==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 17-MAR-11 3R4M . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.J.ALMASSY . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 69.8 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 . 12 5.6 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 . 4 1.9 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 0 169 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.3 25.2 43.1 69.0 2 12 A M - 0 0 186 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.512 360.0-140.0 -72.7 132.0 27.8 45.4 70.6 3 13 A E - 0 0 156 -2,-0.3 2,-0.4 2,-0.0 -1,-0.0 -0.663 8.2-147.6 -90.0 146.9 29.8 43.8 73.4 4 14 A E - 0 0 179 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.947 15.1-176.0-113.3 137.5 30.7 45.7 76.5 5 15 A E - 0 0 91 -2,-0.4 2,-0.3 158,-0.0 -2,-0.0 -0.998 20.7-131.2-133.4 135.1 33.9 45.1 78.5 6 16 A E - 0 0 146 -2,-0.4 158,-0.5 158,-0.0 2,-0.4 -0.623 23.5-169.9 -81.5 139.0 35.2 46.6 81.7 7 17 A V - 0 0 64 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.965 9.2-156.4-125.4 146.5 38.7 47.9 81.9 8 18 A E E -A 162 0A 67 154,-2.1 154,-2.5 -2,-0.4 2,-0.5 -0.991 6.4-158.4-122.2 127.7 40.7 49.1 84.9 9 19 A T E -A 161 0A 97 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.909 14.5-172.5-108.8 129.5 43.6 51.5 84.5 10 20 A F E -A 160 0A 41 150,-3.3 150,-2.1 -2,-0.5 2,-0.4 -0.845 21.8-126.7-120.6 152.8 46.2 51.6 87.3 11 21 A A E -A 159 0A 73 -2,-0.3 148,-0.2 148,-0.2 3,-0.1 -0.839 32.3-117.0 -93.5 136.4 49.2 53.7 88.1 12 22 A F - 0 0 14 146,-2.0 87,-0.2 -2,-0.4 86,-0.1 -0.387 41.0 -91.2 -62.9 147.4 52.5 52.0 88.7 13 23 A Q > - 0 0 40 85,-3.1 4,-2.8 87,-0.1 3,-0.3 -0.334 46.6-106.8 -56.7 145.1 54.0 52.3 92.2 14 24 A A H > S+ 0 0 55 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.841 116.5 40.9 -52.4 -46.4 56.3 55.4 92.2 15 25 A E H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.843 112.7 54.6 -75.1 -32.0 59.6 53.6 92.2 16 26 A I H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.927 109.2 49.4 -63.4 -42.4 58.5 50.9 89.8 17 27 A A H X S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 110.5 50.6 -60.7 -41.5 57.6 53.8 87.4 18 28 A Q H X S+ 0 0 97 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.908 110.5 49.4 -62.2 -41.6 61.0 55.3 88.0 19 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 109.2 51.2 -64.9 -43.0 62.7 51.9 87.2 20 30 A M H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.911 109.8 50.2 -62.4 -41.7 60.7 51.5 84.0 21 31 A S H X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.1 49.4 -61.5 -40.0 61.7 55.0 82.9 22 32 A L H X S+ 0 0 41 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.887 111.8 48.1 -68.6 -38.3 65.4 54.2 83.6 23 33 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.6 41.8 -66.3 -39.3 65.2 50.9 81.7 24 34 A I H < S+ 0 0 71 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.811 119.9 38.7 -80.4 -33.6 63.6 