==== 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 2E00 . COMPND 2 MOLECULE: CYSTEINE PROTEINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.A.O'FARRELL,L.JOSHUA-TOR . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 3 2 0 1 1 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 5 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 0 188 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -49.5 18.9 37.7 1.9 2 -2 A Q H > + 0 0 167 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 360.0 48.4 -60.3 -38.8 17.9 40.9 3.7 3 -1 A G H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 113.1 46.1 -66.6 -46.8 19.3 39.6 7.0 4 0 A A H > S+ 0 0 62 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.861 112.6 51.6 -63.7 -36.5 22.6 38.5 5.5 5 1 A M H >< S+ 0 0 115 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.955 111.9 45.4 -64.7 -50.3 22.9 41.8 3.6 6 2 A S H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 112.5 53.0 -63.6 -28.4 22.3 43.8 6.8 7 3 A S H 3< S+ 0 0 104 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.512 94.4 95.3 -85.0 -8.2 24.8 41.5 8.6 8 4 A S S << S- 0 0 70 -3,-1.3 2,-0.7 -4,-0.5 -3,-0.0 -0.330 87.9-100.6 -81.9 163.0 27.5 42.1 6.0 9 5 A I - 0 0 134 -2,-0.1 2,-0.6 4,-0.0 -1,-0.1 -0.782 39.3-153.4 -83.3 116.3 30.4 44.6 6.2 10 6 A D > - 0 0 73 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.861 8.7-148.9 -96.6 124.9 29.2 47.4 3.9 11 7 A I H > S+ 0 0 123 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.863 98.1 51.6 -59.5 -39.7 32.1 49.4 2.4 12 8 A S H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 109.2 51.8 -64.1 -42.9 30.1 52.6 2.3 13 9 A K H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.931 110.5 45.8 -59.0 -51.7 29.2 52.3 6.0 14 10 A I H X S+ 0 0 67 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.881 114.2 48.1 -63.1 -37.9 32.8 51.7 7.2 15 11 A N H X S+ 0 0 99 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.849 112.9 49.5 -71.2 -30.2 34.2 54.6 5.1 16 12 A S H X S+ 0 0 71 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 111.6 48.0 -71.6 -44.1 31.3 56.8 6.4 17 13 A W H X S+ 0 0 134 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.901 108.4 56.6 -61.2 -40.1 32.1 55.8 10.0 18 14 A N H X S+ 0 0 81 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.914 105.0 50.2 -58.7 -45.6 35.8 56.5 9.3 19 15 A K H X S+ 0 0 168 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.929 111.8 49.0 -59.0 -44.9 35.0 60.1 8.3 20 16 A E H >< S+ 0 0 129 -4,-2.0 3,-1.1 1,-0.2 4,-0.2 0.943 112.5 46.7 -60.0 -49.9 33.0 60.5 11.5 21 17 A F H >< S+ 0 0 95 -4,-2.9 3,-1.9 1,-0.2 7,-0.3 0.902 107.3 57.6 -60.2 -41.2 35.7 59.1 13.7 22 18 A Q H 3< S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.666 96.9 63.7 -64.9 -16.9 38.4 61.2 12.0 23 19 A S T << S+ 0 0 93 -3,-1.1 2,-0.6 -4,-0.8 -1,-0.3 0.502 87.3 86.4 -83.8 -8.0 36.5 64.4 12.9 24 20 A D S <> S- 0 0 82 -3,-1.9 4,-2.2 -4,-0.2 5,-0.1 -0.866 70.8-149.4 -97.8 124.8 37.0 63.6 16.6 25 21 A L H > S+ 0 0 135 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.808 96.5 54.5 -61.2 -34.7 40.3 64.9 18.1 26 22 A T H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.935 110.5 47.0 -66.9 -41.7 40.7 62.1 20.6 27 23 A H H > S+ 0 0 67 -6,-0.2 4,-2.8 2,-0.2 5,-0.3 0.897 109.6 53.3 -65.0 -42.8 40.4 59.5 17.8 28 24 A Q H X S+ 0 0 74 -4,-2.2 4,-1.4 -7,-0.3 -1,-0.2 0.927 114.0 43.3 -57.8 -45.6 42.9 61.4 15.7 29 25 A L H X S+ 0 0 116 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.929 113.3 51.6 -65.0 -48.0 45.4 61.3 18.6 30 26 A A H X S+ 0 0 18 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.909 110.3 46.6 -57.5 -48.4 44.6 57.7 19.5 31 27 A T H X S+ 0 0 38 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.836 110.6 53.9 -67.4 -30.7 45.2 56.3 15.9 32 28 A T H >< S+ 0 0 79 -4,-1.4 3,-0.7 -5,-0.3 4,-0.5 0.976 116.9 36.4 -65.6 -52.0 48.4 58.3 15.5 33 29 A V H >X S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.2 3,-1.5 0.917 113.1 57.3 -67.4 -44.7 49.9 56.9 18.7 34 30 A L H 3< S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.573 102.1 55.1 -67.2 -11.8 48.4 53.4 18.4 35 31 A K T << S+ 0 0 148 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.603 112.3 46.5 -91.0 -15.2 50.0 52.8 15.0 36 32 A N T <4 S+ 0 0 104 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.831 116.5 21.9 -94.3 -38.9 53.4 53.6 16.6 37 33 A Y S < S- 0 0 162 -4,-1.9 -1,-0.2 2,-0.0 5,-0.0 -0.924 85.8 -84.6-136.3 159.4 53.5 51.6 19.9 38 34 A N > - 0 0 92 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.315 45.2-121.0 -55.3 137.6 52.1 48.6 21.7 39 35 A A H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.830 111.6 49.8 -54.6 -39.6 48.8 49.6 23.4 40 36 A D H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.878 112.5 47.8 -68.3 -37.6 50.0 48.7 26.9 41 37 A D H 4 S+ 0 0 118 -3,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.920 116.5 43.8 -67.9 -44.1 53.2 50.7 26.4 42 38 A A H < S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.918 119.2 40.8 -67.4 -45.1 51.3 53.7 25.0 43 39 A L H < S+ 0 0 25 -4,-2.7 305,-3.0 -5,-0.2 -1,-0.2 0.429 73.7 131.1 -89.2 -0.6 48.5 53.7 27.6 44 40 A L B < -A 347 0A 44 -4,-1.0 2,-1.0 -3,-0.3 303,-0.2 -0.351 55.7-137.1 -54.0 122.2 50.4 52.9 30.8 45 41 A N > - 0 0 42 301,-3.2 4,-2.6 1,-0.2 3,-0.3 -0.740 23.7-177.7 -92.3 99.2 49.2 55.6 33.2 46 42 A K H > S+ 0 0 158 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.753 83.1 61.8 -66.0 -24.3 52.1 57.0 35.2 47 43 A T H > S+ 0 0 103 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 111.6 39.3 -66.8 -40.3 49.8 59.2 37.2 48 44 A R H >> S+ 0 0 50 -3,-0.3 4,-2.6 2,-0.2 3,-0.7 0.902 113.0 56.2 -72.7 -43.4 48.2 56.0 38.5 49 45 A L H 3X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.890 98.2 62.4 -55.9 -44.6 51.5 54.2 38.8 50 46 A Q H 3< S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.5 33.0 -51.0 -39.9 52.9 56.9 41.1 51 47 A K H << S+ 