==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2G . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 70 31.4 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 . 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 3 2 1 6 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.0 51.6 14.5 49.2 2 17 A V B +A 171 0A 8 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.906 360.0 7.5-110.3 135.4 53.9 14.5 52.2 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.675 102.3 120.9 69.1 24.5 55.7 11.2 53.3 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.199 55.2-121.4-101.5-166.2 54.4 9.4 50.2 5 20 A Y E -B 137 0B 92 132,-2.2 132,-3.1 -2,-0.1 2,-0.5 -0.859 33.9 -81.2-134.4 169.1 56.4 7.6 47.4 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.612 37.0-152.6 -74.5 122.2 56.7 7.9 43.6 7 22 A a - 0 0 20 128,-1.9 -1,-0.2 -2,-0.5 2,-0.1 0.900 37.4-112.5 -60.3 -48.1 53.7 6.0 42.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.057 48.5 -55.0 116.5 143.9 55.4 5.0 39.0 9 24 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.251 119.2 -11.7 -54.3 121.3 54.5 6.3 35.6 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.816 89.5 128.8 58.2 36.1 50.8 5.8 34.8 11 26 A T S < S+ 0 0 79 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.514 76.3 48.7 -92.9 -5.6 50.1 3.4 37.7 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.693 74.2 174.1-127.7 73.1 47.1 5.6 38.7 13 28 A P T 3 S+ 0 0 35 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.624 71.6 58.8 -67.6 -14.3 45.5 5.8 35.2 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.396 81.7 112.6 -92.2 0.2 42.3 7.7 36.4 15 30 A Q E < -J 28 0C 5 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.599 47.2-170.2 -81.8 132.4 44.4 10.6 37.8 16 31 A V E -JK 27 50C 0 11,-2.4 11,-1.3 -2,-0.3 2,-0.5 -0.868 16.7-145.5-122.5 155.4 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.981 15.6-145.1-120.2 127.7 46.0 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-1.0 -0.849 22.3-170.0 -99.6 126.3 43.9 20.4 36.0 19 34 A N E +JK 23 47C 24 28,-2.9 28,-2.1 -2,-0.5 4,-0.2 -0.970 30.6 170.9-123.1 129.2 46.0 23.1 34.3 20 37 A S S S- 0 0 34 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.359 98.8 -44.7-128.5 47.8 45.2 26.8 33.7 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.326 141.3 26.1 106.7 -5.6 48.8 27.4 32.4 22 39 A Y S S- 0 0 133 -4,-0.1 -2,-2.1 0, 0.0 2,-0.3 -0.888 103.2 -80.4-172.4 160.9 50.3 25.4 35.3 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.565 51.4 158.4 -74.9 132.4 49.0 22.5 37.4 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.571 60.3 7.1-130.7 -20.1 46.8 23.7 40.