==== 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 27-OCT-06 2NPN . COMPND 2 MOLECULE: PUTATIVE COBALAMIN SYNTHESIS RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR B.NOCEK,M.ZHOU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 239 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.2 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 0 2 0 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 1 1 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 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 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 A A 0 0 123 0, 0.0 2,-0.3 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 -96.2 45.9 50.7 10.4 2 1 A X - 0 0 101 89,-0.1 121,-0.2 119,-0.0 2,-0.1 -0.992 360.0-113.8-139.4 156.2 48.2 48.2 12.2 3 2 A R E -a 123 0A 33 119,-1.4 121,-2.6 -2,-0.3 2,-0.5 -0.377 25.7-126.8 -78.2 159.5 47.7 45.2 14.4 4 3 A T E -ab 124 93A 30 88,-2.4 90,-2.4 119,-0.2 2,-0.6 -0.956 15.9-161.0-103.6 129.4 48.7 45.0 18.1 5 4 A I E -ab 125 94A 0 119,-2.3 121,-2.8 -2,-0.5 2,-0.5 -0.962 7.4-161.2-109.4 108.6 50.9 42.2 19.2 6 5 A Y E -ab 126 95A 44 88,-3.0 90,-3.1 -2,-0.6 2,-0.7 -0.798 4.4-159.9 -86.0 132.5 50.7 41.7 23.0 7 6 A V E -ab 127 96A 0 119,-2.8 121,-3.1 -2,-0.5 2,-0.6 -0.952 21.9-165.4-113.1 106.5 53.6 39.8 24.4 8 7 A I E -ab 128 97A 0 88,-3.1 90,-2.6 -2,-0.7 2,-0.4 -0.854 20.1-145.7-111.4 118.6 52.1 38.6 27.7 9 8 A G E - b 0 98A 1 119,-2.8 10,-0.3 -2,-0.6 90,-0.2 -0.596 13.5-171.1 -73.7 128.5 54.0 37.2 30.7 10 9 A I - 0 0 2 88,-2.6 89,-0.2 -2,-0.4 7,-0.2 0.247 33.2-124.6-109.6 14.6 51.7 34.6 32.3 11 10 A G B -E 100 0B 1 89,-1.6 89,-2.4 87,-0.4 2,-0.4 -0.255 32.2 -63.6 78.0-164.4 53.7 33.9 35.4 12 11 A T S S- 0 0 4 2,-0.2 2,-0.7 87,-0.2 5,-0.1 -0.982 92.3 -26.9-136.4 114.0 55.1 30.7 36.9 13 12 A G S S+ 0 0 8 -2,-0.4 187,-0.2 185,-0.1 185,-0.1 0.019 114.4 58.6 81.5 -31.0 53.2 27.7 38.1 14 13 A S > - 0 0 20 -2,-0.7 3,-1.6 185,-0.1 -2,-0.2 -0.999 67.2-135.5-142.5 138.5 49.8 29.3 39.1 15 14 A P G > S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.712 100.5 74.7 -59.5 -20.7 46.9 31.3 37.6 16 15 A E G 3 S+ 0 0 149 1,-0.3 -5,-0.1 -3,-0.0 -3,-0.0 0.676 84.8 64.5 -67.8 -20.0 46.9 33.5 40.8 17 16 A F G < S+ 0 0 40 -3,-1.6 114,-0.4 -7,-0.2 -1,-0.3 0.541 75.1 115.1 -82.8 -6.8 50.1 35.3 39.5 18 17 A L < - 0 0 21 -3,-1.4 2,-0.2 -4,-0.2 -8,-0.1 -0.399 61.8-133.8 -62.3 136.4 48.4 36.8 36.5 19 18 A T > - 0 0 48 -10,-0.3 4,-2.5 110,-0.2 5,-0.2 -0.552 18.7-115.4 -84.9 159.0 48.2 40.6 36.5 20 19 A L H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 119.1 54.7 -54.2 -40.6 45.1 42.6 35.6 21 20 A Q H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 107.6 48.9 -61.5 -44.9 47.0 44.0 32.6 22 21 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 110.5 50.7 -61.4 -43.3 47.7 40.4 31.4 23 22 A I H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 109.9 50.2 -64.5 -43.0 44.1 39.4 31.8 24 23 A S H X S+ 0 0 58 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.915 110.9 49.6 -60.7 -42.6 42.9 42.4 29.8 25 24 A G H X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.932 111.4 48.5 -62.4 -43.3 45.4 41.6 27.0 26 25 A L H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.905 111.7 49.8 -62.2 -44.2 44.2 38.0 26.9 27 26 A R H < S+ 0 0 180 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.6 46.8 -69.2 -27.6 40.5 