==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-10 3Q40 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR J.JAKONCIC . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 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 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 1 3 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 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 A 0 0 48 0, 0.0 24,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.4 21.2 24.6 8.0 2 2 A A E -A 24 0A 64 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.997 360.0-164.6-134.7 124.7 23.5 26.4 10.5 3 3 A Q E > -A 23 0A 30 20,-2.8 20,-2.2 -2,-0.4 3,-0.6 -0.949 21.7-145.9-111.0 110.2 22.4 27.9 13.8 4 4 A T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.377 76.4 15.7 -75.0 155.6 25.2 30.2 15.0 5 5 A N T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.889 88.6 170.3 50.1 41.8 26.0 30.6 18.8 6 6 A A < - 0 0 9 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.392 47.4 -80.1 -72.4 157.5 24.0 27.4 19.5 7 7 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.333 48.7-112.8 -54.6 143.0 24.1 25.8 23.0 8 8 A W H 3> S+ 0 0 28 1,-0.2 4,-2.9 199,-0.2 12,-0.2 0.832 114.7 59.1 -52.5 -36.9 27.3 23.8 23.1 9 9 A G H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 105.9 46.9 -63.0 -38.1 25.4 20.5 23.2 10 10 A L H <> S+ 0 0 1 -3,-0.9 4,-0.9 2,-0.2 14,-0.3 0.946 114.0 47.9 -68.8 -45.8 23.7 21.2 19.9 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.916 111.2 52.2 -57.7 -40.5 27.1 22.2 18.4 12 12 A R H >< S+ 0 0 5 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.885 102.1 58.8 -63.5 -40.4 28.6 19.0 19.9 13 13 A I H 3< S+ 0 0 0 -4,-1.9 262,-3.1 1,-0.3 263,-0.4 0.703 112.4 40.4 -60.4 -28.0 25.9 16.7 18.3 14 14 A S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.156 105.3 84.5-110.0 20.3 26.8 17.9 14.8 15 15 A S < - 0 0 16 -3,-1.6 242,-0.1 1,-0.1 261,-0.1 -0.949 61.3-151.6-128.2 142.9 30.6 18.0 15.2 16 16 A T S S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.604 91.6 45.9 -72.6 -15.7 33.5 15.6 15.0 17 17 A S S S- 0 0 60 240,-0.0 3,-0.3 -3,-0.0 -3,-0.1 -0.965 80.1-121.4-132.9 148.3 35.3 17.8 17.6 18 18 A P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.277 85.1 56.2 -70.3 166.0 34.5 19.6 20.9 19 19 A G S S+ 0 0 80 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.667 75.0 112.4 91.7 14.6 34.9 23.3 21.2 20 20 A T - 0 0 67 -3,-0.3 -1,-0.3 -12,-0.2 -8,-0.1 -0.747 46.9-158.4-114.9 170.7 32.7 24.7 18.4 21 21 A S + 0 0 58 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.5 0.310 58.6 93.8-136.1 8.0 29.5 26.7 18.7 22 22 A T - 0 0 25 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.924 60.3-145.9-107.7 