==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 24-SEP-07 2VCI . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.BROUGH,W.AHERNE,X.BARRIL,J.BORGOGNONI,K.BOXAL, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 74.0 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 . 15 7.2 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 . 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 0 1 0 0 0 0 0 1 1 1 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 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 0 209 0, 0.0 2,-0.6 0, 0.0 158,-0.4 0.000 360.0 360.0 360.0 -71.4 37.4 27.8 38.8 2 17 A V - 0 0 68 156,-0.1 2,-0.3 154,-0.1 156,-0.2 -0.875 360.0-161.5 -99.2 120.3 39.0 26.8 35.5 3 18 A E E -A 157 0A 91 154,-2.2 154,-2.1 -2,-0.6 2,-0.4 -0.815 8.1-152.6 -93.9 142.5 41.7 24.1 35.4 4 19 A T E -A 156 0A 96 -2,-0.3 2,-0.3 152,-0.2 152,-0.2 -0.962 12.9-175.3-123.9 132.3 44.1 23.9 32.4 5 20 A F E -A 155 0A 53 150,-3.1 150,-2.1 -2,-0.4 2,-0.4 -0.925 24.0-122.7-126.8 148.3 45.7 20.7 31.2 6 21 A A E -A 154 0A 83 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.770 30.9-120.5 -83.3 134.2 48.3 19.8 28.5 7 22 A F - 0 0 12 146,-1.9 -1,-0.0 -2,-0.4 2,-0.0 -0.388 40.6 -95.8 -59.9 146.2 47.2 17.3 26.0 8 23 A Q > - 0 0 73 1,-0.1 4,-2.7 -2,-0.0 3,-0.4 -0.440 42.3-104.2 -55.9 153.5 49.5 14.3 26.0 9 24 A A H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.814 119.6 49.4 -53.2 -39.5 52.2 14.7 23.2 10 25 A E H > S+ 0 0 59 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.904 112.0 45.6 -69.2 -43.7 50.5 12.2 20.9 11 26 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.941 112.2 52.2 -63.6 -46.1 47.0 13.6 21.2 12 27 A A H X S+ 0 0 32 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.899 113.2 46.4 -57.7 -37.1 48.4 17.1 20.7 13 28 A Q H X S+ 0 0 120 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.890 110.5 51.4 -70.4 -45.9 50.2 15.6 17.6 14 29 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.877 110.0 50.3 -51.4 -43.8 47.0 13.9 16.4 15 30 A M H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.869 109.4 49.4 -69.8 -38.8 45.0 17.1 16.6 16 31 A S H X S+ 0 0 63 -4,-1.4 4,-1.8 -5,-0.2 5,-0.2 0.891 111.3 50.8 -65.5 -43.9 47.6 19.1 14.7 17 32 A L H X S+ 0 0 36 -4,-2.4 4,-2.8 2,-0.2 3,-0.3 0.962 111.7 47.1 -53.8 -57.5 47.5 16.3 12.0 18 33 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 117.4 42.8 -49.2 -46.3 43.6 16.6 11.8 19 34 A I H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.762 123.1 35.8 -72.7 -30.2 43.7 20.4 11.6 20 35 A N H < S+ 0 0 117 -4,-1.8 2,-0.3 -3,-0.3 -2,-0.2 0.763 89.8 94.2-106.0 -31.2 46.6 20.7 9.1 21 36 A T S < S- 0 0 64 -4,-2.8 2,-0.3 -5,-0.2 -4,-0.0 -0.517 77.7-122.5 -67.8 123.1 46.3 17.8 6.7 22 37 A F + 0 0 181 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.559 51.2 149.9 -65.7 127.5 44.4 18.6 3.6 