==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 02-AUG-05 2BYH . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.BROUGH,X.BARRIL,M.BESWICK,B.W.DYMOCK,M.J.DRYSDALE, . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 1 0.5 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 11 A P 0 0 149 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.3 8.9 -4.7 45.0 2 12 A M - 0 0 191 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.497 360.0-145.9 -73.1 130.4 8.3 -7.1 42.1 3 13 A E - 0 0 160 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.674 5.0-144.8 -91.4 148.6 6.6 -5.5 39.1 4 14 A E - 0 0 176 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.947 13.8-171.8-113.4 137.9 4.2 -7.4 36.8 5 15 A E - 0 0 81 -2,-0.4 2,-0.3 158,-0.0 -2,-0.0 -0.997 18.2-135.1-130.8 129.8 3.9 -6.9 33.0 6 16 A E - 0 0 127 -2,-0.4 158,-0.5 2,-0.0 2,-0.4 -0.598 24.7-172.1 -77.1 135.4 1.3 -8.3 30.6 7 17 A V - 0 0 61 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.980 10.0-158.7-124.8 147.6 2.6 -9.7 27.3 8 18 A E E -A 162 0A 54 154,-2.1 154,-2.2 -2,-0.4 2,-0.5 -0.994 6.2-155.8-125.6 132.9 0.7 -11.0 24.3 9 19 A T E -A 161 0A 99 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.886 14.4-173.2-109.2 129.8 2.2 -13.3 21.8 10 20 A F E -A 160 0A 43 150,-3.3 150,-2.3 -2,-0.5 2,-0.4 -0.918 21.4-125.0-122.9 151.8 0.9 -13.4 18.2 11 21 A A E -A 159 0A 70 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.752 30.2-118.2 -90.9 134.8 1.5 -15.5 15.1 12 22 A F - 0 0 12 146,-2.3 87,-0.2 -2,-0.4 86,-0.1 -0.446 41.1 -93.8 -61.0 144.3 2.5 -13.8 11.8 13 23 A Q > - 0 0 41 85,-2.8 4,-2.6 87,-0.1 3,-0.4 -0.321 46.0-106.5 -56.0 144.3 0.0 -14.3 9.0 14 24 A A H > S+ 0 0 55 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.875 117.2 42.5 -52.4 -47.3 1.2 -17.3 7.0 15 25 A E H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.828 112.1 55.5 -73.4 -28.8 2.5 -15.5 3.9 16 26 A I H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.940 108.7 47.8 -62.6 -44.9 4.2 -12.9 6.1 17 27 A A H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.869 111.1 51.9 -62.1 -38.3 6.0 -15.6 8.0 18 28 A Q H X S+ 0 0 101 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.912 109.5 49.7 -64.9 -41.7 7.0 -17.1 4.6 19 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.902 109.1 51.5 -63.8 -42.3 8.3 -13.7 3.5 20 30 A M H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 109.8 48.7 -63.2 -41.8 10.4 -13.3 6.6 21 31 A S H X S+ 0 0 60 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.895 112.2 50.1 -63.3 -37.4 12.0 -16.8 6.2 22 32 A L H X S+ 0 0 26 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.888 112.3 46.8 -69.3 -41.4 12.7 -15.9 2.5 23 33 A I H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.899 119.3 40.1 -64.5 -41.4 14.3 -12.6 3.6 24 34 A I H < S+ 0 0 60 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.848 120.3 40.2 -77.8 -36.7 16.4 -14.2 6.3 25 35 A N H < S+ 0 0 119 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.354 102.0 73.0-104.7 2.9 17.5 -17.4 4.7 26 36 A T S < S- 0 0 60 -4,-0.9 2,-0.4 -3,-0.2 0, 0.0 -0.901 81.1-114.8-114.1 148.1 18.3 -16.3 1.1 27 37 A F + 0 0 162 -2,-0.3 2,-0.4 0, 0.0 -2,-0.1 -0.675 35.9 177.6 -81.8 129.6 21.3 -14.3 -0.0 28 38 A Y - 0 0 26 -2,-0.4 3,-0.3 105,-0.1 2,-0.2 -0.990 20.4-147.3-127.6 137.3 20.5 -10.8 -1.4 29 39 A S S S+ 0 0 69 -2,-0.4 89,-0.4 1,-0.2 0, 0.0 -0.492 83.8 47.4 -82.2 170.7 22.9 -8.3 -2.6 30 40 A N > + 0 0 46 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 0.828 60.4 154.0 69.6 32.8 21.9 -4.7 -2.0 31 41 A K T > + 0 0 34 -3,-0.3 3,-2.1 1,-0.3 4,-0.2 0.745 54.7 84.8 -65.3 -20.3 20.8 -5.2 1.7 32 42 A E T >> + 0 0 21 1,-0.3 3,-1.5 2,-0.1 4,-0.6 0.690 67.7 80.8 -55.1 -23.6 21.5 -1.4 2.4 33 43 A I H <> + 0 0 0 -3,-1.4 4,-2.0 1,-0.3 -1,-0.3 0.639 68.9 84.5 -62.3 -13.4 18.0 -0.6 1.1 34 44 A F H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.879 89.6 51.4 -50.3 -41.0 16.6 -1.6 4.6 35 45 A L H <> S+ 0 0 2 -3,-1.5 4,-2.9 2,-0.2 5,-0.2 0.909 104.5 54.3 -70.3 -42.3 17.4 1.9 5.8 36 46 A R H X S+ 0 0 49 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.917 109.0 50.3 -52.1 -44.9 15.6 3.6 2.9 37 47 A E H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 111.3 47.6 -63.5 -44.7 12.5 1.6 3.8 38 48 A L H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 114.5 45.8 -61.1 -46.3 12.8 2.7 7.5 39 49 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.910 111.8 51.7 -64.9 -39.3 13.3 6.3 6.6 40 50 A S H X S+ 0 0 39 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.907 109.4 50.6 -66.9 -38.5 10.4 6.2 4.1 41 51 A N H X S+ 0 0 66 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.924 111.4 47.9 -62.5 -43.1 8.1 4.8 6.8 42 52 A S H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 110.6 52.1 -59.7 -48.5 9.1 7.5 9.2 43 53 A S H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.913 108.3 50.9 -53.6 -44.5 8.5 10.1 6.5 44 54 A D H X S+ 0 0 88 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 111.5 47.5 -62.6 -40.4 5.0 8.8 5.9 45 55 A A H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 41,-1.4 0.838 110.0 52.3 -71.2 -33.0 4.2 8.9 9.6 46 56 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 39,-0.3 -2,-0.2 0.907 106.8 54.1 -67.1 -42.8 5.5 12.5 9.8 47 57 A D H X S+ 0 0 55 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.934 106.7 53.2 -52.0 -46.4 3.3 13.4 6.9 48 58 A K H X S+ 0 0 125 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.935 112.0 41.6 -62.0 -47.8 0.3 12.0 8.8 49 59 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.894 113.2 56.0 -65.7 -39.1 0.8 14.0 12.0 50 60 A R H X S+ 0 0 93 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.953 115.1 35.5 -57.7 -50.9 1.7 17.1 9.9 51 61 A Y H >X S+ 0 0 129 -4,-2.6 3,-0.9 1,-0.2 4,-0.7 0.886 116.1 54.2 -73.5 -37.6 -1.6 17.1 7.9 52 62 A E H 3X S+ 0 0 73 -4,-2.5 4,-1.5 -5,-0.3 3,-0.4 0.796 103.2 58.8 -67.0 -23.8 -3.7 15.9 10.9 53 63 A S H 3< S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.678 91.4 67.9 -76.6 -19.8 -2.3 18.8 12.9 54 64 A L H << S+ 0 0 131 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.836 108.9 38.6 -68.4 -30.7 -3.7 21.4 10.4 55 65 A T H < S+ 0 0 126 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.876 133.9 20.1 -78.6 -48.9 -7.2 20.3 11.6 56 66 A D >< - 0 0 64 -4,-1.5 3,-1.9 1,-0.1 -1,-0.3 -0.855 63.6-172.8-131.4 93.5 -6.4 19.9 15.3 57 67 A P G > S+ 0 0 91 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.757 79.6 74.4 -59.2 -27.5 -3.3 21.7 16.5 58 68 A S G > S+ 0 0 58 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.590 75.9 79.3 -66.4 -8.0 -3.5 20.1 19.9 59 69 A K G < S+ 0 0 66 -3,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.647 88.7 57.7 -68.9 -15.1 -2.2 16.9 18.3 60 70 A L G X S+ 0 0 32 -3,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.298 74.1 98.2 -94.9 7.4 1.2 18.6 18.5 61 71 A D T < S+ 0 0 128 -3,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.874 79.6 59.8 -55.9 -35.9 0.9 18.9 22.3 62 72 A S T 3 S- 0 0 33 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.232 133.7 -38.2 -78.8 11.1 3.0 15.8 22.4 63 73 A G < - 0 0 31 -3,-1.8 -1,-0.3 108,-0.1 -2,-0.1 -0.005 42.9-148.7 132.7 128.9 5.9 17.5 20.5 64 74 A K + 0 0 157 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.778 69.3 99.0 -87.6 -27.1 6.0 20.1 17.7 65 75 A E - 0 0 139 -5,-0.1 2,-0.7 1,-0.1 19,-0.0 -0.431 55.7-160.7 -73.9 126.8 9.3 19.0 16.1 66 76 A L + 0 0 36 -2,-0.3 2,-0.3 17,-0.1 -1,-0.1 -0.901 39.2 115.6-112.3 106.3 9.0 16.7 13.1 67 77 A H - 0 0 35 -2,-0.7 17,-1.3 139,-0.2 2,-0.4 -0.945 54.1-119.1-161.5 175.7 12.2 14.8 12.4 68 78 A I E -Bc 83 208A 0 139,-2.0 141,-2.2 -2,-0.3 2,-0.4 -0.998 20.8-164.6-132.9 128.8 14.2 11.5 12.2 69 79 A N E -Bc 82 209A 27 13,-2.3 13,-2.6 -2,-0.4 2,-0.4 -0.934 5.7-155.7-115.5 139.5 17.2 10.5 14.3 70 80 A L E -Bc 81 210A 2 139,-2.7 141,-2.6 -2,-0.4 11,-0.2 -0.971 12.3-176.0-113.7 129.6 19.6 7.7 13.6 71 81 A I E -B 80 0A 64 9,-2.9 9,-1.8 -2,-0.4 2,-0.3 -0.812 4.3-170.4-134.6 90.3 21.5 6.2 16.5 72 82 A P E -B 79 0A 13 0, 0.0 2,-0.4 0, 0.0 141,-0.4 -0.631 3.8-165.9 -74.7 142.9 24.2 3.5 16.0 73 83 A N E >> -B 78 0A 41 5,-3.0 5,-1.5 -2,-0.3 4,-1.3 -0.942 8.4-171.2-132.5 107.4 25.5 1.8 19.1 74 84 A K T 45S+ 0 0 119 -2,-0.4 -1,-0.1 3,-0.2 5,-0.0 0.655 86.4 51.6 -75.1 -18.1 28.7 -0.2 18.6 75 85 A Q T 45S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.907 119.6 33.6 -83.6 -38.5 28.7 -1.8 22.0 76 86 A D T 45S- 0 0 108 2,-0.1 -2,-0.2 103,-0.0 -1,-0.1 0.632 102.6-131.8 -76.7 -20.9 25.0 -3.0 21.8 77 87 A R T <5 + 0 0 72 -4,-1.3 103,-2.2 1,-0.2 2,-0.4 0.890 61.7 134.5 57.3 44.6 25.4 -3.7 18.1 78 88 A T E < -BD 73 179A 6 -5,-1.5 -5,-3.0 101,-0.2 2,-0.5 -0.942 