==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-12 4FAS . COMPND 2 MOLECULE: HYDROXYLAMINE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR P.E.CEDERVALL,C.M.WILMOT . 1653 6 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1091 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 2.7 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 . 9 0.5 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 . 58 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 260 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 644 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.0 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 17 15 5 5 7 8 4 7 3 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 6 0 0 3 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 . 9 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 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 D 0 0 120 0, 0.0 2,-0.6 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 152.0 57.5 70.1 8.0 2 2 A I > - 0 0 13 1,-0.1 3,-2.2 3,-0.1 15,-0.0 -0.933 360.0-160.7-104.3 103.9 54.9 67.4 9.2 3 3 A S T 3 S+ 0 0 96 -2,-0.6 -1,-0.1 1,-0.3 175,-0.0 0.764 84.9 52.1 -64.3 -28.0 51.6 69.0 8.1 4 4 A T T 3 S+ 0 0 23 2,-0.1 -1,-0.3 317,-0.0 316,-0.0 0.485 87.1 98.7 -87.7 0.5 49.4 66.9 10.3 5 5 A V S < S- 0 0 4 -3,-2.2 -3,-0.1 1,-0.1 177,-0.1 -0.762 78.4-113.0 -91.8 128.1 51.4 67.6 13.6 6 6 A P >> - 0 0 14 0, 0.0 3,-2.4 0, 0.0 4,-1.1 -0.244 16.9-122.9 -55.7 137.9 49.9 70.4 15.9 7 7 A D H 3> S+ 0 0 94 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.810 109.9 65.0 -42.3 -38.4 51.8 73.7 16.4 8 8 A E H 3> S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.666 96.5 55.3 -70.3 -17.1 51.9 73.0 20.2 9 9 A T H <> S+ 0 0 3 -3,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.922 108.8 45.1 -81.0 -49.5 54.0 69.9 19.6 10 10 A Y H <>S+ 0 0 7 -4,-1.1 5,-2.5 2,-0.2 4,-0.4 0.920 115.5 51.4 -50.0 -43.1 56.7 71.9 17.8 11 11 A D H ><5S+ 0 0 118 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.933 108.7 49.3 -59.8 -47.4 56.3 74.5 20.6 12 12 A A H 3<5S+ 0 0 50 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 115.3 44.1 -62.7 -31.5 56.7 71.9 23.3 13 13 A L T 3<5S- 0 0 25 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.426 109.0-123.8 -95.8 1.4 59.8 70.6 21.7 14 14 A K T < 5 + 0 0 198 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.955 64.2 139.9 52.6 55.7 61.2 74.1 21.0 15 15 A L < - 0 0 38 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.2 -0.932 56.3-126.3-126.0 157.0 61.5 73.3 17.3 16 16 A D >> - 0 0 95 -2,-0.3 4,-3.3 1,-0.1 3,-1.1 -0.901 13.6-157.1-106.0 114.0 60.7 75.5 14.3 17 17 A R T 34 S+ 0 0 44 -2,-0.7 -1,-0.1 1,-0.3 -15,-0.0 0.772 95.1 53.5 -66.1 -26.7 58.3 73.6 12.1 18 18 A G T 34 S+ 0 0 49 1,-0.1 -1,-0.3 -17,-0.1 -2,-0.0 0.758 124.1 27.6 -71.7 -24.1 59.4 75.6 9.1 19 19 A K T <4 S+ 0 0 153 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.881 87.8 103.9-108.5 -50.3 63.0 74.6 9.9 20 20 A A < - 0 0 13 -4,-3.3 -5,-0.0 1,-0.1 3,-0.0 -0.013 58.2-139.7 -38.3 133.4 63.4 71.3 11.7 21 21 A T > - 0 0 55 1,-0.1 4,-2.6 109,-0.1 5,-0.3 -0.469 28.9-103.8 -87.6 166.7 64.5 68.3 9.6 22 22 A P H > S+ 0 0 32 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.975 123.9 54.0 -54.3 -47.9 63.0 64.8 10.0 23 23 A K H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.891 112.1 42.9 -50.9 -49.1 66.2 63.8 11.9 24 24 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 114.1 49.4 -65.1 -44.9 65.8 66.7 14.4 25 25 A T H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.965 113.6 48.0 -58.9 -52.1 62.1 66.3 14.9 26 26 A Y H X S+ 0 0 34 -4,-3.2 4,-3.3 -5,-0.3 5,-0.3 0.964 112.5 48.5 -50.5 -55.8 62.6 62.5 15.5 27 27 A E H X S+ 0 0 95 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.846 112.1 47.6 -60.2 -41.3 65.4 63.2 17.9 28 28 A A H X S+ 0 0 22 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.905 113.3 48.9 -64.3 -44.0 63.4 65.8 19.9 29 29 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.966 113.2 47.2 -59.8 -49.5 60.3 63.6 20.1 30 30 A V H X S+ 0 0 22 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.834 105.9 58.1 -64.0 -33.3 62.5 60.6 21.3 31 31 A K H < S+ 0 0 176 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.923 114.8 37.6 -63.1 -44.5 64.3 62.7 24.0 32 32 A R H >< S+ 0 0 19 -4,-1.7 3,-1.5 -3,-0.2 8,-0.3 0.930 115.2 56.6 -66.8 -45.0 61.0 63.5 25.5 33 33 A Y H 3< S+ 0 0 6 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.824 111.9 40.3 -61.8 -34.8 59.7 60.0 24.8 34 34 A K T 3< S+ 0 0 90 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.401 90.9 111.2 -93.5 2.9 62.5 58.3 26.7 35 35 A D X > - 0 0 56 -3,-1.5 3,-2.3 -4,-0.3 5,-1.3 -0.667 60.8-146.5 -91.3 123.2 62.7 60.7 29.6 36 36 A P G > 5S+ 0 0 95 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.886 101.2 60.3 -47.7 -42.1 61.6 59.6 33.1 37 37 A A G 3 5S+ 0 0 87 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.743 107.2 47.8 -62.8 -20.1 60.4 63.1 33.9 38 38 A H G < 5S- 0 0 86 -3,-2.3 -1,-0.3 -6,-0.2 171,-0.1 0.209 135.1 -80.6-104.3 16.9 58.0 62.7 31.0 39 39 A G T < 5S+ 0 0 12 -3,-2.5 -2,-0.1 1,-0.3 -6,-0.1 0.111 86.1 129.5 109.6 -24.9 56.6 59.2 31.9 40 40 A A > < + 0 0 20 -5,-1.3 3,-0.6 -8,-0.3 -1,-0.3 -0.132 57.6 18.9 -53.6 156.7 59.3 56.8 30.6 41 41 A G T 3 S- 0 0 21 1,-0.2 21,-0.1 5,-0.0 22,-0.1 -0.374 118.8 -32.6 81.1-157.0 60.8 54.0 33.0 42 42 A K T 3 S- 0 0 60 1,-0.2 3,-0.4 20,-0.1 -1,-0.2 0.526 83.1-140.0 -84.6 -8.0 59.2 52.6 36.2 43 43 A G X - 0 0 31 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 -0.104 42.9 -44.8 77.1-169.5 57.5 55.9 37.2 44 44 A T T 3 S+ 0 0 113 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.667 136.7 46.1 -77.0 -17.2 57.2 57.3 40.7 45 45 A M T > S+ 0 0 18 -3,-0.4 3,-2.6 167,-0.3 4,-0.4 0.162 72.4 123.5-112.5 16.6 56.2 54.2 42.5 46 46 A G T < + 0 0 9 -3,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.632 65.3 64.9 -51.1 -23.6 58.9 52.0 40.9 47 47 A D T 3 S+ 0 0 151 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.643 96.7 58.8 -73.5 -15.5 60.3 51.0 44.3 48 48 A Y S < S+ 0 0 82 -3,-2.6 2,-0.3 1,-0.0 -1,-0.2 0.594 107.1 38.4 -96.7 -12.0 57.1 49.2 45.1 49 49 A W - 0 0 1 -3,-0.4 169,-0.1 -4,-0.4 170,-0.1 -0.950 58.4-154.0-139.2 158.6 56.9 46.7 42.3 50 50 A E - 0 0 90 -2,-0.3 -3,-0.0 -3,-0.0 -4,-0.0 -0.945 33.8 -99.1-125.1 152.9 59.1 44.4 40.2 51 51 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 172,-0.0 -0.270 29.2-145.6 -64.8 150.7 58.6 43.1 36.6 52 52 A I > - 0 0 27 171,-0.1 3,-1.7 172,-0.0 4,-0.4 -0.628 42.0 -84.2-102.7 177.0 57.3 39.6 36.0 53 53 A A T > S+ 0 0 48 1,-0.3 3,-1.1 -2,-0.2 4,-0.2 0.860 127.2 51.4 -54.6 -45.7 58.4 37.5 32.9 54 54 A I T >> S+ 0 0 4 1323,-0.4 3,-2.1 1,-0.2 4,-1.0 0.679 90.1 80.6 -64.6 -19.9 55.9 39.1 30.4 55 55 A S H <> S+ 0 0 2 -3,-1.7 4,-2.9 1,-0.3 8,-0.3 0.735 76.6 71.0 -63.2 -20.7 56.9 42.7 31.3 56 56 A I H <4 S+ 0 0 24 -3,-1.1 -1,-0.3 -4,-0.4 8,-0.2 0.764 105.9 40.1 -64.8 -25.4 60.0 42.5 29.1 57 57 A Y H <4 S+ 0 0 18 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.709 115.8 51.2 -86.9 -27.6 57.4 42.6 26.3 58 58 A M H < S+ 0 0 12 -4,-1.0 179,-0.2 1,-0.2 -2,-0.2 0.830 129.6 15.4 -81.2 -39.0 55.1 45.2 27.9 59 59 A D S >X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.1 3,-1.1 -0.634 73.2 166.6-133.6 69.2 57.9 47.8 28.7 60 60 A P H 3> S+ 0 0 9 0, 0.0 4,-3.2 0, 0.0 -1,-0.1 0.884 72.3 59.5 -54.5 -42.6 60.9 46.7 26.5 61 61 A N H 34 S+ 0 0 72 1,-0.2 -5,-0.1 2,-0.2 -21,-0.0 0.756 116.7 33.9 -59.4 -29.7 62.9 49.9 26.9 62 62 A T H <4 S+ 0 0 52 -3,-1.1 -1,-0.2 -21,-0.1 -6,-0.1 0.860 137.7 14.4 -90.2 -37.5 62.9 49.4 30.7 63 63 A F H < S+ 0 0 39 -4,-2.7 2,-0.4 -8,-0.3 -2,-0.2 0.570 85.4 115.7-118.1 -14.9 63.1 45.6 30.9 64 64 A Y < + 0 0 38 -4,-3.2 -7,-0.0 -5,-0.3 102,-0.0 -0.536 25.3 164.3 -82.6 126.4 64.0 43.8 27.7 65 65 A K - 0 0 129 -2,-0.4 3,-0.1 100,-0.0 100,-0.1 -0.993 41.0-105.5-126.3 140.3 67.2 41.8 27.2 66 66 A P - 0 0 22 0, 0.0 95,-0.1 0, 0.0 99,-0.0 -0.133 47.4 -88.5 -56.4 157.1 67.8 39.3 24.4 67 67 A P - 0 0 26 0, 0.0 97,-0.1 0, 0.0 0, 0.0 -0.282 22.1-131.9 -69.0 153.9 67.6 35.6 25.1 68 68 A V S S+ 0 0 106 1,-0.2 93,-0.1 -3,-0.1 92,-0.0 0.706 81.7 88.3 -76.9 -22.0 70.7 33.7 26.3 69 69 A S + 0 0 65 1,-0.1 -1,-0.2 91,-0.1 2,-0.1 -0.995 65.9 41.3-132.5 142.5 69.9 31.1 23.7 70 70 A P - 0 0 62 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.458 68.2-156.9 -80.3 151.5 70.5 30.7 20.8 71 71 A K + 0 0 159 89,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.725 48.2 129.6 -96.7 76.0 74.2 31.7 20.9 72 72 A E - 0 0 127 -2,-1.4 88,-2.9 2,-0.0 89,-0.4 -0.923 54.0-140.0-135.6 158.7 74.3 32.6 17.3 73 73 A V E -A 159 0A 77 -2,-0.3 2,-0.4 86,-0.2 86,-0.2 -0.938 33.1-175.9-117.4 136.2 75.4 35.4 15.0 74 74 A A E -A 158 0A 19 84,-2.8 84,-2.4 -2,-0.4 2,-0.1 -0.994 22.9-147.3-145.4 143.7 73.1 36.1 12.0 75 75 A E >> - 0 0 89 -2,-0.4 4,-1.2 82,-0.2 3,-0.6 -0.452 50.4 -82.8 -95.2 178.0 72.7 38.1 8.8 76 76 A R H >> S+ 0 0 70 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.854 126.8 46.0 -48.2 -45.9 69.4 39.4 7.3 77 77 A K H 3> S+ 0 0 115 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.795 104.6 61.0 -76.7 -29.8 68.6 36.1 5.5 78 78 A D H <> S+ 0 0 45 -3,-0.6 4,-2.4 2,-0.2 5,-0.5 0.797 97.8 59.1 -68.6 -28.6 69.4 33.9 8.4 79 79 A C H X S+ 0 0 74 -4,-2.4 3,-1.9 1,-0.2 4,-1.9 0.955 117.8 48.6 -69.9 -48.0 65.8 29.9 10.8 83 83 A H H 3X S+ 0 0 61 -4,-1.9 4,-2.2 -5,-0.5 8,-0.3 0.753 94.0 75.0 -61.1 -21.2 62.6 31.5 12.0 84 84 A S H 3< S+ 0 0 54 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.837 113.5 26.6 -64.0 -21.6 60.8 30.0 9.0 85 85 A D H << S+ 0 0 131 -3,-1.9 -2,-0.3 -4,-0.5 -1,-0.2 0.745 124.8 46.6-105.7 -33.7 61.1 26.9 11.2 86 86 A E H < S+ 0 0 123 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.792 135.2 11.1 -83.0 -35.9 61.3 28.2 14.8 87 87 A T S >X S+ 0 0 8 -4,-2.2 4,-1.4 -5,-0.2 3,-0.7 -0.555 79.6 172.8-133.9 69.4 58.3 30.7 14.5 88 88 A P H 3> S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 1281,-0.2 0.788 71.0 51.5 -59.9 -37.0 56.8 29.6 11.2 89 89 A V H 3> S+ 0 0 5 1279,-2.4 4,-3.6 1,-0.2 5,-0.3 0.856 103.6 58.7 -71.5 -31.2 53.7 31.7 11.1 90 90 A W H <> S+ 0 0 48 -3,-0.7 4,-2.7 1278,-0.4 -1,-0.2 0.917 108.1 47.7 -61.1 -37.8 55.5 35.0 11.9 91 91 A V H X S+ 0 0 10 -4,-1.4 4,-2.7 -8,-0.3 -2,-0.2 0.951 113.5 46.9 -69.9 -43.5 57.6 34.3 8.7 92 92 A R H X S+ 0 0 113 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.904 114.6 46.9 -59.7 -47.2 54.4 33.6 6.7 93 93 A A H >X S+ 0 0 2 -4,-3.6 4,-0.6 2,-0.2 3,-0.5 0.960 113.3 48.5 -61.7 -48.3 52.6 36.7 8.1 94 94 A W H >< S+ 0 0 32 -4,-2.7 3,-1.8 -5,-0.3 6,-0.7 0.928 108.0 54.3 -59.1 -44.7 55.6 38.9 7.5 95 95 A K H 3< S+ 0 0 135 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.802 107.9 51.8 -58.5 -30.8 56.0 37.6 3.9 96 96 A R H << S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.565 96.1 99.6 -79.7 -9.1 52.4 38.6 3.4 97 97 A S S << S- 0 0 4 -3,-1.8 3,-0.3 -4,-0.6 4,-0.2 -0.327 81.7-122.6 -84.1 159.8 52.9 42.1 4.7 98 98 A T S > S+ 0 0 69 149,-0.5 3,-2.9 1,-0.2 7,-0.2 0.946 112.6 66.1 -52.1 -46.2 53.5 45.4 2.9 99 99 A H T 3 S+ 0 0 37 1,-0.3 44,-1.7 148,-0.3 3,-0.5 0.846 105.2 41.7 -45.8 -43.5 56.7 45.6 4.9 100 100 A A T 3 S+ 0 0 21 -6,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.375 116.1 50.1 -84.3 -0.5 58.1 42.6 3.0 101 101 A N X> + 0 0 66 -3,-2.9 4,-1.0 -4,-0.2 3,-0.9 -0.265 57.9 147.0-137.1 46.9 56.7 43.7 -0.5 102 102 A L H 3> + 0 0 12 -3,-0.5 4,-2.0 39,-0.3 40,-0.1 0.728 69.3 63.7 -58.5 -26.6 57.8 47.4 -0.9 103 103 A D H 3> S+ 0 0 94 38,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 96.3 58.7 -70.1 -34.5 58.2 47.0 -4.7 104 104 A K H <4 S+ 0 0 161 -3,-0.9 3,-0.4 2,-0.2 -1,-0.2 0.941 107.2 46.0 -51.4 -52.5 54.5 46.4 -5.0 105 105 A I H >< S+ 0 0 16 -4,-1.0 3,-1.5 1,-0.2 -2,-0.2 0.870 109.9 55.6 -58.7 -41.3 53.8 49.7 -3.4 106 106 A R H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 105.4 52.1 -57.4 -36.6 56.4 51.3 -5.6 107 107 A N T 3< S+ 0 0 130 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.208 80.4 130.2 -88.8 12.7 54.6 49.9 -8.7 108 108 A L < - 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0 0 1 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.537 28.8-108.8 -77.3 162.1 32.4 48.1 53.3 437 437 A S H > S+ 0 0 9 1048,-0.3 4,-2.7 1,-0.2 5,-0.2 0.920 119.4 48.3 -59.1 -47.8 29.7 46.8 51.0 438 438 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.846 111.6 53.0 -60.2 -35.3 27.8 50.1 50.8 439 439 A E H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 111.5 43.1 -64.5 -52.4 31.1 51.8 50.1 440 440 A L H X S+ 0 0 2 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.917 112.7 55.1 -58.4 -46.4 32.0 49.5 47.2 441 441 A K H X S+ 0 0 34 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.884 110.8 42.4 -55.8 -45.1 28.4 49.7 45.9 442 442 A V H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.883 114.2 53.8 -75.3 -31.9 28.4 53.5 45.6 443 443 A L H X S+ 0 0 14 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.958 