==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-09 2WN6 . COMPND 2 MOLECULE: ADP-RIBOSYLTRANSFERASE ENZYMATIC COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR A.SUNDRIYAL,A.K.ROBERTS,C.C.SHONE,K.R.ACHARYA . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 19.1 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 . 3 0.7 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 . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 0 0 1 0 3 2 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 3 1 0 2 1 0 2 0 1 0 2 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 0 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 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 17 A L 0 0 91 0, 0.0 133,-3.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.8 26.2 7.3 31.0 2 18 A K + 0 0 151 131,-0.2 2,-1.6 1,-0.0 131,-0.1 0.341 360.0 118.0-105.3 1.5 28.9 4.6 31.4 3 19 A D > + 0 0 92 1,-0.2 4,-1.7 129,-0.1 5,-0.1 -0.518 33.4 167.3 -75.2 85.8 29.3 5.4 35.2 4 20 A K H > + 0 0 91 -2,-1.6 4,-2.4 2,-0.2 5,-0.3 0.940 69.5 52.7 -67.3 -51.5 28.2 2.1 36.7 5 21 A E H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 112.4 46.2 -55.7 -41.2 29.3 2.6 40.3 6 22 A K H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 113.3 47.3 -66.3 -49.9 27.4 6.0 40.6 7 23 A A H X S+ 0 0 14 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.856 111.8 49.4 -65.7 -38.1 24.2 4.7 39.0 8 24 A K H X S+ 0 0 59 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.893 112.3 47.4 -68.9 -41.9 23.9 1.5 41.1 9 25 A E H X S+ 0 0 64 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.919 116.7 44.3 -63.3 -46.1 24.5 3.4 44.4 10 26 A W H X S+ 0 0 112 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.915 113.9 50.4 -61.0 -47.5 21.9 6.0 43.4 11 27 A E H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.892 112.6 46.4 -60.5 -43.7 19.5 3.3 42.2 12 28 A R H X S+ 0 0 83 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.930 113.3 48.5 -64.5 -47.5 19.9 1.3 45.4 13 29 A K H X S+ 0 0 60 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.903 114.1 47.1 -58.2 -42.8 19.4 4.5 47.6 14 30 A E H X S+ 0 0 40 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.903 110.1 52.7 -67.8 -42.2 16.4 5.4 45.5 15 31 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.938 110.8 46.4 -55.2 -50.9 14.9 1.9 45.8 16 32 A E H X S+ 0 0 107 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.823 114.1 49.6 -66.1 -31.3 15.2 1.9 49.6 17 33 A R H >X S+ 0 0 103 -4,-1.7 3,-0.7 -5,-0.2 4,-0.5 0.917 112.4 45.8 -68.5 -47.8 13.7 5.4 49.7 18 34 A I H >X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 3,-1.3 0.833 99.8 69.9 -66.4 -34.2 10.7 4.5 47.4 19 35 A E H 3< S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 95.6 54.4 -55.6 -32.4 10.1 1.2 49.4 20 36 A Q H << S+ 0 0 163 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.758 106.8 52.6 -71.6 -26.8 8.9 3.3 52.3 21 37 A K H << S+ 0 0 101 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.844 87.1 104.0 -73.0 -38.0 6.4 5.1 50.0 22 38 A L S < S- 0 0 17 -4,-1.5 2,-0.1 1,-0.1 48,-0.0 -0.104 70.9-120.6 -61.0 141.6 4.7 2.0 48.6 23 39 A E > - 0 0 108 43,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.369 29.0-110.8 -68.9 156.2 1.2 0.7 49.7 24 40 A R H > S+ 0 0 197 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 121.3 51.4 -57.1 -42.1 1.0 -2.8 51.2 25 41 A S H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 