==== 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 1K1I . 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) . 9235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 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 . 72 32.3 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 0 1 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 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.8 -7.9 8.8 19.0 2 17 A V B +A 171 0A 8 169,-3.6 169,-2.0 1,-0.2 123,-0.1 -0.872 360.0 3.1-100.9 130.6 -10.1 9.6 15.9 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.794 101.1 123.5 69.1 32.6 -11.9 6.8 14.2 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.196 55.1-113.0-106.8-160.0 -10.7 4.1 16.6 5 20 A Y E -B 137 0B 95 132,-2.5 132,-3.3 -2,-0.1 2,-0.5 -0.898 36.7 -87.3-135.5 161.0 -12.5 1.5 18.8 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.609 35.7-152.2 -71.7 117.5 -12.9 0.9 22.5 7 22 A a - 0 0 17 128,-1.7 -1,-0.2 -2,-0.5 129,-0.1 0.919 35.5-117.0 -55.4 -53.5 -9.8 -1.1 23.5 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.052 44.7 -53.6 117.2 140.0 -11.5 -2.8 26.4 9 24 A A T 3 S- 0 0 46 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.209 118.8 -11.9 -50.3 121.0 -10.5 -2.6 30.1 10 25 A N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.674 90.8 125.8 60.9 27.1 -6.8 -3.3 30.7 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.557 76.2 49.4 -87.5 -8.3 -6.1 -4.8 27.2 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.619 74.4 175.1-127.6 69.4 -3.2 -2.3 26.8 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.550 72.2 56.6 -54.8 -16.8 -1.5 -3.0 30.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.475 80.6 109.7 -97.3 -4.7 1.5 -0.8 29.5 15 30 A Q E < -J 28 0C 7 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.530 47.3-173.8 -75.0 133.5 -0.5 2.4 28.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.891 18.8-139.2-126.1 157.4 -0.3 5.1 31.5 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.6 -2,-0.3 2,-0.7 -0.969 15.2-140.4-115.3 129.5 -2.1 8.4 32.0 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.0 -0.857 26.0-167.3 -92.4 119.4 -0.0 11.4 33.1 19 34 A N E +JK 23 47C 22 28,-3.0 28,-3.0 -2,-0.7 4,-0.2 -0.903 30.9 165.7-115.1 136.3 -2.1 13.3 35.6 20 37 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.331 97.3 -47.9-136.2 45.3 -1.6 16.8 37.1 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.216 140.9 27.6 102.5 -10.5 -5.1 17.1 38.5 22 39 A Y S S- 0 0 139 -4,-0.1 -2,-2.3 0, 0.0 2,-0.3 -0.931 102.3 -83.1-170.0 157.3 -6.4 15.9 35.2 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.589 50.4 158.1 -71.7 129.8 -5.1 13.7 32.3 24 41 A F E + 0 0 25 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.536 60.9 6.9-128.0 -15.7 -2.9 15.7 30.0 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.974 62.6-125.0-161.3 163.2 -0.7 13.1 28.2 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.473 26.5 177.8-103.7-177.0 -0.2 9.3 27.