131.5 27.5 26.3 15.4 23 23 A Y E -A 3 0A 0 -20,-2.2 -20,-2.8 -2,-0.5 2,-0.4 -0.867 15.7-165.2 -92.8 124.4 24.8 23.6 15.2 24 24 A Y E +A 2 0A 103 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.946 20.4 149.1-113.5 132.3 24.5 22.1 11.6 25 25 A Y - 0 0 34 -24,-1.9 2,-0.2 -2,-0.4 -11,-0.0 -0.992 52.4 -87.9-158.2 153.6 21.5 20.0 10.6 26 26 A D > - 0 0 46 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.484 40.7-125.3 -63.3 135.0 19.3 19.0 7.6 27 27 A E T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.640 103.1 82.4 -62.5 -19.5 16.5 21.6 7.3 28 28 A S T > S- 0 0 28 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.870 75.6-174.7 -50.5 -38.1 13.9 18.8 7.4 29 29 A A T < - 0 0 1 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.711 64.7 -54.0 54.9 34.6 14.5 19.1 11.2 30 30 A G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 59,-0.3 0.620 85.0 168.6 76.0 12.7 12.4 16.2 12.4 31 31 A Q T < + 0 0 112 -3,-2.5 -1,-0.2 1,-0.2 57,-0.2 -0.355 66.2 23.5 -58.0 135.5 9.3 17.4 10.5 32 32 A G T 3 S+ 0 0 24 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.375 103.8 104.4 87.6 -3.1 6.6 14.6 10.4 33 33 A S E < -b 126 0B 0 -3,-1.9 56,-1.7 92,-0.2 -1,-0.4 -0.577 58.9-144.1 -98.4 169.1 8.0 12.9 13.6 34 34 A a E -bc 127 89B 0 92,-1.7 94,-2.3 -2,-0.2 2,-0.4 -0.999 8.0-164.9-136.0 137.4 6.6 13.0 17.1 35 35 A V E -bc 128 90B 0 54,-3.1 56,-2.2 -2,-0.4 2,-0.4 -0.979 7.5-154.9-125.7 122.8 8.4 13.0 20.4 36 36 A Y E -bc 129 91B 0 92,-2.8 94,-2.9 -2,-0.4 2,-0.6 -0.771 6.0-157.5 -88.7 133.0 6.6 12.2 23.7 37 37 A V E -bc 130 92B 1 54,-2.6 56,-2.0 -2,-0.4 2,-0.8 -0.948 5.4-163.2-115.2 109.5 8.3 13.8 26.7 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.6 2,-0.2 -0.840 51.1 84.0-100.8 107.8 7.2 11.8 29.7 39 39 A D E S- c 0 94B 0 54,-2.2 57,-2.4 -2,-0.8 56,-1.4 -0.620 97.3 -29.9-173.5-146.7 8.1 14.0 32.7 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.323 98.4 -96.1 -84.1 3.3 6.7 17.0 34.7 41 41 A G - 0 0 0 52,-0.4 2,-0.4 -4,-0.2 -1,-0.4 -0.592 37.5 -89.7 109.3-176.3 4.8 18.3 31.7 42 42 A I - 0 0 4 21,-0.5 2,-2.1 -2,-0.2 3,-0.1 -0.966 18.1-131.6-142.2 127.2 5.5 20.9 29.0 43 43 A E > - 0 0 38 -2,-0.4 3,-2.0 1,-0.2 6,-0.2 -0.563 30.9-176.7 -74.1 85.6 4.7 24.6 29.1 44 44 A A T 3 S+ 0 0 32 -2,-2.1 7,-0.5 1,-0.3 9,-0.3 0.763 73.0 66.6 -61.5 -26.2 3.2 24.4 25.5 45 45 A S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.545 70.0 119.9 -70.4 -11.5 2.6 28.2 25.5 46 46 A H S X> S- 0 0 10 -3,-2.0 3,-2.4 1,-0.2 4,-0.6 -0.414 70.5-131.9 -56.7 127.8 6.4 28.9 25.5 47 47 A P G >4 S+ 0 0 75 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.791 103.3 71.4 -52.0 -28.2 7.2 30.9 22.3 48 48 A E G 34 S+ 0 0 11 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.702 