==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-05 1YK7 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.G.BARRETT,D.N.DEATON,A.M.HASSELL,R.B.MCFADYEN,A.B.MILLER, . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 1 2 0 1 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 . 1 0 0 0 0 0 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 1 A A 0 0 85 0, 0.0 122,-0.1 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 118.6 94.8 -142.6 47.7 2 2 A P - 0 0 71 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.178 360.0-117.6 -59.9 153.5 98.0 -140.6 47.1 3 3 A D S S+ 0 0 137 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.834 100.2 16.1 -61.0 -34.5 98.4 -137.1 48.6 4 4 A S - 0 0 75 166,-0.1 2,-0.4 2,-0.0 166,-0.2 -0.995 65.2-176.3-145.9 139.0 98.6 -135.7 45.1 5 5 A V E +A 169 0A 15 164,-1.9 164,-2.9 -2,-0.3 2,-0.4 -1.000 3.4 179.2-134.7 132.4 97.7 -137.0 41.6 6 6 A D E > -A 168 0A 24 -2,-0.4 3,-1.8 162,-0.3 162,-0.2 -0.865 9.1-169.7-136.8 99.8 98.3 -135.3 38.2 7 7 A Y G > >S+ 0 0 9 160,-3.0 5,-2.2 -2,-0.4 3,-0.8 0.536 81.7 75.7 -68.2 -5.5 97.2 -137.3 35.2 8 8 A R G > 5S+ 0 0 99 1,-0.2 3,-0.8 3,-0.2 -1,-0.3 0.772 91.0 57.1 -73.8 -24.5 98.9 -134.9 32.9 9 9 A K G < 5S+ 0 0 171 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.493 107.0 49.5 -82.9 -3.5 102.1 -136.5 34.0 10 10 A K G < 5S- 0 0 122 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.2 0.223 115.1-109.8-118.2 10.9 100.8 -139.8 32.8 11 11 A G T < 5S+ 0 0 26 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.835 80.4 126.7 64.4 34.3 99.6 -138.8 29.4 12 12 A Y < + 0 0 35 -5,-2.2 2,-0.4 155,-0.1 27,-0.2 0.520 58.7 72.0 -95.1 -10.5 95.9 -139.1 30.2 13 13 A V - 0 0 22 -6,-0.5 3,-0.1 -5,-0.1 -2,-0.1 -0.920 62.9-156.4-119.2 133.1 95.2 -135.6 29.0 14 14 A T - 0 0 8 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.275 47.2 -65.1 -87.4 179.2 95.0 -134.1 25.6 15 15 A P - 0 0 76 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.183 60.8 -86.4 -67.0 160.0 95.5 -130.3 24.9 16 16 A V - 0 0 18 175,-0.2 170,-0.3 -3,-0.1 2,-0.1 -0.454 48.3-155.8 -67.4 133.4 93.1 -127.6 26.1 17 17 A K - 0 0 47 165,-0.5 168,-2.2 -2,-0.2 2,-0.4 -0.434 11.4-128.8-102.7 179.0 90.2 -127.0 23.7 18 18 A N B -I 184 0B 93 166,-0.2 166,-0.2 -2,-0.1 3,-0.1 -0.910 10.0-167.3-135.6 106.5 88.0 -124.0 23.1 19 19 A Q > - 0 0 10 164,-3.0 3,-0.7 -2,-0.4 5,-0.3 0.493 29.8-153.5 -71.3 -3.6 84.2 -124.5 23.2 20 20 A G T 3 - 0 0 32 163,-0.2 -1,-0.2 1,-0.2 71,-0.1 -0.351 55.7 -37.0 66.2-145.1 83.6 -121.1 21.7 21 21 A Q T 3 S+ 0 0 192 70,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.677 109.3 108.9 -87.5 -19.1 80.2 -119.5 22.5 22 22 A a S < S- 0 0 8 -3,-0.7 2,-2.0 69,-0.3 42,-0.1 -0.326 75.6-129.3 -58.7 130.5 78.4 -122.8 22.3 23 23 A G + 0 0 27 40,-1.5 3,-0.3 1,-0.2 -1,-0.1 -0.290 68.4 125.7 -81.6 57.0 77.3 -124.0 25.8 24 24 A S >> + 0 0 0 -2,-2.0 