==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-03 1OG1 . COMPND 2 MOLECULE: T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.RITTER,F.KOCH-NOLTE,V.E.MARQUEZ,G.E.SCHULZ . 223 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 13.5 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 0.4 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 1 1 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 0 1 0 1 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 0 0 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 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 4 A P 0 0 100 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 161.4 69.5 27.6 18.1 2 5 A L E -a 129 0A 84 126,-2.7 128,-3.0 0, 0.0 2,-0.3 -0.849 360.0-112.6-112.6 151.7 67.3 29.9 20.2 3 6 A M E -a 130 0A 92 -2,-0.3 2,-0.6 126,-0.2 128,-0.2 -0.625 16.9-152.3 -90.6 142.2 68.6 31.6 23.3 4 7 A L E +a 131 0A 5 126,-2.9 128,-2.1 -2,-0.3 130,-0.3 -0.961 44.3 119.7-111.8 117.3 67.3 30.8 26.8 5 8 A D S S- 0 0 49 -2,-0.6 133,-2.5 133,-0.5 128,-0.0 -0.634 79.0 -57.6-151.8-151.7 67.6 33.8 29.1 6 9 A T - 0 0 48 131,-0.3 131,-0.1 -2,-0.2 134,-0.1 0.364 65.6-122.4 -87.6 5.9 65.4 36.1 31.3 7 10 A A > + 0 0 11 131,-0.2 3,-1.1 1,-0.1 132,-0.1 0.953 40.3 177.9 54.4 54.7 63.3 37.2 28.3 8 11 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 132,-0.0 0.759 75.4 44.6 -61.0 -24.7 64.1 40.9 28.8 9 12 A N T 3 S+ 0 0 61 79,-0.1 82,-2.4 2,-0.1 83,-0.3 0.463 87.3 113.1-103.2 3.1 62.1 41.9 25.7 10 13 A A S < S- 0 0 3 -3,-1.1 2,-1.0 80,-0.2 78,-0.2 -0.439 75.5-115.6 -74.2 145.2 59.0 39.8 26.2 11 14 A F + 0 0 0 76,-2.0 180,-0.1 1,-0.1 -1,-0.1 -0.694 47.5 165.2 -78.3 109.2 55.6 41.4 26.9 12 15 A D + 0 0 2 -2,-1.0 -1,-0.1 179,-0.1 128,-0.1 0.056 4.4 167.1-118.7 23.4 55.3 39.8 30.4 13 16 A D - 0 0 0 1,-0.2 206,-0.2 206,-0.1 179,-0.1 -0.110 16.2-178.2 -46.4 126.6 52.4 41.9 31.9 14 17 A Q - 0 0 2 204,-0.6 -1,-0.2 2,-0.1 205,-0.1 0.412 35.6-131.3-104.5 -5.7 51.0 40.4 35.1 15 18 A Y > - 0 0 4 1,-0.2 3,-0.9 203,-0.1 2,-0.6 0.892 33.5-178.1 55.3 47.5 48.4 43.1 35.6 16 19 A E T 3 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.678 71.2 1.5 -80.3 117.3 49.2 43.7 39.3 17 20 A G T 3 S+ 0 0 89 -2,-0.6 -1,-0.2 1,-0.0 4,-0.1 0.448 120.0 74.9 88.2 -0.5 46.7 46.4 40.5 18 21 A a <> + 0 0 8 -3,-0.9 4,-2.9 2,-0.1 5,-0.2 0.199 50.2 112.1-131.6 23.2 44.7 46.8 37.3 19 22 A V H > S+ 0 0 27 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.933 83.3 47.9 -60.5 -43.4 42.5 43.7 37.0 20 23 A N H > S+ 0 0 140 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.927 114.2 46.8 -65.0 -40.6 39.3 45.7 37.6 21 24 A K H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 113.7 48.3 -66.6 -39.0 40.3 48.3 35.1 22 25 A M H X S+ 0 0 1 -4,-2.9 4,-3.7 1,-0.2 -2,-0.2 0.912 105.0 57.0 -70.3 -41.8 41.3 45.6 32.5 23 26 A E H < S+ 0 0 50 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.0 44.0 -59.0 -26.4 38.1 43.6 32.9 24 27 A E H < S+ 0 0 151 -4,-1.1 4,-0.3 -5,-0.2 -1,-0.2 0.842 123.6 33.5 -84.3 -32.6 36.3 46.9 31.9 25 28 A K H >X S+ 0 0 59 -4,-1.9 4,-2.1 1,-0.1 3,-0.6 0.726 98.3 76.7 -98.3 -24.5 38.6 47.9 29.1 26 29 A A H 3X