23 38 A Y - 0 0 35 -2,-0.3 3,-0.2 105,-0.1 -2,-0.0 -0.787 30.8-164.3-167.0 110.7 41.5 16.1 3.5 24 39 A S S S+ 0 0 90 -2,-0.2 2,-2.5 1,-0.2 3,-0.2 0.769 72.1 84.8 -80.3 -28.5 38.1 17.1 1.9 25 40 A N > + 0 0 65 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 -0.142 50.0 147.1 -69.4 44.6 35.9 14.3 3.3 26 41 A K T > + 0 0 39 -2,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.520 47.4 82.9 -62.5 -6.3 35.3 16.4 6.5 27 42 A E T >> + 0 0 17 1,-0.3 3,-1.5 -3,-0.2 4,-0.6 0.597 68.0 80.4 -81.2 -13.4 31.7 15.1 7.0 28 43 A I H <> S+ 0 0 1 -3,-1.3 4,-2.4 1,-0.3 3,-0.3 0.731 71.5 82.7 -64.3 -20.2 32.7 11.9 8.7 29 44 A F H <> S+ 0 0 0 -3,-1.2 4,-1.1 1,-0.3 -1,-0.3 0.811 90.4 50.8 -55.0 -30.0 33.2 14.0 11.9 30 45 A L H <> S+ 0 0 2 -3,-1.5 4,-2.3 2,-0.2 5,-0.3 0.874 106.0 52.5 -80.8 -38.3 29.4 13.6 12.5 31 46 A R H X S+ 0 0 57 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.934 108.7 52.3 -58.8 -44.6 29.3 9.9 12.1 32 47 A E H X S+ 0 0 13 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.788 112.1 44.6 -64.2 -30.8 32.1 9.6 14.6 33 48 A L H X S+ 0 0 5 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.840 112.5 48.6 -81.6 -42.2 30.2 11.7 17.2 34 49 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.832 111.4 54.5 -60.4 -36.4 26.8 10.0 16.8 35 50 A S H X S+ 0 0 44 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.914 107.7 47.8 -71.6 -32.3 28.8 6.7 17.1 36 51 A N H X S+ 0 0 61 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.870 112.0 50.2 -69.1 -36.2 30.3 7.9 20.4 37 52 A S H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 3,-0.2 0.944 108.5 51.6 -64.9 -51.5 26.8 8.9 21.6 38 53 A S H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 3,-0.4 0.948 110.7 49.6 -47.5 -55.1 25.4 5.5 20.6 39 54 A D H X S+ 0 0 76 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.826 111.6 47.6 -48.1 -47.0 28.3 3.8 22.6 40 55 A A H X S+ 0 0 17 -4,-1.8 41,-2.3 -3,-0.2 4,-1.3 0.740 112.2 51.3 -67.2 -29.8 27.6 6.0 25.7 41 56 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.4 -2,-0.2 0.855 106.0 53.5 -78.1 -41.6 23.9 5.2 25.3 42 57 A D H X S+ 0 0 77 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.876 107.0 54.2 -49.4 -48.4 24.6 1.4 25.1 43 58 A K H X S+ 0 0 122 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.893 109.0 45.2 -61.9 -44.9 26.5 1.7 28.4 44 59 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.919 114.3 50.6 -69.8 -37.7 23.7 3.3 30.3 45 60 A R H X S+ 0 0 123 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.983 110.7 48.3 -55.7 -53.6 21.3 0.7 28.8 46 61 A Y H >X S+ 0 0 176 -4,-3.4 4,-0.7 1,-0.2 3,-0.5 0.883 113.9 47.3 -54.2 -41.5 23.6 -2.2 29.8 47 62 A E H 3X S+ 0 0 62 -4,-2.2 4,-1.7 1,-0.2 3,-0.5 0.861 107.3 54.8 -67.3 -40.8 23.9 -0.8 33.4 48 63 A S H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.606 91.9 74.6 -70.1 -19.1 