47.0-157.6-119.8 149.9 22.1 -1.8 17.5 79 89 A L E -BD 72 178A 1 99,-1.7 99,-2.9 -2,-0.4 2,-0.4 -0.996 18.1-162.6-120.2 124.4 21.0 0.8 15.0 80 90 A T E -BD 71 177A 15 -9,-1.8 -9,-2.9 -2,-0.5 2,-0.5 -0.906 8.9-165.9-115.3 130.8 18.0 2.8 16.2 81 91 A I E -BD 70 176A 1 95,-2.6 95,-3.1 -2,-0.4 2,-0.4 -0.984 13.0-173.9-117.4 120.8 15.7 4.9 14.0 82 92 A V E +BD 69 175A 23 -13,-2.6 -13,-2.3 -2,-0.5 2,-0.3 -0.926 5.8 176.2-118.8 133.0 13.5 7.4 15.8 83 93 A D E -BD 68 174A 7 91,-2.8 91,-1.1 -2,-0.4 -15,-0.2 -0.935 31.4-141.5-128.4 161.8 10.7 9.6 14.3 84 94 A T + 0 0 27 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.176 59.8 131.2-108.4 39.2 8.2 12.0 15.8 85 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.178 79.0 -69.5 -75.0-161.9 5.4 10.9 13.4 86 96 A I - 0 0 19 -41,-1.4 59,-0.5 1,-0.1 87,-0.2 0.735 69.1-151.4 -73.0 -22.7 1.9 10.0 14.2 87 97 A G - 0 0 6 57,-0.2 2,-0.4 85,-0.1 57,-0.2 -0.114 15.1 -81.3 77.1-177.0 2.8 6.7 15.9 88 98 A M - 0 0 30 85,-0.4 56,-0.3 62,-0.1 62,-0.2 -0.970 25.6-136.9-131.1 136.7 0.8 3.5 16.2 89 99 A T > - 0 0 33 -2,-0.4 4,-2.2 54,-0.1 5,-0.2 -0.344 41.6 -97.6 -74.5 171.9 -2.0 2.3 18.5 90 100 A K H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 128.6 48.5 -56.0 -45.8 -1.9 -1.1 20.0 91 101 A A H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.886 106.7 56.8 -67.0 -37.1 -4.3 -2.3 17.2 92 102 A D H > S+ 0 0 52 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.905 109.5 45.8 -57.2 -45.8 -2.1 -0.6 14.6 93 103 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.927 115.0 45.4 -61.4 -50.5 0.9 -2.7 15.7 94 104 A I H <>S+ 0 0 24 -4,-2.1 5,-2.0 -5,-0.2 6,-0.3 0.926 124.3 34.0 -63.0 -42.1 -0.9 -5.9 15.9 95 105 A N H ><>S+ 0 0 68 -4,-2.8 5,-1.3 -5,-0.2 3,-0.7 0.927 124.4 38.5 -80.9 -48.9 -2.7 -5.4 12.6 96 106 A N H 3<5S+ 0 0 94 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.740 118.1 48.8 -79.8 -27.8 -0.1 -3.5 10.5 97 107 A L T 3<5S- 0 0 16 -4,-1.7 -1,-0.2 -5,-0.5 -2,-0.1 -0.179 130.9 -32.8-113.7 41.0 3.0 -5.4 11.8 98 108 A G T < 5S+ 0 0 1 -3,-0.7 -85,-2.8 2,-0.2 -3,-0.2 0.113 112.0 66.9 158.0 -37.0 2.0 -9.0 11.4 99 109 A T T - 0 0 94 1,-0.1 3,-1.2 24,-0.0 4,-0.4 -0.952 8.5-138.5-107.9 131.7 -1.1 -7.8 3.0 103 113 A S T 3 S+ 0 0 134 -2,-0.5 4,-0.4 1,-0.3 3,-0.2 0.728 99.9 53.0 -65.4 -21.6 -2.3 -8.0 -0.6 104 114 A G T 3> S+ 0 0 12 20,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.546 81.6 91.0 -88.6 -11.4 1.3 -7.5 -2.0 105 115 A T H <> S+ 0 0 2 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.892 89.5 42.8 -54.8 -48.5 3.1 -10.3 -0.1 106 116 A K H > S+ 0 0 135 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.938 112.9 51.5 -67.9 -46.9 2.5 -13.1 -2.7 107 117 A A H > S+ 0 0 48 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.927 110.9 50.7 -54.0 -44.4 3.4 -10.9 -5.7 108 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 108.6 48.2 -67.0 -44.3 6.6 -9.9 -4.0 109 119 A M H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 113.3 49.9 -60.9 -37.7 7.8 -13.4 -3.1 110 120 A E H X S+ 0 0 154 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.933 111.8 47.4 -64.8 -47.6 7.1 -14.5 -6.8 111 121 A A H <>S+ 0 0 28 -4,-2.7 5,-2.4 -5,-0.2 3,-0.3 0.896 112.8 49.8 -58.9 -39.5 9.0 -11.5 -8.2 112 122 A L H ><5S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.882 108.0 50.7 -76.3 -38.2 11.9 -12.2 -5.8 113 123 A Q H 3<5S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.669 105.9 58.1 -74.0 -13.8 12.2 -15.9 -6.7 114 124 A A T 3<5S- 0 0 90 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.353 132.9 -92.2 -90.1 3.8 12.2 -14.8 -10.4 115 125 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.525 69.5 157.5 103.1 7.9 15.3 -12.7 -9.6 116 126 A A < - 0 0 33 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.271 49.1-105.3 -60.2 147.3 13.9 -9.3 -8.8 117 127 A D > - 0 0 76 1,-0.1 3,-2.3 -89,-0.1 4,-0.1 -0.539 23.3-119.4 -79.5 147.3 16.2 -7.1 -6.7 118 128 A I G > S+ 0 0 1 -89,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.712 106.5 78.7 -59.1 -22.6 15.3 -6.8 -2.9 119 129 A S G > S+ 0 0 38 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.782 78.2 71.2 -58.1 -26.3 15.0 -3.0 -3.5 120 130 A M G X> S+ 0 0 77 -3,-2.3 3,-1.1 1,-0.2 4,-0.6 0.620 71.9 97.2 -64.5 -11.3 11.6 -3.6 -5.1 121 131 A I G X4>S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.2 5,-1.0 0.826 70.4 60.4 -53.9 -39.7 10.1 -4.4 -1.6 122 132 A G G X45S+ 0 0 29 -3,-0.7 3,-1.4 1,-0.3 5,-0.3 0.835 97.3 59.3 -60.8 -35.0 8.6 -1.0 -0.7 123 133 A Q G <45S+ 0 0 165 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.722 100.1 58.6 -66.2 -21.3 6.2 -1.0 -3.7 124 134 A F G <<5S- 0 0 49 -3,-1.4 -20,-0.4 -4,-0.6 -1,-0.3 0.426 112.5-116.2 -91.4 0.8 4.6 -4.2 -2.5 125 135 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.1 -4,-0.3 3,-0.1 0.586 96.2 90.1 77.2 14.4 3.6 -2.7 0.8 126 136 A V > < + 0 0 2 -5,-1.0 3,-1.5 -22,-0.1 4,-0.3 0.033 39.5 126.8-128.1 28.0 5.8 -5.0 3.0 127 137 A G G > + 0 0 6 -5,-0.3 3,-1.6 -6,-0.3 4,-0.2 0.718 59.7 74.6 -60.9 -27.2 9.0 -3.0 3.1 128 138 A F G > S+ 0 0 25 1,-0.2 3,-1.9 2,-0.2 -1,-0.3 0.871 87.2 63.6 -49.7 -38.3 9.1 -3.1 7.0 129 139 A Y G X S+ 0 0 5 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.650 79.0 81.3 -73.0 -13.0 10.3 -6.7 6.7 130 140 A S G X S+ 0 0 2 -3,-1.6 3,-2.0 1,-0.3 4,-0.4 0.655 72.2 81.4 -59.2 -17.9 13.5 -5.7 4.9 131 141 A A G X> S+ 0 0 1 -3,-1.9 4,-2.0 1,-0.3 3,-1.4 0.838 82.1 64.3 -55.9 -30.7 14.8 -4.9 8.5 132 142 A Y G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.473 82.2 75.7 -80.7 -0.6 15.5 -8.7 8.7 133 143 A L G <4 S+ 0 0 2 -3,-2.0 -1,-0.3 -102,-0.1 -2,-0.2 0.796 118.7 13.5 -65.8 -34.9 18.0 -8.5 5.9 134 144 A V T <4 S+ 0 0 0 -3,-1.4 47,-2.8 -4,-0.4 2,-0.4 0.601 119.6 69.7-117.5 -17.4 20.4 -7.0 8.5 135 145 A A E < -E 180 0A 1 -4,-2.0 