==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 29-MAY-98 1BGQ . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN 90; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.M.ROE,C.PRODROMOU,L.H.PEARL . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 74.8 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 . 39 18.2 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 . 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 . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 26.6 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 0 1 0 0 2 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 1 1 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 1 A M 0 0 168 0, 0.0 159,-0.1 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 110.1 32.4 13.8 4.2 2 2 A A - 0 0 80 157,-0.1 158,-0.4 158,-0.0 0, 0.0 0.704 360.0-133.8 93.2 108.6 29.2 15.1 5.9 3 3 A S - 0 0 76 156,-0.1 2,-0.3 154,-0.0 156,-0.2 0.021 8.3-143.2 -75.3-173.6 26.1 12.9 6.4 4 4 A E - 0 0 90 154,-0.1 154,-1.8 2,-0.0 2,-0.3 -0.879 12.8-145.1-156.8 119.3 22.5 13.9 5.7 5 5 A T E -A 157 0A 92 -2,-0.3 2,-0.3 152,-0.2 152,-0.2 -0.654 16.6-178.9 -93.4 148.5 19.7 12.7 7.9 6 6 A F E -A 156 0A 40 150,-2.3 150,-2.5 -2,-0.3 2,-0.2 -0.993 26.2-119.3-142.8 144.8 16.2 11.8 6.7 7 7 A E E -A 155 0A 134 -2,-0.3 2,-0.3 148,-0.2 148,-0.3 -0.569 29.9-119.3 -84.5 150.4 13.1 10.6 8.6 8 8 A F - 0 0 10 146,-3.3 87,-0.2 -2,-0.2 86,-0.1 -0.689 35.7 -99.0 -86.7 141.3 11.5 7.3 7.7 9 9 A Q >> - 0 0 40 85,-2.9 4,-1.5 -2,-0.3 3,-1.3 -0.418 44.4-112.9 -57.2 133.6 8.0 7.3 6.4 10 10 A A H 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.783 112.0 51.0 -40.2 -47.7 6.0 6.4 9.6 11 11 A E H 3> S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.818 106.0 54.9 -66.1 -32.3 4.8 2.9 8.4 12 12 A I H <> S+ 0 0 0 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.885 106.2 53.3 -67.7 -37.3 8.2 1.8 7.5 13 13 A T H X S+ 0 0 41 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.900 109.8 48.1 -63.1 -39.8 9.3 2.6 11.0 14 14 A Q H X S+ 0 0 87 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.973 110.5 50.2 -63.6 -56.0 6.5 0.5 12.4 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.911 110.5 51.1 -47.9 -49.8 7.3 -2.4 10.1 16 16 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.920 109.4 48.3 -57.1 -48.2 11.0 -2.3 11.1 17 17 A S H X S+ 0 0 63 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.922 113.7 50.5 -58.5 -42.3 10.2 -2.3 14.9 18 18 A L H >X S+ 0 0 65 -4,-2.7 4,-1.9 2,-0.2 3,-0.9 0.961 113.4 42.8 -59.3 -54.8 7.9 -5.2 14.2 19 19 A I H 3< S+ 0 0 1 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.943 114.1 49.4 -59.3 -51.9 10.5 -7.2 12.2 20 20 A I H 3< S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.584 119.5 40.3 -66.3 -8.6 13.4 -6.5 14.6 21 21 A N H << S+ 0 0 115 -3,-0.9 2,-0.2 -4,-0.7 -1,-0.2 0.606 83.1 110.7-114.8 -16.8 11.2 -7.5 17.5 22 22 A T < - 0 0 