39.0 26.8 28 27 A H H < S+ 0 0 123 -4,-1.7 65,-0.2 -3,-0.2 2,-0.2 0.604 88.0 106.0 -89.5 -10.5 41.1 41.5 24.0 29 28 A A < - 0 0 6 -4,-1.2 65,-0.2 -3,-0.4 3,-0.1 -0.482 51.9-163.2 -74.0 133.2 43.2 39.1 21.8 30 29 A Q S S+ 0 0 103 63,-2.6 2,-0.3 -2,-0.2 64,-0.2 0.518 82.1 23.8 -85.8 -13.3 41.4 37.8 18.7 31 30 A A E -c 94 0A 5 62,-0.7 64,-2.4 26,-0.1 2,-0.4 -0.968 68.7-152.0-150.2 149.7 44.2 35.1 18.5 32 31 A I E -cd 95 59A 0 26,-0.8 28,-2.9 -2,-0.3 2,-0.3 -0.987 13.4-177.3-127.8 131.1 46.6 33.5 20.9 33 32 A V E -cd 96 60A 2 62,-3.0 64,-2.6 -2,-0.4 2,-0.4 -0.935 6.4-171.2-125.3 147.9 50.1 32.1 20.0 34 33 A A E -cd 97 61A 0 26,-2.4 28,-3.0 -2,-0.3 2,-0.6 -0.983 14.9-146.9-139.8 129.4 52.7 30.3 22.1 35 34 A L E d 0 62A 29 62,-0.5 28,-0.2 -2,-0.4 73,-0.1 -0.861 360.0 360.0 -94.7 120.5 56.2 29.5 20.9 36 35 A D 0 0 63 26,-3.3 28,-0.4 -2,-0.6 -2,-0.0 -0.818 360.0 360.0-112.2 360.0 57.3 26.2 22.6 37 ! 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 38 39 A Q 0 0 174 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 171.5 57.3 18.4 25.6 39 40 A K >> - 0 0 75 1,-0.1 4,-2.1 2,-0.0 3,-0.6 -0.857 360.0-173.8-126.7 92.5 56.0 19.3 29.1 40 41 A S H 3> S+ 0 0 68 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.844 84.7 57.3 -55.3 -40.0 52.4 18.1 29.3 41 42 A D H 3> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.878 108.9 46.9 -57.5 -41.8 51.9 19.7 32.8 42 43 A L H <> S+ 0 0 21 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.914 109.6 51.0 -69.9 -44.6 52.9 23.0 31.3 43 44 A L H X S+ 0 0 73 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 112.9 48.7 -56.1 -42.9 50.6 22.8 28.3 44 45 A A H X S+ 0 0 66 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 111.1 48.2 -65.2 -42.9 47.8 21.9 30.7 45 46 A L H X S+ 0 0 31 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.895 112.6 49.6 -63.3 -42.0 48.5 24.8 33.1 46 47 A R H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.914 110.0 49.3 -66.4 -42.7 48.7 27.2 30.2 47 48 A Q H X S+ 0 0 73 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.878 108.0 55.9 -62.8 -36.5 45.4 26.0 28.8 48 49 A K H X S+ 0 0 92 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.880 106.8 49.8 -63.4 -39.1 43.8 26.4 32.2 49 50 A I H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.955 115.0 42.7 -63.1 -47.9 44.9 30.1 32.3 50 51 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.873 111.3 55.3 -65.5 -41.5 43.4 30.7 28.8 51 52 A D H < S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 112.3 45.3 -59.0 -36.2 40.2 28.7 29.7 52 53 A T H < S+ 0 0 83 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 129.5 18.1 -76.4 -44.0 39.7 30.9 32.7 53 54 A H H < S+ 0 0 42 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.828 135.2 28.5-104.8 -36.3 40.3 34.3 31.2 54 55 A A S >< S+ 0 0 4 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 -0.451 77.4 176.9-120.7 55.8 40.0 34.0 27.4 55 56 A P T 3 + 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.329 66.5 33.7 -60.9 148.6 37.6 31.2 27.1 56 57 A G T 3 S+ 0 0 81 1,-0.2 -5,-0.1 0, 0.0 -6,-0.0 0.647 91.8 108.5 82.3 18.6 36.7 30.5 23.5 57 58 A T < - 0 0 28 -3,-1.1 -1,-0.2 -7,-0.1 -3,-0.1 -0.955 62.5-139.7-127.8 110.1 40.1 31.4 22.1 58 59 A P - 0 0 86 0, 0.0 -26,-0.8 0, 0.0 2,-0.6 -0.351 15.0-125.1 -66.4 148.2 42.3 28.5 20.8 59 60 A I E -d 32 0A 31 -28,-0.1 2,-1.0 -26,-0.0 -26,-0.2 -0.866 12.8-149.9 -93.1 123.5 46.0 28.6 21.6 60 61 A Y E -d 33 0A 52 -28,-2.9 -26,-2.4 -2,-0.6 2,-0.6 -0.835 19.5-165.5 -88.6 97.0 48.2 28.2 18.4 61 62 A A E -d 34 0A 46 -2,-1.0 2,-0.6 -28,-0.2 -26,-0.2 -0.805 4.6-157.6 -94.7 119.5 51.2 26.5 19.8 62 63 A V E -d 35 0A 8 -28,-3.0 -26,-3.3 -2,-0.6 2,-0.3 -0.891 15.0-178.3 -99.9 122.0 54.3 26.5 17.6 63 64 A T 0 0 90 -2,-0.6 -28,-0.0 -28,-0.2 -2,-0.0 -0.803 360.0 360.0-120.1 157.8 56.8 23.7 18.2 64 65 A D 0 0 145 -28,-0.4 -1,-0.1 -2,-0.3 5,-0.0 -0.163 360.0 360.0 -76.3 360.0 60.2 22.9 16.6 65 ! 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 66 76 A E > 0 0 162 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-131.2 73.0 23.5 11.5 67 77 A E H > + 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.786 360.0 66.5 -62.2 -28.9 71.3 24.6 8.2 68 78 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 97.9 50.3 -64.8 -40.8 68.1 23.0 9.5 69 79 A V H > S+ 0 0 73 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.916 111.3 48.1 -62.8 -43.8 67.7 25.5 12.3 70 80 A R H X S+ 0 0 200 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.891 113.0 49.6 -64.4 -39.3 68.1 28.4 10.0 71 81 A R H X S+ 0 0 139 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 109.7 51.1 -62.8 -45.6 65.6 26.8 7.6 72 82 A W H X S+ 0 0 62 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.910 106.5 54.5 -59.8 -43.8 63.1 26.3 10.4 73 83 A H H X S+ 0 0 69 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.893 109.7 46.7 -60.7 -39.2 63.4 29.9 11.5 74 84 A A H X S+ 0 0 49 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.925 115.7 45.2 -66.0 -45.4 62.5 31.2 8.0 75 85 A E H X S+ 0 0 94 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 112.1 51.9 -65.0 -43.7 59.6 28.8 7.8 76 86 A R H X S+ 0 0 28 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.888 108.0 53.2 -57.7 -39.8 58.4 29.6 11.4 77 87 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.938 110.6 45.2 -63.0 -45.0 58.5 33.3 10.4 78 88 A H H X S+ 0 0 96 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.904 113.6 51.4 -64.0 -42.8 56.2 32.8 7.4 79 89 A L H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.896 111.3 46.7 -58.6 -48.2 53.9 30.5 9.5 80 90 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 113.7 47.1 -64.5 -45.4 53.5 33.1 12.2 81 91 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.925 114.2 46.8 -65.5 -43.1 52.9 36.0 9.9 82 92 A S H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.904 112.6 50.1 -63.4 -42.7 50.3 34.1 7.8 83 93 A T H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.913 111.1 49.2 -63.2 -43.3 48.6 32.9 11.0 84 94 A I H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.936 112.6 46.4 -62.7 -47.4 48.4 36.4 12.4 85 95 A R H < S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.5 47.0 -66.5 -32.8 47.0 37.9 9.2 86 96 A E H < S+ 0 0 147 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.865 117.9 39.7 -73.2 -38.9 44.4 35.0 8.9 87 97 A R H < S+ 0 0 106 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.434 116.1 45.0 -99.7 -3.9 43.2 35.1 12.5 88 98 A T S < S- 0 0 5 -4,-1.2 -1,-0.1 -5,-0.1 6,-0.1 -0.999 79.7-119.0-137.9 143.4 43.1 38.8 13.1 89 99 A P > - 0 0 61 0, 0.0 3,-2.6 0, 0.0 -59,-0.1 -0.230 44.9 -91.1 -71.7 172.0 41.8 41.8 11.1 90 100 A D T 3 S+ 0 0 101 1,-0.3 -5,-0.0 -87,-0.1 -2,-0.0 0.681 130.8 36.8 -63.5 -20.2 