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.963 24.4-114.5-174.2 170.5 2.9 7.3 28.4 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.986 19.3-131.7-126.5 134.9 4.3 3.7 28.3 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.8 -2,-0.4 6,-0.2 -0.742 25.9 174.8 -82.7 119.3 5.6 1.6 31.2 30 47 A I E - 0 0 16 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.609 68.2 -9.9-100.5 -16.0 9.0 0.2 30.2 31 48 A N E > S- L 0 34C 43 3,-1.1 3,-1.1 70,-0.1 -1,-0.3 -0.940 91.7 -73.9-166.9 171.0 9.8 -1.5 33.5 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.634 128.6 23.8 -52.4 -16.4 8.5 -1.4 37.1 33 50 A Q T 3 S+ 0 0 53 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.395 108.9 75.3-134.5 8.2 9.8 2.1 37.8 34 51 A W E < -LM 31 89C 7 -3,-1.1 -4,-2.4 55,-0.2 -3,-1.1 -0.977 47.3-173.5-132.4 135.7 10.2 3.9 34.5 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.895 12.1-150.2-121.3 145.0 7.8 5.5 32.1 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.964 29.1 150.0-118.1 133.3 8.5 6.9 28.6 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.0 -2,-0.4 2,-0.4 -0.704 49.6 -67.3-141.0-165.3 6.5 9.8 27.2 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.2 -0.808 33.9-132.3 -97.5 138.3 6.9 12.8 24.9 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.813 106.4 64.3 -57.6 -31.9 9.1 15.7 25.9 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.541 94.4 62.7 -71.3 -2.5 6.4 18.2 25.0 41 58 A b G < S+ 0 0 4 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.482 75.8 134.8 -94.6 -8.2 4.4 16.6 27.8 42 59 A Y < + 0 0 136 -3,-2.0 2,-0.3 -4,-0.2 -3,-0.0 -0.133 21.8 145.0 -46.7 134.4 7.0 17.8 30.3 43 60 A K - 0 0 56 3,-0.0 2,-0.3 0, 0.0 3,-0.3 -0.948 45.7-111.7-166.3 155.1 5.4 19.3 33.4 44 61 A S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.705 93.5 36.9 -96.3 153.4 6.2 19.4 37.1 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.953 77.3 171.5 73.3 50.2 4.0 17.6 39.7 46 63 A I - 0 0 9 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.793 20.0-163.6 -97.9 131.4 3.2 14.6 37.5 47 64 A Q E -KN 19 66C 51 -28,-3.0 -28,-3.0 -2,-0.4 2,-0.5 -0.970 15.8-140.2-112.4 128.6 1.4 11.6 39.0 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.5 2,-0.6 -0.792 12.9-158.7 -92.0 125.6 1.5 8.5 36.9 49 66 A R E -KN 17 64C 52 -32,-2.6 -32,-1.9 -2,-0.5 3,-0.3 -0.923 12.9-178.4-110.6 114.8 -1.7 6.5 36.7 50 67 A L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.656 60.3 36.7-105.9 163.3 -1.4 2.8 35.8 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.768 84.9 159.6 67.4 27.1 -4.1 0.1 35.4 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.545 22.9 141.2 -89.7 144.8 -6.4 2.7 33.8 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.182 81.3 30.5-134.0 -86.1 -9.5 2.3 31.7 54 72 A N S > S- 0 0 31 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.691 72.3-163.1 -80.1 111.6 -12.1 4.8 32.7 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.519 85.0 53.3 -74.2 -6.4 -10.0 7.7 33.9 