==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAR-05 1Z1I . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR P.H.LIANG,A.H.WANG . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.9 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 1 0 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 5 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 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 1 A S 0 0 151 0, 0.0 213,-0.0 0, 0.0 212,-0.0 0.000 360.0 360.0 360.0-130.7 58.8 -15.4 21.8 2 2 A G - 0 0 43 1,-0.1 2,-0.3 212,-0.1 280,-0.0 0.669 360.0-153.6 34.1 158.1 58.4 -11.6 22.5 3 3 A F + 0 0 26 211,-0.0 2,-0.3 279,-0.0 -1,-0.1 -0.922 25.6 129.4-161.2 131.5 55.2 -9.5 22.5 4 4 A R - 0 0 157 -2,-0.3 2,-0.3 279,-0.0 295,-0.0 -0.962 60.9 -39.5-166.4-178.4 54.4 -5.9 21.9 5 5 A K + 0 0 116 -2,-0.3 2,-0.4 1,-0.1 286,-0.1 -0.408 63.1 177.4 -56.9 113.4 52.4 -3.1 20.2 6 6 A M - 0 0 76 -2,-0.3 2,-0.2 120,-0.0 120,-0.1 -0.935 10.9-176.2-134.2 113.6 52.1 -4.5 16.6 7 7 A A - 0 0 28 -2,-0.4 120,-0.1 118,-0.2 3,-0.1 -0.505 33.6 -95.3 -98.8 168.2 50.3 -2.9 13.8 8 8 A F - 0 0 34 142,-0.2 -1,-0.1 118,-0.2 2,-0.1 -0.321 50.1 -89.0 -77.5 163.8 49.7 -4.1 10.2 9 9 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.405 31.8-145.0 -69.7 156.0 52.0 -3.0 7.3 10 10 A S >> + 0 0 17 1,-0.1 4,-3.1 2,-0.1 3,-0.5 0.376 62.7 114.4-107.5 3.9 50.8 0.2 5.7 11 11 A G H 3> S+ 0 0 49 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.865 78.9 42.0 -37.0 -67.8 51.8 -0.5 2.1 12 12 A K H 34 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.815 119.8 44.4 -54.2 -38.3 48.3 -0.7 0.5 13 13 A V H X4 S+ 0 0 1 -3,-0.5 3,-3.1 1,-0.2 4,-0.4 0.852 101.8 64.0 -77.8 -39.3 47.0 2.3 2.5 14 14 A E H >< S+ 0 0 93 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.849 99.9 57.9 -52.4 -33.9 50.0 4.6 2.0 15 15 A G T 3< S+ 0 0 22 -4,-1.2 -1,-0.3 -5,-0.3 82,-0.2 0.445 104.4 51.1 -77.1 -1.0 49.0 4.4 -1.7 16 16 A C T < S+ 0 0 0 -3,-3.1 15,-4.7 81,-0.1 2,-0.5 0.324 83.5 109.1-116.2 5.3 45.6 5.8 -0.9 17 17 A M E < +A 30 0A 10 -3,-1.0 2,-0.2 -4,-0.4 13,-0.2 -0.735 40.0 165.1 -92.8 128.8 46.6 8.9 1.1 18 18 A V E -A 29 0A 1 11,-2.7 11,-2.4 -2,-0.5 102,-0.4 -0.744 34.6-109.5-129.5 175.2 46.2 12.3 -0.4 19 19 A Q - 0 0 13 50,-0.4 2,-0.4 -2,-0.2 50,-0.3 -0.836 28.8-171.6-106.7 147.9 46.1 16.0 0.6 20 20 A V - 0 0 0 7,-0.4 7,-1.2 -2,-0.3 2,-0.3 -0.996 4.2-170.0-140.0 137.8 