==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 08-JUL-07 2QJO . COMPND 2 MOLECULE: BIFUNCTIONAL NMN ADENYLYLTRANSFERASE/NUDIX HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR N.HUANG,L.SORCI,X.ZHANG,C.BRAUTIGAN,N.RAFFAELLI,G.MAGNI,N.V. . 995 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 7.6 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 . 6 0.6 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 . 3 0.3 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 3 1 5 0 2 3 6 1 0 6 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 5 0 5 1 0 2 1 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 6 3 0 3 3 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 3 0 0 3 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 -1 A D 0 0 202 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 -117.1 -1.2 -38.1 2 0 A P - 0 0 131 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.389 360.0-140.6 -65.5 125.8 -113.9 -0.4 -40.0 3 1 A M - 0 0 77 -2,-0.2 5,-0.0 2,-0.1 0, 0.0 -0.638 6.7-147.0 -81.9 146.6 -111.8 2.2 -38.3 4 2 A Q S S+ 0 0 200 -2,-0.3 2,-0.2 3,-0.1 -1,-0.1 0.599 82.8 49.7 -83.5 -11.3 -110.1 4.8 -40.4 5 3 A T S S- 0 0 23 1,-0.1 28,-0.2 2,-0.1 29,-0.1 -0.766 84.7-117.2-125.1 166.1 -107.2 4.9 -37.9 6 4 A K S S+ 0 0 151 26,-0.3 2,-0.2 27,-0.3 28,-0.2 0.934 95.3 28.7 -67.5 -46.9 -104.9 2.4 -36.2 7 5 A Y E -a 34 0A 51 26,-2.9 28,-1.7 1,-0.1 101,-0.1 -0.723 64.1-135.6-116.5 161.9 -106.0 3.3 -32.7 8 6 A Q E S+ 0 0 68 99,-0.6 28,-1.6 -2,-0.2 2,-0.4 0.819 93.5 28.4 -74.3 -34.2 -109.1 4.6 -30.9 9 7 A Y E -ab 36 108A 39 98,-1.6 100,-2.2 26,-0.2 2,-0.4 -0.990 58.5-167.0-140.9 138.6 -107.0 7.0 -28.8 10 8 A G E -ab 37 109A 0 26,-1.8 28,-3.6 -2,-0.4 2,-0.5 -0.985 11.9-155.1-125.2 135.2 -103.8 8.9 -29.0 11 9 A I E -ab 38 110A 0 98,-3.2 100,-2.5 -2,-0.4 2,-0.5 -0.913 9.5-176.5-114.2 126.2 -102.1 10.6 -26.1 12 10 A Y E -ab 39 111A 20 26,-3.1 28,-2.5 -2,-0.5 2,-0.4 -0.956 10.8-165.7-125.6 112.6 -99.8 13.5 -26.5 13 11 A I E +a 40 0A 14 98,-0.5 2,-0.3 -2,-0.5 28,-0.2 -0.812 24.1 121.8-100.0 134.1 -98.1 14.7 -23.3 14 12 A G E -a 41 0A 14 26,-2.5 28,-3.0 -2,-0.4 -2,-0.0 -0.993 61.8-121.0-168.5 178.2 -96.3 18.0 -22.8 15 13 A R - 0 0 80 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.748 39.7-159.9 -86.4 -36.9 -95.8 21.4 -21.2 16 14 A F > - 0 0 6 2,-0.2 3,-0.8 1,-0.2 47,-0.1 0.975 11.7-174.7 50.1 71.6 -96.2 23.2 -24.6 17 15 A Q T 3 S- 0 0 1 1,-0.8 128,-0.2 36,-0.1 -1,-0.2 -0.600 85.4 -6.7-135.7 64.8 -94.4 26.3 -23.3 18 16 A P T 3 S- 0 0 0 0, 0.0 -1,-0.8 0, 0.0 2,-0.3 0.587 92.1-120.6 -97.8 170.9 -95.2 27.5 -25.9 19 17 A F < - 0 0 3 -3,-0.8 2,-0.2 -4,-0.1 