==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 02-MAR-04 1UYG . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.WRIGHT,X.BARRIL,B.DYMOCK,L.SHERIDAN,A.SURGENOR,M.BESWICK, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 74.5 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 . 41 19.7 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 . 1 0.5 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 1 0 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 0 3 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 16 A E 0 0 195 0, 0.0 2,-0.6 0, 0.0 158,-0.4 0.000 360.0 360.0 360.0 140.6 7.4 28.8 38.2 2 17 A V - 0 0 70 156,-0.1 2,-0.4 154,-0.0 156,-0.2 -0.847 360.0-155.4-102.5 121.2 8.6 27.5 34.8 3 18 A E E -A 157 0A 66 154,-2.3 154,-2.2 -2,-0.6 2,-0.4 -0.831 8.8-152.2 -93.0 135.1 11.2 24.8 34.7 4 19 A T E -A 156 0A 97 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.920 15.6-173.8-108.7 131.0 13.3 24.6 31.5 5 20 A F E -A 155 0A 50 150,-3.5 150,-2.2 -2,-0.4 2,-0.4 -0.916 22.8-122.8-124.6 153.6 14.8 21.2 30.4 6 21 A A E -A 154 0A 80 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.757 28.7-124.1 -89.6 133.8 17.2 20.0 27.6 7 22 A F - 0 0 18 146,-1.8 2,-0.0 -2,-0.4 -1,-0.0 -0.482 40.8 -92.0 -60.6 147.8 16.0 17.3 25.3 8 23 A Q >> - 0 0 96 -2,-0.1 4,-2.1 1,-0.1 3,-1.0 -0.394 44.3-109.0 -52.9 138.0 18.3 14.2 25.2 9 24 A A H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.838 117.6 54.4 -46.6 -42.5 20.7 14.8 22.3 10 25 A E H 3> S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 109.3 47.8 -59.8 -39.1 19.1 12.1 20.1 11 26 A I H <> S+ 0 0 2 -3,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.895 110.1 50.9 -70.7 -40.6 15.6 13.7 20.5 12 27 A A H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 111.5 50.3 -62.9 -42.6 16.9 17.2 19.7 13 28 A Q H X S+ 0 0 118 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.930 111.2 47.2 -58.6 -50.2 18.6 15.6 16.6 14 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.945 110.4 52.7 -55.5 -50.3 15.3 13.9 15.5 15 30 A M H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.917 110.0 48.1 -53.9 -43.5 13.4 17.1 16.0 16 31 A S H X S+ 0 0 60 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.886 109.7 52.8 -68.4 -37.8 15.8 19.0 13.8 17 32 A L H X S+ 0 0 56 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.933 110.3 48.3 -57.6 -46.9 15.6 16.2 11.1 18 33 A I H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.9 42.0 -61.0 -45.0 11.8 16.6 11.2 19 34 A I H < S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.880 122.9 38.3 -66.1 -41.2 11.9 20.4 10.9 20 35 A N H < S+ 0 0 123 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.790 89.7 92.9 -88.4 -36.0 14.7 20.4 8.3 21 36 A T S < S- 0 0 59 -4,-2.7 2,-0.5 -5,-0.2 -4,-0.0 -0.431 78.0-119.4 -63.1 132.4 14.1 17.5 5.9 22 37 A F + 0 0 185 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.631 52.5 150.2 -67.5 119.1 12.1 18.3 2.7 23 38 A Y - 0 0 39 -2,-0.5 3,-0.1 -5,-0.1 -2,-0.0 -0.827 30.0-168.9-160.5 106.8 9.0 16.0 3.0 24 39 A S S S+ 0 0 92 -2,-0.3 2,-2.0 1,-0.2 3,-0.3 0.723 71.6 83.1 -78.9 -23.2 5.7 16.9 1.5 25 40 A N > + 0 0 62 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 -0.306 50.0 143.7 -81.9 55.8 3.5 14.2 3.1 26 41 A K T > + 0 0 36 -2,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.752 45.9 85.9 -65.2 -24.6 3.1 16.3 6.4 27 42 A E T >> + 0 0 16 -3,-0.3 3,-1.4 1,-0.3 4,-0.5 0.664 68.0 80.2 -60.4 -16.8 -0.5 15.2 7.0 28 43 A I H <> S+ 0 0 1 -3,-1.0 4,-1.7 1,-0.3 -1,-0.3 0.661 70.2 83.5 -66.3 -12.6 0.5 12.0 8.8 29 44 A F H <> S+ 0 0 1 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.915 87.6 56.4 -52.7 -39.8 1.2 14.1 12.0 30 45 A L H <> S+ 0 0 1 -3,-1.4 4,-2.2 1,-0.3 5,-0.2 0.917 105.0 46.2 -69.2 -45.0 -2.6 13.7 12.7 31 46 A R H X S+ 0 0 62 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.827 109.8 57.4 -65.1 -29.6 -2.8 9.9 12.7 32 47 A E H X S+ 0 0 13 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.924 111.3 40.7 -63.1 -45.0 0.3 9.8 14.9 33 48 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.852 114.2 52.1 -74.9 -35.1 -1.3 11.9 17.6 34 49 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.884 109.9 50.4 -65.5 -38.0 -4.7 10.2 17.3 35 50 A S H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.894 108.2 51.9 -66.5 -41.1 -3.0 6.8 17.7 36 51 A N H X S+ 0 0 64 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.893 111.4 48.8 -59.6 -41.2 -1.1 8.2 20.8 37 52 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.918 108.9 52.2 -64.3 -45.1 -4.6 9.2 22.2 38 53 A S H X S+ 0 0 15 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.912 109.1 49.6 -59.0 -46.9 -6.0 5.8 21.4 39 54 A D H X S+ 0 0 90 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.904 112.1 48.8 -56.8 -44.0 -3.2 4.0 23.3 40 55 A A H X S+ 0 0 19 -4,-1.9 4,-1.7 2,-0.2 41,-1.6 0.826 111.6 48.7 -64.8 -37.1 -3.8 6.3 26.3 41 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 39,-0.3 -2,-0.2 0.930 110.2 51.6 -69.4 -45.4 -7.5 5.6 26.1 42 57 A D H X S+ 0 0 61 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.861 108.9 53.7 -50.9 -44.9 -6.8 1.8 26.0 43 58 A K H X S+ 0 0 122 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 110.7 42.0 -59.8 -49.5 -4.6 2.2 29.1 44 59 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.865 114.3 54.1 -70.8 -30.8 -7.1 3.9 31.3 45 60 A R H X S+ 0 0 119 -4,-2.2 4,-1.0 2,-0.2 3,-0.2 0.976 111.3 44.0 -61.9 -55.7 -9.8 1.5 30.0 46 61 A Y H >X S+ 0 0 169 -4,-2.8 3,-0.7 1,-0.2 4,-0.6 0.903 113.4 51.8 -53.0 -46.2 -7.7 -1.5 31.0 