43.0 18.0 0.6 21 21 A T E +E 26 0B 22 -2,-0.4 46,-1.1 5,-0.2 5,-0.3 -0.934 18.4 174.0-133.3 156.3 42.6 21.8 1.1 22 22 A C E > -E 25 0B 6 3,-2.5 3,-2.6 -2,-0.3 2,-0.8 -0.729 68.6 -59.2-158.8 99.8 40.0 24.4 1.7 23 23 A G T 3 S- 0 0 78 42,-0.3 20,-0.1 1,-0.3 22,-0.1 -0.435 123.2 -13.5 64.6-103.0 41.0 28.0 2.5 24 24 A T T 3 S+ 0 0 128 -2,-0.8 2,-0.5 -3,-0.1 -1,-0.3 0.266 123.3 85.8-114.3 5.8 43.1 27.7 5.6 25 25 A T E < +E 22 0B 37 -3,-2.6 -3,-2.5 17,-0.2 2,-0.4 -0.947 49.5 167.2-110.9 125.4 42.0 24.1 6.4 26 26 A T E +E 21 0B 44 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.947 7.9 169.0-141.9 117.7 43.9 21.3 4.8 27 27 A L - 0 0 8 -7,-1.2 -7,-0.4 -2,-0.4 119,-0.2 -0.958 37.2 -83.7-135.7 153.3 43.6 17.6 6.0 28 28 A N - 0 0 0 117,-1.1 2,-0.3 115,-1.0 -9,-0.2 0.002 42.1-158.6 -47.2 144.7 44.5 14.1 4.9 29 29 A G E -A 18 0A 0 -11,-2.4 -11,-2.7 9,-0.1 2,-0.7 -0.963 17.1-133.0-133.1 149.6 42.3 12.2 2.5 30 30 A L E -AB 17 37A 0 7,-1.6 7,-2.3 -2,-0.3 2,-0.9 -0.878 22.9-160.0-101.1 111.7 41.7 8.5 1.6 31 31 A W E + B 0 36A 22 -15,-4.7 2,-0.3 -2,-0.7 5,-0.2 -0.759 18.3 166.5-101.0 98.7 41.7 8.0 -2.1 32 32 A L E > - B 0 35A 1 -2,-0.9 3,-1.8 3,-0.9 -2,-0.0 -0.907 63.2 -36.0-110.4 158.8 40.0 4.8 -3.3 33 33 A D T 3 S- 0 0 70 -2,-0.3 62,-3.6 62,-0.3 65,-0.1 -0.400 123.2 -32.7 12.4-113.5 39.0 4.3 -7.0 34 34 A D T 3 S+ 0 0 59 60,-0.3 57,-2.5 58,-0.0 -1,-0.3 0.430 121.3 92.4-100.0 -7.0 38.1 7.7 -8.3 35 35 A T E < -BC 32 90A 11 -3,-1.8 -3,-0.9 55,-0.2 2,-0.5 -0.528 57.8-155.5 -89.6 153.2 36.6 9.0 -5.0 36 36 A V E -BC 31 89A 0 53,-2.5 53,-1.3 -5,-0.2 -5,-0.2 -0.929 10.6-163.4-133.7 109.3 38.3 10.9 -2.3 37 37 A Y E +B 30 0A 11 -7,-2.3 -7,-1.6 -2,-0.5 51,-0.1 -0.504 21.7 147.2 -85.9 156.3 36.9 10.6 1.2 38 38 A C - 0 0 0 -9,-0.2 49,-3.3 -2,-0.2 -9,-0.1 -0.891 55.4 -68.2 180.0 155.8 37.8 13.1 3.9 39 39 A P B > -F 86 0C 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.331 39.8-135.0 -58.1 136.2 36.2 14.6 7.0 40 40 A R G > S+ 0 0 35 45,-2.5 3,-1.5 1,-0.3 46,-0.1 0.750 97.0 75.1 -65.7 -24.7 33.4 17.0 6.0 41 41 A H G > + 0 0 17 44,-0.4 3,-2.4 1,-0.3 -1,-0.3 0.515 66.4 97.1 -68.4 0.2 34.5 19.7 8.4 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -17,-0.2 0.765 79.4 56.6 -58.3 -24.9 37.4 20.4 6.0 43 43 A I G < S+ 0 0 5 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.511 91.0 100.0 -85.5 -5.5 35.2 23.2 4.7 44 44 A C < - 0 0 2 -3,-2.4 -22,-0.1 