==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-12 4I8K . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Z.DAUTER,D.LIEBSCHNER,M.DAUTER,A.BRZUSZKIEWICZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 -8.1 -20.5 -14.6 2 17 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.883 360.0 7.2-101.6 131.1 -10.3 -19.7 -17.5 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.663 102.9 114.9 77.5 18.5 -12.0 -22.6 -19.4 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.055 58.6-109.7 -99.8-153.5 -10.8 -25.3 -17.0 5 20 A Y E -B 137 0B 98 132,-2.5 132,-2.8 -3,-0.1 2,-0.5 -0.937 34.9 -86.0-142.5 159.7 -12.5 -27.6 -14.6 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.604 37.5-151.0 -70.2 119.4 -13.0 -28.2 -10.9 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.882 35.0-113.9 -59.7 -43.8 -9.9 -30.3 -9.9 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.002 47.3 -56.7 105.8 143.2 -11.5 -32.1 -7.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.234 117.7 -11.6 -62.8 126.3 -10.5 -31.7 -3.4 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.669 91.7 126.2 62.1 23.9 -6.8 -32.4 -2.7 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.556 74.8 50.0 -83.9 -7.7 -6.2 -34.0 -6.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.777 74.4 175.1-125.9 74.5 -3.3 -31.5 -6.7 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.639 72.0 56.1 -75.8 -10.6 -1.5 -32.2 -3.4 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.465 81.9 108.5 -88.9 -9.1 1.5 -30.0 -4.2 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.595 48.7-175.4 -74.2 128.6 -0.7 -26.9 -4.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.868 20.1-137.9-117.5 157.0 -0.4 -24.2 -2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.954 15.2-141.4-107.3 129.1 -2.2 -20.9 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-0.9 -0.848 25.2-167.0 -90.8 127.0 -0.1 -18.0 -0.4 19 34 A N E +JK 23 47C 18 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.958 31.8 166.4-125.8 130.3 -2.2 -16.0 2.1 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.295 98.1 -46.2-128.2 46.0 -1.6 -12.5 3.5 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.194 140.4 27.4 103.5 -10.1 -5.1 -12.2 5.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.923 102.5 -80.1-171.4 153.3 -6.5 -13.4 1.7 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.507 51.5 158.4 -63.0 134.0 -5.3 -15.7 -1.1 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.520 57.4 2.7-132.9 -16.0 -3.1 -13.8 -3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.975 62.6-119.2-161.8 159.6 -0.9 -16.3 -5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.413 27.4 176.6 -91.3 179.2 -0.3 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.1 2,-0.4 -0.947 24.6-116.7-168.7 175.9 2.9 -22.0 -5.