0 0 123 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.893 119.4 47.8 -86.2 -43.1 50.2 56.1 43.7 52 48 A Q H < S+ 0 0 53 -4,-2.6 2,-2.4 1,-0.2 -2,-0.2 0.743 87.5 84.0 -73.6 -27.7 49.7 52.4 43.3 53 49 A D < + 0 0 60 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.503 61.7 148.1 -78.3 74.9 53.3 51.3 43.3 54 50 A N - 0 0 54 -2,-2.4 -3,-0.0 1,-0.1 -4,-0.0 -0.955 29.9-176.3-116.5 115.0 53.4 51.3 47.1 55 51 A R + 0 0 54 -2,-0.5 2,-0.6 354,-0.1 -1,-0.1 0.060 47.5 113.7-100.0 25.3 55.7 48.7 48.7 56 52 A V + 0 0 93 325,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.864 40.4 176.3 -98.2 121.4 54.7 49.5 52.4 57 53 A F - 0 0 27 -2,-0.6 324,-0.2 1,-0.1 3,-0.1 -0.984 22.9-168.6-130.8 123.8 52.9 46.5 54.0 58 54 A N S S+ 0 0 85 -2,-0.4 2,-0.4 1,-0.2 323,-0.2 0.533 82.1 55.6 -86.0 -6.1 51.8 46.4 57.6 59 55 A T E S+B 380 0B 18 321,-2.1 321,-2.1 2,-0.0 2,-0.3 -0.839 72.5 144.9-131.4 93.7 51.0 42.7 57.6 60 56 A V E -B 379 0B 61 -2,-0.4 319,-0.2 319,-0.3 2,-0.1 -0.865 49.6-103.4-128.6 160.5 53.9 40.5 56.5 61 57 A V - 0 0 11 317,-1.7 262,-0.1 -2,-0.3 259,-0.1 -0.421 32.7-122.5 -75.4 159.7 55.4 37.1 57.3 62 58 A S S S+ 0 0 86 260,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.750 87.3 71.9 -77.1 -24.6 58.5 37.0 59.5 63 59 A T S S- 0 0 27 259,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.778 75.5-131.4-101.2 137.5 60.8 35.2 57.1 64 60 A D - 0 0 116 -2,-0.4 2,-1.3 1,-0.1 -2,-0.1 -0.518 21.7-117.1 -82.4 149.8 62.3 36.5 53.9 65 61 A S - 0 0 29 -2,-0.2 -1,-0.1 33,-0.0 33,-0.0 -0.694 42.9-156.2 -89.9 89.8 62.1 34.7 50.6 66 62 A T + 0 0 51 -2,-1.3 33,-1.8 33,-0.1 2,-0.1 -0.971 62.7 16.1-124.1 128.0 65.8 34.1 49.8 67 63 A P S S- 0 0 32 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.638 86.8-118.1 -91.9 179.9 66.8 33.6 47.2 68 64 A V - 0 0 45 -2,-0.1 332,-0.3 1,-0.1 2,-0.2 -0.579 35.6-135.5 -72.9 132.9 64.3 34.6 44.5 69 65 A T - 0 0 2 327,-0.4 330,-2.4 -2,-0.3 2,-0.4 -0.575 14.6-159.2 -92.1 157.6 63.4 31.6 42.4 70 66 A N B -N 398 0C 54 328,-0.3 328,-0.3 -2,-0.2 327,-0.0 -0.933 14.8-172.4-142.2 112.2 63.1 31.3 38.6 71 67 A Q - 0 0 8 326,-2.7 5,-0.1 -2,-0.4 327,-0.1 0.639 33.1-167.0 -73.9 -15.5 61.1 28.5 36.9 72 68 A K - 0 0 116 325,-0.3 2,-2.0 1,-0.2 -1,-0.2 -0.263 59.5 -6.6 59.9-145.4 62.6 29.8 33.6 73 69 A S B S+o 176 0D 89 102,-1.9 104,-1.4 2,-0.1 105,-0.5 -0.440 114.6 88.4 -82.3 68.2 60.9 28.5 30.3 74 70 A S S S- 0 0 14 -2,-2.0 2,-0.3 102,-0.2 3,-0.2 -0.965 80.8-118.6-154.7 158.1 58.6 26.0 32.0 75 71 A G S S+ 0 0 15 -2,-0.3 3,-0.3 1,-0.2 72,-0.2 -0.258 71.2 122.4 -97.2 47.3 55.1 26.1 33.5 76 72 A R >> + 0 0 0 -2,-0.3 4,-2.1 1,-0.2 3,-0.6 0.168 25.8 120.5 -94.0 18.4 56.2 25.1 37.0 77 73 A C H 3> S+ 0 0 0 380,-0.4 4,-3.1 1,-0.2 5,-0.3 0.891 72.9 53.4 -46.8 -50.5 54.8 28.2 38.8 78 74 A W H 3> S+ 0 0 0 378,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.852 108.8 48.2 -55.8 -43.1 52.5 26.1 41.0 79 75 A L H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.899 