==== 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 02-APR-07 2UY3 . COMPND 2 MOLECULE: ENDOCHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.HURTADO-GUERRERO,D.M.F.VAN AALTEN . 285 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 2 0 0 0 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 3 2 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 26 A N 0 0 108 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.5 50.7 34.5 41.0 2 27 A T + 0 0 45 2,-0.0 254,-0.3 278,-0.0 2,-0.1 -0.785 360.0 179.5-134.2 113.2 50.0 34.5 37.4 3 28 A N E -a 256 0A 50 252,-2.4 254,-1.8 -2,-0.3 2,-0.5 -0.447 28.6-129.9-104.5 159.3 50.4 31.3 35.4 4 29 A I E -a 257 0A 0 252,-0.2 25,-2.9 -2,-0.1 26,-2.2 -0.974 24.7-165.1-102.3 124.3 50.0 30.0 31.9 5 30 A A E -ab 258 30A 0 252,-2.7 254,-2.3 -2,-0.5 2,-0.4 -0.906 6.4-171.2-103.4 140.4 47.9 26.8 31.7 6 31 A V E -ab 259 31A 0 24,-2.6 26,-3.0 -2,-0.4 2,-0.3 -0.988 20.6-133.8-131.5 136.5 48.0 24.7 28.5 7 32 A Y E - b 0 32A 7 252,-2.2 255,-3.5 -2,-0.4 254,-0.4 -0.703 30.3-175.8 -75.2 143.7 46.0 21.8 27.5 8 33 A W E + b 0 33A 2 24,-2.8 26,-2.8 -2,-0.3 11,-0.0 -0.998 46.2 52.8-142.5 139.7 48.2 19.0 26.0 9 34 A G S S+ 0 0 0 -2,-0.3 40,-0.4 24,-0.2 39,-0.1 -0.133 81.4 77.8 138.6 -40.3 47.3 15.6 24.4 10 35 A Q S S- 0 0 58 37,-0.1 37,-0.1 36,-0.1 36,-0.1 0.361 85.2-134.3 -89.2 2.4 44.8 16.1 21.6 11 36 A N > + 0 0 31 1,-0.1 3,-1.5 6,-0.1 5,-0.1 0.822 33.0 175.9 53.0 45.6 47.3 17.3 19.1 12 37 A S T 3 S+ 0 0 44 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.860 77.2 42.3 -48.9 -40.2 45.2 20.3 17.9 13 38 A A T 3 S- 0 0 31 1,-0.1 -1,-0.3 216,-0.0 -2,-0.1 0.589 103.0-125.5 -89.2 -8.9 47.9 21.6 15.6 14 39 A G S < S+ 0 0 45 -3,-1.5 -2,-0.1 1,-0.1 -1,-0.1 -0.143 99.0 77.7 94.7 -40.8 49.1 18.2 14.1 15 40 A T + 0 0 92 248,-0.1 -3,-0.1 2,-0.0 -1,-0.1 0.013 63.2 159.6 -96.7 27.1 52.7 18.9 15.2 16 41 A Q - 0 0 15 -5,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.246 22.8-158.7 -54.8 125.2 52.3 18.1 18.9 17 42 A E - 0 0 113 1,-0.2 -6,-0.1 2,-0.1 246,-0.1 -0.313 35.7 -62.0 -95.5-179.9 55.6 17.3 20.7 18 43 A S > - 0 0 48 1,-0.1 4,-1.3 -2,-0.1 3,-0.4 -0.200 45.5-114.1 -62.0 153.3 56.1 15.3 23.9 19 44 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.949 117.9 54.8 -47.6 -52.3 54.7 16.6 27.1 20 45 A A H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.801 97.5 63.8 -58.1 -33.2 58.3 17.2 28.4 21 46 A T H 4 S+ 0 0 45 -3,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.948 107.7 41.2 -54.2 -49.7 59.2 19.3 25.4 22 47 A Y H >< S+ 0 0 4 -4,-1.3 3,-1.4 -3,-0.5 6,-0.3 0.857 111.1 56.3 -66.2 -37.2 