==== 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 TRANSFERASE 10-JAN-08 2JZN . COMPND 2 MOLECULE: MANNOSE-SPECIFIC PHOSPHOTRANSFERASE ENZYME IIA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.CLORE,J.HU,K.HU . 431 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.5 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 1 0 2 2 2 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 5 1 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 . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 1 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 2 A T 0 0 52 0, 0.0 58,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 174.4 17.3 -5.0 -11.3 2 3 A I - 0 0 6 102,-0.2 2,-0.2 57,-0.2 59,-0.2 -0.519 360.0-116.6 -71.2 136.2 15.9 -7.4 -8.8 3 4 A A E -a 61 0A 0 57,-2.3 59,-2.4 -2,-0.2 2,-0.4 -0.529 26.2-160.3 -78.0 144.4 12.2 -7.8 -9.3 4 5 A I E -ab 62 30A 0 25,-1.5 27,-2.5 57,-0.2 2,-0.4 -0.988 6.9-174.0-126.3 130.1 9.7 -6.7 -6.6 5 6 A V E -ab 63 31A 1 57,-2.3 59,-2.7 -2,-0.4 2,-0.5 -0.996 9.9-156.1-124.3 129.3 6.1 -7.9 -6.4 6 7 A I E +ab 64 32A 0 25,-2.4 27,-1.8 -2,-0.4 2,-0.4 -0.897 14.9 175.3-109.1 132.2 3.7 -6.4 -3.9 7 8 A G E +ab 65 33A 0 57,-2.1 59,-1.2 -2,-0.5 2,-0.3 -0.999 5.4 158.5-137.5 133.0 0.7 -8.3 -2.6 8 9 A T - 0 0 1 25,-0.8 2,-0.2 -2,-0.4 27,-0.2 -0.906 48.7 -90.5-141.6 163.8 -1.9 -7.5 0.1 9 10 A E S > S+ 0 0 15 -2,-0.3 3,-0.8 25,-0.1 27,-0.1 -0.555 101.1 2.5 -65.4 151.8 -5.5 -8.5 0.9 10 11 A G B 3 S-E 35 0B 0 25,-2.3 25,-1.8 1,-0.2 -2,-0.3 -0.431 118.2 -48.5 73.3-147.3 -7.8 -6.1 -0.8 11 12 A W T 3> S+ 0 0 104 138,-0.2 4,-0.6 23,-0.2 -1,-0.2 -0.025 96.5 107.4-121.9 25.7 -6.5 -3.3 -3.1 12 13 A A H <> + 0 0 1 -3,-0.8 4,-2.2 137,-0.2 5,-0.2 0.756 62.2 73.6 -78.9 -27.3 -3.7 -1.7 -1.1 13 14 A A H > S+ 0 0 1 20,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 96.3 50.1 -54.7 -46.5 -0.7 -3.0 -3.0 14 15 A E H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 112.9 47.5 -59.8 -40.4 -1.3 -0.7 -6.0 15 16 A Q H X S+ 0 0 29 -4,-0.6 4,-2.4 2,-0.2 131,-0.2 0.821 107.0 54.7 -70.3 -35.2 -1.6 2.3 -3.6 16 17 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 46.8 -64.1 -40.0 1.6 1.5 -1.6 17 18 A L H X S+ 0 0 14 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.946 111.6 50.9 -65.1 -43.5 3.4 1.4 -5.0 18 19 A K H X S+ 0 0 74 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.868 109.7 50.5 -61.6 -39.2 1.8 4.8 -6.0 19 20 A T H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.928 110.3 49.3 -64.0 -47.6 2.8 6.3 -2.7 20 21 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.911 110.7 49.9 -57.7 -44.7 6.4 5.1 -3.2 21 22 A E H X S+ 0 0 48 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.734 103.2 60.1 -68.0 -23.3 6.4 6.5 -6.7 22 23 A M H < S+ 0 0 51 