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.974 61.8-125.3-157.6 165.8 44.6 20.7 41.2 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.444 26.5 178.1-104.9 178.3 44.1 17.0 40.6 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.952 24.0-114.8-168.5 175.7 40.9 15.2 39.6 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.3 -2,-0.3 2,-0.5 -0.991 19.0-130.5-129.9 136.2 39.6 11.8 38.7 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.5 -2,-0.4 6,-0.2 -0.731 25.1 176.0 -83.9 124.2 38.3 10.5 35.4 30 47 A I E S- 0 0 21 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.585 70.0 -14.3-105.0 -13.9 34.8 8.7 35.9 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-1.3 70,-0.1 -1,-0.4 -0.916 90.1 -76.1-173.1 164.6 34.0 8.0 32.2 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.650 128.4 34.1 -46.7 -24.2 35.5 9.2 28.8 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.517 109.7 63.2-114.7 -6.3 33.7 12.6 29.0 34 51 A W E < -LM 31 89C 5 -3,-1.3 -4,-2.3 55,-0.2 -3,-1.1 -0.960 47.2-173.0-131.9 147.0 33.6 13.5 32.8 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.948 13.4-149.6-127.2 143.9 36.0 14.4 35.6 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.2 -0.938 31.2 149.2-114.7 138.0 35.2 14.9 39.4 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.747 50.2 -68.8-146.7-165.2 37.4 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.743 30.1-131.0-100.0 146.7 36.8 19.6 44.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.803 107.1 64.9 -64.3 -28.3 34.7 22.8 44.1 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.564 94.5 61.9 -74.9 -1.4 37.5 24.8 45.8 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.320 77.7 136.3 -99.3 2.7 39.5 24.0 42.6 42 59 A Y < + 0 0 131 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.318 19.7 146.8 -59.4 135.0 37.0 25.9 40.6 43 60 A K - 0 0 58 -2,-0.0 2,-0.3 0, 0.0 3,-0.3 -0.926 47.0-114.1-157.1 164.8 38.4 28.3 37.9 44 61 A S S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.814 95.6 38.8-103.8 146.2 37.4 29.5 34.5 45 62 A G S S+ 0 0 63 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.895 75.5 170.1 83.8 39.0 39.7 28.3 31.6 46 63 A I - 0 0 11 -3,-0.3 21,-1.9 -26,-0.1 2,-0.5 -0.663 20.8-166.6 -92.9 138.9 40.6 24.8 32.7 47 64 A Q E -KN 19 66C 51 -28,-2.1 -28,-2.9 -2,-0.3 2,-0.4 -0.977 17.6-142.7-118.8 132.5 42.5 22.2 30.5 48 65 A V E -KN 18 65C 0 17,-3.3 17,-3.2 -2,-0.5 2,-0.5 -0.837 10.6-156.9 -98.3 132.6 42.4 18.6 31.8 49 66 A R E -KN 17 64C 49 -32,-2.7 -32,-2.0 -2,-0.4 3,-0.3 -0.975 11.3-174.6-121.2 116.4 45.5 16.6 31.3 50 67 A L E +KN 16 63C 4 13,-2.9 13,-1.8 -2,-0.5 -34,-0.1 -0.666 62.9 32.1-103.8 153.4 45.2 12.7 31.3 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.698 83.5 152.6 73.0 22.8 48.1 10.2 31.1 52 70 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.520 21.2 148.5 -87.6 152.1 50.4 12.3 33.0 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 82,-0.3 0.262 81.9 31.7-140.4 -74.7 53.3 11.3 35.2 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.8 3,-0.2 -1,-0.4 -0.802 72.4-163.8 -89.3 117.5 55.9 14.1 34.9 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.472 85.9 54.3 -82.0 0.9 53.8 17.2 34.3 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.406 105.3 57.9-108.7 -5.0 56.7 19.2 33.1 57 75 A V S < S- 0 0 71 -3,-0.8 2,-1.1 76,-0.2 -4,-0.3 -0.989 76.7-132.6-129.2 135.9 57.7 16.7 30.3 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.746 32.1 174.6 -86.2 102.7 55.7 15.4 27.4 59 77 A E - 0 0 94 -2,-1.1 -1,-0.2 -5,-0.3 -4,-0.0 0.402 52.0 -98.3 -91.3 1.6 56.5 11.7 27.8 60 78 A G S S+ 0 0 59 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.191 104.7 79.2 104.8 -20.2 54.2 10.4 25.1 61 79 A N + 0 0 59 -10,-0.3 2,-0.2 38,-0.0 -9,-0.0 0.307 65.6 117.4-110.4 18.5 51.0 9.2 27.0 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.476 40.9-168.7 -88.7 155.9 49.2 12.5 27.6 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-2.9 -2,-0.2 2,-0.6 -0.985 8.7-163.3-136.8 122.6 45.9 13.8 26.4 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.960 18.6 171.3-110.1 114.8 45.2 17.5 27.0 65 83 A I E -N 48 0C 20 -17,-3.2 -17,-3.3 -2,-0.6 2,-0.1 -0.993 28.1-127.4-131.6 138.3 41.5 18.3 26.6 66 84 A S E -N 47 0C 55 -2,-0.4 25,-2.9 -19,-0.3 26,-0.4 -0.452 26.0-115.7 -80.2 156.0 39.7 21.5 27.4 67 85 A A E -O 90 0C 24 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.676 18.3-165.9 -88.5 146.1 36.6 21.5 29.7 68 86 A S E S+ 0 0 69 21,-2.5 2,-0.3 1,-0.4 22,-0.2 0.615 74.1 4.7-101.1 -29.3 33.3 22.6 28.0 69 87 A K E -O 89 0C 81 20,-1.0 20,-3.0 2,-0.0 -1,-0.4 -0.973 56.4-156.1-157.9 149.0 31.5 23.0 31.3 70 88 A S E -O 88 0C 46 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.973 8.6-166.8-124.6 140.3 32.0 23.0 35.1 71 89 A I E -O 87 0C 36 16,-2.6 16,-2.3 -2,-0.3 2,-0.3 -0.964 6.7-158.3-132.1 111.4 29.3 22.4 37.7 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.667 42.5 -87.6 -87.4 144.6 30.0 23.1 41.3 73 91 A H > - 0 0 20 12,-2.0 3,-1.7 -2,-0.3 -1,-0.1 -0.259 36.5-125.0 -51.2 134.5 27.8 21.3 43.7 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.759 108.3 41.8 -55.2 -29.9 24.6 23.4 44.3 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.117 77.9 141.4-107.4 20.2 25.2 23.4 48.1 76 94 A Y < - 0 0 55 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.472 35.9-158.8 -65.6 131.3 28.9 24.0 48.2 77 95 A N B >> -P 82 0D 69 5,-2.1 4,-2.6 -2,-0.2 5,-0.7 -0.955 5.2-163.9-114.0 105.8 29.8 26.3 51.1 78 96 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.633 87.2 57.3 -68.8 -12.5 33.3 27.9 50.5 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.881 124.0 19.7 -86.4 -40.3 33.5 29.0 54.1 80 98 A T T 45S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.573 97.1-130.8-101.2 -15.9 33.1 25.5 55.6 81 99 A L T ><5 + 0 0 30 -4,-2.6 3,-0.7 1,-0.3 2,-0.2 0.685 49.3 160.0 71.4 24.5 34.1 23.6 52.5 82 100 A N B 3 < +P 77 0D 34 -5,-0.7 -5,-2.1 1,-0.2 -1,-0.3 -0.597 64.9 17.5 -76.3 139.4 31.0 21.4 52.9 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.7 -7,-0.2 -10,-0.2 0.911 80.1 176.3 64.0 49.9 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.550 33.4 109.8 -87.1 76.4 33.4 20.3 48.1 85 103 A I - 0 0 0 -2,-1.7 -12,-2.0 -47,-0.3 2,-0.3 -0.989 38.4-179.7-148.2 146.9 32.9 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.989 18.7-137.7-149.2 151.0 32.5 19.7 41.2 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.6 -2,-0.3 2,-0.4 -0.885 13.9-162.9-113.8 140.5 32.0 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.3 -2,-0.4 2,-0.4 -0.996 6.5-151.6-125.8 127.2 33.9 18.9 34.7 89 107 A K E -MO 34 69C 39 -20,-3.0 -21,-2.5 -2,-0.4 -20,-1.0 -0.804 17.8-131.3-101.8 143.1 32.8 17.9 31.2 90 108 A L E - O 0 67C 2 -57,-2.4 -23,-0.2 -2,-0.4 3,-0.1 -0.591 10.5-130.1 -90.1 151.7 35.5 17.5 28.5 91 109 A K S S+ 0 0 149 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.877 97.1 20.4 -69.5 -37.8 35.1 19.1 25.1 92 110 A S S S- 0 0 75 -26,-0.4 2,-0.2 -60,-0.1 -1,-0.1 -0.899 95.4-100.9-127.1 158.1 36.0 15.7 23.5 93 111 A A - 0 0 51 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.568 40.6-116.7 -80.3 144.0 35.8 12.3 25.0 94 112 A A - 0 0 8 -62,-3.2 2,-0.7 -2,-0.2 -1,-0.1 -0.372 21.4-118.9 -75.2 158.0 39.1 10.9 26.1 95 113 A S - 0 0 80 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.902 33.3-144.0-100.0 117.8 40.5 7.8 24.5 96 114 A L + 0 0 82 -2,-0.7 2,-0.2 3,-0.1 5,-0.2 -0.670 35.8 141.1 -89.9 140.3 40.8 5.2 27.3 97 115 A N - 0 0 70 3,-2.6 3,-0.4 -2,-0.3 0, 0.0 -0.787 69.1 -62.4-152.6-167.8 43.6 2.8 27.3 98 116 A S S S+ 0 0 110 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.868 135.1 41.3 -55.1 -39.8 45.9 1.2 29.8 99 117 A R S S+ 0 0 103 1,-0.2 2,-0.5 -87,-0.1 -48,-0.3 0.623 118.9 43.4 -84.9 -19.3 47.3 4.6 30.8 100 118 A V S S+ 0 0 1 -3,-0.4 -3,-2.6 -50,-0.1 2,-0.3 -0.984 75.0 148.6-129.0 112.3 44.1 6.5 30.8 101 119 A A - 0 0 30 -88,-1.5 -72,-0.3 -2,-0.5 2,-0.2 -0.944 41.3-116.3-141.3 162.2 41.2 4.7 32.5 102 120 A S - 0 0 51 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.613 23.2-131.0 -98.5 161.7 38.1 5.8 34.6 103 121 A I - 0 0 15 -74,-2.5 2,-0.2 -2,-0.2 83,-0.1 -0.838 24.9-113.4-111.0 152.8 37.6 4.9 38.2 104 122 A S B -c 186 0B 63 81,-0.7 83,-2.5 -2,-0.3 -73,-0.1 -0.557 21.1-123.5 -87.3 148.8 34.3 3.5 39.5 105 123 A L - 0 0 34 -2,-0.2 2,-0.1 81,-0.2 83,-0.1 -0.579 40.2 -98.0 -88.4 154.5 31.9 5.2 41.8 106 124 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.406 15.0-154.6 -77.8 150.1 31.1 3.4 45.0 107 125 A T S S+ 0 0 135 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.680 87.4 6.8 -92.4 -28.6 27.9 1.3 45.6 108 127 A S S S- 0 0 81 103,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.891 89.3 -91.7-143.3 174.2 28.3 1.9 49.5 109 128 A c - 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 -0.452 44.6-109.8 -85.9 165.4 30.5 4.0 51.7 110 129 A A - 0 0 32 -2,-0.1 2,-0.2 78,-0.1 3,-0.1 -0.728 27.6-115.1-101.4 153.1 33.8 2.6 53.2 111 130 A S > - 0 0 85 -2,-0.3 3,-2.1 1,-0.1 31,-0.3 -0.462 34.8 -94.8 -83.0 149.4 34.4 1.7 56.9 112 132 A A T 3 S+ 0 0 58 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.323 115.3 41.0 -58.0 144.4 36.9 3.4 59.2 113 133 A G T 3 S+ 0 0 51 29,-2.8 -1,-0.3 1,-0.4 30,-0.1 0.011 80.3 129.2 103.3 -32.7 40.1 1.2 58.9 114 134 A T < - 0 0 33 -3,-2.1 28,-2.1 27,-0.1 -1,-0.4 -0.352 58.3-129.3 -61.5 134.5 39.9 0.7 55.2 115 135 A Q E -D 141 0B 108 26,-0.2 69,-0.4 -3,-0.1 2,-0.3 -0.658 30.2-174.4 -85.0 141.6 43.2 1.5 53.5 116 136 A d E -D 140 0B 5 24,-2.4 24,-1.7 -2,-0.3 2,-0.5 -0.859 24.2-124.4-132.9 167.3 43.0 3.9 50.5 117 137 A L E -DE 139 182B 39 65,-2.8 65,-2.5 -2,-0.3 2,-0.4 -0.973 25.2-173.7-117.1 127.6 45.4 5.2 48.0 118 138 A I E +DE 138 181B 1 20,-2.8 20,-1.7 -2,-0.5 2,-0.3 -0.930 10.7 177.8-117.4 141.8 45.7 9.0 47.7 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.974 11.0 121.7-146.1 160.4 47.8 10.7 44.9 120 140 A G E -D 136 0B 0 16,-2.2 16,-1.7 -2,-0.3 56,-0.2 -0.924 58.8-100.5 164.8 172.3 48.8 14.0 43.4 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.134 74.3 127.4-106.4 29.5 51.4 16.5 42.4 122 142 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.248 69.8 -54.0 -83.6 175.8 50.9 18.7 45.5 123 143 A N - 0 0 8 51,-2.0 8,-0.2 8,-0.1 -1,-0.2 -0.064 40.3-163.3 -48.4 144.9 53.5 20.0 48.0 124 144 A T + 0 0 24 6,-2.1 -121,-0.5 -3,-0.1 2,-0.4 0.348 64.1 77.8-115.6 3.0 55.7 17.3 49.7 125 145 A K - 0 0 98 5,-0.3 3,-0.3 3,-0.2 5,-0.1 -0.944 56.9-159.7-115.8 132.7 57.0 19.3 52.7 126 146 A S S S+ 0 0 55 -2,-0.4 2,-0.9 1,-0.3 71,-0.2 0.974 98.9 30.5 -71.9 -52.5 55.0 19.9 55.9 127 147 A S S S+ 0 0 107 71,-0.1 -1,-0.3 69,-0.1 2,-0.3 -0.862 128.4 16.6-103.3 99.9 57.3 22.8 56.8 128 148 A G S S- 0 0 43 -2,-0.9 2,-0.4 -3,-0.3 -3,-0.2 -0.814 83.8 -84.3 134.2-176.2 58.4 24.2 53.4 129 149 A T + 0 0 109 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.983 45.9 148.8-136.4 123.1 57.6 24.1 49.8 130 150 A S - 0 0 54 -2,-0.4 -6,-2.1 -5,-0.1 -5,-0.3 -0.886 23.8-163.2-154.7 116.4 58.8 21.4 47.3 131 151 A Y - 0 0 110 -2,-0.3 -8,-0.1 -8,-0.2 -9,-0.1 -0.939 12.7-140.5-111.1 124.3 56.6 20.6 44.4 132 152 A P - 0 0 18 0, 0.0 4,-0.1 0, 0.0 -77,-0.1 -0.352 8.1-151.0 -80.1 159.4 57.2 17.3 42.6 133 153 A D S S+ 0 0 70 -2,-0.1 -78,-2.5 2,-0.1 2,-0.3 0.677 81.2 58.2-101.7 -24.1 57.1 16.8 38.8 134 154 A V S S- 0 0 39 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.742 100.5 -85.7-107.8 158.0 56.0 13.1 39.0 135 155 A L - 0 0 2 -2,-0.3 -128,-1.9 -82,-0.3 -127,-0.5 -0.354 40.2-154.6 -63.0 132.4 53.0 11.7 40.7 136 156 A K E -BD 6 120B 51 -16,-1.7 -16,-2.2 -130,-0.2 2,-0.3 -0.886 7.4-157.1-113.9 143.6 53.3 10.9 44.4 137 157 A a E -BD 5 119B 2 -132,-3.1 -132,-2.2 -2,-0.4 2,-0.3 -0.803 9.8-174.7-119.8 156.5 51.2 8.2 46.2 138 158 A L E - D 0 118B 6 -20,-1.7 -20,-2.8 -2,-0.3 2,-0.5 -0.956 15.1-150.1-154.4 130.8 50.2 7.6 49.7 139 159 A K E + D 0 117B 117 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.892 31.4 159.4-103.0 133.6 48.4 4.8 51.4 140 160 A A E - D 0 116B 0 -24,-1.7 -24,-2.4 -2,-0.5 2,-0.2 -0.982 33.9-122.4-148.7 145.2 46.4 5.9 54.4 141 161 A P E - D 0 115B 22 0, 0.0 23,-2.0 0, 0.0 2,-0.3 -0.569 31.2-103.4 -87.7 159.2 