56.6 21.9 26.5 23 48 A a H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 99.0 63.2 -62.5 -28.7 57.5 21.6 30.2 24 49 A E T 3< S+ 0 0 120 -4,-1.7 -1,-0.2 -3,-0.2 2,-0.2 0.426 88.4 91.6 -83.2 1.9 61.1 22.5 29.2 25 50 A S S < S- 0 0 32 -3,-1.4 3,-0.4 -5,-0.1 -3,-0.0 -0.619 77.1-138.2 -79.3 152.0 59.9 25.9 28.0 26 51 A S S S+ 0 0 92 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.559 91.9 83.6 -72.7 -6.2 59.9 28.9 30.3 27 52 A D S S+ 0 0 11 -5,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.576 84.6 39.4 -87.1 -16.2 56.5 29.6 28.7 28 53 A A - 0 0 0 -3,-0.4 -23,-0.2 -6,-0.3 3,-0.1 -0.983 43.5-178.9-140.4 147.3 53.9 27.5 30.6 29 54 A D S S+ 0 0 28 -25,-2.9 48,-2.1 -2,-0.3 2,-0.4 0.692 71.9 46.6-115.2 -34.0 53.3 26.5 34.2 30 55 A I E -bc 5 77A 7 -26,-2.2 -24,-2.6 46,-0.2 2,-0.5 -0.962 64.2-161.9-120.5 132.8 50.2 24.2 34.4 31 56 A F E -bc 6 78A 0 46,-2.9 48,-2.6 -2,-0.4 2,-0.7 -0.971 2.9-158.7-122.9 127.2 49.7 21.3 32.0 32 57 A L E -bc 7 79A 0 -26,-3.0 -24,-2.8 -2,-0.5 2,-0.5 -0.897 15.8-138.8-111.6 108.6 46.3 19.7 31.5 33 58 A L E -bc 8 80A 0 46,-3.4 48,-2.6 -2,-0.7 2,-0.6 -0.563 25.3-124.3 -76.7 119.1 46.4 16.2 30.1 34 59 A S E + c 0 81A 0 -26,-2.8 48,-0.1 -2,-0.5 -1,-0.1 -0.897 65.7 13.1-115.7 108.0 43.7 15.8 27.5 35 60 A F E + 0 0 12 46,-0.6 10,-2.3 -2,-0.6 2,-1.5 0.579 16.9 162.4-151.2 155.0 41.9 13.5 28.1 36 61 A L E + c 0 82A 0 45,-2.5 47,-2.7 -3,-0.4 8,-0.2 -0.794 45.1 171.2 -73.1 86.3 40.4 10.8 30.3 37 62 A N + 0 0 38 -2,-1.5 51,-2.3 6,-0.4 2,-0.4 0.409 50.6 52.7 -85.0 2.6 37.6 10.8 27.8 38 63 A Q E >S-Jk 43 88B 77 5,-1.6 5,-1.6 49,-0.2 51,-0.2 -0.989 74.4-167.8-143.6 124.6 35.7 7.8 29.0 39 64 A F E 5 + k 0 89B 5 49,-1.1 51,-1.0 -2,-0.4 3,-0.1 -0.915 57.0 22.6-165.4 159.2 34.4 7.1 32.5 40 65 A P T 5S+ 0 0 47 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.917 127.9 51.3 -61.2 -33.1 33.3 5.5 34.9 41 66 A T T 5S- 0 0 116 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.599 111.8-110.8 -70.7 110.1 34.7 2.6 32.7 42 67 A L T 5 + 0 0 36 -2,-0.9 2,-0.3 -3,-0.1 -3,-0.2 -0.024 49.8 159.0 -57.9 133.9 38.2 4.0 32.3 43 68 A G B < -J 38 0B 11 -5,-1.6 -5,-1.6 15,-0.1 -6,-0.4 -0.921 15.9-166.6-154.6 124.8 39.4 5.2 28.8 44 69 A L - 0 0 15 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.805 2.7-170.2-107.9 154.2 42.3 7.6 27.9 45 70 A N + 0 0 60 -10,-2.3 3,-0.1 -2,-0.3 6,-0.1 -0.951 18.0 161.0-145.8 117.1 43.0 9.4 24.6 46 71 A F > - 0 0 1 1,-0.5 3,-3.0 4,-0.4 4,-0.2 -0.222 44.6-132.4-122.2 44.3 46.3 11.3 23.9 47 72 A A G > S- 0 0 43 1,-0.3 3,-0.7 2,-0.2 -1,-0.5 -0.171 80.8 -12.6 37.2-123.3 46.1 11.3 20.1 48 73 