==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 26-NOV-97 1AZ8 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.ALEXANDER,A.SMALLWOOD . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 4 1.8 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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+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 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.9 35.6 20.7 19.1 2 17 A V B +A 171 0A 10 169,-3.2 169,-2.1 1,-0.2 123,-0.1 -0.880 360.0 5.3 -97.1 129.6 37.7 19.8 16.1 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.763 102.2 119.8 75.2 26.8 39.3 22.7 14.3 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.180 56.1-112.9-106.4-158.8 38.2 25.4 16.7 5 20 A Y E -B 137 0B 100 132,-2.4 132,-3.3 -2,-0.1 2,-0.4 -0.890 36.2 -86.6-136.4 160.1 40.0 27.9 19.0 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.611 35.3-148.9 -68.9 124.0 40.3 28.5 22.7 7 22 A a - 0 0 17 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.919 34.7-115.5 -61.7 -45.3 37.3 30.5 23.8 8 23 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.056 46.1 -60.5 104.9 136.9 39.0 32.3 26.6 9 24 A A T 3 S- 0 0 45 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.324 117.3 -7.8 -61.5 122.9 38.0 31.9 30.2 10 25 A N T 3 S+ 0 0 22 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.668 91.8 122.6 70.5 23.7 34.4 32.8 30.9 11 26 A T S < S+ 0 0 85 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.584 75.7 49.6 -89.7 -7.3 33.7 34.3 27.5 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.748 74.5 175.4-125.6 76.9 30.8 31.8 27.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-0.8 0, 0.0 38,-0.3 0.655 70.8 55.6 -73.1 -14.6 29.0 32.4 30.3 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.449 81.2 111.6 -93.1 -4.2 26.0 30.1 29.7 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.575 47.4-172.1 -73.8 127.9 28.1 27.0 29.0 16 31 A V E -J 27 0C 2 11,-2.3 11,-1.2 -2,-0.4 2,-0.4 -0.872 18.6-140.8-115.7 153.6 27.9 24.3 31.6 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.0 -2,-0.3 2,-0.6 -0.932 15.8-142.3-104.2 132.5 29.8 21.1 32.1 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.7 -2,-0.4 7,-1.0 -0.908 23.8-167.9 -92.7 124.2 27.7 18.1 33.3 19 34 A N E +JK 23 47C 22 28,-2.7 28,-2.5 -2,-0.6 4,-0.2 -0.961 30.1 167.2-121.9 128.5 29.8 16.1 35.7 20 37 A S S S- 0 0 30 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.323 97.8 -45.8-123.6 46.5 29.2 12.6 37.1 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.135 141.8 25.0 103.7 -14.8 32.6 12.2 38.6 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.944 104.2 -78.0-167.6 159.9 34.0 13.5 35.3 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.559 51.1 159.3 -67.7 130.4 32.7 15.8 32.5 24 41 A F E + 0 0 31 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.603 59.5 2.1-127.5 -15.6 30.4 13.8 30.