20.2 -0.1 33.8 49 64 A L H << S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.982 113.1 23.5 -55.9 -52.0 19.4 -3.8 33.0 50 65 A T H < S+ 0 0 130 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.689 135.9 36.8 -88.9 -27.5 20.7 -4.9 36.4 51 66 A D >< - 0 0 57 -4,-1.7 3,-2.0 1,-0.1 -1,-0.2 -0.729 62.9-178.8-127.4 90.0 20.1 -1.5 38.2 52 67 A P G > S+ 0 0 93 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.679 76.4 73.8 -58.8 -20.4 17.0 0.2 36.9 53 68 A S G > S+ 0 0 63 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.651 76.6 78.0 -70.8 -14.5 17.6 3.2 39.2 54 69 A K G X S+ 0 0 49 -3,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.739 89.7 58.7 -62.3 -22.7 20.4 4.4 36.9 55 70 A L G X S+ 0 0 29 -3,-1.3 3,-1.9 -4,-0.2 -1,-0.3 0.410 73.3 96.1 -89.1 6.5 17.6 5.6 34.7 56 71 A D G < S+ 0 0 136 -3,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.810 79.3 61.2 -66.2 -26.0 16.2 8.0 37.3 57 72 A S G < S- 0 0 41 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.336 133.6 -28.0 -78.0 6.3 18.2 10.8 35.7 58 73 A G < - 0 0 29 -3,-1.9 -1,-0.3 108,-0.1 -2,-0.1 -0.184 46.8-156.5 142.7 124.3 16.3 10.2 32.5 59 74 A K + 0 0 173 -3,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.641 69.9 94.3 -90.7 -20.3 14.6 7.2 30.9 60 75 A E - 0 0 137 -5,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.641 56.4-163.6 -80.0 127.0 14.7 8.4 27.3 61 76 A L + 0 0 16 -2,-0.4 2,-0.3 17,-0.1 19,-0.0 -0.928 37.1 115.1-116.2 116.0 17.7 7.3 25.3 62 77 A H - 0 0 28 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.951 53.4-119.0-170.8 172.4 18.2 9.3 22.1 63 78 A I E -Bc 78 203A 0 139,-2.4 141,-2.3 -2,-0.3 2,-0.4 -0.986 20.4-162.4-134.4 136.0 20.5 11.7 20.2 64 79 A N E -Bc 77 204A 22 13,-2.9 13,-2.3 -2,-0.4 2,-0.5 -0.970 6.7-156.0-124.2 141.5 19.6 15.3 19.1 65 80 A L E -Bc 76 205A 0 139,-3.0 141,-2.8 -2,-0.4 11,-0.2 -0.988 16.8-177.6-119.1 125.9 21.4 17.4 16.5 66 81 A I E -B 75 0A 47 9,-2.1 9,-1.3 -2,-0.5 2,-0.3 -0.905 5.8-168.4-134.9 97.1 20.8 21.1 17.0 67 82 A P E -B 74 0A 9 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.643 1.6-169.4 -86.3 151.1 22.3 23.7 14.6 68 83 A N E >> -B 73 0A 43 5,-2.5 5,-1.5 -2,-0.3 4,-1.3 -0.903 7.9-171.6-135.7 107.4 22.3 27.3 15.5 69 84 A K T 45S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.733 85.7 57.6 -71.9 -20.2 23.2 29.7 12.6 70 85 A Q T 45S+ 0 0 150 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.914 117.4 31.3 -74.2 -42.8 23.4 32.7 14.9 71 86 A D T 45S- 0 0 109 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.557 103.2-128.9 -91.4 -12.4 26.1 31.2 17.2 72 87 A R T <5 + 0 0 74 -4,-1.3 103,-2.3 1,-0.2 2,-0.3 0.898 63.7 131.5 62.5 45.5 27.7 29.1 14.4 73 88 A T E < -BD 68 174A 11 -5,-1.5 -5,-2.5 101,-0.2 2,-0.4 -0.936 46.2-160.2-123.4 146.0 27.5 25.9 16.5 74 89 A L E -BD 67 173A 0 99,-1.5 99,-3.3 -2,-0.3 2,-0.4 -0.987 20.6-163.2-116.4 136.2 26.3 22.4 15.8 75 90 A T E -BD 66 172A 18 -9,-1.3 -9,-2.1 -2,-0.4 2,-0.6 -0.982 12.8-160.2-126.5 127.2 25.5 20.5 19.1 76 91 A I E -BD 65 171A 1 95,-1.9 95,-2.6 -2,-0.4 2,-0.4 -0.981 16.9-175.0-106.0 110.4 25.2 16.7 19.5 77 92 A V E +BD 64 170A 21 -13,-2.3 -13,-2.9 -2,-0.6 2,-0.3 -0.938 4.8 175.6-103.2 134.3 23.3 15.9 22.7 78 93 A D E -BD 63 169A 5 91,-2.4 91,-0.9 -2,-0.4 -15,-0.2 -0.912 34.9-135.7-131.2 154.5 22.8 12.3 23.9 79 94 A T + 0 0 26 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.069 62.1 135.4-100.0 34.8 21.2 10.9 27.1 80 95 A G S S- 0 0 0 -18,-0.2 -39,-0.3 89,-0.2 -42,-0.1 0.159 75.6 -73.5 -70.4-169.7 24.1 8.4 27.5 81 96 A I - 0 0 20 -41,-2.3 59,-0.5 1,-0.1 87,-0.2 0.721 66.9-149.2 -67.4 -21.8 26.1 7.4 30.5 82 97 A G - 0 0 4 57,-0.1 2,-0.3 85,-0.1 87,-0.1 0.016 15.5 -86.9 76.4 170.2 28.1 10.7 30.6 83 98 A M - 0 0 32 85,-0.3 56,-0.5 62,-0.1 62,-0.2 -0.904 26.2-132.0-121.0 148.1 31.6 11.2 31.8 84 99 A T > - 0 0 25 -2,-0.3 4,-2.5 54,-0.1 3,-0.4 -0.570 38.6-101.7 -86.8 162.9 33.1 11.9 35.3 85 100 A K H > S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.890 127.1 53.4 -50.8 -42.3 35.7 14.6 35.7 86 101 A A H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.927 108.4 49.7 -57.5 -45.2 38.3 11.9 35.8 87 102 A D H 4 S+ 0 0 64 -3,-0.4 6,-2.1 1,-0.2 5,-0.4 0.905 110.0 50.9 -62.2 -42.5 37.0 10.5 32.5 88 103 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 4,-0.3 -1,-0.2 0.922 112.6 44.5 -59.9 -50.0 37.1 13.9 30.9 89 104 A I H < S+ 0 0 45 -4,-2.4 2,-2.5 1,-0.2 -2,-0.2 0.910 103.0 67.9 -61.5 -46.9 40.7 14.6 31.9 90 105 A N T >X S- 0 0 99 -4,-2.8 3,-1.3 -5,-0.2 4,-0.6 -0.424 136.5 -73.3 -75.1 71.4 41.8 11.1 30.8 91 106 A N G >4 S- 0 0 11 -2,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.768 84.5 -62.3 42.8 46.3 41.1 11.9 27.2 92 107 A L G 3< S- 0 0 17 -4,-1.8 -4,-0.3 -5,-0.4 -1,-0.2 0.876 100.3 -54.2 53.9 42.0 37.3 11.9 27.3 93 108 A G G <4 S+ 0 0 47 -6,-2.1 2,-0.3 -3,-1.3 -1,-0.2 0.673 110.2 118.9 75.2 17.1 37.1 8.2 28.3 94 109 A T S << S- 0 0 39 -3,-1.0 2,-1.3 -4,-0.6 3,-0.2 -0.766 75.1-119.3-118.4 158.7 39.3 6.9 25.4 95 110 A I > + 0 0 120 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.486 54.2 158.5 -86.0 62.9 42.6 5.0 25.1 96 111 A A H > + 0 0 1 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.802 57.9 55.2 -71.8 -34.6 43.9 8.0 23.1 97 112 A K H > S+ 0 0 117 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.965 119.3 32.3 -61.8 -51.8 47.7 7.6 23.5 98 113 A S H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.762 116.2 59.7 -74.7 -29.4 47.8 4.1 22.1 99 114 A G H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.916 107.3 44.8 -61.1 -49.0 44.9 4.8 19.8 100 115 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.839 111.5 55.1 -62.0 -36.7 46.9 7.6 18.1 101 116 A K H >X S+ 0 0 127 -4,-1.4 