111.1 43.7 -58.5 -57.3 31.9 53.4 44.2 444 444 A E H X>S+ 0 0 19 -4,-3.4 4,-2.5 1,-0.2 5,-1.8 0.821 105.5 65.6 -57.7 -35.1 30.8 50.9 41.4 445 445 A M H <>S+ 0 0 0 -4,-2.0 5,-2.7 -5,-0.3 -1,-0.2 0.937 114.4 28.9 -49.4 -53.0 27.7 53.0 40.9 446 446 A A H <>S+ 0 0 3 -4,-1.7 5,-1.5 -3,-0.2 -2,-0.2 0.966 127.1 43.2 -69.8 -57.9 29.9 55.9 39.6 447 447 A E H <5S+ 0 0 20 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.847 132.1 15.0 -57.7 -47.6 32.9 53.8 38.2 448 448 A N T X5S+ 0 0 10 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.899 131.5 34.9 -94.4 -67.5 30.9 51.1 36.4 449 449 A N H >S+ 0 0 0 -4,-3.0 5,-2.6 8,-0.4 4,-0.6 0.924 113.3 45.8 -58.6 -48.4 25.9 54.0 25.9 457 457 A L H ><5S+ 0 0 0 -4,-2.3 3,-0.9 7,-0.2 -2,-0.2 0.924 113.7 48.5 -57.8 -48.9 24.6 57.5 25.3 458 458 A A H 3<5S+ 0 0 32 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.0 45.1 -66.7 -26.7 27.8 58.6 23.5 459 459 A H H 3<5S- 0 0 36 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.361 110.2-116.7-104.2 6.0 27.6 55.4 21.3 460 460 A V T <<5 + 0 0 34 -3,-0.9 -182,-0.6 -4,-0.6 -181,-0.2 0.852 65.9 139.5 65.8 38.8 23.8 55.5 20.4 461 461 A N > < - 0 0 14 -5,-2.6 3,-1.8 -184,-0.2 4,-0.2 -0.812 32.9-169.0-108.0 97.0 22.8 52.3 22.1 462 462 A P G >> S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.772 85.5 52.3 -59.9 -37.8 19.4 53.0 23.8 463 463 A G G 34>S+ 0 0 15 301,-0.4 6,-1.7 1,-0.3 5,-1.4 0.797 100.3 67.5 -66.1 -27.1 19.3 49.9 25.9 464 464 A G G <45S+ 0 0 2 -3,-1.8 -8,-0.4 1,-0.2 -1,-0.3 0.413 111.1 29.2 -81.1 8.8 22.8 50.7 27.2 465 465 A W T <45S+ 0 0 0 -3,-1.4 6,-1.6 -9,-0.2 -1,-0.2 0.409 128.6 37.5-132.1 -2.9 21.7 53.8 29.1 466 466 A T T <5S- 0 0 2 -4,-0.9 6,-2.4 -3,-0.2 -3,-0.2 0.669 124.3 -3.6-107.0 -93.3 18.2 52.7 29.9 467 467 A Y T 5S+ 0 0 53 4,-0.2 -3,-0.1 -5,-0.2 -4,-0.1 0.935 132.2 33.5 -74.1 -51.0 17.2 49.1 30.8 468 468 A T S S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 -0.657 123.3 31.3 74.7-108.9 23.3 52.9 33.1 471 471 A W H > S+ 0 0 2 -6,-1.6 4,-3.2 -2,-0.8 -1,-0.2 0.849 119.0 47.6 -53.4 -53.4 19.9 53.8 34.5 472 472 A G H > S+ 0 0 8 -6,-2.4 4,-2.8 -3,-0.4 -1,-0.2 0.956 117.5 42.7 -56.3 -55.0 18.5 50.3 35.5 473 473 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.872 116.5 48.4 -57.4 -42.4 21.7 49.3 37.3 474 474 A M H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.889 109.1 54.4 -61.7 -46.8 22.1 52.8 38.9 475 475 A N H X S+ 0 0 1 -4,-3.2 4,-2.8 -5,-0.3 5,-0.2 0.966 110.1 46.5 -47.9 -54.2 18.4 52.5 39.9 476 476 A R H X S+ 0 0 74 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.887 111.5 50.4 -58.3 -41.5 19.2 49.2 41.7 477 477 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.967 112.5 47.4 -66.8 -43.5 22.3 50.6 43.4 478 478 A Y H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.949 112.6 49.2 -59.5 -48.4 20.3 53.6 44.6 479 479 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 461,-0.3 0.919 113.8 45.3 -59.2 -46.7 17.4 51.4 45.9 480 480 A E H X S+ 0 0 40 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.830 111.1 53.0 -72.6 -29.7 19.8 49.1 47.7 481 481 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.7 44.6 -62.9 -45.9 21.8 51.9 49.3 482 482 A Q H X S+ 0 0 14 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.834 114.1 50.4 -64.5 -38.6 18.5 53.5 50.6 483 483 A D H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.950 112.3 43.9 -70.7 -50.8 17.3 50.2 51.8 484 484 A E H X S+ 0 0 29 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.924 111.8 55.4 -60.1 -43.3 20.5 49.3 53.7 485 485 A Y H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.926 108.9 46.8 -56.9 -46.2 20.7 52.8 55.1 486 486 A T H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.943 112.6 48.9 -62.2 -48.0 17.2 52.5 56.6 487 487 A K H X S+ 0 0 61 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.942 111.9 50.1 -55.9 -46.2 17.9 49.0 58.1 488 488 A M H X S+ 0 0 35 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.892 110.0 49.8 -62.5 -38.1 21.1 50.4 59.6 489 489 A Q H X S+ 0 0 90 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.849 112.2 49.1 -66.6 -34.4 19.3 53.3 61.1 490 490 A E H X S+ 0 0 81 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.880 111.8 46.9 -73.2 -38.2 16.7 51.0 62.5 491 491 A L H X S+ 0 0 34 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.834 