==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1O . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9319.0 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 . 74 33.2 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 . 23 10.3 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 . 0 0.0 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 . 5 1 3 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,-0.4 0.000 360.0 360.0 360.0 125.4 51.9 14.2 49.0 2 17 A V B +A 171 0A 10 169,-2.8 169,-1.4 1,-0.2 123,-0.1 -0.856 360.0 3.8-102.7 134.2 54.1 14.1 52.1 3 18 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.737 103.3 122.6 67.2 23.2 55.8 10.8 53.1 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.170 54.9-117.0 -99.6-161.7 54.6 9.1 50.0 5 20 A Y E -B 137 0B 91 132,-2.5 132,-3.3 -3,-0.1 2,-0.4 -0.946 33.1 -86.6-139.7 158.5 56.3 7.3 47.1 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.508 35.0-151.9 -66.1 121.2 56.7 7.6 43.3 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.915 36.7-114.6 -61.1 -47.9 53.7 5.9 41.8 8 23 A G > - 0 0 28 127,-0.5 3,-2.0 -3,-0.0 4,-0.3 0.050 48.5 -51.8 113.6 134.2 55.4 5.0 38.6 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.067 119.8 -14.2 -40.8 120.3 54.5 6.3 35.1 10 25 A N T 3 S+ 0 0 32 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.699 89.1 130.1 56.2 28.1 50.8 5.8 34.4 11 26 A T S < S+ 0 0 84 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.663 77.1 47.4 -81.7 -14.4 50.1 3.4 37.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.616 73.1 171.6-122.5 69.0 47.1 5.6 38.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.586 71.2 60.8 -58.0 -14.2 45.5 6.0 34.8 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.602 81.0 105.3 -90.2 -11.4 42.4 7.7 36.2 15 30 A Q E < -J 28 0C 7 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.471 51.4-171.8 -71.5 134.5 44.3 10.6 37.7 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.2 2,-0.5 -0.861 18.9-136.1-126.9 160.7 44.1 14.0 35.9 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.5 -2,-0.3 2,-0.6 -0.981 13.4-144.1-117.7 124.3 45.8 17.3 36.1 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.0 -0.823 25.5-167.4 -88.1 121.3 43.8 20.5 35.9 19 34 A N E +JK 23 47C 25 28,-2.9 28,-2.5 -2,-0.6 4,-0.2 -0.942 30.6 166.2-120.1 129.8 45.9 23.1 34.0 20 37 A S S S- 0 0 29 2,-2.7 3,-0.1 -2,-0.4 26,-0.1 -0.384 96.2 -48.4-129.8 50.2 45.4 26.9 33.6 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.241 141.2 28.4 98.7 -8.4 48.9 27.7 32.3 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.7 0, 0.0 2,-0.4 -0.941 103.0 -82.9-169.6 161.2 50.2 25.6 35.2 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.644 49.6 158.9 -77.5 130.2 48.9 22.7 37.2 24 41 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.552 59.8 6.6-127.1 -15.6 46.6 23.8 40.0 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.978 61.6-125.0-162.4 161.4 44.5 20.8 41.0 26 43 A G E +J 17 0C 2 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.520 