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.881 115.1 36.6 -70.5 -32.0 5.1 9.8 -5.4 23 24 A L H < S+ 0 0 13 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.1 0.875 134.7 21.2 -84.7 -38.4 8.3 9.9 -3.3 24 25 A L H < S- 0 0 6 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.548 105.5-108.0-109.6 -12.0 10.8 8.4 -5.7 25 26 A G < - 0 0 7 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.243 65.5 -31.1 98.0 165.1 9.3 8.8 -9.3 26 27 A E - 0 0 174 -2,-0.1 2,-0.3 392,-0.1 -8,-0.0 -0.302 66.9-139.8 -58.8 139.0 7.9 6.0 -11.4 27 28 A Q - 0 0 36 -10,-0.1 3,-0.3 3,-0.0 2,-0.3 -0.763 6.9-148.1-105.9 146.8 9.5 2.6 -10.9 28 29 A E S S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.2 27,-0.0 -0.677 76.0 26.6-106.5 157.3 10.4 -0.1 -13.3 29 30 A N S S+ 0 0 30 -2,-0.3 -25,-1.5 1,-0.2 2,-0.4 0.832 87.8 124.2 59.3 41.2 10.4 -3.8 -12.7 30 31 A V E -b 4 0A 24 -3,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.993 34.2-179.6-131.1 134.5 7.7 -3.8 -10.0 31 32 A G E -b 5 0A 1 -27,-2.5 -25,-2.4 -2,-0.4 2,-0.3 -0.792 3.3-169.5-126.6 167.7 4.5 -5.7 -10.1 32 33 A W E -b 6 0A 74 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.982 4.7-160.5-156.2 157.8 1.5 -6.0 -7.8 33 34 A I E -b 7 0A 5 -27,-1.8 -25,-0.8 -2,-0.3 -20,-0.3 -0.951 10.9-138.8-136.8 159.2 -1.7 -8.1 -7.2 34 35 A D - 0 0 45 -2,-0.3 2,-0.4 -27,-0.1 -23,-0.2 -0.758 9.0-145.5-113.5 162.8 -5.0 -7.8 -5.4 35 36 A F B -E 10 0B 24 -25,-1.8 -25,-2.3 -2,-0.3 36,-0.0 -0.964 16.1-170.5-134.2 117.5 -6.8 -10.3 -3.4 36 37 A V > - 0 0 49 -2,-0.4 3,-2.3 -27,-0.1 -2,-0.0 -0.815 36.4 -92.9-108.1 145.4 -10.6 -10.3 -3.4 37 38 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.350 114.6 40.2 -57.1 136.1 -13.0 -12.4 -1.2 38 39 A G T 3 S+ 0 0 86 1,-0.5 2,-0.1 -3,-0.0 -3,-0.0 -0.012 93.0 106.5 109.5 -25.8 -13.8 -15.6 -3.0 39 40 A E < - 0 0 52 -3,-2.3 -1,-0.5 4,-0.0 2,-0.2 -0.455 52.5-159.0 -84.3 157.7 -10.3 -16.1 -4.3 40 41 A N > - 0 0 67 -2,-0.1 4,-1.9 -3,-0.1 3,-0.3 -0.697 38.8 -86.9-125.1 179.3 -8.0 -18.7 -2.9 41 42 A A H > S+ 0 0 16 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.833 124.7 58.0 -59.1 -35.2 -4.2 -19.2 -3.0 42 43 A E H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 105.3 49.6 -64.9 -36.5 -4.3 -21.0 -6.3 43 44 A T H > S+ 0 0 52 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.941 112.2 49.4 -63.9 -47.6 -5.9 -18.0 -7.9 44 45 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.846 104.0 57.6 -62.7 -37.5 -3.2 -15.8 -6.4 45 46 A I H X S+ 0 0 30 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.940 108.5 48.1 -58.6 -43.2 -0.4 -18.1 -7.6 46 47 A E H X S+ 0 0 123 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.914 110.9 50.4 -62.6 -42.7 -1.7 -17.5 -11.2 47 48 A K H X S+ 0 0 48 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.893 111.3 47.7 -61.6 -44.3 -1.9 -13.8 -10.6 48 49 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.937 111.8 51.1 -61.0 -45.6 1.7 -13.7 -9.3 49 50 A N H X S+ 0 0 65 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.891 107.4 52.3 -60.1 -40.0 2.9 -15.8 -12.3 50 51 A A H < S+ 0 0 49 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.859 111.8 47.0 -64.6 -35.6 1.2 -13.5 -14.7 51 52 A Q H >< S+ 0 0 48 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.935 109.9 52.9 -70.2 -43.6 3.0 -10.5 -13.1 52 53 A L H >< S+ 0 0 16 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.877 97.1 66.4 -59.7 -37.9 6.3 -12.4 -13.1 53 54 A A T 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.749 104.7 46.1 -54.3 -26.4 6.1 -13.1 -16.8 54 55 A K T < S+ 0 0 144 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.2 0.450 103.8 81.3 -95.5 -4.7 6.4 -9.3 -17.4 55 56 A L S < S- 0 0 25 -3,-2.2 2,-0.9 -4,-0.3 -52,-0.1 -0.672 82.6-116.4-105.9 157.5 9.3 -8.8 -15.0 56 57 A D + 0 0 69 -2,-0.2 3,-0.2 1,-0.1 -53,-0.2 -0.859 39.4 168.4 -89.3 107.9 13.0 -9.3 -15.3 57 58 A T > + 0 0 47 -2,-0.9 3,-0.5 1,-0.1 -1,-0.1 0.164 40.3 109.5-107.0 15.4 13.6 -12.0 -12.7 58 59 A T T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -57,-0.1 3,-0.1 0.830 85.4 38.0 -64.0 -34.3 17.1 -12.9 -13.7 59 60 A K T 3 S- 0 0 91 -58,-0.4 -1,-0.2 1,-0.4 2,-0.2 0.511 127.5 -83.3 -91.8 -9.4 18.7 -11.4 -10.5 60 61 A G < - 0 0 1 -3,-0.5 -57,-2.3 -59,-0.2 2,-0.4 -0.657 35.5 -99.6 131.7 172.2 15.9 -12.6 -8.3 61 62 A V E -ac 3 86A 0 24,-2.7 26,-2.1 -2,-0.2 2,-0.5 -0.998 18.2-165.0-139.5 130.2 12.4 -11.8 -7.0 62 63 A L E -ac 4 87A 0 -59,-2.4 -57,-2.3 -2,-0.4 2,-0.6 -0.976 9.0-157.7-115.9 113.4 11.3 -10.3 -3.7 63 64 A F E -ac 5 88A 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.6 -0.885 6.3-163.4 -90.7 122.2 7.7 -10.6 -2.8 64 65 A L E +ac 6 89A 0 -59,-2.7 -57,-2.1 -2,-0.6 2,-0.3 -0.949 18.0 178.3-109.5 115.2 6.6 -7.9 -0.3 65 66 A V E -ac 7 90A 0 24,-2.7 27,-2.2 -2,-0.6 26,-0.5 -0.769 36.0-117.5-119.9 163.3 3.3 -8.9 1.4 66 67 A D S S+ 0 0 1 -59,-1.2 25,-0.8 -2,-0.3 2,-0.3 0.959 85.0 2.7 -64.9 -54.0 1.1 -7.4 4.0 67 68 A T S > S- 0 0 22 23,-0.2 3,-1.4 24,-0.1 6,-0.3 -0.982 73.5-101.1-142.2 151.4 1.1 -10.1 6.8 68 69 A W T 3 S+ 0 0 128 -2,-0.3 193,-0.0 1,-0.2 191,-0.0 -0.423 105.0 14.0 -66.3 134.5 2.6 -13.3 7.8 69 70 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.395 91.3 123.1 84.7 -8.1 0.2 -16.2 7.1 70 71 A G S <> S- 0 0 11 -3,-1.4 4,-3.3 1,-0.1 -1,-0.2 -0.318 79.2 -95.8 -79.2 174.9 -2.4 -14.6 5.0 71 72 A S H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.893 125.5 53.9 -57.2 -47.8 -3.4 -15.8 1.5 72 73 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.929 114.3 43.7 -53.5 -41.6 -1.0 -13.4 -0.3 73 74 A F H > S+ 0 0 8 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.944 