43.4 4.4 56.3 142 162 A I B -F 163 0B 13 -28,-2.1 -29,-2.8 -31,-0.3 21,-0.3 -0.636 41.3-137.1 -77.4 137.0 40.1 6.1 56.9 143 163 A L - 0 0 27 19,-2.6 19,-0.3 -2,-0.3 -29,-0.1 -0.556 24.3 -92.1 -95.0 160.3 39.9 7.3 60.5 144 164 A S > - 0 0 48 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.355 34.0-119.2 -66.7 152.0 36.9 6.9 62.8 145 165 A D H > S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.787 111.3 63.1 -65.7 -25.7 34.6 10.0 62.8 146 166 A S H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 105.4 41.1 -68.2 -43.9 35.4 10.4 66.5 147 167 A S H > S+ 0 0 23 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 115.3 53.9 -72.8 -28.5 39.0 11.1 66.0 148 168 A e H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.971 111.3 44.5 -64.8 -51.9 38.2 13.2 63.0 149 169 A K H < S+ 0 0 108 -4,-2.8 6,-0.2 1,-0.2 -1,-0.2 0.772 110.1 54.6 -65.6 -27.9 35.7 15.4 65.0 150 170 A S H < S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.8 48.9 -74.4 -32.5 38.1 15.7 68.0 151 171 A A H < S+ 0 0 14 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.832 127.6 25.4 -72.8 -32.8 40.8 17.1 65.7 152 172 A Y S >X S- 0 0 4 -4,-1.6 3,-2.2 -5,-0.1 4,-0.7 -0.571 84.4-160.2-130.1 67.1 38.4 19.5 64.2 153 173 A P T 34 S- 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.192 76.0 -1.2 -57.5 136.6 35.5 20.3 66.6 154 174 A G T 34 S+ 0 0 91 -5,-0.1 -4,-0.1 2,-0.1 -5,-0.1 0.496 116.2 86.6 63.5 8.0 32.4 21.8 65.0 155 175 A Q T <4 + 0 0 106 -3,-2.2 2,-0.5 -6,-0.2 -1,-0.1 0.579 64.8 85.8-110.6 -12.9 34.0 21.7 61.5 156 176 A I < - 0 0 19 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.791 54.0-174.5 -95.1 129.6 33.2 18.2 60.3 157 177 A T > - 0 0 44 -2,-0.5 3,-1.3 4,-0.0 -2,-0.0 -0.542 44.9 -95.7-110.5 179.0 29.9 17.4 58.6 158 178 A S T 3 S+ 0 0 87 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.606 120.3 65.7 -70.9 -10.0 28.4 14.1 57.4 159 179 A N T 3 S+ 0 0 28 48,-0.1 49,-2.3 51,-0.0 2,-0.3 0.157 98.4 65.0 -97.4 16.3 29.8 14.8 53.9 160 180 A M E < + G 0 207B 3 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.955 54.0 179.9-137.3 155.3 33.4 14.6 55.1 161 181 A F E - G 0 206B 12 45,-1.8 45,-3.1 -2,-0.3 2,-0.3 -0.974 23.4-127.6-150.4 154.7 35.7 11.9 56.5 162 182 A e E - G 0 205B 0 -19,-0.3 -19,-2.6 -2,-0.3 2,-0.3 -0.803 22.8-178.7-107.1 150.1 39.3 12.1 57.7 163 183 A A E +FG 142 204B 0 41,-1.6 41,-1.3 -2,-0.3 2,-0.4 -0.987 37.8 59.2-145.2 144.6 42.1 9.8 56.5 164 184AA G S S- 0 0 4 -23,-2.0 2,-0.4 -2,-0.3 7,-0.1 -0.997 81.7 -48.1 145.5-149.7 45.6 9.7 57.6 165 184 A Y > - 0 0 56 5,-0.6 3,-1.2 -2,-0.4 37,-0.3 -0.997 27.2-152.1-133.1 123.4 47.9 9.4 60.6 166 185 A L T 3 S+ 0 0 54 -2,-0.4 35,-3.0 1,-0.3 36,-0.2 0.791 97.0 66.1 -70.1 -24.7 47.3 11.2 63.8 167 186 A E T 3 S- 0 0 129 33,-0.2 -1,-0.3 1,-0.2 33,-0.3 0.741 105.4-134.4 -68.3 -17.4 51.1 11.1 64.5 168 187 A G < + 0 0 8 -3,-1.2 31,-0.2 31,-0.3 -1,-0.2 -0.352 69.8 103.9 91.6-179.4 51.6 13.4 61.5 169 188AA G S S+ 0 0 38 29,-2.5 