==== 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 16-JUN-05 2A0K . 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) . 15152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.8 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 . 20 6.3 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 . 5 1.6 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 . 2 0 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 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.1 35.9 8.0 2.9 2 4 A H + 0 0 186 1,-0.2 2,-0.2 2,-0.0 3,-0.1 0.887 360.0 168.9 55.5 48.5 33.4 7.6 5.9 3 5 A H - 0 0 160 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.494 49.5 -84.5 -72.0 154.7 33.3 11.3 6.9 4 6 A H - 0 0 173 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 -0.416 45.7-150.2 -58.9 135.6 30.6 12.2 9.4 5 7 A H - 0 0 121 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.0 -0.965 6.3-137.3-114.9 123.1 27.3 12.8 7.6 6 8 A H - 0 0 82 -2,-0.5 2,-0.6 1,-0.0 -2,-0.0 -0.582 10.9-146.8 -74.5 131.3 24.8 15.2 9.1 7 9 A X - 0 0 65 -2,-0.3 32,-0.1 151,-0.1 31,-0.1 -0.913 24.4-119.7 -98.2 123.6 21.2 14.1 9.0 8 10 A R - 0 0 19 -2,-0.6 32,-3.4 30,-0.4 2,-0.4 -0.289 30.6-161.4 -63.3 144.4 18.8 17.1 8.6 9 11 A K E -a 40 0A 43 30,-0.2 58,-3.0 56,-0.1 59,-1.3 -0.993 10.8-167.4-135.8 135.3 16.3 17.6 11.4 10 12 A I E -ab 41 68A 0 30,-2.6 32,-3.3 -2,-0.4 2,-0.4 -0.989 19.3-136.0-125.0 126.5 13.1 19.6 11.6 11 13 A Y E -ab 42 69A 0 57,-2.4 59,-2.3 -2,-0.4 2,-1.1 -0.674 18.4-142.1 -78.4 130.5 11.2 20.4 14.8 12 14 A I E - b 0 70A 0 30,-2.7 2,-0.3 -2,-0.4 59,-0.2 -0.740 26.2-179.4-103.6 86.5 7.5 19.8 14.3 13 15 A A E + b 0 71A 1 57,-1.5 59,-2.3 -2,-1.1 72,-0.1 -0.662 25.0 94.4 -92.1 140.8 5.7 22.6 16.1 14 16 A G S > S- 0 0 4 -2,-0.3 3,-0.9 57,-0.2 59,-0.1 -0.737 77.1 -89.5 152.2 160.2 1.9 22.9 16.3 15 17 A P G > S+ 0 0 12 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.271 86.7 107.3 -83.1 12.7 -1.2 22.2 18.2 16 18 A A G > + 0 0 5 1,-0.3 3,-2.3 2,-0.2 7,-0.3 0.815 67.9 73.7 -52.9 -31.9 -1.8 18.8 16.5 17 19 A V G < S+ 0 0 33 -3,-0.9 -1,-0.3 1,-0.3 7,-0.1 0.717 89.2 58.8 -53.5 -24.4 -0.7 17.4 19.9 18 20 A F G < S+ 0 0 17 -3,-2.2 264,-3.0 4,-0.1 -1,-0.3 0.459 80.4 113.0 -90.2 -2.1 -4.1 18.4 21.3 19 21 A N S X S- 0 0 54 -3,-2.3 3,-3.0 262,-0.2 5,-0.1 -0.331 87.4-106.1 -61.0 150.2 -6.0 16.3 18.8 20 22 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 261,-0.0 0.843 125.5 50.8 -48.0 -35.9 -8.0 13.4 20.3 21 23 A D T > S- 0 0 59 -5,-0.1 3,-1.5 1,-0.0 -2,-0.1 0.248 118.7-113.7 -87.1 12.4 -5.3 11.1 18.8 22 24 A X T < S- 0 0 112 -3,-3.0 -5,-0.1 1,-0.3 -4,-0.1 0.725 73.9 -54.6 60.6 25.3 -2.5 13.2 20.4 23 25 A G T 3> S+ 0 0 0 -7,-0.3 4,-3.3 -8,-0.1 5,-0.3 0.394 98.0 137.4 95.0 0.5 -1.3 14.2 16.9 24 26 A A H <> S+ 0 0 43 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.865 73.2 44.3 -47.6 -52.1 -0.8 10.7 15.6 25 27 A S H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 117.2 46.0 -64.4 -40.5 -2.4 11.3 12.1 26 28 A Y H > S+ 0 0 39 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.955 