113.5 50.6 -67.3 -48.3 1.8 -14.7 1.9 74 75 A N H X S+ 0 0 77 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.891 111.7 46.2 -60.1 -42.7 0.8 -18.4 1.5 75 76 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.917 112.8 49.2 -66.4 -43.6 0.6 -18.2 -2.3 76 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 3,-0.4 0.897 107.4 57.9 -62.0 -38.8 4.0 -16.3 -2.5 77 78 A S H X S+ 0 0 13 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.835 102.2 53.5 -58.7 -39.8 5.5 -19.0 -0.2 78 79 A R H < S+ 0 0 161 -4,-1.4 -1,-0.2 -3,-0.2 4,-0.2 0.825 110.2 48.2 -67.3 -29.5 4.5 -21.7 -2.6 79 80 A I H < S+ 0 0 7 -4,-1.2 3,-0.4 -3,-0.4 -2,-0.2 0.904 113.3 43.9 -77.1 -42.2 6.3 -20.0 -5.5 80 81 A V H >< S+ 0 0 8 -4,-2.1 3,-2.3 1,-0.2 6,-0.2 0.715 82.4 109.3 -80.2 -16.7 9.6 -19.2 -3.8 81 82 A V T 3< S+ 0 0 81 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.625 95.5 8.4 -29.3 -56.0 10.0 -22.7 -2.1 82 83 A D T 3 S+ 0 0 145 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.3 -0.074 102.8 115.1-125.5 39.4 12.9 -24.2 -4.1 83 84 A K X - 0 0 94 -3,-2.3 3,-0.9 3,-0.1 2,-0.2 -0.921 61.7-130.5-112.3 133.6 13.9 -21.2 -6.0 84 85 A E T 3 S+ 0 0 159 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.548 92.3 15.6 -78.4 141.5 17.2 -19.4 -5.6 85 86 A H T 3 S+ 0 0 79 -2,-0.2 -24,-2.7 1,-0.2 2,-0.4 0.824 97.2 119.1 62.7 33.7 17.0 -15.7 -5.2 86 87 A Y E < +c 61 0A 46 -3,-0.9 2,-0.3 -26,-0.2 -1,-0.2 -0.999 34.6 164.9-127.5 130.9 13.3 -15.7 -4.3 87 88 A E E -c 62 0A 15 -26,-2.1 -24,-2.9 -2,-0.4 2,-0.4 -0.959 28.0-145.0-146.6 154.7 12.1 -14.5 -1.0 88 89 A V E -c 63 0A 0 -2,-0.3 174,-2.6 -26,-0.2 2,-0.5 -0.996 15.2-172.4-121.7 128.5 8.9 -13.4 0.8 89 90 A I E -cD 64 261A 0 -26,-2.7 -24,-2.7 -2,-0.4 3,-0.3 -0.988 9.6-154.5-124.2 119.5 9.0 -10.6 3.4 90 91 A A E +cD 65 260A 0 170,-2.7 170,-0.8 -2,-0.5 -24,-0.2 -0.450 67.6 49.1 -84.4 163.3 5.8 -9.8 5.4 91 92 A G S S- 0 0 0 -25,-0.8 -25,-0.2 -26,-0.5 -1,-0.2 0.713 71.1-168.6 81.7 24.6 4.9 -6.5 7.0 92 93 A V + 0 0 6 -27,-2.2 136,-0.5 -3,-0.3 2,-0.3 -0.121 13.5 166.2 -48.8 132.7 5.5 -4.3 4.0 93 94 A N > - 0 0 2 134,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.873 49.8 -96.6-141.9 169.6 5.5 -0.5 4.9 94 95 A I H > S+ 0 0 4 132,-0.5 4,-3.0 -2,-0.3 5,-0.3 0.907 119.9 54.1 -60.2 -43.4 6.5 2.6 3.1 95 96 A P H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.951 112.0 46.6 -57.5 -42.9 10.0 2.9 4.8 96 97 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 114.4 46.9 -61.6 -48.9 10.8 -0.7 3.6 97 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 114.6 45.6 -60.4 -48.1 9.5 0.0 0.1 98 99 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.930 116.1 44.0 -61.5 -49.8 11.4 3.3 -0.3 99 100 A E H X S+ 0 0 36 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.910 115.7 