145,-0.0 -0.481 43.9-178.5 -58.0 121.0 -96.8 25.2 -28.5 20 18 A H > - 0 0 10 -2,-0.3 4,-1.8 140,-0.2 140,-0.3 -0.573 43.0 -87.0-120.1-171.8 -94.5 25.3 -31.5 21 19 A L H > S+ 0 0 60 138,-2.5 4,-1.9 1,-0.2 139,-0.1 0.797 123.3 58.1 -75.0 -29.2 -94.5 23.8 -35.0 22 20 A G H > S+ 0 0 4 137,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.939 107.4 48.2 -55.2 -49.3 -92.7 20.6 -33.8 23 21 A H H > S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.896 110.0 52.3 -60.2 -40.8 -95.6 20.0 -31.4 24 22 A L H X S+ 0 0 30 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.856 105.7 54.7 -66.9 -34.0 -98.2 20.6 -34.2 25 23 A R H X S+ 0 0 148 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.967 112.3 42.6 -63.9 -47.9 -96.4 18.1 -36.4 26 24 A T H X S+ 0 0 4 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.951 112.5 53.9 -62.3 -45.5 -96.8 15.4 -33.7 27 25 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.891 110.0 48.4 -53.2 -42.3 -100.3 16.6 -32.9 28 26 A N H X S+ 0 0 79 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.896 109.6 51.4 -66.0 -41.8 -101.1 16.1 -36.7 29 27 A L H >X S+ 0 0 46 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.917 108.1 52.8 -58.5 -43.6 -99.5 12.7 -36.6 30 28 A A H 3X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.885 105.1 55.3 -61.4 -36.2 -101.7 11.8 -33.6 31 29 A L H 3< S+ 0 0 11 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 109.6 46.8 -69.4 -23.7 -104.8 12.9 -35.6 32 30 A E H << S+ 0 0 136 -4,-1.2 -26,-0.3 -3,-0.6 -1,-0.2 0.793 115.0 46.7 -79.9 -30.7 -103.8 10.5 -38.3 33 31 A K H < S+ 0 0 63 -4,-1.9 -26,-2.9 -28,-0.2 2,-0.3 0.666 115.2 33.3 -89.8 -14.8 -103.2 7.6 -35.9 34 32 A A E < -a 7 0A 0 -4,-1.5 -26,-0.2 -28,-0.2 -25,-0.1 -0.991 64.4-132.5-146.2 145.8 -106.2 7.8 -33.7 35 33 A E E S+ 0 0 70 -28,-1.7 2,-0.4 -2,-0.3 -26,-0.2 0.839 100.3 27.3 -64.8 -34.7 -109.9 8.6 -33.8 36 34 A Q E S-a 9 0A 57 -28,-1.6 -26,-1.8 -29,-0.1 2,-0.4 -0.983 75.8-150.1-131.1 137.1 -109.7 10.8 -30.7 37 35 A V E -ac 10 75A 0 37,-3.3 39,-2.4 -2,-0.4 2,-0.6 -0.931 2.1-156.5-116.0 137.2 -106.7 12.7 -29.4 38 36 A I E -ac 11 76A 0 -28,-3.6 -26,-3.1 -2,-0.4 2,-0.6 -0.934 3.3-161.8-113.8 113.5 -105.9 13.5 -25.8 39 37 A I E -ac 12 77A 2 37,-2.9 39,-2.8 -2,-0.6 2,-0.7 -0.865 8.5-154.7 -93.8 123.5 -103.6 16.4 -25.1 40 38 A I E -ac 13 78A 1 -28,-2.5 -26,-2.5 -2,-0.6 2,-1.1 -0.878 2.5-153.6 -99.9 112.3 -102.2 16.2 -21.6 41 39 A L E -ac 14 79A 2 37,-3.6 39,-1.8 -2,-0.7 3,-0.3 -0.753 20.4-162.4 -85.4 100.8 -101.2 19.6 -20.2 42 40 A G E + 0 0 6 -28,-3.0 39,-0.1 -2,-1.1 40,-0.1 -0.203 63.9 43.8 -75.7 175.3 -98.5 18.9 -17.7 43 41 A S E > S- 0 0 9 38,-0.2 