110.5 48.9 -61.7 -36.8 -0.9 -4.0 48.0 26 42 A E H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 109.8 50.3 -70.4 -44.7 1.9 -2.4 45.8 27 43 A K H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.861 110.1 53.0 -58.0 -37.5 4.7 -4.1 47.9 28 44 A E H X S+ 0 0 136 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.908 109.2 46.8 -65.7 -43.8 2.7 -7.3 47.4 29 45 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.890 111.5 52.4 -64.0 -39.9 2.5 -6.9 43.6 30 46 A L H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.917 106.4 52.8 -63.6 -43.3 6.3 -6.1 43.6 31 47 A E H X S+ 0 0 94 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.904 111.0 47.6 -56.1 -43.0 7.0 -9.3 45.6 32 48 A S H >X S+ 0 0 31 -4,-1.8 4,-1.7 1,-0.2 3,-0.7 0.882 108.9 54.3 -64.7 -40.7 5.0 -11.3 43.0 33 49 A Y H 3X S+ 0 0 3 -4,-2.3 4,-0.8 1,-0.2 3,-0.4 0.931 102.1 57.0 -59.3 -47.1 6.9 -9.5 40.2 34 50 A K H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.739 116.6 37.4 -54.2 -26.0 10.3 -10.6 41.7 35 51 A K H << S+ 0 0 175 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.686 132.4 22.8 -98.3 -25.7 9.1 -14.2 41.4 36 52 A D H X S+ 0 0 50 -4,-1.7 4,-2.2 -3,-0.4 5,-0.2 -0.165 72.5 140.1-141.4 37.4 7.2 -14.1 38.1 37 53 A S H X + 0 0 41 -4,-0.8 4,-2.6 1,-0.2 5,-0.2 0.853 69.8 54.9 -58.0 -42.8 8.5 -11.2 36.1 38 54 A V H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.953 114.2 38.7 -57.9 -52.6 8.5 -12.9 32.7 39 55 A E H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 115.9 51.1 -72.4 -35.3 4.8 -13.9 32.8 40 56 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.919 112.0 47.6 -66.7 -42.6 3.6 -10.7 34.4 41 57 A S H X S+ 0 0 22 -4,-2.6 4,-0.7 -5,-0.2 86,-0.3 0.890 112.2 49.6 -64.9 -41.5 5.5 -8.5 31.8 42 58 A K H >X S+ 0 0 105 -4,-2.1 4,-1.2 -5,-0.2 3,-1.0 0.926 110.5 51.0 -60.2 -47.0 4.1 -10.6 29.0 43 59 A Y H 3X S+ 0 0 23 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.878 104.2 57.5 -55.6 -42.1 0.6 -10.2 30.5 44 60 A S H 3< S+ 0 0 0 -4,-2.1 82,-0.3 1,-0.2 -1,-0.2 0.700 103.8 55.5 -66.3 -19.1 1.0 -6.4 30.7 45 61 A Q H << S+ 0 0 77 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.861 124.3 16.5 -77.9 -41.6 1.6 -6.4 26.9 46 62 A T H >< S+ 0 0 35 -4,-1.2 3,-1.8 -3,-0.3 4,-0.2 0.356 88.8 107.6-118.7 4.0 -1.6 -8.1 25.7 47 63 A R G >< S+ 0 0 6 -4,-1.9 3,-1.1 1,-0.3 -3,-0.1 0.827 76.7 59.6 -53.0 -37.1 -4.0 -8.0 28.7 48 64 A N G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -4,-0.2 286,-0.1 0.389 90.3 69.3 -78.1 1.8 -6.2 -5.3 27.0 49 65 A Y G < S+ 0 0 4 -3,-1.8 -1,-0.2 286,-0.2 -2,-0.1 0.420 86.7 79.0-101.3 -2.2 -7.1 -7.4 23.9 50 66 A F S < S- 0 0 34 -3,-1.1 286,-1.3 -4,-0.2 2,-0.1 -0.293 95.2 -74.1 -93.8-179.3 -9.3 -9.9 25.8 51 67 A Y > - 0 0 40 284,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.444 43.9-111.8 -70.6 154.5 -12.9 -9.6 27.0 52 68 A D H > S+ 0 0 113 284,-0.4 4,-2.8 1,-0.2 5,-0.2 0.876 119.1 50.5 -50.8 -44.0 -13.6 -7.4 30.1 53 69 A Y H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 109.1 51.3 -70.0 -30.3 -14.5 -10.5 32.2 54 70 A Q H > S+ 0 0 62 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.907 111.5 48.8 -69.3 -42.1 -11.3 -12.2 31.1 55 71 A I H >< S+ 0 0 9 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.961 112.8 47.1 -57.6 -52.2 -9.4 -9.1 32.2 56 72 A E H 3< S+ 0 0 129 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.821 116.7 42.2 -59.7 -39.8 -11.2 -9.0 35.5 57 73 A A H 