4,-1.8 -5,-0.3 3,-1.7 0.020 16.6 124.4-103.8 26.8 78.8 -127.4 25.2 25 25 A C H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.884 73.9 60.0 -53.8 -36.7 81.0 -127.6 28.3 26 26 A W H 3> S+ 0 0 3 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.795 103.4 51.7 -62.1 -26.9 79.3 -130.8 29.2 27 27 A A H <> S+ 0 0 0 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.917 112.2 43.4 -75.5 -44.2 80.5 -132.2 25.9 28 28 A F H X S+ 0 0 23 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.857 112.7 53.6 -68.7 -34.7 84.1 -131.3 26.5 29 29 A S H X S+ 0 0 2 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.892 112.7 44.1 -65.9 -39.5 83.9 -132.5 30.1 30 30 A S H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.948 113.5 49.1 -69.4 -50.9 82.6 -135.9 28.9 31 31 A V H X S+ 0 0 5 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.916 109.9 53.0 -55.6 -45.1 85.1 -136.2 26.1 32 32 A G H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.892 109.0 48.8 -58.8 -40.0 87.9 -135.4 28.5 33 33 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.885 113.0 48.5 -67.0 -38.0 86.8 -138.1 30.9 34 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.921 106.5 54.9 -67.1 -46.3 86.6 -140.5 28.0 35 35 A E H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.894 106.9 53.1 -53.7 -42.7 90.1 -139.6 26.7 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.918 112.7 42.4 -60.8 -44.7 91.5 -140.4 30.2 37 37 A Q H X S+ 0 0 18 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.843 110.9 56.3 -71.9 -33.2 89.9 -143.8 30.2 38 38 A L H X>S+ 0 0 8 -4,-2.9 4,-2.6 2,-0.2 6,-0.7 0.894 111.0 44.0 -65.1 -39.9 90.8 -144.6 26.6 39 39 A K H X5S+ 0 0 47 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.918 113.9 50.0 -69.6 -44.7 94.5 -143.9 27.4 40 40 A K H <5S+ 0 0 94 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.855 121.3 34.8 -62.2 -37.5 94.4 -145.9 30.6 41 41 A K H <5S+ 0 0 128 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.939 132.3 23.4 -85.5 -53.1 92.8 -148.9 28.9 42 42 A T H <5S- 0 0 65 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.668 96.8-124.2 -90.1 -18.3 94.3 -149.0 25.4 43 43 A G S < + 0 0 0 33,-2.6 4,-0.7 1,-0.2 33,-0.2 -0.689 32.5 174.6 -88.3 109.5 84.7 -135.6 19.4 50 50 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.821 84.1 63.9 -76.9 -28.7 82.7 -133.2 21.5 51 51 A Q H > S+ 0 0 1 36,-0.4 4,-2.6 1,-0.2 43,-0.2 0.841 95.9 59.6 -60.1 -34.9 80.8 -132.1 18.4 52 52 A N H > S+ 0 0 0 35,-0.3 4,-2.4 2,-0.2 5,-0.3 0.884 108.6 43.3 -61.3 -41.6 79.5 -135.7 18.1 53 53 A L H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.946 112.9 51.4 -70.8 -48.6 77.9 -135.4 21.6 54 54 A V H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.1 35.9 -54.5 -43.0 76.5 -131.9 20.9 55 55 A D H < S+ 0 0 13 -4,-2.6 41,-0.5 -5,-0.2 -1,-0.2 0.821 127.5 32.6 -82.1 -33.7 74.9 -133.1 17.7 56 56 A b H < S+ 0 0 