93.6 53.2 -61.2 -23.5 10.1 28.5 21.8 49 49 A F G X4 S- 0 0 0 -3,-2.4 3,-2.5 30,-0.2 -1,-0.2 0.647 90.1-152.0 -90.5 -18.9 7.7 25.7 20.9 50 50 A E T << - 0 0 107 -3,-0.9 -2,-0.1 -4,-0.6 -5,-0.1 0.783 68.1 -56.2 61.0 31.7 5.9 27.7 18.2 51 51 A G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.466 117.0 110.3 78.8 -1.9 2.6 25.8 18.7 52 52 A R < + 0 0 21 -3,-2.5 38,-2.7 -8,-0.1 2,-0.4 0.450 63.5 74.7 -85.3 -3.6 4.3 22.4 18.0 53 53 A A E +d 90 0B 10 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.861 54.5 165.2-108.8 148.9 3.9 21.3 21.7 54 54 A Q E -d 91 0B 79 36,-1.8 38,-2.9 -2,-0.4 2,-0.4 -0.983 36.3-116.6-154.8 151.8 0.9 20.1 23.5 55 55 A M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.717 31.0 170.1 -82.7 133.7 -0.1 18.3 26.6 56 56 A V E + 0 0 27 36,-2.7 2,-0.3 -2,-0.4 37,-0.2 0.566 61.6 13.4-115.9 -20.0 -1.9 15.0 26.0 57 57 A K E +d 93 0B 77 35,-1.4 37,-2.8 6,-0.1 -1,-0.3 -0.978 51.6 178.7-159.1 141.7 -2.1 13.3 29.4 58 58 A T E -d 94 0B 38 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.983 18.4-162.0-139.5 153.0 -1.7 14.1 33.1 59 59 A Y S S+ 0 0 73 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.260 76.5 68.0-109.3 8.5 -2.1 11.9 36.3 60 60 A Y S S- 0 0 62 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.614 103.9 -85.4-122.5 173.2 -2.4 15.0 38.6 61 61 A Y S S+ 0 0 212 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.725 112.5 30.6 -54.2 -24.3 -4.9 17.8 39.2 62 62 A S - 0 0 39 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.964 59.7-147.0-135.4 156.3 -3.3 19.8 36.4 63 63 A S + 0 0 53 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.457 69.0 117.2 -92.8 -7.4 -1.4 19.2 33.1 64 64 A R S S- 0 0 143 -23,-0.1 2,-1.2 1,-0.1 -2,-0.1 -0.330 73.6-122.7 -59.7 136.6 0.6 22.4 33.8 65 65 A D + 0 0 2 1,-0.2 -24,-0.1 2,-0.1 -1,-0.1 -0.741 37.0 171.2 -78.1 99.4 4.4 22.0 34.2 66 66 A G S S+ 0 0 23 -2,-1.2 -1,-0.2 -26,-0.4 -25,-0.1 0.382 72.5 47.9 -87.4 4.6 4.7 23.5 37.7 67 67 A N S S- 0 0 45 -27,-0.3 146,-0.1 -3,-0.1 -1,-0.1 0.851 88.8-136.4-109.7 -56.6 8.4 22.4 38.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.068 77.7 99.5 119.9 -31.0 10.3 23.3 34.8 69 69 A H H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 85.8 45.8 -54.7 -46.8 12.2 20.0 34.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 112.5 51.4 -67.6 -41.4 9.8 18.6 31.