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.969 62.2-120.3-164.4 158.7 28.3 16.4 28.4 26 43 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.465 28.5 178.6 -94.6-179.1 27.8 20.1 28.0 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.947 23.7-115.1-168.5 176.3 24.6 22.1 28.6 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.996 18.3-132.0-135.5 125.0 23.2 25.6 28.5 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.670 27.9 172.3 -72.1 117.5 22.0 27.7 31.4 30 47 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.572 67.6 -8.5-106.3 -15.6 18.7 29.1 30.4 31 48 A N E > S- L 0 34C 50 3,-1.4 3,-0.8 70,-0.1 -1,-0.3 -0.934 89.7 -77.2-161.0-176.7 17.7 30.7 33.7 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.671 128.1 24.4 -64.9 -15.6 19.1 30.7 37.3 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.373 111.5 72.0-129.9 5.3 17.7 27.2 38.1 34 51 A W E < -LM 31 89C 9 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.4 -0.978 48.1-172.0-133.8 138.8 17.4 25.4 34.7 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.948 13.7-146.8-121.6 138.4 19.8 23.9 32.2 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.907 31.9 149.5-100.2 140.1 19.0 22.5 28.7 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.4 -0.806 49.8 -66.8-147.0-170.7 21.0 19.6 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.719 33.1-133.9 -86.3 137.8 20.7 16.6 25.0 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.826 107.6 66.2 -56.7 -29.2 18.3 13.8 26.1 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.623 92.7 62.5 -74.0 -2.4 21.2 11.4 25.1 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.3 -15,-0.0 -2,-0.2 0.413 77.6 131.0 -94.0 -0.2 23.2 12.9 28.0 42 59 A Y < + 0 0 122 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.297 21.4 133.8 -62.0 131.5 20.6 11.7 30.6 43 60 A K - 0 0 58 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.945 52.3 -97.1-159.5 169.2 21.9 9.9 33.7 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.526 96.7 36.9 -81.9 157.1 21.4 9.9 37.4 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.895 74.2 171.0 74.6 41.7 23.7 11.8 39.8 46 63 A I - 0 0 10 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.719 18.1-166.1 -88.4 129.8 24.4 14.9 37.7 47 64 A Q E -KN 19 66C 46 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.979 17.2-139.0-108.1 128.8 26.2 17.9 39.1 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.6 -0.782 13.3-158.9 -86.4 127.0 26.0 21.0 37.0 49 65AA R E -KN 17 64C 55 -32,-3.0 -32,-2.4 -2,-0.5 3,-0.3 -0.928 14.7-180.0-111.3 110.9 29.3 22.9 36.9 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.650 59.1 33.2-103.2 163.3 29.0 26.6 35.9 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.723 84.6 155.0 69.2 21.4 31.6 29.2 35.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.580 22.5 151.2 -86.6 143.0 34.1 26.7 34.