==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 28-APR-10 3MQQ . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, LUXR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR A.J.STEIN,C.TESAR,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 26.8 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 2 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 4 A I 0 0 71 0, 0.0 2,-0.1 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0 118.8 3.9 -21.4 15.9 2 5 A D > - 0 0 97 1,-0.1 4,-2.5 4,-0.0 5,-0.1 -0.336 360.0 -98.2 -90.3 177.1 4.0 -19.0 18.8 3 6 A Y H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.842 121.8 51.2 -70.9 -34.1 6.9 -16.7 19.6 4 7 A K H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 112.0 46.9 -62.6 -50.3 8.4 -19.0 22.3 5 8 A T H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 53.4 -57.1 -46.6 8.3 -22.0 20.0 6 9 A A H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.915 107.8 50.2 -54.1 -49.2 9.9 -19.9 17.2 7 10 A F H < S+ 0 0 11 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.942 115.8 42.7 -55.9 -48.2 12.8 -18.8 19.4 8 11 A H H < S+ 0 0 55 -4,-2.2 19,-0.5 1,-0.2 20,-0.2 0.765 117.3 45.7 -73.2 -25.7 13.4 -22.5 20.4 9 12 A L H < S+ 0 0 28 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.601 81.7 127.5 -86.9 -17.6 13.0 -23.9 16.9 10 13 A A < - 0 0 3 -4,-1.4 18,-0.3 -3,-0.4 4,-0.1 -0.124 60.3-136.6 -58.6 139.5 15.2 -21.3 15.1 11 14 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.334 86.4 61.6 -76.6 2.7 17.9 -22.7 12.9 12 15 A I S S- 0 0 5 193,-0.1 17,-0.3 97,-0.1 16,-0.3 -0.918 99.0 -93.1-122.0 156.8 20.4 -20.1 14.2 13 16 A G E -A 108 0A 0 95,-2.3 95,-2.2 15,-0.3 2,-0.4 -0.497 45.1-168.6 -65.7 134.2 21.7 -19.5 17.7 14 17 A L E -A 107 0A 14 93,-0.2 12,-1.3 -2,-0.2 2,-0.4 -0.971 7.2-174.3-127.9 142.6 19.6 -16.9 19.5 15 18 A V E -AB 106 25A 0 91,-2.4 91,-2.3 -2,-0.4 2,-0.6 -0.999 20.0-154.7-133.5 133.6 20.3 -15.2 22.8 16 19 A L E -AB 105 24A 12 8,-2.7 7,-2.7 -2,-0.4 8,-1.6 -0.967 38.2-173.4 -98.3 123.3 18.3 -12.8 24.9 17 20 A S E -AB 104 22A 6 87,-2.9 87,-1.5 -2,-0.6 2,-0.3 -0.705 27.8-171.0-117.7 162.4 21.1 -10.9 26.8 18 21 A R E > S- B 0 21A 124 3,-1.8 3,-1.4 85,-0.2 84,-0.2 -0.869 80.2 -13.8-148.7 125.5 21.5 -8.4 29.5 19 22 A D T 3 S- 0 0 109 82,-0.3 83,-0.2 -2,-0.3 3,-0.1 0.873 127.9 -53.8 52.9 43.1 24.9 -6.7 30.3 20 23 A R T 3 S+ 0 0 33 81,-0.8 25,-2.9 82,-0.4 2,-0.4 0.672 113.4 118.3 66.1 21.6 26.8 -9.3 28.2 21 24 A V E < S-BC 18 44A 38 -3,-1.4 -3,-1.8 23,-0.3 2,-0.6 -0.952 70.2-118.0-114.7 140.0 25.3 -12.2 30.0 22 25 A I E +B 17 0A 0 21,-3.1 20,-3.3 -2,-0.4 21,-0.4 -0.620 33.2 173.1 -76.0 116.1 23.1 -14.8 28.4 23 26 A E E S- 0 0 77 -7,-2.7 2,-0.3 -2,-0.6 -6,-0.2 0.783 72.2 -2.2 -91.9 -34.6 19.6 -14.7 30.0 24 27 A D E +B 16 0A 21 -8,-1.6 -8,-2.7 16,-0.1 -1,-0.4 -0.977 67.6 172.9-151.3 150.7 18.0 -17.1 27.6 25 28 A C E -B 15 0A 0 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.962 25.8-114.8-152.1 167.7 19.1 -19.0 24.5 26 29 A N >> - 0 0 0 -12,-1.3 4,-1.4 -2,-0.3 3,-0.7 -0.512 34.5-103.0-103.0 170.2 17.9 -21.7 22.2 27 30 A D H 3> S+ 0 0 102 -19,-0.5 4,-2.8 1,-0.2 5,-0.1 0.785 117.3 64.6 -64.4 -29.0 19.2 -25.3 21.5 28 31 A E H 3> S+ 0 0 43 -18,-0.3 4,-2.7 -16,-0.3 -15,-0.3 0.881 99.6 51.6 -61.4 -36.7 20.9 -24.1 18.3 29 32 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 -17,-0.3 -1,-0.2 0.939 111.1 48.3 -64.6 -44.3 23.2 -21.9 20.3 30 33 A A H <>S+ 0 0 4 -4,-1.4 5,-2.6 2,-0.2 4,-0.5 0.904 110.6 52.6 -56.5 -44.7 24.0 -24.9 22.4 31 34 A A H ><5S+ 0 0 49 -4,-2.8 3,-0.9 3,-0.2 -2,-0.2 0.921 109.2 48.1 -59.6 -45.7 24.5 -27.0 19.2 32 35 A I H 3<5S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.922 116.8 42.3 -61.0 -44.8 27.0 -24.4 17.8 33 36 A F T 3<5S- 0 0 2 -4,-2.3 48,-2.7 -5,-0.2 -1,-0.2 0.377 110.4-122.2 -88.8 7.2 29.0 -24.3 21.0 34 37 A R T < 5S+ 0 0 141 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.2 0.872 76.1 92.2 56.8 47.2 28.8 -28.0 21.5 35 38 A C S > - 0 0 48 -2,-0.2 3,-1.1 -3,-0.1 4,-0.5 -0.731 34.7-118.0-101.5 155.4 23.8 -27.8 26.8 37 40 A R H >> S+ 0 0 85 -2,-0.3 4,-2.2 1,-0.3 3,-1.4 0.866 116.7 61.5 -57.4 -36.8 21.5 -24.8 27.3 38 41 A A H 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.756 98.2 57.4 -62.4 -24.2 22.1 -25.2 31.0 39 42 A D H <4 S+ 0 0 77 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.704 114.8 37.3 -74.0 -20.5 25.8 -24.5 30.4 40 43 A L H X< S+ 0 0 4 -3,-1.4 3,-2.1 -4,-0.5 -18,-0.3 0.708 87.1 102.4-107.0 -27.1 25.0 -21.2 28.8 41 44 A I T 3< S+ 0 0 71 -4,-2.2 -18,-0.2 1,-0.3 3,-0.1 -0.450 99.3 7.5 -65.1 120.9 22.1 -19.8 30.8 42 45 A G T 3 S+ 0 0 53 -20,-3.3 2,-0.4 1,-0.3 -1,-0.3 0.562 102.6 133.0 83.9 7.4 23.4 -17.1 33.2 43 46 A R < - 0 0 116 -3,-2.1 -21,-3.1 -21,-0.4 -1,-0.3 -0.757 60.5-115.6 -93.2 135.9 26.8 -17.3 31.5 44 47 A S B > -C 21 0A 40 -2,-0.4 3,-1.8 -23,-0.3 -23,-0.3 -0.467 22.4-124.0 -57.5 136.5 28.9 -14.2 30.4 45 48 A F G >> S+ 0 0 12 -25,-2.9 3,-2.1 1,-0.3 4,-0.5 0.740 103.1 85.2 -48.7 -25.3 29.5 -14.0 26.6 46 49 A E G >4 S+ 0 0 63 -26,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.819 79.2 61.1 -49.7 -35.0 33.1 -13.9 27.6 47 50 A V G <4 S+ 0 0 52 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.707 99.3 56.1 -71.4 -18.1 33.2 -17.8 27.8 48 51 A L G <4 S+ 0 0 4 -3,-2.1 31,-2.6 -4,-0.3 -1,-0.3 0.550 93.2 85.9 -87.8 -14.7 32.3 -18.0 24.1 49 52 A Y S << S- 0 0 9 -3,-1.3 29,-0.2 -4,-0.5 3,-0.1 -0.462 89.0-115.0 -86.2 162.7 35.3 -15.8 23.0 50 53 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.780 94.6 -9.3 -64.0 -28.3 38.8 -17.2 22.3 51 54 A S S > S- 0 0 49 1,-0.1 4,-1.9 -5,-0.1 5,-0.1 -0.962 70.1-102.8-157.6 168.9 40.1 -15.1 25.2 52 55 A S H > S+ 0 0 70 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.857 120.8 58.7 -65.9 -35.9 39.1 -12.4 27.8 53 56 A D H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 106.1 47.0 -59.2 -42.5 41.1 -10.0 25.7 54 57 A E H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.906 109.3 53.7 -65.7 -42.2 38.9 -10.7 22.6 55 58 A F H X S+ 0 0 38 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.913 114.2 43.1 -56.4 -42.8 35.8 -10.4 24.7 56 59 A E H X S+ 0 0 44 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.909 115.0 48.4 -69.5 -43.7 37.0 -6.9 25.9 57 60 A R H X S+ 0 0 105 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.913 113.5 45.3 -66.4 -45.0 38.2 -5.8 22.4 58 61 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.847 108.2 57.7 -72.8 -31.4 35.1 -6.7 20.6 59 62 A G H X S+ 0 0 3 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.899 106.3 50.0 -61.2 -41.2 32.9 -5.2 23.3 60 63 A E H < S+ 0 0 152 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.757 111.9 49.1 -69.8 -22.7 34.7 -1.9 22.6 61 64 A R H X S+ 0 0 92 -4,-1.0 4,-0.9 -5,-0.1 -2,-0.2 0.860 111.6 48.4 -79.2 -38.5 34.0 -2.4 18.9 62 65 A I H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.1 5,-0.3 0.875 100.6 65.1 -68.7 -42.0 30.3 -3.1 19.5 63 66 A S H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.936 106.7 35.8 -56.6 -59.4 29.5 -0.2 21.7 64 67 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.849 119.2 52.0 -66.0 -29.3 30.0 2.8 19.4 65 68 A V H X S+ 0 0 21 -4,-0.9 4,-2.4 2,-0.2 6,-0.4 0.941 110.1 47.2 -69.5 -46.0 28.7 0.9 16.4 66 69 A X H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.896 114.5 48.0 -62.1 -40.4 25.5 -0.1 18.1 67 70 A I H < S+ 0 0 68 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.937 114.2 45.6 -67.1 -46.6 25.0 3.4 19.3 68 71 A