28.3 178.6-103.0 178.1 44.1 17.1 40.4 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.967 23.9-114.0-168.3 174.5 40.9 15.2 39.4 28 45 A S E -JL 15 36C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.989 18.7-133.9-130.5 128.3 39.4 11.9 38.5 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.641 22.6 177.3 -76.6 123.4 38.1 10.6 35.1 30 47 A I E - 0 0 19 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.575 69.1 -17.4-102.3 -15.4 34.7 8.9 35.7 31 48 A N E > S- L 0 34C 45 3,-1.1 3,-0.8 70,-0.1 -1,-0.4 -0.932 89.4 -70.8-171.3 175.7 34.1 8.2 32.0 32 49 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.686 129.8 29.1 -54.1 -23.0 35.3 9.4 28.6 33 50 A Q T 3 S+ 0 0 81 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.498 109.8 70.7-118.4 -3.5 33.6 12.8 28.9 34 51 A W E < -LM 31 89C 9 -3,-0.8 -4,-2.8 55,-0.2 -3,-1.1 -0.950 46.4-174.8-129.9 138.9 33.5 13.6 32.6 35 52 A V E -LM 29 88C 0 53,-2.9 53,-3.0 -2,-0.4 2,-0.4 -0.931 13.1-150.7-123.1 140.4 36.0 14.5 35.4 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.939 29.5 147.4-112.6 137.5 35.3 14.9 39.1 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.784 49.8 -63.8-148.0-168.5 37.3 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.2 47,-0.3 -0.692 34.5-131.7 -91.2 142.7 36.9 19.6 44.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.839 106.5 63.4 -59.2 -33.0 34.6 22.6 44.2 40 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.565 92.1 66.1 -70.3 -7.6 37.4 24.8 45.6 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.405 75.0 136.4 -90.2 -1.5 39.4 24.0 42.5 42 59 A Y < + 0 0 138 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.189 21.5 146.2 -52.2 135.9 36.8 25.9 40.4 43 60 A K - 0 0 58 3,-0.0 2,-0.4 0, 0.0 3,-0.2 -0.966 46.8-111.3-164.6 160.1 38.3 28.3 37.8 44 61 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.818 94.3 35.5-100.4 140.1 37.5 29.5 34.4 45 62 A G S S+ 0 0 62 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.969 75.5 173.7 83.4 60.9 39.7 28.4 31.5 46 63 A I - 0 0 9 -3,-0.2 21,-2.5 21,-0.2 2,-0.5 -0.867 19.9-167.2-108.5 131.1 40.6 24.8 32.4 47 64 A Q E -KN 19 66C 52 -28,-2.5 -28,-2.9 -2,-0.5 2,-0.5 -0.967 18.1-142.8-112.4 127.8 42.5 22.3 30.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.8 -2,-0.5 2,-0.6 -0.796 11.8-157.3 -92.8 128.0 42.3 18.7 31.5 49 66 A R E -KN 17 64C 51 -32,-2.5 -32,-2.1 -2,-0.5 3,-0.3 -0.953 12.9-176.7-112.8 119.3 45.5 16.8 31.1 50 67 A L E + N 0 63C 3 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.673 59.8 35.0-108.3 164.4 45.3 13.0 31.0 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.811 84.7 156.1 61.4 33.9 47.9 10.3 30.7 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.611 23.6 145.9 -97.5 147.4 50.3 12.3 32.8 53 71 A D S S+ 0 0 15 1,-0.5 2,-0.7 4,-0.3 82,-0.3 0.279 80.7 32.4-134.1 -77.5 53.3 11.4 35.0 54 72 A N S > S- 0 0 31 80,-0.2 3,-0.5 3,-0.2 -1,-0.5 -0.785 71.9-161.8 -86.3 117.5 55.9 14.1 34.8 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.576 