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.336 81.8 29.5-117.7 -82.7 37.1 27.2 32.0 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.3 1,-0.2 -1,-0.4 -0.663 73.6-160.9 -70.5 109.7 39.7 24.6 32.9 55 73 A I T 3 S+ 0 0 31 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.541 88.1 53.1 -73.4 -4.8 37.5 21.7 34.1 56 74 A N T 3 S+ 0 0 121 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.397 105.9 57.3-103.8 -2.1 40.4 20.1 35.8 57 75 A V S < S- 0 0 75 -3,-1.3 2,-0.7 76,-0.2 -4,-0.3 -0.993 76.7-131.0-133.2 132.0 41.5 23.2 37.9 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.690 33.7 170.2 -80.9 109.7 39.5 25.2 40.3 59 77 A E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.409 53.6 -96.1-105.7 -5.2 40.3 28.7 39.1 60 78 A G S S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.105 104.4 77.6 120.2 -23.6 37.8 30.8 41.1 61 79 A N + 0 0 61 -10,-0.3 -9,-0.1 2,-0.0 2,-0.1 0.398 66.0 118.6-102.6 6.7 34.7 31.3 39.0 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.312 40.1-168.6 -79.8 151.9 33.0 28.0 39.4 63 81 A Q E -N 50 0C 39 -13,-1.8 -13,-2.9 2,-0.1 2,-0.6 -0.978 8.4-162.1-132.7 118.5 29.6 27.1 40.9 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.945 18.4 167.7-105.9 119.4 28.9 23.4 41.5 65 83 A I E -N 48 0C 13 -17,-2.6 -17,-3.1 -2,-0.6 2,-0.1 -0.993 28.9-128.9-136.0 129.4 25.3 22.6 42.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.381 27.2-112.1 -74.4 151.7 23.5 19.3 41.9 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.658 20.0-166.7 -80.7 136.8 20.5 18.6 39.8 68 86 A S E S- 0 0 48 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.756 74.1 -1.7 -92.3 -33.4 17.2 18.1 41.7 69 87 A K E -O 89 0C 77 20,-1.1 20,-3.0 2,-0.0 2,-0.4 -0.992 56.9-154.4-153.2 155.9 15.4 16.7 38.7 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.983 7.8-160.2-130.0 139.9 15.9 16.0 35.0 71 89 A I E -O 87 0C 39 16,-3.1 16,-2.4 -2,-0.4 2,-0.3 -0.948 5.4-156.7-124.7 106.4 13.1 15.8 32.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.618 42.0 -91.1 -79.1 139.1 13.8 14.0 29.1 73 91 A H > - 0 0 22 12,-2.1 3,-2.0 10,-0.3 -1,-0.1 -0.287 35.0-122.6 -50.2 137.9 11.5 15.2 26.3 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 108.8 41.6 -59.5 -27.5 8.4 13.1 26.2 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.135 78.4 143.9-108.4 21.2 9.0 12.0 22.6 76 94 A Y < - 0 0 59 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.393 31.5-163.1 -62.7 129.7 12.7 11.3 22.7 77 95 A N B >> -P 82 0D 64 5,-2.2 4,-2.5 -2,-0.1 5,-0.5 -0.939 8.0-165.1-117.9 111.1 13.7 8.4 20.6 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.645 86.8 56.0 -71.0 -19.2 17.2 7.0 21.4 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.899 123.8 21.6 -78.0 -40.4 17.4 5.0 18.2 80 98 A T T 45S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.591 96.2-131.6-101.5 -13.1 16.8 8.0 15.8 81 99 A L T ><5 + 0 0 30 -4,-2.5 3,-0.8 1,-0.3 -3,-0.2 0.593 49.8 158.0 61.6 19.7 17.8 10.8 18.2 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.485 66.2 15.6 -69.8 136.3 14.6 12.6 17.3 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.903 79.8 178.1 65.7 44.8 13.7 15.1 20.0 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.527 34.2 