==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 29-JUN-10 3NQE . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR A.A.FEDOROV,E.V.FEDOROV,B.M.WOOD,J.A.GERLT,S.C.ALMO . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 17.4 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 . 2 0.5 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 2 0 1 2 5 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 10 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 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 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 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 8 A V 0 0 129 0, 0.0 167,-0.0 0, 0.0 145,-0.0 0.000 360.0 360.0 360.0 155.7 21.1 20.6 8.6 2 9 A M - 0 0 18 1,-0.1 2,-1.1 2,-0.0 0, 0.0 -0.305 360.0-125.2 -57.6 139.8 23.4 18.7 10.9 3 10 A D - 0 0 121 29,-0.1 2,-0.7 4,-0.0 -1,-0.1 -0.759 27.5-162.4 -93.5 93.1 27.0 18.9 9.8 4 11 A V > - 0 0 12 -2,-1.1 3,-2.0 1,-0.1 5,-0.1 -0.661 20.3-122.7 -84.2 113.5 28.1 15.2 9.6 5 12 A M G > S- 0 0 76 -2,-0.7 3,-1.8 1,-0.3 27,-0.3 -0.295 89.5 -6.7 -59.3 131.7 31.8 14.8 9.6 6 13 A N G 3 S- 0 0 47 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.637 109.5 -89.4 57.7 18.0 33.1 13.0 6.5 7 14 A R G < S+ 0 0 61 -3,-2.0 185,-2.5 1,-0.2 2,-0.5 0.764 97.1 125.1 53.5 29.9 29.5 12.3 5.4 8 15 A L E < -a 192 0A 0 -3,-1.8 2,-0.5 183,-0.2 25,-0.4 -0.969 42.4-169.8-131.3 119.6 29.8 9.1 7.4 9 16 A I E -a 193 0A 0 183,-3.1 185,-2.7 -2,-0.5 2,-0.5 -0.927 20.0-135.6-109.7 124.7 27.5 7.9 10.3 10 17 A L E -ab 194 34A 0 23,-1.8 25,-3.2 -2,-0.5 2,-1.0 -0.666 6.1-148.7 -79.1 124.7 28.6 4.9 12.4 11 18 A A E - b 0 35A 5 183,-2.5 2,-1.5 -2,-0.5 188,-0.2 -0.830 14.9-161.1 -89.2 99.5 25.8 2.4 13.0 12 19 A M E + b 0 36A 0 23,-2.3 25,-0.5 -2,-1.0 28,-0.2 -0.637 30.9 150.5 -89.2 85.3 26.9 1.2 16.5 13 20 A D + 0 0 14 -2,-1.5 2,-0.2 23,-0.1 -1,-0.2 0.119 23.7 124.6-106.2 17.4 25.0 -2.1 16.8 14 21 A L - 0 0 25 1,-0.1 186,-0.0 2,-0.1 -2,-0.0 -0.526 52.2-149.5 -69.7 149.0 27.4 -4.0 19.0 15 22 A M + 0 0 51 -2,-0.2 2,-0.5 28,-0.1 -1,-0.1 0.465 69.9 84.0-108.1 -1.1 25.5 -5.2 22.1 16 23 A N > - 0 0 67 1,-0.1 4,-2.9 28,-0.0 5,-0.2 -0.879 69.5-144.4-105.2 128.1 28.3 -5.1 24.6 17 24 A R H > S+ 0 0 63 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.911 99.5 50.7 -58.5 -44.6 29.1 -1.8 26.3 18 25 A D H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 115.3 41.5 -61.3 -45.9 32.8 -2.4 26.4 19 26 A D H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.917 113.9 52.4 -69.1 -44.2 33.1 -3.3 22.7 20 27 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.927 113.6 44.2 -58.2 -45.0 30.7 -0.5 21.6 21 28 A L H X S+ 0 0 11 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.908 113.1 51.0 -65.8 -42.9 32.7 2.1 23.5 22 29 A R H X S+ 0 0 118 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.965 114.1 42.9 -61.0 -51.9 36.1 0.8 22.3 23 30 A V H X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.918 113.9 50.1 -63.3 -44.5 35.1 0.7 18.6 24 31 A T H >X S+ 0 0 4 -4,-2.3 3,-0.8 -5,-0.3 4,-0.6 0.933 110.9 50.5 -61.3 -43.6 33.4 4.1 