110.1 54.5 -72.5 -27.2 19.3 48.7 64.0 492 492 A S H X S+ 0 0 75 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.850 109.7 47.1 -72.0 -31.8 21.0 51.7 65.4 493 493 A A H X S+ 0 0 53 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.893 109.7 53.5 -73.7 -40.9 17.8 52.8 67.1 494 494 A L H X S+ 0 0 6 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.828 111.0 47.0 -62.9 -34.7 17.3 49.3 68.4 495 495 A Q H X S+ 0 0 66 -4,-1.7 4,-1.9 2,-0.2 3,-0.3 0.883 106.7 55.7 -72.0 -42.7 20.7 49.4 69.9 496 496 A A H X S+ 0 0 53 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.940 107.0 52.3 -52.1 -50.5 20.3 52.8 71.4 497 497 A R H X S+ 0 0 73 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.798 107.5 52.4 -50.8 -38.2 17.2 51.3 73.2 498 498 A V H X S+ 0 0 0 -4,-0.9 4,-1.0 -3,-0.3 -1,-0.2 0.793 109.0 47.2 -79.7 -31.2 19.3 48.4 74.6 499 499 A N H >< S+ 0 0 82 -4,-1.9 3,-2.5 -3,-0.3 -2,-0.2 0.990 113.2 50.1 -60.7 -65.5 22.0 50.7 76.1 500 500 A K H 3< S+ 0 0 187 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.768 107.2 55.2 -41.3 -38.6 19.3 52.8 77.6 501 501 A L H 3< 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.789 360.0 360.0 -67.2 -29.1 17.7 49.5 79.0 502 502 A E << 0 0 116 -3,-2.5 -2,-0.2 -4,-1.0 -3,-0.1 0.927 360.0 360.0 -87.5 360.0 20.9 48.7 80.7 503 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 504 1 B D 0 0 112 0, 0.0 2,-1.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 121.4 -7.3 43.8 -3.5 505 2 B I > - 0 0 17 1,-0.1 3,-2.1 4,-0.1 15,-0.0 -0.798 360.0-166.5 -85.4 97.7 -4.1 43.4 -1.3 506 3 B S T 3 S+ 0 0 94 -2,-1.1 -1,-0.1 1,-0.3 14,-0.0 0.663 81.7 57.8 -70.1 -10.9 -4.4 39.6 -1.0 507 4 B T T 3 S+ 0 0 21 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.394 87.9 90.8 -91.3 0.4 -1.8 39.5 1.9 508 5 B V S < S- 0 0 5 -3,-2.1 177,-0.1 317,-0.0 5,-0.0 -0.848 85.2-116.1 -96.7 128.3 -3.9 41.9 4.0 509 6 B P >> - 0 0 15 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.323 15.0-117.6 -64.2 148.6 -6.4 40.1 6.3 510 7 B D H 3> S+ 0 0 91 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.854 111.3 66.4 -41.0 -46.8 -10.2 40.4 6.0 511 8 B E H 3> S+ 0 0 89 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.718 99.0 51.5 -63.4 -20.3 -10.4 41.9 9.5 512 9 B T H <> S+ 0 0 2 -3,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.871 110.8 45.3 -79.2 -45.0 -8.5 45.0 8.3 513 10 B Y H X>S+ 0 0 6 -4,-1.2 5,-2.0 2,-0.2 4,-0.8 0.978 116.8 48.0 -61.8 -43.4 -10.8 45.7 5.3 514 11 B D H ><5S+ 0 0 103 -4,-3.2 3,-1.7 1,-0.2 -2,-0.2 0.960 111.0 49.5 -54.3 -56.9 -13.7 45.1 7.7 515 12 B A H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 114.9 46.2 -51.3 -35.2 -12.2 47.4 10.3 516 13 B L H 3<5S- 0 0 24 -4,-2.1 -1,-0.3 -3,-0.1 -2,-0.2 0.519 110.0-122.9 -87.5 -9.6 -11.7 50.0 7.5 517 14 B K T <<5 + 0 0 180 -3,-1.7 2,-0.3 -4,-0.8 -3,-0.2 0.903 66.5 132.8 70.0 42.0 -15.3 49.6 6.1 518 15 B L < - 0 0 37 -5,-2.0 2,-0.6 -6,-0.1 -1,-0.3 -0.904 59.4-129.8-121.0 154.7 -14.0 48.7 2.6 519 16 B D > - 0 0 100 -2,-0.3 4,-3.0 1,-0.1 3,-0.3 -0.926 18.6-146.3 -96.2 120.6 -14.8 46.0 0.2 520 17 B R T 4 S+ 0 0 48 -2,-0.6 -1,-0.1 1,-0.2 8,-0.1 0.772 96.2 53.8 -61.0 -27.5 -11.5 44.3 -0.8 521 18 B G T 4 S+ 0 0 60 1,-0.1 -1,-0.2 -17,-0.1 -3,-0.0 0.910 120.4 28.6 -72.8 -41.4 -12.8 43.7 -4.3 522 19 B K T 4 S+ 0 0 168 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.828 88.4 106.4 -95.4 -38.2 -13.9 47.2 -5.0 523 20 B A < - 0 0 12 -4,-3.0 -5,-0.0 4,-0.1 3,-0.0 -0.189 61.2-140.7 -48.3 131.2 -11.5 49.5 -3.0 524 21 B T > - 0 0 56 1,-0.1 4,-2.6 109,-0.1 5,-0.2 -0.458 28.3-102.7 -84.2 164.3 -9.0 51.3 -5.2 525 22 B P H > S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.933 124.8 54.1 -53.5 -39.8 -5.3 51.7 -4.0 526 23 B K H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 109.6 45.9 -56.5 -47.0 -6.2 55.4 -3.2 527 24 B E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.878 113.4 48.6 -67.7 -40.8 -9.2 54.4 -1.0 528 25 B T H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.963 113.0 48.1 -61.9 -47.9 -7.3 51.8 0.8 529 26 B Y H X S+ 0 0 34 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.930 113.9 46.8 -57.8 -51.5 -4.4 54.2 1.5 530 27 B E H X S+ 0 0 101 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.897 112.2 49.0 -63.7 -41.0 -6.7 57.0 2.7 531 28 B A H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.967 