==== 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 28-NOV-05 2F67 . COMPND 2 MOLECULE: NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR J.BOSCH,M.A.ROBIEN,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGEN . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 4 1.3 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 2 0 0 0 0 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 PARALLEL BRIDGES PER LADDER . 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 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 3 A H 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.0 -6.6 16.9 2.8 2 4 A H + 0 0 181 1,-0.1 2,-0.1 2,-0.0 3,-0.1 0.896 360.0 176.5 41.0 53.1 -3.9 17.6 5.4 3 5 A H - 0 0 157 1,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.457 41.3 -86.3 -73.2 153.4 -3.6 14.0 6.4 4 6 A H - 0 0 176 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.386 44.3-150.9 -58.2 137.6 -1.0 13.0 9.0 5 7 A H - 0 0 121 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.0 -0.978 6.1-137.8-118.4 121.9 2.3 12.3 7.3 6 8 A H - 0 0 80 -2,-0.5 2,-0.6 1,-0.0 -2,-0.0 -0.608 10.5-147.9 -76.6 129.5 4.7 9.8 8.8 7 9 A X - 0 0 66 -2,-0.4 32,-0.1 151,-0.1 31,-0.1 -0.891 24.1-120.6 -95.5 124.6 8.4 10.8 8.7 8 10 A R - 0 0 18 -2,-0.6 32,-3.2 30,-0.5 2,-0.4 -0.348 29.8-159.8 -65.0 144.1 10.6 7.8 8.4 9 11 A K E -a 40 0A 44 30,-0.2 58,-2.9 56,-0.1 59,-1.4 -0.992 9.9-166.3-133.4 135.0 13.1 7.3 11.2 10 12 A I E -ab 41 68A 0 30,-2.5 32,-3.2 -2,-0.4 2,-0.4 -0.984 18.4-136.8-124.9 125.2 16.3 5.3 11.4 11 13 A Y E -ab 42 69A 0 57,-2.4 59,-2.4 -2,-0.5 2,-1.1 -0.682 17.9-143.2 -78.7 128.8 18.1 4.4 14.6 12 14 A I E - b 0 70A 1 30,-2.7 2,-0.3 -2,-0.4 59,-0.2 -0.734 25.7-178.2-102.2 85.3 21.9 5.0 14.1 13 15 A A E + b 0 71A 0 57,-1.4 59,-2.5 -2,-1.1 72,-0.1 -0.642 25.6 89.5 -89.1 138.6 23.5 2.1 16.0 14 16 A G S > S- 0 0 5 -2,-0.3 3,-1.0 57,-0.2 59,-0.1 -0.718 78.9 -82.7 151.0 162.9 27.3 1.8 16.3 15 17 A P G > S+ 0 0 12 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.315 87.1 106.0 -77.2 9.9 30.5 2.6 18.1 16 18 A A G > + 0 0 6 1,-0.3 3,-2.2 2,-0.2 10,-0.1 0.822 68.7 73.8 -53.2 -31.5 31.0 6.0 16.5 17 19 A V G < S+ 0 0 32 -3,-1.0 -1,-0.3 1,-0.3 7,-0.1 0.738 91.1 56.3 -52.9 -25.6 29.9 7.4 19.9 18 20 A F G < S+ 0 0 19 -3,-2.2 264,-3.0 4,-0.1 -1,-0.3 0.437 79.9 113.3 -93.5 -0.5 33.4 6.3 21.2 19 21 A N S X S- 0 0 53 -3,-2.2 3,-2.5 -4,-0.2 5,-0.1 -0.308 88.1-103.5 -57.8 153.8 35.4 8.4 18.7 20 22 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 261,-0.0 0.849 125.8 50.9 -49.3 -35.9 37.3 11.3 20.3 21 23 A D T > S- 0 0 65 -5,-0.1 3,-1.6 1,-0.0 -2,-0.1 0.195 119.4-111.5 -88.3 15.6 34.6 13.7 18.9 22 24 A X T < S- 0 0 84 -3,-2.5 -4,-0.1 1,-0.3 23,-0.1 0.704 73.9 -57.2 57.8 23.9 31.9 11.5 20.5 23 25 A G T 3> S+ 0 0 0 -7,-0.1 4,-3.1 -8,-0.1 5,-0.3 0.454 97.1 137.7 92.8 4.4 30.8 10.6 16.9 24 26 A A H <> S+ 0 0 42 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.887 72.6 47.7 -48.8 -51.1 30.2 14.1 15.7 25 27 A S H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 116.5 44.1 -61.2 -42.0 31.8 13.6 12.2 26 28 A Y H > S+ 0 0 37 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.958 115.8 46.2 -65.7 -52.9 29.9 10.3 11.7 27 29 A Y H X S+ 0 0 6 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.867 110.3 54.0 -61.4 -38.1 26.6 11.6 12.9 28 30 A N H X S+ 0 0 94 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.910 109.2 48.0 -62.3 -41.3 27.0 14.8 10.8 29 31 A K H X S+ 0 0 134 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.906 113.9 47.9 -63.2 -41.3 27.6 12.7 7.7 30 32 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.927 110.0 52.3 -63.4 -47.4 24.5 10.6 8.6 31 33 A R H X S+ 0 0 95 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.914 110.8 47.0 -56.5 -47.0 22.4 13.8 9.2 32 34 A E H X S+ 0 0 125 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.890 113.2 48.4 -63.8 -42.4 23.3 15.3 5.8 33 35 A L H < S+ 0 0 45 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.914 116.1 42.7 -64.6 -45.4 22.6 12.0 3.9 34 36 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.4 0.834 103.6 65.6 -73.8 -33.3 19.2 11.4 5.6 35 37 A K H ><5S+ 0 0 172 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.880 94.6 60.7 -53.9 -40.3 18.1 15.1 5.4 36 38 A K T 3<5S+ 0 0 144 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 110.7 39.7 -61.9 -23.3 18.0 14.8 1.5 37 39 A E T < 5S- 0 0 90 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.203 113.7-111.4-113.1 11.1 15.4 12.0 1.8 38 40 A N T < 5S+ 0 0 80 -3,-1.6 -30,-0.5 1,-0.2 2,-0.4 0.868 70.5 143.4 57.2 38.4 13.3 13.5 4.6 39 41 A V < - 0 0 3 -5,-2.2 -1,-0.2 -8,-0.1 -30,-0.2 -0.910 45.9-135.1-107.2 137.4 14.4 10.7 6.9 40 42 A X E -a 9 0A 68 -32,-3.2 -30,-2.5 -2,-0.4 2,-0.4 -0.822 11.7-140.7 -95.6 124.9 15.0 11.4 10.6 41 43 A P E -a 10 0A 20 0, 0.0 2,-0.8 0, 0.0 -30,-0.2 -0.689 5.2-151.4 -78.1 130.6 18.2 10.0 12.3 42 44 A L E -a 11 0A 26 -32,-3.2 -30,-2.7 -2,-0.4 24,-0.0 -0.926 22.4-164.2-100.6 105.8 17.6 8.7 15.8 43 45 A I > - 0 0 0 -2,-0.8 3,-2.3 -32,-0.2 -30,-0.1 -0.819 23.6-133.1-104.6 129.3 21.1 9.2 17.3 44 46 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.735 105.3 47.5 -48.8 -32.7 22.2 7.6 20.6 45 47 A T T > S+ 0 0 27 -23,-0.1 3,-1.4 3,-0.1 2,-0.1 0.430 79.7 125.1 -93.2 -1.1 23.7 10.8 22.0 46 48 A D T < S- 0 0 53 -3,-2.3 3,-0.2 1,-0.3 -4,-0.0 -0.401 90.9 -8.6 -64.4 132.0 20.7 13.1 21.2 47 49 A N T 3 S- 0 0 164 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.839 96.2-154.9 48.5 42.7 19.4 14.9 24.3 48 50 A E < - 0 0 82 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.1 -0.183 4.4-144.3 -61.3 127.7 21.8 12.7 26.4 49 51 A A - 0 0 37 -3,-0.2 -1,-0.1 2,-0.1 3,-0.0 -0.191 13.1-127.5 -76.9 176.0 20.9 12.0 30.0 50 52 A T S S+ 0 0 125 -2,-0.0 2,-0.4 5,-0.0 -1,-0.1 0.703 84.0 76.4-101.0 -24.4 23.4 11.7 32.8 51 53 A E S >> S- 0 0 123 1,-0.1 4,-2.3 2,-0.0 3,-0.8 -0.762 76.7-133.9 -95.9 134.3 22.3 8.4 34.3 52 54 A A H 3> S+ 0 0 15 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.885 105.7 51.4 -50.7 -47.5 23.2 5.1 32.6 53 55 A L H 3> S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.826 110.0 50.0 -63.3 -32.4 19.7 3.6 33.0 54 56 A D H <> S+ 0 0 81 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.898 110.7 48.6 -72.5 -42.7 18.2 6.8 31.5 55 57 A I H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 113.7 48.1 -58.7 -48.7 20.5 6.7 28.5 56 58 A R H X S+ 0 0 20 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.927 111.4 49.1 -58.4 -47.2 19.7 3.0 28.0 57 59 A Q H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 110.1 51.1 -63.1 -39.9 16.0 3.5 28.3 58 60 A K H X S+ 0 0 141 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.883 110.9 48.6 -65.9 -37.9 16.0 6.4 25.8 59 61 A N H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 110.0 50.9 -68.4 -41.7 18.0 4.3 23.2 60 62 A I H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.912 110.0 51.4 -59.0 -42.2 15.6 1.4 23.6 61 63 A Q H X S+ 0 0 78 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.905 105.3 55.0 -62.5 -42.2 12.7 3.8 23.0 62 64 A X H X S+ 0 0 27 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.903 108.6 48.9 -56.9 -42.1 14.4 5.1 19.9 63 65 A I H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.914 110.2 50.6 -63.8 -42.2 14.5 1.5 18.6 64 66 A K H 3< S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.1 44.8 -59.6 -34.6 10.8 1.1 19.5 65 67 A D H 3< S+ 0 0 87 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.575 96.9 97.2 -86.2 -13.1 10.1 4.3 17.6 66 68 A C << - 0 0 0 -4,-1.0 -56,-0.2 -3,-0.6 3,-0.1 -0.277 61.0-150.5 -82.3 162.3 12.2 3.6 14.5 67 69 A D S S+ 0 0 26 -58,-2.9 31,-1.0 1,-0.4 2,-0.3 0.685 86.4 0.7 -93.2 -28.8 11.3 2.2 11.1 68 70 A A E -bc 10 98A 0 -59,-1.4 -57,-2.4 29,-0.2 2,-0.4 -0.985 61.1-136.1-152.2 156.2 14.8 0.7 10.7 69 71 A V E -bc 11 99A 0 29,-2.4 31,-2.8 -2,-0.3 2,-0.5 -0.960 11.2-162.5-107.8 131.9 18.1 0.3 12.5 70 72 A I E -bc 12 100A 0 -59,-2.4 -57,-1.4 -2,-0.4 2,-0.5 -0.986 20.2-164.4-108.6 117.0 21.3 0.8 10.5 71 73 A A E -bc 13 101A 0 29,-2.9 31,-2.2 -2,-0.5 2,-1.0 -0.887 20.3-142.5-113.4 126.1 24.0 -0.8 12.6 72 74 A D E + c 0 102A 19 -59,-2.5 10,-0.4 -2,-0.5 31,-0.2 -0.763 24.2 172.7 -83.6 101.0 27.8 -0.3 12.2 73 75 A L + 0 0 2 29,-2.9 30,-0.2 -2,-1.0 -1,-0.1 -0.041 26.3 142.4-100.3 29.9 29.1 -3.8 13.0 74 76 A S - 0 0 13 1,-0.2 8,-0.4 28,-0.1 29,-0.1 -0.258 67.4 -72.7 -64.6 156.0 32.7 -2.8 12.0 75 77 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 4,-0.2 -0.236 53.2-169.6 -48.4 133.6 35.6 -4.3 14.1 76 78 A F - 0 0 14 4,-2.6 4,-0.2 2,-0.1 7,-0.1 -0.952 68.4 -19.0-136.0 114.8 35.7 -2.6 17.5 77 79 A R S S- 0 0 53 -2,-0.4 2,-0.3 2,-0.1 162,-0.2 0.846 139.4 -12.7 57.0 39.5 38.7 -3.2 19.7 78 80 A G S S- 0 0 48 1,-0.1 -2,-0.1 2,-0.1 -1,-0.0 -0.906 114.5 -44.0 134.0-161.5 39.6 -6.3 17.7 79 81 A H S S+ 0 0 64 -2,-0.3 -1,-0.1 -4,-0.2 -2,-0.1 0.574 107.8 89.4 -80.5 -11.7 37.8 -8.4 15.1 80 82 A E S S- 0 0 23 -4,-0.2 -4,-2.6 156,-0.2 3,-0.1 -0.638 79.4-114.2 -90.1 144.6 34.4 -8.4 17.0 81 83 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 161,-0.1 -0.140 48.5 -76.0 -62.5 167.9 31.7 -5.7 16.6 82 84 A D > - 0 0 5 -8,-0.4 4,-2.1 -10,-0.4 5,-0.1 -0.521 34.7-141.2 -67.0 132.1 30.7 -3.4 19.5 83 85 A C H > S+ 0 0 2 -2,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.800 100.6 56.7 -68.9 -29.1 28.6 -5.2 22.1 84 86 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 109.4 46.5 -64.4 -44.7 26.3 -2.1 22.7 85 87 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 110.4 53.3 -61.8 -43.0 25.5 -2.1 19.0 86 88 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 106.5 52.4 -59.4 -43.2 24.9 -5.9 19.2 87 89 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 109.9 49.6 -56.7 -43.2 22.5 -5.4 22.0 88 90 A E H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.879 108.0 52.3 -67.7 -37.3 20.6 -2.8 19.9 89 91 A V