35 -4,-1.9 -4,-0.0 -3,-0.4 -3,-0.0 -0.431 60.2-146.9 -64.2 125.1 9.3 -10.6 16.2 23 23 A V + 0 0 137 -2,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.596 43.5 164.9 -66.3 -8.8 10.4 -13.7 18.0 24 24 A Y - 0 0 27 1,-0.1 2,-0.7 2,-0.1 3,-0.3 0.449 37.2-134.2 -11.1 136.3 9.7 -15.4 14.7 25 25 A S S S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.863 88.6 48.9-110.2 97.9 11.1 -18.9 14.1 26 26 A N > + 0 0 57 -2,-0.7 3,-1.8 88,-0.0 -1,-0.2 0.366 56.6 160.2 142.7 38.6 12.6 -19.1 10.6 27 27 A K T > + 0 0 35 -3,-0.3 3,-1.6 1,-0.3 4,-0.2 0.705 60.1 83.5 -56.1 -20.7 14.8 -15.9 10.6 28 28 A E T >> + 0 0 7 1,-0.3 3,-1.1 2,-0.1 4,-0.6 0.571 65.5 86.3 -62.5 -8.9 16.8 -17.5 7.7 29 29 A I H <> + 0 0 1 -3,-1.8 4,-1.7 1,-0.2 3,-0.4 0.725 69.1 78.8 -66.4 -19.2 14.2 -16.2 5.2 30 30 A F H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.834 88.1 56.0 -57.6 -35.0 16.0 -12.9 5.0 31 31 A L H <> S+ 0 0 3 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.893 104.6 52.1 -66.7 -39.3 18.7 -14.3 2.7 32 32 A R H X S+ 0 0 104 -4,-0.6 4,-1.5 -3,-0.4 -1,-0.2 0.905 111.6 46.9 -62.4 -42.5 16.1 -15.5 0.2 33 33 A E H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.912 114.1 46.7 -66.5 -43.7 14.5 -12.0 0.1 34 34 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.895 111.7 49.7 -67.1 -40.8 17.9 -10.3 -0.3 35 35 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.849 110.0 54.1 -66.8 -30.6 19.1 -12.7 -3.0 36 36 A S H X S+ 0 0 50 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.894 107.5 47.4 -68.9 -42.0 15.8 -12.0 -4.8 37 37 A N H X S+ 0 0 63 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.881 111.2 53.7 -63.7 -40.2 16.3 -8.2 -4.7 38 38 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.899 108.8 48.6 -60.1 -44.5 19.8 -8.8 -6.1 39 39 A S H X S+ 0 0 18 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.899 111.7 47.9 -64.2 -45.2 18.4 -10.9 -8.9 40 40 A D H X S+ 0 0 66 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.868 109.9 53.4 -64.2 -37.8 15.8 -8.3 -9.9 41 41 A A H X S+ 0 0 20 -4,-2.3 41,-2.3 1,-0.2 4,-1.3 0.812 109.8 48.4 -66.8 -30.3 18.4 -5.6 -9.8 42 42 A L H X S+ 0 0 0 -4,-1.3 4,-1.8 39,-0.3 -2,-0.2 0.813 108.9 52.9 -78.6 -31.5 20.5 -7.6 -12.1 43 43 A D H X S+ 0 0 54 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.912 105.0 57.5 -66.8 -42.8 17.5 -8.2 -14.5 44 44 A K H X S+ 0 0 126 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 110.4 40.3 -53.7 -49.6 17.0 -4.5 -14.5 45 45 A I H X S+ 0 0 2 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.838 114.0 53.9 -72.5 -32.8 20.5 -3.7 -15.8 46 46 A R H X S+ 0 0 122 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.965 113.2 43.0 -64.3 -50.8 20.5 -6.6 -18.2 47 47 A Y H >X S+ 0 0 180 -4,-3.1 3,-1.7 1,-0.2 4,-0.5 0.933 114.4 49.1 -59.8 -50.0 17.2 -5.4 -19.7 48 48 A K H >X S+ 0 0 80 -4,-2.5 4,-0.9 1,-0.3 3,-0.9 0.859 105.5 59.7 -58.8 -35.4 18.3 -1.8 -19.8 49 49 