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.424 105.4 58.8-106.1 -1.1 -12.9 9.3 35.8 57 75 A V S < S- 0 0 75 -3,-0.8 2,-0.9 76,-0.2 -4,-0.3 -0.993 77.7-129.8-132.9 134.7 -13.9 6.3 37.8 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.741 33.4 171.0 -81.2 108.8 -12.0 4.2 40.2 59 77 A E - 0 0 98 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.529 51.6 -99.1 -99.6 -9.9 -12.6 0.7 38.9 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.278 103.1 78.8 114.5 -13.7 -10.2 -1.4 41.0 61 79 A N + 0 0 62 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.270 65.9 121.4-113.4 16.7 -7.0 -2.0 39.0 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.448 39.7-169.0 -86.3 152.8 -5.3 1.4 39.4 63 81 A Q E -N 50 0C 42 -13,-1.8 -13,-2.9 -2,-0.2 2,-0.7 -0.977 9.1-162.7-138.3 108.9 -1.9 2.3 40.8 64 82 A F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 18.7 169.9 -98.2 115.1 -1.3 6.0 41.3 65 83 A I E -N 48 0C 15 -17,-2.9 -17,-3.3 -2,-0.7 2,-0.1 -0.994 27.6-131.2-131.7 130.9 2.4 6.7 41.7 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.427 26.4-113.3 -77.8 152.5 4.1 10.1 41.8 67 85 A A E -O 90 0C 19 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.664 22.3-169.8 -84.7 140.1 7.1 10.8 39.6 68 86 A S E S+ 0 0 65 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.675 73.2 9.1-100.2 -25.0 10.4 11.3 41.5 69 87 A K E -O 89 0C 84 20,-1.2 20,-3.0 2,-0.0 2,-0.4 -0.983 58.4-158.9-157.4 141.8 12.4 12.6 38.5 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.981 7.5-167.0-123.5 137.1 11.8 13.6 34.9 71 89 A I E -O 87 0C 35 16,-3.2 16,-2.7 -2,-0.4 2,-0.3 -0.937 4.8-160.4-129.6 105.5 14.5 13.6 32.2 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.638 42.7 -87.7 -81.9 142.3 13.8 15.3 28.9 73 91 A H > - 0 0 22 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.237 35.0-124.9 -49.8 135.5 16.1 14.2 26.1 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 108.7 42.6 -55.3 -29.5 19.3 16.4 26.0 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.078 78.9 144.8-106.8 23.2 18.7 17.4 22.4 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.430 32.3-161.2 -64.9 128.6 14.9 18.1 22.5 77 95 A N B >> -P 82 0D 66 5,-2.7 4,-2.5 -2,-0.2 5,-0.7 -0.915 7.9-167.3-115.9 106.3 14.0 21.0 20.3 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.672 85.8 56.9 -64.8 -19.1 10.6 22.4 21.2 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.834 123.5 21.4 -82.0 -33.4 10.3 24.4 17.9 80 98 A T T 45S- 0 0 68 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.523 97.7-128.4-108.4 -11.8 10.7 21.4 15.6 81 99 A L T ><5 + 0 0 36 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.637 52.6 158.2 68.2 18.0 9.7 18.7 18.1 82 100 A N B 3 < +P 77 0D 33 -5,-0.7 -5,-2.7 1,-0.3 -1,-0.3 -0.541 64.4 17.1 -74.0 136.1 12.9 16.9 17.2 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.858 79.2 175.7 68.3 40.6 13.9 14.4 19.9 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.1 123,-0.2 -0.500 33.6 113.9 -78.5 74.4 10.4 14.4 