S+ 0 0 0 -4,-3.7 4,-3.2 1,-0.2 5,-0.2 0.821 86.7 62.4 -60.1 -33.0 39.7 44.6 27.5 27 30 A P H 3> S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.920 110.1 41.4 -59.3 -39.7 36.3 44.0 25.7 28 31 A L H <> S+ 0 0 112 -3,-0.6 4,-1.7 -4,-0.3 3,-0.3 0.914 113.7 53.3 -68.6 -45.0 37.0 47.2 23.7 29 32 A L H X S+ 0 0 9 -4,-2.1 4,-2.8 1,-0.2 72,-0.3 0.880 104.7 56.5 -57.8 -38.4 40.7 46.2 23.4 30 33 A L H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.883 103.1 52.1 -61.9 -40.8 39.6 42.9 22.0 31 34 A Q H X S+ 0 0 121 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.896 111.3 49.5 -61.7 -39.7 37.6 44.5 19.2 32 35 A E H X S+ 0 0 101 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.926 109.0 50.6 -63.0 -50.3 40.7 46.5 18.3 33 36 A D H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 4,-0.2 0.948 113.4 47.1 -51.8 -51.1 43.0 43.4 18.3 34 37 A F H >< S+ 0 0 30 -4,-2.6 3,-1.7 1,-0.2 7,-0.2 0.912 103.5 60.4 -59.9 -45.2 40.4 41.7 15.9 35 38 A N H 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 119.0 30.2 -54.5 -26.9 40.2 44.7 13.6 36 39 A M T << S+ 0 0 124 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.201 118.3 56.4-118.0 15.5 43.9 44.3 13.0 37 40 A N <> + 0 0 23 -3,-1.7 4,-2.3 -4,-0.2 3,-0.2 -0.602 52.5 174.0-149.5 82.6 44.4 40.6 13.4 38 41 A A H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 82.7 55.1 -58.4 -40.3 42.2 38.4 11.2 39 42 A K H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 109.1 47.2 -62.2 -42.0 43.8 35.2 12.2 40 43 A L H > S+ 0 0 0 -3,-0.2 4,-3.2 2,-0.2 5,-0.2 0.950 109.8 53.7 -65.3 -46.2 43.1 35.9 15.9 41 44 A K H X S+ 0 0 85 -4,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.918 111.4 45.4 -53.9 -45.1 39.5 36.9 15.2 42 45 A V H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.914 113.2 48.8 -65.3 -45.3 38.9 33.6 13.4 43 46 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 112.7 49.7 -61.7 -39.3 40.6 31.5 16.1 44 47 A W H X S+ 0 0 23 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.929 109.3 50.1 -66.2 -46.0 38.5 33.4 18.7 45 48 A E H X S+ 0 0 98 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.913 114.4 45.0 -59.9 -43.4 35.2 32.8 17.0 46 49 A E H X S+ 0 0 116 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.915 113.3 50.0 -67.4 -39.4 35.9 29.1 16.6 47 50 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.850 103.8 60.0 -67.3 -32.6 37.2 28.9 20.2 48 51 A K H X S+ 0 0 68 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.891 104.1 50.8 -62.4 -38.2 34.0 30.6 21.5 49 52 A K H X S+ 0 0 141 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.937 112.6 44.9 -66.2 -42.9 31.9 27.8 20.0 50 53 A R H X S+ 0 0 96 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.885 110.9 53.9 -67.0 -38.7 33.9 25.1 21.6 51 54 A W H X S+ 0 0 2 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.915 102.3 58.6 -60.1 -43.2 33.9 27.0 24.9 52 55 A N H < S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.1 44.2 -53.4 -37.2 30.1 27.2 24.8 53 56 A N H < S+ 0 0 134 -4,-1.1 4,-0.3 -3,-0.3 -1,-0.2 0.806 116.4 45.0 -77.9 -34.0 30.2 23.4 24.7 54 57 A I H >< S+ 0 0 17 -4,-1.8 3,-1.5 1,-0.1 4,-0.4 0.876 96.9 