85.3 53.2 -79.0 -7.6 53.8 17.3 34.3 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.502 104.7 59.9-102.0 -8.1 56.7 19.4 33.0 57 75 A V S < S- 0 0 72 -3,-0.5 2,-0.8 76,-0.2 -4,-0.3 -0.978 76.8-131.5-127.2 134.3 57.8 17.0 30.2 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.756 33.2 171.7 -81.1 108.8 55.8 15.7 27.2 59 77 A E - 0 0 100 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.507 50.8 -98.8 -99.2 -10.9 56.4 12.0 27.5 60 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.188 103.1 76.5 117.3 -19.8 54.0 10.6 24.8 61 79 A N + 0 0 58 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.255 66.4 119.6-110.4 16.6 50.9 9.3 26.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.452 42.1-164.4 -86.3 153.5 49.1 12.6 27.3 63 81 A Q E -N 50 0C 38 -13,-1.7 -13,-3.0 -2,-0.1 2,-0.6 -0.995 7.2-161.9-134.4 117.1 45.8 13.9 26.1 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.938 19.4 166.8-105.0 114.2 45.1 17.6 26.5 65 83 A I E -N 48 0C 16 -17,-2.8 -17,-3.4 -2,-0.6 2,-0.1 -0.994 30.1-126.7-131.2 136.1 41.4 18.4 26.3 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.3 2,-0.4 -0.484 27.1-112.8 -80.1 150.3 39.6 21.6 27.2 67 85 A A E -O 90 0C 22 -21,-2.5 23,-0.3 23,-0.2 -21,-0.2 -0.681 21.6-166.9 -81.7 131.4 36.6 21.7 29.6 68 86 A S E S+ 0 0 59 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.766 72.2 0.4 -87.9 -31.4 33.3 22.6 28.0 69 87 A K E -O 89 0C 83 20,-1.0 20,-2.5 2,-0.0 2,-0.4 -0.984 58.2-151.3-159.4 147.5 31.5 23.2 31.2 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.969 8.7-168.6-121.5 137.1 32.0 23.1 35.0 71 89 A I E -O 87 0C 36 16,-2.7 16,-2.6 -2,-0.4 2,-0.3 -0.937 5.4-161.4-130.7 109.0 29.3 22.4 37.5 72 90 A V E -O 86 0C 45 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.650 42.3 -86.3 -85.4 144.5 30.0 23.0 41.2 73 91 A H > - 0 0 24 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.224 35.6-125.7 -49.9 135.2 27.7 21.2 43.7 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 108.3 44.5 -57.2 -24.7 24.5 23.4 44.3 75 93 A S T 3 S+ 0 0 70 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.125 77.5 142.8-108.1 19.4 25.2 23.3 48.1 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.428 34.9-159.0 -63.5 129.6 28.9 24.0 48.1 77 95 A N B >>> -P 82 0D 68 5,-2.2 4,-3.1 -2,-0.2 3,-0.8 -0.912 7.1-165.8-114.3 103.5 29.8 26.3 51.1 78 96 A S T 345S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.740 86.5 59.5 -61.1 -23.4 33.2 28.0 50.5 79 97 A N T 345S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.859 124.2 16.5 -75.1 -33.4 33.4 29.0 54.1 80 98 A T T <45S- 0 0 73 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.572 94.5-127.1-113.3 -15.9 33.4 25.4 55.5 81 99 A L T ><5 + 0 0 35 -4,-3.1 3,-0.9 1,-0.3 2,-0.3 0.701 52.7 156.3 71.6 22.1 34.2 23.4 52.4 82 100 A N B 3 < +P 77 0D 33 -5,-0.7 -5,-2.2 1,-0.3 -1,-0.3 -0.619 67.9 19.4 -76.8 136.7 31.1 21.3 52.9 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.843 81.2 176.4 68.9 36.9 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.1 -1,-0.2 -0.475 32.8 113.7 -75.0 77.7 33.4 20.3 48.1 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.995 36.0 177.0-152.2 142.7 32.7 18.6 44.