47 62 A E H >< S+ 0 0 45 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.859 104.7 56.7 -64.3 -33.6 -6.7 0.0 34.3 48 63 A S H 3< S+ 0 0 14 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.731 88.4 74.3 -74.2 -21.6 -10.4 0.7 35.2 49 64 A L H << S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.870 110.8 30.2 -52.7 -39.3 -11.4 -2.9 34.8 50 65 A T S << S+ 0 0 119 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.364 135.5 29.6-104.8 3.6 -9.6 -3.6 38.1 51 66 A D > - 0 0 60 -3,-0.4 3,-2.7 -4,-0.4 -1,-0.2 -0.424 60.5-179.7-159.3 80.2 -10.3 -0.2 39.7 52 67 A P G > S+ 0 0 91 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.636 78.3 75.6 -59.6 -15.8 -13.5 1.5 38.5 53 68 A S G > S+ 0 0 60 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.683 76.7 76.6 -70.2 -17.5 -12.6 4.5 40.7 54 69 A K G < S+ 0 0 51 -3,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.652 90.6 56.3 -63.6 -15.3 -10.0 5.4 38.1 55 70 A L G X S+ 0 0 28 -3,-1.4 3,-1.6 -4,-0.2 -1,-0.3 0.275 75.3 98.6-100.8 8.2 -12.9 6.7 36.0 56 71 A D T < S+ 0 0 125 -3,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.822 79.6 57.9 -62.0 -30.0 -14.1 9.0 38.8 57 72 A S T 3 S- 0 0 39 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.278 134.1 -27.2 -84.0 7.5 -12.3 11.9 37.0 58 73 A G < - 0 0 30 -3,-1.6 -1,-0.3 108,-0.1 -2,-0.1 -0.088 45.4-157.2 145.3 122.8 -14.4 11.1 33.8 59 74 A K + 0 0 150 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.769 67.4 98.3 -86.9 -25.6 -16.2 8.1 32.4 60 75 A E - 0 0 127 -5,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.477 56.8-160.7 -71.8 125.5 -16.3 9.3 28.7 61 76 A L + 0 0 31 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.894 39.3 117.7-108.9 104.6 -13.5 7.8 26.6 62 77 A H - 0 0 27 -2,-0.7 17,-1.3 139,-0.2 2,-0.4 -0.960 53.8-119.2-162.0 174.8 -13.1 9.9 23.5 63 78 A I E -Bc 78 203A 0 139,-2.5 141,-2.6 -2,-0.3 2,-0.4 -0.994 19.0-165.8-128.3 129.6 -11.1 12.2 21.1 64 79 A N E -Bc 77 204A 23 13,-2.4 13,-3.0 -2,-0.4 2,-0.5 -0.944 6.9-157.9-116.2 135.7 -11.9 15.8 20.1 65 80 A L E -Bc 76 205A 0 139,-3.1 141,-2.6 -2,-0.4 11,-0.2 -0.971 16.9-175.7-110.6 116.2 -10.3 17.6 17.2 66 81 A I E -B 75 0A 50 9,-2.8 9,-2.5 -2,-0.5 2,-0.3 -0.915 8.1-168.9-123.0 104.1 -10.6 21.4 17.6 67 82 A P E -B 74 0A 7 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.709 2.0-173.5 -84.7 146.5 -9.4 23.9 15.0 68 83 A N E >> -B 73 0A 34 5,-2.4 5,-1.8 -2,-0.3 4,-1.2 -0.863 9.0-174.6-141.3 104.2 -9.2 27.6 16.0 69 84 A K T 45S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.880 84.5 58.8 -70.4 -39.4 -8.4 30.0 13.1 70 85 A Q T 45S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.875 120.1 29.1 -50.9 -47.4 -8.2 33.1 15.4 71 86 A D T 45S- 0 0 105 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.553 