3< S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.607 82.6 121.2 -85.8 -18.2 -10.8 -12.6 36.4 58 74 A N X< - 0 0 61 -4,-1.4 3,-1.7 -3,-0.6 4,-0.5 -0.239 66.8-130.8 -57.6 134.7 -7.1 -13.1 35.2 59 75 A S T 3 S+ 0 0 94 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.618 106.9 45.0 -60.8 -13.2 -4.8 -14.2 38.1 60 76 A R T 3> S+ 0 0 63 2,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.387 86.4 91.1-112.4 2.3 -2.4 -11.4 37.2 61 77 A E H <> S+ 0 0 3 -3,-1.7 4,-2.2 2,-0.2 5,-0.1 0.866 87.3 46.7 -71.8 -41.3 -4.7 -8.5 36.7 62 78 A K H > S+ 0 0 166 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.905 113.6 50.7 -65.9 -40.7 -4.7 -7.2 40.3 63 79 A E H > S+ 0 0 48 -4,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 109.5 51.8 -59.7 -45.6 -0.8 -7.5 40.3 64 80 A Y H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.937 110.5 47.0 -52.9 -52.9 -0.8 -5.5 37.0 65 81 A K H X S+ 0 0 74 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 114.0 47.1 -63.2 -40.8 -2.9 -2.7 38.4 66 82 A E H X S+ 0 0 51 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.916 114.1 46.2 -66.5 -45.7 -0.9 -2.3 41.6 67 83 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.890 112.4 52.4 -64.5 -39.7 2.5 -2.4 39.8 68 84 A R H X S+ 0 0 84 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.941 111.8 46.0 -58.2 -50.3 1.1 0.1 37.3 69 85 A N H X S+ 0 0 56 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.891 110.7 51.9 -59.7 -45.5 0.0 2.4 40.2 70 86 A A H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.902 109.2 50.1 -60.6 -44.8 3.3 2.1 42.0 71 87 A I H >< S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 86,-0.6 0.875 107.6 54.9 -59.7 -40.7 5.3 3.0 38.9 72 88 A S H 3< S+ 0 0 53 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.706 97.4 63.3 -69.0 -22.5 3.1 6.1 38.3 73 89 A K T << S+ 0 0 112 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.2 0.494 97.0 60.3 -85.6 -4.8 3.7 7.6 41.8 74 90 A N S < S+ 0 0 19 -3,-1.1 83,-2.9 -4,-0.3 2,-0.3 -0.741 73.5 172.2-119.1 82.0 7.5 8.0 41.1 75 91 A K B -A 156 0A 106 -2,-0.4 81,-0.2 81,-0.2 2,-0.2 -0.721 34.1-117.3 -90.7 137.9 7.6 10.4 38.1 76 92 A I - 0 0 15 79,-2.4 78,-3.4 -2,-0.3 79,-0.1 -0.515 12.5-148.5 -74.8 141.1 10.9 11.8 36.9 77 93 A D S S+ 0 0 122 76,-0.2 76,-0.1 -2,-0.2 -1,-0.1 0.579 81.8 27.3 -90.6 -9.3 11.2 15.6 37.2 78 94 A K S S- 0 0 113 74,-0.1 76,-0.2 77,-0.1 77,-0.2 -0.940 100.6 -81.9-140.4 158.8 13.5 15.9 34.1 79 95 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 74,-0.1 -0.365 50.4-165.9 -61.6 146.5 14.0 13.7 31.0 80 96 A M E -B 151 0B 33 71,-2.3 71,-3.2 -4,-0.1 2,-0.3 -0.997 18.0-129.2-141.7 140.2 16.2 10.7 31.5 81 97 A Y E -B 150 0B 101 -2,-0.3 2,-0.3 69,-0.3 69,-0.2 -0.702 26.5-172.7 -87.5 139.2 18.1 8.2 29.3 82 98 A V E -B 149 0B 0 67,-2.3 67,-2.2 -2,-0.3 2,-0.4 -0.924 11.7-143.0-128.9 155.2 17.6 4.5 29.9 83 99 A Y E +BC 148 131B 6 48,-3.0 48,-3.0 -2,-0.3 2,-0.3 -0.953 27.0 150.8-118.7 139.2 19.3 1.4 28.5 84 100 A Y E -B 147 0B 12 63,-1.5 63,-3.0 -2,-0.4 2,-0.2 -0.952 39.7-113.9-159.8 150.3 17.9 -2.0 27.7 85 101 A F E -B 146 0B 30 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.559 34.7-172.9 -83.3 151.4 18.6 -4.8 25.2 86 102 A E E -B 145 0B 24 59,-2.3 59,-0.5 -2,-0.2 -2,-0.0 -0.974 27.0-112.3-143.7 150.7 16.1 -5.7 22.5 87 103 A S > - 0 0 47 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.685 24.7-131.9 -77.5 139.8 15.5 -8.2 19.8 88 104 A P G > >S+ 0 0 12 