113.5 48.0 -66.4 -41.3 55.4 23.9 42.3 80 76 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 115.0 44.3 -65.3 -46.2 57.6 27.0 43.0 81 77 A A H X S+ 0 0 3 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.889 113.7 50.5 -66.0 -39.5 54.7 28.8 44.8 82 78 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.903 118.9 37.2 -65.7 -41.9 53.8 25.6 46.8 83 79 A T H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.764 109.0 63.4 -79.9 -27.5 57.4 25.0 47.8 84 80 A N H X S+ 0 0 2 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.836 103.3 51.4 -63.7 -30.1 58.0 28.8 48.2 85 81 A Q H < S+ 0 0 21 -4,-1.4 239,-0.3 -5,-0.2 4,-0.2 0.915 117.2 36.9 -71.9 -42.4 55.4 28.6 51.0 86 82 A L H >X S+ 0 0 4 -4,-1.1 3,-1.8 1,-0.2 4,-0.8 0.795 101.6 71.7 -81.4 -30.9 57.1 25.7 52.8 87 83 A R H >X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.3 3,-0.8 0.840 87.6 67.3 -54.1 -36.0 60.7 26.7 52.2 88 84 A L H 3X S+ 0 0 12 -4,-0.7 4,-2.2 1,-0.3 -1,-0.3 0.800 94.1 58.6 -55.3 -31.4 60.2 29.5 54.7 89 85 A N H <> S+ 0 0 51 -3,-1.8 4,-1.9 -4,-0.2 -1,-0.3 0.855 109.4 42.0 -68.3 -37.6 59.8 26.9 57.4 90 86 A V H S+ 0 0 7 -4,-2.5 5,-1.7 1,-0.2 4,-0.4 0.904 115.6 40.8 -56.8 -46.4 64.9 28.9 56.4 92 88 A S H ><5S+ 0 0 72 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.943 119.5 41.6 -69.7 -52.2 63.5 30.1 59.8 93 89 A E H 3<5S+ 0 0 99 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.886 121.4 40.0 -66.3 -41.5 64.1 26.9 61.8 94 90 A L T 3<5S- 0 0 23 -4,-2.7 -1,-0.2 -5,-0.2 152,-0.2 0.391 103.7-126.7 -90.9 4.0 67.5 26.1 60.4 95 91 A N T < 5 + 0 0 59 -3,-0.5 151,-2.4 -4,-0.4 2,-0.3 0.940 48.5 166.7 50.3 58.7 68.7 29.7 60.4 96 92 A L < - 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0 0 111 -2,-0.2 3,-2.0 1,-0.1 6,-0.3 -0.310 29.9-117.8 -66.0 149.2 35.0 8.2 19.3 130 126 A I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 5,-0.1 -2,-0.0 0.856 116.6 50.1 -55.5 -36.4 38.5 9.5 18.5 131 127 A D T 3 S+ 0 0 119 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.330 85.0 124.1 -86.9 6.7 36.9 12.8 17.5 132 128 A S S <> S- 0 0 19 -3,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.258 74.7-113.6 -64.5 157.5 34.9 13.1 20.7 133 129 A R H > S+ 0 0 177 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.872 113.6 46.2 -60.8 -41.2 35.4 16.2 22.8 134 130 A L H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 112.9 45.9 -69.0 -51.9 36.9 14.3 25.7 135 131 A V H > S+ 0 0 0 -6,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.916 114.2 49.0 -60.4 -42.7 39.4 12.1 23.8 136 132 A Q H X S+ 0 0 94 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.892 110.9 51.2 -63.8 -37.9 40.6 15.1 21.7 137 133 A Y H X S+ 0 0 93 -4,-1.6 4,-0.7 -5,-0.2 3,-0.5 0.882 108.3 51.7 -66.3 -38.8 41.0 17.1 24.9 138 134 A L H < S+ 0 0 14 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.882 110.9 48.5 -64.3 -36.3 43.1 14.3 26.5 139 135 A L H < S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.612 