74.4 -76.1 -44.3 32.8 22.9 27.4 55 58 A K G >< S+ 0 0 87 -4,-3.2 3,-1.1 1,-0.2 -1,-0.1 0.771 89.2 55.0 -42.6 -46.3 31.4 25.4 29.9 56 59 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.797 92.1 73.5 -65.5 -25.8 28.4 23.4 31.2 57 60 A S G < S+ 0 0 83 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.714 108.8 2.3 -65.1 -19.3 30.4 20.4 32.2 58 61 A R S < S- 0 0 115 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.0 -0.966 70.7-100.9-158.8 173.7 31.9 22.1 35.3 59 62 A S - 0 0 111 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.695 33.8-150.2 -99.2 153.7 32.2 25.2 37.5 60 63 A Y - 0 0 45 -2,-0.3 3,-0.1 4,-0.1 4,-0.1 -0.837 33.8 -74.1-122.6 160.9 35.1 27.6 37.2 61 64 A P > - 0 0 50 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.104 66.3 -83.3 -51.4 149.2 36.9 29.9 39.8 62 65 A K T 3 S+ 0 0 199 1,-0.3 3,-0.1 50,-0.1 -3,-0.0 -0.305 119.6 22.4 -55.9 133.0 34.9 32.9 40.8 63 66 A G T 3 S+ 0 0 55 1,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.248 85.1 132.6 92.3 -15.4 35.4 35.7 38.3 64 67 A F < + 0 0 22 -3,-2.5 -1,-0.3 -4,-0.1 -4,-0.1 -0.623 38.0 178.4 -71.7 115.1 36.4 33.3 35.6 65 68 A N > - 0 0 49 -2,-0.7 4,-2.3 -3,-0.1 5,-0.2 -0.441 45.4 -84.4-113.0-173.7 34.2 34.6 32.6 66 69 A D H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.785 124.4 56.8 -64.1 -29.8 33.7 33.7 29.0 67 70 A F H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 108.8 46.6 -64.7 -47.6 36.7 35.8 27.8 68 71 A H H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.937 116.3 45.1 -59.1 -47.5 39.0 33.8 30.1 69 72 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.923 114.6 46.2 -64.5 -46.2 37.5 30.5 28.9 70 73 A T H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.875 111.1 53.6 -66.2 -34.5 37.5 31.4 25.2 71 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.951 111.5 45.4 -65.6 -44.2 41.1 32.8 25.4 72 75 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.922 113.7 48.3 -65.9 -43.3 42.4 29.6 27.0 73 76 A V H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.962 112.7 49.3 -61.8 -45.4 40.5 27.4 24.5 74 77 A A H ><>S+ 0 0 2 -4,-2.8 3,-1.4 1,-0.2 5,-0.8 0.891 105.4 57.8 -60.6 -38.6 41.8 29.5 21.6 75 78 A Y H 3<5S+ 0 0 5 -4,-2.3 5,-0.5 1,-0.3 -1,-0.2 0.875 102.1 52.8 -61.0 -39.6 45.4 29.3 22.9 76 79 A T T 3<5S+ 0 0 22 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.559 106.6 76.2 -72.8 -7.4 45.4 25.4 22.8 77 80 A G T X 5S- 0 0 17 -3,-1.4 3,-1.8 -4,-0.4 -3,-0.0 -0.315 113.7 -71.8 -92.3-178.0 44.3 26.0 19.2 78 81 A S T > 5S+ 0 0 108 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.561 115.7 77.0 -52.4 -14.1 46.3 27.0 16.2 79 82 A I T 3>< + 0 0 3 -5,-0.8 4,-2.2 1,-0.2 -1,-0.3 0.651 68.9 88.6 -78.7 -12.1 46.8 30.6 17.3 80 83 A A H <> S+ 0 0 18 -3,-1.8 4,-3.0 -5,-0.5 5,-0.2 0.860 82.6 53.5 -54.6 -42.4 49.5 29.9 19.9 81 84 A V H <> S+ 0 0 113 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.952 113.2 41.3 -61.0 -50.2 52.5 30.2 17.6 82 85 A D H > S+ 0 0 56 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.874 116.8 49.6 -65.0 -39.2 51.6 33.6 16.2 83 86 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 110.3 49.3 -65.2 -49.1 