52.5 78.7 25 35 A N H < S+ 0 0 121 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.402 103.9 73.6-106.3 1.0 65.5 55.8 78.4 26 36 A T S < S- 0 0 58 -4,-0.9 2,-0.4 -5,-0.2 0, 0.0 -0.904 81.4-117.4-113.9 144.5 69.0 54.6 79.2 27 37 A F + 0 0 165 -2,-0.4 2,-0.4 0, 0.0 -3,-0.1 -0.661 34.5 178.2 -81.2 130.6 71.3 52.6 77.0 28 38 A Y - 0 0 22 -2,-0.4 3,-0.3 -5,-0.1 2,-0.2 -0.997 19.9-145.8-128.2 136.9 72.3 49.2 78.2 29 39 A S S S+ 0 0 73 -2,-0.4 89,-0.4 1,-0.2 0, 0.0 -0.496 83.9 44.2 -80.5 166.9 74.4 46.5 76.6 30 40 A N > + 0 0 54 -2,-0.2 3,-1.1 1,-0.1 -1,-0.2 0.859 61.7 153.2 68.0 37.7 73.5 42.9 77.2 31 41 A K T > + 0 0 33 -3,-0.3 3,-2.1 1,-0.2 4,-0.2 0.696 53.1 87.2 -68.3 -17.8 69.7 43.4 76.8 32 42 A E T >> + 0 0 22 1,-0.3 3,-1.4 2,-0.1 4,-0.5 0.694 67.2 80.8 -58.6 -17.8 69.4 39.8 75.8 33 43 A I H <> + 0 0 0 -3,-1.1 4,-1.9 1,-0.3 -1,-0.3 0.617 67.8 85.4 -68.5 -8.8 69.0 38.8 79.4 34 44 A F H <> S+ 0 0 0 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.890 87.5 52.8 -56.9 -38.5 65.4 39.8 79.3 35 45 A L H <> S+ 0 0 3 -3,-1.4 4,-2.7 1,-0.2 5,-0.3 0.898 104.4 54.8 -68.3 -38.2 64.5 36.3 78.0 36 46 A R H X S+ 0 0 49 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.920 108.0 50.5 -56.6 -44.2 66.4 34.7 80.9 37 47 A E H X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.901 112.3 45.4 -64.4 -40.8 64.2 36.7 83.4 38 48 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 113.1 48.9 -72.0 -40.4 61.0 35.7 81.7 39 49 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.875 109.0 54.9 -64.6 -35.3 61.9 32.0 81.4 40 50 A S H X S+ 0 0 44 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.916 107.6 49.0 -63.2 -42.7 63.0 32.1 85.1 41 51 A N H X S+ 0 0 71 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 111.8 49.3 -62.6 -41.2 59.5 33.4 86.0 42 52 A S H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 110.0 50.8 -62.1 -45.8 57.9 30.6 83.9 43 53 A S H X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.918 110.3 49.6 -58.8 -44.6 60.1 28.0 85.6 44 54 A D H X S+ 0 0 77 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.895 110.9 49.7 -60.1 -41.1 59.1 29.3 89.0 45 55 A A H X S+ 0 0 15 -4,-2.1 4,-1.7 2,-0.2 41,-1.6 0.827 110.0 51.2 -68.8 -32.0 55.4 29.2 88.0 46 56 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 39,-0.3 -2,-0.2 0.894 107.0 52.8 -72.4 -39.3 55.9 25.6 86.8 47 57 A D H X S+ 0 0 60 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.922 107.8 54.7 -56.8 -43.0 57.5 24.6 90.1 48 58 A K H X S+ 0 0 125 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.919 110.2 41.3 -63.1 -46.3 54.5 26.0 91.8 49 59 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.885 112.9 56.8 -70.2 -34.6 51.8 24.0 90.0 50 60 A R H X S+ 0 0 118 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.942 112.5 39.9 -59.1 -48.8 53.9 20.9 90.1 51 61 A Y H >X S+ 0 0 153 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.875 113.9 53.4 -71.3 -36.5 54.2 21.0 93.9 52 62 A E H >X S+ 0 0 63 -4,-2.3 4,-2.0 -5,-0.3 3,-0.8 0.856 102.6 59.8 -62.4 -33.9 50.5 22.1 94.4 53 63 A S H 3< S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.680 93.0 66.1 -72.2 -16.8 49.5 19.1 92.3 54 64 A L H << S+ 0 0 130 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.838 111.3 34.2 -71.4 -32.9 51.1 16.7 94.8 55 65 A T H << S+ 0 0 129 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.770 137.1 22.0 -89.9 -31.4 48.5 17.8 97.4 56 66 A D >< - 0 0 64 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.3 -0.770 62.4-176.6-140.3 94.1 45.7 18.3 94.9 57 67 A P G > S+ 0 0 95 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.693 79.3 73.5 -65.1 -19.7 46.0 16.4 91.6 58 68 A S G > S+ 0 0 57 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.581 76.4 79.8 -71.9 -7.9 42.8 18.0 90.2 59 69 A K G < S+ 0 0 56 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.582 88.5 57.3 -72.0 -8.6 44.8 21.2 89.9 60 70 A L G X S+ 0 0 33 -3,-1.7 3,-2.2 1,-0.2 -1,-0.3 0.335 73.3 98.2-100.7 4.3 46.1 19.6 86.7 61 71 A D T < S+ 0 0 136 -3,-1.4 3,-0.2 1,-0.3 -1,-0.2 0.835 80.1 60.2 -55.6 -30.9 42.6 19.2 85.3 62 72 A S T 3 S- 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.237 133.5 -37.4 -84.8 13.5 43.5 22.3 83.4 63 73 A G < - 0 0 31 -3,-2.2 -1,-0.3 108,-0.1 -2,-0.1 0.040 44.5-151.8 131.4 123.6 46.4 20.7 81.7 64 74 A K + 0 0 169 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.740 68.0 95.6 -91.7 -25.1 49.0 18.1 82.8 65 75 A E - 0 0 109 -5,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.526 58.2-157.8 -75.1 128.0 51.9 19.0 80.5 66 76 A L + 0 0 18 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.901 39.8 115.6-109.6 108.1 54.5 21.4 82.2 67 77 A H - 0 0 37 -2,-0.7 17,-1.3 139,-0.2 2,-0.4 -0.945 54.3-115.5-161.4 174.2 56.5 23.3 79.6 68 78 A I E -Bc 83 208A 0 139,-2.5 141,-2.4 -2,-0.3 2,-0.4 -0.984 20.4-162.3-125.8 135.1 57.5 26.6 78.0 69 79 A N E -Bc 82 209A 30 13,-2.9 13,-2.9 -2,-0.4 2,-0.5 -0.960 3.9-157.7-116.7 136.7 56.9 27.6 74.4 70 80 A L E -Bc 81 210A 2 139,-3.0 141,-2.7 -2,-0.4 11,-0.2 -0.962 11.6-175.9-111.7 129.7 58.7 30.5 72.6 71 81 A I E -B 80 0A 67 9,-2.9 9,-2.2 -2,-0.5 2,-0.3 -0.831 5.3-170.0-133.6 94.1 56.9 32.0 69.6 72 82 A P E -B 79 0A 11 0, 0.0 2,-0.5 0, 0.0 141,-0.4 -0.634 5.0-165.0 -77.0 138.8 58.6 34.7 67.5 73 83 A N E >> -B 78 0A 45 5,-2.8 5,-1.6 -2,-0.3 4,-0.8 -0.919 11.4-176.1-129.8 106.4 56.3 36.4 65.0 74 84 A K T 45S+ 0 0 103 -2,-0.5 -1,-0.1 3,-0.2 5,-0.1 0.650 80.1 63.3 -77.4 -15.1 58.1 38.4 62.3 75 85 A Q T 45S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.948 120.4 18.6 -74.6 -50.4 54.9 39.7 60.8 76 86 A D T 45S- 0 0 91 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.322 106.4-119.6-103.9 9.0 53.6 41.6 63.8 77 87 A R T <5 + 0 0 82 -4,-0.8 103,-2.0 1,-0.2 2,-0.4 0.911 63.1 140.7 57.6 49.7 57.0 41.8 65.5 78 88 A T E < -BD 73 179A 8 -5,-1.6 -5,-2.8 101,-0.2 