16 -4,-2.4 2,-1.8 -5,-0.2 -3,-0.2 0.739 90.5 84.4-100.7 -28.0 73.9 -136.6 18.6 57 57 A V >< + 0 0 3 -4,-2.6 3,-1.8 -5,-0.3 5,-0.5 -0.603 49.0 174.5 -79.0 87.0 72.9 -136.7 22.3 58 58 A S T 3 + 0 0 102 -2,-1.8 -1,-0.2 1,-0.3 -4,-0.0 0.529 69.7 77.4 -71.3 -4.7 69.4 -135.6 21.9 59 59 A E T 3 S+ 0 0 116 11,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.630 97.1 53.7 -77.3 -13.5 68.9 -136.2 25.6 60 60 A N S < S- 0 0 19 -3,-1.8 6,-0.2 -7,-0.2 3,-0.1 -0.478 93.9-111.6-108.3-176.4 70.7 -133.0 26.1 61 61 A D > - 0 0 108 4,-2.6 3,-3.2 1,-0.3 4,-0.2 -0.144 40.0-138.9-112.6 37.0 70.1 -129.5 24.7 62 62 A G G > S+ 0 0 2 -5,-0.5 3,-0.9 1,-0.3 -1,-0.3 -0.154 84.5 3.0 47.1-121.4 73.1 -129.1 22.4 63 63 A a G 3 S+ 0 0 37 1,-0.2 -40,-1.5 -9,-0.1 -1,-0.3 0.596 130.7 65.4 -70.6 -8.7 74.6 -125.6 22.7 64 64 A G G < S- 0 0 56 -3,-3.2 2,-0.3 1,-0.3 -1,-0.2 0.768 117.1 -82.5 -84.1 -27.1 72.0 -124.9 25.3 65 65 A G < - 0 0 21 -3,-0.9 -4,-2.6 -4,-0.2 -1,-0.3 -0.862 47.7-178.0 147.7 178.8 73.4 -127.4 27.9 66 66 A G - 0 0 25 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.1 -0.954 29.8 -87.8 170.2 175.0 73.3 -131.0 28.9 67 67 A Y > - 0 0 137 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.881 18.3-137.4-112.8 142.2 74.4 -133.6 31.3 68 68 A M H > S+ 0 0 8 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.857 105.7 62.5 -59.7 -33.1 77.6 -135.7 31.3 69 69 A T H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 104.3 42.8 -58.9 -49.7 75.5 -138.6 32.3 70 70 A N H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 112.2 57.7 -63.5 -38.6 73.4 -138.6 29.1 71 71 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 109.9 42.3 -54.3 -52.1 76.6 -138.0 27.2 72 72 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 37,-0.3 0.896 112.8 52.4 -64.4 -42.6 78.1 -141.2 28.6 73 73 A Q H X S+ 0 0 69 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.879 108.6 52.6 -62.7 -35.4 74.9 -143.2 28.1 74 74 A Y H X S+ 0 0 26 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.960 107.1 49.4 -63.5 -53.2 74.8 -142.1 24.5 75 75 A V H X>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 4,-0.7 0.898 114.8 48.8 -52.6 -41.2 78.4 -143.2 23.7 76 76 A Q H ><5S+ 0 0 66 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.989 116.6 37.4 -61.0 -66.0 77.5 -146.5 25.3 77 77 A K H 3<5S+ 0 0 151 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.769 116.2 53.7 -59.9 -30.0 74.2 -147.2 23.5 78 78 A N H 3<5S- 0 0 48 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.636 110.9-126.6 -79.0 -15.0 75.6 -145.7 20.3 79 79 A R T <<5S- 0 0 154 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.2 0.805 72.3 -0.8 73.2 32.4 78.5 -148.2 20.7 80 80 A G < - 0 0 0 -5,-2.9 2,-0.4 -6,-0.3 26,-0.2 -0.666 63.1-113.4 141.7 163.8 81.2 -145.5 20.4 81 81 A I E -K 105 0D 0 24,-1.8 23,-2.9 -2,-0.2 24,-1.2 -0.974 34.7-118.4-129.7 142.5 82.2 -141.9 19.9 82 82 