3,-1.3 1,-0.2 38,-0.2 0.844 75.6-177.5 52.8 40.6 -97.3 21.1 -15.0 44 42 A H E 3 + c 0 81A 22 36,-2.5 38,-0.6 -3,-0.3 -1,-0.2 -0.435 67.1 7.4 -63.7 136.4 -100.9 22.2 -14.0 45 43 A R T 3 S+ 0 0 100 1,-0.2 2,-0.4 36,-0.1 -1,-0.3 0.704 88.6 148.6 65.3 23.3 -100.9 24.7 -11.2 46 44 A V < - 0 0 42 -3,-1.3 -1,-0.2 1,-0.1 273,-0.1 -0.759 60.9 -96.9 -85.5 135.7 -97.2 25.3 -11.2 47 45 A A - 0 0 10 274,-0.5 5,-0.2 -2,-0.4 273,-0.1 -0.280 49.8-101.3 -52.4 123.7 -96.1 28.9 -10.2 48 46 A A + 0 0 34 271,-0.3 2,-0.2 5,-0.1 -1,-0.1 -0.226 61.4 152.4 -50.6 129.8 -95.5 30.8 -13.5 49 47 A D - 0 0 30 3,-1.2 131,-0.1 -3,-0.1 -1,-0.0 -0.856 60.8 -79.4-146.3-175.9 -91.8 31.0 -14.2 50 48 A T S S+ 0 0 17 -2,-0.2 99,-0.1 1,-0.2 -2,-0.1 0.706 130.4 44.5 -68.0 -17.5 -89.3 31.3 -17.1 51 49 A R S S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.782 128.4 27.9 -90.0 -30.7 -89.6 27.5 -17.8 52 50 A N S S+ 0 0 9 -5,-0.2 -3,-1.2 1,-0.1 -1,-0.2 -0.656 70.1 157.2-130.4 72.7 -93.4 27.5 -17.5 53 51 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.761 57.6 61.6 -72.0 -29.3 -94.7 31.0 -18.4 54 52 A W S S- 0 0 5 -38,-0.1 -5,-0.1 -6,-0.0 2,-0.1 -0.844 76.2-132.1-108.3 136.2 -98.3 30.1 -19.4 55 53 A R > - 0 0 83 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.337 36.3 -98.9 -75.6 164.0 -101.0 28.6 -17.2 56 54 A S H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 121.0 52.1 -60.8 -38.9 -103.0 25.6 -18.4 57 55 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 111.9 49.2 -65.1 -30.7 -106.1 27.5 -19.5 58 56 A E H > S+ 0 0 36 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.937 110.6 49.1 -67.4 -42.6 -103.8 29.8 -21.5 59 57 A R H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.889 111.2 50.1 -65.6 -36.3 -102.0 26.9 -23.1 60 58 A M H X S+ 0 0 67 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.950 110.9 48.5 -64.9 -48.3 -105.4 25.3 -24.0 61 59 A A H X S+ 0 0 42 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.884 111.7 52.1 -53.1 -41.2 -106.5 28.6 -25.6 62 60 A M H < S+ 0 0 2 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.958 113.7 40.4 -63.4 -51.8 -103.2 28.8 -27.5 63 61 A I H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.892 112.1 56.9 -66.5 -39.9 -103.5 25.3 -28.9 64 62 A E H >< S+ 0 0 75 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.920 100.0 59.9 -54.9 -42.8 -107.2 25.7 -29.6 65 63 A A T 3< S+ 0 0 66 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.658 100.6 55.3 -63.8 -15.5 -106.4 28.8 -31.7 66 64 A C T < S+ 0 0 33 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.3 0.499 101.6 72.2 -90.4 -4.2 -104.3 26.6 -34.1 67 65 A L S < S- 0 0 22 -3,-2.0 