112.4 -81.6 79.2 17.2 14.9 21.6 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.994 37.5 179.9-155.3 145.5 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.992 17.9-139.8-151.8 142.0 16.4 17.4 28.2 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-3.1 -2,-0.3 2,-0.5 -0.903 13.7-164.0-107.5 139.2 15.8 19.9 31.0 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.990 7.8-149.9-124.7 122.1 17.7 19.8 34.3 89 107 A K E -MO 34 69C 35 -20,-3.0 -21,-2.7 -2,-0.5 -20,-1.1 -0.813 17.7-130.8 -89.6 135.3 16.6 21.7 37.4 90 108 A L E - O 0 67C 0 -57,-2.8 -23,-0.2 -2,-0.4 -24,-0.1 -0.612 10.7-130.8 -83.3 143.7 19.3 22.9 39.8 91 109 A K S S+ 0 0 131 -25,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.888 96.8 17.4 -60.1 -37.8 18.9 22.2 43.6 92 110 A S S S- 0 0 64 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.918 94.9 -97.7-131.5 155.6 19.7 25.8 44.2 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.468 39.9-119.4 -71.0 139.4 19.6 28.8 41.9 94 112 A A - 0 0 8 -62,-3.0 2,-0.7 -2,-0.1 -1,-0.1 -0.454 23.7-114.0 -69.4 153.9 23.0 29.9 40.4 95 113 A S - 0 0 79 -2,-0.1 2,-0.3 6,-0.0 -1,-0.0 -0.874 35.5-143.8 -90.5 116.9 24.4 33.3 41.2 96 114 A L + 0 0 78 -2,-0.7 2,-0.2 3,-0.1 5,-0.2 -0.644 36.3 138.7 -92.3 130.6 24.4 35.1 37.9 97 115 A N - 0 0 74 3,-3.0 3,-0.1 -2,-0.3 -1,-0.0 -0.753 68.7 -65.8-144.0-160.3 27.1 37.5 37.0 98 116 A S S S+ 0 0 101 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.867 134.5 40.7 -65.0 -36.2 29.3 38.5 34.1 99 117 A R S S+ 0 0 98 1,-0.2 2,-0.4 -87,-0.1 -1,-0.2 0.596 120.9 45.1 -87.8 -19.4 31.0 35.1 34.0 100 118 A V S S+ 0 0 1 -50,-0.1 -3,-3.0 -3,-0.1 2,-0.3 -0.936 76.5 145.5-129.9 108.3 27.8 33.2 34.7 101 119 A A - 0 0 30 -88,-0.8 -72,-0.3 -2,-0.4 2,-0.2 -0.955 43.5-112.2-140.6 154.1 24.8 34.2 32.7 102 120 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.530 24.7-132.0 -86.5 157.3 21.8 32.7 31.1 103 121 A I - 0 0 14 -74,-2.5 2,-0.2 -2,-0.2 83,-0.1 -0.882 25.8-115.9-108.8 140.2 21.2 32.4 27.3 104 122 A S B -c 186 0B 59 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.521 20.8-121.2 -77.9 146.0 17.9 33.4 25.8 105 123 A L - 0 0 26 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.450 39.5 -97.5 -78.4 150.7 15.5 31.0 24.0 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.405 17.3-159.1 -72.2 149.1 14.6 31.9 20.3 107 125 A T S S+ 0 0 139 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.555 85.5 11.4 -92.4 -14.1 11.5 33.7 19.3 108 127 A S S S- 0 0 78 -3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.978 89.0 -90.3-156.5 161.4 12.0 32.2 15.8 109 128 A c - 0 0 59 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.401 43.7-114.5 -75.6 150.4 14.0 29.6 14.0 110 129 A A - 0 0 28 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.618 27.9-123.0 -88.7 149.5 17.3 30.5 12.5 111 130 A S > - 0 0 87 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.555 31.9 -88.6 -90.6 153.7 17.8 30.5 8.7 112 132 A A T 3 S+ 0 0 61 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.294 