4,-2.2 -5,-0.2 3,-0.8 0.996 111.8 42.2 -53.1 -71.3 49.9 5.2 18.1 102 117 A A H 3X S+ 0 0 32 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.838 115.6 51.5 -38.8 -50.7 47.8 2.6 16.2 103 118 A F H 3X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.849 110.3 45.7 -62.9 -40.5 46.3 5.3 13.9 104 119 A M H S+ 0 0 21 -4,-1.4 5,-1.1 -5,-0.3 -2,-0.2 0.845 107.3 55.8 -79.4 -39.2 47.8 2.6 10.1 107 122 A L H ><5S+ 0 0 46 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.873 107.6 51.4 -60.2 -36.1 48.2 5.9 8.3 108 123 A Q H 3<5S+ 0 0 87 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.991 109.8 48.4 -57.9 -61.3 51.7 4.7 7.4 109 124 A A T 3<5S- 0 0 92 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.040 135.3 -75.2 -71.4 22.2 50.3 1.3 6.1 110 125 A G T < 5S+ 0 0 73 -3,-0.9 2,-0.3 -2,-0.4 -3,-0.2 0.864 82.5 134.2 93.4 39.0 47.6 2.9 3.9 111 126 A A < - 0 0 20 -5,-1.1 -1,-0.3 -4,-0.2 2,-0.2 -0.816 39.6-142.3-110.2 155.5 44.6 4.1 5.9 112 127 A D > - 0 0 69 -2,-0.3 3,-2.0 1,-0.0 4,-0.1 -0.705 32.9 -95.2-113.3 170.6 42.9 7.5 5.5 113 128 A I G > S+ 0 0 8 1,-0.3 3,-3.3 -2,-0.2 4,-0.2 0.860 115.5 72.0 -51.6 -42.1 41.5 9.9 8.1 114 129 A S G 3 S+ 0 0 26 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.619 91.9 61.7 -49.4 -13.3 37.9 8.5 7.7 115 130 A M G X + 0 0 48 -3,-2.0 3,-2.5 1,-0.2 4,-0.4 0.508 68.4 109.3 -96.3 -3.3 39.2 5.5 9.6 116 131 A I G X >S+ 0 0 0 -3,-3.3 5,-1.2 1,-0.3 3,-1.2 0.716 70.7 61.8 -40.3 -35.5 40.1 7.4 12.7 117 132 A G G > 5S+ 0 0 28 -3,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.683 86.2 69.1 -77.2 -22.5 37.2 5.8 14.6 118 133 A Q G < 5S+ 0 0 144 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.599 101.3 52.1 -68.0 -8.7 38.5 2.2 14.3 119 134 A F G < 5S- 0 0 44 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.388 117.6-113.8-104.2 1.1 41.3 3.4 16.7 120 135 A G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.1 -25,-0.2 0.689 93.9 99.0 82.8 19.5 38.9 4.8 19.2 121 136 A V > < + 0 0 0 -5,-1.2 3,-1.4 -22,-0.1 4,-0.3 -0.016 34.4 126.9-127.0 26.8 39.9 8.4 18.8 122 137 A G G > + 0 0 1 1,-0.3 3,-2.1 -5,-0.2 4,-0.2 0.754 58.8 76.5 -56.2 -31.3 37.0 9.5 16.5 123 138 A F G > S+ 0 0 10 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.830 86.0 61.0 -47.0 -40.8 36.1 12.4 18.8 124 139 A Y G X S+ 0 0 1 -3,-1.4 3,-2.1 1,-0.3 -1,-0.3 0.670 80.9 82.0 -71.7 -11.6 39.1 14.4 17.6 125 140 A S G X S+ 0 0 0 -3,-2.1 3,-1.6 1,-0.3 4,-0.3 0.674 71.8 81.6 -66.3 -11.7 37.6 14.3 14.1 126 141 A A G X> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 3,-1.4 0.805 79.1 66.7 -55.4 -32.6 35.6 17.2 15.4 127 142 A Y G <4 S+ 0 0 2 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.602 81.5 77.0 -73.7 -8.1 38.7 19.4 14.6 128 143 A L G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.860 119.6 7.9 -57.8 -39.1 38.1 18.8 10.9 129 144 A V T <4 