A S H 3< S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.651 85.4 81.0 -68.0 -15.1 21.5 -2.9 -21.5 50 50 A L H << S+ 0 0 128 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.900 111.5 19.0 -57.1 -43.8 19.4 -4.4 -24.3 51 51 A S H << S+ 0 0 120 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.466 135.4 43.6-105.5 -5.2 19.1 -1.0 -25.9 52 52 A D >< + 0 0 66 -4,-0.9 3,-2.0 -5,-0.2 4,-0.2 -0.535 61.8 170.4-140.4 68.4 22.0 0.6 -24.1 53 53 A P G > S+ 0 0 90 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.766 71.1 71.6 -49.3 -35.7 25.0 -1.9 -24.1 54 54 A K G > S+ 0 0 146 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.727 82.4 76.6 -56.8 -21.3 27.5 0.7 -22.8 55 55 A Q G < S+ 0 0 30 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.731 90.4 52.0 -63.6 -25.5 25.7 0.4 -19.5 56 56 A L G X S+ 0 0 46 -3,-2.0 3,-1.7 -4,-0.2 -1,-0.3 0.599 86.8 86.5 -86.6 -11.9 27.3 -3.0 -18.7 57 57 A E T < S+ 0 0 132 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.771 77.3 64.5 -59.1 -28.9 30.8 -1.6 -19.3 58 58 A T T 3 S+ 0 0 66 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.702 130.3 0.4 -68.5 -18.0 31.1 -0.3 -15.7 59 59 A E < - 0 0 33 -3,-1.7 -1,-0.3 109,-0.1 -2,-0.1 -0.447 66.6-174.2-172.2 85.3 30.9 -3.9 -14.6 60 60 A P + 0 0 93 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.656 64.6 86.1 -61.5 -19.0 30.6 -6.6 -17.3 61 61 A D - 0 0 111 -5,-0.1 2,-0.6 2,-0.0 19,-0.0 -0.784 64.9-156.3 -95.1 121.4 30.2 -9.5 -14.8 62 62 A L + 0 0 39 -2,-0.6 2,-0.3 17,-0.1 19,-0.1 -0.839 37.5 130.8 -94.5 119.7 26.7 -10.2 -13.6 63 63 A F - 0 0 8 -2,-0.6 17,-1.4 140,-0.1 2,-0.4 -0.971 51.1-129.9-159.8 170.5 26.8 -11.9 -10.2 64 64 A I E -Bc 79 205A 0 140,-2.0 142,-3.1 -2,-0.3 2,-0.4 -0.997 29.9-167.3-128.3 130.0 25.5 -12.1 -6.6 65 65 A R E -Bc 78 206A 67 13,-3.1 13,-3.2 -2,-0.4 2,-0.6 -0.975 13.3-161.4-131.1 127.5 28.2 -12.4 -3.9 66 66 A I E -Bc 77 207A 0 140,-3.2 142,-2.9 -2,-0.4 11,-0.2 -0.911 13.5-179.5-107.0 122.5 27.9 -13.3 -0.3 67 67 A T E -B 76 0A 29 9,-2.7 9,-2.1 -2,-0.6 2,-0.3 -0.914 11.1-158.7-127.7 103.7 30.9 -12.3 1.9 68 68 A P E -B 75 0A 17 0, 0.0 7,-0.2 0, 0.0 142,-0.2 -0.631 1.8-165.4 -81.4 137.3 30.9 -13.0 5.6 69 69 A K E > > -B 74 0A 58 5,-3.3 5,-1.7 -2,-0.3 3,-1.0 -0.742 6.0-177.4-125.7 82.2 33.3 -10.9 7.8 70 70 A P G > 5S+ 0 0 83 0, 0.0 3,-3.0 0, 0.0 -1,-0.2 0.887 77.5 59.1 -42.7 -61.3 33.6 -12.7 11.2 71 71 A E G 3 5S+ 0 0 182 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.832 118.3 32.7 -42.5 -41.1 35.9 -10.1 12.9 72 72 A Q G < 5S- 0 0 102 -3,-1.0 -1,-0.3 2,-0.1 3,-0.1 0.311 105.4-126.1-100.7 8.2 33.2 -7.4 12.3 73 73 A K T < 5 + 0 0 86 -3,-3.0 104,-1.1 -4,-0.4 2,-0.3 0.927 64.9 140.5 44.8 52.9 30.3 -9.8 12.7 74 74 A V E < -BD 69 176A 3 -5,-1.7 -5,-3.3 102,-0.2 2,-0.4 -0.923 41.4-160.4-125.5 149.2 29.1 -8.5 9.3 75 75 A L E -BD 68 175A 2 100,-2.4 100,-3.1 -2,-0.3 2,-0.4 -0.996 11.7-158.8-131.1 125.7 27.5 -10.3 