114.5 46.2 -60.6 -47.4 -8.7 54.7 5.0 532 29 B L H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.914 114.1 47.7 -55.7 -47.6 -5.5 53.3 6.5 533 30 B V H X S+ 0 0 20 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.841 106.7 57.3 -71.3 -35.3 -4.0 56.8 6.9 534 31 B K H < S+ 0 0 171 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.956 114.7 38.0 -54.8 -56.7 -7.3 58.1 8.5 535 32 B R H >< S+ 0 0 22 -4,-2.3 3,-1.6 1,-0.2 8,-0.3 0.956 115.0 55.5 -55.2 -53.1 -7.0 55.5 11.2 536 33 B Y H 3< S+ 0 0 7 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.804 112.5 40.9 -51.2 -36.6 -3.2 55.8 11.4 537 34 B K T 3< S+ 0 0 104 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.429 89.2 111.5-101.3 5.5 -3.3 59.6 12.1 538 35 B D X > - 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0 0 40 -3,-1.5 2,-1.3 66,-0.0 3,-0.4 -0.376 63.2-179.0-175.3 84.9 14.1 40.5 26.3 772 269 B N > + 0 0 4 1,-0.2 4,-2.7 -5,-0.2 5,-0.3 -0.312 28.9 141.2 -91.2 53.7 17.4 39.1 25.3 773 270 B N H > S+ 0 0 35 -2,-1.3 4,-2.7 1,-0.2 5,-0.3 0.914 71.1 47.6 -65.9 -48.6 16.4 37.9 21.9 774 271 B W H > S+ 0 0 29 -8,-2.3 4,-2.8 -3,-0.4 5,-0.2 0.940 115.8 47.3 -54.5 -45.4 19.5 38.9 20.0 775 272 B E H > S+ 0 0 65 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.922 116.0 41.5 -66.4 -46.6 21.6 37.3 22.8 776 273 B A H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 3,-0.2 0.941 118.2 46.6 -69.9 -49.3 19.7 34.0 23.0 777 274 B Y H >< S+ 0 0 15 -4,-2.7 6,-1.0 -5,-0.3 3,-0.5 0.937 112.0 49.4 -57.7 -49.5 19.2 33.6 19.2 778 275 B T H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.764 112.9 47.8 -65.2 -22.3 22.9 34.4 18.4 779 276 B M H 3< S+ 0 0 27 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.694 95.5 92.2 -91.5 -19.5 24.1 31.9 21.0 780 277 B S S S+ 0 0 46 182,-0.6 4,-2.6 1,-0.2 5,-0.2 0.937 120.9 58.4 -53.0 -49.3 22.9 26.6 17.1 782 279 B H H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 111.9 36.5 -43.4 -54.6 20.5 28.5 14.8 783 280 B G H > S+ 0 0 0 -6,-1.0 4,-2.1 179,-0.2 -5,-0.2 0.873 113.8 56.5 -81.7 -31.5 22.1 31.9 15.2 784 281 B K H X S+ 0 0 3 -4,-2.9 4,-2.2 -7,-0.3 -2,-0.2 0.929 109.2 47.4 -54.6 -47.7 25.6 30.5 15.4 785 282 B L H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.847 107.8 56.1 -62.9 -42.3 25.1 28.9 12.0 786 283 B A H X S+ 0 0 6 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.841 108.7 47.4 -57.8 -38.1 23.7 32.1 10.6 787 284 B E H >< S+ 0 0 26 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.932 114.8 46.5 -63.9 -44.7 27.0 33.8 11.7 788 285 B M H 3< S+ 0 0 9 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.777 121.2 35.6 -73.2 -27.8 29.0 31.1 10.1 789 286 B N H >X S+ 0 0 5 -4,-2.3 3,-2.0 1,-0.2 4,-0.9 0.329 77.8 110.6-106.9 7.7 27.1 31.0 6.9 790 287 B R T << S+ 0 0 36 -3,-0.8 3,-0.4 -4,-0.5 -1,-0.2 0.788 81.8 52.4 -57.4 -22.7 26.2 34.6 6.3 791 288 B D T 34 S+ 0 0 76 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.624 106.1 51.4 -92.2 -6.5 28.5 34.7 3.4 792 289 B K T <4 S+ 0 0 110 -3,-2.0 2,-0.2 2,-0.0 -1,-0.2 0.517 94.2 88.0 -94.2 -14.0 27.1 31.7 1.7 793 290 B W S < S- 0 0 16 -4,-0.9 2,-0.9 -3,-0.4 14,-0.2 -0.652 74.8-131.7 -90.0 146.0 23.4 32.9 1.7 794 291 B N > - 0 0 66 12,-2.3 3,-0.7 -2,-0.2 14,-0.2 -0.860 25.3-179.8 -92.9 107.7 21.9 35.2 -0.9 795 292 B W T 3 + 0 0 26 -2,-0.9 -38,-0.2 1,-0.2 -1,-0.2 0.559 69.3 73.7 -83.2 -11.3 20.2 37.7 1.2 796 293 B E T 3 S+ 0 0 76 -3,-0.1 -1,-0.2 10,-0.1 2,-0.2 0.686 77.9 88.7 -78.3 -20.3 18.9 39.6 -1.8 797 294 B V S < S- 0 0 1 -3,-0.7 -180,-0.1 1,-0.1 5,-0.1 -0.475 90.8 -95.0 -77.8 153.1 16.2 37.0 -2.6 798 295 B R >> - 0 0 87 -182,-0.4 3,-1.5 -2,-0.2 4,-0.5 -0.209 32.0-109.6 -68.0 156.3 12.8 37.3 -0.9 799 296 B L H >> S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.855 118.7 63.9 -51.7 -38.4 12.0 35.5 2.3 800 297 B K H 34 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.836 114.2 35.6 -56.3 -29.9 9.6 33.2 0.3 801 298 B D H X4>S+ 0 0 14 -3,-1.5 5,-2.2 1,-0.1 3,-0.8 0.379 87.2 101.6-104.2 -0.7 12.8 32.0 -1.6 802 299 B A H <<5S+ 0 0 4 -3,-1.4 6,-2.5 -4,-0.5 -8,-0.2 0.908 85.5 44.6 -57.3 -44.9 15.4 32.1 1.2 803 300 B F T 3<5S+ 0 0 21 -4,-0.5 -1,-0.3 4,-0.2 -2,-0.1 0.668 127.2 27.4 -74.3 -18.6 15.4 28.4 1.9 804 301 B S T X 5S+ 0 0 39 -3,-0.8 3,-0.9 -4,-0.1 -2,-0.1 0.742 136.1 18.5-104.5 -79.3 15.5 