104.5-130.5 -91.6 -10.9 -5.4 31.4 17.4 72 87 A R T <5 + 0 0 82 -4,-1.2 103,-2.1 1,-0.2 2,-0.4 0.892 61.3 134.5 55.9 45.1 -4.1 29.3 14.5 73 88 A T E < -BD 68 174A 11 -5,-1.8 -5,-2.4 101,-0.2 2,-0.4 -0.922 47.0-158.8-120.8 150.1 -4.1 26.1 16.6 74 89 A L E -BD 67 173A 0 99,-1.8 99,-2.7 -2,-0.4 2,-0.5 -0.997 20.4-161.5-124.0 122.7 -5.3 22.6 16.1 75 90 A T E -BD 66 172A 19 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.6 -0.905 11.1-159.4-112.4 127.6 -5.9 20.8 19.3 76 91 A I E -BD 65 171A 1 95,-2.5 95,-2.6 -2,-0.5 2,-0.5 -0.948 19.7-170.2-103.2 113.6 -6.1 17.0 19.8 77 92 A V E +BD 64 170A 14 -13,-3.0 -13,-2.4 -2,-0.6 2,-0.3 -0.897 9.2 173.3-109.5 131.4 -7.9 16.3 23.0 78 93 A D E -BD 63 169A 6 91,-2.9 91,-1.0 -2,-0.5 -15,-0.2 -0.902 32.8-146.0-129.1 162.9 -8.3 12.9 24.7 79 94 A T + 0 0 26 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.218 60.6 129.4-112.2 40.7 -9.7 11.6 28.0 80 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.139 79.4 -64.5 -76.5-160.7 -7.0 8.9 28.2 81 96 A I - 0 0 13 -41,-1.6 59,-0.5 1,-0.1 87,-0.2 0.722 69.6-145.0 -67.3 -24.9 -4.8 8.1 31.1 82 97 A G - 0 0 4 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.016 16.5 -85.3 80.1 168.3 -2.9 11.3 31.1 83 98 A M - 0 0 38 85,-0.4 56,-0.5 62,-0.1 62,-0.2 -0.933 28.5-139.6-119.2 139.1 0.8 11.9 31.9 84 99 A T > - 0 0 26 -2,-0.4 4,-1.8 54,-0.1 5,-0.1 -0.398 35.6-103.2 -80.7 170.4 2.5 12.5 35.3 85 100 A K H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.918 123.9 57.8 -57.0 -39.8 5.3 15.0 35.8 86 101 A A H >>S+ 0 0 49 1,-0.2 5,-2.5 2,-0.2 4,-2.3 0.908 103.9 50.9 -60.1 -45.0 7.7 12.0 35.7 87 102 A D H 4>S+ 0 0 37 3,-0.2 5,-2.3 4,-0.2 6,-0.4 0.932 112.6 47.3 -50.3 -50.6 6.5 11.0 32.2 88 103 A L H <5S+ 0 0 10 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 122.2 29.9 -64.8 -44.4 7.0 14.6 31.0 89 104 A I H <5S- 0 0 44 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.734 139.3 -0.9 -89.4 -30.1 10.5 15.3 32.3 90 105 A N T X5S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.3 -3,-0.2 0.703 116.0 55.5-128.6 -57.4 12.0 11.8 32.3 91 106 A N H > S+ 0 0 22 -6,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.884 109.2 52.8 -62.0 -43.8 12.6 10.9 26.9 94 109 A T H X S+ 0 0 87 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.909 115.4 40.1 -57.2 -46.9 14.2 7.7 28.3 95 110 A I H >X S+ 0 0 130 -4,-2.3 4,-1.1 1,-0.2 3,-0.6 0.901 111.6 58.5 -69.7 -37.9 11.9 5.4 26.1 96 111 A A H 3X S+ 0 0 7 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.771 88.4 75.6 -66.9 -27.2 12.2 7.8 23.1 97 112 A K H 3X S+ 0 0 89 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.924 100.8 39.2 -49.5 -53.2 16.1 7.5 23.0 98 113 A S H < S+ 0 0 101 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.960 109.0 52.2 -64.4 -53.1 19.0 4.4 11.3 106 121 A A H 3<>S+ 0 0 23 -4,-2.9 5,-2.1 1,-0.3 4,-0.2 0.867 92.2 75.6 -48.0 -43.2 15.9 3.2 9.3 107 122 A L T 3<5S+ 0 0 38 -4,-2.4 2,-0.4 3,-0.2 -1,-0.3 0.574 96.9 51.9 -54.9 -10.9 15.8 6.5 7.4 108 123 A Q T < 5S+ 0 0 148 -3,-2.2 -1,-0.1 -4,-0.1 4,-0.1 -0.969 93.6 58.3-127.9 120.6 18.9 5.2 5.5 109 124 A A T 5S- 0 0 111 -2,-0.4 -2,-0.1 2,-0.1 -1,-0.1 -0.245 137.1 -89.5 123.1 -15.8 18.0 1.8 4.1 110 125 A G T 5S+ 0 0 62 -4,-0.2 -3,-0.2 1,-0.2 -2,-0.1 0.725 77.3 153.5 88.6 26.4 15.5 4.2 2.8 111 126 A A < - 0 0 24 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.278 34.6-136.1 -65.3 164.8 12.6 4.3 5.2 112 127 A D > - 0 0 62 -4,-0.1 3,-2.0 1,-0.1 4,-0.1 -0.823 22.0 -96.4-128.4 173.8 10.7 7.5 5.2 113 128 A I G > S+ 0 0 8 1,-0.3 3,-2.1 -2,-0.3 -1,-0.1 0.818 113.1 69.0 -59.9 -31.7 9.2 10.0 7.7 114 129 A S G 3 S+ 0 0 24 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.671 90.9 64.6 -60.5 -15.3 5.7 8.5 7.6 115 130 A M G X + 0 0 59 -3,-2.0 3,-1.7 1,-0.2 -1,-0.3 0.409 67.0 109.5 -89.0 5.9 7.1 5.4 9.4 116 131 A I G X > + 0 0 0 -3,-2.1 3,-1.5 1,-0.3 5,-1.3 0.790 69.6 61.0 -53.9 -35.4 7.9 7.3 12.5 117 132 A G G > 5S+ 0 0 28 -3,-0.5 3,-1.6 1,-0.3 -1,-0.3 0.772 89.3 68.2 -66.0 -29.3 5.1 5.7 14.6 118 133 A Q G < 5S+ 0 0 149 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.548 101.2 52.0 -63.5 -7.3 6.6 2.2 14.1 119 134 A F G < 5S- 0 0 50 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.302 115.8-115.6-113.0 6.1 9.4 3.5 16.3 120 135 A G T < 5S+ 0 0 68 -3,-1.6 -3,-0.2 -21,-0.1 3,-0.2 0.640 94.0 98.8 71.0 24.2 7.1 4.8 19.2 121 136 A V > < + 0 0 4 -5,-1.3 3,-1.6 -22,-0.1 4,-0.3 0.081 33.3 126.2-126.3 26.9 8.2 8.5 18.5 122 137 A G G > + 0 0 1 1,-0.3 3,-2.1 -5,-0.2 4,-0.3 0.773 57.5 78.1 -56.5 -29.4 5.3 9.6 16.4 123 138 A F G > S+ 0 0 39 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.872 85.5 60.5 -47.8 -42.0 4.6 12.6 18.7 124 139 A Y G X S+ 0 0 22 -3,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.635 81.9 80.1 -71.8 -10.5 7.5 14.5 17.2 125 140 A S G X S+ 0 0 0 -3,-2.1 3,-2.1 -4,-0.3 4,-0.4 0.664 72.4 82.7 -63.9 -13.4 5.9 14.5 13.8 126 141 A A G X> S+ 0 0 0 -3,-2.2 4,-1.8 -4,-0.3 3,-1.4 0.828 79.4 67.3 -55.2 -29.4 3.8 17.3 15.3 127 142 A Y G <4 S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.446 80.6 74.6 -78.4 1.0 6.8 19.4 14.3 128 143 A L G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 -102,-0.1 -2,-0.2 0.777 119.4 13.0 -72.7 -34.0 6.1 18.8 10.5 129 144 A V T <4 S+ 0 0 0 -3,-1.4 47,-2.9 -4,-0.4 2,-0.4 0.523 116.5 73.6-121.0 -13.6 3.2 21.3 10.9 130 145 A A E < -E 175 0A 2 -4,-1.8 45,-0.3 45,-0.3 3,-0.1 -0.889 47.2-165.8-114.5 135.9 3.6 23.2 14.3 131 146 A E E S+ 0 0 110 43,-2.5 2,-0.3 -2,-0.4 44,-0.1 0.702 89.2 18.8 -79.8 -25.9 6.2 25.8 15.2 132 147 