==== 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 PROTEINASE/INHIBITOR 17-DEC-92 1BRA . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR J.J.PERONA,M.E.MCGRATH,R.J.FLETTERICK . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 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 . 3 1.3 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.0 0.3 49.7 50.7 2 17 A V B +A 171 0A 9 169,-3.4 169,-2.3 1,-0.2 123,-0.1 -0.798 360.0 1.2 -93.3 134.7 -1.1 52.9 52.1 3 18 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.702 100.7 121.9 65.0 26.2 -2.8 55.3 49.6 4 19 A G - 0 0 26 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.045 58.6-112.6 -97.3-157.2 -2.3 53.0 46.6 5 20 A Y E -B 137 0B 107 132,-3.1 132,-4.2 -3,-0.1 2,-0.4 -0.934 34.1 -88.2-136.5 161.5 -5.0 51.5 44.3 6 21 A T E -B 136 0B 62 -2,-0.3 130,-0.3 130,-0.3 3,-0.1 -0.666 47.5-121.0 -69.7 118.5 -6.3 48.0 43.7 7 22 A a - 0 0 2 128,-2.0 2,-0.1 -2,-0.4 3,-0.1 -0.204 30.2-101.5 -60.8 150.1 -4.3 46.3 41.0 8 23 A Q > - 0 0 151 1,-0.1 3,-2.2 3,-0.1 4,-0.2 -0.526 63.9 -78.5 -65.4 140.9 -6.2 45.1 37.9 9 24 A E T 3 S- 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 44,-0.1 -0.225 110.1 -7.0 -52.3 126.8 -6.5 41.4 38.5 10 25 A N T 3 S+ 0 0 18 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.706 94.4 127.8 58.7 25.2 -3.4 39.4 37.7 11 26 A S S < S+ 0 0 65 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.509 70.4 51.0 -85.9 -7.3 -1.8 42.6 36.2 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-1.6 87,-0.1 -1,-0.3 -0.714 73.4 171.3-129.8 70.5 1.3 42.1 38.4 13 28 A P T 3 + 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.551 69.5 56.4 -64.0 -15.3 2.0 38.5 37.5 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.322 81.1 112.3 -95.8 -2.4 5.4 38.1 39.2 15 30 A Q E < -J 28 0C 4 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.661 46.2-175.9 -75.2 128.9 3.9 39.1 42.6 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.4 -2,-0.3 2,-0.5 -0.873 20.5-137.5-124.8 159.0 3.9 36.3 45.1 17 32 A S E -JK 26 49C 0 32,-2.3 32,-2.5 -2,-0.3 2,-0.6 -0.942 15.6-139.8-113.3 131.3 2.5 36.0 48.7 18 33 A L E -JK 25 48C 0 7,-2.9 6,-3.0 -2,-0.5 7,-1.2 -0.833 27.0-165.6 -92.8 120.5 4.7 34.3 51.3 19 34 A N E +JK 23 47C 17 28,-2.6 28,-3.4 -2,-0.6 4,-0.2 -0.935 32.6 165.7-123.1 132.1 2.4 32.2 53.5 20 37 A S S S- 0 0 40 2,-2.4 3,-0.1 -2,-0.4 -1,-0.1 -0.291 96.8 -49.7-128.6 40.2 3.0 30.5 56.8 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.160 140.5 31.8 100.8 -11.5 -0.7 29.9 57.7 22 39 A Y S S- 0 0 137 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.936 103.4 -84.0-165.8 160.8 -1.3 33.6 56.8 23 40 A H E +J 19 0C 22 -2,-0.3 -4,-0.3 -4,-0.2 3,-0.1 -0.550 52.6 157.1 -71.5 129.6 0.2 36.1 54.3 24 41 A F E + 0 0 32 -6,-3.0 151,-0.3 1,-0.5 2,-0.3 0.561 59.2 8.0-130.0 -17.8 3.4 37.6 56.0 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-2.9 151,-0.1 -1,-0.5 -0.949 62.0-126.8-156.3 163.8 5.6 38.9 53.1 26 43 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.436 