==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-OCT-06 2NNL . COMPND 2 MOLECULE: DIHYDROFLAVONOL 4-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VITIS VINIFERA; . AUTHOR P.PETIT,B.LANGLOIS D'ESTAINTOT,T.GRANIER,B.GALLOIS . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 46 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 10 0 4 2 2 0 0 2 2 2 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 6 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 6 D E 0 0 86 0, 0.0 25,-3.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 170.2 96.2 50.0 23.3 2 7 D T E +a 26 0A 34 70,-0.2 72,-3.1 23,-0.2 73,-0.9 -0.882 360.0 176.6-111.1 117.9 92.6 50.3 22.2 3 8 D V E -ab 27 75A 0 23,-2.8 25,-2.9 -2,-0.6 2,-0.5 -0.876 22.7-135.8-120.3 151.2 89.9 51.9 24.5 4 9 D C E -ab 28 76A 0 71,-2.1 73,-3.2 -2,-0.3 2,-0.5 -0.894 14.3-167.1-103.0 129.0 86.2 52.7 24.1 5 10 D V E > -ab 29 77A 0 23,-2.6 25,-2.6 -2,-0.5 3,-0.5 -0.965 9.8-154.1-114.4 116.0 84.9 56.0 25.3 6 11 D T T 3 S+ 0 0 0 71,-2.8 73,-0.4 -2,-0.5 25,-0.1 -0.569 78.6 22.9 -82.3 153.7 81.1 56.2 25.5 7 12 D G T > S+ 0 0 17 -2,-0.2 3,-1.5 72,-0.2 6,-0.4 0.853 74.3 163.6 61.1 38.9 79.4 59.7 25.2 8 13 D A T < + 0 0 0 22,-1.7 9,-0.2 -3,-0.5 23,-0.1 0.567 63.6 63.3 -67.6 -12.9 82.5 61.0 23.4 9 14 D S T 3 S+ 0 0 14 21,-0.4 -1,-0.3 4,-0.1 22,-0.1 0.670 90.6 90.6 -84.6 -17.3 80.7 64.1 22.0 10 15 D G S <> S- 0 0 25 -3,-1.5 4,-3.0 184,-0.1 5,-0.4 -0.059 93.4 -89.6 -79.1 174.8 80.0 65.5 25.5 11 16 D F H > S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 182,-0.3 0.920 125.3 22.8 -44.1 -62.9 81.8 67.9 27.9 12 17 D I H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 121.6 58.7 -76.9 -45.5 83.9 65.2 29.7 13 18 D G H > S+ 0 0 1 -6,-0.4 4,-1.8 1,-0.2 -5,-0.2 0.879 106.9 45.2 -53.3 -47.2 83.8 62.6 27.0 14 19 D S H X S+ 0 0 0 -4,-3.0 4,-2.0 -7,-0.2 -1,-0.2 0.858 113.2 49.3 -71.5 -36.5 85.4 64.8 24.3 15 20 D W H X S+ 0 0 25 -4,-0.9 4,-2.5 -5,-0.4 -1,-0.2 0.858 110.5 52.0 -67.4 -40.0 88.2 66.1 26.6 16 21 D L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 107.8 50.9 -60.9 -44.3 89.0 62.6 27.6 17 22 D V H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.924 110.3 50.8 -59.9 -45.3 89.2 61.4 24.0 18 23 D M H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.943 113.0 44.3 -54.5 -52.7 91.6 64.3 23.4 19 24 D R H X S+ 0 0 53 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.846 113.6 51.6 -64.4 -35.2 93.8 63.3 26.4 20 25 D L