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 140,-0.3 0.911 110.2 49.6 -59.4 -42.3 9.8 22.0 29.8 72 72 A H H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 139,-0.3 0.948 113.1 45.6 -61.3 -50.3 13.6 22.0 29.8 73 73 A C H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.2 0.936 112.8 50.3 -60.0 -46.0 13.8 18.4 28.4 74 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.892 107.8 55.3 -61.9 -36.6 11.1 19.2 25.8 75 75 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 106.1 49.8 -63.0 -37.4 13.1 22.3 24.8 76 76 A T H < S+ 0 0 1 -4,-1.9 8,-2.5 -3,-0.2 9,-0.2 0.855 113.6 48.2 -70.4 -34.5 16.3 20.2 24.1 77 77 A V H < S- 0 0 0 -4,-2.0 8,-3.0 6,-0.2 -2,-0.2 0.966 138.1 -12.1 -61.8 -52.6 14.2 17.8 22.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.308 82.0 131.3-149.0 9.8 12.4 20.3 19.8 79 79 A S X - 0 0 0 -4,-2.0 4,-1.5 -5,-0.4 -30,-0.2 -0.382 62.3-116.9 -70.6 156.2 12.5 24.0 20.7 80 80 A R T 4 S+ 0 0 111 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.905 109.2 20.7 -60.6 -43.9 13.3 26.5 17.9 81 81 A T T 4 S+ 0 0 49 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.850 135.5 32.2 -92.7 -39.9 16.6 27.7 19.6 82 82 A Y T 4 S+ 0 0 37 -7,-0.1 2,-0.3 -76,-0.1 -2,-0.2 0.421 98.7 101.4-103.0 -0.6 17.5 25.0 22.1 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 -5,-0.1 -6,-0.2 -0.602 58.0-150.8 -98.7 150.2 16.2 21.9 20.3 84 84 A V S S+ 0 0 0 -8,-2.5 2,-0.8 -2,-0.3 -6,-0.2 0.905 100.0 38.3 -72.3 -46.4 17.8 19.1 18.2 85 85 A A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.814 74.0-176.2-113.3 88.9 14.7 18.5 16.0 86 86 A K T 3 S+ 0 0 14 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.532 78.1 41.1 -74.2 -8.9 13.4 22.0 15.5 87 87 A K T 3 S+ 0 0 86 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.234 85.6 119.9-120.8 13.7 10.3 20.9 13.6 88 88 A T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.267 66.6-113.6 -71.1 160.6 9.1 17.8 15.5 89 89 A Q E -c 34 0B 69 -56,-1.7 -54,-3.1 -59,-0.3 2,-0.4 -0.871 30.9-151.9 -91.7 130.6 5.7 17.6 17.2 90 90 A L E -cd 35 53B 0 -38,-2.7 -36,-1.8 -2,-0.5 2,-0.5 -0.907 10.4-169.6-109.0 132.0 6.1 17.4 21.0 91 91 A F E -cd 36 54B 7 -56,-2.2 -54,-2.6 -2,-0.4 2,-0.4 -0.985 12.7-145.2-121.2 123.5 3.5 15.6 23.2 92 92 A G E -cd 37 55B 0 -38,-2.9 -36,-2.7 -2,-0.5 -35,-1.4 -0.735 14.7-176.6 -94.0 136.1 3.6 16.0 27.0 93 93 A V E -cd 38 57B 0 -56,-2.0 -54,-2.2 -2,-0.4 2,-1.3 -0.968 18.0-149.5-126.9 109.2 2.7 13.2 29.4 94 94 A K E +cd 39 58B 2 -37,-2.8 -35,-1.6 -2,-0.5 -34,-0.2 -0.695 41.4 143.7 -91.9 92.2 2.8 14.4 33.0 95 95 A V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.538 60.7 71.1 -95.4 -13.6 3.8 11.4 35.1 96 96 A L S S- 0 0 8 -57,-2.4 6,-0.2 -3,-0.2 -57,-0.1 -0.885 79.9-132.0-109.2 137.1 5.9 13.5 37.5 97 97 A D > - 0 0 44 4,-3.3 3,-2.5 -2,-0.4 -2,-0.1 -0.068 41.4 -84.7 -75.4 179.1 4.4 15.9 40.0 98 98 A D T 3 S+ 0 0 36 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.619 129.4 59.4 -68.2 -9.0 5.5 19.5 40.4 99 99 A N T 3 S- 0 0 143 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.372 