115.7 45.4 -63.3 -52.4 -0.6 14.6 11.7 27 29 A Y H X S+ 0 0 5 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.844 110.0 55.0 -64.1 -35.6 2.8 13.2 12.9 28 30 A N H X S+ 0 0 96 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.926 108.5 48.1 -62.0 -44.7 2.4 10.1 10.7 29 31 A K H X S+ 0 0 140 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.900 113.5 48.2 -60.7 -43.8 1.9 12.3 7.6 30 32 A V H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.936 110.7 51.3 -59.4 -50.5 5.0 14.3 8.6 31 33 A R H X S+ 0 0 96 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.908 110.8 47.6 -55.3 -47.3 7.0 11.1 9.2 32 34 A E H X S+ 0 0 135 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.884 113.8 47.2 -64.5 -39.8 6.2 9.6 5.8 33 35 A L H < S+ 0 0 39 -4,-1.8 4,-0.3 -5,-0.2 3,-0.3 0.907 116.4 42.4 -69.0 -43.6 6.9 12.9 3.9 34 36 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.5 0.822 102.9 67.3 -74.7 -33.0 10.3 13.5 5.6 35 37 A K H ><5S+ 0 0 174 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.855 93.7 60.4 -54.7 -38.7 11.4 9.8 5.4 36 38 A K T 3<5S+ 0 0 138 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.733 110.3 41.0 -60.4 -26.2 11.6 10.2 1.6 37 39 A E T < 5S- 0 0 81 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.287 112.5-112.6-108.8 7.2 14.2 12.9 2.0 38 40 A N T < 5 + 0 0 81 -3,-1.3 -30,-0.4 -4,-0.3 2,-0.4 0.853 69.5 145.0 59.5 35.9 16.3 11.4 4.9 39 41 A V < - 0 0 3 -5,-2.0 -1,-0.2 -32,-0.1 -30,-0.2 -0.905 46.2-133.2-104.8 133.3 15.1 14.2 7.2 40 42 A X E -a 9 0A 69 -32,-3.4 -30,-2.6 -2,-0.4 2,-0.4 -0.765 11.9-141.7 -86.7 120.3 14.4 13.5 10.9 41 43 A P E -a 10 0A 27 0, 0.0 2,-0.8 0, 0.0 -30,-0.2 -0.687 6.6-152.8 -76.0 129.1 11.2 14.8 12.4 42 44 A L E -a 11 0A 19 -32,-3.3 -30,-2.7 -2,-0.4 24,-0.0 -0.916 21.3-164.9-101.4 104.6 11.7 16.1 15.9 43 45 A I > - 0 0 0 -2,-0.8 3,-2.3 -32,-0.2 -30,-0.1 -0.799 23.9-133.5-105.0 130.6 8.3 15.6 17.4 44 46 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.747 105.6 48.2 -52.2 -32.4 7.1 17.2 20.7 45 47 A T T > S+ 0 0 31 -23,-0.1 3,-1.2 3,-0.1 2,-0.1 0.420 82.4 124.0 -90.1 -0.1 5.6 14.0 22.1 46 48 A D T < S- 0 0 51 -3,-2.3 3,-0.2 1,-0.3 -4,-0.0 -0.420 88.1 -6.6 -67.7 134.2 8.7 11.8 21.3 47 49 A N T 3 S- 0 0 161 1,-0.2 -1,-0.3 -2,-0.1 11,-0.0 0.858 97.7-153.6 49.1 43.3 10.2 9.9 24.3 48 50 A E < - 0 0 101 -3,-1.2 -1,-0.2 1,-0.1 2,-0.1 -0.106 8.1-145.9 -59.4 134.7 7.7 11.9 26.4 49 51 A A - 0 0 32 -3,-0.2 -1,-0.1 2,-0.1 3,-0.0 -0.328 13.5-129.8 -85.2 176.1 8.5 12.6 30.1 50 52 A T S S+ 0 0 128 -2,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.684 83.4 75.9-102.7 -23.3 5.9 12.8 32.8 51 53 A E S >> S- 0 0 126 1,-0.1 4,-2.4 4,-0.0 3,-0.7 -0.776 77.9-132.0 -97.0 134.5 6.8 16.1 34.4 52 54 A A H 3> S+ 0 0 15 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.861 106.7 50.6 -46.5 -48.6 6.0 19.5 32.7 53 55 A L H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.840 110.5 49.6 -66.2 -33.5 9.5 20.9 33.1 54 56 A D H <> S+ 0 0 81 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.912 