==== 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 GLYCOPROTEIN 22-OCT-90 1VSG . COMPND 2 MOLECULE: VARIANT SURFACE GLYCOPROTEIN MITAT 1.2; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR D.FREYMANN,J.DOWN,D.C.WILEY . 724 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 30 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 0 0 2 0 0 0 2 2 3 1 0 0 0 0 0 0 0 2 0 0 0 2 0 2 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 11 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 ANTIPARALLEL BRIDGES PER LADDER . 3 6 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 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 1 A A 0 0 46 0, 0.0 3,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 165.3 124.6 22.1 98.3 2 2 A A + 0 0 35 1,-0.2 221,-0.2 219,-0.1 3,-0.1 -0.340 360.0 23.8 -78.8 159.4 122.6 19.3 99.9 3 3 A E S S+ 0 0 7 219,-0.8 184,-0.8 187,-0.4 2,-0.3 0.818 97.6 129.7 52.7 43.0 119.6 19.6 102.3 4 4 A K E -A 186 0A 42 -3,-0.5 -1,-0.2 186,-0.2 182,-0.2 -0.868 65.2 -83.5-127.5 157.1 118.9 23.0 100.9 5 5 A G E - 0 0 0 180,-2.2 177,-2.6 117,-0.3 2,-0.4 0.006 54.8 -97.1 -57.9 149.2 116.0 24.8 99.5 6 6 A F E -Ab 181 124A 0 117,-2.9 119,-4.0 175,-0.2 175,-0.2 -0.683 29.0-139.7 -84.9 131.2 115.1 24.3 95.9 7 7 A K >> - 0 0 48 173,-3.5 3,-3.0 -2,-0.4 4,-0.9 -0.580 35.4 -98.0 -88.5 152.7 116.2 26.7 93.1 8 8 A Q H 3> S+ 0 0 23 118,-1.0 4,-2.7 117,-0.5 119,-0.2 0.620 117.1 71.6 -43.5 -22.1 113.9 27.6 90.2 9 9 A A H 34 S+ 0 0 49 170,-0.4 -1,-0.3 117,-0.2 171,-0.1 0.799 103.0 43.1 -65.5 -32.6 115.5 24.9 88.0 10 10 A F H <> S+ 0 0 0 -3,-3.0 4,-0.7 170,-0.3 -2,-0.2 0.916 122.9 32.5 -77.6 -49.1 113.8 22.3 90.0 11 11 A W H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 3,-0.3 0.853 101.7 70.2 -91.6 -28.4 110.4 23.8 90.4 12 12 A Q H X S+ 0 0 71 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.854 98.8 55.2 -54.3 -36.9 109.8 25.8 87.2 13 13 A P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.949 108.4 46.9 -62.1 -42.7 109.5 22.5 85.3 14 14 A L H X S+ 0 0 0 -4,-0.7 4,-3.0 -3,-0.3 5,-0.2 0.920 109.0 55.4 -69.0 -37.3 106.8 21.2 87.7 15 15 A a H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.925 106.3 52.0 -55.7 -42.9 104.9 24.5 87.4 16 16 A Q H X S+ 0 0 51 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.871 111.6 44.7 -63.7 -42.4 104.8 24.1 83.6 17 17 A V H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 3,-0.4 0.942 111.4 53.6 -70.4 -49.2 103.4 20.6 83.8 18 18 A S H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.945 112.1 45.5 -48.1 -51.5 100.8 21.7 86.4 19 19 A E H < S+ 0 0 47 -4,-2.7 4,-0.3 125,-0.2 3,-0.3 0.796 112.9 49.3 -67.2 -27.1 99.6 24.5 84.2 20 20 A E H >< S+ 0 0 20 -4,-1.2 3,-2.1 -3,-0.4 4,-0.3 0.941 106.6 54.9 -74.9 -44.2 99.5 22.4 81.1 21 21 A L T 3< S+ 0 0 0 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.503 95.0 72.7 -64.5 -4.1 97.5 19.7 82.9 22 22 A D T 3> S+ 0 0 4 -4,-0.3 4,-0.5 -3,-0.3 -1,-0.3 0.746 93.9 52.5 -81.6 -22.8 95.1 22.5 83.8 23 23 A D H <> S+ 0 0 36 -3,-2.1 4,-1.9 -4,-0.3 -2,-0.2 0.541 84.4 87.4 -91.8 -4.0 93.9 22.5 80.2 24 24 A Q H > S+ 0 0 14 -4,-0.3 4,-2.1 -3,-0.2 71,-0.2 0.866 90.7 45.1 -67.9 -38.0 93.2 18.8 80.0 25 25 