25.6 178.4-104.9-173.7 5.6 39.5 49.4 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.4 -2,-0.2 2,-0.4 -0.950 24.0-114.3-165.4 176.9 8.2 38.2 46.8 28 45 A S E -JL 15 36C 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.6 -0.993 19.2-130.3-128.7 131.0 8.9 38.3 43.0 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.733 30.4 169.8 -79.1 118.3 9.0 35.3 40.6 30 47 A I E - 0 0 18 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.518 67.9 -4.3-110.2 -9.7 12.3 35.6 38.7 31 48 A N E > S- L 0 34C 47 3,-1.2 3,-1.2 70,-0.1 -1,-0.4 -0.883 89.6 -82.2-167.2 171.3 12.2 32.2 37.0 32 49 A D T 3 S+ 0 0 67 -2,-0.3 62,-2.1 1,-0.2 60,-0.1 0.495 128.0 29.6 -64.4 -3.5 10.0 29.2 37.1 33 50 A Q T 3 S+ 0 0 48 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.345 109.6 72.3-132.6 4.5 11.7 27.9 40.2 34 51 A W E < -LM 31 89C 11 -3,-1.2 -4,-2.6 55,-0.2 -3,-1.2 -0.992 45.4-173.3-137.6 140.0 12.9 30.9 42.1 35 52 A V E -LM 29 88C 0 53,-2.1 53,-3.0 -2,-0.4 2,-0.4 -0.918 14.8-148.6-120.1 138.5 11.5 33.8 44.1 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.1 -2,-0.3 51,-0.2 -0.887 32.7 150.0-109.8 135.1 13.5 36.8 45.4 37 54 A S E - M 0 86C 0 49,-2.7 49,-1.9 -2,-0.4 2,-0.4 -0.728 49.6 -68.2-144.0-165.8 12.2 38.3 48.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.2 -0.836 32.1-134.3 -99.3 143.9 13.6 40.1 51.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.6 1,-0.3 -1,-0.1 0.764 107.2 67.0 -64.0 -28.8 15.9 38.2 54.2 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.632 91.8 62.5 -69.0 -10.5 13.9 39.7 57.0 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.329 76.4 137.0 -88.4 1.4 11.0 37.5 55.7 42 59 A Y < + 0 0 96 -3,-2.6 2,-0.3 2,-0.0 -3,-0.1 -0.193 20.2 160.9 -53.0 140.8 13.0 34.4 56.5 43 60 A K - 0 0 56 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.947 46.7-120.5-150.3 149.1 11.0 31.5 58.1 44 61 A S S S+ 0 0 93 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.668 101.4 32.1 -70.3 -18.7 12.0 27.8 58.1 45 62 A R S S+ 0 0 212 2,-0.0 2,-0.3 -25,-0.0 -1,-0.2 -0.984 71.6 168.5-140.5 129.3 8.9 26.7 56.3 46 63 A I - 0 0 6 -2,-0.4 21,-3.1 21,-0.3 2,-0.6 -0.996 25.1-150.3-143.7 138.2 7.0 28.8 53.6 47 64 A Q E -KN 19 66C 49 -28,-3.4 -28,-2.6 -2,-0.3 2,-0.5 -0.946 21.6-145.1-106.8 127.3 4.3 28.1 51.2 48 66 A V E -KN 18 65C 0 17,-4.0 17,-3.0 -2,-0.6 2,-0.6 -0.854 10.6-159.8 -95.3 131.3 4.7 30.4 48.1 49 67 A R E -KN 17 64C 50 -32,-2.5 -32,-2.3 -2,-0.5 3,-0.3 -0.947 12.3-179.6-114.0 115.7 1.4 31.5 46.5 50 68 A L E + N 0 63C 2 13,-2.9 13,-2.1 -2,-0.6 -34,-0.1 -0.691 59.2 34.3-110.2 165.5 1.4 32.7 42.9 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.3 48,-0.4 2,-0.2 0.661 81.3 153.1 65.6 24.1 -1.4 33.9 40.