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.992 20.1-129.2-131.3 130.6 4.2 -25.5 -5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.666 28.2 172.3 -76.7 123.6 5.5 -27.6 -2.4 30 47 A I E - 0 0 18 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.599 67.2 -9.3-111.6 -16.2 8.9 -29.1 -3.4 31 48 A N E > S- L 0 34C 49 3,-1.3 3,-1.0 70,-0.1 -1,-0.3 -0.944 88.7 -78.7-162.2 178.1 9.8 -30.6 0.0 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.693 128.5 30.7 -59.4 -16.3 8.5 -30.5 3.6 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.464 110.1 67.4-119.1 -4.6 10.1 -27.1 4.2 34 51 A W E < -LM 31 89C 0 -3,-1.0 -4,-2.6 55,-0.2 -3,-1.3 -0.978 47.7-168.5-137.0 139.8 10.1 -25.2 0.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.944 14.5-145.0-120.2 138.7 7.7 -23.8 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.881 35.2 148.0 -93.6 131.2 8.4 -22.5 -5.3 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.4 -0.785 50.0 -71.4-145.3-169.3 6.4 -19.5 -6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.745 31.7-133.6 -89.0 140.4 6.8 -16.5 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.829 106.4 65.4 -58.6 -32.4 9.0 -13.6 -7.7 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.636 93.6 62.8 -70.8 -9.0 6.3 -11.2 -8.7 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.374 77.1 132.2 -84.9 -2.3 4.3 -12.7 -5.8 42 59 A Y < + 0 0 132 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.293 19.9 139.0 -56.3 136.7 6.8 -11.6 -3.2 43 60 A K - 0 0 56 -2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.945 49.7-107.2-162.9 159.5 5.5 -9.9 -0.1 44 61 A S S S+ 0 0 91 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.473 95.1 42.7 -79.3 162.0 6.4 -10.0 3.6 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.883 74.4 170.3 74.5 35.0 4.0 -11.7 6.0 46 63 A I - 0 0 8 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.682 20.8-164.9 -82.9 133.1 3.2 -14.8 4.0 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.979 17.4-141.3-108.4 125.9 1.3 -17.7 5.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.751 11.8-157.4 -86.0 129.7 1.5 -20.8 3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.937 14.2-178.9-115.5 110.4 -1.7 -22.8 3.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.646 61.0 32.1 -98.5 160.6 -1.3 -26.5 2.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.685 84.4 155.2 68.6 19.9 -4.0 -29.1 1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.567 22.1 149.9 -86.2 143.0 -6.5 -26.5 0.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.384 81.6 30.6-119.2 -82.2 -9.6 -27.0 -1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.665 72.6-160.4 -75.2 112.7 -12.1 -24.4 -0.7 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.548 88.4 51.4 -74.6 -4.9 -9.9 -21.5 0.4 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.355 105.6 58.3-110.2 4.1 -12.9 -19.9 2.3 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -1.000 77.9-128.2-135.5 133.2 -13.9 -23.0 4.3 58 76 A V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.727 34.4 171.9 -79.8 111.3 -11.9 -25.1 6.8 59 77 A E - 0 0 95 