A N G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -39,-0.1 3,-0.1 0.429 121.1 84.0 -84.4 3.6 49.5 10.2 18.8 49 74 A A G < S+ 0 0 30 -3,-3.0 2,-0.3 -40,-0.4 15,-0.2 0.446 99.6 20.6 -90.2 -3.4 51.3 10.5 22.2 50 75 A b < + 0 0 16 -3,-0.7 -4,-0.4 -4,-0.2 -1,-0.2 -0.835 54.4 151.5-166.9 122.3 50.4 7.1 23.6 51 76 A S + 0 0 102 -2,-0.3 10,-0.1 9,-0.2 -1,-0.1 0.548 45.3 99.9-130.6 -24.5 49.2 4.0 21.8 52 77 A D - 0 0 112 8,-0.3 8,-2.6 7,-0.1 2,-0.3 -0.278 52.7-167.7 -58.0 152.3 50.3 1.0 23.9 53 78 A T B -L 59 0C 74 6,-0.3 6,-0.2 8,-0.0 2,-0.1 -0.966 26.0-107.9-138.6 155.4 47.7 -0.6 26.2 54 79 A F > - 0 0 42 4,-2.6 3,-2.1 -2,-0.3 6,-0.1 -0.269 56.1 -92.0 -60.9 167.6 47.3 -3.1 29.0 55 80 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.856 129.3 57.2 -60.5 -32.2 45.7 -6.4 27.9 56 81 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.463 121.1-107.1 -78.8 -0.2 42.2 -5.0 28.7 57 82 A G S < S+ 0 0 44 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.359 71.9 140.2 93.0 -6.2 42.8 -2.0 26.3 58 83 A L - 0 0 16 1,-0.1 -4,-2.6 -15,-0.1 -1,-0.3 -0.544 64.8 -97.4 -64.5 135.3 43.3 0.7 28.9 59 84 A L B -L 53 0C 25 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.3 -0.234 34.2-161.8 -56.2 138.9 46.1 3.1 27.6 60 85 A H - 0 0 45 -8,-2.6 2,-0.5 -6,-0.1 -8,-0.3 -0.977 10.4-176.5-126.3 115.6 49.5 2.4 29.1 61 86 A b > + 0 0 4 57,-2.9 4,-2.2 -2,-0.5 5,-0.1 -0.734 17.7 165.1-128.5 81.5 51.8 5.4 28.6 62 87 A T H > S+ 0 0 63 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.885 80.5 52.5 -64.5 -42.4 55.4 5.1 29.7 63 88 A Q H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 112.0 45.2 -60.8 -44.8 56.7 8.2 27.8 64 89 A I H > S+ 0 0 3 -15,-0.2 4,-3.0 2,-0.2 5,-0.2 0.908 111.1 55.2 -63.6 -39.4 54.0 10.5 29.3 65 90 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.930 110.3 43.9 -59.9 -47.0 54.7 8.9 32.7 66 91 A E H X S+ 0 0 109 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.948 114.0 52.4 -60.7 -45.0 58.4 9.8 32.5 67 92 A D H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.813 103.0 56.9 -61.9 -40.2 57.4 13.3 31.2 68 93 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.922 110.6 45.3 -51.9 -44.1 55.0 13.9 34.1 69 94 A E H X S+ 0 0 93 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.899 113.1 48.7 -74.4 -36.8 58.0 13.3 36.5 70 95 A T H X S+ 0 0 49 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.926 111.8 51.1 -62.8 -42.6 60.4 15.5 34.4 71 96 A a H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -2,-0.2 0.916 110.1 48.7 -65.9 -43.9 57.7 18.2 34.3 72 97 A Q H ><5S+ 0 0 48 -4,-2.3 3,-1.8 3,-0.2 -1,-0.2 