==== 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 HYDROLASE 01-OCT-06 2E02 . COMPND 2 MOLECULE: CYSTEINE PROTEINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.A.O'FARRELL,L.JOSHUA-TOR . 443 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 3 2 0 1 1 1 1 0 0 0 1 0 0 0 2 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 4 2 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 1 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 F > 0 0 184 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.2 18.9 38.4 1.8 2 -2 A Q H > + 0 0 170 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.901 360.0 47.6 -56.9 -43.1 18.2 41.6 3.8 3 -1 A G H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.922 111.9 47.5 -65.8 -45.5 19.7 40.1 6.9 4 0 A A H 4 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.855 112.6 51.4 -64.5 -34.2 22.8 38.8 5.3 5 1 A M H >< S+ 0 0 113 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.937 107.9 50.4 -67.6 -46.2 23.3 42.2 3.6 6 2 A S H 3< S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.808 109.7 54.5 -65.2 -9.0 22.9 44.1 6.9 7 3 A S T 3< S+ 0 0 105 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.544 91.0 93.3-108.8 1.9 25.5 41.7 8.3 8 4 A S S < S- 0 0 71 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.0 -0.425 88.2 -98.7 -85.5 158.9 28.2 42.3 5.7 9 5 A I - 0 0 140 -2,-0.1 2,-0.6 4,-0.0 -1,-0.1 -0.692 39.7-153.5 -77.5 117.7 31.0 44.8 5.9 10 6 A D > - 0 0 73 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.863 7.6-151.6 -98.5 119.7 29.8 47.8 3.9 11 7 A I H > S+ 0 0 121 -2,-0.6 4,-1.7 1,-0.2 5,-0.2 0.832 96.9 51.1 -57.7 -37.3 32.6 49.9 2.4 12 8 A S H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 108.5 53.9 -67.4 -40.5 30.6 53.1 2.4 13 9 A K H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.969 110.8 42.8 -58.1 -56.3 29.7 52.6 6.0 14 10 A I H X S+ 0 0 71 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.838 115.1 49.3 -62.6 -35.1 33.3 52.2 7.3 15 11 A N H X S+ 0 0 97 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.830 111.8 50.0 -73.6 -30.3 34.6 55.1 5.2 16 12 A S H X S+ 0 0 67 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.915 111.9 47.3 -72.3 -41.6 31.8 57.3 6.5 17 13 A W H X S+ 0 0 131 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.925 109.5 54.6 -63.4 -42.4 32.6 56.3 10.0 18 14 A N H X S+ 0 0 79 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 105.3 52.7 -56.3 -45.6 36.2 57.0 9.3 19 15 A K H X S+ 0 0 160 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.904 111.9 46.5 -56.0 -43.4 35.3 60.5 8.2 20 16 A E H >< S+ 0 0 120 -4,-1.8 3,-0.6 2,-0.2 -2,-0.2 0.895 112.6 47.7 -68.1 -42.0 33.5 61.0 11.4 21 17 A F H >< S+ 0 0 92 -4,-2.8 3,-1.6 1,-0.2 7,-0.2 0.883 107.6 58.0 -67.2 -36.9 36.2 59.6 13.7 22 18 A Q H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.703 97.7 60.0 -65.9 -21.2 38.8 61.7 11.9 23 19 A S T << S+ 0 0 97 -4,-0.7 2,-0.5 -3,-0.6 -1,-0.3 0.412 88.9 88.6 -87.8 4.1 36.9 64.9 12.7 24 20 A D S <> S- 0 0 80 -3,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.895 70.7-149.7-102.6 125.4 37.4 64.2 16.4 25 21 A L H > S+ 0 0 137 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.870 95.4 53.8 -63.6 -38.4 40.6 65.5 17.8 26 22 A T H > S+ 0 0 88 