27.5 -1.8 805 302 B K T 3 5S+ 0 0 123 -4,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.736 124.9 55.3 -62.7 -27.5 17.1 30.1 -4.0 806 303 B G T 3 - 0 0 2 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.872 35.2 -97.3-130.0 165.2 16.6 33.8 11.1 813 310 B C H > S+ 0 0 29 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.894 122.8 42.6 -43.1 -56.5 14.5 36.4 13.0 814 311 B A H > S+ 0 0 12 -57,-0.5 4,-2.5 1,-0.2 5,-0.2 0.921 113.6 52.0 -67.9 -39.3 12.7 37.6 9.9 815 312 B A H 4 S+ 0 0 3 -58,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.869 116.6 39.2 -68.3 -38.2 12.2 34.1 8.5 816 313 B C H < S+ 0 0 33 -4,-2.9 3,-0.4 2,-0.1 -1,-0.2 0.932 123.9 36.6 -70.5 -47.5 10.6 32.8 11.6 817 314 B H H < S+ 0 0 70 -4,-2.7 13,-0.2 -5,-0.3 14,-0.2 0.733 116.2 48.8 -89.7 -17.9 8.5 35.8 12.7 818 315 B M S < S+ 0 0 40 -4,-2.5 7,-1.7 -5,-0.3 2,-0.3 0.545 92.6 91.7 -90.7 -7.0 7.3 37.1 9.3 819 316 B E E +E 824 0E 4 -3,-0.4 2,-0.3 -4,-0.3 5,-0.2 -0.636 48.0 170.3 -89.8 141.8 6.2 33.7 8.0 820 317 B Y E > -E 823 0E 66 3,-2.7 3,-2.1 -2,-0.3 39,-0.1 -0.821 69.0 -24.8-154.7 114.2 2.5 32.8 8.6 821 318 B E T 3 S- 0 0 102 -2,-0.3 3,-0.1 1,-0.3 38,-0.1 0.869 128.1 -45.5 52.6 46.4 0.8 29.7 7.1 822 319 B G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -22,-0.0 2,-0.3 0.316 121.7 93.5 81.1 -7.6 3.3 29.7 4.1 823 320 B E E < -E 820 0E 72 -3,-2.1 -3,-2.7 -316,-0.0 2,-0.4 -0.778 62.4-140.3-112.6 165.3 3.3 33.4 3.3 824 321 B Y E +E 819 0E 25 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.974 30.8 153.5-121.3 136.5 5.6 36.3 4.5 825 322 B T - 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0 0 19 -4,-2.5 3,-0.3 -70,-0.3 -1,-0.2 -0.977 57.5-144.9-138.0 144.7 25.7 12.1 18.5 1245 239 C C S S+ 0 0 41 -2,-0.3 4,-0.5 -72,-0.3 3,-0.3 0.167 77.9 84.0 -93.4 17.5 28.4 13.5 16.2 1246 240 C D + 0 0 18 1,-0.2 5,-0.4 2,-0.1 -1,-0.2 0.039 53.0 94.5-117.2 30.6 26.6 16.7 15.0 1247 241 C N S S+ 0 0 27 -3,-0.3 3,-0.2 3,-0.1 -1,-0.2 0.672 99.4 28.3 -90.3 -16.8 27.2 19.4 17.5 1248 242 C C S S+ 0 0 41 1,-0.4 2,-0.6 -3,-0.3 13,-0.1 0.770 134.0 30.3-105.8 -51.4 30.2 20.9 15.8 1249 243 C H S S- 0 0 42 -4,-0.5 -1,-0.4 9,-0.1 7,-0.1 -0.979 100.6-146.8-107.4 108.1 29.6 20.0 12.2 1250 244 C T > - 0 0 10 -2,-0.6 4,-2.5 -3,-0.2 3,-0.4 -0.308 20.5 -63.3 -85.6 162.2 25.8 20.0 12.2 1251 245 C R T 4 S+ 0 0 70 -5,-0.4 -1,-0.1 1,-0.3 4,-0.0 -0.479 104.8 11.9 -73.5 148.1 23.1 18.0 10.4 1252 246 C H T 4 S+ 0 0 31 -156,-0.2 -1,-0.3 -2,-0.1 -149,-0.1 -0.953 127.2 41.1-109.4 10.4 22.5 17.9 7.5 1253 247 C E T 4 S- 0 0 26 -3,-0.4 -149,-0.5 -150,-0.1 -148,-0.3 0.756 74.9-161.8 -74.6 -29.1 25.5 19.6 5.7 1254 248 C F < - 0 0 61 -4,-2.5 2,-0.6 1,-0.2 -150,-0.2 0.928 18.6-175.8 36.6 62.2 28.0 18.0 8.0 1255 249 C S > - 0 0 21 -5,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.761 28.2-159.8 -90.9 117.2 30.6 20.6 7.0 1256 250 C A H > S+ 0 0 27 -2,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.842 95.7 59.9 -56.7 -35.4 34.1 20.2 8.4 1257 251 C A H > S+ 0 0 5 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.877 103.4 51.4 -59.9 -42.6 34.7 23.9 7.6 1258 252 C E H >4 S+ 0 0 6 -3,-0.3 3,-1.6 1,-0.2 6,-0.4 0.952 106.0 53.1 -62.6 -45.6 31.8 24.7 9.9 1259 253 C S H 3< S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.735 103.9 59.1 -64.4 -17.1 33.3 22.6 12.8 1260 254 C R H 3< S+ 0 0 28 -4,-1.1 57,-0.4 -3,-0.4 58,-0.3 0.659 85.8 92.9 -83.7 -15.4 36.6 24.5 12.4 1261 255 C K S X< S- 0 0 24 -3,-1.6 3,-2.0 -4,-0.6 4,-0.4 -0.587 83.2-125.6 -80.3 139.0 35.0 27.9 13.1 1262 256 C P T >> S+ 0 0 6 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.787 107.1 69.2 -54.2 -34.2 35.0 29.1 16.8 1263 257 C E H >> S+ 0 0 8 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.772 84.9 69.6 -52.3 -29.0 31.2 29.6 16.6 1264 258 C A H <4 S+ 0 0 6 -3,-2.0 -1,-0.2 -6,-0.4 4,-0.2 0.770 105.6 40.4 -64.5 -26.0 30.8 25.7 16.4 1265 259 C C H X> S+ 0 0 34 -3,-1.5 4,-2.5 -4,-0.4 3,-0.6 0.562 96.5 84.8 -96.6 -11.2 31.9 25.4 20.1 1266 260 C A H << S+ 0 0 1 -3,-0.7 11,-0.2 -4,-0.6 -2,-0.1 0.751 73.7 63.7 -72.6 -37.8 30.1 28.5 21.4 1267 261 C T T 3< S+ 0 0 16 -4,-0.6 -301,-0.3 1,-0.2 -1,-0.2 0.873 121.0 25.3 -57.2 -35.6 26.6 27.3 22.2 1268 262 C C T <4 S+ 0 0 36 -3,-0.6 2,-1.3 1,-0.2 -2,-0.2 0.840 117.1 59.1 -93.5 -39.1 28.1 24.9 24.8 1269 263 C H S < S+ 0 0 82 -4,-2.5 