110.9 49.3 -69.5 -45.4 11.1 17.8 31.6 55 57 A I H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.937 113.7 47.6 -55.2 -49.8 8.7 17.9 28.6 56 58 A R H X S+ 0 0 21 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.936 112.0 48.2 -57.8 -49.8 9.5 21.6 28.1 57 59 A Q H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 110.2 51.5 -63.4 -40.0 13.3 21.1 28.4 58 60 A K H X S+ 0 0 138 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.869 111.5 48.4 -62.6 -39.4 13.3 18.2 25.9 59 61 A N H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.911 109.5 51.0 -67.4 -43.2 11.3 20.3 23.4 60 62 A I H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 109.3 52.2 -59.1 -41.9 13.7 23.3 23.9 61 63 A Q H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 104.4 56.1 -63.1 -37.6 16.6 20.9 23.2 62 64 A X H X S+ 0 0 25 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.911 107.7 48.9 -58.5 -42.5 14.9 19.7 20.0 63 65 A I H < S+ 0 0 0 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.917 110.7 49.7 -63.6 -44.5 14.8 23.3 18.8 64 66 A K H < S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.1 46.1 -57.5 -38.7 18.5 23.6 19.7 65 67 A D H < S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.678 96.9 96.4 -76.2 -22.5 19.1 20.4 17.7 66 68 A C < - 0 0 0 -4,-1.3 -56,-0.2 -3,-0.4 3,-0.1 -0.204 60.7-151.5 -78.0 160.5 17.1 21.3 14.6 67 69 A D S S- 0 0 25 -58,-3.0 31,-1.0 1,-0.4 2,-0.3 0.675 86.3 -1.7 -92.5 -28.8 18.0 22.7 11.3 68 70 A A E -bc 10 98A 0 -59,-1.3 -57,-2.4 29,-0.2 2,-0.5 -0.987 61.2-132.7-152.4 159.5 14.5 24.3 10.9 69 71 A V E -bc 11 99A 0 29,-2.4 31,-3.1 -2,-0.3 2,-0.6 -0.968 11.2-162.6-108.0 129.9 11.2 24.6 12.6 70 72 A I E -bc 12 100A 0 -59,-2.3 -57,-1.5 -2,-0.5 2,-0.5 -0.979 21.8-165.5-105.7 115.4 8.0 24.0 10.6 71 73 A A E -bc 13 101A 0 29,-2.9 31,-2.1 -2,-0.6 2,-1.0 -0.890 20.9-141.0-111.2 128.1 5.3 25.6 12.7 72 74 A D E + c 0 102A 17 -59,-2.3 10,-0.4 -2,-0.5 31,-0.2 -0.770 24.1 173.3 -84.2 101.3 1.6 25.1 12.4 73 75 A L + 0 0 1 29,-2.8 30,-0.2 -2,-1.0 -1,-0.1 0.015 26.7 141.7 -99.7 27.1 0.2 28.6 13.1 74 76 A S - 0 0 15 1,-0.2 8,-0.4 28,-0.1 29,-0.1 -0.247 68.4 -73.8 -61.6 153.6 -3.4 27.6 12.1 75 77 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 4,-0.2 -0.268 52.6-167.6 -48.6 132.6 -6.2 29.1 14.2 76 78 A F - 0 0 14 4,-2.7 4,-0.3 -3,-0.1 7,-0.1 -0.965 68.9 -17.8-132.2 115.8 -6.3 27.4 17.6 77 79 A R S S- 0 0 54 -2,-0.4 2,-0.3 2,-0.1 162,-0.2 0.881 139.8 -15.2 57.3 44.3 -9.4 27.9 19.9 78 80 A G S S- 0 0 49 1,-0.1 -1,-0.1 159,-0.0 -2,-0.0 -0.889 115.3 -41.4 127.0-160.2 -10.3 31.0 17.9 79 81 A H S S+ 0 0 66 -2,-0.3 -1,-0.1 -4,-0.2 -2,-0.1 0.579 107.7 89.4 -80.7 -13.4 -8.4 33.1 15.3 80 82 A E S S- 0 0 23 -4,-0.3 -4,-2.7 156,-0.2 3,-0.1 -0.617 79.3-115.1 -87.4 143.2 -5.1 33.2 17.2 81 83 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 161,-0.1 -0.184 48.5 -75.7 -62.5 168.7 -2.3 30.5 16.8 82 84 A D > - 0 0 5 -8,-0.4 4,-2.2 -10,-0.4 5,-0.1 -0.525 33.6-142.3 -67.8 130.4 -1.4 28.2 19.7 83 85 A C H > S+ 0 0 2 