21.5 85 103 A I - 0 0 0 -2,-2.1 -12,-2.0 -47,-0.2 2,-0.3 -0.987 38.2-178.9-145.2 146.3 11.1 11.8 24.1 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.7 -2,-0.3 2,-0.4 -0.992 16.3-143.4-149.7 143.2 11.2 12.0 27.9 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.2 -2,-0.3 2,-0.4 -0.903 13.3-166.6-110.3 139.4 11.8 9.5 30.7 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.4 -0.993 8.5-149.4-128.4 127.4 10.0 9.6 34.0 89 107 A K E -MO 34 69C 43 -20,-3.0 -21,-2.9 -2,-0.4 -20,-1.2 -0.821 16.2-131.8 -98.1 136.7 11.0 7.7 37.2 90 108 A L E - O 0 67C 0 -57,-2.7 -23,-0.2 -2,-0.4 3,-0.1 -0.563 13.2-128.9 -84.1 147.3 8.4 6.5 39.6 91 109 A K S S+ 0 0 137 -25,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.778 95.7 14.3 -64.8 -27.0 8.9 7.2 43.4 92 110 A S S S- 0 0 65 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.974 95.0 -91.9-146.1 152.7 8.2 3.5 44.0 93 111 A A - 0 0 56 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.395 39.6-121.6 -69.0 143.8 8.0 0.4 41.8 94 112 A A - 0 0 8 -62,-3.2 2,-0.9 -63,-0.1 -1,-0.1 -0.503 23.4-113.7 -81.1 154.0 4.7 -0.6 40.3 95 113 A S - 0 0 87 -2,-0.2 2,-0.4 6,-0.0 5,-0.1 -0.823 35.0-145.5 -90.7 108.1 3.3 -4.0 41.0 96 114 A L + 0 0 78 -2,-0.9 2,-0.2 3,-0.1 5,-0.2 -0.645 35.1 143.6 -82.9 128.6 3.3 -5.8 37.6 97 115 A N - 0 0 81 3,-2.1 3,-0.2 -2,-0.4 -1,-0.0 -0.648 67.4 -69.4-140.4-165.1 0.5 -8.2 36.9 98 116 A S S S+ 0 0 112 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.841 133.8 42.0 -66.0 -31.6 -1.6 -9.2 33.9 99 117 A R S S+ 0 0 108 1,-0.2 2,-0.4 -87,-0.1 -48,-0.2 0.622 119.1 44.2 -90.9 -14.9 -3.4 -5.8 33.8 100 118 A V S S+ 0 0 1 -3,-0.2 -3,-2.1 -50,-0.1 2,-0.3 -0.935 77.3 147.7-132.7 105.3 -0.3 -3.7 34.5 101 119 A A - 0 0 31 -88,-1.2 -72,-0.3 -2,-0.4 2,-0.2 -0.973 43.0-113.2-140.5 153.7 2.8 -4.8 32.5 102 120 A S - 0 0 52 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.489 25.6-131.2 -84.1 156.6 5.8 -3.2 30.9 103 121 A I - 0 0 13 -74,-2.8 2,-0.1 -89,-0.2 83,-0.1 -0.863 25.7-115.0-108.4 140.2 6.4 -3.0 27.1 104 122 A S B -c 186 0B 61 81,-0.6 83,-2.8 -2,-0.4 -73,-0.1 -0.456 21.9-120.0 -76.3 146.6 9.7 -4.0 25.6 105 123 A L - 0 0 33 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.590 40.2-102.0 -79.9 146.7 12.0 -1.6 23.9 106 124 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.328 16.4-154.9 -71.1 153.4 12.7 -2.6 20.2 107 125 A T S S+ 0 0 137 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.530 84.2 13.4 -99.1 -11.5 15.9 -4.3 19.2 108 127 A S S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.960 90.9 -88.3-155.5 163.7 15.5 -2.9 15.7 109 128 A c - 0 0 57 -2,-0.3 2,-0.1 -3,-0.1 79,-0.1 -0.636 42.9-119.3 -81.5 136.3 13.5 -0.2 13.8 110 129 A A - 0 0 28 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.451 29.2-125.4 -73.6 146.6 10.1 -1.3 12.4 111 130 A S > - 0 0 85 1,-0.1 3,-1.8 -2,-0.1 31,-0.3 -0.517 30.6 -85.7 -93.1 160.1 9.6 -1.1 8.6 112 132 A A T 3 S+ 0 0 55 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.300 