0.857 105.3 56.3 -64.9 -39.2 57.3 18.1 38.0 73 98 A S H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.910 105.5 55.0 -57.0 -38.0 61.1 18.3 38.7 74 99 A L T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.344 126.3-103.5 -77.7 8.3 61.0 21.5 36.7 75 100 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.568 75.4 138.6 87.4 9.4 58.3 22.9 39.0 76 101 A K < - 0 0 24 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.571 48.6-131.6 -88.6 152.8 55.3 22.4 36.7 77 102 A K E -c 30 0A 69 -48,-2.1 -46,-2.9 -2,-0.2 2,-0.5 -0.882 17.7-162.7-100.7 133.7 51.9 21.1 37.7 78 103 A V E -c 31 0A 0 -2,-0.4 47,-3.6 -48,-0.2 48,-0.6 -0.943 8.7-177.6-123.7 112.2 50.3 18.4 35.7 79 104 A L E -cd 32 126A 0 -48,-2.6 -46,-3.4 -2,-0.5 2,-0.6 -0.819 27.2-125.9-104.8 146.9 46.6 17.7 36.0 80 105 A L E -cd 33 127A 0 46,-3.0 48,-2.2 -2,-0.4 2,-0.6 -0.798 27.4-142.4 -89.1 121.7 44.6 14.9 34.3 81 106 A S E -cd 34 128A 0 -48,-2.6 -45,-2.5 -2,-0.6 -46,-0.6 -0.751 11.2-148.6 -89.3 126.5 41.7 16.5 32.4 82 107 A L E -cd 36 129A 0 46,-3.6 48,-2.1 -2,-0.6 2,-0.6 -0.697 57.2 -1.4 -89.2 133.7 38.4 14.6 32.4 83 108 A G E - d 0 130A 0 -47,-2.7 48,-0.2 -2,-0.4 5,-0.1 -0.817 62.4-167.0 111.9-115.8 35.9 14.7 29.6 84 109 A G - 0 0 0 46,-2.8 48,-0.5 -2,-0.6 2,-0.2 -0.127 47.5 -58.0 107.2 152.3 36.3 16.7 26.4 85 110 A A S S+ 0 0 57 46,-0.1 48,-0.1 -2,-0.1 45,-0.0 -0.519 122.7 7.4 -49.3 133.6 34.2 17.7 23.6 86 111 A S S S+ 0 0 108 46,-0.2 2,-0.2 -2,-0.2 46,-0.1 0.069 87.6 114.2 57.2 178.1 33.2 14.3 22.4 87 112 A G - 0 0 35 1,-0.0 2,-0.4 46,-0.0 -49,-0.2 -0.557 69.6 -90.2 92.1 178.1 34.1 11.3 24.4 88 113 A S E +k 38 0B 78 -51,-2.3 -49,-1.1 -2,-0.2 2,-0.3 -0.868 65.3 127.7-148.4 77.5 31.9 8.9 26.2 89 114 A Y E +k 39 0B 20 -2,-0.4 2,-0.2 -51,-0.2 -51,-0.0 -1.000 14.0 144.3-154.3 148.2 31.2 9.8 29.8 90 115 A L - 0 0 85 -51,-1.0 2,-0.4 -2,-0.3 48,-0.1 -0.851 30.6-138.0-179.7 140.0 28.4 10.3 32.4 91 116 A F - 0 0 3 46,-0.4 46,-0.2 -2,-0.2 3,-0.1 -0.926 4.8-159.7-107.3 135.5 27.5 9.8 36.0 92 117 A S S S- 0 0 77 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.758 73.1 -15.7 -80.3 -27.7 24.0 8.4 36.9 93 118 A D S > S- 0 0 76 44,-0.1 4,-1.8 1,-0.1 -1,-0.2 -0.984 70.7 -89.4-164.9 172.8 24.3 9.7 40.4 94 119 A D H > S+ 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.844 118.8 54.5 -58.8 -40.0 26.4 11.1 43.3 95 120 A S H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 107.3 50.7 -65.3 -42.7 27.2 7.7 44.8 96 121 A Q H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 113.0 46.3 -56.3 -46.4 28.5 6.4 41.5 97 122 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.859 