A H < S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.844 130.8 19.5 -63.8 -36.7 25.6 5.0 15.9 69 72 A H H < S- 0 0 133 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.650 91.9-124.2-113.5 -19.7 23.5 2.6 13.9 70 73 A G S < S+ 0 0 14 -4,-2.6 2,-0.3 -5,-0.4 -4,-0.2 0.450 87.9 52.8 81.0 1.9 21.0 0.9 16.3 71 74 A S - 0 0 40 -6,-0.4 2,-0.3 22,-0.1 -2,-0.3 -0.950 66.8-148.7-155.4 171.4 22.2 -2.6 15.2 72 75 A Y E +D 92 0A 4 20,-1.9 20,-2.6 -2,-0.3 2,-0.3 -0.997 14.9 169.0-147.1 139.7 25.4 -4.5 14.9 73 76 A A E +D 91 0A 29 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.974 12.6 141.7-146.8 146.5 26.8 -7.3 12.7 74 77 A D E -D 90 0A 1 16,-2.1 16,-2.5 -2,-0.3 2,-0.4 -0.961 41.4-117.1-161.1 177.1 30.3 -8.8 12.2 75 78 A D E +De 89 231A 12 155,-1.3 157,-2.6 -2,-0.3 2,-0.3 -0.971 43.0 158.1-118.4 138.2 32.2 -12.0 11.6 76 79 A R E -D 88 0A 2 12,-2.3 12,-2.7 -2,-0.4 2,-0.4 -0.990 45.0 -93.4-152.6 164.0 34.6 -13.1 14.3 77 80 A I E +D 87 0A 59 155,-0.4 10,-0.2 -2,-0.3 2,-0.2 -0.667 45.7 178.6 -80.8 131.0 36.5 -16.1 15.7 78 81 A X E -D 86 0A 0 8,-3.2 8,-2.2 -2,-0.4 2,-0.5 -0.710 22.1-120.9-124.5 175.6 34.6 -17.8 18.5 79 82 A K E -D 85 0A 61 -31,-2.6 6,-0.2 -2,-0.2 5,-0.1 -0.961 13.2-144.1-132.2 121.5 35.4 -20.9 20.7 80 83 A R > - 0 0 6 4,-3.1 3,-2.7 -2,-0.5 -46,-0.2 -0.291 46.1 -80.8 -69.5 159.0 33.3 -24.1 21.2 81 84 A A T 3 S+ 0 0 53 -48,-2.7 3,-0.3 1,-0.3 -1,-0.1 -0.442 126.6 35.3 -56.8 133.3 33.2 -25.8 24.5 82 85 A G T 3 S- 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.211 129.8 -83.7 96.7 -15.6 36.5 -27.8 24.5 83 86 A G S < S+ 0 0 29 -3,-2.7 2,-0.2 1,-0.3 -1,-0.2 0.308 72.6 151.6 108.6 -7.4 38.4 -25.1 22.7 84 87 A E - 0 0 118 -3,-0.3 -4,-3.1 -5,-0.1 2,-0.3 -0.409 37.2-141.5 -63.2 125.1 37.7 -25.5 18.9 85 88 A L E +D 79 0A 103 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.657 29.0 165.2 -87.3 141.5 38.0 -22.2 17.2 86 89 A F E -D 78 0A 10 -8,-2.2 -8,-3.2 -2,-0.3 2,-0.4 -0.988 40.2-101.9-152.2 154.6 35.6 -21.3 14.4 87 90 A W E -D 77 0A 124 -2,-0.3 24,-2.7 -10,-0.2 25,-0.6 -0.707 41.1-173.0 -81.8 135.4 34.3 -18.3 12.4 88 91 A C E -DF 76 110A 0 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.5 -0.987 21.5-140.8-135.4 129.9 30.9 -17.1 13.6 89 92 A H E -DF 75 109A 10 20,-2.9 20,-1.9 -2,-0.4 2,-0.4 -0.830 27.9-172.1 -90.6 129.2 28.6 -14.5 12.1 90 93 A V E -DF 74 108A 2 -16,-2.5 -16,-2.1 -2,-0.5 2,-0.3 -0.969 10.9-179.5-124.1 137.9 27.0 -12.4 14.9 91 94 A T E +DF 73 107A 2 16,-1.5 16,-2.9 -2,-0.4 