94.8 78.2 -78.9 -15.0 45.3 14.3 23.4 140 136 A A H < S- 0 0 61 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.915 118.0 -11.7 -63.0 -50.0 45.9 18.0 23.3 141 137 A A >< + 0 0 47 -4,-0.7 3,-1.2 -3,-0.3 -1,-0.2 -0.349 66.9 161.1-156.3 68.7 48.5 18.4 26.1 142 138 A P T 3 S+ 0 0 15 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 0.730 81.1 40.7 -63.4 -26.9 49.0 15.3 28.3 143 139 A T T 3 S+ 0 0 2 38,-0.1 -28,-0.1 -28,-0.1 -29,-0.1 0.125 78.1 151.5-112.5 21.8 52.4 16.3 29.7 144 140 A E < - 0 0 69 -3,-1.2 -30,-0.1 1,-0.1 -3,-0.0 -0.140 48.2-130.1 -51.0 147.0 51.8 20.0 30.3 145 141 A D S S+ 0 0 10 2,-0.0 -1,-0.1 -34,-0.0 311,-0.1 0.758 75.0 97.4 -72.7 -28.8 53.9 21.5 33.2 146 142 A G + 0 0 1 309,-0.1 311,-0.3 -68,-0.1 2,-0.3 -0.162 45.8 157.1 -66.0 157.1 51.0 23.2 35.0 147 143 A G B -Q 456 0F 0 309,-1.3 309,-2.8 -72,-0.2 2,-0.2 -0.937 32.7-104.2-162.3-177.1 49.1 21.8 38.0 148 144 A Q > - 0 0 0 -2,-0.3 4,-1.5 307,-0.2 3,-0.2 -0.699 37.8-104.8-115.2 169.8 46.9 22.4 41.0 149 145 A Y H > S+ 0 0 6 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.859 120.8 54.4 -64.4 -36.1 47.6 22.4 44.8 150 146 A S H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 149,-0.3 0.862 106.6 52.1 -64.5 -36.2 45.8 19.0 45.2 151 147 A M H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.843 107.8 53.5 -68.0 -31.8 48.1 17.6 42.5 152 148 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.925 108.9 46.9 -68.0 -45.7 51.0 19.0 44.5 153 149 A L H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.853 106.2 60.0 -65.0 -33.6 49.9 17.2 47.7 154 150 A N H X S+ 0 0 8 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.910 109.2 43.3 -58.2 -44.0 49.4 14.0 45.7 155 151 A L H X>S+ 0 0 0 -4,-1.5 4,-3.5 2,-0.2 5,-0.5 0.910 113.7 49.6 -69.7 -43.4 53.1 14.1 44.8 156 152 A V H X5S+ 0 0 4 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.870 106.9 55.3 -66.2 -35.0 54.3 15.0 48.3 157 153 A K H <5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 120.7 31.2 -64.2 -37.0 52.2 12.2 49.9 158 154 A K H <5S+ 0 0 100 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.834 136.6 20.7 -89.8 -36.7 54.0 9.7 47.6 159 155 A Y H <5S- 0 0 18 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.614 84.6-155.5-111.1 -18.4 57.4 11.2 47.1 160 156 A G << - 0 0 0 -4,-1.6 2,-0.3 -5,-0.5 98,-0.3 -0.362 30.4 -72.7 75.6-153.4 58.0 13.6 49.9 161 157 A L - 0 0 1 96,-2.4 100,-0.3 95,-0.2 99,-0.2 -0.983 37.5-170.2-145.8 151.3 60.5 16.5 49.6 162 158 A I - 0 0 1 -2,-0.3 -60,-3.1 -60,-0.2 -57,-0.1 -0.953 35.5 -89.7-140.4 158.3 64.3 17.1 49.4 163 159 A P B >> -P 101 0E 0 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.424 33.5-124.4 -67.1 142.4 66.7 20.0 49.5 164 160 A K G >4 S+ 0 0 57 -64,-2.4 3,-0.8 1,-0.3 -63,-0.1 0.786 106.0 75.8 -57.4 -27.5 67.6 21.5 46.1 165 161 A D G 34 S+ 0 0 118 -65,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.751 97.6 46.3 -56.9 -25.8 71.2 20.9 47.0 166 162 A L G <4 