2,-0.5 -0.953 41.0-158.1-120.9 143.6 56.1 40.0 68.7 79 89 A L E -BD 72 178A 2 99,-2.0 99,-2.7 -2,-0.4 2,-0.5 -0.985 19.0-163.3-114.2 121.2 58.0 37.5 70.8 80 90 A T E -BD 71 177A 15 -9,-2.2 -9,-2.9 -2,-0.5 2,-0.5 -0.888 10.7-165.4-111.3 131.9 55.7 35.4 72.9 81 91 A I E -BD 70 176A 0 95,-2.6 95,-3.0 -2,-0.5 2,-0.4 -0.970 15.4-175.7-114.6 117.9 56.7 33.4 75.9 82 92 A V E +BD 69 175A 25 -13,-2.9 -13,-2.9 -2,-0.5 2,-0.3 -0.937 5.6 176.3-119.0 133.3 54.0 30.9 77.1 83 93 A D E -BD 68 174A 6 91,-2.7 91,-0.9 -2,-0.4 -15,-0.2 -0.907 32.5-140.3-128.2 163.1 54.1 28.6 80.1 84 94 A T + 0 0 28 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.202 61.1 130.8-109.0 39.0 51.6 26.1 81.7 85 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.131 78.8 -68.4 -76.8-161.9 52.6 27.2 85.2 86 96 A I - 0 0 14 -41,-1.6 59,-0.5 1,-0.1 87,-0.2 0.740 68.3-150.6 -67.8 -24.2 50.3 28.1 88.1 87 97 A G - 0 0 4 85,-0.2 2,-0.4 57,-0.2 57,-0.2 -0.091 19.1 -77.0 75.6 177.0 49.1 31.4 86.5 88 98 A M - 0 0 35 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.958 27.1-143.1-123.2 132.9 48.0 34.5 88.3 89 99 A T > - 0 0 32 -2,-0.4 4,-2.4 54,-0.1 5,-0.2 -0.301 44.5 -95.9 -71.1 169.9 44.8 35.4 90.2 90 100 A K H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 130.0 49.2 -53.6 -43.8 43.6 39.0 89.8 91 101 A A H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 109.6 49.9 -65.3 -42.2 45.4 39.7 93.1 92 102 A D H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 112.1 50.5 -61.8 -38.3 48.6 38.1 92.0 93 103 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.941 113.5 40.8 -68.9 -50.4 48.5 40.1 88.8 94 104 A I H <>S+ 0 0 39 -4,-2.3 5,-2.0 1,-0.2 6,-0.6 0.852 120.0 45.6 -68.4 -34.9 48.0 43.6 90.4 95 105 A N H <5S+ 0 0 66 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.746 119.9 38.6 -82.4 -24.8 50.4 42.9 93.2 96 106 A N H <5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.601 115.2 51.9-101.0 -14.5 53.2 41.4 91.0 97 107 A L T <5S- 0 0 9 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.105 127.5 -48.7-123.3 38.3 52.9 43.7 88.0 98 108 A G T 5S+ 0 0 1 -3,-0.2 -85,-3.1 2,-0.2 -82,-0.2 0.126 109.7 77.6 141.2 -24.7 53.0 47.2 89.3 99 109 A T S - 0 0 80 1,-0.1 3,-1.4 -4,-0.1 4,-0.4 -0.949 7.7-139.1-112.0 134.4 59.2 45.9 95.7 103 113 A S T 3 S+ 0 0 134 -2,-0.4 4,-0.4 1,-0.3 3,-0.1 0.697 99.8 53.2 -67.9 -17.0 61.9 46.1 98.3 104 114 A G T 3> S+ 0 0 12 20,-0.3 4,-2.3 1,-0.1 -1,-0.3 0.542 82.2 88.9 -94.9 -6.4 64.6 45.8 95.7 105 115 A T H <> S+ 0 0 1 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.922 89.1 44.6 -62.1 -48.3 63.6 48.6 93.4 106 116 A K H > S+ 0 0 132 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.931 113.6 50.5 -63.8 -45.4 65.6 51.4 95.1 107 117 A A H > S+ 0 0 51 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.909 110.9 49.4 -58.9 -43.2 68.7 49.4 95.5 108 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.910 108.2 51.5 -66.9 -41.1 