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.531 50.5 -99.5-106.7 -9.5 -12.5 -28.6 5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.340 103.8 75.0 115.5 -7.0 -10.1 -30.7 7.5 61 79 A N + 0 0 62 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.350 66.6 120.9-116.7 5.8 -7.0 -31.3 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.316 39.8-167.8 -72.0 150.7 -5.3 -27.9 5.7 63 81 A Q E -N 50 0C 39 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.5 -0.971 7.7-163.5-131.1 122.2 -1.9 -27.0 7.2 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 16.4 170.6-106.5 120.1 -1.3 -23.3 7.7 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.5 2,-0.1 -0.991 28.9-127.8-136.8 125.6 2.4 -22.5 8.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.390 29.2-111.5 -69.0 144.8 4.0 -19.1 8.3 67 85 A A E -O 90 0C 18 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.536 23.8-169.4 -71.7 138.8 7.0 -18.4 6.0 68 86 A S E S+ 0 0 65 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.699 72.5 2.7 -93.3 -26.8 10.3 -17.9 7.8 69 87 A K E -O 89 0C 91 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.982 57.3-157.5-158.6 143.5 12.2 -16.6 4.7 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.990 7.7-163.3-128.3 145.0 11.6 -15.8 1.1 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.949 5.2-158.5-130.2 100.9 14.3 -15.7 -1.5 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.574 43.3 -87.0 -72.5 143.7 13.6 -13.9 -4.8 73 91 A H > - 0 0 22 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.214 35.6-122.2 -53.0 142.0 15.8 -15.1 -7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.828 110.4 40.3 -56.2 -33.7 19.1 -13.1 -7.7 75 93 A S T 3 S+ 0 0 74 2,-0.1 -2,-0.1 8,-0.0 2,-0.1 0.166 79.1 142.4-106.5 17.5 18.4 -11.9 -11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.360 31.6-164.7 -59.4 132.1 14.7 -11.3 -11.1 77 95 A N B >> -P 82 0D 66 5,-2.1 4,-2.2 1,-0.1 5,-0.5 -0.961 7.9-162.7-121.5 110.8 13.7 -8.2 -13.2 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.652 86.6 58.1 -68.6 -18.7 10.2 -7.0 -12.3 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.897 122.7 21.1 -77.6 -43.3 9.9 -5.0 -15.5 80 98 A T T 45S- 0 0 75 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.575 97.2-129.7 -96.9 -14.7 10.5 -7.9 -18.0 81 99 A L T ><5 + 0 0 33 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.582 50.3 159.5 63.3 18.7 9.5 -10.7 -15.6 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.469 67.3 15.2 -67.5 137.0 12.7 -12.5 -16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.907 79.8 179.3 64.2 46.9 13.6 -15.0 -13.