108.9 54.7 -68.2 -36.7 30.8 9.5 41.2 98 123 A E H X S+ 0 0 81 -4,-2.4 4,-1.0 2,-0.2 3,-0.4 0.926 107.6 49.8 -62.6 -44.0 31.9 9.1 44.9 99 124 A T H >X S+ 0 0 97 -4,-2.3 4,-1.6 1,-0.2 3,-1.0 0.961 107.4 57.3 -53.3 -49.1 33.0 5.5 44.1 100 125 A F H 3X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.778 93.4 65.3 -56.5 -31.4 34.8 7.0 41.1 101 126 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.3 0.930 104.6 46.6 -53.5 -47.3 36.9 9.4 43.3 102 127 A Q H S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-1.0 0.880 112.3 51.0 -59.8 -43.1 40.9 8.0 40.3 105 130 A W H X5S+ 0 0 1 -4,-2.4 6,-2.4 3,-0.2 4,-1.0 0.928 116.5 39.7 -61.9 -45.7 42.9 8.2 43.5 106 131 A D H <5S+ 0 0 17 -4,-2.9 -2,-0.2 4,-0.2 -1,-0.2 0.845 122.3 42.2 -74.0 -32.7 44.1 4.6 43.1 107 132 A T H <5S+ 0 0 3 -4,-2.8 12,-0.4 -5,-0.3 -2,-0.2 0.888 136.2 7.7 -83.0 -35.6 44.6 4.8 39.3 108 133 A F H <5S+ 0 0 2 -4,-2.7 16,-1.9 -5,-0.3 -3,-0.2 0.639 121.7 49.1-122.1 -19.8 46.2 8.2 39.0 109 134 A G S < - 0 0 50 -2,-0.3 3,-2.1 1,-0.1 -56,-0.1 -0.895 12.4-162.2-108.4 105.4 48.2 2.6 36.3 118 143 A P T 3 S+ 0 0 0 0, 0.0 -57,-2.9 0, 0.0 -53,-0.2 0.800 96.6 40.7 -53.9 -29.4 48.3 4.2 32.9 119 144 A F T > S- 0 0 4 -12,-0.4 3,-2.0 1,-0.3 -59,-0.1 0.065 98.7-142.1-108.6 25.5 51.2 6.3 34.1 120 145 A D T < S- 0 0 64 -3,-2.1 -1,-0.3 1,-0.3 -58,-0.0 -0.247 75.2 -15.0 51.6-128.6 53.1 3.6 36.2 121 146 A S T 3 S+ 0 0 94 2,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.470 107.0 111.7 -93.7 3.0 54.5 5.3 39.3 122 147 A A < - 0 0 3 -3,-2.0 2,-0.4 -5,-0.1 -3,-0.2 -0.482 56.4-151.5 -66.5 141.2 54.0 8.9 38.2 123 148 A V - 0 0 28 -2,-0.2 -14,-0.2 -58,-0.1 -45,-0.1 -0.974 8.9-128.2-123.6 131.2 51.4 10.7 40.1 124 149 A V - 0 0 0 -16,-1.9 -45,-0.2 -2,-0.4 3,-0.1 -0.256 13.1-130.7 -72.2 163.8 49.3 13.5 38.8 125 150 A D S S- 0 0 6 -47,-3.6 33,-2.1 1,-0.2 2,-0.3 0.403 72.4 -66.7 -95.7 7.5 49.0 16.8 40.7 126 151 A G E -de 79 158A 0 -48,-0.6 -46,-3.0 31,-0.2 2,-0.4 -0.963 59.6 -61.1 146.0-160.0 45.2 16.6 40.3 127 152 A F E -de 80 159A 1 31,-1.6 33,-2.3 -2,-0.3 2,-0.4 -0.966 21.4-153.4-133.4 139.0 42.2 16.8 38.0 128 153 A D E -de 81 160A 0 -48,-2.2 -46,-3.6 -2,-0.4 2,-0.9 -0.898 16.0-143.6-101.6 137.9 40.6 19.2 35.5 129 154 A F E +de 82 161A 0 31,-1.9 33,-2.6 -2,-0.4 2,-0.8 -0.814 26.4 167.6-103.6 92.1 36.9 18.9 34.8 130 155 A D E +d 83 0A 5 -48,-2.1 -46,-2.8 -2,-0.9 2,-0.4 -0.513 15.1 170.5-100.4 63.7 36.4 19.7 31.1 131 156 A I + 0 0 3 -2,-0.8 41,-0.2 -48,-0.2 40,-0.2 -0.623 9.3 163.7 -78.7 121.7 32.8 18.5 31.0 132 157 A E + 0 0 48 -48,-0.5 -46,-0.2 -2,-0.4 -1,-0.1 0.108 50.2 87.4-129.3 