==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-09 3FVD . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ROSEOVARIUS NUBINHIBENS ISM; . AUTHOR V.N.MALASHKEVICH,M.RUTTER,K.T.BAIN,C.LAU,S.OZYURT,D.SMITH, . 728 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 8.7 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 . 3 0.4 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 0 0 2 1 3 2 2 3 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 1 4 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 PARALLEL BRIDGES PER LADDER . 3 2 0 2 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 0 B S 0 0 113 0, 0.0 39,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.7 -14.4 -14.4 17.2 2 1 B L - 0 0 4 37,-0.1 2,-0.3 38,-0.1 79,-0.1 -0.298 360.0-174.2 -47.8 141.3 -12.7 -14.1 20.7 3 2 B R - 0 0 110 76,-0.2 37,-1.8 77,-0.1 2,-0.3 -0.991 31.0-110.4-149.7 134.3 -9.0 -14.0 20.2 4 3 B I E +A 39 0A 0 74,-1.8 73,-2.2 71,-0.4 35,-0.3 -0.577 36.6 175.6 -68.9 135.7 -5.9 -14.1 22.5 5 4 B T E + 0 0 43 33,-2.8 363,-1.0 1,-0.4 2,-0.3 0.637 55.9 4.7-123.9 -28.1 -4.4 -10.7 22.3 6 5 B R E -AB 38 367A 88 32,-1.1 32,-2.4 361,-0.2 -1,-0.4 -0.972 50.3-154.6-163.9 145.3 -1.5 -10.6 24.8 7 6 B L E -AB 37 366A 0 359,-2.5 359,-2.3 -2,-0.3 2,-0.4 -0.998 14.8-167.9-123.8 130.2 0.3 -12.9 27.1 8 7 B T E -AB 36 365A 2 28,-2.8 28,-2.8 -2,-0.4 2,-0.4 -0.975 6.0-153.5-123.9 135.4 2.1 -11.4 30.1 9 8 B V E -AB 35 364A 1 355,-2.9 354,-2.0 -2,-0.4 355,-1.2 -0.869 8.8-171.9-113.9 131.9 4.5 -13.3 32.3 10 9 B F E -A 34 0A 2 24,-3.0 24,-2.0 -2,-0.4 2,-0.6 -0.965 11.7-151.9-122.2 143.3 5.4 -12.7 36.0 11 10 B H E -A 33 0A 68 -2,-0.4 2,-0.5 350,-0.4 22,-0.2 -0.955 14.0-167.4-115.4 119.5 8.1 -14.3 38.0 12 11 B L E -A 32 0A 11 20,-3.0 20,-2.6 -2,-0.6 2,-0.8 -0.942 14.8-148.4-114.4 130.3 7.3 -14.4 41.8 13 12 B D E -A 31 0A 91 -2,-0.5 18,-0.2 18,-0.2 -2,-0.0 -0.850 22.8-166.2 -94.8 101.2 10.0 -15.3 44.3 14 13 B L E -A 30 0A 5 16,-2.8 16,-3.2 -2,-0.8 2,-0.2 -0.814 9.3-145.3-101.2 112.9 8.0 -17.1 47.0 15 14 B P E -A 29 0A 20 0, 0.0 311,-3.2 0, 0.0 312,-0.6 -0.546 17.5-128.1 -75.9 143.3 9.7 -17.7 50.3 16 15 B L E -D 325 0B 12 12,-2.9 309,-0.3 309,-0.3 308,-0.1 -0.531 6.7-134.2 -80.3 154.7 8.9 -20.9 52.1 17 16 B A E S+ 0 0 59 307,-2.7 308,-0.1 1,-0.3 -1,-0.1 0.857 100.2 34.5 -72.2 -38.9 7.7 -20.9 55.8 18 17 B K E S- 0 0 165 306,-0.5 -1,-0.3 9,-0.0 9,-0.0 -0.792 75.8-161.3-122.7 86.5 10.1 -23.7 56.6 19 18 B P E - 0 0 57 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.303 13.3-158.3 -54.2 148.9 13.4 -23.8 54.7 20 19 B Y E -A 27 0A 99 7,-1.3 7,-2.2 0, 0.0 2,-0.3 -0.970 14.4-117.1-129.2 154.0 14.9 -27.3 54.9 21 20 B W E -A 26 0A 202 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.650 26.5-156.2 -97.0 147.2 18.6 -28.1 54.4 22 21 B L 0 0 87 3,-2.1 -1,-0.0 -2,-0.3 0, 0.0 -0.857 360.0 360.0-124.8 153.1 20.0 -30.3 51.6 23 22 B S 0 0 154 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.528 360.0 360.0 -97.0 360.0 23.1 -32.5 50.9 24 ! 