68.7 48.3 91.9 109 119 A M H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 111.4 48.6 -64.3 -35.0 68.3 51.8 90.5 110 120 A E H X S+ 0 0 119 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.909 111.2 50.7 -66.9 -41.4 71.2 53.0 92.6 111 121 A A H <>S+ 0 0 24 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.907 110.7 48.7 -62.7 -42.6 73.2 50.0 91.3 112 122 A L H ><5S+ 0 0 10 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.936 109.0 50.9 -63.7 -47.6 72.4 50.8 87.7 113 123 A Q H 3<5S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.734 106.9 57.7 -63.0 -20.7 73.3 54.5 88.1 114 124 A A T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.511 130.0 -95.9 -88.1 -6.6 76.6 53.3 89.6 115 125 A G T < 5 + 0 0 64 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.504 67.0 158.7 110.7 6.2 77.3 51.3 86.4 116 126 A A < - 0 0 34 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.258 48.5-102.4 -62.2 148.1 76.0 47.8 87.3 117 127 A D > - 0 0 65 1,-0.1 3,-2.3 -89,-0.1 4,-0.1 -0.479 24.8-122.2 -73.3 143.9 75.2 45.5 84.3 118 128 A I G > S+ 0 0 1 -89,-0.4 3,-1.9 1,-0.3 4,-0.2 0.710 105.5 79.2 -62.9 -17.8 71.5 45.2 83.6 119 129 A S G > S+ 0 0 32 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.755 78.9 70.2 -59.5 -25.2 71.9 41.4 84.1 120 130 A M G X> S+ 0 0 95 -3,-2.3 3,-0.8 1,-0.2 4,-0.7 0.570 71.1 94.2 -69.5 -8.1 71.8 42.1 87.9 121 131 A I G X4>S+ 0 0 0 -3,-1.9 5,-1.2 1,-0.3 3,-1.0 0.838 75.7 59.9 -59.4 -34.7 68.1 42.9 87.7 122 132 A G G X45S+ 0 0 27 -3,-0.9 3,-1.8 1,-0.3 5,-0.3 0.892 97.6 59.3 -60.6 -39.5 67.0 39.4 88.6 123 133 A Q G <45S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.751 101.7 56.0 -59.5 -26.2 68.8 39.5 91.9 124 134 A F G <<5S- 0 0 59 -3,-1.0 -20,-0.3 -4,-0.7 -1,-0.3 0.387 113.3-114.2 -95.6 2.8 66.7 42.5 92.9 125 135 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 -4,-0.3 3,-0.1 0.606 95.4 92.0 82.8 11.9 63.4 40.9 92.4 126 136 A V > < + 0 0 3 -5,-1.2 3,-1.3 -22,-0.1 4,-0.3 -0.056 38.8 132.0-125.9 31.8 62.2 43.0 89.5 127 137 A G G > + 0 0 5 -5,-0.3 3,-1.9 1,-0.3 4,-0.2 0.777 59.2 71.5 -58.6 -31.1 63.5 41.0 86.6 128 138 A F G > S+ 0 0 21 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.857 87.5 64.2 -53.1 -38.7 60.2 41.1 84.7 129 139 A Y G X S+ 0 0 6 -3,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.621 78.6 82.3 -70.2 -10.4 60.7 44.8 83.8 130 140 A S G X S+ 0 0 0 -3,-1.9 3,-2.1 -4,-0.3 4,-0.5 0.686 72.5 81.6 -62.1 -17.3 63.8 43.9 81.8 131 141 A A G X> S+ 0 0 0 -3,-2.2 4,-2.1 1,-0.3 3,-1.5 0.854 81.0 63.4 -54.3 -33.7 61.2 43.2 79.1 132 142 A Y G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.508 82.6 77.0 -78.7 -0.9 61.1 46.9 78.4 133 143 A L G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 -102,-0.1 -2,-0.2 0.834 118.3 13.2 -65.2 -34.1 64.7 46.7 77.3 134 144 A V T <4 S+ 0 0 0 -3,-1.5 47,-2.9 -4,-0.5 2,-0.4 0.589 119.7 71.0-119.1 -17.0 63.5 45.2 74.1 135 145 A A E < -E 180 0A 2 -4,-2.1 45,-0.3 45,-0.3 3,-0.1 -0.869 49.1-165.2-112.2 138.5 59.7 45.8 74.1 136 146 A E E S+ 0 0 108 43,-2.5 2,-0.3 -2,-0.4 44,-0.1 0.690 88.7 19.2 -86.7 -23.5 57.8 49.1 73.6 137 147 A K E -E 179 0A 65 42,-1.2 42,-2.7 -6,-0.1 2,-0.4 -0.993 69.1-159.9-145.7 143.0 54.6 47.4 74.9 138 148 A V E -EF 178 154A 0 16,-2.2 16,-2.0 -2,-0.3 2,-0.4 -0.991 2.4-167.2-127.1 132.3 54.1 44.2 76.9 139 149 A T E -EF 177 153A 14 38,-2.3 38,-3.5 -2,-0.4 2,-0.5 -0.970 4.6-165.0-117.0 131.6 50.9 42.2 77.2 140 150 A V E -EF 176 152A 1 12,-3.2 12,-3.2 -2,-0.4 2,-0.4 -0.966 3.8-172.8-120.6 117.5 50.4 39.5 79.8 141 151 A I E +EF 175 151A 12 34,-2.8 34,-3.3 -2,-0.5 2,-0.3 -0.919 16.0 174.6-105.3 134.6 47.6 37.0 79.6 142 152 A T E -EF 174 150A 0 8,-2.3 8,-2.5 -2,-0.4 2,-0.4 -0.996 20.2-170.3-147.4 145.2 47.2 34.7 82.6 143 153 A K E -E 173 0A 42 30,-2.8 30,-2.7 -2,-0.3 2,-0.3 -0.966 6.7-174.7-140.2 120.1 44.9 32.0 83.9 144 154 A H > - 0 0 33 4,-0.5 3,-1.6 -56,-0.4 -57,-0.2 -0.849 41.3 -90.3-109.9 147.2 44.9 30.5 87.4 145 155 A N T 3 S+ 0 0 21 -59,-0.5 3,-0.1 -2,-0.3 -1,-0.1 -0.272 111.9 14.5 -52.4 138.4 42.8 27.6 88.5 146 156 A D T 3 S+ 0 0 169 1,-0.2 2,-0.3 -57,-0.0 -1,-0.3 0.673 115.5 84.5 70.5 17.1 39.4 28.7 89.9 147 157 A D S < S- 0 0 46 -3,-1.6 -1,-0.2 -58,-0.0 2,-0.1 -0.913 81.6 -98.6-138.4 168.3 39.8 32.3 88.5 148 158 A E - 0 0 114 -2,-0.3 -4,-0.5 -3,-0.1 2,-0.4 -0.380 43.6 -94.0 -83.0 166.7 39.0 33.9 85.2 149 159 A Q - 0 0 17 16,-0.3 16,-3.0 -6,-0.2 2,-0.3 -0.682 46.6-161.3 -81.9 132.9 41.6 34.7 82.4 150 160 A Y E -FG 142 164A 19 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.5 -0.862 13.9-148.2-119.5 149.7 43.0 38.2 82.7 151 161 A A E -FG 141 163A 11 12,-3.0 12,-1.8 -2,-0.3 2,-0.4 -0.978 13.4-174.2-117.4 123.1 44.9 40.5 80.3 152 162 A W E +FG 140 162A 0 -12,-3.2 -12,-3.2 -2,-0.5 2,-0.3 -0.891 10.9 174.0-107.9 141.4 47.5 43.0 81.7 153 163 A E E +FG 139 161A 60 8,-1.8 8,-2.4 -2,-0.4 2,-0.3 -0.990 8.6 168.3-149.7 144.2 49.1 45.5 79.3 154 164 A S E -F 138 0A 4 -16,-2.0 -16,-2.2 -2,-0.3 6,-0.1 -0.959 27.5-172.0-154.1 138.2 51.4 48.5 79.6 155 165 A S - 0 0 74 1,-0.6 5,-0.1 4,-0.3 -18,-0.1 -0.039 57.5-121.4-105.1 25.8 53.4 50.7 77.2 156 166 A A S > S+ 0 0 15 3,-0.3 3,-0.9 1,-0.1 -1,-0.6 -0.357 72.4 128.1 65.3-148.5 55.0 52.2 80.4 157 167 A G T 3 S- 0 0 85 1,-0.2 -1,-0.1 -140,-0.2 3,-0.1 0.588 102.1 -62.7 73.6 7.1 54.5 55.9 80.8 158 168 A G T 3 S+ 0 0 24 1,-0.2 -146,-2.0 -141,-0.1 2,-0.3 0.326 112.4 77.2 108.2 -7.0 53.2 55.3 84.3 159 169 A S E < -A 11 0A 59 -3,-0.9 -3,-0.3 -148,-0.2 -4,-0.3 -0.921 45.2-173.6-134.3 157.2 50.1 53.2 83.8 160 170 A F E -A 10 0A 2 -150,-2.1 -150,-3.3 -2,-0.3 2,-0.3 -0.950 17.0-135.5-139.6 164.0 48.9 49.7 83.0 161 171 A T E -AG 9 153A 26 -8,-2.4 -8,-1.8 -2,-0.3 2,-0.4 -0.910 10.2-165.9-119.3 149.5 45.5 48.2 82.4 162 172 A V E +AG 8 152A 1 -154,-2.5 -154,-2.1 -2,-0.3 2,-0.3 -1.000 17.9 157.9-130.2 137.1 43.8 45.0 83.6 