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.987 18.9-140.0-145.8 147.8 32.5 19.7 41.1 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-2.7 -2,-0.3 2,-0.4 -0.913 14.0-163.3-112.6 140.5 32.0 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.9 -2,-0.4 2,-0.4 -0.990 5.8-151.7-126.4 128.6 33.9 18.9 34.6 89 107 A K E -MO 34 69C 40 -20,-2.5 -21,-2.8 -2,-0.4 -20,-1.0 -0.844 16.5-129.0-102.8 138.7 32.9 17.9 31.1 90 108 A L E - O 0 67C 2 -57,-2.5 -23,-0.2 -2,-0.4 3,-0.1 -0.569 12.2-130.3 -83.9 143.0 35.4 17.5 28.3 91 109 A K S S+ 0 0 151 -25,-3.0 2,-0.3 -2,-0.2 -1,-0.1 0.830 97.4 15.6 -60.0 -32.5 34.9 19.3 24.9 92 110 A S S S- 0 0 69 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.972 97.2 -94.0-140.3 150.4 35.6 16.0 23.2 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.366 39.8-121.6 -66.0 144.2 35.7 12.4 24.6 94 112 A A - 0 0 8 -62,-2.7 2,-0.8 -63,-0.1 -1,-0.1 -0.493 22.6-113.9 -82.3 154.2 39.0 11.1 25.8 95 113 A S - 0 0 82 -2,-0.2 2,-0.3 6,-0.0 -1,-0.0 -0.844 31.9-142.0 -91.0 112.1 40.4 7.9 24.2 96 114 A L + 0 0 86 -2,-0.8 2,-0.3 3,-0.1 5,-0.2 -0.604 38.3 144.6 -78.2 133.5 40.5 5.3 27.0 97 115 A N B > -Q 100 0E 64 3,-2.4 3,-1.0 -2,-0.3 0, 0.0 -0.834 66.4 -69.3-149.3-172.1 43.5 3.0 26.9 98 116 A S T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.843 133.7 39.8 -58.0 -34.8 45.8 1.3 29.3 99 117 A R T 3 S+ 0 0 106 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.469 117.9 48.4 -94.5 -4.3 47.3 4.6 30.4 100 118 A V B < S+Q 97 0E 0 -3,-1.0 -3,-2.4 -50,-0.1 2,-0.3 -0.905 74.4 148.9-138.3 103.3 44.1 6.6 30.5 101 119 A A - 0 0 31 -88,-1.2 -72,-0.3 -2,-0.4 2,-0.2 -0.934 40.6-115.2-136.5 159.3 41.2 4.9 32.3 102 120 A S - 0 0 53 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.530 23.6-130.2 -91.9 159.2 38.1 5.9 34.3 103 121 A I - 0 0 16 -74,-2.5 2,-0.1 -89,-0.2 83,-0.1 -0.891 25.1-115.5-110.4 140.7 37.5 5.1 38.0 104 122 A S B -c 186 0B 62 81,-0.6 83,-2.6 -2,-0.4 -73,-0.1 -0.465 22.2-122.8 -75.7 147.5 34.3 3.5 39.3 105 123 A L - 0 0 31 81,-0.2 83,-0.1 -2,-0.1 2,-0.1 -0.539 39.4 -95.9 -84.3 153.6 31.9 5.3 41.6 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.383 17.7-157.0 -71.6 150.0 31.1 3.5 44.9 107 125 A T S S+ 0 0 130 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.663 86.1 2.0 -94.1 -22.0 28.0 1.3 45.3 108 127 A S S S- 0 0 80 -3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.945 89.2 -89.0-154.3 164.7 28.2 1.9 49.1 109 128 A c - 0 0 57 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.396 42.1-119.9 -75.9 158.2 30.4 3.9 51.5 110 129 A A - 0 0 34 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.553 24.7-121.7 -93.9 166.8 33.6 2.3 52.9 111 130 A S > - 0 0 83 -2,-0.2 3,-1.7 1,-0.1 31,-0.3 -0.670 35.9 -79.9-107.1 163.4 34.2 1.8 56.6 112 132 A A T 3 S+ 0 0 56 