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 25 26 B L 0 0 114 0, 0.0 -3,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 115.7 21.8 -25.9 49.5 26 27 B K E -A 21 0A 132 -5,-0.2 2,-1.0 -7,-0.0 -5,-0.2 -0.990 360.0-143.0-107.1 113.7 19.2 -24.1 51.6 27 28 B F E +A 20 0A 32 -7,-2.2 -7,-1.3 -2,-0.6 3,-0.1 -0.734 44.6 150.4 -81.6 106.7 15.9 -24.9 49.9 28 29 B D E + 0 0 57 -2,-1.0 -12,-2.9 1,-0.2 2,-0.3 0.710 44.0 13.9-115.9 -45.9 14.4 -21.5 50.6 29 30 B R E -A 15 0A 108 -14,-0.3 2,-0.3 -3,-0.2 -1,-0.2 -0.967 59.9-118.9-150.4 154.7 12.0 -20.3 48.0 30 31 B L E -A 14 0A 3 -16,-3.2 -16,-2.8 -2,-0.3 2,-0.7 -0.777 18.5-138.1-101.3 147.1 9.8 -21.3 45.2 31 32 B D E -A 13 0A 38 20,-0.4 2,-0.4 -2,-0.3 -18,-0.2 -0.920 32.9-178.6-101.9 106.9 10.0 -19.9 41.6 32 33 B S E -A 12 0A 0 -20,-2.6 -20,-3.0 -2,-0.7 2,-0.5 -0.851 17.8-151.1-113.2 143.2 6.5 -19.4 40.5 33 34 B T E -AC 11 49A 0 16,-2.4 16,-2.5 -2,-0.4 2,-0.4 -0.966 5.3-165.4-113.5 125.6 5.2 -18.1 37.2 34 35 B Y E -AC 10 48A 0 -24,-2.0 -24,-3.0 -2,-0.5 2,-0.4 -0.924 10.6-162.7-101.0 136.1 1.9 -16.2 36.9 35 36 B L E -AC 9 47A 0 12,-2.7 12,-2.0 -2,-0.4 2,-0.5 -0.967 4.9-160.5-119.8 134.1 0.6 -15.8 33.3 36 37 B R E -AC 8 46A 38 -28,-2.8 -28,-2.8 -2,-0.4 2,-0.5 -0.969 4.1-165.2-113.3 126.9 -2.0 -13.3 32.3 37 38 B I E -AC 7 45A 0 8,-2.9 8,-2.5 -2,-0.5 2,-0.3 -0.959 6.4-168.6-108.5 117.7 -3.9 -13.9 29.0 38 39 B D E -A 6 0A 20 -32,-2.4 -33,-2.8 -2,-0.5 -32,-1.1 -0.705 3.6-159.2 -95.5 153.2 -5.9 -11.0 27.6 39 40 B T E > -A 4 0A 7 4,-0.4 3,-1.7 -2,-0.3 -35,-0.2 -0.835 33.4-102.6-125.6 173.3 -8.4 -11.2 24.7 40 41 B D T 3 S+ 0 0 64 -37,-1.8 -36,-0.1 1,-0.3 -38,-0.1 0.603 119.7 53.6 -68.4 -16.3 -9.9 -8.7 22.2 41 42 B E T 3 S- 0 0 113 -38,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.164 120.4-105.3-105.0 15.1 -13.1 -8.5 24.2 42 43 B G S < S+ 0 0 64 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.680 73.7 139.5 73.7 17.9 -11.4 -7.6 27.4 43 44 B V - 0 0 24 2,-0.0 -4,-0.4 72,-0.0 2,-0.4 -0.876 32.5-168.5 -96.8 122.7 -11.8 -11.0 29.1 44 45 B T - 0 0 38 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.887 7.5-167.9-115.9 137.0 -8.6 -11.8 31.0 45 46 B G E -C 37 0A 0 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.3 -0.904 6.4-152.4-124.7 153.8 -7.7 -15.1 32.5 46 47 B W E +C 36 0A 10 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.944 12.8 177.2-127.9 149.6 -4.8 -16.0 34.9 47 48 B G E -C 35 0A 0 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.4 -0.969 12.8-148.7-147.7 159.2 -2.8 -19.1 35.5 48 49 B E E -C 34 0A 0 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.990 8.4-173.2-134.0 143.4 0.1 -20.2 37.7 49 50 B G E +C 33 0A 0 -16,-2.5 -16,-2.4 -2,-0.4 246,-0.1 -0.966 13.5 166.9-135.3 115.8 2.8 -22.8 37.3 50 51 B C - 0 0 1 -2,-0.4 -18,-0.2 244,-0.3 216,-0.1 -0.702 18.6-157.6-134.0 83.9 5.0 -23.4 40.3 51 52 B P - 0 0 4 0, 0.0 2,-1.8 0, 0.0 -20,-0.4 -0.197 34.2-108.9 -53.3 148.4 7.3 -26.4 40.2 52 53 B W S >> S- 0 0 41 -22,-0.1 3,-0.5 242,-0.1 4,-0.5 -0.646 80.6 -60.5 -77.1 83.4 8.5 -27.7 43.7 53 54 B G T 34 S- 0 0 15 -2,-1.8 4,-0.3 1,-0.2 3,-0.1 -0.196 77.0 -72.8 56.2-160.7 12.0 -26.4 43.0 54 55 B H T 34 S+ 0 0 53 1,-0.1 5,-0.3 2,-0.1 -1,-0.2 0.283 122.9 