120.2-108.3 -90.2 2.0 8.2 18.4 42.8 100 100 A G S < S+ 0 0 33 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.522 81.4 124.8 84.6 7.3 9.7 16.2 40.1 101 101 A S + 0 0 64 -61,-0.1 -4,-3.3 -5,-0.0 2,-0.3 -0.704 31.1 168.7-102.8 147.6 8.5 13.0 41.9 102 102 A G - 0 0 22 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.954 33.9-115.4-159.1 141.7 6.2 10.1 40.6 103 103 A Q >> - 0 0 133 -2,-0.3 4,-2.2 -8,-0.2 3,-0.7 -0.488 30.7-121.7 -64.8 143.3 5.2 6.6 41.7 104 104 A Y H 3> S+ 0 0 62 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.849 112.5 61.7 -55.2 -36.2 6.4 3.8 39.5 105 105 A S H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 107.6 44.0 -57.8 -38.2 2.7 2.8 39.0 106 106 A T H <> S+ 0 0 28 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.891 112.1 51.7 -74.4 -43.0 2.0 6.2 37.4 107 107 A I H X S+ 0 0 5 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.908 111.0 48.7 -59.4 -44.3 5.2 6.1 35.3 108 108 A I H X S+ 0 0 31 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.931 109.5 51.3 -61.6 -49.9 4.3 2.7 34.0 109 109 A A H X S+ 0 0 38 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.904 108.4 53.9 -53.2 -41.3 0.7 3.9 33.1 110 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.885 108.2 48.6 -62.1 -38.6 2.3 6.8 31.2 111 111 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.947 113.2 46.0 -68.2 -46.7 4.5 4.5 29.1 112 112 A D H X S+ 0 0 62 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.883 109.6 57.8 -62.2 -34.9 1.6 2.2 28.3 113 113 A F H X S+ 0 0 44 -4,-2.4 4,-3.5 -5,-0.3 -1,-0.2 0.930 106.9 46.7 -58.5 -48.9 -0.4 5.4 27.5 114 114 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 106.0 58.4 -63.9 -40.9 2.2 6.5 24.9 115 115 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.867 118.9 32.1 -57.9 -35.1 2.3 3.1 23.3 116 116 A S H >< S+ 0 0 76 -4,-1.6 3,-1.8 -3,-0.2 -2,-0.2 0.894 114.1 58.1 -81.3 -46.7 -1.5 3.4 22.6 117 117 A D H >< S+ 0 0 6 -4,-3.5 3,-2.8 1,-0.3 4,-0.2 0.774 88.8 72.5 -65.3 -25.4 -1.8 7.2 22.1 118 118 A K G >< S+ 0 0 29 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.823 89.3 64.4 -58.2 -29.5 0.7 7.2 19.2 119 119 A N G < S+ 0 0 125 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.574 100.2 51.8 -66.1 -10.6 -2.2 5.6 17.3 120 120 A N G < S+ 0 0 114 -3,-2.8 2,-0.3 -4,-0.2 -1,-0.2 0.285 103.5 73.8-102.2 6.7 -4.2 8.8 17.8 121 121 A R S < S- 0 0 69 -3,-1.5 2,-0.8 -4,-0.2 -87,-0.1 -0.853 81.5-118.6-125.4 155.4 -1.4 11.1 16.5 122 122 A N + 0 0 148 -2,-0.3 3,-0.1 1,-0.1 -90,-0.1 -0.835 48.6 146.4-100.8 107.2 -0.0 11.8 13.0 123 123 A a > + 0 0 20 -2,-0.8 3,-1.7 -5,-0.2 -89,-0.2 -0.550 8.7 165.1-137.2 62.0 3.6 10.8 13.0 124 124 A P T 3 S+ 0 0 110 