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.283 115.3 37.8 -58.7 143.5 37.0 3.0 59.0 113 133 A G T 3 S+ 0 0 51 29,-2.8 -1,-0.2 1,-0.4 30,-0.1 0.057 81.1 130.5 101.0 -26.4 40.1 0.9 58.7 114 134 A T < - 0 0 31 -3,-1.7 28,-2.0 27,-0.1 2,-0.4 -0.406 58.1-126.3 -63.7 135.2 39.8 0.4 54.9 115 135 A Q E -D 141 0B 101 26,-0.2 69,-0.5 -3,-0.1 2,-0.3 -0.722 31.0-175.1 -87.1 135.2 43.1 1.2 53.1 116 136 A d E -DE 140 183B 5 24,-2.5 24,-2.2 -2,-0.4 2,-0.5 -0.828 24.0-126.1-126.8 163.9 43.0 3.7 50.3 117 137 A L E -DE 139 182B 41 65,-2.6 65,-2.3 -2,-0.3 2,-0.4 -0.960 24.1-173.0-113.4 121.1 45.4 5.1 47.7 118 138 A I E +DE 138 181B 0 20,-2.9 20,-1.9 -2,-0.5 2,-0.3 -0.916 11.0 179.3-112.3 140.5 45.7 8.9 47.5 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.973 11.6 120.7-144.4 156.7 47.8 10.5 44.7 120 140 A G E -D 136 0B 2 16,-2.1 16,-2.3 -2,-0.3 56,-0.2 -0.969 58.3-100.7 170.1 176.4 48.9 13.9 43.3 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.032 72.7 130.6-108.9 24.9 51.6 16.4 42.3 122 142 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.174 68.5 -58.4 -75.8 174.7 51.3 18.4 45.5 123 143 A N - 0 0 8 51,-2.7 8,-0.2 8,-0.2 -1,-0.2 -0.127 38.4-158.5 -52.9 138.1 54.0 19.7 47.9 124 144 A T + 0 0 36 6,-2.4 -121,-0.5 -3,-0.1 2,-0.4 0.325 64.9 85.7-103.9 6.4 56.1 16.9 49.5 125 145 A K > - 0 0 108 3,-0.3 3,-0.6 5,-0.2 5,-0.1 -0.930 54.2-163.6-115.3 130.7 57.3 18.9 52.6 126 146 A S T 3 S+ 0 0 61 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.901 98.5 25.3 -73.0 -42.9 55.4 19.3 55.9 127 147 A S T 3 S+ 0 0 111 69,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.682 130.3 17.4-121.8 72.1 57.5 22.3 56.9 128 148 A G S < S- 0 0 39 -3,-0.6 2,-0.4 -2,-0.4 -3,-0.3 -0.954 83.0 -82.6 157.4-170.3 58.7 23.7 53.6 129 149 A T + 0 0 114 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.985 45.8 141.9-137.9 124.1 58.0 23.8 49.9 130 150 A S - 0 0 57 -2,-0.4 -6,-2.4 -5,-0.1 -5,-0.2 -0.763 28.3-157.7-159.6 107.2 59.2 21.3 47.3 131 151 A Y - 0 0 116 -2,-0.2 -8,-0.2 -8,-0.2 -9,-0.1 -0.814 12.0-142.3 -95.3 122.5 56.9 20.3 44.4 132 152 A P - 0 0 21 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.403 3.7-150.0 -76.2 157.8 57.5 17.0 42.6 133 153 A D S S+ 0 0 69 -2,-0.1 -78,-2.4 2,-0.1 2,-0.3 0.596 78.7 65.5-102.2 -14.2 57.1 16.8 38.9 134 154 A V S S- 0 0 39 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.791 98.9 -88.5-108.2 152.5 56.1 13.2 38.9 135 155 A L - 0 0 5 -82,-0.3 -128,-1.9 -2,-0.3 -127,-0.5 -0.325 41.0-155.4 -62.4 131.7 53.0 11.6 40.5 136 156 A K E -BD 6 120B 43 -16,-2.3 -16,-2.1 -130,-0.2 2,-0.3 -0.844 5.2-156.8-110.6 147.6 53.3 10.7 44.1 137 157 A a E -BD 5 119B 2 -132,-3.3 -132,-2.5 -2,-0.3 2,-0.3 -0.848 8.2-172.5-122.9 157.9 51.2 8.0 45.9 138 158 A L E - D 0 118B 4 -20,-1.9 -20,-2.9 -2,-0.3 2,-0.5 -0.957 14.7-148.1-153.1 129.1 50.2 7.3 49.5 139 159 A K E + D 0 117B 114 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.872 33.3 158.1 -98.5 128.7 48.4 4.4 51.1 140 160 A A E - D 0 116B 0 -24,-2.2 -24,-2.5 -2,-0.5 2,-0.2 -0.990 