115.1 39.6 -59.4 145.2 6.9 0.7 6.6 113 133 A G T 3 S+ 0 0 59 29,-2.8 -1,-0.2 1,-0.4 2,-0.1 0.106 83.1 131.5 98.3 -20.2 3.9 -1.5 6.1 114 134 A T < - 0 0 36 -3,-1.8 28,-2.0 28,-0.1 -1,-0.4 -0.432 57.9-126.6 -68.4 135.0 4.1 -2.9 9.7 115 135 A Q E -D 141 0B 115 26,-0.2 69,-0.6 -2,-0.1 2,-0.3 -0.702 31.9-174.8 -85.4 135.1 0.8 -2.8 11.5 116 136 A d E -DE 140 183B 6 24,-1.7 24,-2.3 -2,-0.4 2,-0.5 -0.897 24.6-127.6-130.0 158.9 0.9 -1.0 14.9 117 137 A L E -DE 139 182B 43 65,-2.6 65,-2.3 -2,-0.3 2,-0.4 -0.937 25.2-172.8-109.6 120.4 -1.5 -0.4 17.8 118 138 A I E +DE 138 181B 0 20,-3.2 20,-2.3 -2,-0.5 2,-0.3 -0.924 10.2 176.7-113.0 138.9 -1.9 3.2 18.9 119 139 A S E +D 137 0B 0 61,-1.1 2,-0.3 -2,-0.4 18,-0.2 -0.972 10.9 121.6-144.9 158.7 -3.9 4.1 22.0 120 140 A G E -D 136 0B 1 16,-1.9 16,-1.9 -2,-0.3 56,-0.2 -0.939 57.3-101.1 168.2 174.5 -4.9 7.0 24.2 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.046 72.6 129.8-107.9 26.9 -7.6 9.1 25.9 122 142 A G - 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.184 67.7 -56.3 -79.6 175.7 -7.4 12.0 23.4 123 143 A N - 0 0 10 51,-2.6 8,-0.2 8,-0.2 -1,-0.2 -0.071 38.5-157.4 -49.1 141.7 -10.0 13.8 21.4 124 144 A T + 0 0 36 6,-2.0 -121,-0.6 -3,-0.1 2,-0.4 0.399 65.8 80.8-105.8 1.7 -12.2 11.7 19.1 125 145 A K - 0 0 99 3,-0.2 3,-0.2 5,-0.2 5,-0.1 -0.905 58.6-156.5-115.6 137.7 -13.2 14.4 16.6 126 146 A S S S+ 0 0 58 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.759 98.3 25.8 -76.7 -27.9 -11.3 15.7 13.7 127 147 A S S S+ 0 0 94 69,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.967 126.8 10.6-137.6 114.1 -13.4 18.9 13.8 128 148 A G S S- 0 0 52 -2,-0.4 2,-0.4 -3,-0.2 -3,-0.2 -0.591 87.4 -79.0 111.1-171.6 -14.8 19.7 17.2 129 149 A T + 0 0 100 -2,-0.2 2,-0.2 -5,-0.1 -3,-0.1 -0.993 45.2 146.7-143.4 135.2 -14.2 18.2 20.6 130 150 A S - 0 0 51 -2,-0.4 -6,-2.0 -5,-0.1 -5,-0.2 -0.745 23.9-159.8-163.9 107.4 -15.2 15.1 22.6 131 151 A Y - 0 0 101 -2,-0.2 -8,-0.2 -8,-0.2 -9,-0.1 -0.835 15.1-140.4 -96.7 125.2 -12.8 13.5 25.1 132 152 A P - 0 0 19 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.408 4.9-148.1 -78.4 160.6 -13.6 9.8 26.0 133 153 A D S S+ 0 0 71 -2,-0.1 -78,-2.5 2,-0.1 2,-0.3 0.667 80.7 61.4-101.3 -22.1 -13.2 8.5 29.5 134 154 A V S S- 0 0 39 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.734 100.4 -86.5-103.8 155.2 -12.3 4.9 28.5 135 155 A L - 0 0 5 -2,-0.3 -128,-1.7 -129,-0.1 -127,-0.5 -0.336 39.8-152.1 -65.2 135.1 -9.2 4.0 26.5 136 156 A K E -BD 6 120B 45 -16,-1.9 -16,-1.9 -130,-0.2 2,-0.3 -0.846 7.0-157.5-109.8 146.0 -9.4 4.1 22.7 137 157 A a E -BD 5 119B 2 -132,-3.3 -132,-2.5 -2,-0.3 2,-0.3 -0.879 8.3-173.5-123.0 152.7 -7.4 2.0 20.3 138 158 A L E - D 0 118B 5 -20,-2.3 -20,-3.2 -2,-0.3 2,-0.5 -0.983 15.5-147.2-147.8 130.4 -6.4 2.3 16.6 139 159 A K E + D 0 117B 124 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.868 33.3 161.3 -97.1 130.2 -4.6 -0.1 14.3 140 160 A A E - D 0 116B 0 -24,-2.3 -24,-1.7 -2,-0.5 2,-0.2 -0.978 33.6-122.9-154.2 