116.0 36.5 -51.0 134.7 20.4 28.6 6.6 113 133 A G T 3 S+ 0 0 60 29,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.236 81.9 134.7 97.4 -11.0 23.5 30.8 6.3 114 134 A T < - 0 0 31 -3,-2.1 28,-2.4 29,-0.1 -1,-0.4 -0.524 56.7-125.8 -69.2 132.3 23.2 32.1 9.9 115 135 A Q E -D 141 0B 114 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.640 33.6-174.3 -82.6 140.5 26.6 32.1 11.6 116 136 A d E -D 140 0B 1 24,-1.9 24,-2.1 -2,-0.3 2,-0.5 -0.851 23.8-130.1-134.6 160.9 26.7 30.3 15.0 117 137 A L E -DE 139 182B 38 65,-2.2 65,-2.2 -2,-0.3 2,-0.4 -0.987 22.2-174.1-119.9 120.8 29.0 29.6 17.9 118 138 A I E +DE 138 181B 0 20,-3.1 20,-2.2 -2,-0.5 2,-0.3 -0.911 11.0 175.9-113.3 137.2 29.4 26.1 19.1 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.968 11.3 121.1-143.6 157.6 31.4 25.4 22.2 120 140 A G E -D 136 0B 1 16,-1.9 16,-2.1 -2,-0.3 56,-0.2 -0.928 58.9-100.2 169.7 178.7 32.4 22.5 24.5 121 141 A W S S+ 0 0 2 54,-0.6 55,-0.2 -2,-0.3 3,-0.1 0.023 73.2 128.5-108.7 19.6 35.2 20.5 26.1 122 142 A G - 0 0 0 1,-0.2 53,-0.3 51,-0.1 52,-0.1 -0.098 68.6 -52.6 -71.4 178.9 34.8 17.5 23.7 123 143 A N - 0 0 12 51,-2.7 8,-0.2 8,-0.1 -1,-0.2 -0.088 38.7-157.1 -53.6 142.1 37.4 15.7 21.6 124 144 A T + 0 0 20 6,-2.2 -121,-0.5 -3,-0.1 2,-0.3 0.406 69.2 70.2-106.8 3.1 39.6 17.9 19.4 125 145 A K - 0 0 95 3,-0.3 5,-0.2 5,-0.2 -123,-0.1 -0.913 62.8-150.2-122.0 149.2 40.6 15.2 16.8 126 146 A S S S+ 0 0 57 -2,-0.3 71,-0.4 72,-0.1 -1,-0.1 0.812 100.5 13.2 -83.9 -35.9 38.6 13.4 14.1 127 147 A S S S+ 0 0 115 69,-0.1 -2,-0.1 2,-0.0 2,-0.0 0.752 128.5 47.9-105.4 -44.6 40.5 10.1 14.1 128 148 A G S S- 0 0 38 -4,-0.1 2,-0.4 2,-0.0 -3,-0.3 -0.180 81.8-114.5 -85.7-172.1 42.6 10.4 17.3 129 149 A T + 0 0 105 -5,-0.1 2,-0.3 -6,-0.1 -3,-0.1 -0.985 39.8 148.0-131.5 128.8 41.6 11.4 20.8 130 150 A S - 0 0 55 -2,-0.4 -6,-2.2 -5,-0.2 -5,-0.2 -0.794 25.4-156.2-159.8 117.6 42.6 14.4 22.8 131 151 A Y - 0 0 95 -2,-0.3 -8,-0.1 -8,-0.2 2,-0.1 -0.867 15.0-136.7 -99.3 127.5 40.4 16.1 25.3 132 152 A P - 0 0 18 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.460 4.6-150.1 -75.1 153.7 41.1 19.7 26.2 133 153 A D S S+ 0 0 74 -2,-0.1 -78,-2.6 -79,-0.1 -77,-0.3 0.763 82.8 57.8 -89.5 -24.5 41.0 21.0 29.7 134 154 A V S S- 0 0 40 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.621 100.5 -84.8-109.4 160.3 39.8 24.4 28.6 135 155 A L - 0 0 4 -2,-0.2 -128,-2.3 -129,-0.1 -127,-0.5 -0.405 40.0-155.2 -73.5 132.0 36.8 25.5 26.6 136 156 A K E -BD 6 120B 49 -16,-2.1 -16,-1.9 -130,-0.2 2,-0.3 -0.828 6.7-159.4-106.8 149.0 37.0 25.4 22.8 137 157 A a E -BD 5 119B 3 -132,-3.3 -132,-2.4 -2,-0.3 2,-0.3 -0.901 8.9-174.3-127.4 153.0 34.8 27.4 20.4 138 158 A L E - D 0 118B 7 -20,-2.2 -20,-3.1 -2,-0.3 2,-0.5 -0.971 15.9-147.0-147.3 131.1 33.9 27.1 16.8 139 159 A K E + D 0 117B 104 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.859 33.1 162.8 -94.0 130.2 31.9 29.5 14.5 140 160 A A E - D 0 116B 0 -24,-2.1 -24,-1.9 -2,-0.5 2,-0.2 -0.991 32.8-120.9-150.2 