6.3 76 76 A E E -BD 67 174A 5 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.5 -0.891 10.1-170.2-111.9 137.4 27.6 -8.8 2.9 77 77 A I E -BD 66 173A 6 96,-1.6 96,-2.1 -2,-0.4 2,-0.3 -0.980 18.7-178.4-122.3 113.7 25.3 -9.5 -0.0 78 78 A R E +BD 65 172A 23 -13,-3.2 -13,-3.1 -2,-0.5 2,-0.3 -0.832 12.5 178.3-116.6 153.8 26.5 -7.9 -3.3 79 79 A D E -BD 64 171A 12 92,-1.6 92,-1.5 -2,-0.3 -15,-0.2 -0.970 31.4-136.4-145.3 150.9 25.1 -7.8 -6.8 80 80 A S + 0 0 0 -17,-1.4 90,-0.2 -2,-0.3 -16,-0.1 -0.198 63.9 133.7-102.0 41.4 26.4 -6.0 -9.9 81 81 A G S S- 0 0 0 90,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.216 76.9 -63.6 -73.7-161.0 22.9 -5.0 -10.7 82 82 A I S S- 0 0 42 -41,-2.3 59,-0.5 87,-0.1 88,-0.2 0.714 70.7-154.8 -62.9 -24.5 21.5 -1.6 -11.8 83 83 A G - 0 0 4 57,-0.2 2,-0.3 86,-0.1 57,-0.2 0.070 11.8 -94.1 70.1 172.6 22.4 0.1 -8.5 84 84 A M - 0 0 33 86,-0.4 56,-0.5 62,-0.1 62,-0.2 -0.967 22.0-134.3-131.4 146.7 20.8 3.2 -7.0 85 85 A T > - 0 0 19 -2,-0.3 4,-2.2 54,-0.1 5,-0.2 -0.319 40.2 -96.8 -87.0 174.1 21.5 6.9 -7.0 86 86 A K H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.938 127.9 48.7 -57.0 -44.8 21.5 9.2 -4.0 87 87 A A H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 110.8 50.0 -61.9 -42.0 17.9 10.2 -4.8 88 88 A E H > S+ 0 0 76 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.828 106.8 53.8 -67.7 -35.2 16.8 6.5 -5.3 89 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.937 112.8 44.7 -64.5 -44.6 18.3 5.3 -2.0 90 90 A I H X>S+ 0 0 24 -4,-1.8 5,-2.5 -5,-0.2 4,-0.8 0.888 121.7 39.2 -63.9 -43.0 16.4 8.1 -0.2 91 91 A N H <>S+ 0 0 72 -4,-2.2 5,-1.4 3,-0.2 3,-0.3 0.979 122.0 38.1 -71.0 -61.3 13.2 7.3 -2.1 92 92 A N H <5S+ 0 0 84 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.821 120.9 41.8 -62.7 -39.8 13.3 3.5 -2.3 93 93 A L H <5S- 0 0 14 -4,-2.0 -1,-0.2 -5,-0.5 -3,-0.2 0.601 131.6 -19.8 -92.3 -10.0 14.7 2.8 1.2 94 94 A G T <5S+ 0 0 0 -4,-0.8 -85,-2.9 -3,-0.3 -82,-0.2 0.558 113.3 60.4-161.5 -40.8 12.8 5.2 3.4 95 95 A T T - 0 0 40 2,-0.1 3,-2.1 3,-0.1 4,-0.5 0.788 13.5-120.4 88.2 102.9 5.5 1.7 -0.1 99 99 A S T 3> S+ 0 0 130 1,-0.3 4,-0.6 2,-0.1 3,-0.5 0.806 106.3 38.7 -34.6 -60.8 2.2 0.1 -1.1 100 100 A G H 3> S+ 0 0 8 20,-0.6 4,-3.0 1,-0.2 5,-0.3 0.446 86.7 97.2 -80.4 0.6 2.4 -3.1 0.9 101 101 A T H <> S+ 0 0 1 -3,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.927 97.3 29.2 -53.8 -50.9 4.0 -1.7 4.1 102 102 A K H > S+ 0 0 86 -3,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.868 119.2 56.1 -78.2 -38.2 0.7 -1.3 5.9 103 103 A A H X S+ 0 0 37 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.878 108.3 48.3 -61.4 -40.4 -1.0 -4.2 4.1 104 104 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 2,-0.2 -1,-0.2 0.901 110.6 50.4 -67.7 -41.6 1.7 -6.7 5.2 105 105 A M H X S+ 0 0 14 -4,-1.2 4,-2.5 -5,-0.3 -2,-0.2 0.885 112.0 48.0 -63.6 -38.1 1.6 -5.5 8.8 106 106 A E H X S+ 0 0 105 