34.8-120.9-152.5 143.5 46.4 5.5 54.1 141 161 A P E - D 0 115B 21 0, 0.0 23,-2.0 0, 0.0 2,-0.4 -0.509 31.0-107.2 -86.9 154.0 43.4 4.1 56.1 142 162 A I B -F 163 0B 15 -28,-2.0 -29,-2.8 -31,-0.3 21,-0.3 -0.654 41.9-137.5 -74.4 130.9 40.1 5.9 56.6 143 163 A L - 0 0 27 19,-2.5 19,-0.3 -2,-0.4 -29,-0.1 -0.509 24.3 -88.8 -90.6 161.9 40.0 7.0 60.2 144 164 A S > - 0 0 42 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.366 33.4-120.2 -66.9 148.7 37.0 6.7 62.6 145 165 A D H > S+ 0 0 75 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.805 113.9 58.2 -60.7 -25.7 34.7 9.7 62.6 146 166 A S H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 106.8 45.8 -71.1 -41.3 35.4 10.2 66.3 147 167 A S H > S+ 0 0 39 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.913 115.4 49.5 -64.9 -40.7 39.1 10.6 65.6 148 168 A e H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.3 0.952 113.4 43.6 -63.0 -52.0 38.2 12.9 62.8 149 169 A K H < S+ 0 0 107 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.772 109.3 57.4 -67.3 -28.8 35.8 15.1 64.8 150 170 A S H < S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 108.3 47.5 -68.6 -36.4 38.2 15.2 67.8 151 171 A A H < S+ 0 0 17 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.848 125.7 28.6 -71.9 -36.7 40.9 16.7 65.6 152 172 A Y S >X S- 0 0 2 -4,-1.6 3,-2.0 -5,-0.1 4,-0.7 -0.628 84.3-157.4-127.3 74.8 38.5 19.3 64.1 153 173 A P T 34 S- 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.270 77.2 -2.1 -56.4 125.5 35.7 20.1 66.6 154 174 A G T 34 S+ 0 0 90 -5,-0.1 -4,-0.1 2,-0.1 -5,-0.1 0.550 115.3 87.2 71.0 11.5 32.6 21.5 65.0 155 175 A Q T <4 + 0 0 103 -3,-2.0 2,-0.5 -6,-0.2 -1,-0.1 0.538 63.8 87.3-115.1 -13.7 34.1 21.4 61.5 156 176 A I < - 0 0 20 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.813 52.8-177.5 -96.0 124.5 33.3 17.9 60.3 157 177 A T > - 0 0 44 -2,-0.5 3,-1.5 4,-0.0 -2,-0.0 -0.539 46.4 -94.0-107.4-179.6 29.9 17.2 58.6 158 178 A S T 3 S+ 0 0 89 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.608 121.2 66.2 -71.5 -10.5 28.5 13.9 57.3 159 179 A N T 3 S+ 0 0 29 48,-0.1 49,-2.6 51,-0.0 2,-0.3 0.258 98.2 65.5 -95.2 13.9 29.8 14.8 53.9 160 180 A M E < - G 0 207B 4 -3,-1.5 2,-0.3 47,-0.2 47,-0.2 -0.927 53.6-179.0-135.8 156.3 33.4 14.5 55.1 161 181 A F E - G 0 206B 11 45,-1.7 45,-3.0 -2,-0.3 2,-0.3 -0.974 23.4-125.4-150.0 152.4 35.8 11.8 56.4 162 182 A e E - G 0 205B 0 -19,-0.3 -19,-2.5 -2,-0.3 2,-0.3 -0.788 24.8-179.8-100.4 148.6 39.4 11.8 57.6 163 183 A A E +FG 142 204B 0 41,-1.8 41,-1.3 -2,-0.3 2,-0.3 -0.991 39.2 50.2-146.3 141.7 42.2 9.6 56.2 164 184 A G S S- 0 0 2 -23,-2.0 2,-0.4 -2,-0.3 7,-0.1 -0.978 86.4 -42.6 136.8-147.9 45.8 9.3 57.1 165 184AA Y > - 0 0 49 5,-0.7 3,-2.0 -2,-0.3 37,-0.3 -0.982 26.2-151.3-131.6 124.6 47.9 8.9 60.3 166 185 A L T 3 S+ 0 0 53 -2,-0.4 35,-3.1 1,-0.3 36,-0.2 0.741 99.5 64.5 -63.5 -19.7 47.3 10.7 63.6 167 186 A E T 3 S- 0 0 143 1,-0.2 -1,-0.3 33,-0.2 33,-0.2 0.593 104.1-137.9 -79.1 -9.8 51.0 10.3 64.3 168 187 A G < + 0 0 11 -3,-2.0 2,-0.5 31,-0.3 -1,-0.2 -0.397 67.5 106.5 84.8-167.3 51.7 12.6 61.3 169 188 A G S S+ 0 0 44 29,-2.5 2,-0.4 28,-0.1 30,-0.1 -0.081 79.3 59.2 87.0 -39.1 54.4 12.2 58.7 170 188AA K + 0 0 92 -2,-0.5 -5,-0.7 -5,-0.2 2,-0.3 -0.995 65.6 117.2-129.2 130.0 52.2 11.1 55.8 171 189 A D B -A 2 0A 4 -169,-1.4 -169,-2.8 -2,-0.4 2,-0.1 -0.968 60.4 -89.1-174.2 169.3 49.3 13.2 54.4 172 190 A S - 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.371 49.2-174.6 -81.4 175.7 48.0 15.0 51.3 173 191 A f > - 0 0 7 -2,-0.1 3,-2.5 24,-0.1 4,-0.4 -0.932 35.2 -38.4-160.4-179.8 49.1 18.6 50.8 174 192 A Q T 3 S+ 0 0 111 -2,-0.3 -51,-2.7 1,-0.3 -149,-0.1 -0.254 124.5 30.1 -50.6 128.4 48.8 21.8 48.8 175 193 A G T 3 S+ 0 0 16 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.147 99.2 84.6 105.0 -19.6 48.5 20.9 45.1 176 194 A D X + 0 0 2 -3,-2.5 3,-2.3 -56,-0.2 15,-0.3 0.602 61.5 132.6 -87.0 -14.8 46.9 17.6 45.7 177 195 A S T 3 S+ 0 0 23 -4,-0.4 -151,-3.4 1,-0.3 15,-0.2 0.032 70.2 16.6 -38.6 137.4 43.5 19.2 45.9 178 196 A G T 3 S+ 0 0 0 13,-2.5 -1,-0.3 1,-0.2 -150,-0.1 0.237 96.2 133.9 80.7 -14.6 40.7 17.6 43.9 179 197 A G < - 0 0 0 -3,-2.3 12,-2.2 1,-0.1 -1,-0.2 -0.160 57.6 -89.9 -66.3 164.4 42.7 14.4 43.6 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.4 -0.343 20.7-163.9 -80.2 152.0 41.4 10.9 44.1 181 199 A V E -EH 118 189B 0 8,-1.6 7,-2.4 -63,-0.2 8,-2.0 -0.944 22.8-171.9-131.1 100.0 41.1 8.7 47.2 182 200 A V E +EH 117 187B 14 -65,-2.3 -65,-2.6 -2,-0.4 2,-0.4 -0.893 9.3 176.8-104.6 126.8 40.5 5.2 45.9 183 201 A d E > S-EH 116 186B 1 3,-2.1 3,-1.6 -2,-0.5 -67,-0.2 -0.997 71.7 -6.7-130.6 128.0 39.6 2.3 48.2 184 202 A S T 3 S- 0 0 108 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.815 129.7 -56.7 58.7 34.2 38.8 -1.2 47.1 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.6 -3,-0.0 2,-0.3 0.605 116.4 104.9 76.1 12.1 38.8 -0.0 43.4 186 204 A K E < S-cH 104 183B 66 -3,-1.6 -3,-2.1 -83,-0.1 2,-0.9 -0.902 78.4-110.1-124.4 153.4 36.2 2.7 43.9 187 209 A L E + H 0 182B 0 -83,-2.6 -5,-0.2 -2,-0.3 3,-0.1 -0.733 47.4 158.5 -81.6 106.6 36.4 6.5 44.2 188 210 A Q E + 0 0 13 -7,-2.4 21,-1.4 -2,-0.9 22,-0.5 0.682 55.1 24.2-103.6 -23.2 35.6 7.1 47.8 189 211 A G E -IH 208 181B 0 -8,-2.0 -8,-1.6 19,-0.2 2,-0.4 -0.950 50.5-148.8-146.0 165.0 37.2 10.5 48.3 190 212 A I E -IH 207 180B 2 17,-0.7 17,-2.1 -2,-0.3 2,-0.3 -0.998 41.9-106.8-130.3 127.4 38.4 13.8 46.9 191 213 A V E +I 206 0B 6 -12,-2.2 -13,-2.5 -2,-0.4 15,-0.2 -0.438 56.3 155.8 -56.2 115.6 41.3 15.7 48.5 192 214 A S E - 0 0 6 13,-1.7 2,-0.3 1,-0.3 14,-0.2 0.818 43.9 -37.0-111.2 -70.7 39.6 18.6 50.2 193 215 A W E +I 205 0B 44 12,-1.5 12,-3.0 -16,-0.0 -1,-0.3 -0.871 45.2 162.9-151.2-178.6 41.2 20.3 53.2 194 216 A G - 0 0 34 -2,-0.3 2,-0.6 10,-0.2 10,-0.1 -0.961 46.5 -87.5 177.7-176.2 43.3 19.9 56.3 195 217 A S S S- 0 0 57 8,-0.3 4,-0.3 -2,-0.3 -2,-0.0 -0.916 89.2 -45.6-119.2 98.8 45.4 21.9 58.8 196 219 A G S S- 0 0 44 -2,-0.6 2,-0.4 2,-0.1 -69,-0.1 -0.304 87.6 -70.2 72.3-160.3 48.9 22.0 