142.4 29.9 27.6 11.9 141 161 A P E - D 0 115B 36 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.602 29.5-110.3 -82.7 148.3 27.0 28.4 9.6 142 162 A I B -F 163 0B 10 -28,-2.4 -29,-3.0 -31,-0.3 21,-0.3 -0.566 39.4-136.2 -66.3 133.2 23.6 26.7 9.6 143 163 A L - 0 0 24 19,-2.8 19,-0.3 -2,-0.3 -29,-0.1 -0.560 22.9 -92.0 -92.5 158.7 23.3 24.6 6.5 144 164 A S > - 0 0 48 -2,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.344 31.5-122.8 -64.8 150.4 20.3 24.2 4.1 145 165 A D H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.810 112.1 60.4 -69.0 -20.5 18.0 21.4 5.0 146 166 A S H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 108.4 40.9 -69.1 -45.8 18.6 20.1 1.5 147 167 A S H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.893 113.6 55.7 -69.8 -35.4 22.3 19.7 2.0 148 168 A e H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.957 111.8 42.1 -59.3 -49.2 21.6 18.4 5.5 149 169 A K H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.6 55.0 -70.0 -35.0 19.3 15.7 4.0 150 170 A S H < S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 110.6 46.6 -61.1 -38.7 21.7 14.9 1.1 151 171 A A H < S+ 0 0 12 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 125.7 29.5 -71.0 -37.8 24.4 14.3 3.7 152 172 A Y S >X S- 0 0 0 -4,-2.1 3,-2.1 -5,-0.2 4,-0.7 -0.586 83.7-159.5-127.4 69.8 22.3 12.1 5.9 153 173 A P T 34 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.204 77.1 0.5 -51.7 124.4 19.7 10.4 3.7 154 174 A G T 34 S+ 0 0 91 2,-0.1 -5,-0.1 1,-0.1 -4,-0.1 0.519 117.0 83.1 78.2 10.2 16.7 9.2 5.7 155 175 A Q T <4 + 0 0 86 -3,-2.1 2,-0.5 -6,-0.2 -1,-0.1 0.533 60.5 90.7-124.1 -13.9 18.0 10.5 9.0 156 176 A I < - 0 0 20 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.800 52.2-172.6 -96.3 124.4 17.1 14.1 9.3 157 177 A T > - 0 0 38 -2,-0.5 3,-1.6 4,-0.0 -2,-0.0 -0.618 43.7 -96.8-102.4 176.3 13.8 15.0 10.9 158 178 A S T 3 S+ 0 0 85 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.610 122.5 63.5 -64.8 -15.1 12.0 18.4 11.3 159 179 A N T 3 S+ 0 0 24 48,-0.0 49,-2.7 51,-0.0 2,-0.3 0.219 98.4 69.9 -96.5 19.6 13.5 18.6 14.8 160 180 A M E < - G 0 207B 5 -3,-1.6 2,-0.3 47,-0.2 47,-0.2 -0.930 53.0-176.5-138.6 147.3 17.1 18.7 13.4 161 181 A F E - G 0 206B 8 45,-2.1 45,-3.3 -2,-0.3 2,-0.4 -0.984 20.9-127.4-140.4 158.4 19.5 20.9 11.5 162 182 A e E + G 0 205B 0 -19,-0.3 -19,-2.8 -2,-0.3 2,-0.3 -0.796 25.2 175.3-100.9 145.5 23.0 20.7 10.2 163 183 A A E +FG 142 204B 0 41,-2.3 41,-1.4 -2,-0.4 2,-0.4 -0.989 37.4 49.5-146.1 144.0 25.7 23.1 10.8 164 184 A G S S- 0 0 3 -23,-2.1 2,-0.4 -2,-0.3 7,-0.1 -0.983 84.9 -42.5 137.3-142.6 29.3 23.1 9.9 165 184AA Y > - 0 0 61 5,-0.6 3,-1.5 -2,-0.4 37,-0.2 -0.995 26.4-148.4-137.9 128.4 31.4 22.6 6.7 166 185 A L T 3 S+ 0 0 54 -2,-0.4 35,-3.7 1,-0.3 36,-0.2 0.731 99.3 63.7 -72.0 -16.3 30.9 20.1 4.0 167 186 A E T 3 S- 0 0 126 1,-0.2 -1,-0.3 33,-0.2 33,-0.3 0.612 101.9-139.8 -78.6 -12.9 34.6 20.0 3.4 168 187 A G < + 0 0 5 -3,-1.5 -1,-0.2 31,-0.3 31,-0.2 -0.420 67.2 106.2 83.5-170.4 