18.8 25 32 A G H >< S+ 0 0 29 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.861 105.7 56.8 -59.9 -38.3 36.4 5.6 20.4 26 33 A E H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.739 113.4 38.7 -66.1 -25.0 38.7 4.2 17.8 27 34 A V H XX S+ 0 0 2 -4,-1.1 3,-2.3 -3,-0.8 4,-1.1 0.373 82.8 109.3-108.3 5.0 36.9 5.9 14.9 28 35 A R T << S+ 0 0 125 -3,-0.7 3,-0.2 -4,-0.6 -1,-0.1 0.774 72.5 59.3 -51.5 -35.3 36.2 9.1 16.8 29 36 A E T 34 S+ 0 0 141 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.676 113.9 37.9 -72.2 -12.6 38.7 11.1 14.6 30 37 A Y T <4 S+ 0 0 57 -3,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.609 117.4 43.5-108.2 -17.3 36.7 10.2 11.5 31 38 A I < + 0 0 7 -4,-1.1 -1,-0.2 -3,-0.2 -22,-0.1 -0.993 39.9 173.4-143.2 124.9 33.1 10.3 12.7 32 39 A D S S+ 0 0 31 -2,-0.4 27,-2.8 -24,-0.3 2,-0.4 0.216 71.3 69.5-112.9 12.0 31.2 12.8 14.8 33 40 A T E - c 0 59A 0 -25,-0.4 -23,-1.8 25,-0.3 2,-0.4 -0.986 60.1-174.1-137.0 121.9 27.7 11.3 14.3 34 41 A V E -bc 10 60A 2 25,-2.7 27,-2.5 -2,-0.4 2,-0.6 -0.959 16.3-147.7-123.2 131.4 26.7 7.9 15.7 35 42 A K E -bc 11 61A 13 -25,-3.2 -23,-2.3 -2,-0.4 2,-0.5 -0.887 18.3-169.3 -95.9 118.2 23.4 6.0 15.1 36 43 A I E +bc 12 62A 1 25,-2.4 27,-2.5 -2,-0.6 2,-0.1 -0.950 10.3 178.9-110.8 128.4 22.5 4.1 18.2 37 44 A G E > - c 0 63A 2 -25,-0.5 4,-2.3 -2,-0.5 3,-0.3 -0.417 45.0 -79.0-116.3-168.5 19.6 1.5 17.9 38 45 A Y H > S+ 0 0 12 25,-0.7 4,-2.8 1,-0.2 5,-0.4 0.813 115.9 69.2 -68.9 -30.4 17.8 -1.0 20.0 39 46 A P H > S+ 0 0 1 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.957 114.3 29.9 -52.8 -45.0 20.5 -3.7 19.8 40 47 A L H > S+ 0 0 0 -3,-0.3 4,-2.2 -28,-0.2 3,-0.4 0.924 121.8 50.2 -79.5 -44.6 22.7 -1.5 22.0 41 48 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -3,-0.2 0.885 111.2 47.9 -61.9 -40.3 20.0 0.3 24.0 42 49 A L H < S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.722 116.9 45.1 -74.9 -18.9 18.1 -2.9 25.0 43 50 A S H < S+ 0 0 42 -4,-0.6 -2,-0.2 -5,-0.4 -1,-0.2 0.778 131.3 16.4 -89.7 -30.9 21.4 -4.5 26.1 44 51 A E H < S- 0 0 54 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.459 104.9-111.3-128.5 -5.4 22.9 -1.6 28.0 45 52 A G >< - 0 0 24 -4,-2.3 3,-1.9 -5,-0.3 4,-0.2 0.026 37.5 -72.7 93.8 160.6 20.1 0.9 28.8 46 53 A M T >> S+ 0 0 18 1,-0.3 3,-1.7 2,-0.2 4,-0.7 0.727 119.7 77.3 -64.5 -20.6 19.2 4.5 27.7 47 54 A D H 3> S+ 0 0 124 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.600 74.6 78.8 -65.8 -8.7 22.1 5.7 29.8 48 55 A I H <> S+ 0 0 0 -3,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.838 88.2 56.3 -66.1 -29.3 24.4 4.5 26.9 49 56 A I H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.2 -1,-0.2 0.943 107.8 48.5 -64.9 -43.7 23.4 7.7 25.1 50 57 A A H X S+ 0 0 51 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.843 110.5 51.0 -60.2 -39.0 24.7 9.6 28.1 51 58 A E H X S+ 0 0 53 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.900 108.6 50.1 -72.4 -38.7 27.9 7.7 28.1 52 59 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.4 0.889 111.4 49.6 -64.2 -39.4 28.6 8.3 24.4 53 60 A R H < S+ 0 0 122 