2,-0.3 -0.961 8.2 178.9-130.9 154.9 24.2 -9.9 14.8 92 95 A G E -DF 72 106A 0 -20,-2.6 -20,-1.9 -2,-0.3 2,-0.4 -0.999 18.7-166.4-152.4 149.3 22.7 -7.9 17.6 93 96 A R E - F 0 105A 52 12,-2.3 12,-2.2 -2,-0.3 2,-0.2 -0.945 20.8-140.7-137.2 125.4 20.1 -5.2 18.4 94 97 A A E - F 0 104A 6 -2,-0.4 10,-0.3 10,-0.2 3,-0.2 -0.499 17.5-129.1 -76.3 147.8 20.0 -3.5 21.8 95 98 A L S S+ 0 0 97 8,-2.7 2,-0.4 1,-0.3 9,-0.1 0.868 107.8 23.3 -61.3 -37.6 16.7 -2.7 23.4 96 99 A D S > S- 0 0 85 7,-0.5 3,-2.2 3,-0.5 -1,-0.3 -0.988 78.3-148.6-130.0 118.7 18.0 0.9 23.8 97 100 A R T 3 S+ 0 0 135 -2,-0.4 -27,-0.2 1,-0.3 -28,-0.1 0.764 98.7 57.8 -64.0 -25.1 20.8 1.8 21.3 98 101 A T T 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.461 106.4 51.0 -83.6 -2.6 22.4 4.2 23.8 99 102 A A S X S+ 0 0 33 -3,-2.2 3,-1.4 1,-0.1 -3,-0.5 -0.635 77.0 167.0-121.6 69.2 22.7 1.2 26.2 100 103 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.758 71.6 36.8 -64.6 -31.9 24.3 -1.0 23.6 101 104 A L T 3 S+ 0 0 39 -3,-0.1 -81,-0.8 -7,-0.1 -82,-0.3 0.262 101.8 85.7-105.9 7.4 25.6 -3.8 25.8 102 105 A A S < S- 0 0 28 -3,-1.4 -82,-0.4 1,-0.3 -85,-0.1 0.222 99.9 -12.0 -80.4-145.4 22.6 -3.8 28.1 103 106 A A S S+ 0 0 18 -85,-0.2 -8,-2.7 -9,-0.1 -7,-0.5 -0.227 85.2 142.6 -60.2 139.8 19.5 -5.9 27.2 104 107 A G E -AF 17 94A 0 -87,-1.5 -87,-2.9 -10,-0.3 2,-0.5 -0.977 50.8-110.5-165.8 169.7 19.5 -7.1 23.6 105 108 A V E -AF 16 93A 4 -12,-2.2 -12,-2.3 -2,-0.3 2,-0.4 -0.982 37.5-172.6-112.9 125.9 18.7 -9.8 21.1 106 109 A W E -AF 15 92A 9 -91,-2.3 -91,-2.4 -2,-0.5 2,-0.3 -0.947 9.3-157.5-127.3 140.0 21.8 -11.6 19.6 107 110 A T E -AF 14 91A 4 -16,-2.9 -16,-1.5 -2,-0.4 2,-0.4 -0.897 4.0-166.8-117.7 149.2 22.2 -14.1 16.8 108 111 A F E +AF 13 90A 4 -95,-2.2 -95,-2.3 -2,-0.3 2,-0.4 -1.000 7.3 175.9-136.9 130.9 25.0 -16.6 16.1 109 112 A E E - F 0 89A 34 -20,-1.9 -20,-2.9 -2,-0.4 2,-0.4 -0.990 29.9-126.5-139.3 129.4 25.7 -18.6 13.0 110 113 A D E - F 0 88A 23 -2,-0.4 3,-0.4 -22,-0.2 -22,-0.2 -0.608 16.1-165.6 -74.4 122.2 28.6 -20.9 12.4 111 114 A L S S+ 0 0 76 -24,-2.7 -23,-0.2 -2,-0.4 -1,-0.1 0.555 81.7 65.0 -84.8 -8.9 30.4 -19.9 9.1 112 115 A S 0 0 81 -25,-0.6 -1,-0.2 0, 0.0 -24,-0.1 0.718 360.0 360.0 -84.3 -18.7 32.4 -23.2 8.9 113 116 A A 0 0 119 -3,-0.4 -4,-0.0 0, 0.0 0, 0.0 0.180 360.0 360.0 -96.7 360.0 29.3 -25.4 8.4 114 !