35.3 18.7 6.9 169 188 A G S S+ 0 0 44 29,-2.6 2,-0.4 28,-0.1 30,-0.1 0.134 78.5 64.9 86.7 -24.3 38.1 19.8 9.3 170 188AA K + 0 0 67 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.986 66.1 114.7-138.5 122.1 35.8 21.8 11.6 171 189 A D B -A 2 0A 6 -169,-2.1 -169,-3.2 -2,-0.4 2,-0.1 -0.984 59.3 -94.5-171.5 159.4 33.0 20.3 13.8 172 190 A S - 0 0 9 -2,-0.3 26,-0.3 -171,-0.2 2,-0.2 -0.447 47.6-177.4 -77.4 171.9 31.7 19.5 17.2 173 191 A f > - 0 0 15 -2,-0.1 3,-2.3 24,-0.1 4,-0.4 -0.857 35.1 -37.0-156.5-176.6 32.5 16.0 18.6 174 192 A Q T 3 S+ 0 0 119 1,-0.3 -51,-2.7 -2,-0.2 -149,-0.1 -0.279 123.8 31.4 -57.5 131.4 32.1 13.5 21.4 175 193 A G T 3 S+ 0 0 4 -53,-0.3 -54,-0.6 -151,-0.2 -1,-0.3 0.165 103.6 78.8 100.5 -21.9 32.1 15.3 24.8 176 194 A D X + 0 0 0 -3,-2.3 3,-2.0 -56,-0.2 15,-0.3 0.583 66.9 127.3 -86.2 -15.6 30.5 18.4 23.2 177 195 A S T 3 + 0 0 16 -4,-0.4 -151,-3.0 1,-0.3 15,-0.2 -0.064 69.8 20.4 -48.3 134.5 27.1 16.6 23.3 178 196 A G T 3 S+ 0 0 0 13,-2.7 -1,-0.3 1,-0.3 -150,-0.1 0.233 99.0 126.6 89.3 -11.1 24.4 18.6 25.0 179 197 A G < - 0 0 0 -3,-2.0 12,-2.0 1,-0.1 -1,-0.3 -0.054 60.4 -76.5 -84.1 179.4 26.2 21.9 24.5 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.5 -0.434 22.2-171.6 -86.3 141.9 25.1 25.2 22.9 181 199 A V E -EH 118 189B 0 8,-1.8 7,-2.6 -63,-0.2 8,-2.1 -0.969 24.6-172.2-118.7 108.3 24.7 26.4 19.4 182 200 A V E +EH 117 187B 17 -65,-2.2 -65,-2.2 -2,-0.5 2,-0.4 -0.914 9.4 174.1-110.7 126.2 24.1 30.1 19.8 183 201 A d E > - H 0 186B 1 3,-2.5 3,-1.5 -2,-0.5 -67,-0.2 -1.000 69.2 -5.3-136.4 127.1 23.1 32.2 16.8 184 202 A S T 3 S- 0 0 103 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.839 129.6 -55.0 59.8 39.9 22.1 35.8 16.9 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.7 -79,-0.0 2,-0.3 0.501 118.2 103.3 77.2 6.5 22.2 35.9 20.7 186 204 A K E < S-cH 104 183B 66 -3,-1.5 -3,-2.5 -83,-0.1 2,-0.9 -0.890 80.3-111.2-125.3 147.3 19.8 33.0 21.0 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.3 3,-0.1 -0.680 47.0 160.1 -75.1 106.9 20.1 29.3 21.8 188 210 A Q E + 0 0 13 -7,-2.6 21,-1.5 -2,-0.9 22,-0.5 0.728 54.0 21.8-101.5 -22.9 19.3 27.7 18.4 189 211 A G E -IH 208 181B 0 -8,-2.1 -8,-1.8 19,-0.2 2,-0.4 -0.930 53.4-143.2-145.6 162.6 20.8 24.3 18.7 190 212 A I E -IH 207 180B 0 17,-0.9 17,-2.2 -2,-0.3 2,-0.2 -0.999 39.4-108.9-127.7 127.8 22.0 21.5 21.0 191 213 A V E +I 206 0B 6 -12,-2.0 -13,-2.7 -2,-0.4 15,-0.2 -0.389 57.5 152.9 -53.2 114.9 25.1 19.4 20.0 192 214 A S E - 0 0 6 13,-1.4 2,-0.3 1,-0.3 14,-0.2 0.772 44.1 -37.7-117.1 -67.5 23.4 16.1 19.1 193 215 A W E +I 205 0B 50 12,-2.0 12,-2.8 -16,-0.0 -1,-0.3 -0.907 42.2 167.0-156.8 177.5 25.1 13.7 16.7 194 216 A G - 0 0 29 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.932 48.0 -83.9 177.6 167.5 27.1 13.2 13.5 195 217 A S S S- 0 0 49 8,-0.3 4,-0.4 -2,-0.3 7,-0.1 -0.871 94.2 -46.8 -90.0 108.8 29.0 10.6 11.5 196 219 A G S S- 0 0 54 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.268 91.5 -72.3 61.2-152.1 32.4 10.7 13.1 197 