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.935 111.3 47.5 -62.7 -41.7 41.1 62.8 20.5 27 23 A H H > S+ 0 0 68 -6,-0.2 4,-2.8 1,-0.2 5,-0.2 0.890 109.0 53.5 -65.1 -40.7 40.8 60.2 17.7 28 24 A Q H X S+ 0 0 67 -4,-2.1 4,-1.1 -7,-0.2 -1,-0.2 0.859 114.1 42.6 -62.6 -37.4 43.2 62.1 15.4 29 25 A L H X S+ 0 0 114 -4,-2.0 4,-2.4 -5,-0.2 3,-0.3 0.938 112.6 54.1 -73.8 -46.0 45.8 62.1 18.2 30 26 A A H X S+ 0 0 19 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.875 109.3 45.3 -55.6 -42.8 45.0 58.5 19.2 31 27 A T H X S+ 0 0 41 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.827 110.6 56.4 -79.9 -15.4 45.6 57.0 15.7 32 28 A T H >< S+ 0 0 78 -4,-1.1 3,-0.6 -3,-0.3 4,-0.4 0.968 116.3 35.6 -69.4 -51.6 48.9 59.2 15.4 33 29 A V H >X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 3,-1.4 0.918 115.6 54.3 -66.8 -45.2 50.3 57.7 18.5 34 30 A L H 3< S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.581 102.2 56.4 -70.9 -10.7 48.9 54.2 18.1 35 31 A K T << S+ 0 0 149 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.583 115.4 41.5 -89.7 -13.2 50.4 53.7 14.7 36 32 A N T <4 S+ 0 0 106 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.782 117.9 30.9-100.4 -36.3 53.7 54.4 16.3 37 33 A Y S < S- 0 0 160 -4,-2.3 -1,-0.2 2,-0.0 2,-0.0 -0.938 82.1 -92.2-135.9 157.1 53.6 52.6 19.6 38 34 A N > - 0 0 91 -2,-0.3 4,-3.0 1,-0.1 3,-0.3 -0.304 40.4-125.4 -55.3 130.9 52.3 49.6 21.5 39 35 A A H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.876 109.7 50.5 -51.0 -43.2 49.1 50.5 23.2 40 36 A D H > S+ 0 0 73 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.895 113.9 43.7 -64.5 -40.5 50.4 49.4 26.6 41 37 A D H 4 S+ 0 0 121 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.878 118.4 45.1 -71.8 -37.8 53.6 51.4 26.3 42 38 A A H < S+ 0 0 37 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.892 118.2 40.7 -73.8 -38.9 51.7 54.4 24.9 43 39 A L H < S+ 0 0 26 -4,-2.9 292,-2.9 -5,-0.3 -1,-0.2 0.427 74.6 128.8 -94.1 1.3 48.9 54.4 27.5 44 40 A L B < -A 334 0A 41 -4,-0.8 2,-0.9 290,-0.2 290,-0.2 -0.395 56.7-137.1 -57.0 124.9 50.7 53.6 30.7 45 41 A N > - 0 0 43 288,-3.3 4,-2.6 1,-0.2 3,-0.4 -0.747 23.5-176.6 -95.1 100.3 49.6 56.3 33.1 46 42 A K H > S+ 0 0 152 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.780 83.7 61.5 -64.9 -25.7 52.4 57.7 35.1 47 43 A T H > S+ 0 0 112 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.910 112.2 38.6 -65.0 -41.4 50.1 60.0 37.1 48 44 A R H > S+ 0 0 41 -3,-0.4 4,-2.6 2,-0.2 3,-0.4 0.879 112.6 57.3 -74.1 -40.3 48.3 56.8 38.3 49 45 A L H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 100.6 60.2 -56.1 -43.6 51.6 55.0 38.6 50 46 A Q H < S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.0 32.1 -53.9 -43.6 52.8 57.7 41.0 51 47 A K H < S+ 0 0 116 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.815 120.9 48.8 -87.6 -31.1 50.1 57.2 43.6 52 48 A Q H < S+ 0 0 48 -4,-2.6 2,-2.7 1,-0.2 -2,-0.2 0.777 87.1 85.2 -80.0 -27.8 49.6 53.4 43.2 53 49 A D < + 0 0 55 -4,-2.6 2,-0.6 -5,-0.3 -1,-0.2 -0.400 59.8 149.9 -75.6 68.6 53.3 52.5 43.3 54 50 A N - 0 0 55 -2,-2.7 -3,-0.0 1,-0.1 -4,-0.0 -0.917 29.3-174.1-108.8 116.5 53.3 52.4 47.1 55 51 A R + 0 0 58 -2,-0.6 2,-0.5 341,-0.1 -1,-0.1 -0.050 49.0 111.7 -99.2 30.7 55.7 49.9 48.8 56 52 A V + 0 0 89 312,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.912 