50.6 34.9 19.7 84 87 A N H X S+ 0 0 13 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.857 110.8 51.3 -59.6 -35.4 53.7 33.7 21.4 85 88 A R H X S+ 0 0 142 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.929 108.5 50.4 -67.6 -46.4 55.9 35.3 18.7 86 89 A A H < S+ 0 0 25 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.888 114.4 45.5 -58.3 -40.3 54.1 38.6 19.1 87 90 A V H >< S+ 0 0 0 -4,-2.3 -76,-2.0 2,-0.2 3,-1.5 0.950 113.8 47.7 -68.0 -50.0 54.7 38.4 22.8 88 91 A R H 3< S+ 0 0 108 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.911 118.4 40.8 -57.4 -46.1 58.4 37.3 22.5 89 92 A E T 3X S+ 0 0 71 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.3 0.158 85.5 114.3 -92.4 21.6 59.2 40.0 20.0 90 93 A F T X4 S+ 0 0 5 -3,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.941 72.7 45.4 -56.2 -64.0 57.2 42.7 21.8 91 94 A K T 34 S+ 0 0 105 -82,-2.4 -1,-0.2 -4,-0.3 -81,-0.1 0.792 101.3 73.0 -54.3 -29.3 59.8 45.2 22.9 92 95 A E T 34 S- 0 0 102 -83,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.960 127.8 -10.3 -49.7 -60.9 61.3 45.0 19.5 93 96 A N X< + 0 0 93 -4,-1.1 2,-2.5 -3,-0.6 3,-1.8 -0.426 69.5 178.8-142.6 66.1 58.4 47.0 17.9 94 97 A P T 3 + 0 0 60 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 0.035 67.0 83.1 -60.4 32.5 55.5 47.5 20.4 95 98 A G T 3 S+ 0 0 66 -2,-2.5 -5,-0.0 1,-0.1 -2,-0.0 0.663 91.3 46.5-104.3 -27.2 53.4 49.5 18.0 96 99 A Q S < S+ 0 0 139 -3,-1.8 2,-0.9 -6,-0.2 -1,-0.1 -0.265 71.8 133.8-109.6 46.3 52.0 46.4 16.2 97 100 A F + 0 0 4 -3,-0.2 3,-0.4 1,-0.1 2,-0.2 -0.819 25.0 175.8 -98.0 105.5 51.0 44.3 19.2 98 101 A H + 0 0 32 -2,-0.9 -1,-0.1 1,-0.2 -58,-0.1 -0.263 63.7 71.8-107.3 48.1 47.5 43.0 18.3 99 102 A Y > + 0 0 12 -2,-0.2 4,-3.3 -13,-0.1 5,-0.3 -0.130 54.0 129.5-143.5 29.2 46.8 40.7 21.2 100 103 A K H > S+ 0 0 32 -3,-0.4 4,-1.5 2,-0.2 -70,-0.1 0.946 84.9 30.7 -55.0 -53.0 46.4 43.4 23.9 101 104 A A H > S+ 0 0 0 -72,-0.3 4,-2.8 2,-0.2 5,-0.2 0.889 119.2 54.8 -74.1 -40.5 43.1 42.0 25.1 102 105 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.912 107.0 50.1 -59.6 -45.9 44.0 38.4 24.3 103 106 A H H X S+ 0 0 4 -4,-3.3 4,-2.6 2,-0.2 5,-0.3 0.941 112.6 48.9 -58.5 -45.8 47.2 38.5 26.3 104 107 A Y H X S+ 0 0 0 -4,-1.5 4,-3.3 -5,-0.3 5,-0.3 0.969 112.6 45.6 -59.4 -52.2 45.2 40.0 29.3 105 108 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.912 115.4 46.0 -62.2 -40.1 42.4 37.4 29.2 106 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.915 114.0 49.1 -67.8 -43.0 44.8 34.4 28.8 107 110 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.949 114.1 45.8 -60.0 -47.2 47.0 35.8 31.6 108 111 A R H X S+ 0 0 60 -4,-3.3 4,-2.8 -5,-0.3 5,-0.3 0.883 106.8 58.8 -66.5 -35.2 44.1 36.3 33.9 109 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.953 110.3 43.2 -57.3 -49.6 42.6 32.8 33.0 110 113 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.904 112.0 53.3 -65.3 -38.2 45.8 31.2 34.3 111 114 A Q H < S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 112.8 44.5 -62.1 -41.5 46.0 33.5 37.4 112 115 A L H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 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