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.781 79.5 49.9 -61.8 -22.9 4.4 9.5 9.5 125 125 A K T 3 S- 0 0 108 -93,-2.8 -92,-0.2 1,-0.3 2,-0.2 0.545 122.6 -90.9 -92.9 -6.8 8.1 9.7 10.1 126 126 A G E < -b 33 0B 19 -3,-1.7 -92,-1.7 -94,-0.6 2,-0.4 -0.520 35.7 -88.2 122.3 172.8 8.0 7.8 13.4 127 127 A V E -be 34 153B 11 25,-0.5 27,-2.5 -94,-0.2 2,-0.3 -0.942 28.1-174.9-129.1 138.0 7.6 8.2 17.1 128 128 A V E -be 35 154B 0 -94,-2.3 -92,-2.8 -2,-0.4 2,-0.4 -0.940 9.7-155.5-126.3 150.9 10.1 8.7 20.0 129 129 A A E -be 36 155B 0 25,-2.7 27,-2.9 -2,-0.3 2,-0.5 -1.000 6.0-157.1-128.0 133.8 9.6 8.8 23.7 130 130 A S E -be 37 156B 1 -94,-2.9 -92,-2.3 -2,-0.4 2,-0.6 -0.946 7.4-173.1-108.7 121.1 12.1 10.6 26.0 131 131 A L E + e 0 157B 0 25,-2.9 27,-2.2 -2,-0.5 2,-1.5 -0.818 9.9 175.2-121.2 88.0 12.2 9.5 29.7 132 132 A S + 0 0 3 -2,-0.6 2,-0.3 -94,-0.5 92,-0.1 -0.568 57.6 82.9 -89.1 68.7 14.4 11.8 31.8 133 133 A L + 0 0 18 -2,-1.5 25,-0.3 25,-0.1 2,-0.3 -0.967 44.4 145.0-162.7 165.3 13.5 9.9 35.0 134 134 A G - 0 0 57 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.875 13.6-175.7 166.1 163.9 14.3 6.9 37.0 135 135 A G E -K 170 0C 25 35,-2.1 35,-2.3 -2,-0.3 37,-0.2 -0.731 54.2 -28.5-153.7-154.5 14.7 5.3 40.4 136 136 A G E S-K 169 0C 41 33,-0.2 33,-0.3 -2,-0.2 -1,-0.3 -0.139 86.2 -63.7 -69.6 164.7 15.9 1.9 41.8 137 137 A Y + 0 0 131 31,-1.6 2,-0.3 32,-0.2 -1,-0.2 -0.178 57.3 170.9 -49.8 130.9 15.7 -1.3 39.8 138 138 A S > - 0 0 23 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.931 28.2-157.8-143.7 121.2 12.1 -2.4 39.0 139 139 A S H > S+ 0 0 75 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.855 99.0 53.3 -66.0 -30.7 11.4 -5.3 36.7 140 140 A S H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.6 48.0 -72.6 -38.0 7.9 -3.8 36.2 141 141 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 114.3 47.1 -64.4 -42.1 9.2 -0.4 35.2 142 142 A N H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 109.9 53.5 -65.7 -39.4 11.7 -2.1 32.8 143 143 A S H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 107.6 50.4 -62.3 -43.1 8.9 -4.2 31.4 144 144 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.905 111.2 48.6 -59.9 -42.8 6.8 -1.1 30.7 145 145 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.900 111.1 51.0 -67.2 -38.0 9.8 0.5 28.9 146 146 A A H X S+ 0 0 24 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.895 109.5 49.7 -68.0 -38.4 10.3 -2.7 26.8 147 147 A R H X S+ 0 0 98 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.943 109.4 51.6 -65.1 -44.7 6.7 -2.8 25.8 148 148 A L H <>S+ 0 0 0 -4,-2.4 5,-1.0 2,-0.2 4,-0.2 0.937 114.0 43.5 -57.4 -44.7 6.8 0.8 24.7 149 149 A Q H >X5S+ 0 0 24 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.938 112.3 52.8 -61.6 -50.7 9.9 0.1 22.6 150 150 A S H 3<5S+ 0 0 108 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.838 99.9 65.2 -52.1 -37.8 8.3 -3.2 21.2 151 151 A S T 3<5S- 0 0 43 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.558 129.1 -90.3 -67.8 -5.1 5.2 -1.1 20.2 152 152 A G T <45S+ 0 0 36 -3,-2.0 -25,-0.5 1,-0.3 2,-0.4 0.697 86.5 126.2 101.7 25.6 7.3 0.8 17.6 153 153 A V E << -e 127 0B 0 -5,-1.0 2,-0.9 -4,-0.6 -1,-0.3 -0.959 62.2-126.1-115.0 134.5 8.5 3.8 19.7 154 154 A M E -e 128 0B 2 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.6 -0.714 33.1-155.6 -78.3 109.6 12.2 4.7 19.9 155 155 A V E -e 129 0B 0 -2,-0.9 23,-2.7 90,-0.2 2,-0.5 -0.810 14.2-175.3 -97.1 118.5 12.6 4.8 23.7 156 156 A A E -ef 130 178B 0 -27,-2.9 -25,-2.9 -2,-0.6 2,-0.3 -0.972 9.5-178.8-110.8 127.2 15.4 7.0 25.1 157 157 A V E -ef 131 179B 0 21,-2.9 23,-3.0 -2,-0.5 -25,-0.2 -0.947 30.0-106.4-128.6 147.6 16.0 6.9 28.9 158 158 A A E - f 0 180B 6 -27,-2.2 14,-0.2 -2,-0.3 23,-0.2 -0.486 17.2-142.0 -69.7 138.7 18.4 8.6 31.3 159 159 A A - 0 0 1 21,-2.6 22,-0.1 -2,-0.2 -1,-0.1 0.800 52.8-109.5 -70.4 -27.0 21.2 6.4 32.7 160 160 A G - 0 0 17 20,-0.4 34,-2.5 34,-0.1 3,-0.2 -0.253 12.5-102.9 111.1 158.6 20.8 8.2 36.1 161 161 A N S S+ 0 0 75 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.208 84.5 101.2-111.3 38.9 22.9 10.7 38.2 162 162 A N S S- 0 0 80 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.343 83.3-125.1-106.8 2.9 24.4 8.4 40.8 163 163 A N S S+ 0 0 80 29,-2.5 2,-0.3 -3,-0.2 31,-0.2 0.939 79.3 106.6 43.7 51.4 28.0 8.0 39.4 164 164 A A S S- 0 0 26 28,-0.3 31,-2.0 -4,-0.1 2,-0.4 -0.858 84.6 -63.9-145.7 173.5 27.2 4.3 39.6 165 165 A D B > -l 195 0D 38 -2,-0.3 3,-1.5 29,-0.2 31,-0.2 -0.574 39.2-142.6 -70.9 125.7 26.4 1.3 37.4 166 166 A A G > S+ 0 0 0 29,-3.1 3,-1.9 -2,-0.4 -1,-0.1 0.542 86.9 89.9 -65.1 -10.6 23.1 1.9 35.7 167 167 A R G 3 S+ 0 0 142 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.772 85.4 55.1 -56.0 -24.6 22.2 -1.9 36.1 168 168 A N G < S+ 0 0 99 -3,-1.5 -31,-1.6 -31,-0.1 2,-0.3 0.257 100.8 72.1 -95.5 12.8 20.7 -0.9 39.5 169 169 A Y E <> S-K 136 0C 58 -3,-1.9 4,-2.3 -33,-0.3 -33,-0.2 -0.907 77.0-102.8-131.0 152.3 18.3 1.7 38.1 170 170 A S E 4 S+K 135 0C 0 -35,-2.3 -35,-2.1 -2,-0.3 -31,-0.1 -0.980 93.7 2.1-133.2 144.2 15.1 1.7 36.1 171 171 A P T >4 S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.981 123.5 71.6 -78.3 6.5 14.1 2.2 33.3 172 172 A A T 34 S+ 0 0 2 1,-0.3 -2,-0.3 -14,-0.2 -15,-0.1 0.847 97.3 52.5 -45.0 -42.0 18.0 2.8 32.8 173 173 A S T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 -7,-0.1 -3,-0.1 0.474 76.4 111.8 -84.4 0.5 18.7 -1.0 33.1 174 174 A E X - 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