1.9 2,-0.2 -6,-0.1 -2,-0.2 -0.954 36.2 96.6-162.1 143.5 55.4 3.6 39.1 377 125 B G - 0 0 6 42,-0.6 2,-0.4 -2,-0.3 -50,-0.2 -0.759 45.9-122.7 152.7 161.3 54.7 3.1 35.4 378 126 B H E -l 327 0D 22 -52,-2.2 -50,-2.4 -2,-0.2 2,-0.5 -1.000 15.1-163.7-134.8 132.9 53.3 4.8 32.3 379 127 B I E +lm 328 422D 0 42,-2.3 44,-2.9 -2,-0.4 2,-0.4 -0.975 10.2 179.3-119.6 125.5 50.5 3.4 30.1 380 128 B I E -lm 329 423D 0 -52,-2.9 -50,-2.3 -2,-0.5 2,-0.4 -0.984 10.6-162.2-129.7 122.2 49.9 4.8 26.6 381 129 B F E -lm 330 424D 0 42,-3.1 44,-3.3 -2,-0.4 2,-0.8 -0.872 11.5-148.5-101.2 133.2 47.2 3.7 24.1 382 130 B I E +lm 331 425D 0 -52,-2.7 -50,-0.8 -2,-0.4 44,-0.2 -0.904 41.5 149.0 -98.2 109.1 47.7 4.6 20.4 383 131 B T - 0 0 1 42,-2.6 2,-0.3 -2,-0.8 43,-0.2 0.471 40.9 -85.0-108.6-113.2 44.0 5.0 19.4 384 132 B S - 0 0 3 17,-0.2 44,-0.2 42,-0.2 42,-0.1 -0.981 2.9-139.7-164.6 156.3 42.5 7.2 16.8 385 133 B A S >> S+ 0 0 2 42,-1.8 3,-1.9 -2,-0.3 4,-0.7 0.508 82.3 97.3 -96.1 -8.8 41.1 10.7 16.2 386 134 B T G >4 S+ 0 0 3 41,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.823 72.9 63.1 -50.6 -37.1 38.2 9.3 14.1 387 135 B P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.843 99.9 56.0 -58.8 -29.4 35.8 9.4 17.1 388 136 B F G <4 S+ 0 0 84 -3,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.705 129.1 12.1 -73.7 -22.8 36.3 13.2 17.1 389 137 B G S << S- 0 0 4 -3,-1.2 -1,-0.2 -4,-0.7 -4,-0.1 -0.402 84.6-159.0-157.6 73.9 35.2 13.4 13.4 390 138 B P - 0 0 5 0, 0.0 614,-0.6 0, 0.0 2,-0.2 -0.149 6.1-144.3 -57.7 140.9 33.6 10.2 12.1 391 139 B W > - 0 0 11 612,-0.1 3,-0.6 3,-0.1 -230,-0.2 -0.613 35.0 -93.9 -96.5 164.9 33.4 9.4 8.4 392 140 B K T 3 S+ 0 0 34 612,-0.3 -234,-0.1 -2,-0.2 -1,-0.1 -0.512 104.1 22.0 -77.5 152.0 30.3 7.6 7.0 393 141 B E T 3 S+ 0 0 46 -236,-0.2 -54,-1.6 -2,-0.2 -1,-0.2 0.756 94.7 92.2 65.4 31.8 30.5 3.8 6.8 394 142 B L <> + 0 0 6 -3,-0.6 4,-2.3 -56,-0.2 5,-0.3 -0.150 42.2 135.3-140.2 36.2 33.3 3.1 9.3 395 143 B S H > + 0 0 2 -56,-0.4 4,-1.7 1,-0.2 5,-0.3 0.806 67.2 52.6 -58.6 -36.5 31.0 2.6 12.3 396 144 B T H > S+ 0 0 1 -59,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.976 115.4 37.4 -65.8 -56.0 32.8 -0.6 13.5 397 145 B Y H > S+ 0 0 10 -60,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 117.9 49.5 -62.4 -50.2 36.3 0.8 13.7 398 146 B T H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.919 112.8 44.9 -60.1 -47.4 35.4 4.3 14.8 399 147 B S H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.922 112.6 52.1 -65.3 -41.3 33.2 3.2 17.7 400 148 B A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.937 107.9 51.6 -58.8 -47.5 35.7 0.6 18.9 401 149 B R H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.853 106.4 55.0 -58.2 -35.2 38.5 3.3 18.9 402 150 B A H X S+ 0 0 4 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.911 103.1 55.3 -64.6 -41.1 36.2 5.5 21.0 403 151 B G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.883 108.1 50.0 -58.1 -37.1 35.9 2.6 23.5 404 152 B A H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.893 107.6 51.6 -68.5 -43.6 39.7 2.6 23.8 405 153 B C H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.960 113.5 44.7 -58.6 -50.3 40.0 6.3 24.3 406 154 B T H X S+ 0 0 25 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.854 108.1 58.8 -62.4 -35.8 37.5 6.2 27.2 407 155 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.933 107.5 46.7 -59.6 -45.7 39.2 3.1 