138.7 -2.4 1.8 11.7 141 161 A P E - D 0 115B 28 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.490 30.7-109.7 -82.7 150.1 0.5 1.0 9.4 142 162 A I B -F 163 0B 12 -28,-2.0 -29,-2.8 -31,-0.3 21,-0.3 -0.619 38.6-135.4 -75.2 132.1 3.9 2.8 9.4 143 163 A L - 0 0 27 19,-2.8 19,-0.3 -2,-0.3 -29,-0.1 -0.552 23.2 -94.3 -89.2 159.2 4.1 4.9 6.3 144 164 A S > - 0 0 46 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.303 31.6-115.7 -68.4 156.8 7.2 5.1 4.1 145 165 A D H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.826 114.4 56.4 -63.9 -30.9 9.7 7.9 4.6 146 166 A S H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 109.1 42.4 -67.3 -48.1 8.9 9.3 1.2 147 167 A S H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.893 115.3 52.9 -66.0 -37.4 5.1 9.7 1.8 148 168 A e H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.2 0.957 112.1 43.2 -61.2 -50.9 5.9 11.0 5.2 149 169 A K H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.0 52.8 -65.7 -32.9 8.3 13.7 3.9 150 170 A S H < S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 108.6 50.5 -71.8 -31.5 5.9 14.5 1.0 151 171 A A H < S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.835 124.5 28.2 -73.3 -35.6 3.0 15.1 3.5 152 172 A Y S >X S- 0 0 2 -4,-1.7 3,-1.8 -5,-0.2 4,-0.7 -0.666 86.0-152.4-128.9 76.6 5.1 17.3 5.7 153 173 A P T 34 S- 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.216 77.2 -4.8 -52.2 127.8 7.8 19.1 3.5 154 174 A G T 34 S+ 0 0 90 -5,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.628 115.1 86.5 62.4 21.4 10.9 20.0 5.5 155 175 A Q T <4 + 0 0 91 -3,-1.8 2,-0.5 -6,-0.2 -1,-0.1 0.537 60.6 91.0-123.9 -14.0 9.6 18.9 8.9 156 176 A I < - 0 0 16 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.766 53.8-172.6 -91.5 124.6 10.4 15.2 9.2 157 177 A T > - 0 0 39 -2,-0.5 3,-1.8 -3,-0.0 -2,-0.0 -0.620 44.2 -94.3-106.3 173.3 13.8 14.4 10.7 158 178 A S T 3 S+ 0 0 92 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.558 122.9 61.7 -65.2 -6.5 15.5 11.0 11.0 159 179 A N T 3 S+ 0 0 28 51,-0.0 49,-2.7 48,-0.0 2,-0.3 0.161 96.7 69.6-106.1 18.2 13.9 10.7 14.4 160 180 A M E < - G 0 207B 4 -3,-1.8 2,-0.3 47,-0.3 47,-0.2 -0.927 54.4-174.2-134.4 154.7 10.3 10.7 13.3 161 181 A F E - G 0 206B 12 45,-1.9 45,-3.1 -2,-0.3 2,-0.3 -0.987 21.4-126.4-148.5 147.3 8.0 8.4 11.3 162 182 A e E + G 0 205B 0 -19,-0.3 -19,-2.8 -2,-0.3 2,-0.3 -0.747 26.3 176.1 -94.9 145.5 4.5 8.7 10.0 163 183 A A E +FG 142 204B 0 41,-1.9 41,-1.2 -2,-0.3 2,-0.4 -0.984 39.0 49.5-147.5 137.1 1.8 6.2 10.7 164 184 A G S S- 0 0 3 -23,-2.1 2,-0.4 -2,-0.3 7,-0.1 -0.992 85.3 -42.1 142.2-145.8 -1.8 6.3 9.7 165 184AA Y > - 0 0 50 5,-0.6 3,-1.1 -2,-0.4 37,-0.3 -0.988 24.1-151.8-134.8 126.4 -3.9 6.9 6.6 166 185 A L T 3 S+ 0 0 53 -2,-0.4 35,-2.6 1,-0.3 36,-0.2 0.709 100.6 63.1 -66.0 -18.9 -3.4 9.4 3.9 167 186 A E T 3 S- 0 0 135 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.777 101.8-144.6 -75.6 -27.6 -7.1 9.3 3.3 168 187 A G < + 0 0 16 -3,-1.1 31,-0.2 2,-0.2 -1,-0.2 -0.430 64.7 106.4 91.7-173.1 -7.7 10.6 6.8 169 188 A G S S+ 0 0 43 29,-2.2 2,-0.4 -2,-0.1 30,-0.1 0.191 79.8 65.4 85.8 -19.3 -10.5 9.7 9.2 170 188AA K + 0 0 97 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.986 66.3 113.3-138.1 125.8 -8.3 7.6 11.6 171 189 A D B -A 2 0A 6 -169,-2.0 -169,-3.6 -2,-0.4 -167,-0.1 -0.972 61.9 -91.4-179.0 163.8 -5.5 9.2 13.6 172 190 A S - 0 0 8 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.362 49.4-174.2 -79.4 173.8 -4.2 10.0 17.0 173 191 A f > - 0 0 13 24,-0.1 3,-2.5 -2,-0.1 4,-0.4 -0.883 35.2 -36.8-156.7-175.8 -5.1 13.5 18.3 174 192 A Q T 3 S+ 0 0 116 -2,-0.3 -51,-2.6 1,-0.3 -149,-0.1 -0.319 125.3 30.2 -53.8 124.6 -4.7 16.1 21.1 175 193 A G T 3 S+ 0 0 4 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.186 100.6 81.7 108.8 -18.2 -4.5 14.2 24.4 176 194 A D X + 0 0 0 -3,-2.5 3,-2.3 -56,-0.2 15,-0.3 0.573 63.5 128.7 -90.7 -14.7 -2.9 11.1 22.9 177 195 A S T 3 S+ 0 0 19 -4,-0.4 -151,-3.2 1,-0.3 15,-0.2 -0.067 71.1 21.1 -43.7 135.4 0.5 12.8 23.1 178 196 A G T 3 S+ 0 0 0 13,-2.9 -1,-0.3 1,-0.3 -150,-0.1 0.196 97.8 132.9 86.3 -14.6 3.2 10.7 24.8 179 197 A G < - 0 0 0 -3,-2.3 12,-2.2 1,-0.1 -1,-0.3 -0.065 58.4 -90.3 -67.3 166.7 1.2 7.6 24.1 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.1 0, 0.0 2,-0.5 -0.463 21.0-166.0 -83.6 149.1 2.5 4.3 22.7 181 199 A V E -EH 118 189B 0 8,-1.5 7,-2.3 -63,-0.2 8,-2.2 -0.951 22.6-167.9-130.7 99.2 2.7 3.0 19.2 182 200 A V E +EH 117 187B 14 -65,-2.3 -65,-2.6 -2,-0.5 2,-0.4 -0.864 11.8 173.1 -99.4 129.5 3.4 -0.7 19.5 183 201 A d E > S-EH 116 186B 1 3,-2.2 3,-1.9 -2,-0.5 -67,-0.2 -0.999 70.9 -1.8-136.1 132.5 4.5 -2.8 16.6 184 202 A S T 3 S- 0 0 103 -69,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.802 129.0 -60.9 57.9 30.9 5.5 -6.5 16.7 185 203 A G T 3 S+ 0 0 48 1,-0.2 -81,-0.6 -79,-0.0 2,-0.3 0.548 117.4 100.4 75.8 8.1 5.1 -6.4 20.5 186 204 A K E < S-cH 104 183B 71 -3,-1.9 -3,-2.2 -83,-0.1 2,-0.8 -0.858 83.1-102.8-122.8 159.1 7.7 -3.7 21.0 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.3 3,-0.1 -0.718 47.7 160.4 -81.8 109.9 7.4 0.1 21.6 188 210 A Q E + 0 0 12 -7,-2.3 21,-1.7 -2,-0.8 22,-0.5 0.705 57.2 19.4-102.6 -25.9 8.3 1.6 18.3 189 211 A G E -IH 208 181B 0 -8,-2.2 -8,-1.5 19,-0.2 2,-0.4 -0.908 52.2-144.2-144.5 170.7 6.8 5.0 18.6 190 212 A I E -IH 207 180B 0 17,-0.8 17,-2.0 -2,-0.3 2,-0.3 -0.999 40.9-106.0-133.5 129.7 5.5 7.8 20.8 191 213 A V E +I 206 0B 5 -12,-2.2 -13,-2.9 -2,-0.4 15,-0.2 -0.438 55.1 156.2 -58.5 117.4 2.6 10.0 19.8 192 214 A S E - 0 0 4 13,-1.4 2,-0.3 -2,-0.3 14,-0.2 0.818 45.3 -42.1-112.0 -66.3 4.3 13.3 19.0 193 215 A W E +I 205 0B 50 12,-2.1 12,-3.3 -19,-0.0 -1,-0.3 -0.931 40.9 177.9-159.1-179.1 2.4 15.6 16.6 194 216 A G - 0 0 28 -2,-0.3 2,-1.0 10,-0.2 10,-0.1 -0.913 44.1 -91.4 177.7 159.7 0.4 16.1 13.4 195 217 A S S S- 0 0 61 8,-0.4 4,-0.4 -2,-0.3 2,-0.1 -0.790 93.3 -43.0 -90.4 100.8 -1.4 18.8 11.4 196 219 A G S S- 0 0 49 -2,-1.0 2,-0.4 2,-0.1 -69,-0.1 -0.408 92.2 -70.2 74.3-156.7 -4.9 18.8 12.8 197 220 A f S S- 0 0 18 -71,-0.4 -24,-0.1 -2,-0.1 -28,-0.1 -0.997 102.4 -7.7-140.0 131.2 -6.3 15.3 13.4 198 221 A A S S+ 0 0 8 -26,-0.4 -29,-2.2 -2,-0.4 2,-0.2 0.735 86.7 156.1 58.6 27.3 -7.4 12.7 10.9 199 221AA Q B > -Q 202 0E 82 3,-0.5 3,-1.5 -4,-0.4 2,-0.2 -0.526 52.2 -94.6 -82.1 151.4 -7.0 15.2 8.0 200 222 A K T 3 S+ 0 0 146 1,-0.3 -33,-0.2 -2,-0.2 -34,-0.1 -0.476 108.1 4.7 -69.2 133.1 -6.3 13.9 4.5 201 223 A N T 3 S+ 0 0 81 -35,-2.6 -1,-0.3 -2,-0.2 -35,-0.1 0.568 109.2 99.3 67.9 13.2 -2.6 13.7 3.6 202 224 A K B < +Q 199 0E 62 -3,-1.5 -3,-0.5 -37,-0.3 -4,-0.2 -0.586 53.9 177.1-128.3 68.6 -1.7 14.7 7.2 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 2,-0.2 -0.108 39.3 -84.3 -65.5 167.5 -0.9 11.5 9.0 204 226 A G E -G 163 0B 0 -41,-1.2 -41,-1.9 -10,-0.1 2,-0.5 -0.521 37.8-140.3 -77.0 144.3 0.4 11.4 12.6 205 227 A V E -GI 162 193B 0 -12,-3.3 -12,-2.1 -43,-0.2 -13,-1.4 -0.905 21.2-168.2-108.5 130.8 4.1 11.9 13.3 206 228 A Y E -GI 161 191B 1 -45,-3.1 -45,-1.9 -2,-0.5 2,-0.3 -0.913 28.2-106.3-123.8 148.3 5.7 9.8 15.9 207 229 A T E -GI 160 190B 3 -17,-2.0 2,-1.3 -2,-0.3 -17,-0.8 -0.533 37.1-124.7 -70.2 129.4 9.1 9.8 17.7 208 230 A K E > - I 0 189B 49 -49,-2.7 3,-1.4 -2,-0.3 4,-0.2 -0.649 27.5-171.1 -80.7 94.9 11.2 7.0 16.4 209 231 A V G > S+ 0 0 0 -21,-1.7 3,-2.6 -2,-1.3 4,-0.5 0.790 73.1 71.1 -59.1 -36.4 12.0 5.0 19.6 210 232 A c G > S+ 0 0 20 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.757 93.7 58.9 -55.0 -25.3 14.6 2.6 18.1 211 233 A N G < S+ 0 0 71 -3,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.593 107.0 48.1 -78.5 -12.6 17.0 5.5 17.8 212 234 A Y G <> S+ 0 0 7 -3,-2.6 4,-2.7 -4,-0.2 -1,-0.2 0.400 75.0 104.6-109.7 2.3 16.8 6.2 21.5 213 235 A V H <> S+ 0 0 21 -3,-0.5 4,-2.7 -4,-0.5 5,-0.2 0.858 83.7 47.8 -53.5 -43.0 17.3 2.7 23.0 214 236 A S H > S+ 0 0 86 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 112.5 48.7 -66.0 -44.2 20.9 3.4 24.1 215 237 A W H > S+ 0 0 42 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.929 114.1 47.5 -60.0 -45.4 20.0 6.7 25.7 216 238 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.969 113.3 45.2 -60.2 -57.9 17.1 5.0 27.5 217 239 A K H X S+ 0 0 129 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.888 114.8 48.9 -54.9 -43.5 19.1 2.0 28.8 218 240 A Q H X S+ 0 0 133 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.871 112.4 47.0 -65.1 -42.1 22.0 4.2 29.9 219 241 A T H >X S+ 0 0 16 -4,-2.1 3,-0.9 -5,-0.2 4,-0.6 0.920 112.4 49.4 -66.5 -45.8 19.8 6.7 31.8 220 242 A I H >< S+ 0 0 38 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.874 108.8 54.3 -60.7 -39.9 17.8 4.0 33.5 221 243 A A H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.653 116.9 35.5 -70.5 -16.9 21.0 2.2 34.6 222 244 A S H << 0 0 99 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.263 360.0 360.0-121.7 10.8 22.4 5.4 36.3 223 245 A N << 0 0 78 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.419 360.0 360.0-133.7 360.0 19.4 7.1 37.7