0, 0.0 5,-1.9 0, 0.0 3,-1.5 0.796 106.6 69.2 -59.7 -28.8 15.8 -6.9 16.2 89 105 A E G > 5S+ 0 0 90 1,-0.3 3,-2.3 3,-0.2 5,-0.1 0.791 82.4 71.9 -59.0 -31.3 12.4 -8.7 15.6 90 106 A K G < 5S+ 0 0 30 -3,-1.2 -1,-0.3 1,-0.3 4,-0.1 0.801 103.8 41.4 -53.4 -30.8 10.8 -6.1 17.8 91 107 A F G < 5S- 0 0 0 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.011 128.1 -97.2-108.3 25.7 11.4 -3.6 15.0 92 108 A A T < 5S+ 0 0 16 -3,-2.3 2,-0.9 1,-0.2 -3,-0.2 0.708 84.5 132.0 67.1 23.3 10.4 -6.0 12.2 93 109 A F < - 0 0 2 -5,-1.9 2,-1.6 -6,-0.1 -1,-0.2 -0.847 40.3-169.2 -99.5 90.4 14.0 -7.0 11.4 94 110 A N + 0 0 74 -2,-0.9 2,-0.3 -5,-0.1 -5,-0.1 -0.303 54.1 58.1 -89.4 52.8 13.1 -10.7 11.4 95 111 A K S S- 0 0 102 -2,-1.6 2,-0.1 3,-0.0 -2,-0.1 -0.952 92.8 -74.5-166.1 168.0 16.6 -12.1 11.4 96 112 A V - 0 0 93 -2,-0.3 3,-0.2 1,-0.1 -2,-0.0 -0.475 19.3-152.7 -78.7 145.1 19.9 -12.0 13.4 97 113 A I S S- 0 0 6 1,-0.5 9,-0.3 -2,-0.1 2,-0.3 0.850 86.5 -26.2 -77.4 -40.7 22.1 -8.9 13.3 98 114 A R S S- 0 0 6 7,-0.1 -1,-0.5 -3,-0.1 7,-0.1 -0.927 77.9 -94.7-157.6 162.2 25.0 -11.3 14.1 99 115 A T - 0 0 65 -2,-0.3 0, 0.0 -3,-0.2 0, 0.0 -0.362 37.8-113.5 -72.4 164.0 25.2 -14.7 15.8 100 116 A E S S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.1 43,-0.0 0.809 117.8 52.9 -73.9 -25.1 26.0 -14.7 19.5 101 117 A N S S+ 0 0 157 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 0.828 94.6 85.9 -72.9 -34.9 29.4 -16.4 18.8 102 118 A Q - 0 0 100 1,-0.1 -4,-0.1 2,-0.1 3,-0.0 -0.329 59.8-162.7 -65.1 150.0 30.3 -13.8 16.1 103 119 A N + 0 0 74 86,-0.1 87,-4.0 -2,-0.0 2,-0.3 0.696 65.9 68.3-101.3 -29.3 32.1 -10.6 17.2 104 120 A E - 0 0 117 85,-0.2 2,-0.5 0, 0.0 -2,-0.1 -0.649 59.2-154.4-102.2 149.8 31.5 -8.5 14.2 105 121 A I - 0 0 2 -2,-0.3 -7,-0.1 -7,-0.1 86,-0.1 -0.995 30.9-124.9-116.7 120.8 28.4 -6.9 12.6 106 122 A S > - 0 0 64 -2,-0.5 4,-2.2 -9,-0.3 5,-0.1 -0.224 13.5-121.2 -64.2 153.8 28.9 -6.3 8.8 107 123 A L H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.883 113.7 55.3 -61.1 -41.2 28.4 -2.9 7.3 108 124 A E H > S+ 0 0 169 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 109.2 45.4 -57.4 -47.6 25.7 -4.3 5.0 109 125 A K H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 112.0 52.3 -66.1 -41.5 23.7 -5.7 8.0 110 126 A F H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.961 113.4 43.9 -56.4 -52.7 24.1 -2.4 9.9 111 127 A N H X S+ 0 0 75 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.828 110.9 54.6 -63.9 -34.4 22.8 -0.5 6.8 112 128 A E H X S+ 0 0 69 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.881 108.3 49.0 -65.9 -39.1 19.9 -3.0 6.3 113 129 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.926 109.6 53.3 -64.7 -45.0 18.8 -2.5 9.9 114 130 A K H X S+ 0 0 65 -4,-2.2 4,-1.0 1,-0.2 3,-0.2 0.931 108.5 48.9 -50.1 -51.9 18.9 1.3 9.4 115 131 A E H < S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 109.9 53.3 -62.6 -30.6 16.7 1.0 6.3 116 132 A T H < S+ 0 0 27 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.860 113.8 38.9 -72.4 -39.4 14.2 -1.1 8.2 117 133 A I H >< S+ 0 0 6 -4,-1.8 3,-1.0 -3,-0.2 61,-0.4 0.493 89.8 121.7 -93.8 -4.0 13.7 1.2 11.1 118 134 A Q T 3< S- 0 0 93 -4,-1.0 3,-0.1 1,-0.2 61,-0.1 -0.337 81.4 -3.3 -66.3 136.0 13.7 4.4 9.1 119 135 A N T 3 S+ 0 0 150 59,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.816 105.1 120.2 55.2 36.3 10.8 6.8 9.2 120 136 A K < - 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