44.1 44.5 10.0 91 101 A D T 3 S+ 0 0 112 -90,-0.1 -1,-0.3 -88,-0.1 -89,-0.1 0.106 102.2 114.0-109.0 15.3 43.3 46.5 13.2 92 102 A G < - 0 0 2 -3,-2.6 -88,-2.4 -89,-0.1 2,-0.4 -0.045 60.2-117.6 -86.7-175.0 43.1 43.4 15.4 93 103 A A E -b 4 0A 11 -65,-0.2 -63,-2.6 -90,-0.2 -62,-0.7 -0.979 17.3-171.1-132.3 136.4 45.1 42.0 18.3 94 104 A V E -bc 5 31A 0 -90,-2.4 -88,-3.0 -2,-0.4 2,-0.5 -0.956 13.0-149.4-120.1 143.1 47.1 38.9 18.8 95 105 A A E -bc 6 32A 0 -64,-2.4 -62,-3.0 -2,-0.4 2,-0.5 -0.973 2.1-158.9-112.3 130.4 48.6 37.7 22.1 96 106 A F E -bc 7 33A 0 -90,-3.1 -88,-3.1 -2,-0.5 2,-0.4 -0.918 18.9-140.0 -99.6 131.2 51.8 35.7 22.5 97 107 A L E -bc 8 34A 6 -64,-2.6 -62,-0.5 -2,-0.5 2,-0.4 -0.772 21.5-178.4 -95.7 135.4 52.0 33.8 25.8 98 108 A V E -b 9 0A 3 -90,-2.6 -88,-2.6 -2,-0.4 -87,-0.4 -0.995 29.4-116.8-133.7 128.5 55.4 33.7 27.6 99 109 A W S S- 0 0 50 -2,-0.4 2,-0.3 -90,-0.2 -87,-0.2 -0.383 83.5 -15.5 -63.1 138.4 56.1 31.9 30.9 100 110 A G B S-E 11 0B 0 -89,-2.4 -89,-1.6 142,-0.3 32,-0.2 -0.522 127.6 -14.3 75.1-124.4 57.1 34.3 33.7 101 111 A D > - 0 0 23 -2,-0.3 3,-1.3 -92,-0.2 32,-0.1 -0.917 60.8-132.0-110.8 140.4 58.2 37.7 32.3 102 112 A P T 3 S+ 0 0 2 0, 0.0 7,-0.4 0, 0.0 4,-0.2 0.716 101.7 60.9 -63.6 -20.0 58.9 38.2 28.6 103 113 A S T 3 S+ 0 0 92 2,-0.1 2,-0.7 1,-0.1 3,-0.2 0.676 87.7 83.0 -77.9 -18.5 62.1 40.0 29.3 104 114 A L S < S- 0 0 32 -3,-1.3 -3,-0.2 1,-0.2 -1,-0.1 -0.801 112.7 -38.8-109.8 113.1 64.0 37.2 31.1 105 115 A Y S S+ 0 0 83 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.899 102.0 122.2 41.9 53.7 65.8 34.3 29.3 106 116 A D - 0 0 42 -4,-0.2 4,-0.3 -3,-0.2 3,-0.2 -0.998 52.7-157.2-144.2 141.2 63.1 34.1 26.7 107 117 A S > + 0 0 45 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.450 66.4 100.1 -98.4 -3.5 63.4 34.4 22.9 108 118 A T H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 83.2 48.2 -55.2 -45.3 59.8 35.3 22.0 109 119 A L H > S+ 0 0 46 -7,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.935 113.8 47.8 -62.9 -43.4 60.4 39.1 21.6 110 120 A R H > S+ 0 0 171 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.906 111.9 49.8 -60.0 -46.0 63.5 38.5 19.4 111 121 A I H X S+ 0 0 19 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.923 110.8 49.8 -60.6 -44.0 61.5 36.0 17.3 112 122 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.914 110.8 49.1 -62.3 -42.5 58.7 38.5 16.9 113 123 A E H X S+ 0 0 57 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.925 113.2 46.2 -65.1 -43.0 61.0 41.3 15.8 114 124 A H H X S+ 0 0 108 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.932 113.6 50.0 -60.5 -48.2 62.8 39.0 13.3 115 125 A X H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 6,-0.3 0.912 108.2 51.8 -60.4 -46.0 59.4 37.8 11.9 116 126 A R H X>S+ 0 0 67 -4,-2.7 5,-1.6 1,-0.2 4,-0.7 0.895 113.1 45.7 -58.7 -43.5 58.0 41.3 11.5 117 127 A N H <5S+ 0 0 129 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 116.7 43.0 -66.1 -42.3 61.1 42.4 9.5 118 128 A L H <5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 123.5 35.7 -74.5 -35.8 61.2 39.3 7.3 119 129 A E H <5S- 0 0 42 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.359 103.9-123.3-102.8 4.3 57.4 39.1 6.6 120 130 A D T <5 + 0 0 112 -4,-0.7 2,-0.8 1,-0.2 -3,-0.2 0.913 46.5 173.3 51.8 48.2 56.8 42.9 6.5 121 131 A L < - 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