A K E -E 174 0A 70 42,-1.1 42,-2.8 -6,-0.1 2,-0.4 -0.992 69.3-158.6-145.4 135.9 5.3 25.3 18.9 133 148 A V E -EF 173 149A 0 16,-2.5 16,-2.1 -2,-0.3 2,-0.4 -0.988 4.9-169.6-119.5 132.6 3.6 22.5 20.7 134 149 A T E -EF 172 148A 12 38,-2.3 38,-3.6 -2,-0.4 2,-0.5 -0.975 4.1-164.8-117.5 133.1 1.8 22.8 24.0 135 150 A V E -EF 171 147A 3 12,-3.1 12,-3.1 -2,-0.4 2,-0.5 -0.979 3.4-171.0-123.4 119.5 0.7 19.7 25.9 136 151 A I E +EF 170 146A 15 34,-2.4 34,-2.9 -2,-0.5 2,-0.3 -0.944 20.3 169.3-105.8 128.5 -1.7 20.0 28.8 137 152 A T E -EF 169 145A 0 8,-2.0 8,-2.3 -2,-0.5 2,-0.4 -0.984 23.5-168.9-147.8 149.0 -2.1 16.7 30.7 138 153 A K E -EF 168 144A 41 30,-3.1 30,-2.5 -2,-0.3 2,-0.3 -0.959 4.7-172.0-142.5 118.4 -3.7 15.4 33.9 139 154 A H > - 0 0 22 4,-0.5 3,-1.7 -56,-0.5 -57,-0.2 -0.831 35.4-117.0-102.2 147.3 -3.1 11.9 35.3 140 155 A N T 3 S+ 0 0 50 -59,-0.5 -1,-0.1 -2,-0.3 -58,-0.1 0.819 113.3 51.2 -48.2 -37.3 -5.2 10.7 38.3 141 156 A D T 3 S+ 0 0 133 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.503 115.1 37.3 -86.1 -0.6 -2.1 10.4 40.6 142 157 A D S < S- 0 0 41 -3,-1.7 2,-0.1 1,-0.1 -58,-0.0 -0.733 83.4 -87.1-141.5 178.4 -0.8 13.9 39.9 143 158 A E - 0 0 128 -2,-0.2 -4,-0.5 1,-0.1 2,-0.4 -0.318 55.0 -84.5 -82.9 171.4 -1.5 17.6 39.2 144 159 A Q E -F 138 0A 17 16,-0.2 16,-2.7 -6,-0.2 2,-0.3 -0.685 51.6-167.6 -81.7 135.0 -2.3 19.2 35.9 145 160 A Y E -FG 137 159A 19 -8,-2.3 -8,-2.0 -2,-0.4 2,-0.5 -0.864 19.9-146.5-124.5 154.4 0.8 20.2 33.9 146 161 A A E -FG 136 158A 8 12,-3.0 12,-2.1 -2,-0.3 2,-0.4 -0.989 16.6-172.7-120.2 120.3 1.7 22.2 30.8 147 162 A W E +FG 135 157A 16 -12,-3.1 -12,-3.1 -2,-0.5 2,-0.3 -0.844 11.4 179.1-104.1 144.5 4.6 21.0 28.7 148 163 A E E +FG 134 156A 44 8,-2.3 8,-2.7 -2,-0.4 2,-0.3 -0.993 11.2 168.4-151.4 144.3 5.8 23.2 25.9 149 164 A S E -F 133 0A 5 -16,-2.1 -16,-2.5 -2,-0.3 6,-0.1 -0.939 27.3-175.9-157.1 135.5 8.4 23.3 23.2 150 165 A S - 0 0 75 1,-0.6 5,-0.1 4,-0.3 -18,-0.1 -0.067 57.6-122.1-103.1 27.1 9.4 25.3 20.1 151 166 A A S > S+ 0 0 12 3,-0.3 3,-0.8 1,-0.1 -1,-0.6 -0.366 71.4 129.0 59.8-147.1 12.2 22.8 19.6 152 167 A G T 3 S- 0 0 83 1,-0.2 -1,-0.1 -140,-0.2 3,-0.1 0.614 102.3 -63.7 68.2 11.5 15.7 24.4 19.4 153 168 A G T 3 S+ 0 0 29 1,-0.2 -146,-1.8 -141,-0.1 2,-0.3 0.370 112.9 76.4 104.2 -3.8 16.8 21.9 22.0 154 169 A S E < -A 6 0A 52 -3,-0.8 -4,-0.3 -148,-0.2 -3,-0.3 -0.930 46.3-170.6-137.9 157.5 14.7 22.7 25.1 155 170 A F E -A 5 0A 13 -150,-2.2 -150,-3.5 -2,-0.3 2,-0.3 -0.945 15.3-139.1-137.8 161.7 11.2 22.3 26.6 156 171 A T E -AG 4 148A 25 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.4 -0.889 8.0-163.7-120.0 157.1 9.5 23.7 29.6 157 172 A V E +AG 3 147A 0 -154,-2.2 -154,-2.3 -2,-0.3 2,-0.3 -0.997 15.3 164.1-133.4 137.4 7.1 22.2 32.2 158 173 A R E - G 0 146A 99 -12,-2.1 -12,-3.0 -2,-0.4 2,-0.2 -0.975 46.3 -98.6-142.2 152.8 4.9 24.2 34.6 159 174 A T E - G 0 145A 85 -158,-0.4 2,-0.5 -2,-0.3 -14,-0.3 -0.592 51.1-117.8 -65.3 138.0 1.9 23.2 36.8 160 175 A D - 0 0 41 -16,-2.7 -16,-0.2 -2,-0.2 -1,-0.1 -0.734 31.5-178.0 -89.8 123.3 -1.1 24.4 34.8 161 176 A T + 0 0 143 -2,-0.5 -1,-0.1 3,-0.0 -16,-0.0 0.366 55.4 105.4 -92.6 1.4 -3.4 27.1 36.3 162 177 A G S S- 0 0 37 1,-0.2 -18,-0.1 -18,-0.0 3,-0.1 0.139 90.7 -45.0 -63.5-172.0 -5.7 26.9 33.2 163 178 A E - 0 0 166 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.419 69.1-112.2 -56.6 127.6 -9.2 25.3 33.2 164 179 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.450 25.8-160.0 -60.7 138.6 -9.0 21.9 35.0 165 180 A M - 0 0 33 1,-0.1 2,-1.9 -2,-0.1 -27,-0.1 0.385 21.2-132.2-110.7 3.4 -9.5 19.0 32.5 166 181 A G S S- 0 0 34 -27,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.501 73.8 -23.7 87.1 -73.3 -10.5 16.1 34.7 167 182 A R S S+ 0 0 5 -2,-1.9 2,-0.3 -89,-0.1 -28,-0.2 -0.836 99.6 52.9-169.2 136.7 -8.1 13.5 33.2 168 183 A G E - E 0 138A 0 -30,-2.5 -30,-3.1 -2,-0.2 -85,-0.4 -0.915 69.7 -71.2 136.7-159.5 -6.4 13.2 29.8 169 184 A T E -DE 78 137A 11 -91,-1.0 -91,-2.9 -2,-0.3 2,-0.4 -0.999 22.0-165.6-142.2 135.6 -4.2 15.1 27.4 170 185 A K E -DE 77 136A 67 -34,-2.9 -34,-2.4 -2,-0.3 2,-0.6 -0.996 8.7-161.3-121.1 129.6 -4.6 18.0 25.0 171 186 A V E -DE 76 135A 12 -95,-2.6 -95,-2.5 -2,-0.4 2,-0.6 -0.955 8.7-160.4-110.0 113.6 -1.9 18.5 22.4 172 187 A I E -DE 75 134A 35 -38,-3.6 -38,-2.3 -2,-0.6 2,-0.8 -0.860 2.2-157.7 -99.2 115.3 -2.1 22.1 21.1 173 188 A L E -DE 74 133A 0 -99,-2.7 -99,-1.8 -2,-0.6 2,-1.1 -0.841 5.0-156.6 -97.6 111.4 -0.4 22.5 17.7 174 189 A H E -DE 73 132A 41 -42,-2.8 -43,-2.5 -2,-0.8 -42,-1.1 -0.794 32.6-135.6 -83.4 102.0 0.5 26.2 17.0 175 190 A L E - E 0 130A 0 -103,-2.1 -45,-0.3 -2,-1.1 5,-0.1 -0.266 7.9-110.6 -69.6 145.0 0.6 25.8 13.3 176 191 A K > - 0 0 42 -47,-2.9 3,-2.3 1,-0.1 -1,-0.1 -0.371 37.6-105.5 -60.8 151.0 3.3 27.2 11.0 177 192 A E T 3 S+ 0 0 155 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.812 120.2 45.2 -50.3 -39.7 2.2 30.1 8.8 178 193 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.265 101.5 70.7 -93.3 17.1 2.0 27.9 5.6 179 194 A Q X + 0 0 13 -3,-2.3 3,-1.3 -50,-0.1 -1,-0.2 0.034 54.3 117.8-117.7 26.1 0.3 25.0 7.3 180 195 A T G > + 0 0 56 -3,-0.5 3,-2.1 1,-0.3 4,-0.3 0.533 52.6 87.9 -77.8 -4.5 -3.3 26.4 7.9 181 196 A E G > S+ 0 0 66 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.805 78.6 66.5 -59.3 -26.0 -4.9 23.8 5.7 182 197 A Y G < S+ 0 0 6 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.416 91.6 61.5 -78.4 2.1 -5.1 21.7 8.8 183 198 A L G < S+ 0 0 6 -3,-2.1 2,-0.3 -116,-0.1 -1,-0.3 0.472 84.1 100.9 -94.7 -9.0 -7.6 24.2 10.3 184 199 A E S <> S- 0 0 62 -3,-1.5 4,-2.3 -4,-0.3 5,-0.2 -0.605 71.3-138.5 -88.7 133.9 -10.0 23.5 7.4 185 200 A E H > S+ 0 0 82 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.931 101.3 46.3 -57.8 -49.4 -12.9 21.2 8.2 186 201 A R H > S+ 0 0 185 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 111.1 52.9 -68.8 -27.0 -12.9 19.2 4.9 187 202 A R H > S+ 0 0 41 -6,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.927 111.2 46.7 -72.3 -42.9 -9.1 18.8 5.1 188 203 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 112.5 49.5 -61.7 -46.6 -9.3 17.3 8.7 189 204 A K H X S+ 0 0 116 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.912 109.9 51.9 -56.8 -50.4 -12.2 15.0 7.7 190 205 A E H X S+ 0 0 108 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.926 111.5 46.7 -54.6 -45.9 -10.3 13.8 4.7 191 206 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.893 112.0 48.7 -66.2 -41.0 -7.2 13.0 6.9 192 207 A V H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.945 112.6 49.4 -65.3 -45.7 -9.2 11.2 9.6 193 208 A K H < S+ 0 0 171 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.870 115.8 43.8 -57.9 -40.9 -11.0 9.1 6.9 194 209 A K H < S+ 0 0 122 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 132.2 12.8 -74.3 -40.7 -7.7 8.1 5.2 195 210 A H H < S+ 0 0 46 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.600 131.7 35.1-117.8 -18.5 -5.5 7.3 8.2 196 211 A S S >< S+ 0 0 8 -4,-2.5 3,-1.1 -5,-0.4 -3,-0.1 -0.051 70.4 126.9-133.0 29.4 -7.6 7.0 11.4 197 212 A Q T 3 S+ 0 0 109 -4,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.774 74.8 44.0 -68.7 -27.4 -10.8 5.4 10.1 198 213 A F T 3 S+ 0 0 184 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.099 71.3 142.2-111.1 21.3 -10.9 2.4 12.6 199 214 A I < - 0 0 45 -3,-1.1 2,-0.4 1,-0.1 4,-0.1 -0.395 52.8-132.6 -60.1 133.9 -10.0 4.0 15.9 200 215 A G S S+ 0 0 59 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.078 81.3 68.2 -86.5 37.8 -12.1 2.4 18.6 201 216 A Y S S- 0 0 17 -2,-0.4 -139,-0.2 -138,-0.0 2,-0.1 -0.982 95.7 -90.7-149.1 145.7 -13.2 5.6 20.3 202 217 A P - 0 0 78 0, 0.0 -139,-2.5 0, 0.0 2,-0.5 -0.400 36.8-159.0 -58.5 133.7 -15.5 8.4 19.1 203 218 A I E -c 63 0A 45 -141,-0.2 2,-0.6 -4,-0.1 -139,-0.2 -0.976 6.1-164.4-114.6 115.4 -13.6 11.1 17.2 204 219 A T E -c 64 0A 67 -141,-2.6 -139,-3.1 -2,-0.5 2,-0.9 -0.890 7.5-155.3-105.8 117.9 -15.5 14.5 17.1 205 220 A L E -c 65 0A 39 -2,-0.6 -139,-0.2 -141,-0.2 2,-0.1 -0.822 16.6-148.8 -89.0 108.5 -14.3 17.1 14.6 206 221 A F - 0 0 84 -141,-2.6 2,-0.2 -2,-0.9 -142,-0.0 -0.433 8.4-148.3 -69.5 148.3 -15.4 20.4 16.0 207 222 A V 0 0 91 -2,-0.1 -23,-0.1 -141,-0.1 -1,-0.0 -0.699 360.0 360.0-111.5 172.1 -16.2 23.2 13.5 208 223 A E 0 0 123 -2,-0.2 -140,-0.1 -142,-0.0 -23,-0.0 -0.775 360.0 360.0-107.4 360.0 -15.8 26.9 13.9