S+ 0 0 0 -3,-1.4 47,-3.3 -4,-0.3 2,-0.3 0.609 118.2 74.8-121.9 -18.5 35.2 21.4 11.1 130 145 A A E < -E 175 0A 2 -4,-2.3 45,-0.2 45,-0.3 3,-0.1 -0.778 46.9-167.2-104.1 141.8 35.3 23.1 14.5 131 146 A E E S+ 0 0 107 43,-2.7 2,-0.3 1,-0.4 44,-0.1 0.681 88.5 21.3 -96.1 -24.0 37.8 25.7 15.8 132 147 A K E -E 174 0A 67 42,-1.1 42,-2.5 18,-0.1 2,-0.4 -0.987 69.6-164.3-134.1 143.8 36.6 25.2 19.5 133 148 A V E -EF 173 149A 0 16,-2.4 16,-2.0 -2,-0.3 2,-0.4 -1.000 3.3-169.1-127.9 128.9 34.8 22.2 20.9 134 149 A T E -EF 172 148A 6 38,-2.0 38,-3.2 -2,-0.4 2,-0.5 -0.950 3.5-163.5-114.3 130.7 33.0 22.4 24.3 135 150 A V E -EF 171 147A 1 12,-2.9 12,-2.6 -2,-0.4 2,-0.4 -0.958 2.6-170.0-119.0 106.2 31.8 19.1 25.9 136 151 A I E +EF 170 146A 9 34,-2.0 34,-2.8 -2,-0.5 2,-0.3 -0.851 19.8 175.5 -85.9 134.4 29.2 19.4 28.7 137 152 A T E -EF 169 145A 0 8,-2.4 8,-1.9 -2,-0.4 2,-0.3 -0.988 22.3-170.0-144.2 144.6 28.8 16.1 30.4 138 153 A K E -EF 168 144A 36 30,-3.0 30,-2.0 -2,-0.3 2,-0.3 -0.877 6.2-177.2-141.3 114.4 26.9 14.6 33.4 139 154 A H > - 0 0 22 4,-0.5 3,-1.7 -56,-0.5 -57,-0.1 -0.804 37.3-117.7-103.0 148.0 27.4 11.1 34.8 140 155 A N T 3 S+ 0 0 49 -59,-0.5 -1,-0.1 -2,-0.3 -58,-0.1 0.805 112.6 55.6 -49.3 -34.3 25.3 9.7 37.7 141 156 A D T 3 S+ 0 0 126 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.265 114.4 26.7 -87.7 16.7 28.4 9.4 39.9 142 157 A D S < S- 0 0 39 -3,-1.7 2,-0.1 -58,-0.0 -58,-0.0 -0.888 83.2 -83.8-163.6 174.0 29.5 13.1 39.6 143 158 A E - 0 0 128 -2,-0.2 -4,-0.5 1,-0.1 2,-0.4 -0.283 57.3 -81.8 -86.5 179.3 28.6 16.8 39.1 144 159 A Q E -F 138 0A 13 16,-0.3 16,-3.0 -6,-0.1 2,-0.3 -0.752 52.5-177.2 -90.5 128.4 28.2 18.5 35.6 145 160 A Y E -FG 137 159A 23 -8,-1.9 -8,-2.4 -2,-0.4 2,-0.4 -0.892 23.2-145.4-126.3 159.6 31.4 19.6 33.9 146 161 A A E -FG 136 158A 0 12,-2.2 12,-2.3 -2,-0.3 2,-0.3 -0.995 13.0-168.4-124.8 118.0 32.4 21.4 30.8 147 162 A W E -FG 135 157A 2 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.3 -0.827 16.2-178.7 -97.5 143.7 35.6 20.4 29.0 148 163 A E E +FG 134 156A 52 8,-2.3 8,-2.4 -2,-0.3 2,-0.3 -0.999 12.9 166.3-151.3 144.5 36.9 22.8 26.3 149 164 A S E -F 133 0A 5 -16,-2.0 -16,-2.4 -2,-0.3 6,-0.1 -0.950 29.1-171.2-158.7 137.6 39.7 23.1 23.7 150 165 A S - 0 0 75 1,-0.6 5,-0.1 4,-0.4 -18,-0.1 -0.098 61.1-117.2-103.5 25.7 40.6 25.2 20.7 151 166 A A S S+ 0 0 14 3,-0.2 -1,-0.6 -18,-0.1 3,-0.4 -0.232 72.3 129.3 63.9-160.1 43.5 22.7 20.3 152 167 A G S S- 0 0 80 -140,-0.2 -1,-0.1 1,-0.2 -140,-0.1 0.739 99.6 -61.8 85.9 18.5 47.0 24.3 20.6 153 168 A G S S+ 0 0 31 -141,-0.1 -146,-1.9 1,-0.1 2,-0.3 0.389 113.4 74.7 99.4 -4.3 48.2 21.8 23.1 154 169 A S E -A 6 0A 48 -3,-0.4 -4,-0.4 -148,-0.3 2,-0.3 -1.000 48.0-167.3-143.9 148.4 45.8 22.4 26.0 155 170 A F E -A 5 0A 6 -150,-2.1 -150,-3.1 -2,-0.3 2,-0.3 -0.873 15.2-139.5-124.4 162.3 42.2 21.9 27.3 156 171 A T E -AG 4 148A 