220 A f S S- 0 0 15 -71,-0.4 -28,-0.1 1,-0.1 -24,-0.1 -1.000 100.4 -3.4-141.8 134.4 33.7 14.3 13.5 198 221 A A S S+ 0 0 9 -2,-0.4 -29,-2.6 -26,-0.3 2,-0.2 0.734 85.4 153.3 62.5 26.5 34.9 16.8 11.0 199 221AA Q B > -Q 202 0E 91 3,-0.5 3,-1.9 -4,-0.4 -31,-0.3 -0.604 55.0 -92.1 -84.8 147.8 34.6 14.3 8.1 200 222 A K T 3 S+ 0 0 127 1,-0.3 -33,-0.2 -33,-0.3 -34,-0.1 -0.325 109.2 3.4 -61.9 130.5 34.0 15.6 4.6 201 223 A N T 3 S+ 0 0 70 -35,-3.7 -1,-0.3 -36,-0.1 -35,-0.1 0.518 108.5 99.0 67.1 14.0 30.2 15.8 3.8 202 224 A K B < +Q 199 0E 62 -3,-1.9 -3,-0.5 -37,-0.2 -4,-0.2 -0.666 55.3 179.2-125.5 76.0 29.3 14.7 7.3 203 225 A P - 0 0 3 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.185 38.3 -80.7 -69.6 171.5 28.4 18.0 9.2 204 226 A G E -G 163 0B 0 -41,-1.4 -41,-2.3 -10,-0.1 2,-0.4 -0.443 39.8-144.1 -71.2 140.2 27.2 18.3 12.8 205 227 A V E -GI 162 193B 0 -12,-2.8 -12,-2.0 -43,-0.2 -13,-1.4 -0.925 20.5-167.3-110.5 134.8 23.5 17.6 13.4 206 228 A Y E -GI 161 191B 1 -45,-3.3 -45,-2.1 -2,-0.4 2,-0.2 -0.913 27.5-106.6-131.1 142.4 21.8 19.7 16.0 207 229 A T E -GI 160 190B 3 -17,-2.2 2,-1.3 -2,-0.3 -17,-0.9 -0.535 37.3-125.1 -65.9 132.1 18.5 19.6 18.0 208 230 A K E > - I 0 189B 50 -49,-2.7 3,-1.8 -2,-0.2 4,-0.2 -0.640 27.9-172.9 -85.8 90.7 16.3 22.4 16.6 209 231 A V G > S+ 0 0 0 -21,-1.5 3,-2.8 -2,-1.3 4,-0.4 0.809 73.7 69.9 -59.8 -34.0 15.6 24.3 19.8 210 232 A c G > S+ 0 0 21 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.748 93.2 59.8 -60.0 -20.9 13.0 26.7 18.3 211 233 A N G < S+ 0 0 72 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.608 107.7 45.9 -78.0 -9.9 10.6 23.8 18.0 212 234 A Y G <> S+ 0 0 7 -3,-2.8 4,-2.8 -4,-0.2 -1,-0.2 0.369 74.4 106.4-117.0 3.0 10.7 23.2 21.7 213 235 A V H <> S+ 0 0 22 -3,-0.5 4,-2.9 -4,-0.4 5,-0.2 0.863 83.6 47.8 -62.1 -36.9 10.3 26.7 23.2 214 236 A S H > S+ 0 0 93 -4,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.898 112.4 48.9 -66.9 -43.8 6.7 26.0 24.3 215 237 A W H > S+ 0 0 31 2,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.922 113.7 47.4 -63.5 -43.0 7.5 22.7 25.9 216 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.967 114.3 44.9 -62.7 -52.4 10.5 24.3 27.7 217 239 A K H X S+ 0 0 115 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.911 115.9 47.3 -60.7 -40.1 8.5 27.3 29.0 218 240 A Q H X S+ 0 0 121 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.876 111.9 50.2 -71.4 -36.7 5.5 25.2 30.0 219 241 A T H >< S+ 0 0 10 -4,-2.3 3,-0.9 -5,-0.2 4,-0.3 0.927 111.2 46.3 -69.7 -41.7 7.7 22.6 31.8 220 242 A I H >< S+ 0 0 33 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.844 106.4 61.2 -78.4 -16.3 9.7 25.1 33.8 221 243 A A H 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.709 114.2 33.9 -74.1 -23.0 6.5 26.9 34.8 222 244 A S T << 0 0 97 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.212 360.0 360.0-118.4 12.3 5.1 23.8 36.5 223 245 A N < 0 0 86 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.370 360.0 360.0-138.5 360.0 8.3 22.3 37.9