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.950 111.0 55.4 -67.4 -43.9 89.5 19.1 81.3 26 26 A K H X S+ 0 0 21 -4,-0.5 4,-2.4 1,-0.3 129,-1.4 0.852 110.2 46.1 -54.9 -38.2 89.0 22.1 78.9 27 27 A G H X S+ 0 0 9 -4,-1.9 4,-2.8 2,-0.2 -1,-0.3 0.926 109.2 53.2 -69.5 -46.8 90.1 19.9 76.1 28 28 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 111.5 47.5 -55.2 -47.6 87.9 17.0 77.3 29 29 A L H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.950 110.4 52.2 -52.2 -57.3 84.9 19.5 77.3 30 30 A F H X S+ 0 0 74 -4,-2.4 4,-2.2 125,-0.3 -2,-0.2 0.869 113.5 43.8 -47.9 -50.5 85.9 20.8 73.8 31 31 A T H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.940 110.7 51.4 -66.1 -47.8 85.9 17.2 72.3 32 32 A L H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.924 116.4 43.2 -59.2 -38.5 82.7 15.9 74.0 33 33 A Q H X S+ 0 0 45 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.912 110.5 54.9 -72.4 -38.4 80.9 19.0 72.6 34 34 A A H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.898 105.4 54.2 -60.9 -40.1 82.6 18.8 69.2 35 35 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.957 110.8 44.5 -61.3 -46.3 81.4 15.2 68.9 36 36 A A H X S+ 0 0 1 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.966 112.7 51.6 -66.2 -44.8 77.7 16.2 69.5 37 37 A S H X S+ 0 0 43 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.790 112.9 45.8 -58.6 -36.0 77.9 19.2 67.2 38 38 A K H X S+ 0 0 40 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.925 111.2 50.3 -74.6 -44.5 79.3 17.0 64.5 39 39 A I H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.937 111.5 52.5 -53.8 -44.7 76.6 14.2 65.1 40 40 A Q H X S+ 0 0 23 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.899 107.0 50.8 -55.8 -46.5 74.1 17.1 64.9 41 41 A K H X S+ 0 0 137 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.852 110.8 47.3 -66.5 -35.5 75.5 18.3 61.5 42 42 A M H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.915 112.3 51.2 -67.9 -43.7 75.4 14.8 60.0 43 43 A R H X S+ 0 0 25 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.920 107.5 53.1 -57.5 -50.6 71.8 14.5 61.3 44 44 A D H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.882 107.9 50.7 -52.1 -40.9 70.9 17.8 59.8 45 45 A A H X S+ 0 0 22 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.941 111.5 47.3 -66.7 -43.6 72.2 16.6 56.4 46 46 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 112.3 50.8 -65.6 -36.8 70.1 13.4 56.6 47 47 A L H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.958 110.4 48.9 -65.1 -42.4 67.0 15.4 57.6 48 48 A R H X S+ 0 0 41 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.935 113.5 46.6 -63.7 -42.7 67.5 17.8 54.7 49 49 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 111.5 51.1 -66.1 -40.2 67.9 14.8 52.3 50 50 A S H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.902 108.3 51.0 -61.2 -46.9 64.8 13.0 53.7 51 51 A I H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.907 109.7 50.8 -59.8 -46.2 62.6 16.0 53.3 52 52 A Y H X S+ 0 0 9 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.957 109.3 50.3 -56.2 -52.4 63.7 16.5 49.7 53 53 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.867 116.5 44.2 -53.7 -33.8 62.9 12.7 49.1 54 54 A E H >< S+ 0 0 9 -4,-2.0 3,-2.3 2,-0.2 -2,-0.2 0.985 113.0 47.7 -73.8 -62.7 59.4 13.5 50.7 55 55 A I H 3< S+ 0 0 50 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.769 126.9 30.9 -48.0 -26.0 58.8 16.8 48.9 56 56 A N T >< S+ 0 0 27 -4,-2.1 3,-1.5 -5,-0.3 6,-0.4 0.019 88.1 170.8-123.9 30.1 59.7 15.1 45.6 57 57 A H T < + 0 0 23 -3,-2.3 -3,-0.1 1,-0.2 3,-0.1 -0.045 60.0 27.6 -55.1 138.0 58.6 11.5 46.4 58 58 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.165 94.5 107.4 102.3 -16.5 58.6 9.0 43.5 59 59 A T S <> S- 0 0 41 -3,-1.5 4,-1.9 -6,-0.2 -1,-0.3 -0.255 79.6-116.3 -82.1 173.2 61.3 10.6 41.4 60 60 A N H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.853 119.4 58.0 -73.8 -29.1 65.0 9.3 40.8 61 61 A R H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.809 107.5 46.9 -65.3 -37.2 66.1 12.6 42.6 62 62 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.905 111.0 51.7 -69.5 -42.2 64.0 11.4 45.6 63 63 A K H X S+ 0 0 15 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.912 113.0 45.0 -59.1 -38.5 65.7 8.0 45.2 64 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.950 110.9 53.1 -67.7 -48.8 69.1 9.6 45.2 65 65 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.821 104.9 56.0 -58.6 -32.5 68.2 11.9 48.2 66 66 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.952 107.9 47.9 -63.4 -45.9 67.2 8.7 50.1 67 67 A I H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.939 114.5 46.2 -63.4 -39.5 70.7 7.3 49.5 68 68 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.976 113.4 49.6 -60.1 -53.4 72.2 10.6 50.7 69 69 A A H X S+ 0 0 3 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.839 109.3 51.0 -54.5 -39.1 69.8 10.7 53.7 70 70 A N H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.895 108.2 52.7 -72.4 -33.2 70.6 7.1 54.7 71 71 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.968 112.5 44.0 -65.2 -49.4 74.4 7.8 54.6 72 72 A Y H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.821 111.3 53.2 -68.4 -31.9 74.1 10.9 56.9 73 73 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.960 110.4 48.9 -62.0 -47.3 71.7 9.1 59.2 74 74 A M H X S+ 0 0 42 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.822 112.6 48.1 -61.0 -32.9 74.4 6.3 59.5 75 75 A K H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 3,-0.4 0.997 112.5 46.4 -69.2 -61.9 77.1 8.9 60.1 76 76 A A H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.812 115.6 50.3 -46.3 -35.4 75.1 10.7 62.8 77 77 A D H X S+ 0 0 8 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.3 0.935 111.0 43.9 -73.6 -45.3 74.3 7.2 64.2 78 78 A S H X S+ 0 0 44 -4,-2.5 4,-2.0 -3,-0.4 -2,-0.2 0.728 108.0 61.7 -74.7 -21.3 77.9 5.9 64.4 79 79 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 181,-0.2 -1,-0.2 0.943 105.8 45.3 -66.3 -44.9 79.1 9.2 65.8 80 80 A L H X S+ 0 0 7 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.825 113.2 50.2 -72.4 -29.2 76.8 8.7 68.8 81 81 A E H X S+ 0 0 81 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.861 111.2 48.3 -75.7 -31.1 78.0 5.2 69.1 82 82 A A H X>S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 5,-2.3 0.883 109.7 53.6 -71.1 -41.0 81.7 6.3 68.9 83 83 A L H <>S+ 0 0 7 -4,-2.5 5,-2.9 3,-0.2 -2,-0.2 