28.6 408 156 B A H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 113.9 47.4 -61.7 -48.6 42.4 5.0 28.9 409 157 B N H X S+ 0 0 28 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.924 113.9 47.1 -59.6 -45.7 40.7 8.0 30.5 410 158 B A H >X S+ 0 0 2 -4,-3.3 3,-1.0 1,-0.2 4,-0.8 0.927 109.9 53.9 -62.8 -44.2 38.7 5.8 32.9 411 159 B L H >X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 3,-0.5 0.840 98.7 63.1 -60.1 -32.2 41.9 3.8 33.8 412 160 B S H 3X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.830 96.4 60.8 -62.0 -30.9 43.7 7.1 34.7 413 161 B K H << S+ 0 0 8 -3,-1.0 4,-0.3 -4,-0.9 -1,-0.2 0.853 114.0 31.4 -64.9 -39.7 41.2 7.6 37.5 414 162 B E H X< S+ 0 0 6 -4,-0.8 3,-0.5 -3,-0.5 4,-0.2 0.823 119.4 50.8 -89.4 -34.9 42.1 4.4 39.4 415 163 B L H ><>S+ 0 0 2 -4,-2.6 5,-1.9 1,-0.2 3,-1.6 0.704 91.4 77.2 -77.9 -18.5 45.8 4.2 38.5 416 164 B G G ><5S+ 0 0 2 -4,-1.4 3,-2.3 1,-0.3 -1,-0.2 0.874 85.6 62.4 -57.4 -38.0 46.6 7.7 39.5 417 165 B E G < 5S+ 0 0 72 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.743 105.5 48.4 -59.8 -20.9 46.5 6.7 43.2 418 166 B Y G < 5S- 0 0 65 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.167 121.4-107.8-105.1 16.7 49.4 4.4 42.3 419 167 B N T < 5S+ 0 0 72 -3,-2.3 -42,-0.6 293,-0.2 -3,-0.2 0.810 75.6 138.2 62.3 33.0 51.4 7.2 40.5 420 168 B I < - 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0 0 69 -2,-0.3 2,-0.1 102,-0.1 102,-0.0 -0.811 36.7-179.1-108.6 90.5 26.8 39.8 12.4 842 84 D P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.400 21.0-135.4 -86.7 164.9 30.4 38.8 12.2 843 85 D E - 0 0 125 -2,-0.1 2,-0.5 11,-0.0 60,-0.2 -0.821 23.9-116.6-112.0 154.7 32.8 39.0 9.2 844 86 D F + 0 0 45 -2,-0.3 56,-0.2 56,-0.1 55,-0.1 -0.837 51.4 158.6 -90.5 128.8 35.2 36.2 8.3 845 87 D Q - 0 0 50 54,-1.8 56,-0.4 -2,-0.5 5,-0.1 -0.992 47.9-106.4-154.1 145.2 38.7 37.6 8.8 846 88 D P >> - 0 0 26 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.454 50.4-104.4 -65.6 150.4 42.2 36.2 9.4 847 89 D I G >4 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -229,-0.1 0.815 120.2 52.0 -47.7 -39.3 43.1 36.9 13.1 848 90 D D G 34 S+ 0 0 31 1,-0.2 -1,-0.3 -231,-0.1 -226,-0.1 0.604 104.6 57.2 -76.9 -10.5 45.4 39.8 12.2 849 91 D K G <4 S+ 0 0 141 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.631 87.8 90.2 -93.8 -16.4 42.8 41.6 10.1 850 92 D Y S << S- 0 0 8 -4,-0.9 2,-0.3 -3,-0.5 3,-0.0 -0.353 77.3-127.5 -72.5 161.3 40.1 41.8 12.8 851 93 D A >> - 0 0 47 1,-0.1 3,-1.4 -2,-0.0 4,-0.8 -0.805 21.2-121.1-102.8 150.1 40.1 44.8 15.1 852 94 D V H >> S+ 0 0 32 -2,-0.3 4,-2.2 1,-0.3 3,-0.8 0.868 116.3 63.0 -60.9 -30.3 40.1 44.0 18.8 853 95 D E H 3> S+ 0 0 64 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.772 93.1 63.1 -63.6 -25.3 36.8 45.9 18.9 854 96 D D H <> S+ 0 0 62 -3,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.845 105.6 43.9 -68.6 -33.6 35.4 43.2 16.6 855 97 D Y H S+ 0 0 4 -4,-3.0 5,-2.3 1,-0.2 4,-2.1 0.873 111.1 52.9 -64.0 -37.3 31.5 38.9 23.0 860 102 D E H <>S+ 0 0 68 -4,-2.3 5,-1.4 -5,-0.3 -1,-0.2 0.909 116.0 38.5 -64.9 -42.8 29.1 41.7 24.1 861 103 D A H <5S+ 0 0 29 -4,-2.1 -22,-0.2 3,-0.2 -2,-0.2 0.817 126.9 33.0 -79.1 -31.8 26.3 40.4 21.9 862 104 D L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.598 134.0 15.5-104.3 -13.6 26.8 36.6 22.4 863 105 D Q T X5S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -3,-0.2 0.656 123.2 47.7-123.2 -53.1 