163 173 A R E - G 0 151A 78 -12,-1.8 -12,-3.0 -2,-0.4 2,-0.4 -0.980 48.1 -95.5-148.4 158.4 40.7 43.4 82.1 164 174 A T E - G 0 150A 60 -158,-0.5 2,-0.5 -2,-0.3 -14,-0.3 -0.650 50.9-118.6 -73.1 131.5 39.0 40.0 82.0 165 175 A D + 0 0 41 -16,-3.0 -16,-0.3 -2,-0.4 -1,-0.1 -0.626 33.7 177.6 -84.9 120.7 40.2 38.4 78.8 166 176 A T + 0 0 97 -2,-0.5 -1,-0.1 3,-0.0 -16,-0.0 0.279 57.9 94.9 -98.0 8.4 37.5 37.6 76.3 167 177 A G S S- 0 0 38 1,-0.2 -18,-0.1 -18,-0.1 -2,-0.0 0.114 91.2 -28.8 -83.8-159.1 40.1 36.3 73.8 168 178 A E S S- 0 0 163 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.325 73.3-116.9 -60.4 123.3 41.4 32.8 73.1 169 179 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.345 21.5-155.8 -64.3 135.1 41.2 30.7 76.3 170 180 A M - 0 0 29 1,-0.1 3,-0.1 3,-0.1 -28,-0.0 -0.860 14.8-139.1 -98.5 146.5 44.3 29.3 77.9 171 181 A G S S- 0 0 48 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.969 75.9 -35.5 -67.9 -52.4 43.9 26.2 80.1 172 182 A R S S+ 0 0 8 -89,-0.1 -1,-0.3 -3,-0.1 2,-0.3 -0.903 99.5 54.4-168.2 140.8 46.3 27.4 82.8 173 183 A G E S- E 0 143A 0 -30,-2.7 -30,-2.8 -2,-0.3 -85,-0.4 -0.879 72.0 -66.9 132.4-162.8 49.5 29.4 82.8 174 184 A T E -DE 83 142A 13 -91,-0.9 -91,-2.7 -2,-0.3 2,-0.5 -0.993 26.0-163.3-138.4 139.9 50.9 32.7 81.6 175 185 A K E -DE 82 141A 51 -34,-3.3 -34,-2.8 -2,-0.4 2,-0.6 -0.989 6.5-163.6-124.2 120.4 51.6 34.2 78.2 176 186 A V E -DE 81 140A 13 -95,-3.0 -95,-2.6 -2,-0.5 2,-0.6 -0.927 5.5-163.3-107.6 119.1 53.9 37.2 77.9 177 187 A I E -DE 80 139A 31 -38,-3.5 -38,-2.3 -2,-0.6 2,-0.7 -0.892 2.7-159.7-107.7 114.4 53.7 39.0 74.6 178 188 A L E -DE 79 138A 0 -99,-2.7 -99,-2.0 -2,-0.6 2,-1.0 -0.838 6.5-156.6 -98.6 113.5 56.6 41.3 73.8 179 189 A H E -DE 78 137A 42 -42,-2.7 -43,-2.5 -2,-0.7 -42,-1.2 -0.787 31.9-137.3 -86.1 102.2 55.8 44.0 71.2 180 190 A L E - E 0 135A 0 -103,-2.0 -45,-0.3 -2,-1.0 5,-0.1 -0.281 5.6-114.2 -75.9 143.6 59.4 44.6 70.1 181 191 A K > - 0 0 44 -47,-2.9 3,-2.4 1,-0.1 -1,-0.1 -0.388 36.5-108.4 -65.2 151.8 61.0 47.9 69.4 182 192 A E G > S+ 0 0 153 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.754 118.2 49.9 -61.1 -26.1 62.0 48.4 65.8 183 193 A D G 3 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.315 103.0 62.5 -94.7 8.2 65.7 48.1 66.6 184 194 A Q G X + 0 0 15 -3,-2.4 3,-1.4 -50,-0.2 -1,-0.2 0.031 60.1 118.3-119.3 26.5 65.4 44.9 68.6 185 195 A T G X + 0 0 63 -3,-0.5 3,-1.8 1,-0.3 4,-0.2 0.570 52.7 87.3 -73.3 -6.1 64.0 42.5 66.0 186 196 A E G > S+ 0 0 80 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.782 76.3 69.8 -61.0 -23.5 67.0 40.2 66.3 187 197 A Y G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.284 89.6 61.7 -83.0 14.8 65.1 38.5 69.1 188 198 A L G < S+ 0 0 10 -3,-1.8 2,-0.3 -116,-0.1 -1,-0.3 0.410 82.8 100.8-107.3 -6.6 62.7 37.1 66.4 189 199 A E S <> S- 0 0 86 -3,-1.6 4,-2.3 -4,-0.2 5,-0.2 -0.648 71.4-139.4 -84.7 134.3 65.5 35.2 64.7 190 200 A E H > S+ 0 0 101 