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.534 21.9 153.8 -85.2 149.4 -3.2 35.6 43.6 53 71 A H S S+ 0 0 16 4,-0.3 82,-1.1 1,-0.2 2,-0.8 0.412 82.0 33.7-128.9 -71.2 -5.5 38.6 43.3 54 72 A N B > S-P 134 0D 24 3,-0.3 3,-1.3 80,-0.2 -1,-0.2 -0.832 71.6-161.1 -94.3 107.3 -7.8 38.1 46.4 55 73 A I T 3 S+ 0 0 18 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.613 90.7 47.1 -64.4 -20.8 -5.6 36.4 49.0 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.4 1,-0.0 -1,-0.3 0.475 106.5 63.8-100.3 -7.7 -8.7 35.3 50.9 57 75 A V S < S- 0 0 78 -3,-1.3 2,-0.8 76,-0.2 -4,-0.3 -0.951 76.1-130.2-124.3 137.1 -10.6 33.8 47.9 58 76 A L + 0 0 136 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.772 32.8 172.4 -78.0 109.3 -9.8 30.9 45.6 59 77 A E - 0 0 53 -2,-0.8 -1,-0.2 -5,-0.1 -7,-0.0 0.544 51.7-103.2-101.8 -12.0 -10.3 32.6 42.2 60 78 A G S S+ 0 0 64 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.363 104.0 79.3 106.2 -1.5 -9.0 29.8 40.1 61 79 A N + 0 0 39 -10,-0.3 2,-0.1 38,-0.1 -9,-0.1 0.314 62.3 124.4-116.8 1.4 -5.5 31.0 39.0 62 80 A E - 0 0 35 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.349 37.9-170.8 -67.4 144.3 -3.6 30.2 42.2 63 81 A Q E -N 50 0C 40 -13,-2.1 -13,-2.9 -2,-0.1 2,-0.5 -0.995 9.3-164.2-124.0 122.2 -0.5 28.0 42.2 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.989 15.5 168.8-113.1 121.8 0.6 27.1 45.8 65 83 A V E -N 48 0C 15 -17,-3.0 -17,-4.0 -2,-0.5 2,-0.1 -0.997 30.9-122.3-133.0 135.0 4.1 25.6 46.1 66 84 A N E -N 47 0C 92 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.417 31.3-111.5 -74.0 148.8 6.3 24.9 49.2 67 85 A A E -O 90 0C 19 -21,-3.1 23,-0.3 23,-0.2 -21,-0.3 -0.640 30.9-175.4 -73.8 130.1 9.7 26.6 49.4 68 86 A A E S+ 0 0 61 21,-3.7 2,-0.4 1,-0.4 22,-0.2 0.830 72.6 19.6 -89.9 -57.1 12.4 23.9 49.1 69 87 A K E -O 89 0C 85 20,-1.5 20,-3.6 2,-0.0 2,-0.5 -0.983 65.0-167.4-118.6 129.7 15.6 26.0 49.7 70 88 A I E -O 88 0C 32 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.984 11.3-173.0-119.5 110.4 15.4 29.4 51.5 71 89 A I E -O 87 0C 40 16,-3.7 16,-3.2 -2,-0.5 2,-0.2 -0.940 8.7-162.7-118.2 109.3 18.7 31.3 51.2 72 90 A K E -O 86 0C 89 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.476 42.2 -92.3 -78.4 148.9 19.3 34.5 53.0 73 91 A H > - 0 0 19 12,-2.1 3,-2.4 10,-0.4 -1,-0.1 -0.432 35.4-124.8 -62.1 133.6 22.2 36.7 51.7 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 109.2 47.6 -58.6 -26.7 25.3 35.7 53.7 75 93 A N T 3 S+ 0 0 110 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.114 76.0 141.1-101.4 20.7 25.9 39.3 54.8 76 94 A F < - 0 0 46 -3,-2.4 2,-0.7 9,-0.1 7,-0.2 -0.388 38.4-156.8 -60.9 131.9 22.3 40.0 55.8 77 95 A D B >> -Q 82 0E 66 5,-2.3 4,-3.1 -2,-0.2 5,-0.5 -0.916 6.8-161.9-113.6 104.2 22.5 42.2 59.0 78 96 A R T 45S+ 0 0 202 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.610 89.3 53.5 -60.9 -16.3 19.3 41.7 61.0 79 97 A K T 45S+ 0 0 167 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.878 122.2 21.7 -89.6 -47.5 20.2 44.9 62.8 80 98 A T T 45S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.578 95.7-128.7 -95.1 -16.8 20.8 47.4 60.0 81 99 A L T ><5 + 0 0 29 -4,-3.1 3,-0.8 1,-0.3 2,-0.2 0.695 53.1 158.1 70.7 21.2 18.8 45.5 57.4 82 100 A N B 3 < +Q 77 0E 34 -5,-0.5 -5,-2.3 1,-0.3 -1,-0.3 -0.535 65.2 17.7 -72.6 138.5 21.8 45.8 55.2 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.4 0.894 79.2 174.9 61.9 43.2 21.8 43.1 52.