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.468 37.5 109.8 -83.3 77.0 10.1 -14.8 -12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 37.4 174.5-151.3 142.9 10.8 -17.4 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.978 21.4-135.0-144.7 161.6 11.2 -17.3 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.922 13.9-162.0-115.3 142.8 11.6 -19.8 -2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 7.2-151.0-127.6 124.2 9.7 -19.6 0.4 89 107 A K E -MO 34 69C 41 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.2 -0.812 15.9-131.5 -95.6 137.3 10.9 -21.5 3.5 90 108 A L E - O 0 67C 2 -57,-2.8 -23,-0.2 -2,-0.4 -24,-0.1 -0.615 10.8-131.2 -86.1 142.5 8.3 -22.6 6.0 91 109 A K S S+ 0 0 142 -25,-2.8 2,-0.3 -2,-0.3 -24,-0.1 0.763 95.8 18.7 -64.7 -26.2 8.8 -21.9 9.8 92 110 A S S S- 0 0 65 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.965 96.4 -94.8-138.8 154.3 8.0 -25.6 10.5 93 111 A A - 0 0 56 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.495 39.5-118.5 -71.9 137.6 8.0 -28.7 8.3 94 112 A A - 0 0 8 -62,-3.1 2,-0.8 -2,-0.2 -1,-0.1 -0.385 23.2-117.2 -64.9 151.0 4.8 -29.7 6.7 95 113 A S - 0 0 79 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.844 35.1-141.5 -88.2 111.0 3.4 -33.1 7.6 96 114 A L + 0 0 80 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.580 37.7 141.8 -82.0 141.7 3.4 -34.9 4.2 97 115 A N B > -Q 100 0E 74 3,-2.6 3,-0.5 -2,-0.3 -1,-0.0 -0.829 67.5 -68.1-158.9-171.3 0.5 -37.2 3.4 98 116 A S T 3 S+ 0 0 90 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.742 133.3 39.2 -65.3 -25.1 -1.6 -38.2 0.5 99 117 A R T 3 S+ 0 0 112 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.529 118.2 47.1-100.6 -11.2 -3.2 -34.7 0.4 100 118 A V B < S+Q 97 0E 0 -3,-0.5 -3,-2.6 -50,-0.1 2,-0.3 -0.941 79.7 146.8-134.1 101.1 -0.1 -32.6 1.1 101 119 A A - 0 0 27 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.1 -0.987 44.6-113.5-145.2 147.1 2.8 -33.8 -1.0 102 120 A S - 0 0 58 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.460 25.0-133.8 -79.4 157.6 5.8 -32.4 -2.8 103 121 A I - 0 0 15 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.904 26.7-111.4-108.4 136.6 6.2 -32.3 -6.6 104 122 A S B -c 186 0B 69 81,-0.6 83,-2.8 -2,-0.4 -73,-0.1 -0.361 23.7-123.2 -68.1 147.4 9.4 -33.4 -8.2 105 123 A L - 0 0 32 81,-0.2 83,-0.1 -75,-0.1 2,-0.1 -0.491 37.7-100.4 -78.7 153.7 11.7 -31.0 -9.9 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.419 16.9-155.6 -79.9 155.7 12.5 -31.8 -13.5 107 125 A T S S+ 0 0 132 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.575 83.1 11.1 -96.3 -20.0 15.7 -33.5 -14.6 108 127 A S S S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 102,-0.1 -0.952 93.3 -86.7-150.0 161.2 15.5 -32.1 -18.2 109 128 A c - 0 0 54 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.0 -0.294 44.4-115.1 -68.1 153.5 13.4 -29.4 -19.8 110 129 A A - 0 0 29 78,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.466 28.1-122.9 -83.6 161.5 10.0 -30.3 -21.3 111 130 A S > - 0 0 80 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.796 28.7 -89.6-109.9 150.2 9.2 -30.1 -25.0 112 132 A A T 3 S+ 0 0 58 -2,-0.3 31,-0.2 1,-0.2 3,-0.1 -0.258 114.7 34.7 -52.3 139.2 6.6 -28.3 -27.0 113 133 A G T 3 S+ 0 0 59 29,-2.7 -1,-0.2 1,-0.4 2,-0.1 0.111 84.2 131.6 96.8 -19.4 3.5 -30.6 -27.3 114 134 A T < - 0 0 40 -3,-2.2 28,-2.2 1,-0.1 -1,-0.4 -0.430 57.9-123.8 -62.4 137.7 3.9 -32.1 -23.9 115 135 A Q E -D 141 0B 118 26,-0.2 69,-0.5 -2,-0.1 2,-0.3 -0.650 34.0-179.7 -87.0 140.5 0.7 -32.0 -21.9 116 136 A d E -D 140 0B 3 24,-2.3 24,-2.3 -2,-0.3 2,-0.5 -0.906 27.5-124.9-137.8 164.7 0.6 -30.4 -18.6 117 137 A L E -DE 139 182B 35 65,-2.8 65,-2.4 -2,-0.3 2,-0.4 -0.946 24.1-172.8-111.3 122.7 -1.7 -29.6 -15.6 118 138 A I E +DE 138 181B 0 20,-2.9 20,-2.2 -2,-0.5 2,-0.3 -0.924 12.7 177.1-115.2 137.1 -2.0 -25.9 -14.6 119 139 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.4 18,-0.2 -0.962 10.6 117.6-146.1 155.6 -4.0 -25.1 -11.4 120 140 A G E -D 136 0B 1 16,-2.3 16,-2.0 -2,-0.3 56,-0.2 -0.949 58.9 -97.5 168.1 178.1 -5.1 -22.3 -9.2 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.2 -2,-0.3 3,-0.1 0.023 74.1 126.1-106.9 22.3 -7.7 -20.1 -7.5 122 142 A G S S- 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.083 70.4 -52.1 -77.3-179.3 -7.4 -17.2 -10.1 123 143 A N - 0 0 9 51,-2.7 8,-0.2 8,-0.2 -1,-0.2 -0.199 38.7-160.8 -54.4 139.4 -10.1 -15.5 -12.1 124 144 A T + 0 0 45 6,-2.5 -121,-0.5 -3,-0.1 2,-0.4 0.368 67.6 77.7-103.4 2.0 -12.3 -17.8 -14.2 125 145 A K - 0 0 112 5,-0.3 5,-0.1 3,-0.2 -123,-0.1 -0.893 58.0-159.8-114.8 141.6 -13.5 -15.1 -16.6 126 146 A S S S+ 0 0 54 -2,-0.4 71,-0.4 72,-0.1 -1,-0.1 0.639 97.3 21.8 -88.4 -20.8 -11.6 -13.5 -19.6 127 147 A S S S+ 0 0 125 69,-0.1 -2,-0.1 0, 0.0 2,-0.0 0.832 130.7 27.6-102.0 -50.5 -13.7 -10.4 -19.8 128 148 A G S S- 0 0 30 -4,-0.0 2,-0.4 2,-0.0 -3,-0.2 0.297 85.0 -95.1 -94.8-156.4 -15.2 -10.1 -16.4 129 149 A T + 0 0 105 -5,-0.1 2,-0.3 -6,-0.1 -3,-0.1 -0.966 41.4 148.5-146.6 125.0 -14.2 -11.2 -12.9 130 150 A S - 0 0 52 -2,-0.4 -6,-2.5 -5,-0.1 -5,-0.3 -0.900 23.6-158.9-153.0 120.1 -15.1 -14.2 -10.9 131 151 A Y - 0 0 119 -2,-0.3 -8,-0.2 -8,-0.2 -9,-0.1 -0.908 17.1-136.8-107.4 126.4 -12.9 -15.8 -8.3 132 152 A P - 0 0 17 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.341 8.9-150.9 -80.8 156.5 -13.5 -19.4 -7.4 133 153 A D S S+ 0 0 73 -2,-0.1 -78,-2.4 -79,-0.1 2,-0.2 0.802 82.3 56.7 -89.3 -34.6 -13.4 -20.8 -3.9 134 154 A V S S- 0 0 34 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.2 -0.602 100.5 -86.9 -97.5 160.8 -12.3 -24.3 -5.0 135 155 A L - 0 0 4 -2,-0.2 -128,-2.0 -129,-0.1 -127,-0.5 -0.416 40.9-153.0 -72.2 136.2 -9.2 -25.2 -6.9 136 156 A K E -BD 6 120B 44 -16,-2.0 -16,-2.3 -130,-0.2 2,-0.3 -0.807 7.7-160.7-111.1 153.1 -9.5 -25.1 -10.7 137 157 A a E -BD 5 119B 2 -132,-2.8 -132,-2.5 -2,-0.3 2,-0.3 -0.917 8.4-170.9-134.2 149.4 -7.4 -27.1 -13.2 138 158 A L E - D 0 118B 7 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.5 -0.972 15.2-147.0-145.0 129.7 -6.6 -26.9 -16.9 139 159 A K E + D 0 117B 105 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.849 36.2 159.1 -92.3 128.3 -4.8 -29.4 -19.1 140 160 A A E - D 0 116B 0 -24,-2.3 -24,-2.3 -2,-0.5 2,-0.2 -0.996 34.5-119.3-151.1 148.3 -2.8 -27.6 -21.7 141 161 A P E - D 0 115B 37 0, 0.0 23,-2.3 0, 0.0 2,-0.2 -0.582 29.1-109.9 -89.1 