20.8 31.2 19.4 27.7 133 158 A N S S- 0 0 56 2,-0.2 3,-0.1 -48,-0.1 -1,-0.1 0.432 93.3-118.0-104.7 2.9 28.1 17.2 27.5 134 159 A N S S+ 0 0 115 1,-0.2 2,-0.5 -3,-0.1 37,-0.1 0.741 78.3 118.5 64.8 24.5 25.6 19.5 29.4 135 160 A N - 0 0 50 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 -0.987 38.5-179.1-119.6 121.3 25.1 16.9 32.2 136 161 A E > + 0 0 72 -2,-0.5 3,-0.7 34,-0.1 4,-0.5 0.393 32.6 132.7-101.1 1.0 26.2 18.0 35.6 137 162 A V T 3 S- 0 0 55 1,-0.2 -46,-0.4 -46,-0.2 -44,-0.1 -0.339 74.1 -2.5 -64.0 129.8 25.4 14.9 37.7 138 163 A G T 3> S+ 0 0 0 -46,-0.1 4,-2.5 -2,-0.1 -1,-0.2 -0.036 93.5 105.0 94.4 -25.2 28.1 13.8 40.1 139 164 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.888 82.7 49.6 -64.6 -39.1 31.0 16.2 39.6 140 165 A S H > S+ 0 0 15 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.918 114.4 44.6 -62.6 -42.3 30.4 18.1 42.8 141 166 A A H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.852 113.2 52.9 -70.4 -34.4 30.3 14.9 44.9 142 167 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 109.9 46.5 -65.5 -47.7 33.3 13.6 43.0 143 168 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.905 112.7 50.1 -60.3 -43.6 35.4 16.7 43.7 144 169 A T H X S+ 0 0 72 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.898 112.8 45.9 -66.2 -42.3 34.4 16.7 47.4 145 170 A K H X S+ 0 0 85 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.888 109.6 55.3 -67.3 -45.0 35.3 13.0 47.9 146 171 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 103.4 56.4 -51.1 -44.1 38.6 13.5 46.1 147 172 A R H X S+ 0 0 57 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.881 105.1 50.7 -59.0 -41.1 39.5 16.3 48.6 148 173 A T H < S+ 0 0 81 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.867 112.9 46.9 -63.1 -35.1 39.0 13.9 51.5 149 174 A L H >< S+ 0 0 7 -4,-1.5 3,-2.3 1,-0.2 4,-0.4 0.844 98.3 69.0 -77.1 -35.5 41.3 11.4 49.8 150 175 A F H >< S+ 0 0 17 -4,-2.3 3,-2.0 1,-0.3 5,-0.3 0.815 85.9 69.6 -52.4 -35.0 44.0 14.0 48.9 151 176 A A T 3< S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.662 92.1 60.0 -57.7 -19.9 44.9 14.3 52.6 152 177 A E T < S+ 0 0 121 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.667 95.0 86.1 -79.3 -21.0 46.3 10.7 52.3 153 178 A G S < S- 0 0 17 -3,-2.0 4,-0.0 -4,-0.4 3,-0.0 0.043 80.3-126.7 -72.0-174.0 48.8 12.0 49.7 154 179 A T S S+ 0 0 120 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.195 84.1 37.6-124.5 13.8 52.2 13.6 50.2 155 180 A K S S- 0 0 66 -5,-0.3 2,-0.3 -30,-0.0 -2,-0.1 -0.930 94.0 -78.4-154.1 166.8 51.8 16.8 48.2 156 181 A Q - 0 0 122 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.556 