==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/VIRAL PROTEIN RECEPTOR 11-JAN-01 1GHQ . COMPND 2 MOLECULE: COMPLEMENT C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SZAKONYI,J.M.GUTHRIDGE,D.LI,V.M.HOLERS,X.S.CHEN . 570 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 1 0 0 0 0 2 0 0 1 1 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 5 7 5 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 ANTIPARALLEL BRIDGES PER LADDER . 13 2 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 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 36 0, 0.0 2,-0.4 0, 0.0 268,-0.2 0.000 360.0 360.0 360.0 -12.8 114.7 73.3 52.0 2 2 A L + 0 0 3 302,-0.4 304,-2.8 4,-0.0 2,-0.3 -0.905 360.0 156.4-117.5 142.0 113.0 69.9 51.3 3 3 A D B > -a 306 0A 35 -2,-0.4 4,-2.4 302,-0.3 5,-0.2 -0.887 54.5 -87.6-143.7 175.5 113.4 66.4 52.8 4 4 A A H > S+ 0 0 29 302,-0.6 4,-3.0 -2,-0.3 5,-0.2 0.869 121.4 49.5 -57.2 -44.1 111.3 63.2 53.2 5 5 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 112.2 49.8 -65.1 -39.6 109.7 64.1 56.5 6 6 A R H 4 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.935 115.8 41.9 -63.9 -44.6 108.7 67.5 55.3 7 7 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 4,-0.2 0.905 106.6 62.8 -70.1 -39.4 107.2 66.1 52.1 8 8 A K H >< S+ 0 0 99 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.849 92.2 64.3 -54.2 -39.3 105.5 63.1 53.9 9 9 A H T 3< S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 92.4 66.2 -57.8 -17.2 103.3 65.5 56.0 10 10 A L T < S+ 0 0 12 -3,-2.2 2,-1.0 -4,-0.3 -1,-0.3 0.528 77.4 92.9 -83.4 -5.2 101.7 66.5 52.7 11 11 A I < + 0 0 39 -3,-2.2 2,-0.3 -4,-0.2 14,-0.1 -0.789 61.7 160.0 -89.5 106.2 100.2 63.1 52.2 12 12 A V - 0 0 54 -2,-1.0 16,-0.1 12,-0.3 -2,-0.0 -0.874 45.7-106.2-127.9 162.9 96.8 63.4 53.8 13 13 A T - 0 0 83 -2,-0.3 2,-0.1 45,-0.0 12,-0.1 -0.741 39.4-131.5 -87.8 123.8 93.3 61.7 53.8 14 14 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.455 39.1 146.5 -76.8 145.9 90.8 63.8 51.9 15 15 A S + 0 0 79 5,-0.3 9,-0.3 -2,-0.1 8,-0.2 -0.965 21.1 62.8-160.3 177.3 87.3 64.6 53.3 16 16 A G S S- 0 0 41 -2,-0.3 0, 0.0 4,-0.1 0, 0.0 -0.423 79.2 -40.1 97.7-174.3 84.6 67.2 53.5 17 17 A A S > S- 0 0 9 -2,-0.1 4,-2.8 1,-0.0 5,-0.3 0.065 83.0 -61.3 -78.0-171.8 82.3 68.7 51.0 18 18 A G T 4 S+ 0 0 0 57,-2.6 57,-0.2 1,-0.2 4,-0.2 0.659 135.5 29.6 -50.9 -28.1 83.0 69.9 47.4 19 19 A E T >> S+ 0 0 1 56,-0.2 4,-1.6 2,-0.1 3,-0.7 0.835 119.0 52.7 -96.5 -47.2 85.6 72.5 48.3 20 20 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 -5,-0.3 0.863 105.6 56.9 -55.4 -42.5 87.1 70.9 51.5 21 21 A N H 3X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.831 107.9 46.6 -61.8 -33.8 87.7 67.6 49.7 22 22 A M H <> S+ 0 0 0 -3,-0.7 4,-2.1 -5,-0.3 -1,-0.2 0.777 106.9 57.0 -79.4 -28.4 89.8 69.4 47.0 23 23 A I H < S+ 0 0 44 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.922 114.0 41.6 -65.5 -42.0 91.8 71.2 49.7 24 24 A G H X S+ 0 0 16 -4,-2.2 4,-0.8 -9,-0.3 -12,-0.3 0.928 113.2 51.8 -71.1 -42.6 92.6 67.8 51.1 25 25 A M H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.857 95.6 73.7 -65.3 -33.0 93.2 66.2 47.8 26 26 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.909 94.0 45.6 -50.4 -56.0 95.7 68.9 46.6 27 27 A P H > S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.916 114.8 47.8 -59.5 -38.6 98.8 68.0 48.7 