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.919 113.0 48.5 -67.8 -42.2 -2.2 -6.0 8.8 107 107 A A H X>S+ 0 0 23 -4,-2.4 5,-2.4 2,-0.2 4,-0.6 0.908 110.0 51.6 -63.6 -43.4 -1.7 -9.4 7.2 108 108 A L H ><5S+ 0 0 28 -4,-3.3 3,-2.2 1,-0.2 -2,-0.2 0.966 108.3 51.8 -57.5 -51.8 0.9 -10.3 9.8 109 109 A S H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.9 56.8 -54.9 -32.3 -1.4 -9.2 12.6 110 110 A A H 3<5S- 0 0 92 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.619 133.4 -88.6 -75.6 -12.5 -4.1 -11.5 11.0 111 111 A G T <<5S+ 0 0 65 -3,-2.2 -3,-0.2 -4,-0.6 -2,-0.2 0.381 73.5 154.4 121.4 -1.5 -1.7 -14.5 11.4 112 112 A A < - 0 0 31 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.096 49.9-103.2 -55.8 155.1 0.2 -14.4 8.1 113 113 A D > - 0 0 77 1,-0.1 3,-3.2 -89,-0.0 4,-0.3 -0.704 20.8-128.0 -86.4 131.7 3.7 -15.9 8.0 114 114 A V G > S+ 0 0 7 -2,-0.4 3,-2.3 1,-0.3 4,-0.2 0.784 105.4 72.8 -45.8 -31.9 6.6 -13.4 8.0 115 115 A S G > S+ 0 0 37 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.607 81.5 70.8 -62.7 -10.9 7.9 -15.1 4.9 116 116 A M G X> + 0 0 66 -3,-3.2 3,-2.6 1,-0.2 4,-0.7 0.625 68.9 99.2 -79.3 -13.4 5.1 -13.6 2.9 117 117 A I G X4>S+ 0 0 0 -3,-2.3 5,-1.5 1,-0.3 3,-1.5 0.827 75.8 57.3 -40.6 -44.6 6.9 -10.2 3.3 118 118 A G G X45S+ 0 0 29 -3,-0.6 3,-0.9 1,-0.3 -1,-0.3 0.768 98.2 59.6 -63.6 -25.8 8.4 -10.5 -0.1 119 119 A Q G <45S+ 0 0 156 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.658 102.6 54.1 -77.3 -13.5 5.0 -10.9 -1.7 120 120 A F G <<5S- 0 0 49 -3,-1.5 -20,-0.6 -4,-0.7 -1,-0.2 0.383 118.3-114.1 -97.0 1.4 4.1 -7.4 -0.3 121 121 A G T < 5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.2 3,-0.1 0.652 93.5 96.9 77.4 17.7 7.2 -6.0 -1.9 122 122 A V > < + 0 0 3 -5,-1.5 3,-1.2 -22,-0.1 4,-0.2 -0.029 32.8 128.0-128.0 33.3 9.0 -5.1 1.3 123 123 A G G > + 0 0 4 1,-0.3 3,-2.6 -6,-0.2 4,-0.3 0.785 60.4 75.8 -59.0 -30.0 11.3 -8.1 1.7 124 124 A F G > S+ 0 0 16 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.880 89.2 58.8 -49.1 -42.1 14.4 -5.8 2.1 125 125 A Y G X S+ 0 0 6 -3,-1.2 3,-1.5 1,-0.3 -1,-0.3 0.600 83.7 80.9 -66.9 -10.9 13.2 -5.0 5.6 126 126 A S G X S+ 0 0 0 -3,-2.6 3,-1.9 1,-0.3 4,-0.3 0.653 71.4 81.5 -69.0 -14.5 13.3 -8.7 6.5 127 127 A L G X> S+ 0 0 0 -3,-1.7 4,-1.4 -4,-0.3 3,-1.4 0.755 76.5 71.4 -61.7 -23.4 17.1 -8.2 7.0 128 128 A F G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.471 78.7 77.9 -74.0 0.3 16.2 -6.8 10.5 129 129 A L G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 -102,-0.1 -2,-0.2 0.819 114.5 15.6 -74.8 -33.2 15.4 -10.4 11.5 130 130 A V T <4 S+ 0 0 0 -3,-1.4 48,-2.6 -4,-0.3 2,-0.4 0.476 125.7 54.5-119.6 -7.6 19.1 -11.1 11.8 131 131 A A E < -E 177 0A 0 -4,-1.4 46,-0.2 46,-0.3 -1,-0.1 -0.980 49.3-165.2-131.5 143.7 20.7 -7.7 11.9 132 132 A D E S+ 0 0 73 44,-1.4 2,-0.3 -2,-0.4 45,-0.1 0.422 84.3 34.7-103.5 -0.5 20.2 -4.6 14.1 133 133 A R E -E 176 0A 93 43,-0.8 43,-2.5 19,-0.1 2,-0.3 -0.988 