* 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 0.0 115 4 B I 0 0 64 0, 0.0 2,-0.1 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0 124.3 13.0 -9.0 26.7 116 5 B D > - 0 0 95 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.371 360.0 -99.7 -87.0 174.4 10.1 -11.4 26.2 117 6 B Y H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.872 122.0 50.1 -65.2 -37.4 9.8 -13.7 23.1 118 7 B K H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 113.1 46.7 -63.9 -49.5 7.3 -11.4 21.3 119 8 B T H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 110.6 52.8 -58.3 -43.8 9.6 -8.4 21.8 120 9 B A H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.944 108.0 51.4 -58.4 -46.8 12.7 -10.4 20.7 121 10 B F H < S+ 0 0 11 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.933 115.9 40.6 -54.7 -50.1 10.9 -11.4 17.5 122 11 B H H < S+ 0 0 54 -4,-2.1 19,-0.5 1,-0.2 20,-0.2 0.750 117.7 47.0 -72.8 -24.1 10.1 -7.8 16.7 123 12 B L H < S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.614 81.4 127.6 -88.1 -19.6 13.4 -6.3 17.8 124 13 B A < - 0 0 3 -4,-1.7 18,-0.3 -3,-0.3 4,-0.1 -0.088 60.7-137.0 -53.6 138.5 15.6 -8.9 16.0 125 14 B P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.342 86.5 60.9 -78.9 1.6 18.3 -7.4 13.7 126 15 B I S S- 0 0 7 -35,-0.1 17,-0.3 97,-0.1 16,-0.3 -0.924 98.7 -93.3-123.6 156.9 17.5 -9.9 11.0 127 16 B G E -G 222 0B 0 95,-2.1 95,-2.2 -2,-0.3 2,-0.4 -0.470 44.6-169.2 -68.9 131.2 14.3 -10.6 9.1 128 17 B L E -G 221 0B 15 93,-0.2 12,-1.4 -2,-0.2 2,-0.4 -0.973 7.2-173.5-125.3 146.6 12.2 -13.3 10.7 129 18 B V E -GH 220 139B 0 91,-2.4 91,-2.5 -2,-0.4 2,-0.6 -1.000 20.3-153.7-137.8 133.9 9.1 -15.1 9.4 130 19 B L E -GH 219 138B 13 8,-2.3 7,-2.6 -2,-0.4 8,-1.6 -0.960 38.7-172.3 -96.5 116.1 6.7 -17.6 11.0 131 20 B S E -GH 218 136B 6 87,-2.8 87,-1.2 -2,-0.6 2,-0.3 -0.624 27.0-171.8-111.2 167.0 5.4 -19.4 7.9 132 21 B R E > S- H 0 135B 122 3,-1.8 3,-1.7 85,-0.2 84,-0.2 -0.834 80.2 -13.1-156.7 125.0 2.9 -22.0 6.9 133 22 B D T 3 S- 0 0 103 -2,-0.3 83,-0.2 1,-0.3 3,-0.1 0.844 128.1 -54.8 47.5 44.0 2.7 -23.6 3.4 134 23 B R T 3 S+ 0 0 35 81,-0.6 25,-3.1 82,-0.4 2,-0.4 0.691 113.3 120.7 66.3 21.2 5.2 -21.0 2.0 135 24 B V E < -HI 132 158B 40 -3,-1.7 -3,-1.8 23,-0.3 2,-0.7 -0.933 69.3-119.3-110.5 140.1 3.0 -18.2 3.2 136 25 B I E +H 131 0B 0 21,-2.8 20,-3.3 -2,-0.4 21,-0.4 -0.690 33.6 173.1 -78.0 112.0 4.2 -15.5 5.7 137 26 B E E S- 0 0 71 -7,-2.6 2,-0.3 -2,-0.7 -6,-0.2 0.774 70.8 -1.2 -90.2 -29.9 1.9 -15.7 8.7 138 27 B D E +H 130 0B 23 -8,-1.6 -8,-2.3 16,-0.1 -1,-0.4 -0.979 68.3 170.2-154.0 153.3 3.9 -13.3 10.8 139 28 B C E -H 129 0B 0 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.973 