28 28 A T H X S+ 0 0 1 -4,-0.8 4,-2.4 2,-0.2 5,-0.3 0.931 112.7 48.6 -68.3 -43.2 98.6 64.3 48.0 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.959 116.0 41.8 -62.7 -48.1 98.2 64.8 44.3 30 30 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.886 111.5 55.8 -70.4 -32.8 101.0 67.2 44.0 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.943 113.1 41.2 -60.0 -47.1 103.3 65.2 46.3 32 32 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.950 115.2 51.2 -67.1 -44.3 102.9 62.1 44.2 33 33 A H H X S+ 0 0 25 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.914 112.1 48.5 -56.5 -41.0 103.1 64.1 40.9 34 34 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.924 112.5 45.7 -66.3 -46.0 106.3 65.6 42.3 35 35 A L H X>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 4,-1.1 0.934 116.3 45.9 -65.2 -44.4 107.9 62.3 43.3 36 36 A D H <5S+ 0 0 47 -4,-2.9 3,-0.5 -5,-0.2 -2,-0.2 0.958 115.9 45.9 -60.7 -50.2 107.0 60.6 40.0 37 37 A E H <5S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.874 119.8 38.4 -65.0 -36.0 108.2 63.5 37.9 38 38 A T H <5S- 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.544 103.6-130.6 -92.8 -5.1 111.4 64.0 39.8 39 39 A E T <5 + 0 0 173 -4,-1.1 -3,-0.2 -3,-0.5 3,-0.2 0.944 62.1 136.2 56.9 52.6 112.0 60.3 40.2 40 40 A Q >>< + 0 0 6 -5,-1.8 4,-1.4 -6,-0.2 3,-0.7 0.206 22.0 112.9-114.8 17.4 112.7 60.6 43.9 41 41 A W H 3> S+ 0 0 21 -6,-0.4 4,-4.3 1,-0.2 5,-0.2 0.850 72.5 63.9 -59.1 -33.1 110.7 57.7 45.3 42 42 A E H 34 S+ 0 0 180 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.911 107.5 42.4 -58.5 -40.0 113.9 55.9 46.3 43 43 A K H <4 S+ 0 0 88 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.803 122.4 39.7 -76.8 -24.2 114.6 58.8 48.7 44 44 A F H < S- 0 0 6 -4,-1.4 -2,-0.2 -9,-0.1 -3,-0.2 0.858 121.8 -92.4 -93.6 -35.3 111.1 58.9 49.9 45 45 A G >< - 0 0 17 -4,-4.3 3,-2.3 -5,-0.2 4,-0.4 0.466 24.3-144.0 118.4 93.1 110.1 55.2 50.1 46 46 A L G > S+ 0 0 116 1,-0.3 3,-1.7 -5,-0.2 4,-0.4 0.776 95.4 70.2 -55.7 -27.3 108.5 53.7 47.1 47 47 A E G 3 S+ 0 0 141 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.693 90.1 63.1 -67.4 -13.6 106.3 51.5 49.2 48 48 A K G <> S+ 0 0 52 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.633 83.7 80.5 -80.9 -14.5 104.3 54.6 50.3 49 49 A R H <> S+ 0 0 61 -3,-1.7 4,-2.6 -4,-0.4 -1,-0.2 0.912 88.0 51.4 -58.6 -45.3 103.3 55.2 46.7 50 50 A Q H > S+ 0 0 113 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.920 109.3 50.5 -56.4 -49.3 100.4 52.6 46.7 51 51 A G H > S+ 0 0 31 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.893 110.8 49.6 -58.4 -41.4 98.9 54.1 49.8 52 52 A A H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 107.3 54.1 -67.3 -37.7 99.1 57.6 48.2 53 53 A L H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 107.0 52.2 -62.1 -38.7 97.4 56.3 45.1 54 54 A E H X S+ 0 0 119 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.847 109.2 48.6 -63.4 -38.4 94.5 54.9 47.2 55 55 A L H X S+ 0 0 37 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.884 110.7 51.8 -70.8 -36.4 94.1 58.4 48.9 56 56 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.930 110.7 47.3 -63.4 -46.4 94.1 60.0 45.5 57 57 A K H X S+ 0 0 131 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.911 111.6 51.5 -61.8 -40.9 91.4 57.6 44.3 58 58 A K H X S+ 0 0 92 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.934 