151.7 0.2 -28.2 -24.0 142 162 A I B -F 163 0B 11 -28,-2.2 -29,-2.7 -31,-0.3 21,-0.3 -0.560 37.7-137.3 -67.8 137.7 3.5 -26.5 -24.1 143 163 A L - 0 0 27 19,-2.8 19,-0.4 -2,-0.2 -31,-0.1 -0.655 25.8 -89.6 -97.5 155.9 3.8 -24.4 -27.3 144 164 A S > - 0 0 45 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.276 31.0-122.6 -59.3 148.1 6.9 -24.1 -29.5 145 165 A D H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 113.2 55.4 -59.4 -38.0 9.3 -21.4 -28.6 146 166 A S H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 109.0 45.4 -64.4 -41.4 8.9 -19.9 -32.1 147 167 A S H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 113.9 50.9 -67.6 -35.1 5.1 -19.6 -31.7 148 168 A e H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.953 111.6 46.2 -62.9 -51.0 5.7 -18.1 -28.2 149 169 A K H < S+ 0 0 121 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.881 112.9 50.5 -60.2 -40.0 8.2 -15.6 -29.5 150 170 A S H < S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.862 108.8 51.7 -69.0 -34.9 5.9 -14.7 -32.4 151 171 A A H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 123.7 28.5 -67.2 -33.5 2.9 -14.2 -30.0 152 172 A Y S >X S- 0 0 1 -4,-1.6 3,-2.0 -5,-0.1 4,-0.6 -0.657 84.8-156.4-130.2 71.4 4.9 -11.8 -27.8 153 173 A P T 34 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.187 77.4 4.1 -54.5 136.1 7.6 -10.0 -29.9 154 174 A G T 34 S+ 0 0 91 -5,-0.1 -4,-0.1 2,-0.1 -5,-0.1 0.515 117.4 80.6 75.9 3.2 10.5 -8.8 -27.9 155 175 A Q T <4 + 0 0 84 -3,-2.0 2,-0.7 -6,-0.2 -1,-0.1 0.562 60.1 89.8-120.7 -19.6 9.3 -10.3 -24.6 156 176 A I < - 0 0 20 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.808 52.1-172.7 -96.6 118.4 10.1 -14.0 -24.4 157 177 A T > - 0 0 42 -2,-0.7 3,-1.7 1,-0.0 -2,-0.0 -0.494 44.1 -96.7 -96.0 174.7 13.4 -14.9 -22.8 158 178 A S T 3 S+ 0 0 91 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.575 122.8 63.1 -65.7 -9.2 15.2 -18.2 -22.6 159 179 A N T 3 S+ 0 0 25 48,-0.0 49,-2.4 51,-0.0 2,-0.3 0.175 98.4 67.3 -99.7 15.9 13.7 -18.4 -19.0 160 180 A M E < - G 0 207B 5 -3,-1.7 2,-0.3 47,-0.3 47,-0.2 -0.949 53.9-177.1-134.1 152.0 10.1 -18.5 -20.3 161 181 A F E - G 0 206B 11 45,-2.1 45,-3.1 -2,-0.3 2,-0.3 -0.980 21.8-126.9-141.8 159.0 7.8 -20.8 -22.2 162 182 A e E + G 0 205B 0 -19,-0.4 -19,-2.8 -2,-0.3 2,-0.3 -0.789 25.6 176.4-101.5 148.6 4.3 -20.5 -23.5 163 183 A A E +FG 142 204B 0 41,-1.9 41,-1.2 -2,-0.3 2,-0.4 -0.984 37.1 49.0-147.0 150.9 1.5 -23.0 -22.9 164 184 A G S S- 0 0 2 -23,-2.3 2,-0.4 -2,-0.3 7,-0.1 -0.979 85.8 -39.0 127.2-143.0 -2.1 -23.1 -23.7 165 184AA Y > - 0 0 50 5,-0.6 3,-1.7 -2,-0.4 5,-0.3 -0.977 27.0-154.1-138.9 113.2 -4.2 -22.6 -26.8 166 185 A L T 3 S+ 0 0 59 -2,-0.4 35,-2.9 1,-0.3 36,-0.1 0.720 94.7 67.2 -63.1 -22.5 -3.8 -19.9 -29.5 167 186 A E T 3 S- 0 0 126 33,-0.2 -1,-0.3 1,-0.2 33,-0.3 0.631 105.7-128.0 -71.9 -13.3 -7.5 -20.0 -30.3 168 187 A G S < S+ 0 0 17 -3,-1.7 31,-0.2 31,-0.3 -1,-0.2 -0.120 74.2 93.1 90.3 170.6 -8.3 -18.5 -26.9 169 188 A G S S+ 0 0 39 