A D E -K 103 0D 0 -2,-0.4 -33,-2.6 21,-0.3 21,-0.2 -0.314 32.2-101.5 -76.3 166.6 84.1 -140.5 16.9 83 83 A S B > -J 48 0C 21 19,-1.5 4,-1.6 -35,-0.3 -35,-0.3 -0.463 29.9-113.4 -81.8 158.7 87.5 -138.9 17.1 84 84 A E T 4 S+ 0 0 46 -37,-3.5 -36,-0.2 1,-0.2 -1,-0.1 0.858 121.3 57.1 -59.8 -31.7 87.7 -135.1 17.0 85 85 A D T 4 S+ 0 0 141 -38,-0.6 -1,-0.2 1,-0.2 -37,-0.1 0.906 110.4 38.6 -66.0 -44.8 89.4 -135.8 13.7 86 86 A A T 4 S+ 0 0 44 1,-0.3 -1,-0.2 16,-0.3 -2,-0.2 0.601 129.1 34.3 -83.0 -11.7 86.6 -137.8 12.2 87 87 A Y S < S- 0 0 10 -4,-1.6 -36,-0.4 15,-0.1 -35,-0.3 -0.568 87.8-154.8-144.0 74.2 84.0 -135.5 13.8 88 88 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.106 19.1-113.9 -53.2 141.7 85.4 -131.9 13.9 89 89 A Y + 0 0 46 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.631 36.3 170.2 -79.4 131.4 84.1 -129.3 16.4 90 90 A V - 0 0 70 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.534 44.1-120.9-118.2 -15.4 82.2 -126.4 14.8 91 91 A G S S+ 0 0 21 1,-0.2 2,-0.3 -71,-0.1 -69,-0.3 0.626 81.7 75.8 87.0 10.3 80.8 -124.7 17.9 92 92 A Q S S- 0 0 116 -70,-0.1 -2,-0.2 -71,-0.1 -1,-0.2 -0.986 87.6 -92.9-152.9 147.1 77.1 -124.9 17.0 93 93 A E + 0 0 110 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.371 50.4 167.1 -63.6 133.3 74.5 -127.7 17.0 94 94 A E - 0 0 73 -43,-0.2 2,-0.1 -2,-0.1 3,-0.1 -0.834 43.8 -65.8-137.5 174.0 74.1 -129.5 13.7 95 95 A S - 0 0 103 -2,-0.3 -39,-0.1 1,-0.1 -40,-0.1 -0.410 66.4 -91.2 -65.9 137.0 72.5 -132.7 12.5 96 96 A b + 0 0 68 -41,-0.5 -1,-0.1 1,-0.1 -44,-0.1 -0.235 47.5 173.1 -51.1 124.2 73.9 -135.9 13.9 97 97 A M + 0 0 104 -3,-0.1 -1,-0.1 -45,-0.1 -45,-0.1 -0.166 11.7 163.3-128.1 38.7 76.7 -137.1 11.6 98 98 A Y - 0 0 42 -46,-0.1 -11,-0.0 1,-0.1 -17,-0.0 -0.349 18.3-164.9 -60.1 136.3 78.2 -140.0 13.6 99 99 A N > - 0 0 75 1,-0.1 3,-1.5 -2,-0.0 4,-0.1 -0.944 15.0-152.3-129.6 108.9 80.3 -142.3 11.5 100 100 A P G > S+ 0 0 80 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.787 94.2 64.0 -50.8 -31.4 81.2 -145.7 12.9 101 101 A T G 3 S+ 0 0 126 1,-0.3 -15,-0.0 -15,-0.1 0, 0.0 0.892 100.5 52.7 -62.5 -35.6 84.4 -145.9 10.9 102 102 A G G < S+ 0 0 13 -3,-1.5 -19,-1.5 -16,-0.1 2,-0.3 0.260 79.9 140.2 -83.2 14.7 85.7 -142.9 12.9 103 103 A K E < +K 82 0D 63 -3,-1.9 -21,-0.3 -21,-0.2 3,-0.1 -0.437 18.9 166.8 -62.6 119.3 84.9 -144.7 16.1 104 104 A A E + 0 0 25 -23,-2.9 2,-0.3 -2,-0.3 -22,-0.2 0.629 57.1 13.6-110.1 -20.7 87.7 -143.9 18.6 105 105 A A E -K 81 0D 5 -24,-1.2 -24,-1.8 -30,-0.0 -1,-0.3 -0.996 56.6-149.4-157.1 154.3 86.4 -145.1 22.0 106 106 A K - 0 0 102 -2,-0.3 2,-0.3 -26,-0.2 -30,-0.2 -0.691 8.5-154.2-118.5 174.0 83.6 -147.1 23.7 107 107 A C - 0 0 12 -32,-0.3 108,-0.2 -2,-0.2 -28,-0.2 -0.988 16.9-159.2-153.0 137.5 81.8 -146.9 27.0 108 108 A R - 0 0 148 106,-2.1 2,-0.3 1,-0.4 107,-0.2 0.143 68.3 -79.8-102.0 18.8 80.0 -149.4 29.3 109 109 A G E -B 214 0A 5 105,-0.5 