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.916 113.2 46.9 -64.6 -42.2 28.0 12.0 24.9 54 61 A K H < S+ 0 0 177 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.924 121.1 36.2 -63.6 -44.6 30.3 12.0 27.9 55 62 A R H < S+ 0 0 121 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.800 121.4 33.0 -83.3 -33.3 33.1 10.0 26.2 56 63 A F S < S- 0 0 8 -4,-2.6 2,-1.6 -5,-0.2 -1,-0.1 -0.907 72.8-122.5-128.4 151.9 32.9 11.3 22.6 57 64 A G + 0 0 51 -2,-0.3 2,-0.4 -29,-0.1 -4,-0.1 -0.470 68.5 137.5 -86.6 64.3 32.1 14.6 20.8 58 65 A C - 0 0 2 -2,-1.6 -25,-0.3 -6,-0.4 2,-0.2 -0.921 55.5-131.1-121.0 137.6 29.3 12.8 18.9 59 66 A R E -c 33 0A 62 -27,-2.8 -25,-2.7 -2,-0.4 2,-0.5 -0.535 30.6-137.4 -67.6 148.4 25.8 13.7 17.8 60 67 A I E -c 34 0A 0 24,-0.2 26,-2.0 -2,-0.2 27,-1.4 -0.957 17.2-169.7-119.8 123.1 23.4 10.8 18.6 61 68 A I E -cd 35 87A 0 -27,-2.5 -25,-2.4 -2,-0.5 2,-0.9 -0.956 18.4-144.8-106.1 118.8 20.7 9.6 16.3 62 69 A A E -cd 36 88A 0 25,-3.0 27,-2.3 -2,-0.6 2,-1.6 -0.760 7.7-159.1 -88.1 107.2 18.3 7.2 18.0 63 70 A D E +c 37 0A 8 -27,-2.5 -25,-0.7 -2,-0.9 27,-0.1 -0.628 37.2 143.4 -89.6 81.7 17.3 4.6 15.5 64 71 A F E - 0 0 5 -2,-1.6 3,-0.2 25,-0.5 -1,-0.2 0.348 52.5-138.0-106.5 5.1 14.1 3.4 17.1 65 72 A K E - 0 0 19 1,-0.2 25,-0.3 -3,-0.1 -2,-0.1 0.872 26.5-146.2 40.9 49.0 12.0 2.9 14.0 66 73 A V E + d 0 90A 3 23,-1.9 25,-2.2 1,-0.1 -1,-0.2 -0.204 35.6 158.8 -55.3 124.7 9.1 4.4 15.9 67 74 A A + 0 0 5 -3,-0.2 2,-0.2 23,-0.1 -1,-0.1 -0.169 27.6 102.3-150.6 45.8 6.0 2.6 14.7 68 75 A D S S- 0 0 12 1,-0.2 270,-0.0 30,-0.1 215,-0.0 -0.459 76.5 -64.4-118.6-172.2 3.1 2.8 17.1 69 76 A I > - 0 0 17 -2,-0.2 4,-2.9 1,-0.1 3,-0.2 -0.337 59.0 -99.1 -69.7 161.7 -0.1 4.7 17.6 70 77 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.888 120.7 52.4 -53.7 -43.2 0.2 8.5 18.1 71 78 A E H > S+ 0 0 65 1,-0.2 4,-1.4 2,-0.2 27,-0.0 0.907 114.6 41.0 -63.1 -43.1 -0.2 8.4 21.9 72 79 A T H > S+ 0 0 14 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 111.1 57.1 -72.7 -37.9 2.6 5.8 22.3 73 80 A N H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.899 104.3 53.9 -56.7 -41.7 4.8 7.4 19.7 74 81 A E H X S+ 0 0 57 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.927 109.3 47.4 -59.2 -45.6 4.7 10.6 21.8 75 82 A K H X S+ 0 0 32 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.902 111.0 51.0 -62.8 -43.1 5.8 8.8 24.9 76 83 A I H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.941 112.1 47.0 -62.1 -46.8 8.7 7.0 23.0 77 84 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.917 110.9 51.7 -61.6 -42.9 9.9 10.3 21.6 78 85 A R H X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.939 112.2 45.3 -59.7 -48.4 9.7 12.1 25.0 79 86 A A H X S+ 0 0 9 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.887 113.7 50.9 -63.0 -37.0 11.7 9.4 26.7 80 87 A T H <>S+ 0 0 0 -4,-2.2 5,-1.6 -5,-0.2 4,-0.4 0.926 113.6 41.9 -69.4 -45.6 14.3 9.3 23.9 81 88 A F H ><5S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.883 109.2 59.9 -69.3 -35.3 14.9 13.1 23.8 82 89 A K H 3<5S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.857 101.8 