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.887 101.9 52.3 -60.8 -40.3 65.7 31.5 65.5 191 201 A R H > S+ 0 0 196 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.4 46.5 -63.5 -40.4 69.5 31.5 65.7 192 202 A R H > S+ 0 0 45 -6,-0.3 4,-2.2 2,-0.2 5,-0.2 0.897 111.8 49.8 -71.2 -41.1 69.5 34.4 68.2 193 203 A I H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.928 112.4 47.6 -63.9 -44.3 66.8 32.9 70.4 194 204 A K H X S+ 0 0 127 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.913 110.2 55.1 -61.2 -40.8 68.7 29.5 70.5 195 205 A E H X S+ 0 0 94 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.934 112.0 39.8 -57.5 -49.9 71.9 31.4 71.3 196 206 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.4 0.758 113.2 54.1 -80.9 -22.0 70.6 33.2 74.3 197 207 A V H X S+ 0 0 30 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.915 113.0 45.0 -70.4 -42.0 68.6 30.2 75.6 198 208 A K H < S+ 0 0 131 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.893 118.1 44.2 -64.6 -40.1 71.8 28.2 75.5 199 209 A K H < S+ 0 0 120 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.895 132.1 13.8 -73.6 -41.3 73.8 31.0 77.1 200 210 A H H < S+ 0 0 49 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.634 129.1 39.0-116.0 -19.5 71.5 32.0 79.9 201 211 A S >< + 0 0 9 -4,-1.9 3,-0.7 -5,-0.4 -2,-0.1 -0.138 68.3 121.6-130.2 40.8 68.7 29.4 80.4 202 212 A Q T 3 S+ 0 0 115 -4,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.694 73.3 52.4 -81.0 -19.2 70.4 26.0 79.9 203 213 A F T 3 S+ 0 0 190 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.349 70.7 135.4-103.1 6.1 69.5 24.5 83.3 204 214 A I < - 0 0 45 -3,-0.7 4,-0.1 1,-0.1 -164,-0.0 -0.322 53.6-138.5 -56.5 133.4 65.8 25.2 83.3 205 215 A G S S+ 0 0 57 2,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.027 76.0 68.0 -92.2 28.1 64.1 22.0 84.6 206 216 A Y S S- 0 0 14 -138,-0.0 -139,-0.2 -139,-0.0 -163,-0.1 -0.989 91.9 -91.3-141.1 151.1 61.2 22.0 82.1 207 217 A P - 0 0 74 0, 0.0 -139,-2.5 0, 0.0 2,-0.4 -0.316 37.0-162.4 -60.2 137.9 61.0 21.4 78.3 208 218 A I E -c 68 0A 50 -141,-0.2 2,-0.4 -4,-0.1 -139,-0.2 -0.995 4.3-167.4-122.3 131.2 61.3 24.5 76.2 209 219 A T E -c 69 0A 58 -141,-2.4 -139,-3.0 -2,-0.4 2,-0.5 -0.969 10.8-150.6-121.1 132.5 60.1 24.5 72.5 210 220 A L E -c 70 0A 47 -2,-0.4 2,-0.6 -141,-0.2 -139,-0.2 -0.878 11.7-156.8 -97.4 126.0 60.8 27.2 69.9 211 221 A F - 0 0 98 -141,-2.7 2,-0.5 -2,-0.5 -2,-0.0 -0.926 8.4-165.8-107.2 121.4 58.1 27.4 67.2 212 222 A V - 0 0 71 -2,-0.6 2,-0.2 -141,-0.1 -139,-0.1 -0.919 17.3-131.1-114.8 120.2 59.3 29.0 64.0 213 223 A E - 0 0 126 -2,-0.5 -139,-0.0 -141,-0.4 -2,-0.0 -0.453 38.9 -98.6 -68.2 134.2 56.9 30.2 61.3 214 224 A K 0 0 157 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.277 360.0 360.0 -54.1 136.0 57.8 28.8 57.8 215 225 A E 0 0 174 -3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.008 360.0 360.0 78.2 360.0 59.7 31.5 55.9