105,-3.6 -37,-0.3 -1,-0.4 -0.774 56.8 -84.8 117.0-163.8 78.0 -146.7 31.1 110 110 A Y E -B 213 0A 64 103,-0.3 2,-0.3 -2,-0.3 -41,-0.0 -0.901 18.9-136.2-142.7 170.3 79.0 -144.3 33.9 111 111 A R E -B 212 0A 130 101,-2.5 101,-1.8 -2,-0.3 2,-0.4 -0.933 15.9-140.9-127.2 151.9 79.4 -144.0 37.7 112 112 A E E -B 211 0A 120 -2,-0.3 99,-0.3 99,-0.2 3,-0.1 -0.946 15.5-127.9-117.5 135.5 78.4 -141.1 39.9 113 113 A I - 0 0 14 97,-2.5 97,-0.4 -2,-0.4 3,-0.2 -0.602 46.4 -85.4 -79.6 135.3 80.4 -139.8 42.9 114 114 A P > - 0 0 78 0, 0.0 3,-2.5 0, 0.0 6,-0.1 -0.123 60.9 -93.7 -42.1 121.9 78.4 -139.5 46.2 115 115 A E T 3 S- 0 0 169 1,-0.3 93,-0.3 93,-0.1 3,-0.1 -0.153 103.2 -3.3 -47.1 115.2 76.8 -136.1 46.1 116 116 A G T 3 S+ 0 0 32 91,-2.4 2,-1.1 -3,-0.2 -1,-0.3 0.460 92.9 132.7 81.5 3.2 78.9 -133.5 47.8 117 117 A N <> + 0 0 63 -3,-2.5 4,-1.7 90,-0.5 -1,-0.2 -0.718 26.6 175.5 -93.5 96.1 81.6 -135.9 48.9 118 118 A E H > S+ 0 0 14 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.815 83.0 56.3 -65.5 -32.0 85.0 -134.4 48.1 119 119 A K H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 109.0 46.1 -67.2 -37.9 86.8 -137.3 49.8 120 120 A A H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.817 111.3 52.7 -72.8 -30.9 84.9 -139.7 47.6 121 121 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.901 108.3 52.1 -69.3 -39.9 85.8 -137.5 44.6 122 122 A K H X S+ 0 0 43 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 110.5 45.1 -59.7 -53.4 89.4 -137.7 45.6 123 123 A R H X S+ 0 0 116 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.873 113.0 52.7 -60.7 -37.3 89.5 -141.5 45.8 124 124 A A H X>S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 5,-0.9 0.921 106.7 51.3 -65.0 -44.8 87.7 -141.7 42.5 125 125 A V H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.3 43.6 -60.6 -37.0 90.2 -139.5 40.7 126 126 A A H <5S+ 0 0 25 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 119.7 40.5 -75.4 -40.9 93.0 -141.7 42.1 127 127 A R H <5S+ 0 0 149 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.867 132.8 18.7 -76.3 -39.1 91.3 -145.0 41.3 128 128 A V T <5S- 0 0 8 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.1 0.903 99.9-122.1 -97.1 -59.9 89.8 -144.2 37.9 129 129 A G < + 0 0 0 -5,-0.9 -1,-0.3 37,-0.1 -2,-0.1 -0.955 67.6 10.7 142.9-158.2 91.5 -141.1 36.5 130 130 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.240 70.8-154.0 -53.5 132.3 90.3 -137.7 35.3 131 131 A V E -C 166 0A 0 35,-1.9 35,-3.1 81,-0.1 2,-0.4 -0.856 13.7-121.5-113.6 146.5 86.7 -137.1 36.4 132 132 A S E +CD 165 211A 0 79,-2.3 79,-2.5 -2,-0.3 2,-0.3 -0.683 40.2 174.2 -83.1 133.0 83.9 -135.0 34.9 133 133 A V E -C 164 0A 0 31,-2.7 31,-2.5 -2,-0.4 2,-0.4 -0.944 28.0-133.9-140.0 161.9 82.5 -132.4 37.3 134 134 A A E +C 163 0A 8 -2,-0.3 74,-0.4 71,-0.3 75,-0.4 -0.944 30.2 172.8-116.7 136.5 80.1 -129.5 37.5 135 135 A I E -C 162 0A 0 27,-2.5 