39.4 174.8-106.1 129.1 54.6 50.4 52.4 57 53 A F - 0 0 29 -2,-0.5 311,-0.2 1,-0.1 3,-0.1 -0.974 23.0-164.7-139.2 122.2 52.8 47.5 54.0 58 54 A N S S+ 0 0 66 -2,-0.4 2,-0.4 1,-0.2 310,-0.2 0.411 84.5 53.9 -85.7 2.1 51.7 47.3 57.6 59 55 A T E S+B 367 0B 21 308,-1.8 308,-2.2 2,-0.0 2,-0.3 -0.844 74.4 148.1-139.0 97.8 51.1 43.6 57.6 60 56 A V E -B 366 0B 62 -2,-0.4 306,-0.2 306,-0.2 2,-0.2 -0.917 46.1-112.4-134.2 158.8 54.1 41.6 56.4 61 57 A V 0 0 28 304,-1.7 249,-0.1 -2,-0.3 246,-0.1 -0.565 360.0 360.0 -82.3 150.3 55.8 38.2 56.9 62 58 A S 0 0 136 -2,-0.2 -1,-0.1 247,-0.1 248,-0.0 0.885 360.0 360.0 -93.3 360.0 59.2 38.3 58.6 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 73 A C > 0 0 41 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.4 56.3 28.9 39.4 65 74 A W H > + 0 0 9 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.893 360.0 49.2 -64.4 -34.3 53.7 26.7 41.0 66 75 A L H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 111.8 47.6 -71.2 -37.7 56.5 24.5 42.4 67 76 A F H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.924 114.4 46.4 -66.2 -46.4 58.4 27.5 43.8 68 77 A A H < S+ 0 0 7 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.811 113.8 48.3 -66.9 -32.4 55.3 29.0 45.4 69 78 A A H < S+ 0 0 5 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.789 118.1 39.4 -80.5 -26.9 54.1 25.8 46.9 70 79 A T H X S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.2 3,-0.2 0.644 89.3 90.1 -96.6 -17.9 57.5 24.9 48.4 71 80 A N H X S+ 0 0 20 -4,-1.7 4,-2.5 1,-0.2 -1,-0.1 0.839 89.1 47.9 -47.6 -44.3 58.6 28.4 49.6 72 81 A Q H > S+ 0 0 40 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.912 112.1 49.2 -65.8 -42.2 57.0 28.0 53.1 73 82 A L H > S+ 0 0 9 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.863 109.2 54.4 -64.7 -32.8 58.6 24.6 53.5 74 83 A R H X S+ 0 0 60 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.953 108.6 47.9 -64.3 -48.3 61.9 26.2 52.4 75 84 A L H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.898 107.0 57.1 -58.4 -43.3 61.5 28.8 55.2 76 85 A N H X S+ 0 0 31 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.943 109.8 43.8 -54.8 -50.6 60.7 26.1 57.7 77 86 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.934 110.2 56.8 -60.4 -46.1 64.0 24.3 57.0 78 87 A L H X>S+ 0 0 36 -4,-2.5 5,-1.9 1,-0.2 4,-0.5 0.882 115.6 36.5 -51.8 -43.6 65.8 27.6 57.0 79 88 A S H <5S+ 0 0 87 -4,-2.4 3,-0.4 3,-0.2 -1,-0.2 0.881 113.6 56.1 -79.6 -39.2 64.6 28.3 60.5 80 89 A E H <5S+ 0 0 96 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.802 119.9 30.9 -64.1 -29.1 64.7 24.8 61.8 81 90 A L H <5S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.415 104.0-122.7-110.7 1.5 68.4 24.4 60.9 82 91 A N T <5 + 0 0 72 -4,-0.5 151,-2.4 -3,-0.4 152,-0.3 0.973 50.1 167.2 56.8 60.1 69.5 28.0 61.4 83 92 A L < - 0 0 11 -5,-1.9 -1,-0.2 149,-0.3 149,-0.2 -0.730 44.3-141.2-105.4 155.5 70.9 28.5 57.9 84 93 A K S S+ 0 0 149 147,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.924 91.7 1.1 -75.8 -47.0 71.9 31.7 56.1 85 94 A E + 0 0 161 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.951 69.0 171.2-139.2 157.0 70.4 30.4 52.9 86 95 A F - 0 0 11 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.1 -0.962 8.2-169.6-164.5 150.1 68.6 27.2 