57.4 197 220 A f S S- 0 0 3 -71,-0.4 -28,-0.1 -3,-0.1 -24,-0.1 -0.998 100.6 -7.8-137.9 131.4 50.4 18.8 56.1 198 221 A A S S+ 0 0 10 -2,-0.4 -29,-2.5 -26,-0.3 2,-0.2 0.700 85.8 156.2 61.2 24.9 51.5 15.6 57.9 199 221AA Q B > -R 202 0F 80 3,-0.5 3,-2.0 -4,-0.3 -31,-0.3 -0.565 52.5 -97.2 -83.5 142.9 51.0 17.3 61.3 200 222 A K T 3 S+ 0 0 151 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.330 108.6 5.8 -57.7 136.2 50.4 15.1 64.4 201 223 A N T 3 S+ 0 0 84 -35,-3.1 -1,-0.3 -36,-0.1 -35,-0.1 0.591 109.5 97.7 62.8 14.8 46.7 14.9 65.2 202 224 A K B < +R 199 0F 66 -3,-2.0 -3,-0.5 -37,-0.3 -7,-0.3 -0.605 52.7 174.9-131.5 71.2 45.8 16.8 62.0 203 225 A P - 0 0 2 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.150 39.3 -86.4 -70.0 169.5 44.9 14.2 59.3 204 226 A G E -G 163 0B 1 -41,-1.3 -41,-1.8 -10,-0.1 2,-0.4 -0.493 36.3-139.2 -78.3 152.1 43.6 15.1 55.8 205 227 A V E -GI 162 193B 0 -12,-3.0 -13,-1.7 -43,-0.2 -12,-1.5 -0.918 21.0-168.3-113.6 136.4 39.8 15.7 55.3 206 228 A Y E -GI 161 191B 0 -45,-3.0 -45,-1.7 -2,-0.4 2,-0.3 -0.922 28.4-105.5-129.2 150.7 38.1 14.4 52.2 207 229 A T E -GI 160 190B 2 -17,-2.1 2,-1.4 -2,-0.3 -17,-0.7 -0.568 36.8-124.8 -71.2 131.5 34.8 14.8 50.4 208 230 A K E > - I 0 189B 51 -49,-2.6 3,-1.7 -2,-0.3 4,-0.2 -0.655 28.2-172.8 -83.5 91.5 32.7 11.7 51.0 209 231 A V G > S+ 0 0 0 -2,-1.4 3,-2.5 -21,-1.4 4,-0.5 0.786 73.2 71.7 -55.4 -36.8 31.9 10.7 47.4 210 232 A c G > S+ 0 0 20 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.752 92.9 59.3 -55.6 -23.0 29.4 7.9 48.2 211 233 A N G < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.611 106.9 46.8 -80.2 -12.5 26.9 10.6 49.3 212 234 A Y G <> S+ 0 0 6 -3,-2.5 4,-3.0 -4,-0.2 5,-0.2 0.345 75.4 105.4-112.3 5.8 27.0 12.2 45.9 213 235 A V H <> S+ 0 0 24 -3,-0.5 4,-2.8 -4,-0.5 5,-0.2 0.909 84.3 46.6 -54.0 -48.5 26.6 9.2 43.5 214 236 A S H > S+ 0 0 86 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 113.6 48.4 -62.7 -41.1 22.9 10.0 42.7 215 237 A W H > S+ 0 0 44 2,-0.2 4,-2.8 -4,-0.2 5,-0.2 0.934 112.3 49.6 -64.0 -46.3 23.7 13.7 42.1 216 238 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.957 113.0 46.1 -56.9 -52.8 26.7 12.7 39.9 217 239 A K H X S+ 0 0 129 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.898 115.3 45.8 -59.0 -44.7 24.6 10.3 37.8 218 240 A Q H X S+ 0 0 134 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.917 113.8 48.9 -65.6 -44.7 21.7 12.6 37.4 219 241 A T H < S+ 0 0 20 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.899 111.3 47.3 -64.8 -43.1 23.9 15.6 36.5 220 242 A I H >< S+ 0 0 40 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.801 109.9 54.0 -71.2 -27.3 26.0 13.9 33.8 221 243 A A H 3< S+ 0 0 85 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.711 112.1 45.2 -76.5 -22.9 22.9 12.3 32.1 222 244 A S T 3< 0 0 97 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.251 360.0 360.0-104.1 12.5 21.4 15.8 31.8 223 245 A N < 0 0 73 -3,-0.7 -154,-0.0 -4,-0.2 0, 0.0 -0.799 360.0 360.0-141.9 360.0 24.4 17.7 30.5