0.952 116.9 38.5 -54.2 -47.3 80.9 9.0 71.5 84 84 A K H <5S+ 0 0 31 -4,-2.0 5,-0.5 1,-0.2 -2,-0.2 0.976 123.2 37.7 -69.6 -58.1 79.5 6.3 73.8 85 85 A Q H <5S+ 0 0 106 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.848 135.7 1.8 -67.6 -39.5 81.9 3.5 73.2 86 86 A T T X5S+ 0 0 71 -4,-2.6 4,-1.9 -5,-0.3 -3,-0.2 0.827 121.1 52.4-118.8 -50.5 85.2 5.4 72.8 87 87 A L H > S+ 0 0 38 -5,-0.5 4,-3.5 1,-0.2 5,-0.3 0.904 114.6 55.7 -54.4 -44.6 85.9 7.1 78.6 90 90 A Q H X S+ 0 0 33 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.953 112.9 38.2 -54.1 -55.4 88.8 8.7 76.7 91 91 A E H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.859 118.3 49.7 -70.8 -32.4 88.0 12.2 77.8 92 92 A V H X S+ 0 0 3 -4,-2.7 4,-2.9 -5,-0.3 5,-0.3 0.968 113.2 46.9 -66.9 -48.8 87.0 11.2 81.3 93 93 A T H X S+ 0 0 33 -4,-3.5 4,-2.5 -5,-0.3 5,-0.3 0.914 113.9 47.8 -57.9 -44.3 90.1 9.2 81.7 94 94 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.3 0.993 113.3 47.5 -63.6 -55.7 92.2 12.1 80.4 95 95 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 -71,-0.2 -2,-0.2 0.864 116.5 43.6 -49.2 -47.4 90.5 14.7 82.6 96 96 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.946 114.5 46.8 -68.4 -47.5 90.8 12.5 85.8 97 97 A T H X S+ 0 0 14 -4,-2.5 4,-2.3 -5,-0.3 149,-0.3 0.957 116.9 43.9 -61.9 -47.9 94.4 11.4 85.3 98 98 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.929 115.5 47.8 -61.1 -47.7 95.7 14.8 84.5 99 99 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.883 110.8 50.6 -63.4 -37.8 93.7 16.5 87.3 100 100 A Y H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.951 114.5 44.2 -65.7 -46.5 94.8 14.0 89.9 101 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.868 110.1 54.4 -64.6 -39.3 98.4 14.5 88.9 102 102 A K H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.927 108.6 51.5 -60.1 -40.3 98.0 18.3 88.8 103 103 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 109.7 48.7 -58.9 -52.1 96.7 17.9 92.4 104 104 A R H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 107,-0.3 0.921 114.4 44.3 -52.5 -54.4 99.7 15.9 93.5 105 105 A I H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.974 113.6 51.7 -53.4 -52.5 102.2 18.4 91.9 106 106 A D H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.775 106.8 51.5 -63.5 -32.7 100.3 21.4 93.3 107 107 A E H X S+ 0 0 12 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.962 113.8 44.2 -68.5 -49.5 100.2 20.2 96.8 108 108 A Y H >X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 3,-0.8 0.952 114.9 48.7 -57.5 -49.1 104.0 19.6 96.8 109 109 A L H 3X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.3 -1,-0.2 0.874 111.1 49.5 -64.4 -32.4 104.7 22.9 95.1 110 110 A N H 3X S+ 0 0 25 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.711 107.3 55.9 -80.4 -18.2 102.5 24.8 97.6 111 111 A L H XX S+ 0 0 13 -4,-1.4 4,-2.3 -3,-0.8 3,-0.6 0.979 111.6 42.7 -69.5 -50.6 104.3 23.1 100.5 112 112 A L H 3< S+ 0 0 1 -4,-2.2 11,-0.6 1,-0.3 12,-0.5 0.896 111.0 55.5 -57.9 -47.5 107.6 24.3 99.2 113 113 A L H 3< S+ 0 0 20 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.836 115.0 40.8 -56.8 -33.4 106.2 27.7 98.5 114 114 A Q H << S+ 0 0 42 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