58.5-114.1 6.8 13.8 -27.9 40.0 55 56 B S T <4 S+ 0 0 61 -3,-0.5 -1,-0.1 402,-0.2 402,-0.1 0.284 87.0 72.3-117.2 5.5 14.5 -31.4 41.3 56 57 B Y S < S- 0 0 28 -4,-0.5 -2,-0.1 3,-0.3 -3,-0.1 0.936 112.5 -9.1 -89.8 -46.1 11.1 -32.7 42.1 57 58 B L S S- 0 0 9 2,-0.3 2,-2.2 -4,-0.3 -1,-0.3 -0.794 93.8 -71.6-138.6 175.7 9.7 -33.3 38.6 58 59 B P S S+ 0 0 40 0, 0.0 41,-0.4 0, 0.0 2,-0.3 -0.543 101.4 94.1 -77.3 85.7 10.9 -32.5 35.0 59 60 B A + 0 0 4 -2,-2.2 -2,-0.3 -5,-0.3 2,-0.3 -0.933 42.7 168.9-173.1 142.0 10.1 -28.8 35.6 60 61 B H > - 0 0 2 -2,-0.3 4,-1.3 1,-0.1 -6,-0.1 -0.968 41.2-111.3-163.1 153.8 11.9 -25.6 36.6 61 62 B G H >> S+ 0 0 5 -2,-0.3 4,-2.0 1,-0.2 3,-0.6 0.915 113.6 48.1 -60.7 -49.4 11.0 -21.9 36.7 62 63 B P H 3> S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.877 111.9 51.9 -64.5 -28.1 13.4 -20.7 34.0 63 64 B G H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.767 106.5 55.2 -74.3 -26.0 12.3 -23.5 31.7 64 65 B L H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.1 3,-1.1 0.732 94.3 84.8 -81.3 -25.9 4.6 -21.1 22.5 72 73 B A H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-1.2 0.901 86.9 51.9 -49.9 -53.7 3.5 -17.4 22.6 73 74 B P H 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.849 114.0 48.0 -54.3 -30.1 3.6 -16.7 18.9 74 75 B H H <4 S+ 0 0 63 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.694 111.5 46.5 -85.3 -20.7 1.4 -19.8 18.4 75 76 B L H X< S+ 0 0 2 -4,-1.2 3,-2.6 -3,-1.2 -71,-0.4 0.765 86.4 99.5 -89.8 -31.7 -1.2 -18.9 21.1 76 77 B L T 3< S+ 0 0 21 -4,-2.3 -71,-0.2 1,-0.3 3,-0.1 -0.361 91.4 22.8 -52.9 126.3 -1.6 -15.3 20.0 77 78 B G T 3 S+ 0 0 32 -73,-2.2 -1,-0.3 1,-0.3 2,-0.1 0.233 93.0 129.3 98.0 -16.1 -4.8 -15.4 17.9 78 79 B L < - 0 0 25 -3,-2.6 -74,-1.8 -75,-0.1 -1,-0.3 -0.407 65.2-118.2 -76.9 149.4 -6.4 -18.5 19.3 79 80 B D > - 0 0 40 -76,-0.2 3,-1.5 1,-0.1 7,-0.2 -0.782 24.0-159.7 -81.3 111.0 -9.9 -18.7 20.6 80 81 B P T 3 S+ 0 0 0 0, 0.0 32,-0.3 0, 0.0 -1,-0.1 0.603 83.7 71.9 -75.7 -8.0 -9.3 -19.6 24.3 81 82 B R T 3 S+ 0 0 83 1,-0.2 2,-1.4 -79,-0.1 -2,-0.0 0.721 82.8 73.2 -71.8 -24.1 -12.9 -20.9 24.6 82 83 B S <> + 0 0 57 -3,-1.5 4,-2.1 1,-0.2 5,-0.2 -0.641 65.9 173.5 -90.2 77.0 -11.9 -24.0 22.5 83 84 B L H > S+ 0 0 17 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.910 71.3 49.5 -62.1 -44.1 -9.9 -25.7 25.2 84 85 B D H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 112.0 51.5 -60.9 -44.1 -9.1 -29.0 23.5 85 86 B H H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 107.3 50.3 -59.5 -44.2 -8.0 -27.1 20.5 86 87 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.906 110.5 52.4 -61.8 -39.5 -5.6 -24.9 22.4 87 88 B N H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 107.6 50.7 -61.6 -41.0 -4.2 -28.0 24.0 88 89 B R H X S+ 0 0 143 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.875 109.5 50.6 -63.9 -39.4 -3.6 -29.6 20.7 89 90 B V H X S+ 0 0 21 -4,-2.0 4,-3.2 2,-0.2 3,-0.3 0.965 110.9 48.0 -63.3 -49.6 -1.8 -26.5 19.4 90 91 B M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.887 113.2 50.4 -60.4 -35.1 0.5 -26.4 22.5 91 92 B D H < S+ 0 0 61 