33 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.846 8.6-165.0-116.3 153.6 40.3 23.3 30.2 157 172 A V E +AG 3 147A 1 -154,-2.1 -154,-2.2 -2,-0.3 2,-0.3 -0.972 17.9 158.7-135.6 126.3 37.8 21.6 32.6 158 173 A R E - G 0 146A 71 -12,-2.3 -12,-2.2 -2,-0.4 2,-0.3 -0.845 45.8 -96.2-130.6 173.0 35.4 23.6 34.9 159 174 A T E - G 0 145A 79 -158,-0.4 2,-0.5 -2,-0.3 -14,-0.3 -0.723 40.0-130.2 -88.7 145.3 32.2 22.7 36.7 160 175 A D + 0 0 32 -16,-3.0 -16,-0.3 -2,-0.3 -24,-0.0 -0.870 30.4 172.1-105.2 126.6 29.2 23.7 34.7 161 176 A T + 0 0 132 -2,-0.5 -1,-0.1 3,-0.1 -16,-0.0 0.704 54.4 89.5-106.7 -31.7 26.4 25.8 36.5 162 177 A G S S- 0 0 36 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.125 97.3 -9.0 -50.2 163.2 24.2 26.6 33.5 163 178 A E S S- 0 0 155 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.478 71.3-134.4 -0.0 93.9 21.3 24.2 32.5 164 179 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.371 16.3-163.2 -50.9 139.5 21.6 20.9 34.5 165 180 A M - 0 0 41 3,-0.1 2,-1.7 -28,-0.1 -27,-0.1 0.517 19.2-138.4-109.3 -5.9 21.1 18.2 31.9 166 181 A G S S- 0 0 32 -27,-0.1 2,-0.2 2,-0.1 -108,-0.1 -0.209 73.0 -5.6 86.4 -54.9 20.3 15.4 34.2 167 182 A R S S+ 0 0 4 -2,-1.7 2,-0.3 -89,-0.1 -28,-0.2 -0.709 98.1 40.7-176.2 134.9 22.4 12.8 32.4 168 183 A G E S- E 0 138A 0 -30,-2.0 -30,-3.0 -2,-0.2 -85,-0.3 -0.857 71.0 -69.1 130.6-166.1 24.5 12.5 29.1 169 184 A T E -DE 78 137A 11 -91,-0.9 -91,-2.4 -2,-0.3 2,-0.5 -0.971 24.3-162.3-133.4 147.0 26.9 14.5 27.0 170 185 A K E -DE 77 136A 38 -34,-2.8 -34,-2.0 -2,-0.3 2,-0.7 -0.997 6.3-164.3-129.2 114.3 26.6 17.6 24.7 171 186 A V E -DE 76 135A 13 -95,-2.6 -95,-1.9 -2,-0.5 2,-0.6 -0.937 7.9-163.3-103.5 110.2 29.4 18.3 22.2 172 187 A I E -DE 75 134A 32 -38,-3.2 -38,-2.0 -2,-0.7 2,-0.7 -0.876 3.6-157.0 -95.6 119.5 29.1 21.9 21.0 173 188 A L E -DE 74 133A 0 -99,-3.3 -99,-1.5 -2,-0.6 2,-1.0 -0.881 6.4-156.2 -99.5 110.0 31.1 22.4 17.8 174 189 A H E -DE 73 132A 39 -42,-2.5 -43,-2.7 -2,-0.7 -42,-1.1 -0.760 33.6-137.9 -80.1 103.1 32.0 26.1 17.2 175 190 A L E - E 0 130A 0 -103,-2.3 -45,-0.3 -2,-1.0 2,-0.1 -0.241 8.3-106.6 -78.6 151.6 32.3 25.7 13.5 176 191 A K > - 0 0 41 -47,-3.3 3,-2.8 3,-0.1 -1,-0.1 -0.450 35.4-108.2 -69.5 150.5 35.0 27.1 11.3 177 192 A E T 3 S+ 0 0 158 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.733 118.9 42.0 -49.1 -37.2 34.1 30.1 9.2 178 193 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.193 103.3 70.3-100.6 13.2 34.1 28.1 5.9 179 194 A Q X + 0 0 15 -3,-2.8 3,-1.1 -50,-0.2 -1,-0.2 -0.091 56.1 119.2-120.1 29.7 32.4 25.0 7.4 180 195 A T G > + 0 0 58 -3,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.391 49.8 86.9 -84.0 7.0 28.9 26.3 7.9 181 196 A E G > S+ 0 0 78 1,-0.3 3,-1.9 2,-0.2 6,-0.3 0.747 78.1 70.0 -70.9 -22.4 27.2 23.9 5.5 182 197 A Y G < S+ 0 0 7 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.453 