25.6-112.7-156.3 167.9 7.1 -11.3 10.3 140 29 B N > - 0 0 0 -12,-1.4 4,-1.5 -2,-0.3 3,-0.4 -0.530 34.3-101.3-102.5 174.8 9.1 -8.5 11.9 141 30 B D H > S+ 0 0 105 -19,-0.5 4,-2.4 1,-0.2 5,-0.1 0.822 118.0 61.5 -63.7 -34.1 10.0 -4.9 10.9 142 31 B E H > S+ 0 0 51 -18,-0.3 4,-2.7 -16,-0.3 -15,-0.3 0.899 101.9 51.0 -61.4 -41.1 13.5 -6.0 9.7 143 32 B L H > S+ 0 0 0 -3,-0.4 4,-2.2 -17,-0.3 -1,-0.2 0.931 110.6 49.7 -59.0 -45.5 11.9 -8.3 7.0 144 33 B A H <>S+ 0 0 6 -4,-1.5 5,-2.3 1,-0.2 4,-0.3 0.894 110.5 51.1 -55.8 -43.8 9.8 -5.3 5.9 145 34 B A H ><5S+ 0 0 49 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.937 108.6 50.3 -61.8 -47.4 12.9 -3.2 5.8 146 35 B I H 3<5S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.911 116.3 41.3 -59.2 -43.6 14.8 -5.7 3.6 147 36 B F T 3<5S- 0 0 2 -4,-2.2 48,-2.5 -5,-0.2 -1,-0.3 0.318 109.2-123.3 -91.7 10.3 12.0 -6.0 1.1 148 37 B R T < 5S+ 0 0 136 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.865 75.6 91.2 51.1 49.3 11.2 -2.2 1.2 149 38 B C S > - 0 0 50 -2,-0.2 3,-1.2 -3,-0.1 4,-0.7 -0.676 35.4-117.6 -93.2 155.4 5.3 -2.5 5.2 151 40 B R H >> S+ 0 0 79 1,-0.3 4,-2.0 -2,-0.3 3,-1.6 0.903 117.7 61.8 -54.5 -40.5 4.7 -5.5 7.5 152 41 B A H 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.784 97.8 57.6 -55.8 -30.7 1.1 -5.3 6.4 153 42 B D H <4 S+ 0 0 74 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.733 112.6 40.4 -70.8 -21.6 2.3 -5.9 2.8 154 43 B L H X< S+ 0 0 5 -3,-1.6 3,-2.4 -4,-0.7 2,-0.3 0.717 84.9 103.2-102.5 -28.2 3.9 -9.2 3.8 155 44 B I T 3< S+ 0 0 69 -4,-2.0 -18,-0.2 1,-0.3 3,-0.1 -0.443 100.0 6.6 -63.3 119.4 1.4 -10.7 6.2 156 45 B G T 3 S+ 0 0 51 -20,-3.3 2,-0.4 -2,-0.3 -1,-0.3 0.622 100.4 136.0 82.0 13.9 -0.5 -13.4 4.3 157 46 B R < - 0 0 111 -3,-2.4 -21,-2.8 -21,-0.4 -1,-0.3 -0.798 58.8-118.6 -92.2 133.1 1.8 -13.1 1.3 158 47 B S B > -I 135 0B 36 -2,-0.4 3,-1.4 -23,-0.2 -23,-0.3 -0.446 21.9-124.0 -57.9 138.3 3.2 -16.1 -0.5 159 48 B F G >> S+ 0 0 11 -25,-3.1 3,-2.4 1,-0.2 4,-0.5 0.754 101.8 86.5 -51.0 -24.9 7.0 -16.2 -0.4 160 49 B E G >4 S+ 0 0 78 -26,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.818 79.8 59.2 -49.5 -34.7 6.7 -16.4 -4.2 161 50 B V G <4 S+ 0 0 64 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.669 98.6 58.2 -70.6 -16.8 6.6 -12.6 -4.4 162 51 B L G <4 S+ 0 0 6 -3,-2.4 31,-3.0 -4,-0.2 -1,-0.2 0.559 93.0 86.2 -90.2 -13.3 10.0 -12.3 -2.7 163 52 B Y S << S- 0 0 10 -3,-1.1 29,-0.2 -4,-0.5 3,-0.1 -0.542 90.1-115.4 -87.1 157.4 