43.9-156.6 -69.4 136.6 49.2 19.5 47.4 157 182 A Y - 0 0 7 -2,-0.3 2,-0.4 -10,-0.1 -31,-0.2 -0.863 3.2-148.5-116.0 153.0 46.6 18.5 44.8 158 183 A Y E -e 126 0A 33 -33,-2.1 -31,-1.6 -2,-0.3 2,-0.4 -0.948 6.4-159.8-120.8 140.5 44.6 20.8 42.6 159 184 A L E +e 127 0A 0 -2,-0.4 23,-2.6 -33,-0.2 24,-1.2 -0.977 18.2 174.5-117.0 135.7 41.1 20.6 41.2 160 185 A S E -ef 128 183A 0 -33,-2.3 -31,-1.9 -2,-0.4 2,-0.3 -0.856 17.3-149.4-128.9 168.5 40.1 22.8 38.2 161 186 A A E -ef 129 184A 0 22,-1.8 24,-3.0 -2,-0.3 -31,-0.2 -0.972 8.4-148.0-136.4 151.1 37.1 23.2 35.9 162 187 A A + 0 0 2 -33,-2.6 24,-0.1 -2,-0.3 22,-0.1 -0.511 29.1 170.9-117.2 63.9 36.9 24.3 32.2 163 188 A P - 0 0 0 0, 0.0 24,-2.7 0, 0.0 2,-0.2 -0.229 34.6-118.9 -68.8 158.5 33.5 26.1 31.8 164 189 A Q B -g 187 0A 49 2,-0.2 24,-0.2 22,-0.2 5,-0.1 -0.543 38.8 -98.8 -84.0 168.7 32.7 28.0 28.7 165 190 A c S S+ 0 0 0 22,-1.9 23,-0.1 24,-0.3 4,-0.1 0.823 93.8 100.5 -68.7 -29.1 32.1 31.7 29.2 166 191 A P S S- 0 0 42 0, 0.0 -2,-0.2 0, 0.0 4,-0.1 -0.374 82.0-107.6 -58.9 129.1 28.3 31.7 29.3 167 192 A Y S S+ 0 0 70 1,-0.2 2,-0.1 2,-0.1 -2,-0.1 -0.915 98.0 31.0-109.2 132.7 27.3 31.8 33.0 168 193 A P S S- 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.507 91.0-134.0 -82.1 148.3 26.1 29.5 34.5 169 194 A D > - 0 0 12 1,-0.1 4,-1.5 -2,-0.1 5,-0.3 -0.438 4.2-141.9 -65.7 132.0 27.9 26.7 32.7 170 195 A A T 4 S+ 0 0 49 -2,-0.2 -1,-0.1 1,-0.2 -34,-0.1 0.602 96.3 32.6 -73.9 -16.4 25.5 23.8 31.8 171 196 A S T 4 S+ 0 0 2 -40,-0.2 4,-0.3 -37,-0.1 -1,-0.2 0.749 133.9 20.1-106.0 -43.5 28.1 21.1 32.6 172 197 A V T > S+ 0 0 0 -41,-0.2 4,-3.0 1,-0.1 5,-0.2 0.350 91.0 102.4-112.9 8.8 30.3 22.4 35.4 173 198 A G H X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 5,-0.1 0.924 86.4 45.8 -54.3 -49.4 28.1 25.0 36.9 174 199 A D H > S+ 0 0 54 -5,-0.3 4,-2.0 2,-0.2 5,-0.2 0.920 111.6 52.4 -62.1 -46.8 27.1 22.8 39.8 175 200 A L H > S+ 0 0 1 -4,-0.3 4,-1.7 1,-0.2 3,-0.4 0.952 110.9 46.9 -47.6 -54.7 30.7 21.8 40.4 176 201 A L H < S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 117.0 44.2 -62.9 -32.2 31.7 25.4 40.5 177 202 A E H < S+ 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.701 124.4 29.4 -82.4 -26.2 28.9 26.3 42.9 178 203 A N H < S+ 0 0 91 -4,-2.0 2,-0.3 -3,-0.4 -2,-0.2 0.371 109.3 62.0-123.4 4.0 29.1 23.3 45.3 179 204 A A S < S- 0 0 2 -4,-1.7 2,-0.8 -5,-0.2 35,-0.4 -0.905 81.8-105.4-133.5 162.4 32.7 22.2 45.4 180 205 A D + 0 0 74 -2,-0.3 2,-0.4 33,-0.2 -21,-0.1 -0.761 46.4 179.3 -88.9 107.5 36.1 23.6 46.4 181 206 A I - 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