2,-0.4 28,-0.1 30,-0.1 -0.042 77.2 63.7 96.9 -33.2 54.3 12.9 58.7 170 188 A K + 0 0 70 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.997 63.0 121.6-130.1 126.9 52.0 11.6 56.0 171 189 A D B -A 2 0A 5 -169,-1.8 -169,-2.8 -2,-0.4 2,-0.2 -0.969 58.0-104.5-168.5 170.4 49.2 13.6 54.4 172 190 A S - 0 0 6 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.470 46.7-170.8 -93.1 177.0 47.8 15.0 51.1 173 191 A f > - 0 0 8 -2,-0.2 3,-2.4 24,-0.1 4,-0.5 -0.954 36.5 -47.7-159.5 174.0 48.5 18.8 50.8 174 192 A Q T 3 S+ 0 0 126 -2,-0.3 -51,-2.0 1,-0.2 -149,-0.1 -0.201 125.7 39.2 -51.5 137.6 47.6 21.8 48.6 175 193 A G T 3 S+ 0 0 10 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.2 -0.071 104.3 70.6 109.2 -32.7 48.1 20.8 44.9 176 194 A D S X S+ 0 0 0 -3,-2.4 3,-2.3 -56,-0.2 15,-0.3 0.627 74.2 129.6 -82.9 -20.4 46.7 17.4 45.7 177 195 A S T 3 + 0 0 13 -4,-0.5 -151,-2.9 1,-0.3 15,-0.2 -0.025 69.9 19.0 -35.3 131.3 43.3 19.2 46.0 178 196 A G T 3 S+ 0 0 0 13,-3.0 -1,-0.3 1,-0.3 -150,-0.1 0.185 99.4 131.2 85.7 -16.2 40.5 17.6 44.0 179 197 A G < - 0 0 0 -3,-2.3 12,-2.2 1,-0.1 -1,-0.3 -0.071 58.7 -85.9 -68.0 168.1 42.4 14.4 43.7 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.4 -0.393 21.1-168.0 -79.4 152.2 41.3 10.8 44.3 181 199 A V E -EH 118 189B 0 8,-1.2 7,-2.3 -63,-0.2 8,-1.9 -0.956 23.5-171.6-136.2 105.0 41.1 8.7 47.5 182 200 A V E +EH 117 187B 17 -65,-2.5 -65,-2.8 -2,-0.4 2,-0.4 -0.932 10.0 177.2-110.5 129.4 40.5 5.1 46.2 183 201 A d E > S- H 0 186B 1 3,-2.2 3,-1.9 -2,-0.5 -67,-0.2 -0.998 71.3 -11.3-132.6 131.3 39.7 2.3 48.6 184 202 A S T 3 S- 0 0 112 -69,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.764 129.2 -52.0 49.3 35.3 38.8 -1.2 47.4 185 203 A G T 3 S+ 0 0 42 1,-0.2 -81,-0.7 -79,-0.0 2,-0.4 0.487 116.5 102.0 87.5 0.9 38.5 -0.1 43.7 186 204 A K E < S-cH 104 183B 68 -3,-1.9 -3,-2.2 -83,-0.1 2,-0.9 -0.908 77.0-116.0-122.9 151.6 36.1 2.7 44.3 187 209 A L E + H 0 182B 0 -83,-2.5 -5,-0.2 -2,-0.4 3,-0.1 -0.739 43.8 162.4 -82.8 110.4 36.5 6.4 44.4 188 210 A Q E + 0 0 14 -7,-2.3 21,-1.5 -2,-0.9 22,-0.5 0.670 54.8 22.2-105.2 -25.6 35.5 7.2 48.0 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.2 19,-0.2 2,-0.4 -0.932 53.0-143.7-144.0 168.7 37.0 10.6 48.6 190 212 A I E -IH 207 180B 2 17,-0.7 17,-2.0 -2,-0.3 2,-0.3 -0.994 41.4-106.4-128.6 130.6 38.2 13.9 47.0 191 213 A V E +I 206 0B 5 -12,-2.2 -13,-3.0 -2,-0.4 15,-0.2 -0.454 57.4 153.7 -61.2 117.8 41.2 15.7 48.6 192 214 A S E - 0 0 7 13,-1.5 2,-0.3 -2,-0.3 14,-0.2 0.770 44.5 -37.2-115.3 -68.3 39.5 18.7 50.3 193 215 A W E +I 205 0B 47 12,-2.1 12,-3.1 -19,-0.0 -1,-0.3 -0.901 40.9 168.8-154.7-176.3 41.3 20.3 53.3 194 216 A G - 0 0 27 -2,-0.3 2,-0.7 10,-0.2 10,-0.1 -0.947 50.8 -81.2-178.4-174.5 43.3 20.0 56.4 195 217 A S S S- 0 0 54 7,-0.3 4,-0.5 8,-0.3 7,-0.1 -0.945 94.9 -50.2-109.4 105.5 45.2 22.2 58.9 196 219 A G S S- 0 0 57 -2,-0.7 2,-0.4 2,-0.1 -69,-0.1 -0.272 95.5 -65.6 58.7-150.7 48.6 22.8 57.1 197 220 A f S