1,-0.1 2,-0.1 -0.556 46.5-177.1 -90.2 150.4 34.9 24.8 8.2 45 45 A T S > S- 0 0 70 -2,-0.1 3,-1.6 -22,-0.1 4,-0.3 0.220 77.8 -40.2-111.5-142.3 36.9 27.8 9.5 46 46 A A G > S+ 0 0 71 1,-0.2 3,-1.2 2,-0.2 -2,-0.1 0.547 123.6 96.7 -58.3 -5.7 36.5 29.0 13.0 47 47 A E G > S+ 0 0 60 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.715 73.3 60.5 -56.7 -22.4 33.0 28.1 11.9 48 48 A D G < S+ 0 0 9 -3,-1.6 141,-1.2 1,-0.2 -1,-0.3 0.856 89.2 71.4 -72.6 -36.6 33.6 24.8 13.7 49 49 A M G < S+ 0 0 124 -3,-1.2 -1,-0.2 -4,-0.3 2,-0.2 0.206 112.5 23.9 -65.2 3.3 34.1 26.8 16.9 50 50 A L S < S- 0 0 124 -3,-0.7 139,-0.1 140,-0.0 140,-0.1 -0.405 122.3 -53.5-119.2-122.5 30.5 27.5 16.9 51 51 A N - 0 0 117 -2,-0.2 -3,-0.1 137,-0.1 -2,-0.1 -0.841 60.7-163.2-127.0 77.8 27.4 25.6 15.3 52 52 A P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.380 14.3-137.4 -64.4 139.1 28.6 25.4 11.6 53 53 A N > - 0 0 77 1,-0.2 4,-4.3 -2,-0.1 5,-0.3 -0.866 18.9-173.4-102.7 100.7 25.8 24.6 9.2 54 54 A Y H > S+ 0 0 9 -2,-0.9 4,-3.5 2,-0.2 5,-0.3 0.918 81.8 56.7 -58.6 -49.5 27.4 22.0 6.8 55 55 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.965 119.7 31.8 -45.5 -63.8 24.5 21.9 4.5 56 56 A D H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.924 116.5 55.3 -62.0 -49.6 24.8 25.7 4.0 57 57 A L H < S+ 0 0 25 -4,-4.3 -1,-0.2 2,-0.2 -2,-0.2 0.886 117.3 41.5 -51.5 -36.9 28.6 25.9 4.4 58 58 A L H >< S+ 0 0 17 -4,-3.5 3,-1.9 -5,-0.3 -2,-0.2 0.996 106.4 53.5 -73.4 -73.2 28.7 23.3 1.6 59 59 A I H 3< S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.693 104.3 64.8 -38.5 -21.3 26.1 24.4 -0.9 60 60 A R T 3< S+ 0 0 220 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.3 -0.010 98.2 70.5 -94.2 28.8 28.1 27.6 -0.7 61 61 A K < - 0 0 63 -3,-1.9 2,-0.3 -5,-0.0 3,-0.0 -0.971 61.8-157.4-143.1 156.6 31.2 25.9 -2.2 62 62 A S > - 0 0 57 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.893 35.0 -98.5-134.4 163.4 32.3 24.5 -5.5 63 63 A N G > S+ 0 0 40 -2,-0.3 3,-2.9 1,-0.3 14,-0.1 0.880 112.0 67.1 -43.4 -57.8 34.9 22.0 -6.9 64 64 A H G 3 S+ 0 0 164 1,-0.3 -1,-0.3 14,-0.1 14,-0.0 0.635 92.0 65.6 -43.6 -18.1 37.5 24.6 -7.8 65 65 A S G < S+ 0 0 39 -3,-2.1 2,-0.7 1,-0.1 -42,-0.3 0.374 81.3 93.3 -90.4 6.0 38.0 25.3 -4.1 66 66 A F < - 0 0 11 -3,-2.9 2,-1.1 11,-0.1 11,-0.4 -0.875 57.4-163.2-107.1 111.2 39.4 21.8 -3.4 67 67 A L - 0 0 60 -46,-1.1 2,-1.1 -2,-0.7 -46,-0.1 -0.728 11.8-177.7 -92.9 90.0 43.2 21.4 -3.5 68 68 A V - 0 0 0 -2,-1.1 7,-1.6 7,-0.3 2,-1.4 -0.707 2.6-177.2 -93.2 90.1 43.6 17.6 -3.7 69 69 A Q E -H 74 0D 69 -2,-1.1 2,-2.2 -50,-0.3 -50,-0.4 -0.606 11.0-161.1 -90.7 80.6 47.4 17.0 -3.7 70 70 A A E > -H 73 0D 13 -2,-1.4 3,-1.4 3,-0.5 2,-1.3 -0.357 63.3 -66.8 -61.7 81.5 47.7 13.2 -4.1 71 71 A G T 3 S- 0 0 45 -2,-2.2 50,-0.1 1,-0.3 -1,-0.1 -0.579 116.7 -13.3 75.1 -96.6 51.2 13.0 -2.8 72 72 A N T 3 S+ 0 0 162 -2,-1.3 2,-0.4 1,-0.1 -1,-0.3 0.608 126.8 66.9-113.4 -22.9 53.3 14.9 -5.4 73 73 A V E < S-H 70 0D 98 -3,-1.4 -3,-0.5 -4,-0.0 2,-0.5 -0.821 73.7-136.0-105.1 144.4 50.8 15.2 -8.3 74 74 A Q E -H 69 0D 119 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.863 18.3-156.9-104.0 123.8 47.6 17.2 -8.2 75 75 A L - 0 0 19 -7,-1.6 2,-0.7 -2,-0.5 -7,-0.3 -0.328 22.7-104.9 -90.4 175.6 44.4 15.8 -9.5 76 76 A R - 0 0 172 -2,-0.1 16,-2.0 -9,-0.1 2,-0.9 -0.892 22.8-141.2-107.8 109.5 41.2 17.6 -10.8 77 77 A V E -D 91 0A 17 -2,-0.7 14,-0.2 -11,-0.4 -11,-0.1 -0.560 20.7-179.7 -70.0 104.7 38.3 17.5 -8.4 78 78 A I E - 0 0 94 -2,-0.9 2,-0.3 12,-0.9 13,-0.2 0.660 63.3 -19.3 -80.9 -14.5 35.4 17.0 -10.9 79 79 A G E -D 90 0A 10 11,-1.5 11,-1.0 -16,-0.1 2,-0.2 -0.992 52.0-143.9-174.3 178.5 32.9 17.1 -8.0 80 80 A H + 0 0 63 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.637 16.6 166.8-139.4-164.9 32.0 16.8 -4.4 81 81 A S - 0 0 52 -2,-0.2 2,-0.3 8,-0.0 -2,-0.0 -0.958 29.5-110.3 171.0-165.0 29.1 15.6 -2.2 82 82 A M - 0 0 64 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.797 19.0-179.3-163.1 116.9 28.3 14.7 1.4 83 83 A Q B > -G 86 0C 50 3,-2.1 3,-1.8 -2,-0.3 -43,-0.1 -0.859 68.6 -64.6-118.6 92.0 27.6 11.4 3.0 84 84 A N T 3 S- 0 0 78 -2,-0.6 95,-0.2 1,-0.3 96,-0.2 -0.436 118.0 -13.3 63.9-139.5 26.8 12.0 6.7 85 85 A C T 3 S+ 0 0 20 94,-1.9 -45,-2.5 93,-0.1 -44,-0.4 0.352 123.0 90.2 -75.4 3.8 29.9 13.5 8.4 86 86 A L B < S-FG 39 83C 0 -3,-1.8 -3,-2.1 -47,-0.2 2,-0.8 -0.783 70.8-138.1-104.8 148.9 32.1 12.6 5.4 87 87 A L - 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0 0 49 -3,-0.4 2,-0.3 2,-0.0 44,-0.1 -0.365 58.0-179.3 -60.8 135.2 48.3 -18.0 37.7 221 221 A N - 0 0 24 2,-0.3 46,-0.1 42,-0.2 45,-0.1 -0.925 38.2-117.8-137.2 163.2 46.9 -19.4 41.0 222 222 A R S S+ 0 0 201 -2,-0.3 -1,-0.1 44,-0.1 45,-0.1 0.900 86.7 90.8 -65.3 -46.3 45.1 -22.6 42.1 223 223 A F - 0 0 134 43,-0.1 -2,-0.3 1,-0.1 2,-0.2 -0.207 60.0-171.0 -53.4 141.8 41.9 -20.9 43.2 224 224 A T - 0 0 79 42,-0.1 2,-0.3 41,-0.1 39,-0.1 -0.390 2.0-166.1-118.4-160.9 39.4 -20.8 40.5 225 225 A T - 0 0 20 -2,-0.2 2,-0.2 37,-0.0 41,-0.2 -0.956 18.5 -94.4 178.7 163.4 36.0 -19.0 40.2 226 226 A T > - 0 0 72 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.541 24.0-122.9 -97.4 162.0 32.7 -18.6 38.3 227 227 A L H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 15,-0.3 0.869 115.5 43.6 -67.0 -40.5 31.4 -16.4 35.5 228 228 A N H 4 S+ 0 0 126 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.752 118.9 48.6 -75.6 -24.4 28.5 -15.0 37.5 229 229 A D H > S+ 0 0 51 2,-0.1 4,-0.7 1,-0.1 3,-0.4 0.829 108.4 50.1 -82.7 -38.7 30.8 -14.7 40.4 230 230 A F H >X S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 4,-1.3 0.952 99.6 64.8 -65.6 -50.4 33.7 -12.9 38.6 231 231 A N H 3X S+ 0 0 31 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.759 94.2 63.7 -43.4 -30.5 31.5 -10.3 37.1 232 232 A L H >> S+ 0 0 121 -3,-0.4 4,-0.9 -4,-0.3 3,-0.6 0.905 103.3 44.3 -64.7 -42.9 30.8 -9.0 40.6 233 233 A V H S+ 0 0 0 -4,-1.3 5,-3.3 1,-0.2 -1,-0.2 0.785 96.0 54.5 -71.0 -29.5 34.4 -6.5 37.7 235 235 A M H X<5S+ 0 0 101 -4,-1.0 3,-0.8 -3,-0.6 -1,-0.2 0.864 104.4 53.8 -73.4 -35.7 31.9 -3.9 38.8 236 236 A K H 3<5S+ 0 0 143 -4,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.900 113.6 45.1 -63.5 -38.1 34.1 -2.8 41.6 237 237 A Y T 3<5S- 0 0 73 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.2 -0.213 112.8-104.8-103.2 59.2 36.9 -2.3 39.2 238 238 A N T < 5S+ 0 0 90 -3,-0.8 -39,-0.3 -2,-0.3 2,-0.2 0.770 72.1 151.7 -2.5 73.6 35.5 -0.4 36.0 239 239 A Y < - 0 0 19 -5,-3.3 -1,-0.2 -41,-0.2 -39,-0.1 -0.634 53.5-114.1-119.4 156.7 35.6 -3.6 34.3 240 240 A E - 0 0 77 -41,-1.8 2,-0.1 -2,-0.2 -1,-0.1 -0.555 43.5-109.2 -75.1 143.9 33.4 -4.7 31.4 241 241 A P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.469 31.0-113.8 -76.3 153.7 31.2 -7.7 32.6 242 242 A L - 0 0 5 -15,-0.3 -11,-0.2 -2,-0.1 2,-0.1 -0.785 27.2-164.2 -96.9 119.0 32.0 -11.1 31.2 243 243 A T > - 0 0 52 -2,-0.6 4,-1.1 1,-0.1 3,-0.1 -0.344 35.0-114.7 -87.0 173.6 29.5 -12.9 28.9 244 244 A Q H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.699 115.3 68.9 -79.4 -19.3 29.6 -16.6 28.1 245 245 A D H > S+ 0 0 111 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.873 97.6 46.1 -65.5 -41.2 30.4 -15.4 24.6 246 246 A H H >> S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.904 107.7 59.4 -69.4 -38.4 33.8 -14.0 25.5 247 247 A V H 3X S+ 0 0 16 -4,-1.1 4,-0.6 1,-0.3 -2,-0.2 0.866 102.2 53.6 -56.5 -36.6 34.4 -17.3 27.3 248 248 A D H 3< S+ 0 0 104 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.821 107.0 51.5 -69.0 -30.6 33.9 -19.1 24.1 249 249 A I H << S+ 0 0 60 -4,-1.0 4,-0.4 -3,-0.7 -2,-0.2 0.843 106.1 51.5 -75.0 -37.7 36.5 -16.9 22.2 250 250 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 0.674 85.2 97.7 -71.9 -15.0 39.3 -17.5 24.8 251 251 A G H X S+ 0 0 27 -4,-0.6 4,-2.5 -5,-0.3 -1,-0.2 0.843 80.2 49.5 -37.6 -52.9 38.5 -21.2 24.3 252 252 A P H > S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.915 111.9 42.3 -58.0 -54.9 41.4 -21.6 21.8 253 253 A L H > S+ 0 0 4 -4,-0.4 4,-2.7 -3,-0.2 5,-0.3 0.917 114.7 57.8 -61.9 -36.6 44.3 -19.9 23.6 254 254 A S H X>S+ 0 0 18 -4,-2.6 4,-2.2 1,-0.2 5,-1.6 0.943 106.1 44.4 -54.2 -57.3 42.9 -21.8 26.6 255 255 A A H <5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.768 118.8 45.1 -61.7 -28.0 43.1 -25.3 25.1 256 256 A Q H <5S+ 0 0 113 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.788 116.3 42.5 -88.5 -30.4 46.6 -24.5 23.8 257 257 A T H <5S- 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.714 107.0-121.5 -87.5 -23.4 48.1 -22.9 26.9 258 258 A G T <5S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.910 72.7 115.8 83.1 44.1 46.6 -25.4 29.3 259 259 A I < - 0 0 26 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.870 62.6-129.3-147.8 110.2 44.6 -23.0 31.4 260 260 A A > - 0 0 49 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.262 24.0-123.7 -56.9 144.0 40.8 -23.1 31.7 261 261 A V H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.912 110.4 53.1 -57.8 -51.0 39.3 -19.6 31.1 262 262 A L H > S+ 0 0 60 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.785 109.2 54.8 -56.8 -25.3 37.3 -19.4 34.4 263 263 A D H >> S+ 0 0 59 -3,-0.5 4,-1.5 2,-0.2 3,-1.3 0.944 104.1 50.7 -70.3 -50.4 40.7 -20.2 35.9 264 264 A M H 3X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.3 -2,-0.2 0.784 107.5 56.8 -57.2 -27.4 42.3 -17.3 34.1 265 265 A C H 3X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.751 100.7 56.2 -75.9 -26.4 39.5 -15.2 35.6 266 266 A A H - 0 0 42 -2,-0.3 3,-0.5 9,-0.1 -1,-0.1 0.556 25.7-168.8-130.3 -63.3 51.3 -7.0 42.1 277 277 A N T 3 S- 0 0 160 1,-0.3 2,-0.8 8,-0.1 3,-0.1 0.998 82.8 -17.2 