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.1 123,-0.2 -0.529 33.4 117.3 -82.1 78.0 18.0 42.4 53.0 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.2 2,-0.3 -0.993 36.1 177.0-145.4 139.0 17.7 39.9 50.2 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.7 -2,-0.3 2,-0.4 -0.971 17.6-142.7-144.4 149.8 16.8 36.2 50.2 87 105 A L E -MO 36 71C 0 -16,-3.2 -16,-3.7 -2,-0.3 2,-0.5 -0.927 9.0-160.9-117.8 138.5 16.3 33.6 47.5 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.1 -2,-0.4 2,-0.6 -0.988 5.1-155.6-118.6 121.4 13.6 30.9 47.6 89 107 A K E -MO 34 69C 44 -20,-3.6 -21,-3.7 -2,-0.5 -20,-1.5 -0.870 24.9-128.5 -95.5 126.5 13.9 27.8 45.5 90 108 A L E - O 0 67C 0 -57,-2.9 -23,-0.2 -2,-0.6 -24,-0.1 -0.501 13.7-122.1 -75.4 144.2 10.5 26.2 44.9 91 109 A S S S+ 0 0 65 -25,-2.9 -1,-0.1 -2,-0.2 -24,-0.1 0.761 97.7 6.0 -58.1 -25.8 10.0 22.6 45.6 92 110 A S S S- 0 0 55 -26,-0.3 -1,-0.2 -60,-0.1 -24,-0.0 -0.984 89.1 -90.0-158.5 155.2 8.9 22.5 41.9 93 111 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 -60,-0.2 -0.296 41.9-133.7 -63.1 145.1 8.7 24.6 38.9 94 112 A V - 0 0 11 -62,-2.1 2,-0.8 -63,-0.1 -62,-0.0 -0.615 23.0-102.2 -97.5 163.9 5.4 26.5 38.4 95 113 A K - 0 0 164 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.803 35.5-142.0 -87.6 114.3 3.4 26.8 35.2 96 114 A L + 0 0 87 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.588 42.0 134.8 -77.0 134.6 4.2 30.2 33.6 97 115 A N - 0 0 76 3,-3.2 -1,-0.0 -2,-0.3 0, 0.0 -0.688 69.1 -57.5-153.0-155.7 1.1 31.7 32.1 98 116 A A S S+ 0 0 77 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.865 134.5 33.1 -68.1 -41.5 -0.8 35.0 31.8 99 117 A R S S+ 0 0 86 1,-0.2 2,-0.5 -87,-0.1 -48,-0.4 0.524 118.9 54.1 -94.8 -10.2 -1.3 35.4 35.6 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-3.2 -49,-0.1 2,-0.3 -0.947 75.0 144.1-129.5 103.5 1.9 33.7 36.7 101 119 A A - 0 0 28 -88,-1.6 -72,-0.3 -2,-0.5 2,-0.1 -0.949 43.5-112.0-141.3 158.4 4.9 35.3 35.0 102 120 A T - 0 0 68 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.487 20.3-139.2 -87.6 156.9 8.5 36.3 35.8 103 121 A V - 0 0 8 -74,-2.0 83,-0.1 -89,-0.2 -75,-0.0 -0.971 27.5-110.7-119.8 137.0 10.0 39.8 36.2 104 122 A A B -c 186 0B 51 81,-0.7 83,-2.8 -2,-0.4 3,-0.1 -0.318 23.8-116.4 -64.5 145.1 13.5 40.6 34.7 105 123 A L - 0 0 38 81,-0.2 2,-0.2 -75,-0.1 83,-0.1 -0.387 48.8 -89.5 -74.9 156.3 16.6 41.3 36.8 106 124 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.506 23.3-157.5 -73.2 140.8 17.9 44.9 36.3 107 125 A S S S- 0 0 106 1,-0.3 2,-0.3 -2,-0.2 -2,-0.0 0.635 80.6 -4.1 -88.8 -17.4 20.3 45.6 33.6 108 127 A S S S- 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.953 87.5 -78.4-163.4 166.0 21.4 48.8 35.5 109 128 A c - 0 0 60 -2,-0.3 79,-0.1 -3,-0.1 99,-0.0 -0.621 53.6-120.8 -73.1 125.7 20.7 50.9 38.6 110 129 A A - 0 0 21 -2,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.334 27.3-116.0 -66.8 144.1 17.7 53.1 37.9 111 