28.1 36.3 26.0 864 106 D I H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.914 115.8 52.5 -57.7 -36.8 22.7 36.3 27.7 867 109 D F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 109.1 49.2 -62.2 -43.9 24.6 36.6 31.0 868 110 D A H X S+ 0 0 9 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.831 108.8 52.5 -66.0 -34.3 22.9 40.0 31.7 869 111 D L H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.922 113.4 42.6 -69.1 -42.4 19.4 38.6 31.0 870 112 D V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.900 110.5 57.6 -69.3 -37.9 19.9 35.7 33.4 871 113 D N H < S+ 0 0 31 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.833 111.0 44.2 -59.2 -32.2 21.6 38.0 35.9 872 114 D A H < S+ 0 0 31 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.756 122.6 32.8 -86.4 -25.8 18.3 40.1 35.9 873 115 D V H X S+ 0 0 1 -4,-1.5 4,-1.4 -3,-0.2 3,-0.3 0.572 93.4 86.6-108.3 -11.2 15.8 37.3 36.1 874 116 D A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.890 82.9 59.3 -58.7 -42.1 17.5 34.7 38.2 875 117 D S H > S+ 0 0 45 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.905 106.1 46.0 -58.3 -43.3 16.4 36.1 41.6 876 118 D Q H > S+ 0 0 36 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.868 114.3 48.9 -69.1 -32.1 12.7 35.8 40.9 877 119 D M H X>S+ 0 0 2 -4,-1.4 5,-1.9 1,-0.2 4,-0.7 0.919 111.5 49.3 -70.3 -42.5 13.0 32.3 39.5 878 120 D K H <5S+ 0 0 21 -4,-2.8 3,-0.3 3,-0.2 -2,-0.2 0.863 105.9 57.3 -64.6 -37.5 15.1 31.2 42.5 879 121 D K H <5S+ 0 0 173 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.934 117.5 32.3 -60.6 -46.6 12.6 32.6 45.0 880 122 D R H <5S- 0 0 66 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.463 106.1-129.9 -89.5 0.3 9.8 30.5 43.6 881 123 D K T <5S+ 0 0 127 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.955 72.4 97.1 48.8 58.5 12.1 27.7 42.7 882 124 D S < + 0 0 41 -5,-1.9 2,-0.2 -6,-0.1 -2,-0.2 -0.912 36.3 94.8-170.9 144.5 10.8 27.4 39.2 883 125 D G - 0 0 5 42,-0.5 2,-0.4 -2,-0.3 -50,-0.2 -0.729 48.1-120.2 147.7 163.1 11.7 28.5 35.7 884 126 D H E -b 833 0J 24 -52,-2.2 -50,-2.4 -2,-0.2 2,-0.5 -0.998 15.4-159.7-135.2 139.1 13.6 27.5 32.6 885 127 D I E +bc 834 928J 0 42,-2.2 44,-2.7 -2,-0.4 2,-0.4 -0.980 10.9 179.5-123.1 125.6 16.5 29.1 30.9 886 128 D I E -bc 835 929J 0 -52,-2.9 -50,-2.5 -2,-0.5 2,-0.4 -0.973 9.6-164.9-129.9 119.2 17.4 28.4 27.2 887 129 D F E -bc 836 930J 0 42,-2.6 44,-3.1 -2,-0.4 2,-0.8 -0.840 11.7-150.1 -98.5 136.1 20.3 30.0 25.3 888 130 D I E +bc 837 931J 0 -52,-2.7 -50,-0.9 -2,-0.4 44,-0.2 -0.944 40.6 147.3-104.0 111.1 20.2 29.7 21.5 889 131 D T - 0 0 1 42,-2.4 2,-0.3 -2,-0.8 43,-0.2 0.494 42.7 -81.4-110.3-108.0 23.9 29.7 20.8 890 132 D S - 0 0 2 17,-0.2 44,-0.2 42,-0.2 42,-0.1 -0.957 3.1-139.8-169.0 149.7 25.7 27.8 18.0 891 133 D A S >> S+ 0 0 2 42,-2.5 3,-1.5 -2,-0.3 4,-0.8 0.461 82.2 99.0 -91.2 -1.5 27.2 24.5 16.9 892 134 D T G >4 S+ 0 0 4 41,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.845 71.3 62.3 -55.2 -37.5 30.2 26.2 15.4 893 135 D P G 34 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.824 100.3 56.7 -58.8 -27.9 32.4 25.6 18.4 894 136 D F G <4 S+ 0 0 79 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.782 126.5 16.2 -71.8 -30.6 32.0 21.8 17.7 895 137 D G S << S- 0 0 4 -3,-0.9 -1,-0.3 -4,-0.8 -4,-0.1 -0.553 85.5-157.8-145.0 75.7 33.3 22.2 14.1 896 138 D P - 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