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.790 100.9 56.7 -64.6 -32.8 0.8 29.9 22.3 84 86 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.945 110.4 44.9 -62.9 -47.3 2.9 26.8 22.9 85 87 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 111.7 53.6 -59.5 -43.7 3.8 26.8 19.2 86 88 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.894 106.7 51.4 -60.2 -43.2 4.4 30.6 19.4 87 89 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.905 110.1 50.4 -56.6 -44.1 6.8 30.1 22.3 88 90 A E H X S+ 0 0 13 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.865 107.8 51.9 -66.5 -36.7 8.7 27.5 20.1 89 91 A V H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 110.5 49.5 -64.4 -40.6 8.8 30.0 17.2 90 92 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.899 109.2 51.4 -64.2 -44.2 10.4 32.6 19.5 91 93 A C H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.941 112.2 47.0 -52.6 -51.7 12.9 30.1 20.9 92 94 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 -2,-0.2 0.885 110.4 52.3 -61.8 -42.6 13.9 29.3 17.3 93 95 A A H ><5S+ 0 0 17 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.924 109.2 49.2 -58.1 -47.7 14.1 32.9 16.3 94 96 A A H 3<5S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.762 111.4 50.4 -65.2 -27.1 16.5 33.7 19.2 95 97 A L T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.308 113.5-119.3 -93.2 6.2 18.6 30.7 18.2 96 98 A N T < 5 + 0 0 142 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.822 58.9 155.6 58.8 35.1 18.8 31.9 14.6 97 99 A K < - 0 0 57 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.622 54.5 -96.9 -86.1 149.8 17.2 28.8 13.3 98 100 A X E -c 68 0A 51 -31,-1.0 -29,-2.4 -2,-0.2 2,-0.5 -0.527 43.6-159.6 -61.1 126.5 15.3 28.7 10.0 99 101 A V E -c 69 0A 7 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.967 12.4-177.9-119.0 122.2 11.6 29.2 10.8 100 102 A L E -c 70 0A 0 -31,-3.1 -29,-2.9 -2,-0.5 2,-0.3 -0.974 8.9-170.5-119.4 129.3 8.9 28.1 8.4 101 103 A T E -c 71 0A 11 39,-0.4 41,-2.7 -2,-0.4 2,-0.3 -0.855 7.9-179.8-121.9 152.3 5.2 28.7 9.2 102 104 A F E -cd 72 142A 15 -31,-2.1 -29,-2.8 -2,-0.3 2,-0.3 -0.953 3.2-170.6-141.9 165.8 1.9 27.7 7.7 103 105 A T - 0 0 0 39,-1.7 3,-0.1 -2,-0.3 -29,-0.1 -0.982 31.8-135.4-154.6 148.8 -1.8 28.2 8.4 104 106 A S S S+ 0 0 79 -2,-0.3 2,-0.4 1,-0.2 39,-0.1 0.518 103.2 49.0 -74.2 -8.3 -5.2 26.9 7.2 105 107 A D + 0 0 30 1,-0.1 -1,-0.2 2,-0.1 7,-0.1 -0.883 57.5 174.0-141.0 103.3 -6.4 30.5 7.1 106 108 A R + 0 0 113 -2,-0.4 3,-0.1 -3,-0.1 25,-0.1 0.385 39.2 124.7 -93.5 2.2 -4.2 33.2 5.4 107 109 A R S S- 0 0 102 1,-0.1 -2,-0.1 23,-0.1 5,-0.0 -0.232 72.4 -94.0 -59.0 150.1 -6.7 36.1 5.7 108 110 A N >> - 0 0 62 1,-0.1 4,-2.4 20,-0.1 3,-0.6 -0.315 35.1-112.9 -57.7 149.5 -5.5 39.3 7.4 109 111 A X H 3> S+ 0 0 7 20,-2.4 4,-2.7 1,-0.2 5,-0.3 0.873 119.8 54.6 -51.8 -41.0 -6.3 39.5 11.2 110 112 A R H 3>>S+ 0 0 113 15,-0.4 4,-0.9 19,-0.2 5,-0.6 0.817 108.1 48.4 -69.1 -28.3 -8.7 42.3 10.4 111 113 A E H <45S+ 0 0 104 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.897 111.7 