==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-OCT-04 1XNG . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR G.B.KANG,Y.S.KIM,Y.J.IM,S.H.RHO,J.H.LEE,S.H.EOM . 517 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.6 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 . 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 . 21 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 3 1 0 0 4 0 0 3 5 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 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 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 2 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 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 3 A K 0 0 124 0, 0.0 2,-1.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 11.7 -6.2 35.7 -34.0 2 4 A D >> + 0 0 63 1,-0.2 4,-1.2 2,-0.1 3,-0.5 -0.338 360.0 136.7 -86.1 55.1 -9.1 37.3 -32.1 3 5 A Y H 3> + 0 0 60 -2,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.701 66.5 66.6 -72.7 -18.6 -8.3 35.7 -28.8 4 6 A Q H 3> S+ 0 0 126 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.852 99.9 51.1 -67.9 -33.3 -9.0 39.1 -27.2 5 7 A K H <> S+ 0 0 135 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.896 110.7 48.1 -68.0 -41.4 -12.6 38.4 -28.3 6 8 A L H X S+ 0 0 22 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.900 108.6 53.5 -66.4 -42.8 -12.5 35.0 -26.6 7 9 A I H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.932 109.9 47.6 -59.9 -44.0 -11.0 36.5 -23.4 8 10 A V H X S+ 0 0 101 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.919 111.7 51.7 -62.0 -43.2 -13.8 39.0 -23.2 9 11 A Y H X S+ 0 0 65 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 112.2 44.1 -58.9 -49.9 -16.3 36.2 -23.8 10 12 A L H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.868 113.2 51.0 -66.6 -36.5 -15.0 34.0 -21.1 11 13 A C H X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.928 110.1 49.7 -66.4 -42.6 -14.7 36.8 -18.6 12 14 A D H X S+ 0 0 83 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.905 109.2 53.4 -61.2 -39.9 -18.2 37.8 -19.3 13 15 A F H X S+ 0 0 22 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.939 110.4 46.3 -59.0 -50.6 -19.3 34.2 -18.7 14 16 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.926 114.1 48.0 -59.4 -46.6 -17.6 34.0 -15.4 15 17 A E H X S+ 0 0 88 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.963 115.9 43.2 -60.8 -52.1 -19.0 37.4 -14.3 16 18 A K H X S+ 0 0 95 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.920 114.4 48.3 -60.4 -48.7 -22.6 36.5 -15.3 17 19 A E H X S+ 0 0 32 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.847 114.7 45.2 -63.8 -36.8 -22.6 32.9 -14.0 18 20 A V H <>S+ 0 0 1 -4,-1.9 5,-2.2 -5,-0.3 3,-0.4 0.913 116.1 47.1 -73.2 -41.0 -21.3 33.9 -10.6 19 21 A Q H ><5S+ 0 0 122 -4,-2.3 3,-2.5 -5,-0.3 -2,-0.2 0.933 106.0 55.9 -65.3 -48.6 -23.6 36.9 -10.3 20 22 A K H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 105.9 54.5 -57.9 -22.6 -26.8 35.1 -11.4 21 23 A R T 3<5S- 0 0 86 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.461 121.2-108.0 -91.0 -1.8 -26.1 32.6 -8.5 22 24 A G T < 5S+ 0 0 67 -3,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.691 78.7 121.3 85.0 19.1 -25.9 35.4 -6.0 23 25 A F < - 0 0 67 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.718 39.7-178.5-113.3 165.3 -22.2 35.2 -5.4 24 26 A K + 0 0 167 100,-0.5 2,-0.3 -2,-0.2 101,-0.1 0.215 67.7 64.4-142.2 8.5 -19.3 37.7 -5.8 25 27 A K - 0 0 73 99,-0.3 101,-1.8 -7,-0.1 2,-0.3 -0.984 56.5-170.1-137.7 