26,-2.9 -2,-0.4 27,-1.2 -0.808 41.6-101.0-135.1 175.0 81.1 -126.2 39.2 136 136 A D + 0 0 2 68,-0.7 3,-0.2 24,-0.3 24,-0.1 -0.876 46.4 159.6-100.5 101.0 79.9 -122.6 39.7 137 137 A A + 0 0 11 -2,-0.9 -1,-0.1 1,-0.1 23,-0.1 -0.142 38.1 108.2-113.8 36.4 82.0 -120.7 37.2 138 138 A S + 0 0 73 21,-0.2 2,-0.2 4,-0.1 -1,-0.1 0.470 53.5 105.2 -92.1 -2.3 79.7 -117.6 37.1 139 139 A L S > S- 0 0 39 -3,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.510 72.6-131.0 -89.2 149.8 82.0 -115.3 39.0 140 140 A T H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.892 111.7 54.8 -55.9 -43.5 84.2 -112.4 37.8 141 141 A S H 4 S+ 0 0 38 1,-0.2 -1,-0.2 2,-0.2 10,-0.0 0.818 105.3 53.1 -62.1 -32.5 87.1 -113.9 39.8 142 142 A F H >4 S+ 0 0 0 -3,-0.4 3,-0.8 2,-0.2 -1,-0.2 0.894 110.1 47.3 -70.8 -40.0 86.7 -117.2 38.0 143 143 A Q H 3< S+ 0 0 107 -4,-1.9 46,-0.5 1,-0.2 -2,-0.2 0.898 117.2 40.6 -69.4 -40.2 86.9 -115.6 34.6 144 144 A F T 3< S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.178 82.9 143.6 -95.1 17.9 89.9 -113.5 35.3 145 145 A Y < + 0 0 19 -3,-0.8 44,-0.4 1,-0.2 3,-0.1 -0.304 15.0 163.9 -56.6 136.5 91.7 -116.3 37.3 146 146 A S - 0 0 83 1,-0.4 2,-0.3 43,-0.1 -1,-0.2 0.689 53.0 -21.9-121.9 -54.7 95.4 -116.2 36.6 147 147 A K S S+ 0 0 152 42,-0.1 -1,-0.4 2,-0.1 42,-0.0 -0.914 88.5 45.8-151.9 177.1 97.3 -118.3 39.2 148 148 A G S S- 0 0 22 -2,-0.3 47,-0.7 -3,-0.1 2,-0.6 -0.075 96.6 -36.0 75.7 179.4 97.2 -119.8 42.7 149 149 A V E -e 195 0A 33 23,-0.2 2,-0.3 45,-0.1 47,-0.2 -0.680 65.4-126.9 -82.0 120.4 94.4 -121.8 44.4 150 150 A Y E +e 196 0A 14 45,-3.7 47,-2.3 -2,-0.6 2,-0.2 -0.488 40.8 157.0 -70.4 127.0 91.0 -120.4 43.4 151 151 A Y + 0 0 105 -2,-0.3 2,-0.5 45,-0.1 -2,-0.0 -0.751 8.2 166.6-157.1 102.7 88.7 -119.5 46.3 152 152 A D > - 0 0 42 -2,-0.2 3,-2.1 1,-0.1 52,-0.2 -0.977 26.3-151.5-119.3 116.4 85.9 -117.0 46.1 153 153 A E T 3 S+ 0 0 157 -2,-0.5 -1,-0.1 1,-0.3 51,-0.0 0.408 93.4 68.6 -70.1 5.9 83.4 -117.1 49.0 154 154 A S T 3 S+ 0 0 89 2,-0.1 -1,-0.3 50,-0.0 2,-0.0 0.437 74.3 111.8 -98.5 -5.1 80.6 -115.9 46.7 155 155 A c < - 0 0 23 -3,-2.1 2,-0.5 1,-0.0 50,-0.1 -0.376 59.8-148.7 -64.2 149.6 80.7 -119.2 44.9 156 156 A N > - 0 0 72 3,-0.2 3,-2.0 48,-0.1 -2,-0.1 -0.973 14.1-156.3-129.6 118.9 77.6 -121.2 45.4 157 157 A S T 3 S+ 0 0 36 -2,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.711 99.3 56.4 -64.3 -18.9 77.7 -125.0 45.5 158 158 A D T 3 S+ 0 0 138 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.479 94.2 73.7 -89.8 -2.3 74.0 -125.0 44.6 159 159 A N < + 0 0 70 -3,-2.0 2,-0.3 -23,-0.0 -21,-0.2 -0.493 62.5 169.7-111.4 62.4 74.7 -122.9 41.5 160 160 A L + 0 0 59 -2,-0.4 -24,-0.3 -3,-0.2 3,-0.1 -0.579 12.3 146.8 -73.2 129.2 76.3 -125.4 39.1 161 161 A N + 0 0 72 -26,-2.9 2,-0.3 -2,-0.3 -25,-0.2 0.276 51.7 53.5-149.2 12.4 76.6 -123.8 35.6 162 162 A H E -C 135 0A 17 -27,-1.2 -27,-2.5 -137,-0.1 2,-0.5 -0.991 