89.8 61.3 -78.0 0.5 27.0 21.6 8.5 183 198 A L G < S+ 0 0 4 -3,-1.3 2,-0.4 -116,-0.1 -1,-0.3 0.354 83.1 103.9-100.2 -1.1 24.4 24.0 9.9 184 199 A E <> - 0 0 82 -3,-1.9 4,-2.6 1,-0.1 5,-0.3 -0.721 69.9-139.8 -90.1 130.7 22.0 23.3 7.0 185 200 A E H > S+ 0 0 88 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.882 103.8 48.4 -51.0 -47.3 19.0 21.1 7.5 186 201 A R H > S+ 0 0 216 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 110.4 49.4 -63.6 -45.4 19.5 19.5 4.1 187 202 A R H > S+ 0 0 43 -6,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.868 112.3 47.6 -64.7 -39.3 23.2 18.8 4.5 188 203 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.938 109.8 51.8 -70.3 -46.8 22.8 17.2 8.0 189 204 A K H X S+ 0 0 115 -4,-2.3 4,-3.4 -5,-0.3 5,-0.2 0.939 109.2 53.0 -44.4 -55.1 19.9 14.9 6.9 190 205 A E H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.863 111.1 44.4 -47.9 -50.4 22.1 13.8 4.0 191 206 A I H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 5,-0.4 0.808 114.7 48.2 -70.2 -34.8 25.1 12.8 6.2 192 207 A V H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.915 113.5 47.1 -73.9 -43.0 22.9 11.1 8.8 193 208 A K H < S+ 0 0 151 -4,-3.4 4,-0.5 -5,-0.3 -2,-0.2 0.929 119.3 42.5 -60.7 -41.2 21.0 9.1 6.1 194 209 A K H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.814 130.5 16.8 -73.1 -40.2 24.4 8.2 4.5 195 210 A H H < S+ 0 0 49 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.592 132.1 33.7-114.4 -13.8 26.6 7.4 7.5 196 211 A S >< + 0 0 7 -4,-1.7 3,-1.2 -5,-0.4 -3,-0.2 0.072 69.0 125.9-137.6 20.1 24.4 6.7 10.4 197 212 A Q T 3 S+ 0 0 114 -4,-0.5 -4,-0.1 1,-0.2 -1,-0.1 0.752 76.8 46.4 -48.6 -29.9 21.2 5.2 9.0 198 213 A F T 3 S+ 0 0 181 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.106 72.5 136.8-116.4 31.1 21.2 2.1 11.3 199 214 A I < - 0 0 45 -3,-1.2 2,-0.2 1,-0.1 4,-0.1 -0.565 56.2-129.7 -74.3 133.5 22.0 3.5 14.8 200 215 A G S S+ 0 0 61 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.086 82.8 62.7 -78.3 25.8 19.8 1.9 17.5 201 216 A Y S S- 0 0 22 -2,-0.2 -139,-0.2 -138,-0.0 -2,-0.1 -0.970 93.4 -92.0-141.7 150.6 18.5 5.2 19.1 202 217 A P - 0 0 79 0, 0.0 -139,-2.4 0, 0.0 2,-0.5 -0.384 32.8-155.6 -61.6 142.9 16.3 8.0 17.7 203 218 A I E -c 63 0A 44 -141,-0.2 2,-0.5 -4,-0.1 -139,-0.2 -0.994 7.5-162.4-121.8 124.2 18.2 10.9 16.2 204 219 A T E -c 64 0A 64 -141,-2.3 -139,-3.0 -2,-0.5 2,-0.7 -0.936 7.4-154.2-113.4 122.5 16.2 14.2 16.1 205 220 A L E -c 65 0A 38 -2,-0.5 -139,-0.2 -141,-0.2 2,-0.2 -0.890 19.5-143.5 -95.6 115.0 17.3 16.9 13.8 206 221 A F - 0 0 89 -141,-2.8 2,-0.2 -2,-0.7 -142,-0.0 -0.495 10.0-137.7 -75.1 154.2 16.1 20.2 15.3 207 222 A V 0 0 110 -2,-0.2 -1,-0.1 -141,-0.1 0, 0.0 -0.613 360.0 360.0-114.5 158.0 14.9 23.1 13.1 208 223 A E 0 0 102 -2,-0.2 -140,-0.1 -140,-0.0 -23,-0.0 -0.911 360.0 360.0-114.4 360.0 15.6 26.8 13.4