H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.4 0.928 111.4 45.3 -67.4 -46.1 93.7 59.7 25.4 21 26 D L H ><5S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.892 110.9 55.5 -64.1 -40.0 94.7 60.3 21.8 22 27 D E H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 105.2 53.3 -57.2 -32.0 97.5 62.6 23.1 23 28 D R T 3<5S- 0 0 153 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.416 125.6 -99.8 -88.4 -2.3 98.7 59.7 25.3 24 29 D G T < 5S+ 0 0 34 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.523 73.3 143.9 99.0 6.4 99.0 57.3 22.3 25 30 D Y < - 0 0 11 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.3 -0.400 52.0-127.3 -72.6 151.7 95.8 55.4 22.8 26 31 D T E -a 2 0A 49 -25,-3.1 -23,-2.8 -2,-0.1 2,-0.5 -0.922 35.9-154.6 -93.8 124.5 93.7 54.1 19.9 27 32 D V E -ac 3 53A 0 25,-2.8 27,-2.0 -2,-0.6 2,-0.6 -0.888 22.1-164.6-112.0 130.2 90.2 55.4 20.7 28 33 D R E -ac 4 54A 48 -25,-2.9 -23,-2.6 -2,-0.5 2,-0.5 -0.957 21.9-163.5-103.9 112.1 86.8 54.0 19.8 29 34 D A E -ac 5 55A 0 25,-2.8 27,-2.3 -2,-0.6 2,-0.3 -0.821 3.5-150.4-101.9 127.1 84.4 56.9 20.5 30 35 D T E + c 0 56A 3 -25,-2.6 -22,-1.7 -2,-0.5 -21,-0.4 -0.733 19.6 168.0 -97.7 147.7 80.6 56.2 20.7 31 36 D V E - c 0 57A 7 25,-2.4 27,-2.0 -2,-0.3 9,-0.0 -0.967 38.1-131.2-146.4 154.4 77.9 58.8 19.8 32 37 D R S S+ 0 0 158 -2,-0.3 -1,-0.1 1,-0.3 25,-0.1 0.817 101.0 25.2 -73.6 -34.7 74.1 58.5 19.2 33 38 D D > - 0 0 68 1,-0.1 3,-1.2 3,-0.1 -1,-0.3 -0.830 57.6-179.6-139.0 99.3 74.2 60.4 16.0 34 39 D P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.585 82.1 66.6 -72.2 -11.2 77.4 60.5 13.8 35 40 D T T 3 S+ 0 0 116 4,-0.0 2,-0.9 5,-0.0 5,-0.0 0.537 74.3 104.0 -85.0 -5.8 75.7 62.7 11.1 36 41 D N X> - 0 0 64 -3,-1.2 4,-1.1 1,-0.2 3,-0.7 -0.687 56.7-165.0 -80.8 109.3 75.5 65.5 13.6 37 42 D V H 3> S+ 0 0 101 -2,-0.9 4,-2.0 1,-0.2 5,-0.3 0.808 86.1 54.2 -64.9 -36.6 78.3 67.9 12.6 38 43 D K H 34 S+ 0 0 53 1,-0.2 157,-0.6 2,-0.2 -1,-0.2 0.700 112.3 46.2 -69.8 -21.4 78.3 70.0 15.9 39 44 D K H <4 S+ 0 0 78 -3,-0.7 -2,-0.2 -6,-0.2 -1,-0.2 0.688 124.1 28.0 -91.0 -24.3 78.7 66.7 17.8 40 45 D V H X S+ 0 0 13 -4,-1.1 4,-2.1 2,-0.1 3,-0.4 0.650 98.2 76.9-116.8 -22.7 81.5 65.1 15.7 41 46 D K H X S+ 0 0 109 -4,-2.0 4,-2.0 1,-0.2 5,-0.1 0.904 95.8 53.4 -61.6 -41.0 83.6 67.9 14.1 42 47 D H H 4 S+ 0 0 24 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.790 110.8 47.1 -65.6 -27.5 85.4 68.7 17.4 43 48 D L H >4 S+ 0 0 0 -3,-0.4 3,-1.0 2,-0.1 -1,-0.2 0.863 112.3 48.9 -74.9 -40.2 86.4 65.0 17.7 44 49 D L H 3< S+ 0 0 92 -4,-2.1 6,-0.2 1,-0.3 -2,-0.2 0.775 105.1 58.3 -74.6 -28.6 87.6 64.7 14.1 45 50 D D T 3< S+ 0 0 105 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.437 83.3 114.2 -78.0 -1.1 89.7 67.9 14.3 46 51 D L S X S- 0 0 14 -3,-1.0 3,-2.1 -5,-0.1 4,-0.3 -0.451 82.4 -97.8 -71.9 141.4 91.6 66.3 17.2 47 52 D P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.472 112.6 18.6 -61.3 126.8 95.3 65.6 16.6 48 53 D K T 3> S+ 0 0 87 -2,-0.2 4,-3.3 -4,-0.1 3,-0.3 0.312 88.4 122.6 92.4 1.3 95.6 61.9 15.7 49 54 D A H <> + 0 0 6 -3,-2.1 4,-1.8 1,-0.2 -4,-0.1 0.899 67.3 54.9 -57.3 -48.5 91.9 61.6 14.8 50 55 D E H 4 S+ 0 0 205 -4,-0.3 -1,-0.2 -6,-0.2 -5,-0.0 0.845 124.6 24.1 -56.7 -38.1 92.5 60.4 11.2 51 56 D T H 4 S+ 0 0 114 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.760 133.2 30.8 -98.9 -32.6 94.7 57.5 12.3 52 57 D H H < S+ 0 0 50 -4,-3.3 -25,-2.8 -26,-0.1 2,-0.4 0.387 101.8 74.5-116.2 1.0 93.7 56.7 15.9 53 58 D L E < +c 27 0A 17 -4,-1.8 2,-0.3 -5,-0.3 -25,-0.2 -0.971 47.3 177.5-122.7 128.6 90.0 57.6 16.3 54 59 D T E -c 28 0A 70 -27,-2.0 -25,-2.8 -2,-0.4 2,-0.4 -0.924 21.3-135.4-119.3 154.7 87.0 55.7 15.0 55 60 D L E -c 29 0A 57 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.899 16.9-169.3-110.5 141.1 83.3 56.6 15.6 56 61 D W E -c 30 0A 76 -27,-2.3 -25,-2.4 -2,-0.4 2,-0.5 -0.993 20.2-130.7-132.8 133.8 80.6 54.1 16.6 57 62 D K E +c 31 0A 140 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.751 44.4 148.3 -85.2 125.4 76.8 54.6 16.7 58 63 D A - 0 0 8 -27,-2.0 2,-0.3 -2,-0.5 8,-0.1 -0.985 28.5-163.8-160.1 147.7 75.3 53.5 20.0 59 64 D D > - 0 0 50 -2,-0.3 3,-1.4 3,-0.2 6,-0.3 -0.999 23.9-137.8-137.7 136.3 72.4 54.3 22.3 60 65 D L T 3 S+ 0 0 20 -2,-0.3 44,-0.1 1,-0.3 4,-0.1 0.757 105.4 62.4 -63.4 -26.3 71.9 53.2 26.0 61 66 D A T 3 S+ 0 0 68 2,-0.1 2,-0.6 39,-0.1 -1,-0.3 0.684 91.3 78.4 -68.9 -22.5 68.3 52.6 25.2 62 67 D D S X S- 0 0 97 -3,-1.4 3,-1.5 35,-0.0 -3,-0.2 -0.826 85.4-124.3 -99.3 122.2 69.2 49.9 22.6 63 68 D E T 3 S+ 0 0 109 -2,-0.6 -2,-0.1 1,-0.3 38,-0.1 -0.393 90.9 2.2 -63.9 130.1 70.1 46.5 24.0 64 69 D G T > S+ 0 0 36 -2,-0.1 3,-1.6 -4,-0.1 4,-0.3 0.489 85.9 131.2 75.3 6.1 73.5 45.3 22.8 65 70 D S T < S+ 0 0 34 -3,-1.5 4,-0.3 -6,-0.3 3,-0.2 0.648 71.9 51.3 -68.9 -13.8 74.3 48.5 20.9 66 71 D F T 3> S+ 0 0 8 -4,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.405 82.7 98.7 -99.6 0.1 77.8 48.8 