130 A P > - 0 0 90 0, 0.0 3,-1.8 0, 0.0 31,-0.3 -0.428 35.3 -90.8 -77.3 156.5 18.2 56.8 38.1 112 132 A A T 3 S+ 0 0 54 1,-0.3 31,-0.2 -2,-0.1 3,-0.1 -0.308 114.8 41.2 -61.8 145.3 16.5 59.0 40.7 113 133 A G T 3 S+ 0 0 56 29,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.312 80.3 132.2 93.3 -8.2 13.2 60.3 39.3 114 134 A T < - 0 0 22 -3,-1.8 28,-2.3 1,-0.1 2,-0.4 -0.477 57.7-125.8 -71.5 144.3 12.2 57.0 37.6 115 135 A Q E -D 141 0B 103 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.765 34.0-176.0 -89.8 123.8 8.6 56.0 38.2 116 136 A d E -D 140 0B 3 24,-3.4 24,-2.3 -2,-0.4 2,-0.5 -0.798 24.0-122.0-123.1 167.0 8.3 52.4 39.7 117 137 A L E -DE 139 182B 35 65,-3.2 65,-2.7 -2,-0.3 2,-0.4 -0.977 23.3-171.2-113.7 126.7 5.4 50.1 40.6 118 138 A I E +DE 138 181B 1 20,-2.4 20,-2.1 -2,-0.5 2,-0.3 -0.920 10.1 178.8-117.4 136.9 5.2 48.8 44.2 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.970 10.6 127.2-141.9 156.0 2.7 46.1 45.1 120 140 A G E -D 136 0B 0 16,-1.7 16,-2.0 -2,-0.3 56,-0.2 -0.932 57.7-113.5 171.2 169.3 1.6 44.1 48.1 121 141 A W S S+ 0 0 3 54,-0.5 55,-0.2 -2,-0.3 3,-0.1 0.024 72.5 133.4-105.2 20.3 -1.0 42.8 50.5 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.044 69.1 -59.5 -67.2 168.4 0.6 44.9 53.3 123 143 A N - 0 0 11 51,-3.6 8,-0.2 8,-0.1 -1,-0.2 -0.162 41.8-155.9 -47.1 134.3 -1.2 47.1 55.8 124 144 A T + 0 0 29 6,-3.1 -121,-0.6 -3,-0.1 2,-0.3 0.414 60.7 88.0-100.3 4.4 -3.2 49.9 54.1 125 145 A L - 0 0 73 3,-0.2 3,-0.1 5,-0.2 5,-0.1 -0.784 63.3-147.3-109.5 149.0 -3.3 52.4 57.0 126 146 A S S S+ 0 0 59 -2,-0.3 71,-0.5 1,-0.3 2,-0.3 0.687 99.3 20.7 -74.3 -20.5 -1.0 55.3 58.1 127 147 A S S S+ 0 0 106 69,-0.1 -1,-0.3 71,-0.0 2,-0.1 -0.952 123.8 9.6-149.7 128.4 -2.1 54.5 61.8 128 148 A G S S- 0 0 53 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.2 -0.297 93.0 -78.0 87.9-177.6 -3.6 51.2 63.0 129 149 A V + 0 0 109 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.1 -0.991 40.4 171.4-131.6 136.1 -3.7 48.1 60.8 130 150 A N - 0 0 76 -2,-0.4 -6,-3.1 -5,-0.1 -5,-0.2 -0.900 18.3-155.7-145.2 112.6 -6.0 47.1 57.9 131 151 A E - 0 0 128 -2,-0.3 2,-0.1 -8,-0.2 -8,-0.1 -0.813 17.2-141.0 -91.8 121.4 -5.0 44.0 55.9 132 152 A P - 0 0 14 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.459 11.3-149.5 -81.6 155.7 -6.4 44.1 52.4 133 153 A D S S+ 0 0 77 -2,-0.1 -78,-2.5 -79,-0.1 2,-0.3 0.860 81.4 60.4 -85.6 -43.9 -7.9 41.1 50.5 134 154 A L B S-P 54 0D 60 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.744 96.9 -96.8 -96.4 149.2 -6.9 42.4 47.0 135 155 A L - 0 0 4 -82,-1.1 -128,-2.0 -2,-0.3 2,-0.3 -0.299 40.9-146.2 -59.7 132.3 -3.5 43.2 45.7 136 156 A Q E -BD 6 120B 25 -16,-2.0 -16,-1.7 -130,-0.3 2,-0.3 -0.773 10.1-157.5-103.9 146.6 -2.7 47.0 46.1 137 157 A a E -BD 5 119B 2 -132,-4.2 -132,-3.1 -2,-0.3 2,-0.3 -0.899 8.2-172.8-128.0 150.4 -0.6 49.0 43.7 138 158 A L E - D 0 118B 3 -20,-2.1 -20,-2.4 -2,-0.3 2,-0.5 -0.942 15.3-150.7-149.4 124.0 1.4 52.2 44.0 139 159 A D E + D 0 117B 73 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.801 