45,-0.3 45,-0.3 3,-0.1 -0.866 48.8-164.9-115.6 136.4 18.8 -7.6 11.9 136 146 A E E S+ 0 0 109 43,-2.2 2,-0.3 -2,-0.4 44,-0.1 0.707 89.1 20.9 -81.0 -27.4 18.3 -10.8 13.9 137 147 A K E -E 179 0A 65 42,-1.1 42,-2.8 -6,-0.1 2,-0.4 -0.992 69.3-161.9-142.8 140.1 15.8 -9.1 16.2 138 148 A V E -EF 178 154A 0 16,-2.3 16,-2.2 -2,-0.3 2,-0.4 -0.991 1.8-168.4-125.7 131.4 13.7 -6.0 15.7 139 149 A T E -EF 177 153A 12 38,-2.1 38,-3.3 -2,-0.4 2,-0.5 -0.984 3.5-165.4-116.1 130.1 12.0 -4.0 18.5 140 150 A V E -EF 176 152A 1 12,-2.8 12,-2.8 -2,-0.4 2,-0.4 -0.961 3.0-171.0-118.4 114.0 9.4 -1.3 17.6 141 151 A I E +EF 175 151A 9 34,-3.0 34,-3.1 -2,-0.5 2,-0.3 -0.854 15.8 178.0-101.0 134.4 8.5 1.2 20.4 142 152 A T E -EF 174 150A 0 8,-2.6 8,-2.5 -2,-0.4 2,-0.4 -0.997 22.0-170.4-146.0 145.2 5.6 3.4 19.5 143 153 A K E -E 173 0A 42 30,-2.7 30,-2.6 -2,-0.3 2,-0.3 -0.978 8.4-176.8-137.1 121.1 3.5 6.2 21.1 144 154 A H > - 0 0 45 4,-0.5 3,-1.7 -2,-0.4 -57,-0.2 -0.859 41.8 -90.5-111.2 147.1 0.3 7.6 19.5 145 155 A N T 3 S+ 0 0 25 -59,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.289 112.5 16.3 -52.6 140.1 -1.7 10.5 20.9 146 156 A D T 3 S+ 0 0 170 1,-0.2 2,-0.3 -57,-0.0 -1,-0.3 0.625 114.8 84.1 65.4 15.6 -4.4 9.2 23.4 147 157 A D S < S- 0 0 50 -3,-1.7 -1,-0.2 -58,-0.0 2,-0.1 -0.903 80.8-101.9-135.9 168.5 -2.9 5.7 23.8 148 158 A E - 0 0 117 -2,-0.3 -4,-0.5 -3,-0.1 2,-0.4 -0.353 44.8 -90.9 -82.4 169.6 -0.1 4.3 25.9 149 159 A Q - 0 0 18 16,-0.2 16,-2.7 -6,-0.1 2,-0.3 -0.688 48.7-165.4 -82.4 130.5 3.4 3.5 24.7 150 160 A Y E -FG 142 164A 17 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.5 -0.892 14.8-145.9-119.5 154.5 3.8 -0.0 23.3 151 161 A A E -FG 141 163A 7 12,-3.1 12,-1.9 -2,-0.3 2,-0.4 -0.980 11.1-171.2-120.8 122.7 6.7 -2.4 22.5 152 162 A W E +FG 140 162A 0 -12,-2.8 -12,-2.8 -2,-0.5 2,-0.3 -0.842 12.9 177.9-104.5 141.0 6.6 -4.8 19.6 153 163 A E E +FG 139 161A 60 8,-1.9 8,-2.2 -2,-0.4 2,-0.3 -0.992 8.7 166.1-148.7 139.6 9.3 -7.4 19.3 154 164 A S E -F 138 0A 5 -16,-2.2 -16,-2.3 -2,-0.3 6,-0.1 -0.955 28.2-174.5-153.7 138.6 10.3 -10.3 17.0 155 165 A S - 0 0 73 1,-0.5 2,-0.1 -2,-0.3 5,-0.1 -0.056 58.7-118.9-105.6 28.0 13.2 -12.5 16.2 156 166 A A S > S+ 0 0 16 3,-0.3 3,-0.9 1,-0.1 -1,-0.5 -0.405 71.8 130.6 64.4-143.0 11.1 -14.0 13.4 157 167 A G T 3 S- 0 0 87 1,-0.2 -1,-0.1 -140,-0.1 3,-0.1 0.587 101.1 -64.8 66.0 7.3 10.4 -17.8 13.8 158 168 A G T 3 S+ 0 0 26 1,-0.2 -146,-2.3 -141,-0.1 2,-0.3 0.316 112.1 77.1 105.8 -8.0 6.8 -17.1 13.2 159 169 A S E < -A 11 0A 58 -3,-0.9 -3,-0.3 -148,-0.3 -4,-0.3 -0.905 45.9-172.6-130.3 164.2 5.8 -15.0 16.2 160 170 A F E -A 10 0A 2 -150,-2.3 -150,-3.3 -2,-0.3 2,-0.3 -0.929 15.4-138.2-143.8 164.1 5.9 -11.6 17.7 161 171 A T E -AG 9 153A 25 -8,-2.2 -8,-1.9 -2,-0.3 2,-0.4 -0.899 7.1-162.4-123.2 154.0 5.0 -10.0 21.0 162 172 A V E +AG 8 152A 1 -154,-2.2 -154,-2.1 -2,-0.3 2,-0.3 -0.998 18.2 161.7-133.8 137.9 3.4 -6.8 22.1 163 173 A R E - G 0 151A 77 -12,-1.9 -12,-3.1 -2,-0.4 2,-0.3 -0.988 47.5 -94.0-148.3 151.3 3.5 -5.2 25.6 164 174 A T E - G 0 150A 49 -158,-0.5 2,-0.6 -2,-0.3 -14,-0.3 -0.552 52.4-120.7 -61.4 129.7 2.9 -1.9 27.3 165 175 A D - 0 0 38 -16,-2.7 -16,-0.2 -2,-0.3 -1,-0.1 -0.699 31.9-179.5 -84.8 121.0 6.3 -0.3 27.3 166 176 A T + 0 0 92 -2,-0.6 -1,-0.1 3,-0.0 -16,-0.0 0.303 56.7 95.4 -98.0 9.3 7.6 0.5 30.8 167 177 A G S S- 0 0 41 1,-0.2 -18,-0.1 -18,-0.0 -2,-0.0 0.127 91.0 -29.8 -78.7-163.4 10.9 1.9 29.4 168 178 A E S S- 0 0 145 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.334 71.9-120.0 -53.1 118.3 11.9 5.5 28.6 169 179 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 22.6-158.4 -63.8 139.4 8.8 7.6 27.5 170 180 A M - 0 0 29 1,-0.1 3,-0.2 3,-0.1 -28,-0.0 -0.875 19.0-132.6-108.2 151.6 8.6 9.1 24.1 171 181 A G S S- 0 0 48 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.965 77.8 -36.8 -66.4 -50.1 6.3 12.1 23.4 172 182 A R S S+ 0 0 6 -89,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.855 98.4 60.7-172.0 136.7 4.9 10.7 20.2 173 183 A G E S- E 0 143A 0 -30,-2.6 -30,-2.7 -2,-0.3 -85,-0.4 -0.934 72.0 -68.1 141.0-159.3 6.3 8.7 17.4 174 184 A T E -DE 83 142A 15 -91,-1.1 -91,-2.8 -2,-0.3 2,-0.5 -0.998 27.6-165.0-139.0 137.1 8.0 5.4 16.6 175 185 A K E -DE 82 141A 36 -34,-3.1 -34,-3.0 -2,-0.4 2,-0.5 -0.994 7.4-163.5-123.6 119.7 11.5 4.0 17.5 176 186 A V E -DE 81 140A 14 -95,-3.1 -95,-2.6 -2,-0.5 2,-0.6 -0.938 2.6-163.9-108.0 127.1 12.8 1.0 15.6 177 187 A I E -DE 80 139A 33 -38,-3.3 -38,-2.1 -2,-0.5 2,-0.7 -0.941 3.4-160.3-116.7 114.9 15.8 -0.8 17.2 178 188 A L E -DE 79 138A 0 -99,-2.9 -99,-1.7 -2,-0.6 2,-1.0 -0.854 7.4-156.2 -99.6 114.4 17.7 -3.1 15.0 179 189 A H E -DE 78 137A 47 -42,-2.8 -43,-2.2 -2,-0.7 -42,-1.1 -0.796 32.1-137.6 -86.9 101.6 19.7 -5.7 16.7 180 190 A L E - E 0 135A 0 -103,-2.2 -45,-0.3 -2,-1.0 5,-0.1 -0.369 6.6-112.8 -72.6 142.0 22.2 -6.3 13.9 181 191 A K > - 0 0 35 -47,-2.8 3,-2.2 1,-0.1 -1,-0.1 -0.347 37.5-105.5 -57.5 149.8 23.5 -9.7 12.7 182 192 A E G > S+ 0 0 154 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.800 119.2 48.1 -53.4 -35.7 27.2 -10.3 13.4 183 193 A D G 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.332 102.0 65.1 -89.8 8.2 28.2 -9.8 9.6 184 194 A Q G X + 0 0 15 -3,-2.2 3,-1.5 -50,-0.2 -1,-0.2 0.093 59.1 118.7-119.9 23.1 26.1 -6.6 9.2 185 195 A T G X + 0 0 62 -3,-0.6 3,-1.8 1,-0.3 4,-0.2 0.573 53.2 85.8 -69.5 -8.7 28.1 -4.2 11.6 186 196 A E G > S+ 0 0 79 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.808 76.7 69.5 -58.6 -26.4 29.0 -1.9 8.7 187 197 A Y G < S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.368 90.7 61.4 -81.2 10.1 25.6 -0.2 9.3 188 198 A L G < S+ 0 0 7 -3,-1.8 2,-0.4 -116,-0.1 -1,-0.3 0.432 84.0 100.8-100.8 -6.3 27.0 1.1 12.6 189 199 A E S <> S- 0 0 90 -3,-1.7 4,-2.5 -4,-0.2 5,-0.2 -0.663 71.9-138.2 -87.3 131.7 29.7 3.1 10.9 