60.5 72.3 53.9 -5.0 43.9 278 278 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 7,-0.1 -2,-0.0 -0.725 107.3 102.6 107.5 -83.1 56.9 -5.7 41.7 279 279 A R < - 0 0 169 -2,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 -0.126 56.3-172.9 -40.4 107.5 56.0 -8.8 39.7 280 280 A T - 0 0 55 -3,-0.1 2,-0.3 -4,-0.1 5,-0.2 -0.022 17.5-125.1 -89.4-162.1 55.1 -7.2 36.3 281 281 A I S S- 0 0 0 3,-2.8 3,-0.5 5,-0.1 5,-0.3 -0.891 74.3 -23.6-154.7 120.1 53.6 -8.9 33.2 282 282 A L S S- 0 0 30 -2,-0.3 2,-1.5 1,-0.3 3,-0.1 0.859 122.8 -53.4 43.3 51.0 55.0 -9.0 29.7 283 283 A G S S+ 0 0 66 1,-0.3 -1,-0.3 -279,-0.0 -279,-0.0 -0.415 121.9 101.1 87.4 -59.9 57.0 -5.8 30.3 284 284 A S - 0 0 33 -2,-1.5 -3,-2.8 -3,-0.5 -1,-0.3 -0.004 58.4-157.6 -54.6 162.0 53.9 -3.9 31.4 285 285 A T S S+ 0 0 89 -5,-0.2 2,-0.3 -3,-0.1 -8,-0.1 -0.121 78.7 54.4-132.0 27.5 53.2 -3.3 35.1 286 286 A I S S- 0 0 114 -5,-0.3 2,-0.3 -10,-0.0 -5,-0.1 -0.953 101.2 -81.3-154.6 160.9 49.5 -2.8 34.4 287 287 A L - 0 0 41 -2,-0.3 2,-1.1 1,-0.1 -83,-0.1 -0.540 39.2-138.6 -74.0 129.9 46.8 -4.8 32.7 288 288 A E > + 0 0 29 -2,-0.3 3,-0.5 -84,-0.2 2,-0.5 -0.726 27.0 172.9 -93.3 92.8 46.9 -4.4 29.0 289 289 A D T 3 + 0 0 25 -2,-1.1 -89,-0.3 1,-0.2 -85,-0.2 -0.199 62.0 84.3 -90.4 44.3 43.3 -4.1 27.8 290 290 A E T 3 + 0 0 52 -2,-0.5 2,-0.4 -87,-0.2 -1,-0.2 0.087 68.3 79.2-134.2 26.0 44.5 -3.3 24.3 291 291 A F < - 0 0 10 -3,-0.5 -84,-0.3 -91,-0.2 -85,-0.3 -0.986 64.9-149.6-134.2 120.9 45.0 -6.7 22.7 292 292 A T > - 0 0 14 -2,-0.4 4,-2.1 -86,-0.1 5,-0.2 -0.404 31.6-102.0 -88.3 167.5 42.1 -8.7 21.4 293 293 A P H >> S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 3,-1.2 0.969 125.2 45.5 -47.5 -61.3 42.0 -12.5 21.3 294 294 A F H 3> S+ 0 0 141 1,-0.3 4,-1.8 2,-0.2 -3,-0.0 0.813 108.7 57.6 -51.8 -35.7 42.7 -12.5 17.5 295 295 A D H 3> S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.872 107.4 47.9 -63.3 -37.5 45.5 -10.0 18.1 296 296 A V H < S+ 0 0 81 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.943 109.3 40.8 -58.2 -51.5 48.6 -13.4 15.4 299 299 A Q H 3< S+ 0 0 47 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.611 120.0 47.4 -74.0 -11.1 51.8 -13.0 17.4 300 300 A C T 3< 0 0 33 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 -0.182 360.0 360.0-123.8 40.3 51.5 -16.6 18.6 301 301 A S < 0 0 141 -3,-0.9 -3,-0.2 0, 0.0 -2,-0.1 0.035 360.0 360.0-172.0 360.0 50.8 -18.5 15.4