29,-2.3 2,-0.4 -3,-0.1 30,-0.1 0.201 77.4 69.7 98.5 -17.1 -10.7 -19.6 -24.2 170 188AA K + 0 0 72 -5,-0.3 -5,-0.6 29,-0.1 2,-0.3 -0.962 63.2 109.0-138.8 115.8 -8.4 -21.7 -22.0 171 189 A D B -A 2 0A 7 -169,-2.0 -169,-2.9 -2,-0.4 2,-0.1 -0.980 62.4 -90.6-168.3 167.0 -5.6 -20.1 -19.9 172 190 A S - 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.430 48.1-173.6 -79.3 171.8 -4.4 -19.2 -16.4 173 191 A f > - 0 0 10 -2,-0.1 3,-2.6 24,-0.1 4,-0.4 -0.902 35.2 -38.2-157.1 176.9 -5.2 -15.8 -15.1 174 192 A Q T 3 S+ 0 0 106 1,-0.3 -51,-2.7 -2,-0.3 -149,-0.1 -0.244 124.6 30.5 -48.1 130.3 -4.8 -13.2 -12.4 175 193 A G T 3 S+ 0 0 18 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.142 102.5 80.7 96.5 -14.6 -4.6 -14.9 -9.0 176 194 A D X + 0 0 0 -3,-2.6 3,-2.1 -56,-0.2 15,-0.3 0.563 63.8 126.3 -87.2 -16.4 -3.1 -18.1 -10.5 177 195 A S T 3 + 0 0 18 -4,-0.4 -151,-2.8 1,-0.3 15,-0.2 -0.107 69.8 23.1 -50.3 140.7 0.4 -16.5 -10.5 178 196 A G T 3 S+ 0 0 0 13,-2.7 -1,-0.3 1,-0.3 -150,-0.2 0.198 97.6 122.0 88.6 -16.2 3.1 -18.5 -8.8 179 197 A G < - 0 0 0 -3,-2.1 12,-2.4 1,-0.1 -1,-0.3 -0.121 62.3 -77.4 -80.2 177.0 1.2 -21.8 -9.2 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.418 20.5-169.3 -84.5 150.2 2.3 -25.0 -10.9 181 199 A V E -EH 118 189B 0 8,-1.9 8,-2.0 -63,-0.2 7,-2.0 -0.977 26.3-172.8-123.7 109.8 2.6 -26.3 -14.4 182 200 A V E -EH 117 187B 14 -65,-2.4 -65,-2.8 -2,-0.4 2,-0.4 -0.921 9.6-177.9-115.3 131.1 3.2 -30.0 -14.0 183 201 A d E > S- H 0 186B 4 3,-2.5 3,-1.7 -2,-0.5 -67,-0.2 -0.993 72.4 -15.2-131.4 121.4 4.1 -32.3 -16.9 184 202 A S T 3 S- 0 0 111 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.855 129.9 -51.6 52.8 38.4 4.6 -36.0 -16.5 185 203 A G T 3 S+ 0 0 39 1,-0.2 -81,-0.6 -79,-0.0 2,-0.4 0.612 116.6 108.7 80.6 11.0 4.9 -35.6 -12.8 186 204 A K E < S-cH 104 183B 71 -3,-1.7 -3,-2.5 -83,-0.1 2,-1.1 -0.951 73.3-118.9-124.6 140.9 7.5 -32.8 -12.9 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.644 45.6 157.6 -76.9 101.1 7.2 -29.1 -12.1 188 210 A Q E + 0 0 15 -7,-2.0 21,-1.7 -2,-1.1 22,-0.5 0.686 55.4 27.8-100.0 -23.1 8.1 -27.6 -15.4 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.9 19,-0.2 2,-0.4 -0.953 52.8-149.4-140.9 163.1 6.5 -24.1 -15.1 190 212 A I E -IH 207 180B 0 17,-0.9 17,-2.3 -2,-0.3 2,-0.2 -0.998 40.7-106.9-126.7 130.8 5.3 -21.4 -12.8 191 213 A V E +I 206 0B 5 -12,-2.4 -13,-2.7 -2,-0.4 15,-0.2 -0.416 56.7 153.7 -57.9 121.6 2.3 -19.2 -13.7 192 214 A S E - 0 0 4 13,-1.6 2,-0.3 1,-0.3 14,-0.2 0.761 44.5 -40.1-121.3 -66.8 4.0 -15.9 -14.7 193 215 A W E +I 205 0B 51 12,-2.2 12,-3.0 -19,-0.0 -1,-0.3 -0.949 41.7 169.4-159.6 176.8 2.2 -13.5 -17.1 194 216 A G - 0 0 23 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.889 48.5 -82.2 176.5 169.0 0.2 -13.0 -20.3 195 217 A S S S- 0 0 57 8,-0.3 4,-0.4 -2,-0.3 7,-0.1 -0.751 95.6 -46.6 -87.3 105.6 -1.8 -10.4 -22.2 196 219 A G S S- 0 0 44 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.369 93.7 -69.2 60.1-150.4 -5.2 -10.5 -20.5 197 220 A f S S- 0 0 6 -71,-0.4 -24,-0.1 -24,-0.1 -28,-0.1 -0.994 103.0 -4.4-140.5 132.3 -6.4 -14.1 -20.0 198 221 A A S S+ 0 0 7 -2,-0.4 -29,-2.3 -26,-0.3 2,-0.3 0.712 85.5 155.7 62.8 25.3 -7.5 -16.6 -22.6 199 221AA Q > - 0 0 84 3,-0.5 3,-2.0 -4,-0.4 -31,-0.3 -0.587 52.9 -92.2 -85.1 146.6 -7.2 -14.2 -25.5 200 222 A K T 3 S+ 0 0 148 1,-0.3 -33,-0.2 -33,-0.3 -34,-0.1 -0.274 109.9 4.3 -56.4 132.9 -6.7 -15.3 -29.0 201 223 A N T 3 S+ 0 0 87 -35,-2.9 -1,-0.3 -36,-0.1 -35,-0.1 0.389 109.5 98.4 68.3 7.9 -3.0 -15.5 -29.9 202 224 A K < - 0 0 59 -3,-2.0 -3,-0.5 -37,-0.2 -4,-0.3 -0.770 54.6-179.5-121.8 72.9 -2.0 -14.6 -26.4 203 225 A P - 0 0 3 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.130 37.0 -82.6 -71.3 170.9 -1.1 -17.7 -24.6 204 226 A G E -G 163 0B 0 -41,-1.2 -41,-1.9 -10,-0.1 2,-0.4 -0.453 38.2-141.8 -69.3 147.7 0.1 -18.0 -21.0 205 227 A V E -GI 162 193B 1 -12,-3.0 -12,-2.2 -43,-0.2 -13,-1.6 -0.929 20.7-171.1-116.1 134.0 3.7 -17.4 -20.3 206 228 A Y E -GI 161 191B 0 -45,-3.1 -45,-2.1 -2,-0.4 2,-0.2 -0.925 29.6-106.2-130.8 143.7 5.4 -19.5 -17.6 207 229 A T E -GI 160 190B 2 -17,-2.3 2,-1.3 -2,-0.3 -17,-0.9 -0.539 37.4-123.3 -70.0 135.0 8.8 -19.5 -15.9 208 230 A K E > - I 0 189B 44 -49,-2.4 3,-1.7 -2,-0.2 4,-0.3 -0.632 28.0-171.3 -88.6 91.3 10.9 -22.3 -17.2 209 231 A V G > S+ 0 0 0 -21,-1.7 3,-2.4 -2,-1.3 4,-0.4 0.776 74.3 70.7 -58.4 -35.9 11.7 -24.2 -14.0 210 232 A c G > S+ 0 0 20 -22,-0.5 3,-0.8 1,-0.3 4,-0.3 0.807 92.6 59.7 -55.6 -27.4 14.2 -26.6 -15.5 211 233 A N G < S+ 0 0 68 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.656 107.4 46.8 -70.0 -15.5 16.7 -23.6 -15.9 212 234 A Y G <> S+ 0 0 7 -3,-2.4 4,-2.9 -4,-0.3 -1,-0.2 0.312 75.8 102.2-111.8 1.9 16.5 -23.1 -12.1 213 235 A V H <> S+ 0 0 22 -3,-0.8 4,-2.8 -4,-0.4 5,-0.2 0.905 84.1 50.8 -60.3 -41.1 17.0 -26.6 -10.6 214 236 A S H > S+ 0 0 95 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.927 113.2 45.2 -59.6 -47.0 20.6 -26.0 -9.8 215 237 A W H > S+ 0 0 32 2,-0.2 4,-2.6 -4,-0.2 5,-0.2 0.911 113.0 50.9 -62.2 -44.2 19.8 -22.7 -8.0 216 238 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.956 112.8 45.1 -58.6 -50.6 16.9 -24.3 -6.2 217 239 A K H X S+ 0 0 134 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.922 115.7 45.4 -63.9 -42.9 18.9 -27.3 -4.9 218 240 A Q H X S+ 0 0 106 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.891 112.9 51.4 -69.8 -37.0 21.9 -25.2 -3.9 219 241 A T H >< S+ 0 0 6 -4,-2.6 3,-1.0 -5,-0.2 4,-0.4 0.955 111.7 45.9 -63.4 -47.8 19.7 -22.6 -2.1 220 242 A I H >< S+ 0 0 36 -4,-2.7 3,-1.2 -5,-0.2 -1,-0.2 0.913 107.7 59.3 -61.4 -40.1 17.8 -25.3 -0.2 221 243 A A H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.665 115.7 32.7 -64.9 -20.9 21.1 -26.9 0.8 222 244 A S T << 0 0 95 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.179 360.0 360.0-120.6 14.9 22.4 -23.8 2.5 223 245 A N < 0 0 74 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.282 360.0 360.0-134.7 360.0 19.2 -22.2 3.9