S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.701 131.5 10.7 -90.3 -19.4 70.6 17.2 46.2 167 163 A Y S << S+ 0 0 25 -3,-0.8 -62,-0.4 -4,-0.6 -63,-0.3 -0.739 80.2 165.3-162.9 100.0 68.7 17.6 43.0 168 164 A G - 0 0 19 -2,-0.2 2,-0.4 -3,-0.2 -3,-0.1 -0.303 52.9 -75.7-110.1-165.8 68.5 21.0 41.2 169 165 A D S S+ 0 0 31 1,-0.2 6,-0.1 -2,-0.1 5,-0.1 -0.077 79.9 125.1 -83.3 36.0 67.6 22.6 37.8 170 166 A L + 0 0 167 -2,-0.4 -1,-0.2 4,-0.1 5,-0.1 0.936 46.8 86.6 -62.0 -48.4 70.8 21.4 36.1 171 167 A P S >> S- 0 0 34 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.222 81.1-127.7 -58.8 140.1 69.2 19.6 33.2 172 168 A Y H >> S+ 0 0 169 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.871 106.4 59.2 -51.9 -43.6 68.3 21.7 30.1 173 169 A S H 34 S+ 0 0 5 54,-0.5 -1,-0.3 1,-0.2 8,-0.1 0.660 93.0 64.4 -66.1 -19.2 64.7 20.4 30.1 174 170 A T H <4 S+ 0 0 0 -3,-1.4 3,-0.3 53,-0.2 -1,-0.2 0.839 115.5 30.7 -72.1 -32.0 63.9 21.7 33.6 175 171 A T H << S+ 0 0 37 -3,-0.8 -102,-1.9 -4,-0.7 -2,-0.2 0.418 135.1 29.6-105.6 -0.1 64.4 25.3 32.4 176 172 A A B < +o 73 0D 19 -4,-0.7 4,-0.4 -5,-0.2 3,-0.3 -0.538 70.0 160.0-157.7 74.2 63.3 24.8 28.8 177 173 A S > + 0 0 4 -104,-1.4 4,-2.6 -3,-0.3 5,-0.2 0.527 46.1 94.0 -80.4 -10.4 60.7 21.9 28.9 178 174 A R H > S+ 0 0 214 -105,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.897 87.1 43.5 -51.7 -52.9 58.9 22.6 25.6 179 175 A K H > S+ 0 0 125 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.916 114.4 50.2 -61.9 -45.7 61.0 20.2 23.4 180 176 A W H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.925 112.0 49.0 -57.7 -46.0 61.0 17.4 26.0 181 177 A N H X S+ 0 0 23 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.894 110.2 51.5 -61.0 -41.4 57.2 17.8 26.3 182 178 A S H X S+ 0 0 59 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.938 110.7 47.4 -61.4 -48.9 56.8 17.7 22.5 183 179 A L H X S+ 0 0 71 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.871 115.4 45.0 -61.9 -40.6 58.8 14.5 22.2 184 180 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.8 50.6 -69.4 -46.0 56.9 12.7 25.0 185 181 A T H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.866 106.0 54.9 -60.7 -38.2 53.5 13.9 23.8 186 182 A T H X S+ 0 0 84 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.918 111.5 45.8 -62.1 -41.8 54.2 12.6 20.3 187 183 A K H X S+ 0 0 58 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.896 110.6 52.6 -65.8 -44.4 54.9 9.2 21.8 188 184 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.865 106.8 52.8 -61.3 -36.5 51.9 9.3 24.0 189 185 A R H X S+ 0 0 117 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.862 109.6 49.4 -67.2 -34.8 49.7 10.1 21.0 190 186 A E H X S+ 0 0 89 -4,-1.4 4,-2.0 -5,-0.2 3,-0.3 0.943 112.5 48.1 -65.7 -46.8 51.2 7.0 19.2 191 187 A F H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.855 103.4 60.5 -62.0 -39.0 50.4 5.0 22.4 192 188 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 108.6 45.0 -56.8 -41.3 46.8 6.2 22.6 193 189 A E H X S+ 0 0 130 -4,-1.3 4,-2.7 -3,-0.3 5,-0.3 0.928 111.5 51.0 -68.6 -46.7 46.2 4.7 19.2 194 190 A T H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 113.8 46.5 -57.3 -42.2 47.9 1.4 20.0 195 191 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.940 113.7 46.1 -65.5 -50.4 45.9 1.2 23.2 196 192 A R H X S+ 0 0 35 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.873 113.3 50.1 -61.8 -38.9 42.5 2.0 21.6 197 193 A T H >X S+ 0 0 71 -4,-2.7 3,-1.1 1,-0.2 4,-0.5 0.940 111.7 47.3 -65.3 -46.5 43.1 -0.3 18.7 198 194 A A H >X S+ 0 0 17 -4,-2.2 4,-1.2 -5,-0.3 3,-0.6 0.808 109.0 56.4 -64.3 -30.7 44.0 -3.2 21.0 199 195 A L H 3< S+ 0 0 27 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.608 88.0 75.7 -77.6 -13.7 40.9 -2.5 23.1 200 196 A K H << S+ 0 0 171 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.833 112.9 24.2 -67.0 -29.1 38.6 -2.8 20.1 201 197 A E H << S+ 0 0 154 -3,-0.6 2,-0.3 -4,-0.5 -2,-0.2 0.625 126.4 46.6-108.4 -19.9 39.0 -6.6 20.4 202 198 A R S < S- 0 0 97 -4,-1.2 2,-0.2 4,-0.1 -1,-0.1 -0.871 77.1-115.0-126.9 158.3 40.0 -7.0 24.1 203 199 A S > - 0 0 57 -2,-0.3 3,-2.2 1,-0.1 6,-0.3 -0.543 34.8-109.8 -86.5 155.9 38.9 -5.8 27.5 204 200 A A T 3 S+ 0 0 41 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.781 118.7 57.7 -54.9 -30.6 41.1 -3.5 29.6 205 201 A D T 3 S+ 0 0 132 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.561 78.7 118.2 -78.7 -9.4 41.6 -6.4 32.1 206 202 A D S X> S- 0 0 39 -3,-2.2 4,-2.1 1,-0.1 3,-1.2 -0.374 74.0-126.9 -60.9 132.7 43.0 -8.7 29.3 207 203 A S H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.768 109.8 62.0 -52.1 -29.0 46.6 -9.7 30.1 208 204 A I H 3> S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.896 107.0 42.8 -65.4 -40.6 47.5 -8.4 26.6 209 205 A I H <> S+ 0 0 0 -3,-1.2 4,-3.0 -6,-0.3 -2,-0.2 0.903 112.5 53.4 -71.6 -42.1 46.4 -4.8 27.5 210 206 A V H X S+ 0 0 81 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.883 112.4 44.5 -59.3 -41.6 48.1 -5.1 31.0 211 207 A T H X S+ 0 0 71 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.920 112.1 52.7 -69.7 -43.1 51.4 -6.1 29.3 212 208 A L H X S+ 0 0 31 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.937 108.8 50.0 -58.3 -47.2 51.0 -3.3 26.7 213 209 A R H X S+ 0 0 53 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.881 110.3 49.7 -60.7 -40.3 50.4 -0.7 29.4 214 210 A E H X S+ 0 0 138 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.899 108.6 51.9 -67.0 -40.3 53.5 -1.8 31.3 215 211 A Q H X S+ 0 0 114 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.884 109.6 52.0 -61.8 -36.1 55.7 -1.7 28.2 216 212 A M H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 107.4 50.1 -67.4 -42.8 54.4 1.9 27.6 217 213 A Q H X S+ 0 0 89 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.922 110.4 52.2 -59.1 -44.7 55.3 3.0 31.2 218 214 A R H X S+ 0 0 182 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.906 110.9 