51.8 87 96 A E - 0 0 81 -2,-0.3 64,-3.4 -10,-0.0 65,-0.4 -0.987 16.7-137.9-150.5 134.0 66.7 25.9 48.8 88 97 A L B -N 150 0C 2 -2,-0.3 2,-0.6 62,-0.3 3,-0.1 -0.585 40.2 -99.2 -85.2 151.5 64.6 22.8 48.1 89 98 A S > - 0 0 1 60,-2.8 4,-0.6 -2,-0.2 60,-0.3 -0.622 35.9-179.5 -75.4 119.6 65.1 21.0 44.9 90 99 A Q H > S+ 0 0 42 -2,-0.6 4,-2.3 2,-0.2 3,-0.3 0.826 82.8 61.8 -81.5 -37.1 62.4 22.1 42.4 91 100 A A H > S+ 0 0 5 63,-0.3 4,-2.5 1,-0.2 5,-0.2 0.787 93.9 64.1 -58.1 -31.8 63.8 19.7 39.8 92 101 A Y H > S+ 0 0 0 62,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.954 110.9 35.3 -57.8 -52.5 63.1 16.8 42.1 93 102 A L H X S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.3 -2,-0.2 0.838 113.2 59.5 -70.7 -37.1 59.3 17.4 41.9 94 103 A F H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.914 104.4 51.5 -59.1 -43.8 59.5 18.5 38.3 95 104 A F H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.958 115.4 39.2 -59.2 -53.5 60.9 15.1 37.3 96 105 A Y H X S+ 0 0 16 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.805 111.7 58.3 -70.6 -27.3 58.2 13.0 39.0 97 106 A D H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.935 110.5 42.9 -65.2 -45.2 55.4 15.4 38.0 98 107 A K H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.877 115.4 48.0 -68.5 -40.5 56.3 14.9 34.4 99 108 A L H X S+ 0 0 36 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.926 115.0 46.4 -66.8 -44.6 56.7 11.2 34.7 100 109 A E H X S+ 0 0 9 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.960 110.7 51.4 -63.3 -51.1 53.4 10.9 36.6 101 110 A K H X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.912 110.2 50.0 -52.0 -46.7 51.5 13.1 34.2 102 111 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.931 113.9 44.6 -59.5 -44.9 52.7 11.0 31.2 103 112 A N H X S+ 0 0 26 -4,-2.1 4,-1.4 1,-0.2 3,-0.2 0.913 112.2 52.4 -64.4 -42.1 51.7 7.8 33.0 104 113 A Y H X S+ 0 0 38 -4,-3.3 4,-2.4 177,-0.4 -1,-0.2 0.856 103.6 58.6 -60.3 -39.0 48.3 9.3 34.0 105 114 A F H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.888 100.8 55.2 -58.2 -43.3 47.7 10.3 30.4 106 115 A L H X S+ 0 0 1 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.2 0.920 109.7 47.2 -58.1 -42.8 48.0 6.6 29.4 107 116 A D H X S+ 0 0 40 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.906 108.3 54.4 -65.5 -41.9 45.2 5.8 31.9 108 117 A Q H < S+ 0 0 11 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.874 108.7 50.4 -58.6 -38.0 43.1 8.7 30.7 109 118 A I H >< S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.870 110.7 47.5 -68.7 -39.8 43.3 7.3 27.2 110 119 A V H >< S+ 0 0 18 -4,-1.8 3,-1.6 1,-0.2 4,-0.2 0.946 110.0 52.5 -68.0 -45.6 42.3 3.8 28.3 111 120 A S T 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.556 116.5 39.8 -68.4 -7.6 39.4 5.1 30.3 112 121 A S T X S+ 0 0 0 -3,-0.5 3,-1.6 -4,-0.4 -1,-0.3 0.217 77.3 114.0-123.3 13.5 38.1 7.0 27.3 113 122 A A T < S+ 0 0 17 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.761 70.8 65.9 -54.9 -26.2 38.8 4.4 24.7 114 123 A D T 3 S+ 0 0 135 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.822 88.5 78.7 -68.5 -30.9 35.1 4.1 24.2 115 124 A Q S < S- 0 0 79 -3,-1.6 -3,-0.1 1,-0.1 0, 0.0 -0.427 94.3 -93.3 -79.4 155.5 34.7 7.6 22.8 116 125 A D > - 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