148.6 -16.3 35.5 -4.8 26 28 A V E -ab 51 126A 0 24,-2.2 26,-2.8 -2,-0.3 2,-0.3 -0.944 5.7-166.1-137.6 158.3 -14.7 32.4 -6.3 27 29 A V E +ab 52 127A 0 99,-2.4 101,-2.4 -2,-0.3 2,-0.3 -0.969 11.5 170.8-139.5 151.5 -12.0 29.8 -5.4 28 30 A Y E -a 53 0A 0 24,-1.6 26,-2.6 -2,-0.3 2,-0.5 -0.971 38.5 -97.4-156.1 160.9 -10.2 27.2 -7.5 29 31 A G E -a 54 0A 21 99,-0.4 2,-0.6 -2,-0.3 26,-0.2 -0.753 31.0-159.0 -87.7 129.8 -7.3 24.8 -7.2 30 32 A L + 0 0 6 24,-2.0 26,-0.2 -2,-0.5 39,-0.1 -0.940 17.8 169.3-113.0 112.1 -4.0 26.1 -8.6 31 33 A S - 0 0 70 -2,-0.6 38,-0.2 24,-0.1 37,-0.1 0.608 55.7-104.6 -97.2 -18.6 -1.6 23.3 -9.3 32 34 A G S S+ 0 0 0 1,-0.4 2,-0.1 36,-0.2 -2,-0.1 0.320 85.8 117.7 104.3 -4.2 1.2 25.0 -11.3 33 35 A G S > S- 0 0 20 149,-0.1 4,-1.2 1,-0.1 -1,-0.4 -0.337 77.7-101.6 -89.5 175.4 -0.1 23.6 -14.5 34 36 A L H > S+ 0 0 18 141,-0.2 4,-2.4 144,-0.2 5,-0.2 0.940 111.0 50.9 -63.4 -54.6 -1.5 25.3 -17.6 35 37 A D H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 112.9 43.2 -55.1 -51.0 -5.2 24.8 -17.2 36 38 A S H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.806 111.7 56.5 -67.9 -26.9 -5.5 26.1 -13.6 37 39 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.930 107.9 47.6 -68.1 -43.5 -3.2 29.0 -14.5 38 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.940 114.2 46.5 -62.0 -46.0 -5.5 30.1 -17.3 39 41 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.904 112.0 52.2 -63.9 -39.3 -8.5 29.9 -15.1 40 42 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.921 110.5 46.1 -62.6 -45.4 -6.7 31.8 -12.3 41 43 A V H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 112.3 51.2 -65.6 -40.6 -5.7 34.6 -14.6 42 44 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.920 111.4 47.3 -63.3 -42.5 -9.2 34.9 -16.1 43 45 A C H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.5 0.830 107.9 56.5 -68.5 -31.0 -10.8 35.0 -12.6 44 46 A Q H X S+ 0 0 33 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.891 104.9 52.1 -67.6 -38.4 -8.3 37.6 -11.5 45 47 A K H < S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 120.1 34.9 -65.8 -33.2 -9.3 39.9 -14.3 46 48 A V H < S+ 0 0 27 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.889 134.4 19.0 -88.7 -46.0 -13.0 39.6 -13.3 47 49 A F H >< S- 0 0 23 -4,-3.5 3,-3.0 1,-0.2 -3,-0.2 0.485 79.7-169.0-108.0 -3.3 -13.0 39.4 -9.5 48 50 A K G >< S+ 0 0 119 -4,-1.5 3,-1.6 -5,-0.5 -1,-0.2 -0.262 79.4 2.2 51.6-123.9 -9.6 40.8 -8.7 49 51 A E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 29,-0.1 -5,-0.1 0.594 125.6 72.3 -68.5 -9.3 -9.0 40.1 -5.0 50 52 A N G < S+ 0 0 80 -3,-3.0 -24,-2.2 -6,-0.1 2,-0.5 0.413 82.0 80.2 -85.5 1.1 -12.3 38.3 -4.8 51 53 A A E < S-a 26 0A 1 -3,-1.6 2,-0.4 -26,-0.2 -24,-0.2 -0.952 70.3-163.0-108.7 125.1 -10.9 35.3 -6.8 52 54 A H E -a 27 0A 29 -26,-2.8 -24,-1.6 -2,-0.5 2,-0.4 -0.923 11.4-146.9-119.0 132.4 -8.8 33.0 -4.6 53 55 A A E -ac 28 80A 0 26,-2.6 28,-1.8 -2,-0.4 2,-0.6 -0.776 9.8-159.4 -95.9 134.7 -6.3 30.4 -5.5 54 56 A L E -ac 29 81A 5 -26,-2.6 -24,-2.0 -2,-0.4 2,-0.5 -0.956 2.1-162.1-116.5 116.6 -5.9 27.3 -3.3 55 57 A L E + c 0 82A 3 26,-2.6 28,-3.4 -2,-0.6 -24,-0.1 -0.875 11.5 176.5 -99.8 123.6 -2.7 25.3 -3.5 56 58 A M - 0 0 10 -2,-0.5 28,-0.2 -26,-0.2 26,-0.1 -0.599 6.4-173.2-129.5 72.2 -3.0 21.8 -2.1 57 59 A P - 0 0 24 0, 0.0 28,-2.3 0, 0.0 29,-0.6 -0.302 9.1-153.6 -65.9 151.1 0.3 19.8 -2.6 58 60 A S - 0 0 13 26,-0.2 28,-0.2 27,-0.2 126,-0.0 -0.310 38.5 -84.9-107.2-166.9 0.2 16.1 -1.7 59 61 A S S S+ 0 0 69 1,-0.2 126,-0.0 26,-0.2 27,-0.0 0.702 131.0 33.9 -75.9 -19.9 3.0 13.7 -0.6 60 62 A V S S+ 0 0 56 123,-0.1 -1,-0.2 124,-0.1 125,-0.1 0.467 84.1 125.1-113.3 -5.4 3.9 13.1 -4.2 61 63 A S S S- 0 0 22 1,-0.1 123,-0.1 123,-0.1 125,-0.1 -0.338 70.7-109.1 -56.5 132.2 3.2 16.5 -5.8 62 64 A M >> - 0 0 63 1,-0.1 4,-1.0 121,-0.1 3,-0.8 -0.485 18.7-135.9 -70.5 127.4 6.3 17.8 -7.5 63 65 A P H >> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.852 100.3 59.3 -46.3 -48.8 8.0 20.7 -5.7 64 66 A E H 3> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 99.5 58.5 -52.6 -43.1 8.6 22.8 -8.9 65 67 A N H <> S+ 0 0 21 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.898 105.5 48.6 -55.6 -44.3 4.8 22.8 -9.7 66 68 A K H S+ 0 0 2 -4,-1.9 5,-2.6 1,-0.2 4,-0.6 0.892 111.6 47.8 -62.0 -40.7 0.0 34.4 -7.9 74 76 A E H <5S+ 0 0 151 -4,-2.0 3,-0.4 3,-0.2 -1,-0.2 0.888 112.6 49.9 -68.7 -36.1 2.7 37.0 -7.2 75 77 A K H <5S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 122.0 31.5 -69.5 -39.1 2.9 38.0 -10.9 76 78 A F H <5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.233 108.8-115.4-104.7 12.6 -0.9 38.4 -11.3 77 79 A S T <5 + 0 0 89 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.908 53.8 168.4 54.6 47.2 -1.6 39.6 -7.7 78 80 A I < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -26,-0.1 -0.816 34.2-131.0 -96.1 117.9 -3.7 36.5 -7.0 79 81 A P + 0 0 37 0, 0.0 -26,-2.6 0, 0.0 2,-0.3 -0.425 39.8 176.6 -63.6 140.9 -4.6 36.0 -3.3 80 82 A Y E -c 53 0A 110 -28,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.928 29.2-153.4-146.0 168.3 -3.8 32.5 -2.3 81 83 A T E -c 54 0A 54 -28,-1.8 -26,-2.6 -2,-0.3 2,-0.5 -0.990 14.4-145.2-143.6 132.7 -3.7 29.9 0.5 82 84 A E E +c 55 0A 85 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.889 23.2 170.6-103.1 126.1 -1.5 26.9 0.8 83 85 A Y - 0 0 37 -28,-3.4 2,-0.2 -2,-0.5 32,-0.1 -0.911 22.8-142.7-138.8 110.3 -3.0 23.8 2.4 84 86 A S - 0 0 47 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.475 13.8-171.8 -74.7 137.3 -1.2 20.4 2.3 85 87 A I >> + 0 0 0 -28,-2.3 4,-2.1 -2,-0.2 3,-1.0 0.271 61.5 104.8-106.5 8.2 -3.3 17.3 1.9 86 88 A A H 3> S+ 0 0 21 -29,-0.6 4,-2.3 1,-0.3 5,-0.2 0.894 71.8 59.7 -56.5 -43.5 -0.2 15.1 2.6 87 89 A P H 3> S+ 0 0 46 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.836 110.6 44.4 -57.6 -27.6 -1.3 14.2 6.2 88 90 A Y H <> S+ 0 0 0 -3,-1.0 4,-1.6 2,-0.2 3,-0.3 0.891 112.8 46.2 -83.5 -42.1 -4.4 12.7 4.6 89 91 A D H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -3,-0.2 0.771 105.5 64.9 -72.3 -19.7 -2.8 10.8 1.7 90 92 A A H X S+ 0 0 50 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.880 103.0 46.1 -66.5 -39.3 -0.3 9.5 4.2 91 93 A I H X S+ 0 0 26 -4,-0.7 4,-1.9 -3,-0.3 5,-0.2 0.919 111.5 51.9 -68.9 -43.3 -3.1 7.7 6.1 92 94 A F H X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.893 109.4 49.9 -59.7 -41.2 -4.4 6.3 2.8 93 95 A S H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 110.4 50.1 -67.7 -31.9 -1.0 5.0 1.8 94 96 A S H < S+ 0 0 77 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.824 115.9 41.7 -76.2 -31.3 -0.5 3.3 5.2 95 97 A H H < S+ 0 0 94 -4,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.769 127.7 30.3 -85.2 -29.2 -3.9 1.6 4.9 96 98 A F >< + 0 0 38 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 -0.629 66.1 159.5-132.0 74.9 -3.6 0.7 1.2 97 99 A K T 3 S+ 0 0 165 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.920 78.6 46.4 -62.1 -47.1 0.0 0.1 0.4 98 100 A D T 3 S+ 0 0 162 3,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.316 82.9 134.4 -81.1 10.1 -0.6 -1.9 -2.7 99 101 