67.0-174.3-151.1 143.9 22.1 -2.3 11.8 134 134 A V E -EF 175 150A 0 16,-2.8 16,-2.1 -2,-0.3 2,-0.4 -0.999 13.5-161.4-145.5 147.5 22.6 -2.1 8.0 135 135 A Q E -EF 174 149A 22 39,-2.0 39,-3.3 -2,-0.3 2,-0.7 -0.996 8.1-160.3-127.0 126.2 24.5 -0.2 5.4 136 136 A V E -EF 173 148A 1 12,-3.4 12,-2.4 -2,-0.4 2,-0.6 -0.918 10.6-170.0-109.2 105.5 23.4 -0.2 1.8 137 137 A I E +EF 172 147A 0 35,-2.5 35,-3.2 -2,-0.7 2,-0.3 -0.871 15.2 176.0 -98.5 120.8 26.4 0.8 -0.4 138 138 A S E -EF 171 146A 0 8,-2.2 8,-2.0 -2,-0.6 2,-0.3 -0.934 25.0-173.3-132.6 152.9 25.4 1.5 -3.9 139 139 A K E -E 170 0A 43 31,-2.8 31,-2.8 -2,-0.3 2,-0.3 -0.894 9.8-177.9-145.3 108.5 26.8 2.7 -7.2 140 140 A S > - 0 0 3 4,-0.5 3,-2.1 -56,-0.5 -57,-0.2 -0.761 40.3-116.8-102.2 150.9 24.6 3.4 -10.2 141 141 A N T 3 S+ 0 0 41 -59,-0.5 -1,-0.1 -2,-0.3 -58,-0.1 0.812 114.9 60.8 -56.5 -26.0 26.0 4.5 -13.6 142 142 A D T 3 S+ 0 0 116 2,-0.1 -1,-0.3 -59,-0.0 2,-0.3 0.360 113.0 14.2 -86.2 5.8 24.0 7.7 -13.0 143 143 A D S < S- 0 0 46 -3,-2.1 2,-0.1 -58,-0.1 -58,-0.0 -0.889 82.4 -79.3-158.7-172.6 25.7 8.8 -9.8 144 144 A E - 0 0 119 -2,-0.3 -4,-0.5 1,-0.1 2,-0.4 -0.277 60.5 -78.9 -88.4 179.3 28.6 8.5 -7.3 145 145 A Q - 0 0 6 16,-0.2 16,-3.3 -6,-0.2 2,-0.3 -0.712 55.8-178.9 -85.5 132.5 28.9 5.8 -4.6 146 146 A Y E -FG 138 160A 34 -8,-2.0 -8,-2.2 -2,-0.4 2,-0.5 -0.949 23.6-137.9-133.1 153.0 26.8 6.5 -1.6 147 147 A I E -FG 137 159A 14 12,-3.1 12,-2.2 -2,-0.3 2,-0.5 -0.947 12.5-167.0-113.9 123.1 26.2 4.8 1.8 148 148 A W E -FG 136 158A 0 -12,-2.4 -12,-3.4 -2,-0.5 2,-0.4 -0.930 17.3-172.1-105.8 126.9 22.6 4.6 3.1 149 149 A E E +FG 135 157A 51 8,-2.8 8,-2.2 -2,-0.5 2,-0.3 -0.966 13.4 159.9-130.2 145.1 22.6 3.6 6.8 150 150 A S E -F 134 0A 4 -16,-2.1 -16,-2.8 -2,-0.4 6,-0.1 -0.989 28.0-167.3-155.6 155.4 19.9 2.6 9.3 151 151 A N S S- 0 0 97 4,-0.5 3,-0.1 -2,-0.3 5,-0.1 -0.078 71.1 -86.7-134.6 29.9 19.4 0.8 12.6 152 152 A A S S+ 0 0 16 1,-0.2 -135,-0.1 -18,-0.1 4,-0.1 0.464 89.5 137.6 75.0 4.1 15.6 0.6 12.5 153 153 A G S S- 0 0 28 2,-0.3 -1,-0.2 1,-0.1 -137,-0.1 -0.100 75.7 -96.1 -69.1 176.8 15.4 4.0 14.1 154 154 A G S S+ 0 0 34 -3,-0.1 -146,-3.3 -147,-0.1 2,-0.3 0.519 106.4 45.7 -74.9 -1.6 12.9 6.6 12.9 155 155 A S E -A 7 0A 40 -148,-0.3 -4,-0.5 -142,-0.1 -2,-0.3 -0.965 62.2-164.1-142.1 157.7 15.6 8.1 10.7 156 156 A F E -A 6 0A 1 -150,-2.5 -150,-2.3 -2,-0.3 2,-0.3 -0.826 13.8-134.6-131.8 169.8 18.4 7.1 8.3 157 157 A T E -AG 5 149A 36 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.4 -0.930 5.2-159.4-130.5 155.6 21.5 8.7 6.8 158 158 A V E + G 0 148A 2 -154,-1.8 2,-0.4 -2,-0.3 -10,-0.2 -0.999 16.5 176.3-133.4 127.2 23.0 9.0 3.3 159 159 A T E - G 0 147A 27 -12,-2.2 -12,-3.1 -2,-0.4 -156,-0.1 -0.990 38.1-107.6-133.3 140.2 26.7 9.9 2.9 160 160 A L E - G 0 146A 59 -158,-0.4 2,-0.7 -2,-0.4 -14,-0.3 -0.472 49.1-110.1 -63.4 137.0 28.8 10.2 -0.2 161 161 A D + 0 0 4 -16,-3.3 -16,-0.2 -23,-0.2 -1,-0.1 -0.637 60.0 