H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.910 110.8 48.7 -63.9 -41.2 20.5 -5.2 16.9 90 92 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.888 109.7 51.5 -64.2 -42.4 18.9 -7.9 19.3 91 93 A C H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.946 112.1 46.6 -57.1 -50.2 16.4 -5.4 20.6 92 94 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.885 109.9 53.4 -61.3 -43.4 15.4 -4.5 17.0 93 95 A A H ><5S+ 0 0 17 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.915 108.6 49.5 -57.6 -44.7 15.2 -8.2 16.0 94 96 A A H 3<5S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.5 50.8 -65.7 -30.1 12.8 -8.9 18.9 95 97 A L T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.301 113.6-119.3 -90.4 6.5 10.6 -6.0 17.9 96 98 A N T < 5 + 0 0 138 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.782 59.5 155.3 58.8 31.2 10.5 -7.2 14.3 97 99 A K < - 0 0 59 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.535 54.6 -96.0 -81.6 153.2 12.1 -4.0 13.0 98 100 A X E -c 68 0A 49 -31,-1.0 -29,-2.4 -2,-0.2 2,-0.5 -0.573 44.2-162.6 -64.6 124.3 14.0 -3.8 9.7 99 101 A V E -c 69 0A 7 -2,-0.4 2,-0.4 -31,-0.2 -29,-0.2 -0.974 11.2-178.2-118.4 124.1 17.7 -4.3 10.6 100 102 A L E -c 70 0A 0 -31,-2.8 -29,-2.9 -2,-0.5 2,-0.3 -0.981 8.9-169.4-121.6 133.0 20.4 -3.3 8.2 101 103 A T E -c 71 0A 10 39,-0.5 41,-2.5 -2,-0.4 2,-0.3 -0.901 8.2-178.8-125.1 150.0 24.1 -3.9 9.0 102 104 A F E -cd 72 142A 14 -31,-2.2 -29,-2.9 -2,-0.3 2,-0.3 -0.957 3.2-170.2-140.7 162.2 27.4 -2.8 7.6 103 105 A T - 0 0 0 39,-1.7 3,-0.1 -2,-0.3 -29,-0.1 -0.988 30.8-136.2-149.1 148.4 31.1 -3.4 8.3 104 106 A S S S+ 0 0 75 -2,-0.3 2,-0.4 1,-0.2 39,-0.1 0.502 103.7 49.9 -75.0 -7.4 34.5 -2.0 7.2 105 107 A D + 0 0 27 1,-0.1 -1,-0.2 2,-0.1 7,-0.1 -0.870 58.5 173.0-138.6 101.4 35.7 -5.7 7.1 106 108 A R + 0 0 110 -2,-0.4 3,-0.1 -3,-0.1 25,-0.1 0.383 38.9 124.5 -90.5 1.9 33.5 -8.2 5.2 107 109 A R S S- 0 0 109 1,-0.1 -2,-0.1 23,-0.1 5,-0.1 -0.273 72.9 -95.3 -60.5 147.7 36.0 -11.2 5.5 108 110 A N >> - 0 0 58 1,-0.1 4,-2.2 20,-0.1 3,-0.9 -0.300 36.2-111.2 -56.8 149.4 34.7 -14.4 7.1 109 111 A X H 3> S+ 0 0 7 20,-2.4 4,-2.5 1,-0.3 5,-0.3 0.881 119.3 53.3 -50.6 -43.3 35.6 -14.7 10.8 110 112 A R H 3>>S+ 0 0 101 15,-0.4 4,-0.9 1,-0.2 5,-0.7 0.792 108.2 50.3 -68.0 -26.6 38.0 -17.5 10.1 111 113 A E H <45S+ 0 0 111 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.883 110.3 51.0 -73.2 -40.0 39.8 -15.3 7.6 112 114 A K H <5S+ 0 0 14 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.918 119.1 34.8 -61.1 -46.3 40.0 -12.5 10.1 113 115 A Y H <5S- 0 0 53 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.627 103.4-132.6 -84.8 -15.1 41.5 -14.7 12.8 114 116 A G T <5S+ 0 0 67 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.618 77.9 45.5 73.4 15.9 43.5 -16.7 10.3 115 117 A S S - 0 0 17 4,-2.4 3,-1.8 -2,-0.3 6,-0.1 -0.146 49.8 -78.9 -84.1-172.4 41.8 -17.6 18.3 119 121 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.683 133.3 49.1 -64.3 -18.8 45.2 -17.1 20.1 120 122 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 0, 0.0 116,-0.0 0.210 122.0-104.3-105.1 11.9 43.7 -18.7 23.3 121 123 A N S < S+ 0 0 89 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.722 71.0 148.0 70.5 25.9 42.3 -21.7 21.4 122 124 A L - 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