46.0 -58.3 -45.3 58.8 1.5 30.6 219 215 A E H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.872 112.8 50.2 -67.3 -38.9 59.2 3.5 27.4 220 216 A I H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.943 113.6 45.5 -64.3 -47.0 57.9 6.7 28.9 221 217 A F H X S+ 0 0 72 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.920 111.8 52.4 -62.0 -43.8 60.3 6.3 31.9 222 218 A R H < S+ 0 0 112 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.933 111.8 45.2 -57.7 -48.6 63.2 5.4 29.5 223 219 A L H >X S+ 0 0 31 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.887 113.1 51.2 -63.6 -39.9 62.6 8.6 27.4 224 220 A M H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-1.3 0.893 101.9 60.0 -64.8 -38.6 62.2 10.7 30.5 225 221 A S H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.616 97.0 63.1 -66.1 -12.6 65.5 9.4 32.0 226 222 A L H <4 S+ 0 0 115 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.788 112.0 33.8 -80.4 -28.5 67.3 10.8 28.9 227 223 A F H << S+ 0 0 64 -3,-1.3 -54,-0.5 -4,-0.6 2,-0.3 0.642 133.0 13.6-100.9 -20.3 66.3 14.4 29.8 228 224 A M S < S- 0 0 4 -4,-1.8 -1,-0.3 -55,-0.1 2,-0.3 -0.974 78.0-116.6-151.3 147.9 66.4 14.2 33.6 229 225 A D - 0 0 117 -2,-0.3 -121,-0.1 -3,-0.1 -3,-0.1 -0.638 35.8-105.9 -86.1 149.4 67.8 11.7 36.0 230 226 A I - 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 -125,-0.0 -0.458 59.6 -83.1 -66.9 142.2 65.5 9.8 38.4 231 227 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -64,-0.1 -0.187 39.2-115.1 -47.4 149.0 66.1 11.4 41.8 232 228 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.607 94.1 37.3 -62.9 -20.3 69.1 10.0 43.7 233 229 A V S S- 0 0 16 4,-0.0 6,-0.1 6,-0.0 5,-0.0 -0.984 80.3-118.9-137.5 149.1 67.0 8.5 46.6 234 230 A Q > - 0 0 135 -2,-0.3 3,-1.8 4,-0.1 -75,-0.1 -0.432 41.1 -98.6 -79.2 159.9 63.7 6.7 46.9 235 231 A P T 3 S+ 0 0 24 0, 0.0 23,-2.1 0, 0.0 24,-0.3 0.782 124.3 33.1 -49.2 -37.2 60.9 8.3 49.1 236 232 A N T 3 S+ 0 0 127 21,-0.1 2,-0.3 20,-0.1 -77,-0.0 0.306 100.0 103.5-104.3 7.6 61.6 6.0 52.1 237 233 A E S < S- 0 0 84 -3,-1.8 2,-0.1 1,-0.1 21,-0.1 -0.707 75.3-112.5 -92.4 141.0 65.3 5.9 51.5 238 234 A Q - 0 0 118 -2,-0.3 2,-0.3 18,-0.2 18,-0.3 -0.427 30.6-171.7 -74.5 143.7 67.7 7.9 53.6 239 235 A F E -R 255 0G 9 16,-3.4 16,-1.7 -2,-0.1 2,-0.4 -0.852 17.8-133.1-126.9 161.8 69.8 10.8 52.2 240 236 A T E -R 254 0G 83 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.987 20.1-168.7-119.6 128.3 72.6 12.8 53.8 241 237 A W E -R 253 0G 5 12,-2.5 12,-2.7 -2,-0.4 2,-0.4 -0.975 3.5-165.4-124.8 121.7 72.5 16.6 53.5 242 238 A E E +R 252 0G 141 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.872 22.6 153.7-104.4 135.0 75.4 18.9 54.5 243 239 A Y E -R 251 0G 25 8,-2.2 8,-2.5 -2,-0.4 2,-0.4 -0.959 35.9-124.8-154.4 170.8 74.8 22.6 54.9 244 240 A V E -R 250 0G 75 -2,-0.3 -147,-0.3 6,-0.2 6,-0.2 -0.962 21.2-146.5-124.5 136.0 76.0 25.9 56.6 245 241 A D > - 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