55.7 -56.2 -35.8 14.9 13.2 27.7 83 90 A A T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.602 128.3 -96.9 -77.4 -12.7 17.9 10.7 27.5 84 91 A G T < 5 + 0 0 27 -3,-1.4 -24,-0.2 -4,-0.4 -3,-0.2 0.545 66.4 154.3 112.1 8.8 19.9 13.1 25.2 85 92 A A < - 0 0 0 -5,-1.6 -1,-0.3 1,-0.2 -24,-0.2 -0.489 35.0-152.0 -68.4 136.4 19.3 11.9 21.7 86 93 A D S S+ 0 0 51 -26,-2.0 26,-1.7 1,-0.2 2,-0.3 0.811 77.7 2.6 -73.8 -31.7 19.7 14.7 19.1 87 94 A A E -de 61 112A 0 -27,-1.4 -25,-3.0 24,-0.2 2,-0.3 -0.968 63.0-144.4-152.9 160.2 17.3 13.0 16.7 88 95 A I E -de 62 113A 0 24,-2.0 26,-2.9 -2,-0.3 2,-0.5 -0.972 16.0-131.9-131.7 146.2 15.0 10.0 16.4 89 96 A I E - e 0 114A 2 -27,-2.3 -23,-1.9 -2,-0.3 -25,-0.5 -0.877 27.4-173.2-102.2 131.8 14.1 7.8 13.4 90 97 A V E -de 66 115A 0 24,-3.0 26,-2.4 -2,-0.5 -23,-0.1 -0.961 21.8-121.9-130.6 137.6 10.4 7.1 12.8 91 98 A H E - e 0 116A 3 -25,-2.2 26,-0.1 -2,-0.4 -23,-0.1 -0.469 10.8-159.8 -74.7 147.9 8.5 4.8 10.4 92 99 A G S > S+ 0 0 0 24,-1.0 3,-2.2 -2,-0.1 7,-0.2 0.607 74.1 85.4 -99.1 -15.4 6.0 6.3 8.0 93 100 A F T 3 S+ 0 0 2 1,-0.3 254,-0.5 23,-0.2 253,-0.4 0.774 79.6 65.1 -64.3 -25.9 4.0 3.2 7.2 94 101 A P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.581 113.8-112.3 -71.4 -4.7 1.7 3.6 10.3 95 102 A G <> - 0 0 0 -3,-2.2 4,-1.6 1,-0.2 5,-0.1 -0.285 33.0 -56.3 106.9 175.7 0.5 6.9 8.7 96 103 A A H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.843 123.1 55.4 -69.1 -39.3 0.4 10.6 9.0 97 104 A D H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 108.3 50.0 -60.7 -41.4 -1.0 10.9 12.6 98 105 A S H > S+ 0 0 0 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.889 113.6 45.5 -65.2 -37.2 1.7 8.7 13.9 99 106 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 3,-0.5 0.935 110.2 53.7 -69.1 -44.5 4.4 10.8 12.2 100 107 A R H X S+ 0 0 116 -4,-3.0 4,-2.6 1,-0.3 5,-0.2 0.862 101.9 59.7 -59.9 -36.5 2.8 14.1 13.3 101 108 A A H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.916 108.9 44.0 -55.8 -43.8 2.9 12.8 16.9 102 109 A C H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.5 -2,-0.2 0.912 112.0 52.0 -69.8 -43.0 6.7 12.5 16.7 103 110 A L H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 107.8 53.2 -60.0 -38.7 7.1 15.8 14.9 104 111 A N H X S+ 0 0 87 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.924 111.1 44.6 -66.8 -42.6 5.1 17.6 17.6 105 112 A V H X S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.929 112.8 51.7 -66.0 -42.5 7.3 16.2 20.4 106 113 A A H X>S+ 0 0 4 -4,-2.6 5,-2.4 1,-0.2 4,-1.0 0.918 111.0 48.4 -61.7 -40.5 10.4 17.0 18.5 107 114 A E H ><5S+ 0 0 156 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.941 113.8 46.2 -61.2 -48.4 9.2 20.6 18.0 108 115 A E H 3<5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 119.0 41.4 -63.3 -35.5 8.4 21.0 21.6 109 116 A M H 3<5S- 0 0 57 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.458 109.9-116.4 -97.7 -1.5 11.6 19.5 22.8 110 117 A G T <<5S+ 0 0 64 -4,-1.0 -3,-0.2 -3,-0.6 2,-0.2 0.821 74.7 113.8 72.4 34.5 14.0 21.2 20.3 111 118 A R < - 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