0, 0.0 -4,-0.3 0, 0.0 -0.890 78.7-120.1-123.7 143.2 -107.1 24.2 -34.9 68 66 A S >> - 0 0 66 -2,-0.4 4,-2.5 1,-0.1 3,-0.8 -0.431 33.7-114.4 -70.9 149.6 -110.3 24.2 -36.8 69 67 A P H 3> S+ 0 0 101 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.727 116.9 59.1 -59.1 -23.1 -113.5 23.5 -34.8 70 68 A Q H 34 S+ 0 0 129 2,-0.2 4,-0.2 1,-0.2 3,-0.1 0.852 109.0 42.8 -71.3 -37.3 -114.0 20.3 -36.8 71 69 A I H X4 S+ 0 0 47 -3,-0.8 3,-2.8 1,-0.2 4,-0.3 0.910 106.6 63.1 -71.8 -40.6 -110.6 19.0 -35.6 72 70 A L H >< S+ 0 0 43 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.759 89.8 67.2 -59.2 -24.1 -111.4 20.3 -32.1 73 71 A K T 3< S+ 0 0 140 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.723 104.8 45.4 -64.2 -20.3 -114.3 17.8 -31.9 74 72 A R T < S+ 0 0 70 -3,-2.8 -37,-3.3 -4,-0.2 2,-0.4 0.379 100.9 82.9-101.1 -0.5 -111.6 15.1 -31.9 75 73 A V E < -c 37 0A 11 -3,-1.1 2,-0.4 -4,-0.3 -37,-0.2 -0.861 54.1-170.8-112.8 138.4 -109.3 16.7 -29.4 76 74 A H E -c 38 0A 52 -39,-2.4 -37,-2.9 -2,-0.4 2,-0.4 -0.997 11.9-146.5-128.3 132.4 -109.6 16.6 -25.6 77 75 A F E +c 39 0A 35 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.832 17.7 179.3 -99.7 133.6 -107.6 18.6 -23.1 78 76 A L E -c 40 0A 15 -39,-2.8 -37,-3.6 -2,-0.4 2,-0.3 -0.986 13.1-148.9-130.7 142.8 -106.5 17.2 -19.7 79 77 A T E +c 41 0A 43 -2,-0.4 2,-0.3 -39,-0.2 -37,-0.2 -0.839 13.8 179.9-112.4 154.2 -104.5 18.8 -16.9 80 78 A V E - 0 0 5 -39,-1.8 -36,-2.5 -2,-0.3 -37,-0.2 -0.980 22.3-124.9-153.1 134.6 -102.2 17.2 -14.4 81 79 A R E -c 44 0A 25 -2,-0.3 2,-0.4 -38,-0.2 -38,-0.2 -0.123 25.4-114.5 -67.7 165.4 -100.0 18.5 -11.6 82 80 A D - 0 0 64 -38,-0.6 2,-0.3 -40,-0.1 -1,-0.1 -0.839 24.0-176.2 -94.5 144.7 -96.3 18.0 -11.2 83 81 A W > - 0 0 17 -2,-0.4 3,-2.8 1,-0.1 7,-0.2 -0.710 12.0-165.1-136.4 86.2 -95.2 15.9 -8.1 84 82 A L T 3 S+ 0 0 83 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.708 82.0 36.5 -53.5 -30.8 -91.4 16.2 -8.6 85 83 A Y T 3 S+ 0 0 78 1,-0.2 -1,-0.3 239,-0.1 2,-0.3 0.265 110.2 64.7-107.2 15.1 -90.4 13.4 -6.2 86 84 A S <> + 0 0 42 -3,-2.8 4,-1.8 1,-0.1 -1,-0.2 -0.630 44.9 165.5-139.4 85.4 -93.2 11.1 -6.9 87 85 A D H > S+ 0 0 61 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.883 80.6 59.1 -66.1 -37.2 -93.5 9.5 -10.4 88 86 A N H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 105.3 50.1 -56.8 -42.7 -95.9 6.8 -9.3 89 87 A L H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 113.0 45.7 -59.9 -50.8 -98.4 9.5 -8.2 90 88 A W H X S+ 0 0 27 -4,-1.8 4,-2.6 -7,-0.2 5,-0.2 0.952 109.8 53.8 -59.3 -52.1 -98.0 11.3 -11.5 91 89 A L H X S+ 0 0 19 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.920 