60.9-144.2-153.3 143.1 79.8 -125.2 34.0 163 163 A A E +C 134 0A 5 -2,-0.3 2,-0.2 -29,-0.2 -29,-0.2 -0.948 31.1 156.8-114.0 128.5 81.2 -128.6 33.2 164 164 A V E -C 133 0A 3 -31,-2.5 -31,-2.7 -2,-0.5 2,-0.5 -0.803 37.2-100.9-139.6 179.6 85.0 -129.2 33.4 165 165 A L E -CF 132 181A 6 16,-2.1 16,-3.4 -2,-0.2 2,-0.9 -0.922 13.1-151.6-116.7 129.5 87.5 -132.0 34.0 166 166 A A E +CF 131 180A 0 -35,-3.1 -35,-1.9 -2,-0.5 14,-0.2 -0.830 18.7 174.0 -96.6 100.9 89.4 -132.8 37.1 167 167 A V E - 0 0 0 12,-1.3 -160,-3.0 -2,-0.9 2,-0.3 0.442 64.3 -40.6 -87.0 -0.5 92.7 -134.4 35.9 168 168 A G E -AF 6 179A 0 11,-1.0 11,-2.5 -162,-0.2 2,-0.3 -0.983 55.0-128.9 167.6-167.8 94.2 -134.6 39.3 169 169 A Y E +AF 5 178A 2 -164,-2.9 -164,-1.9 9,-0.3 2,-0.3 -0.963 30.0 135.5-163.3 168.7 94.6 -132.8 42.6 170 170 A G E - F 0 177A 2 7,-1.9 7,-2.8 -2,-0.3 2,-0.3 -0.908 44.7 -73.7 177.4-148.0 97.2 -131.8 45.1 171 171 A I E - F 0 176A 94 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.998 20.0-163.5-147.2 139.8 98.5 -129.0 47.3 172 172 A Q E > S- F 0 175A 69 3,-2.1 3,-1.8 -2,-0.3 -23,-0.2 -0.949 82.4 -26.8-126.6 109.2 100.2 -125.6 46.7 173 173 A K T 3 S- 0 0 192 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.905 128.0 -46.4 53.4 45.7 101.9 -124.1 49.8 174 174 A G T 3 S+ 0 0 56 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.312 112.7 119.1 84.2 -11.2 99.4 -125.8 52.1 175 175 A N E < -F 172 0A 70 -3,-1.8 -3,-2.1 22,-0.0 -1,-0.2 -0.803 58.9-141.9 -94.4 106.2 96.3 -124.9 50.0 176 176 A K E +F 171 0A 93 -2,-0.9 22,-2.7 22,-0.3 2,-0.3 -0.356 31.0 169.5 -65.3 141.7 94.7 -128.1 48.9 177 177 A H E -FG 170 197A 14 -7,-2.8 -7,-1.9 20,-0.3 2,-0.4 -0.907 37.4-119.9-148.8 175.3 93.3 -128.1 45.4 178 178 A W E -FG 169 196A 0 18,-2.0 18,-2.1 -2,-0.3 2,-0.8 -0.969 30.8-129.1-116.8 131.0 91.8 -129.8 42.4 179 179 A I E -FG 168 195A 8 -11,-2.5 -12,-1.3 -2,-0.4 -11,-1.0 -0.768 34.9-167.8 -84.5 114.4 93.7 -129.7 39.1 180 180 A I E -FG 166 194A 0 14,-2.2 14,-1.9 -2,-0.8 2,-0.6 -0.915 17.9-154.9-113.8 126.2 90.9 -128.5 36.7 181 181 A K E -FG 165 193A 16 -16,-3.4 -16,-2.1 -2,-0.5 12,-0.2 -0.855 19.9-163.9 -96.5 120.7 91.1 -128.5 32.9 182 182 A N - 0 0 2 10,-2.4 -165,-0.5 -2,-0.6 3,-0.1 -0.372 20.5-137.9 -95.9 178.8 88.8 -125.9 31.4 183 183 A S S S+ 0 0 5 -167,-0.1 -164,-3.0 -2,-0.1 -163,-0.2 -0.119 74.0 101.3-131.1 36.6 87.5 -125.6 27.8 184 184 A W B S-I 18 0B 73 1,-0.4 -166,-0.2 -166,-0.2 3,-0.2 0.114 93.5 -93.5-105.1 18.2 87.7 -121.9 27.3 185 185 A G > - 0 0 5 -168,-2.2 3,-1.2 1,-0.2 -1,-0.4 -0.035 44.0 -70.4 91.4 163.7 91.0 -122.1 25.3 186 186 A E T 3 S+ 0 0 129 -170,-0.3 5,-0.3 1,-0.2 6,-0.2 0.697 124.2 64.3 -66.2 -21.8 94.6 -121.8 26.2 187 187 A N T 3 S+ 0 0 169 -3,-0.2 -1,-0.2 4,-0.2 2,-0.2 0.629 84.3 91.1 -79.8 -12.3 94.4 -118.1 26.9 188 188 A W S <> S- 0 0 21 -3,-1.2 4,-3.0 -4,-0.1 5,-0.2 -0.572 98.4 -31.5 -84.0 147.8 92.0 -118.5 29.8 