8,-2.2 6,-0.1 2,-0.3 -0.444 93.5 77.2 -93.9 61.6 31.4 26.6 25.8 1270 264 C S + 0 0 17 -2,-1.3 3,-0.3 -3,-0.2 5,-0.2 -0.915 56.9 61.2-150.3 172.5 30.0 29.9 27.0 1271 265 C G S > S- 0 0 6 -2,-0.3 3,-1.5 1,-0.2 7,-0.1 -0.316 87.6 -28.3 103.3-170.0 28.3 31.3 30.0 1272 266 C V T 3 S+ 0 0 25 1,-0.3 186,-0.3 -306,-0.2 3,-0.2 0.627 130.9 32.3 -65.0 -22.7 28.5 32.0 33.7 1273 267 C D T 3 S+ 0 0 2 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.338 134.5 18.4-121.2 11.9 30.8 29.2 34.8 1274 268 C H < + 0 0 41 -3,-1.5 2,-0.8 66,-0.0 3,-0.4 -0.379 62.5 177.5-174.6 85.3 33.0 28.7 31.6 1275 269 C N > + 0 0 7 1,-0.2 4,-2.9 -5,-0.2 5,-0.3 -0.281 26.9 141.2 -93.9 49.7 32.9 31.7 29.4 1276 270 C N H > S+ 0 0 34 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.913 72.3 51.6 -58.9 -43.1 35.4 30.5 26.8 1277 271 C W H > S+ 0 0 29 -8,-2.2 4,-2.6 -3,-0.4 -1,-0.2 0.940 113.9 43.2 -61.1 -48.7 33.4 31.9 23.9 1278 272 C E H > S+ 0 0 64 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.900 118.3 43.8 -62.8 -40.4 33.3 35.3 25.5 1279 273 C A H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 3,-0.4 0.977 116.9 45.8 -76.6 -44.0 37.0 35.4 26.6 1280 274 C Y H >< S+ 0 0 14 -4,-2.9 6,-1.0 -5,-0.3 3,-0.8 0.939 112.2 49.2 -62.4 -47.9 38.3 34.0 23.4 1281 275 C T H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.786 112.5 49.7 -65.7 -25.9 36.3 36.3 21.1 1282 276 C M H 3< S+ 0 0 26 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.676 94.3 89.9 -85.5 -16.0 37.4 39.4 23.1 1283 277 C S S S+ 0 0 46 182,-0.5 4,-2.8 1,-0.2 5,-0.3 0.908 122.3 58.2 -56.4 -46.9 43.2 39.8 20.3 1285 279 C H H > S+ 0 0 52 181,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 110.6 40.7 -42.3 -58.9 43.3 36.2 19.0 1286 280 C G H > S+ 0 0 1 -6,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.863 114.3 52.0 -59.2 -42.3 39.4 36.1 18.7 1287 281 C K H X S+ 0 0 2 -4,-2.3 4,-3.0 -7,-0.3 -1,-0.2 0.916 109.1 50.0 -70.2 -39.3 39.1 39.6 17.3 1288 282 C L H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.924 109.6 52.4 -62.2 -41.6 41.7 38.8 14.6 1289 283 C A H X S+ 0 0 6 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.885 111.4 47.0 -58.4 -39.4 39.7 35.7 13.8 1290 284 C E H >< S+ 0 0 27 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.954 114.7 46.2 -64.2 -46.5 36.6 37.9 13.5 1291 285 C M H 3< S+ 0 0 10 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.745 123.4 33.0 -66.8 -29.8 38.5 40.4 11.3 1292 286 C N H >X S+ 0 0 5 -4,-2.1 3,-2.5 -5,-0.2 4,-1.0 0.301 78.5 110.7-111.5 2.7 40.0 37.8 9.0 1293 287 C R T << S+ 0 0 27 -4,-1.0 3,-0.5 -3,-0.6 5,-0.2 0.821 82.0 52.4 -44.2 -36.8 37.4 35.1 8.9 1294 288 C D T 34 S+ 0 0 95 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.446 106.9 53.0 -86.0 3.3 36.8 36.0 5.2 1295 289 C K T <4 S+ 0 0 119 -3,-2.5 2,-0.2 15,-0.0 -1,-0.2 0.617 93.8 79.9-110.1 -18.7 40.4 35.7 4.3 1296 290 C W S < S- 0 0 15 -4,-1.0 2,-0.8 -3,-0.5 14,-0.2 -0.640 78.4-127.0 -95.4 151.0 41.1 32.3 5.6 1297 291 C N > - 0 0 66 12,-2.3 3,-0.9 -2,-0.2 14,-0.1 -0.865 23.4-175.6 -93.4 103.7 40.2 29.1 3.7 1298 292 C W T 3 S+ 0 0 29 -2,-0.8 -38,-0.1 1,-0.2 -1,-0.1 0.604 72.5 75.2 -80.1 -8.5 38.2 27.1 6.3 1299 293 C E T 3 S+ 0 0 67 10,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.738 76.1 90.0 -74.2 -21.4 37.9 24.1 3.9 1300 294 C V S < S- 0 0 2 -3,-0.9 -180,-0.1 1,-0.1 5,-0.1 -0.414 89.3-101.1 -74.3 153.1 41.5 23.0 4.4 1301 295 C R > - 0 0 87 -182,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.308 34.3-104.4 -70.2 156.8 42.3 20.6 7.2 1302 296 C L G >> S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.862 120.1 62.2 -44.1 -40.5 43.7 21.9 10.5 1303 297 C K G 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.734 113.4 36.5 -65.5 -22.5 47.1 20.6 9.6 1304 298 C D G X4>S+ 0 0 17 -3,-2.1 5,-2.3 3,-0.1 3,-0.9 0.276 88.2 103.3-107.3 3.6 47.1 22.9 6.6 1305 299 C A T <45S+ 0 0 3 -3,-1.7 6,-2.4 -4,-0.4 -8,-0.2 0.931 83.7 43.6 -59.0 -50.6 45.3 25.8 8.3 1306 300 C F T 3<5S+ 0 0 24 -4,-0.5 -1,-0.3 4,-0.2 -2,-0.1 0.564 127.8 26.3 -73.8 -12.7 48.4 28.0 8.8 1307 301 C S T X 5S+ 0 0 46 -3,-0.9 3,-0.8 3,-0.1 -2,-0.1 0.638 135.6 20.3-111.1 -81.6 49.9 27.4 5.3 1308 302 C K T 3 5S+ 0 0 123 -4,-0.3 -3,-0.2 1,-0.2 -2,-0.1 0.788 126.9 52.8 -60.6 -27.8 47.3 26.5 2.7 1309 303 C G T 3 - 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