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.854 112.2 45.4 -73.4 -30.6 1.1 -30.1 21.9 92 93 B L H < S+ 0 0 118 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.914 117.9 44.2 -70.5 -43.1 2.0 -29.6 18.2 93 94 B Q H < S+ 0 0 44 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.642 130.8 11.4 -84.9 -18.9 4.2 -26.7 19.0 94 95 B L S < S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 324,-0.2 -0.655 76.0-148.3-154.8 93.6 6.2 -28.0 22.1 95 96 B P - 0 0 24 0, 0.0 325,-0.1 0, 0.0 -3,-0.1 -0.298 68.2 -4.0 -60.9 156.9 5.8 -31.6 22.9 96 97 B G S S+ 0 0 36 1,-0.1 5,-0.2 325,-0.1 -2,-0.1 -0.287 76.5 120.1 64.4-138.7 6.1 -32.6 26.6 97 98 B H >> + 0 0 17 1,-0.1 4,-1.6 324,-0.1 3,-1.1 0.923 31.9 170.4 48.3 50.2 6.8 -29.7 28.9 98 99 B S H 3> S+ 0 0 28 1,-0.3 4,-1.7 2,-0.2 170,-0.1 0.851 72.5 62.3 -63.4 -31.8 3.6 -30.2 30.8 99 100 B Y H 34 S+ 0 0 2 -41,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.792 104.3 49.2 -65.6 -28.0 4.8 -27.8 33.4 100 101 B V H <> S+ 0 0 0 -3,-1.1 4,-0.7 1,-0.1 -1,-0.2 0.873 112.0 47.7 -71.1 -41.5 4.8 -25.1 30.7 101 102 B K H X S+ 0 0 9 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.789 94.2 74.1 -77.3 -23.8 1.3 -25.9 29.5 102 103 B S H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 169,-0.3 0.919 96.7 45.5 -65.0 -48.0 -0.5 -26.0 32.7 103 104 B P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.846 112.9 52.3 -63.5 -29.6 -0.7 -22.3 33.4 104 105 B I H X S+ 0 0 1 -4,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.961 112.6 43.9 -68.6 -46.4 -1.7 -21.5 29.8 105 106 B D H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.850 110.7 55.4 -62.4 -38.3 -4.6 -24.0 30.0 106 107 B M H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.3 -60,-0.2 0.936 107.9 49.5 -61.6 -45.9 -5.6 -22.8 33.5 107 108 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.871 109.7 50.7 -64.4 -35.6 -5.9 -19.2 32.1 108 109 B C H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.904 108.0 52.4 -67.8 -38.8 -8.0 -20.4 29.2 109 110 B W H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.894 107.9 52.6 -61.5 -39.4 -10.3 -22.2 31.6 110 111 B D H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.957 111.4 46.4 -55.6 -51.1 -10.7 -18.9 33.6 111 112 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.938 112.2 49.8 -61.7 -47.1 -11.6 -17.1 30.4 112 113 B L H X S+ 0 0 36 -4,-3.2 4,-2.3 -32,-0.3 -1,-0.2 0.902 110.0 50.9 -59.1 -43.2 -14.1 -19.8 29.4 113 114 B G H X>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 4,-1.4 0.954 110.9 48.1 -62.1 -47.8 -15.7 -19.8 32.8 114 115 B Q H <5S+ 0 0 74 -4,-2.6 -2,-0.2 234,-0.3 -1,-0.2 0.883 111.8 49.4 -62.2 -36.1 -16.1 -16.0 32.7 115 116 B V H <5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 116.7 42.5 -68.4 -39.1 -17.6 -16.1 29.2 116 117 B A H <5S- 0 0 48 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.673 107.0-128.9 -79.2 -15.3 -20.0 -18.8 30.3 117 118 B G T <5 + 0 0 41 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.795 69.0 118.8 65.5 32.4 -20.7 -17.1 33.7 118 119 B L < - 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