37.0 156.5 -92.0 127.2 3.2 54.3 41.4 140 160 A A E - D 0 116B 0 -24,-2.3 -24,-3.4 -2,-0.5 2,-0.3 -0.999 34.5-115.9-155.9 150.4 6.1 56.1 43.1 141 161 A P E - D 0 115B 27 0, 0.0 23,-2.5 0, 0.0 2,-0.3 -0.627 23.8-113.4 -96.3 154.3 9.4 57.7 42.2 142 162 A L B -F 163 0B 13 -28,-2.3 -29,-3.1 -2,-0.3 21,-0.2 -0.623 37.1-140.7 -79.6 126.9 12.9 56.8 43.0 143 163 A L - 0 0 18 19,-2.5 19,-0.4 -2,-0.3 2,-0.1 -0.669 22.2 -95.1 -97.0 154.7 14.4 59.6 45.2 144 164 A P >> - 0 0 59 0, 0.0 4,-1.8 0, 0.0 3,-1.4 -0.352 35.4-117.8 -64.6 144.3 17.9 61.0 45.0 145 165 A Q H 3> S+ 0 0 55 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.810 112.0 63.3 -50.5 -40.2 20.3 59.4 47.5 146 166 A A H 3> S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.816 104.3 45.9 -63.0 -34.9 20.8 62.7 49.3 147 167 A D H <> S+ 0 0 66 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.782 111.6 54.8 -73.4 -30.6 17.1 62.8 50.3 148 168 A e H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 3,-0.4 0.984 111.5 42.0 -60.9 -57.9 17.4 59.2 51.3 149 169 A E H < S+ 0 0 102 -4,-3.1 3,-0.4 1,-0.2 6,-0.2 0.914 110.5 56.2 -55.5 -46.0 20.3 59.9 53.6 150 170 A A H < S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 107.5 51.3 -58.5 -33.9 18.8 63.1 55.0 151 171 A S H < S+ 0 0 28 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.864 122.4 27.0 -74.3 -38.5 15.8 61.2 56.0 152 172 A Y S >X S- 0 0 8 -4,-1.5 3,-2.5 -3,-0.4 4,-0.6 -0.735 84.7-153.7-133.3 74.8 17.6 58.4 57.9 153 173 A P T 34 S+ 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.351 79.6 1.1 -51.2 121.3 20.8 59.9 59.1 154 174 A G T 34 S+ 0 0 87 2,-0.1 -5,-0.1 -2,-0.1 -4,-0.1 0.420 114.8 85.7 76.1 8.7 23.4 57.1 59.5 155 175 A K T <4 + 0 0 93 -3,-2.5 2,-0.5 -6,-0.2 -6,-0.1 0.596 60.5 89.3-116.1 -9.1 21.1 54.3 58.3 156 176 A I < - 0 0 23 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.827 50.9-171.6 -93.7 129.2 21.3 54.1 54.5 157 177 A T > - 0 0 38 -2,-0.5 3,-1.4 4,-0.0 -2,-0.1 -0.493 44.4-100.0-104.6 177.6 24.0 51.9 52.9 158 178 A D T 3 S+ 0 0 103 1,-0.3 -2,-0.0 -2,-0.2 53,-0.0 0.441 121.2 69.1 -76.8 2.6 24.7 51.9 49.2 159 179 A N T 3 S+ 0 0 26 48,-0.0 49,-3.4 51,-0.0 2,-0.4 0.150 94.6 72.5 -99.4 11.6 22.6 48.6 49.1 160 180 A M E < - G 0 207B 4 -3,-1.4 2,-0.3 47,-0.3 47,-0.2 -0.967 56.9-174.2-125.2 143.9 19.5 50.7 49.9 161 181 A V E - G 0 206B 11 45,-2.1 45,-3.0 -2,-0.4 2,-0.4 -0.973 22.5-127.4-136.3 145.3 17.4 53.2 47.9 162 182 A e E - G 0 205B 0 -19,-0.4 -19,-2.5 -2,-0.3 2,-0.4 -0.788 24.9-178.5 -95.0 140.6 14.5 55.4 48.9 163 183 A V E +FG 142 204B 0 41,-2.3 41,-1.5 -2,-0.4 2,-0.3 -0.994 38.1 45.7-135.7 134.9 11.2 55.3 47.0 164 184 A G S S- 0 0 5 -23,-2.5 2,-0.5 -2,-0.4 7,-0.1 -0.923 81.5 -41.2 142.2-161.1 8.2 57.4 47.8 165 184AA F > - 0 0 40 5,-0.5 3,-1.7 -2,-0.3 37,-0.3 -0.973 26.6-154.7-117.4 113.3 6.8 60.7 48.6 166 185 A L T 3 S+ 0 0 51 -2,-0.5 35,-3.2 1,-0.3 36,-0.2 0.734 95.6 61.5 -59.1 -26.2 8.4 63.1 51.1 167 186 A E T 3 S- 0 0 133 33,-0.2 -1,-0.3 1,-0.2 2,-0.0 