22.4 67 72 D D H <> S+ 0 0 80 -3,-1.6 4,-1.7 1,-0.2 -1,-0.1 0.868 84.2 42.1 -52.6 -48.3 78.7 45.2 21.6 68 73 D E H 4 S+ 0 0 61 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.897 113.7 50.4 -74.9 -41.9 80.7 46.0 18.4 69 74 D A H 4 S+ 0 0 2 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.9 46.2 -60.2 -38.4 82.6 49.0 19.8 70 75 D I H >< S+ 0 0 0 -4,-2.1 3,-2.1 2,-0.1 -2,-0.2 0.829 85.8 98.1 -81.1 -34.1 83.7 47.1 22.9 71 76 D K T 3< S+ 0 0 150 -4,-1.7 3,-0.1 1,-0.3 42,-0.1 -0.378 95.5 17.4 -55.3 119.9 84.9 43.9 21.3 72 77 D G T 3 S+ 0 0 36 1,-0.4 -1,-0.3 40,-0.2 -70,-0.2 0.164 95.6 124.9 101.3 -18.3 88.7 44.1 21.0 73 78 D C < - 0 0 0 -3,-2.1 -1,-0.4 1,-0.1 -70,-0.2 -0.457 52.0-153.5 -75.0 148.0 89.2 47.0 23.5 74 79 D T S S+ 0 0 35 -72,-3.1 42,-2.4 1,-0.2 43,-0.6 0.526 81.5 11.7 -96.9 -9.4 91.5 46.6 26.4 75 80 D G E -bd 3 117A 0 -73,-0.9 -71,-2.1 40,-0.2 2,-0.4 -0.983 63.2-148.2-161.8 157.9 89.5 49.1 28.5 76 81 D V E -bd 4 118A 0 41,-1.7 43,-3.1 -2,-0.3 2,-0.6 -0.999 1.5-160.8-136.2 131.0 86.2 51.0 28.5 77 82 D F E -bd 5 119A 0 -73,-3.2 -71,-2.8 -2,-0.4 2,-1.0 -0.953 11.2-159.0-107.2 107.5 85.3 54.4 29.9 78 83 D H E + d 0 120A 3 41,-2.1 43,-2.3 -2,-0.6 -71,-0.1 -0.784 36.3 142.6 -86.9 101.1 81.5 54.6 30.3 79 84 D V + 0 0 21 -2,-1.0 -72,-0.2 -73,-0.4 -1,-0.2 0.601 34.9 105.2-113.4 -22.5 80.9 58.4 30.4 80 85 D A + 0 0 18 -3,-0.2 41,-0.1 -67,-0.1 -73,-0.1 -0.307 39.9 155.2 -68.8 145.3 77.6 58.6 28.5 81 86 D T - 0 0 31 -74,-0.0 2,-0.3 20,-0.0 17,-0.0 -0.924 50.0 -96.8-166.8 142.3 74.4 59.3 30.3 82 87 D P - 0 0 33 0, 0.0 79,-0.1 0, 0.0 16,-0.0 -0.533 38.4-173.0 -55.3 118.3 70.8 60.8 29.8 83 88 D M + 0 0 69 -2,-0.3 2,-0.6 2,-0.0 75,-0.1 0.248 33.8 127.5-110.7 11.4 71.1 64.4 31.0 84 89 D D + 0 0 88 1,-0.2 3,-0.4 9,-0.2 73,-0.0 -0.602 26.9 177.2 -77.5 115.8 67.5 65.8 31.0 85 90 D F S S+ 0 0 44 -2,-0.6 70,-0.3 1,-0.2 72,-0.2 0.661 79.6 53.3 -84.4 -19.9 66.6 67.4 34.3 86 91 D E S S+ 0 0 141 68,-0.1 -1,-0.2 69,-0.1 2,-0.2 -0.033 75.1 148.8-111.2 29.5 63.1 68.5 33.1 87 92 D S - 0 0 16 -3,-0.4 70,-0.1 1,-0.1 7,-0.0 -0.418 40.4-153.6 -70.9 135.0 61.8 65.1 31.7 88 93 D K S S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.671 96.4 42.7 -82.9 -18.4 58.0 64.5 31.9 89 94 D D S > S+ 0 0 65 1,-0.1 4,-2.5 2,-0.0 3,-0.4 -0.624 70.1 167.4-124.5 75.5 58.6 60.8 32.0 90 95 D P H >>S+ 0 0 28 0, 0.0 5,-2.5 0, 0.0 4,-1.3 0.815 70.8 55.0 -58.0 -40.4 61.6 60.3 34.4 91 96 D E H 4>S+ 0 0 75 3,-0.2 5,-2.3 