50.7 -70.3 -43.4 -10.6 40.2 7.9 112 114 A K H <5S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.924 118.9 35.5 -59.8 -48.5 -10.7 37.3 10.4 113 115 A Y H <5S- 0 0 51 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.649 103.6-133.4 -81.3 -17.3 -12.1 39.5 13.2 114 116 A G T <5S+ 0 0 67 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.566 77.5 43.2 77.6 10.5 -14.2 41.5 10.7 115 117 A S S - 0 0 15 4,-2.5 3,-2.1 -2,-0.3 6,-0.1 -0.170 49.2 -78.3 -84.6-174.1 -12.5 42.5 18.6 119 121 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.660 133.7 49.0 -62.1 -17.9 -15.8 41.9 20.5 120 122 A D T 3 S- 0 0 91 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.151 121.5-104.7-107.6 15.6 -14.3 43.5 23.6 121 123 A N S < S+ 0 0 90 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.714 71.8 147.6 66.2 24.2 -13.0 46.6 21.8 122 124 A L - 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0 0 131 -2,-0.2 2,-0.6 1,-0.1 -39,-0.5 -0.205 35.5-120.5 -49.1 137.3 6.4 30.8 40.7 300 143 B V - 0 0 22 -41,-0.1 -39,-0.2 -3,-0.1 -1,-0.1 -0.794 37.3-141.8 -80.9 118.5 3.5 32.2 38.5 301 144 B F B -i 261 0C 13 -41,-2.6 -39,-1.7 -2,-0.6 3,-0.1 -0.335 12.8-132.6 -86.3 163.3 2.8 35.6 40.1 302 145 B D S S+ 0 0 92 -41,-0.2 2,-0.3 1,-0.1 -41,-0.1 0.585 82.7 1.9 -87.9 -14.7 -0.6 37.3 40.7 303 146 B S S > S- 0 0 35 -43,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.979 75.6 -96.9-161.7 167.2 0.4 40.7 39.3 304 147 B F H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.926 120.9 56.4 -55.1 -45.4 3.1 42.8 37.7 305 148 B E H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 106.4 46.5 -59.3 -43.0 4.0 44.1 41.2 306 149 B S H > S+ 0 0 38 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.852 113.0 50.0 -72.6 -33.6 4.6 40.7 42.7 307 150 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.915 109.7 52.1 -64.0 -42.8 6.7 39.6 39.7 308 151 B F H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.861 104.2 56.4 -63.8 -35.3 8.7 42.9 40.1 309 152 B K H X S+ 0 0 153 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.902 106.1 50.6 -62.6 -40.8 9.4 42.2 43.8 310 153 B Y H X S+ 0 0 72 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.902 108.8 52.6 -60.2 -43.6 10.9 38.8 42.8 311 154 B F H >X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-0.6 0.948 109.5 48.0 -56.2 -51.1 13.1 40.7 40.3 312 155 B L H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.871 114.6 46.2 -60.3 -38.7 14.4 43.1 42.9 313 156 B A H 3< S+ 0 0 78 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.694 124.3 32.4 -74.6 -21.1 15.1 40.3 45.4 314 157 B N H << S+ 0 0 77 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.486 117.4 48.2-121.8 -8.5 16.9 38.2 42.7 315 158 B F S < S- 0 0 60 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.640 76.3-171.8-131.5 77.5 18.6 40.6 40.4 316 159 B P 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.250 360.0 360.0 -69.9 156.6 20.4 43.1 42.6 317 160 B S 0 0 98 -5,-0.1 -151,-0.1 -150,-0.0 -5,-0.0 -0.348 360.0 360.0 -74.8 360.0 22.1 46.2 41.2