S- 0 0 14 -71,-0.2 -24,-0.1 -3,-0.1 -28,-0.1 -0.999 102.6 -2.9-140.1 139.7 49.9 19.4 56.0 198 221AA A S S+ 0 0 7 -2,-0.4 -29,-2.5 -26,-0.4 2,-0.2 0.662 82.0 155.5 57.5 25.7 51.1 16.3 57.8 199 221 A Q > - 0 0 91 3,-0.5 3,-1.7 -4,-0.5 -31,-0.3 -0.550 52.5 -96.3 -83.3 148.9 50.8 17.9 61.3 200 222 A K T 3 S+ 0 0 148 1,-0.3 -33,-0.2 -33,-0.3 -34,-0.1 -0.384 108.6 5.9 -64.0 135.4 50.3 15.7 64.3 201 223 A N T 3 S+ 0 0 86 -35,-3.0 -1,-0.3 -36,-0.1 -35,-0.1 0.576 109.0 97.8 61.5 18.2 46.6 15.4 65.3 202 224 A K < - 0 0 66 -3,-1.7 -3,-0.5 -37,-0.3 -7,-0.3 -0.693 56.0-179.9-129.3 72.2 45.5 17.3 62.1 203 225 A P - 0 0 3 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.147 37.0 -88.6 -68.9 169.0 44.6 14.5 59.5 204 226 A G E -G 163 0B 0 -41,-1.3 -41,-1.6 -10,-0.1 2,-0.4 -0.494 36.8-139.0 -77.9 154.8 43.5 15.3 56.0 205 227 A V E -GI 162 193B 1 -12,-3.1 -12,-2.1 -43,-0.2 -13,-1.5 -0.958 20.4-167.7-119.7 133.7 39.7 15.8 55.4 206 228 A Y E -GI 161 191B 1 -45,-3.1 -45,-1.8 -2,-0.4 2,-0.3 -0.907 28.0-106.6-123.0 148.0 38.1 14.4 52.3 207 229 A T E -GI 160 190B 2 -17,-2.0 2,-1.4 -2,-0.3 -17,-0.7 -0.585 36.3-125.3 -74.1 133.3 34.7 14.8 50.6 208 230 A K E > - I 0 189B 51 -49,-2.3 3,-1.8 -2,-0.3 -19,-0.2 -0.666 27.3-171.9 -85.5 87.1 32.6 11.7 51.2 209 231 A V G > S+ 0 0 0 -21,-1.5 3,-2.5 -2,-1.4 4,-0.4 0.744 73.5 72.7 -53.1 -33.1 31.8 10.7 47.6 210 232 A c G 3 S+ 0 0 22 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.731 92.6 59.9 -60.1 -18.5 29.3 7.9 48.5 211 233 A N G < S+ 0 0 74 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.534 107.1 46.7 -84.8 -5.7 26.9 10.7 49.5 212 234 A Y S <> S+ 0 0 8 -3,-2.5 4,-2.6 -4,-0.2 5,-0.2 0.312 73.4 106.1-118.8 10.1 26.9 12.2 46.0 213 235 A V H > S+ 0 0 21 -3,-0.5 4,-2.6 -4,-0.4 5,-0.2 0.889 84.3 46.1 -60.0 -43.5 26.5 9.2 43.6 214 236 A S H > S+ 0 0 93 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.917 113.8 49.8 -67.6 -40.3 22.9 10.0 42.6 215 237 A W H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 113.7 46.6 -61.9 -45.4 23.7 13.8 42.1 216 238 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.981 114.2 45.9 -60.9 -54.9 26.7 12.8 39.9 217 239 A K H X S+ 0 0 126 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.899 116.6 44.9 -55.8 -41.8 24.8 10.3 37.9 218 240 A Q H X S+ 0 0 139 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.899 112.9 50.8 -70.3 -42.3 21.8 12.6 37.4 219 241 A T H < S+ 0 0 18 -4,-2.7 3,-0.4 -5,-0.3 4,-0.2 0.923 112.0 45.4 -63.9 -46.2 24.0 15.6 36.5 220 242 A I H >< S+ 0 0 31 -4,-2.9 3,-1.2 -5,-0.2 -1,-0.2 0.882 110.5 53.8 -69.6 -32.5 26.1 13.8 33.9 221 243 A A H 3< S+ 0 0 84 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.757 112.0 45.6 -71.6 -21.1 23.1 12.2 32.2 222 244 A S T 3< 0 0 89 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.276 360.0 360.0-103.6 12.4 21.4 15.6 31.9 223 245 A N < 0 0 80 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.358 360.0 360.0-137.5 360.0 24.4 17.5 30.6