143.0 -81.8 114.4 31.1 7.1 -0.0 162 162 A E S S+ 0 0 127 -2,-0.7 -1,-0.1 3,-0.0 -2,-0.1 0.037 71.3 53.7-130.8 20.7 34.8 7.9 0.6 163 163 A V S S+ 0 0 120 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.578 89.5 71.4-132.1 -17.4 35.5 4.8 2.8 164 164 A N S S- 0 0 22 1,-0.1 3,-0.1 3,-0.0 -17,-0.0 -0.596 88.1 -84.1-103.8 166.4 34.5 1.6 1.1 165 165 A E - 0 0 103 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.284 54.5-101.7 -61.6 151.5 35.9 -0.3 -1.8 166 166 A R - 0 0 140 -3,-0.1 2,-0.5 -21,-0.0 -1,-0.1 -0.619 31.4-156.0 -77.8 132.2 34.8 0.9 -5.2 167 167 A I - 0 0 4 -2,-0.3 3,-0.2 1,-0.2 -108,-0.0 -0.946 13.9-139.8-108.6 129.1 32.1 -1.2 -6.7 168 168 A G S S- 0 0 31 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.916 80.1 -27.3 -51.7 -46.7 31.9 -0.9 -10.5 169 169 A R S S+ 0 0 0 -90,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.920 105.2 49.4-166.7 144.2 28.2 -0.9 -10.5 170 170 A G E S- E 0 139A 0 -31,-2.8 -31,-2.8 -2,-0.3 -86,-0.4 -0.852 72.1 -65.8 127.1-160.4 25.6 -2.4 -8.1 171 171 A T E -DE 79 138A 8 -92,-1.5 -92,-1.6 -2,-0.3 2,-0.4 -0.984 22.1-156.1-140.3 149.2 24.8 -2.6 -4.4 172 172 A I E -DE 78 137A 1 -35,-3.2 -35,-2.5 -2,-0.3 2,-0.7 -0.990 8.3-155.8-124.0 132.0 26.3 -4.0 -1.3 173 173 A L E -DE 77 136A 21 -96,-2.1 -96,-1.6 -2,-0.4 2,-0.9 -0.927 10.6-163.8-108.2 105.1 24.1 -4.9 1.7 174 174 A R E -DE 76 135A 33 -39,-3.3 -39,-2.0 -2,-0.7 2,-0.6 -0.811 7.4-164.9 -94.1 103.0 26.3 -4.8 4.7 175 175 A L E -DE 75 134A 0 -100,-3.1 -100,-2.4 -2,-0.9 2,-1.2 -0.794 12.7-153.0 -93.5 120.8 24.4 -6.5 7.5 176 176 A F E -DE 74 133A 39 -43,-2.5 -44,-1.4 -2,-0.6 -43,-0.8 -0.786 29.8-138.5 -93.6 93.8 25.7 -6.1 11.0 177 177 A L E - E 0 131A 8 -2,-1.2 -46,-0.3 -104,-1.1 5,-0.1 -0.096 11.1-110.0 -56.7 147.1 24.5 -9.3 12.6 178 178 A K > - 0 0 33 -48,-2.6 3,-1.9 1,-0.1 -1,-0.1 -0.382 36.0-105.5 -71.8 156.8 22.9 -9.5 16.0 179 179 A D T 3 S+ 0 0 120 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.721 120.6 46.2 -58.5 -23.8 25.0 -11.3 18.6 180 180 A D T 3 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.324 105.5 60.1-101.8 7.0 22.8 -14.4 18.5 181 181 A Q X + 0 0 14 -3,-1.9 3,-1.3 -51,-0.2 -1,-0.2 0.041 61.4 118.2-121.7 27.1 22.6 -14.7 14.7 182 182 A L G > + 0 0 53 -3,-0.4 3,-1.3 1,-0.3 4,-0.2 0.442 52.5 89.0 -73.4 1.4 26.3 -15.1 13.9 183 183 A E G > S+ 0 0 66 1,-0.3 3,-1.5 2,-0.2 7,-0.3 0.758 74.2 68.4 -69.9 -24.5 25.6 -18.5 12.4 184 184 A Y G < S+ 0 0 7 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.455 87.4 67.1 -74.5 0.3 25.1 -16.8 9.1 185 185 A L G < S+ 0 0 21 -3,-1.3 2,-0.4 -117,-0.1 -1,-0.3 0.638 84.5 93.3 -90.6 -17.4 28.8 -16.0 9.0 186 186 A E S <> S- 0 0 114 -3,-1.5 4,-2.6 -4,-0.2 5,-0.2 -0.634 74.9-138.2 -84.3 131.7 29.5 -19.8 8.7 187 187 A E H > S+ 0 0 76 -2,-0.4 4,-2.7 1,-0.2 5,-0.1 0.792 99.9 50.6 -55.2 -39.6 29.9 -21.3 5.2 188 188 A K H > S+ 0 0 75 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.983 