49.0 -63.7 -40.5 14.7 2.1 1.1 100 101 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.917 112.0 47.1 -66.2 -46.1 14.5 -1.1 -1.0 101 102 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.883 113.2 50.3 -64.5 -37.8 13.6 0.6 -4.2 102 103 A M H >< S+ 0 0 8 -4,-2.2 3,-0.7 -5,-0.2 4,-0.3 0.940 112.8 44.5 -66.1 -45.7 16.5 3.1 -3.6 103 104 A A H >< S+ 0 0 13 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.825 99.5 72.3 -67.8 -33.9 19.1 0.4 -2.9 104 105 A R H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.805 90.5 59.2 -52.6 -32.6 18.0 -1.7 -5.8 105 106 A D T << S+ 0 0 88 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.726 94.4 62.6 -73.6 -19.6 19.5 0.7 -8.3 106 107 A D T < S- 0 0 134 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.221 113.2-118.7 -90.7 18.2 23.0 0.3 -6.9 107 108 A D < - 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0 0 0 25,-0.8 27,-0.3 -2,-0.4 2,-0.2 -0.927 48.5 -88.3-145.9 160.1 0.1 8.6 4.1 143 10 B E S > S- 0 0 8 -2,-0.3 3,-0.8 25,-0.1 2,-0.3 -0.559 100.9 -3.4 -66.2 144.0 1.5 10.4 1.0 144 11 B G B 3 S-J 169 0D 0 25,-2.2 25,-1.7 -2,-0.2 -2,-0.2 -0.557 119.4 -43.7 77.5-141.9 -1.0 9.9 -1.8 145 12 B W T 3> S+ 0 0 105 -2,-0.3 4,-0.7 -130,-0.2 -1,-0.2 0.027 97.0 106.8-123.6 25.7 -4.1 7.7 -1.4 146 13 B A H <> + 0 0 1 -3,-0.8 4,-2.2 -131,-0.2 5,-0.2 0.757 62.9 73.6 -79.0 -27.2 -2.9 4.6 0.5 147 14 B A H > S+ 0 0 0 20,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 96.3 50.1 -54.7 -46.4 -4.4 5.4 3.9 148 15 B E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 112.9 47.5 -59.8 -40.3 -8.0 4.6 2.8 149 16 B Q H X S+ 0 0 31 -4,-0.7 4,-2.4 2,-0.2 -137,-0.2 0.822 107.0 54.7 -70.2 -35.5 -6.8 1.3 1.3 150 17 B L H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.5 46.8 -64.0 -39.9 -4.8 0.2 4.4 151 18 B L H X S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.946 111.6 50.9 -65.2 -43.4 -8.0 0.7 6.4 152 19 B K H X S+ 0 0 76 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.868 109.7 50.5 -61.6 -39.1 -10.0 -1.2 3.8 153 20 B T H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.927 110.3 49.3 -63.9 -47.6 -7.5 -4.0 4.0 154 21 B A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.911 110.7 49.9 -57.7 -44.7 -7.8 -4.1 7.7 155 22 B E H X S+ 0 0 49 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.735 103.2 60.1 -68.0 -23.2 -11.6 -4.1 7.6 156 23 B M H < S+ 0 0 75 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.881 115.1 36.6 -70.7 -31.9 -11.4 -7.0 5.1 157 24 B L H < S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.1 0.876 134.7 21.2 -84.8 -38.3 -9.6 -8.9 7.9 158 25 B L H < S- 0 0 61 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.549 105.5-108.1-109.7 -12.0 -11.5 -7.6 10.9 159 26 B G < - 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