190 200 A E H > S+ 0 0 83 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.870 102.1 49.0 -51.0 -46.0 29.2 6.8 10.3 191 201 A R H > S+ 0 0 219 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 111.9 47.2 -67.1 -44.2 30.6 6.8 6.8 192 202 A R H > S+ 0 0 43 -6,-0.3 4,-2.2 2,-0.2 5,-0.2 0.907 113.0 49.1 -65.4 -39.8 28.5 3.9 5.6 193 203 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 -7,-0.2 5,-0.3 0.958 112.5 47.6 -65.3 -48.6 25.3 5.4 7.1 194 204 A K H X S+ 0 0 113 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 110.4 54.8 -56.7 -42.0 26.0 8.7 5.5 195 205 A E H X S+ 0 0 110 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.920 111.9 40.5 -56.6 -51.6 26.7 6.9 2.2 196 206 A I H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.815 112.7 53.7 -76.0 -28.5 23.4 5.1 2.0 197 207 A V H X S+ 0 0 31 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.0 47.1 -65.5 -43.6 21.3 8.0 3.2 198 208 A K H < S+ 0 0 164 -4,-2.2 4,-0.3 -5,-0.3 -2,-0.2 0.930 117.6 41.6 -62.2 -45.1 22.9 10.1 0.5 199 209 A K H < S+ 0 0 133 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.885 133.2 17.0 -71.3 -39.9 22.3 7.5 -2.2 200 210 A H H < S+ 0 0 32 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.642 127.5 39.7-114.2 -21.3 18.8 6.4 -1.2 201 211 A S >< + 0 0 6 -4,-2.3 3,-0.8 -5,-0.4 -3,-0.1 -0.108 69.8 125.4-127.9 40.0 17.1 8.9 1.1 202 212 A Q T 3 S+ 0 0 87 -4,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.810 71.3 46.0 -76.5 -34.2 18.2 12.3 -0.4 203 213 A F T 3 S+ 0 0 184 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.203 71.3 141.6-108.2 44.1 14.8 14.0 -0.9 204 214 A I < - 0 0 42 -3,-0.8 4,-0.1 1,-0.1 -164,-0.0 -0.701 50.2-137.6 -85.9 137.4 13.1 13.3 2.4 205 215 A G S S+ 0 0 66 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.052 79.5 64.0 -88.2 22.5 11.1 16.3 3.5 206 216 A Y S S- 0 0 23 -138,-0.0 -139,-0.2 -139,-0.0 -2,-0.1 -0.980 92.8 -95.5-139.2 150.1 12.1 16.2 7.2 207 217 A P - 0 0 82 0, 0.0 -139,-2.0 0, 0.0 2,-0.4 -0.405 33.4-157.1 -66.8 140.7 15.5 16.7 8.8 208 218 A I E -c 68 0A 50 -141,-0.2 2,-0.4 -4,-0.1 -139,-0.2 -0.975 5.9-164.2-117.4 134.1 17.5 13.6 9.6 209 219 A T E -c 69 0A 60 -141,-2.2 -139,-2.7 -2,-0.4 2,-0.6 -0.984 8.2-151.8-120.8 132.9 20.2 13.7 12.3 210 220 A L E -c 70 0A 45 -2,-0.4 2,-0.6 -141,-0.2 -139,-0.2 -0.907 10.1-157.8-101.0 120.2 22.9 11.1 12.8 211 221 A F - 0 0 101 -141,-2.6 2,-0.5 -2,-0.6 -2,-0.0 -0.912 9.4-168.7-102.3 120.0 24.2 10.8 16.4 212 222 A V - 0 0 75 -2,-0.6 2,-0.2 -141,-0.1 -139,-0.1 -0.930 16.3-134.8-114.6 123.1 27.6 9.2 16.7 213 223 A E - 0 0 140 -2,-0.5 -139,-0.0 -141,-0.4 2,-0.0 -0.530 37.7 -95.1 -74.6 137.5 29.1 8.1 20.1 214 224 A K 0 0 192 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.313 360.0 360.0 -50.0 128.8 32.8 9.2 20.7 215 225 A E 0 0 146 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.053 360.0 360.0 -55.8 360.0 35.1 6.3 19.7