189 189 A G T 4 S- 0 0 21 -46,-0.5 2,-1.4 -44,-0.4 5,-0.2 -0.022 124.9 -12.2 45.6-143.3 93.4 -118.9 33.4 190 190 A N B >4 S-H 193 0A 65 3,-2.4 3,-1.4 1,-0.2 -1,-0.2 -0.658 131.1 -46.1 -91.1 82.7 96.7 -120.6 33.7 191 191 A K T 34 S- 0 0 160 -2,-1.4 -1,-0.2 -5,-0.3 -175,-0.2 0.813 117.9 -44.3 60.8 34.5 97.1 -122.0 30.2 192 192 A G T 3< S+ 0 0 0 -4,-3.0 -10,-2.4 1,-0.4 -1,-0.3 0.251 123.5 99.1 96.8 -11.7 93.5 -123.3 30.2 193 193 A Y E < -HG 190 181A 30 -3,-1.4 -3,-2.4 -5,-0.2 -1,-0.4 -0.672 47.2-171.3-108.3 162.8 93.8 -124.7 33.7 194 194 A I E - G 0 180A 1 -14,-1.9 -14,-2.2 -2,-0.2 2,-0.8 -0.983 22.5-133.7-150.8 139.9 92.8 -123.6 37.2 195 195 A L E -eG 149 179A 30 -47,-0.7 -45,-3.7 -2,-0.3 2,-0.4 -0.879 29.1-159.1 -95.6 112.8 93.5 -125.0 40.7 196 196 A M E -eG 150 178A 3 -18,-2.1 -18,-2.0 -2,-0.8 -45,-0.1 -0.811 29.0 -92.6 -99.5 136.2 90.2 -125.0 42.5 197 197 A A E - G 0 177A 1 -47,-2.3 2,-0.4 -2,-0.4 -20,-0.3 -0.094 41.5-152.8 -45.6 130.4 90.1 -125.1 46.3 198 198 A R S S+ 0 0 8 -22,-2.7 -22,-0.3 1,-0.2 -1,-0.1 -0.896 70.8 7.2-111.8 139.5 89.9 -128.6 47.7 199 199 A N S S+ 0 0 81 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.702 84.2 127.3 65.8 21.4 88.3 -129.6 51.1 200 200 A K S S- 0 0 87 -3,-0.2 -1,-0.1 -24,-0.1 -3,-0.1 -0.364 99.4 -73.0-101.8 49.4 87.0 -126.0 51.5 201 201 A N S S- 0 0 154 -2,-0.3 4,-0.2 1,-0.2 3,-0.2 0.966 91.8 -51.8 58.8 59.0 83.5 -127.3 52.1 202 202 A N S > S- 0 0 15 1,-0.2 3,-2.5 2,-0.1 -1,-0.2 0.889 75.7-149.7 46.7 54.7 82.7 -128.3 48.5 203 203 A A G > S- 0 0 15 1,-0.3 3,-1.4 -6,-0.2 -1,-0.2 -0.295 77.3 -0.9 -56.8 127.9 83.7 -124.9 47.1 204 204 A c G 3 S- 0 0 5 1,-0.3 -68,-0.7 -52,-0.2 -1,-0.3 0.633 118.1 -85.1 64.5 14.8 81.7 -124.1 43.9 205 205 A G G X> S+ 0 0 0 -3,-2.5 3,-3.0 -4,-0.2 4,-0.5 0.754 71.7 165.4 60.6 26.5 80.0 -127.5 44.4 206 206 A I T <4 S+ 0 0 0 -3,-1.4 -1,-0.1 1,-0.3 -72,-0.1 0.551 77.0 39.9 -52.2 -7.4 82.8 -129.2 42.5 207 207 A A T 34 S+ 0 0 0 -5,-0.1 -91,-2.4 -74,-0.1 -90,-0.5 0.245 88.4 91.1-126.9 12.4 81.5 -132.6 43.9 208 208 A N T <4 S+ 0 0 29 -3,-3.0 -2,-0.1 -74,-0.4 -93,-0.1 0.743 104.3 20.1 -78.8 -25.3 77.8 -132.1 43.6 209 209 A L S < S+ 0 0 59 -4,-0.5 2,-0.4 -75,-0.4 -1,-0.2 -0.433 85.9 152.7-143.5 61.3 77.6 -133.6 40.1 210 210 A A + 0 0 3 -3,-0.5 -97,-2.5 -97,-0.4 2,-0.3 -0.786 10.9 152.0 -98.9 138.0 80.7 -135.7 39.6 211 211 A S E -BD 112 132A 4 -79,-2.5 -79,-2.3 -2,-0.4 -99,-0.2 -0.979 22.8-161.5-156.7 165.2 80.8 -138.7 37.3 212 212 A F E -B 111 0A 9 -101,-1.8 -101,-2.5 -2,-0.3 2,-0.1 -0.991 28.4-104.8-153.4 146.6 83.1 -140.7 35.1 213 213 A P E -B 110 0A 0 0, 0.0 2,-0.4 0, 0.0 -103,-0.3 -0.439 25.2-130.8 -74.4 143.5 82.7 -143.2 32.2 214 214 A K E B 109 0A 53 -105,-3.6 -106,-2.1 -2,-0.1 -105,-0.5 -0.742 360.0 360.0 -88.0 142.0 83.1 -147.0 32.7 215 215 A M 0 0 39 -2,-0.4 -108,-0.1 -108,-0.2 -177,-0.0 -0.910 360.0 360.0-147.2 360.0 85.3 -148.4 30.0