A A < - 0 0 10 -3,-1.1 -3,-0.1 -6,-0.1 5,-0.0 -0.363 62.9-107.3 -61.8 136.9 -3.2 0.5 -4.0 100 102 A S > - 0 0 57 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.112 24.5-111.3 -60.0 161.0 -2.7 1.4 -7.7 101 103 A L H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.880 120.0 55.6 -62.0 -36.5 -1.3 4.8 -8.7 102 104 A T H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 106.9 47.5 -63.4 -43.5 -4.8 5.5 -10.1 103 105 A R H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 113.7 48.5 -64.4 -43.3 -6.5 4.8 -6.8 104 106 A K H X S+ 0 0 46 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.908 113.7 46.6 -62.4 -43.1 -4.0 6.9 -4.9 105 107 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 109.5 53.2 -67.7 -40.6 -4.4 9.8 -7.3 106 108 A N H X S+ 0 0 28 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.879 107.1 52.7 -63.3 -37.0 -8.2 9.6 -7.4 107 109 A F H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.929 110.5 47.6 -64.5 -42.6 -8.2 9.9 -3.6 108 110 A C H X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.897 109.3 52.7 -64.5 -40.1 -6.1 13.0 -3.7 109 111 A A H X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.865 111.7 46.9 -63.9 -35.9 -8.2 14.6 -6.4 110 112 A R H X S+ 0 0 18 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.844 107.4 55.6 -74.8 -33.6 -11.3 14.0 -4.3 111 113 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.905 108.6 49.9 -63.5 -37.5 -9.5 15.4 -1.2 112 114 A R H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.899 108.1 52.1 -67.5 -38.0 -8.9 18.5 -3.3 113 115 A M H X S+ 0 0 4 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.960 109.7 51.1 -59.3 -49.8 -12.6 18.7 -4.2 114 116 A A H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.868 112.2 43.7 -57.7 -42.7 -13.5 18.5 -0.6 115 117 A F H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.830 111.5 53.6 -76.8 -28.7 -11.2 21.3 0.6 116 118 A L H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.932 113.7 43.2 -68.1 -42.0 -12.2 23.5 -2.3 117 119 A Y H X S+ 0 0 24 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.864 113.7 51.6 -70.1 -33.7 -15.8 23.1 -1.4 118 120 A D H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.945 111.2 47.3 -65.5 -46.6 -15.0 23.5 2.3 119 121 A Y H X S+ 0 0 35 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.910 110.5 54.0 -60.6 -41.2 -13.1 26.7 1.5 120 122 A S H X>S+ 0 0 13 -4,-2.3 5,-2.9 1,-0.2 4,-0.6 0.899 108.9 46.5 -62.9 -41.1 -16.0 27.9 -0.6 121 123 A L H ><5S+ 0 0 82 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.937 113.1 48.4 -67.8 -45.1 -18.7 27.4 2.1 122 124 A K H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 122.0 35.4 -68.1 -20.9 -16.6 29.2 4.8 123 125 A S H 3<5S- 0 0 17 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.298 108.9-116.9-114.8 5.9 -15.8 32.1 2.5 124 126 A D T <<5 + 0 0 116 -3,-0.8 -100,-0.5 -4,-0.6 -99,-0.3 0.938 69.4 134.2 57.4 50.6 -19.1 32.3 0.6 125 127 A S < - 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0 0 92 2,-0.0 -2,-0.0 4,-0.0 0, 0.0 -0.790 37.2-140.1 -86.0 107.6 -20.7 37.6 -34.6 515 261 B L > - 0 0 75 -2,-0.9 3,-1.6 1,-0.1 -1,-0.0 -0.209 19.6-105.8 -68.2 160.4 -19.0 38.3 -38.0 516 262 B E T 3 S+ 0 0 177 1,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.831 119.6 46.6 -56.1 -37.1 -19.0 41.7 -39.6 517 263 B H T 3 0 0 143 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.430 360.0 360.0 -88.7 1.4 -21.6 40.8 -42.2 518 264 B H < 0 0 147 -3,-1.6 -4,-0.0 0, 0.0 0, 0.0 -0.537 360.0 360.0 -71.9 360.0 -23.9 39.1 -39.7