11.6 -14.4 -5.5 164 53 B P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.814 94.5 -10.1 -60.0 -31.3 13.0 -13.0 -8.7 165 54 B S S > S- 0 0 51 1,-0.1 4,-2.1 -5,-0.1 5,-0.1 -0.977 70.6-100.8-158.6 166.3 10.3 -15.0 -10.5 166 55 B S H > S+ 0 0 66 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.873 121.5 55.8 -56.7 -41.6 7.7 -17.8 -10.2 167 56 B D H > S+ 0 0 128 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.871 106.7 49.6 -61.4 -39.4 10.2 -20.2 -11.7 168 57 B E H > S+ 0 0 51 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.916 108.9 51.4 -65.6 -44.8 12.8 -19.4 -9.0 169 58 B F H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.931 114.7 44.7 -57.1 -44.2 10.3 -19.8 -6.2 170 59 B E H X S+ 0 0 44 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.932 115.0 47.6 -65.8 -46.0 9.4 -23.3 -7.7 171 60 B R H X S+ 0 0 138 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.924 113.1 45.1 -63.7 -50.0 13.1 -24.2 -8.3 172 61 B I H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.843 109.0 58.1 -68.9 -32.4 14.4 -23.3 -4.9 173 62 B G H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.908 105.5 49.9 -57.4 -44.0 11.4 -25.0 -3.2 174 63 B E H < S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.734 113.0 48.2 -68.2 -20.2 12.5 -28.2 -4.9 175 64 B R H X S+ 0 0 43 -4,-1.0 4,-0.8 -3,-0.2 -2,-0.2 0.815 110.5 51.2 -83.9 -35.1 16.0 -27.6 -3.6 176 65 B I H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.1 5,-0.3 0.928 98.8 64.9 -67.2 -49.5 14.7 -26.9 -0.0 177 66 B S H X S+ 0 0 29 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.876 105.0 37.9 -48.1 -60.1 12.6 -30.0 0.5 178 67 B P H > S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.849 118.0 50.1 -69.0 -31.3 15.2 -32.8 0.4 179 68 B V H X S+ 0 0 57 -4,-0.8 4,-2.4 2,-0.2 6,-0.4 0.932 114.1 46.1 -64.6 -45.7 17.8 -30.9 2.3 180 69 B X H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.888 115.3 45.6 -65.8 -40.8 15.2 -30.0 5.0 181 70 B I H < S+ 0 0 69 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.954 117.2 44.4 -65.0 -48.9 13.9 -33.5 5.2 182 71 B A H < S+ 0 0 61 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.834 130.9 20.3 -66.4 -36.5 17.4 -35.1 5.3 183 72 B H H < S- 0 0 142 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.614 92.2-125.4-113.7 -17.7 19.0 -32.6 7.8 184 73 B G S < S+ 0 0 14 -4,-2.2 2,-0.3 -5,-0.4 24,-0.2 0.457 86.6 53.6 83.5 0.6 16.1 -31.0 9.7 185 74 B S - 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