112.6 44.7 -64.7 -59.0 27.9 -24.4 5.9 189 189 A R H > S+ 0 0 38 -6,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 117.2 46.5 -49.3 -54.1 24.8 -22.6 7.3 190 190 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 -7,-0.3 5,-0.2 0.944 111.6 52.0 -54.5 -52.8 25.0 -20.0 4.5 191 191 A K H X S+ 0 0 117 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.866 112.4 44.6 -52.1 -45.0 25.4 -22.8 1.8 192 192 A E H X S+ 0 0 87 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.884 111.0 51.9 -72.3 -38.8 22.4 -24.7 3.0 193 193 A V H X S+ 0 0 3 -4,-2.5 4,-1.6 -5,-0.2 5,-0.2 0.917 111.1 48.7 -63.4 -41.9 20.1 -21.8 3.4 194 194 A I H X S+ 0 0 24 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.844 108.3 56.7 -65.7 -33.8 20.9 -20.7 -0.1 195 195 A K H < S+ 0 0 169 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.904 108.7 42.7 -66.2 -43.9 20.3 -24.2 -1.4 196 196 A R H < S+ 0 0 125 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.905 123.8 28.4 -74.6 -42.9 16.7 -24.6 -0.1 197 197 A H H < S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.461 118.3 52.4-102.0 1.4 15.0 -21.3 -0.9 198 198 A S < + 0 0 20 -4,-1.1 3,-0.3 -5,-0.2 -1,-0.2 -0.524 58.5 130.7-135.3 69.7 17.0 -20.1 -4.0 199 199 A E + 0 0 145 -3,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.787 70.0 51.6 -90.7 -30.4 17.0 -22.9 -6.6 200 200 A F + 0 0 178 -3,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.572 69.2 140.6-110.5 70.1 16.0 -20.9 -9.7 201 201 A V - 0 0 41 -2,-0.6 4,-0.1 -3,-0.3 -165,-0.0 -0.946 42.0-150.9-111.7 127.5 18.4 -17.9 -9.8 202 202 A A S S+ 0 0 80 -2,-0.5 -1,-0.1 2,-0.1 -2,-0.0 0.655 75.6 63.2 -70.9 -19.5 19.6 -16.9 -13.2 203 203 A Y S S- 0 0 18 1,-0.1 -140,-0.1 -140,-0.0 -2,-0.1 -0.779 93.6 -95.8-111.1 153.8 22.9 -15.5 -12.0 204 204 A P - 0 0 74 0, 0.0 -140,-2.0 0, 0.0 2,-0.6 -0.383 30.7-146.5 -65.8 141.3 25.9 -17.2 -10.3 205 205 A I E -c 64 0A 51 -142,-0.2 2,-0.4 -4,-0.1 -140,-0.2 -0.934 16.3-162.2-112.7 108.3 25.9 -16.9 -6.5 206 206 A Q E -c 65 0A 66 -142,-3.1 -140,-3.2 -2,-0.6 2,-0.5 -0.781 7.4-156.4 -97.5 133.7 29.4 -16.7 -5.2 207 207 A L E -c 66 0A 45 -2,-0.4 2,-0.8 -142,-0.2 -140,-0.2 -0.922 11.0-147.2-106.7 122.3 30.3 -17.4 -1.6 208 208 A V - 0 0 56 -142,-2.9 2,-0.4 -2,-0.5 -2,-0.0 -0.821 21.7-177.9 -94.1 114.0 33.6 -15.7 -0.4 209 209 A V - 0 0 63 -2,-0.8 2,-0.7 -142,-0.1 -23,-0.0 -0.947 20.0-146.3-119.2 131.0 35.3 -17.9 2.2 210 210 A T - 0 0 133 -2,-0.4 2,-0.5 -142,-0.2 -2,-0.0 -0.826 21.5-176.5 -95.7 111.6 38.5 -17.1 4.0 211 211 A K - 0 0 149 -2,-0.7 2,-0.5 3,-0.0 -2,-0.0 -0.932 25.2-130.4-115.8 127.1 40.6 -20.2 4.7 212 212 A E - 0 0 178 -2,-0.5 -2,-0.0 1,-0.1 2,-0.0 -0.591 40.6-104.7 -72.0 120.1 43.8 -20.3 6.7 213 213 A V 0 0 122 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 -0.258 360.0 360.0 -52.9 122.1 46.4 -22.2 4.6 214 214 A E 0 0 217 -3,-0.0 -1,-0.2 -2,-0.0 -3,-0.0 -0.085 360.0 360.0 -38.0 360.0 46.8 -25.6 6.2