0.595 102.6-135.0 -77.1 -10.7 5.0 64.7 51.8 168 187 A G < + 0 0 14 -3,-1.7 31,-0.2 31,-0.4 -1,-0.2 -0.185 68.3 105.1 86.0 178.1 3.4 61.5 53.1 169 188 A G S S+ 0 0 47 29,-3.0 2,-0.3 28,-0.1 30,-0.1 -0.016 79.9 61.9 94.7 -22.5 0.1 59.8 52.5 170 188AA K + 0 0 94 -5,-0.2 -5,-0.5 29,-0.1 2,-0.3 -0.986 64.6 103.6-131.7 142.9 1.3 57.0 50.3 171 189 A G B -A 2 0A 1 -169,-2.3 -169,-3.4 -2,-0.3 2,-0.2 -0.945 60.9 -71.1 168.9 177.3 3.7 54.1 51.0 172 190 A S + 0 0 8 -2,-0.3 26,-0.4 -171,-0.2 2,-0.2 -0.515 47.9 179.0 -93.3 154.7 4.6 50.5 51.7 173 191 A f > - 0 0 8 -2,-0.2 3,-2.8 24,-0.1 4,-0.5 -0.832 41.4 -41.6-141.6-178.8 3.8 49.1 55.2 174 192 A Q T 3 S+ 0 0 130 1,-0.3 -51,-3.6 -2,-0.2 -149,-0.1 -0.264 125.9 32.2 -54.3 134.3 4.0 45.9 57.2 175 193 A G T 3 S+ 0 0 15 -151,-0.3 -54,-0.5 -53,-0.3 -1,-0.3 0.130 101.2 81.6 95.9 -18.0 3.1 42.9 55.1 176 194 A D X + 0 0 1 -3,-2.8 3,-2.3 -56,-0.2 15,-0.3 0.579 65.6 125.5 -88.4 -18.0 4.5 44.5 51.9 177 195 A S T 3 S+ 0 0 17 -4,-0.5 -151,-3.2 1,-0.3 15,-0.2 -0.065 70.1 19.0 -43.3 132.9 8.0 43.4 52.9 178 196 A G T 3 S+ 0 0 0 13,-2.4 -1,-0.3 1,-0.3 -150,-0.2 0.247 98.7 127.2 85.4 -6.8 10.0 41.4 50.4 179 197 A G < - 0 0 0 -3,-2.3 12,-2.6 1,-0.1 -1,-0.3 -0.098 60.6 -80.0 -75.6 173.9 7.7 42.6 47.6 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.5 -0.429 20.5-165.8 -84.2 152.2 8.7 44.2 44.3 181 199 A V E -EH 118 189B 2 8,-1.6 7,-2.8 -63,-0.2 8,-1.9 -0.975 26.1-173.6-128.1 108.3 9.7 47.6 43.2 182 200 A V E -EH 117 187B 14 -65,-2.7 -65,-3.2 -2,-0.5 2,-0.4 -0.935 10.7-179.4-114.7 131.0 9.5 47.4 39.4 183 201 A d E > S- H 0 186B 3 3,-2.8 3,-2.1 -2,-0.4 -67,-0.2 -0.999 73.5 -15.3-129.4 121.9 10.7 50.2 37.1 184 202 A N T 3 S- 0 0 148 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.878 130.2 -51.1 50.6 46.0 10.4 50.0 33.3 185 203 A G T 3 S+ 0 0 50 1,-0.2 -81,-0.7 -3,-0.0 2,-0.4 0.543 116.7 104.7 68.4 17.1 9.8 46.3 33.6 186 204 A E E < S-cH 104 183B 40 -3,-2.1 -3,-2.8 -83,-0.1 2,-0.7 -0.978 76.1-111.6-128.9 149.5 12.8 45.4 35.7 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.3 -2,-0.4 3,-0.1 -0.586 42.4 164.1 -71.1 108.0 13.0 44.5 39.4 188 210 A Q E + 0 0 10 -7,-2.8 21,-1.3 -2,-0.7 22,-0.6 0.724 57.8 11.2-100.0 -23.7 14.9 47.5 41.0 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.6 19,-0.2 2,-0.4 -0.944 54.7-135.1-151.1 167.0 14.2 47.0 44.7 190 212 A I E -IH 207 180B 1 17,-1.1 17,-2.6 -2,-0.3 2,-0.1 -0.997 43.1-107.0-120.0 127.3 12.8 44.7 47.4 191 213 A V E +I 206 0B 5 -12,-2.6 -13,-2.4 -2,-0.4 15,-0.2 -0.390 55.6 155.0 -57.2 123.0 10.5 46.3 50.0 192 214 A S E - 0 0 5 13,-2.0 2,-0.3 1,-0.3 14,-0.2 0.793 44.1 -39.7-121.6 -63.0 12.6 46.6 53.2 193 215 A W E +I 205 0B 52 12,-1.5 12,-2.9 -19,-0.0 -1,-0.3 -0.957 40.6 168.7-164.1 169.7 11.9 49.2 55.9 194 216 A G - 0 0 24 -2,-0.3 2,-0.5 10,-0.2 10,-0.1 -0.876 46.0 -90.1-168.9-176.7 10.8 52.8 56.7 195 217 A Y S S- 0 0 154 8,-0.4 4,-0.3 -2,-0.3 -2,-0.0 -0.972 91.3 -25.8-114.2 122.7 9.8 54.7 59.9 196 219 A G S S- 0 0 41 -2,-0.5 2,-0.4 1,-0.1 -69,-0.1 -0.249 93.1 -81.0 68.5-161.3 6.0 54.6 60.4 197 220 A f S S- 0 0 9 -71,-0.5 -24,-0.1 -24,-0.1 -28,-0.1 -0.976 98.2 -8.3-142.8 121.8 3.9 54.1 57.2 198 221 A A S S+ 0 0 9 -26,-0.4 -29,-3.0 -2,-0.4 -72,-0.1 0.744 90.2 151.2 66.8 25.7 3.0 56.9 54.8 199 221AA L > - 0 0 57 3,-0.4 3,-1.8 -4,-0.3 -31,-0.4 -0.711 53.0 -99.5 -92.5 146.0 4.4 59.7 57.1 200 222 A P T 3 S+ 0 0 70 0, 0.0 -33,-0.2 0, 0.0 -34,-0.1 -0.257 106.0 13.2 -57.9 142.4 5.8 62.9 55.9 201 223 A D T 3 S+ 0 0 108 -35,-3.2 -35,-0.1 -36,-0.1 -34,-0.1 0.512 105.4 95.5 67.7 9.0 9.6 63.0 55.7 202 224 A N < - 0 0 35 -3,-1.8 -3,-0.4 -37,-0.3 -4,-0.2 -0.694 56.3-174.0-132.5 79.1 9.9 59.3 56.1 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 2,-0.2 -0.068 30.7 -96.5 -66.0 166.4 10.3 57.6 52.7 204 226 A D E -G 163 0B 11 -41,-1.5 -41,-2.3 -10,-0.1 2,-0.4 -0.594 32.7-140.0 -83.9 148.0 10.4 53.8 52.2 205 227 A V E -GI 162 193B 0 -12,-2.9 -13,-2.0 -2,-0.2 -12,-1.5 -0.899 17.8-170.9-113.8 137.3 13.7 52.0 51.9 206 228 A Y E -GI 161 191B 0 -45,-3.0 -45,-2.1 -2,-0.4 2,-0.4 -0.922 31.2-107.3-126.5 151.3 14.3 49.2 49.4 207 229 A T E -GI 160 190B 2 -17,-2.6 2,-1.2 -2,-0.3 -17,-1.1 -0.721 40.6-121.1 -74.8 128.8 17.1 46.8 48.9 208 230 A K E > - I 0 189B 51 -49,-3.4 3,-2.0 -2,-0.4 -19,-0.2 -0.627 26.8-169.3 -76.0 98.4 18.9 47.9 45.8 209 231 A V G > S+ 0 0 0 -21,-1.3 3,-2.8 -2,-1.2 4,-0.4 0.797 78.0 73.0 -56.3 -36.3 18.6 44.8 43.5 210 232 A c G 3 S+ 0 0 22 -22,-0.6 3,-0.4 1,-0.3 -1,-0.3 0.730 93.3 59.2 -57.0 -17.9 21.1 46.2 40.9 211 233 A N G < S+ 0 0 63 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.486 107.2 44.2 -85.0 -9.5 23.8 45.4 43.6 212 234 A Y S <> S+ 0 0 7 -3,-2.8 4,-3.3 -4,-0.2 -1,-0.2 0.320 70.5 109.7-120.4 8.5 23.0 41.7 43.8 213 235 A V H > S+ 0 0 26 -3,-0.4 4,-3.4 -4,-0.4 5,-0.2 0.879 86.2 46.9 -50.5 -47.3 22.6 40.4 40.2 214 236 A D H > S+ 0 0 118 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.951 113.6 48.2 -55.3 -52.4 25.8 38.5 40.4 215 237 A W H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.906 111.9 50.3 -55.5 -49.4 24.9 37.1 43.7 216 238 A I H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.942 113.1 45.4 -55.7 -56.1 21.5 36.1 42.4 217 239 A Q H X S+ 0 0 103 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.891 113.6 47.3 -54.2 -49.6 22.9 34.4 39.3 218 240 A D H X S+ 0 0 108 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.920 112.2 50.8 -59.0 -49.3 25.6 32.4 41.1 219 241 A T H < S+ 0 0 15 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.889 111.1 46.9 -57.1 -48.7 23.2 31.3 43.8 220 242 A I H >< S+ 0 0 37 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.870 115.1 47.6 -60.6 -43.4 20.7 30.1 41.4 221 243 A A H 3< S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 113.1 46.4 -64.2 -44.4 23.4 28.3 39.4 222 244 A A T 3< 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.393 360.0 360.0 -76.0 -6.2 25.0 26.7 42.4 223 245 A N < 0 0 69 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.360 360.0 360.0-128.7 360.0 21.6 25.5 43.8