110.1 48.8 -47.9 -48.8 -98.4 8.1 -13.5 92 90 A A H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.892 109.4 51.9 -59.2 -42.1 -101.6 7.3 -11.7 93 91 A A H X S+ 0 0 10 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.923 109.7 49.0 -62.4 -41.8 -103.0 10.8 -12.3 94 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.966 112.9 48.2 -62.5 -50.5 -102.3 10.6 -16.0 95 93 A Q H X S+ 0 0 19 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.8 47.3 -54.3 -50.1 -104.0 7.2 -16.1 96 94 A Q H X S+ 0 0 16 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.913 112.9 48.2 -63.0 -42.0 -107.0 8.4 -14.2 97 95 A Q H >X S+ 0 0 39 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.887 111.4 50.9 -61.0 -40.6 -107.4 11.5 -16.3 98 96 A V H >X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 3,-1.3 0.856 101.3 63.2 -67.9 -34.5 -107.1 9.5 -19.6 99 97 A L H 3X S+ 0 0 75 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.799 89.0 66.7 -65.2 -29.7 -109.8 7.1 -18.4 100 98 A K H << S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.866 116.7 28.7 -55.1 -33.8 -112.4 9.8 -18.3 101 99 A I H << S+ 0 0 40 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.828 120.5 52.4 -93.4 -40.1 -112.0 9.9 -22.1 102 100 A T H >< S- 0 0 8 -4,-2.7 3,-2.2 1,-0.1 -3,-0.2 0.717 81.8-147.8 -76.4 -26.3 -111.0 6.3 -22.9 103 101 A G T 3< S- 0 0 74 -4,-1.9 530,-0.1 1,-0.3 -4,-0.1 0.667 74.6 -58.7 61.8 15.3 -113.8 4.5 -21.1 104 102 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.354 88.3 165.4 93.7 -2.9 -111.2 1.9 -20.5 105 103 A S < - 0 0 24 -3,-2.2 -1,-0.2 1,-0.2 -3,-0.1 -0.039 32.4-152.5 -42.9 146.2 -110.3 1.2 -24.1 106 104 A N S S+ 0 0 132 1,-0.1 2,-1.4 22,-0.0 -1,-0.2 0.419 75.3 94.3-100.0 0.5 -107.1 -0.8 -24.7 107 105 A S + 0 0 32 -5,-0.1 -98,-1.6 21,-0.1 -99,-0.6 -0.681 59.7 130.9 -95.2 81.7 -106.7 0.8 -28.1 108 106 A V E -b 9 0A 1 -2,-1.4 21,-2.2 -100,-0.2 2,-0.4 -0.999 34.8-172.4-146.5 134.7 -104.4 3.6 -27.0 109 107 A V E -bd 10 129A 0 -100,-2.2 -98,-3.2 -2,-0.4 2,-0.5 -0.980 14.8-145.2-134.9 142.4 -101.1 5.0 -28.2 110 108 A V E -bd 11 130A 2 19,-2.4 21,-2.7 -2,-0.4 2,-0.4 -0.940 17.9-158.5-107.7 125.7 -98.8 7.6 -26.7 111 109 A L E +bd 12 131A 1 -100,-2.5 -98,-0.5 -2,-0.5 2,-0.3 -0.853 34.1 105.7-103.0 137.5 -97.0 9.8 -29.2 112 110 A G E - d 0 132A 4 19,-1.9 21,-1.9 -2,-0.4 2,-0.4 -0.975 56.1-100.1-176.6-165.5 -93.8 11.6 -28.4 113 111 A H - 0 0 52 -2,-0.3 2,-2.1 19,-0.2 3,-0.2 -0.994 24.2-127.8-139.5 130.0 -90.1 11.9 -28.8 114 112 A R + 0 0 122 -2,-0.4 21,-0.1 1,-0.2 3,-0.1 -0.530 45.7 161.4 -75.2 80.3 -87.4 10.8 -26.4 115 113 A K - 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