4,-0.2 -2,-0.0 0.891 120.6 26.1 -65.1 -42.4 61.3 56.6 34.9 92 97 D N H 45S+ 0 0 83 -3,-0.4 -1,-0.2 3,-0.2 0, 0.0 0.825 124.6 44.5 -92.5 -35.8 61.5 55.6 31.2 93 98 D E H <5S+ 0 0 112 -4,-2.5 -9,-0.2 3,-0.1 -2,-0.1 0.692 134.0 4.5 -84.7 -21.1 63.4 58.4 29.6 94 99 D V T X5S+ 0 0 2 -4,-1.3 4,-1.6 -5,-0.4 -3,-0.2 0.652 125.6 45.1-126.6 -64.5 66.2 58.8 32.2 95 100 D I H > S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.812 110.1 57.5 -62.2 -30.3 68.1 53.5 30.2 98 103 D T H X S+ 0 0 3 -4,-1.6 4,-1.9 3,-0.2 -2,-0.2 0.945 114.3 36.6 -62.2 -49.2 70.8 54.7 32.6 99 104 D I H X S+ 0 0 35 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.916 122.8 41.9 -69.1 -48.4 70.7 51.4 34.6 100 105 D E H X S+ 0 0 91 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.877 114.0 52.6 -72.1 -36.3 70.1 49.0 31.7 101 106 D G H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.962 111.4 48.1 -56.9 -51.7 72.6 50.9 29.5 102 107 D M H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.928 114.9 43.2 -53.0 -52.9 75.1 50.5 32.3 103 108 D L H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 111.9 56.0 -65.5 -38.6 74.4 46.8 32.8 104 109 D G H X S+ 0 0 18 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.888 107.0 48.6 -56.3 -44.0 74.3 46.3 29.0 105 110 D I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.876 109.5 52.8 -66.1 -36.3 77.8 47.8 28.7 106 111 D M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.871 113.3 43.6 -67.0 -37.8 79.1 45.5 31.6 107 112 D K H X S+ 0 0 116 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.917 109.9 55.4 -69.5 -44.7 77.7 42.5 29.7 108 113 D S H X S+ 0 0 5 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.868 111.3 47.4 -52.5 -38.3 79.1 43.9 26.4 109 114 D C H >X S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 3,-0.5 0.920 110.1 49.4 -67.6 -50.7 82.4 43.9 28.2 110 115 D A H 3< S+ 0 0 44 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.912 111.8 50.2 -55.7 -45.3 82.1 40.3 29.6 111 116 D A H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 104.6 59.4 -64.3 -25.8 81.2 39.1 26.1 112 117 D A H << S- 0 0 13 -4,-0.8 -40,-0.2 -3,-0.5 -1,-0.2 0.856 79.9-163.6 -73.4 -38.1 84.3 40.8 24.6 113 118 D K S < S+ 0 0 186 -4,-1.4 -1,-0.1 -3,-0.3 -3,-0.1 0.190 73.4 79.6 72.9 -13.9 86.8 38.9 26.8 114 119 D T + 0 0 62 -5,-0.2 2,-0.5 -44,-0.1 -1,-0.1 0.640 61.4 103.8 -95.0 -19.4 89.5 41.6 25.9 115 120 D V - 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