110.3 48.9 -61.5 -43.6 89.4 58.3 47.5 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.939 113.7 46.6 -60.6 -45.8 89.7 62.0 46.9 60 60 A Y H X S+ 0 0 18 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.933 113.2 47.6 -61.4 -50.8 88.5 61.6 43.3 61 61 A T H X S+ 0 0 76 -4,-3.0 4,-0.7 1,-0.2 3,-0.5 0.928 111.8 50.3 -60.1 -45.1 85.6 59.4 44.2 62 62 A Q H >< S+ 0 0 59 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.903 104.8 57.9 -61.1 -38.8 84.5 61.6 47.0 63 63 A Q H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.3 -1,-0.2 0.829 93.9 67.5 -62.7 -30.4 84.6 64.7 44.7 64 64 A L H >< S+ 0 0 57 -4,-1.4 3,-2.1 -3,-0.5 -1,-0.3 0.825 83.8 71.9 -60.8 -29.5 82.1 63.0 42.3 65 65 A A T << S+ 0 0 69 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.684 102.6 44.7 -58.8 -14.0 79.5 63.3 45.0 66 66 A F T < S+ 0 0 35 -3,-2.4 8,-0.8 -4,-0.2 2,-0.4 0.276 81.3 117.7-113.9 10.2 79.5 67.0 44.1 67 67 A R B < -B 73 0B 87 -3,-2.1 6,-0.2 6,-0.2 5,-0.1 -0.650 57.1-145.1 -74.8 127.1 79.5 66.7 40.4 68 68 A Q > - 0 0 29 4,-3.4 3,-2.2 -2,-0.4 -2,-0.1 -0.379 28.1 -98.1 -90.3 172.6 76.3 68.4 39.1 69 69 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 326,-0.1 0.860 127.5 57.5 -57.3 -30.8 74.1 67.4 36.0 70 70 A S T 3 S- 0 0 15 2,-0.1 43,-0.1 1,-0.1 3,-0.1 0.576 118.6-115.8 -71.3 -11.1 76.0 70.1 34.1 71 71 A S S < S+ 0 0 16 -3,-2.2 2,-0.1 1,-0.3 -1,-0.1 0.468 80.2 121.6 81.5 4.8 79.3 68.3 35.0 72 72 A A - 0 0 0 41,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.458 54.6-131.5 -89.0 171.9 80.3 71.5 37.0 73 73 A F B +B 67 0B 0 9,-0.5 9,-2.5 -6,-0.2 13,-0.4 -0.913 25.4 167.7-126.9 154.6 81.1 71.5 40.7 74 74 A A - 0 0 1 -8,-0.8 -56,-0.2 -2,-0.3 57,-0.1 -0.933 50.7 -98.6-151.5 163.8 80.2 73.4 43.8 75 75 A A S S+ 0 0 3 -2,-0.3 -57,-2.6 5,-0.2 2,-0.3 0.856 111.3 19.4 -53.4 -39.4 80.7 72.9 47.6 76 76 A F S > S- 0 0 102 -59,-0.2 3,-2.0 4,-0.1 -1,-0.1 -0.978 79.0-122.8-135.2 147.4 77.2 71.5 47.9 77 77 A V T 3 S+ 0 0 89 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.706 113.2 57.1 -63.8 -20.3 74.8 70.1 45.3 78 78 A K T 3 S+ 0 0 200 2,-0.1 -1,-0.3 -4,-0.0 2,-0.3 0.567 93.3 91.5 -82.7 -13.7 72.2 72.7 46.2 79 79 A R S < S- 0 0 92 -3,-2.0 3,-0.1 1,-0.1 50,-0.1 -0.645 89.3-101.1 -90.0 142.6 74.7 75.5 45.5 80 80 A A - 0 0 60 -2,-0.3 -5,-0.2 1,-0.1 -4,-0.1 -0.320 54.3 -95.6 -57.1 137.8 75.2 77.3 42.2 81 81 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 47,-0.3 -0.257 32.9-129.8 -61.5 137.3 78.3 75.9 40.3 82 82 A S > - 0 0 2 -9,-2.5 4,-2.3 1,-0.2 -9,-0.5 -0.764 6.8-156.4 -94.3 130.1 81.6 77.6 40.7 83 83 A T H > S+ 0 0 0 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.938 98.8 47.3 -64.2 -46.7 83.6 78.4 37.5 84 84 A W H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 112.7 46.5 -61.6 -49.3 86.8 78.5 39.6 85 85 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 112.6 51.3 -61.4 -43.3 86.2 75.2 41.5 86 86 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 -13,-0.4 -1,-0.2 0.943 112.2 45.8 -60.9 -45.0 85.2 73.5 38.3 87 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.815 112.0 52.3 -66.3 -31.1 88.4 74.7 36.6 88 88 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.883 105.0 54.7 -72.5 -35.3 90.4 73.6 39.7 89 89 A V H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.940 109.5 48.0 -61.2 -41.9 88.9 70.2 39.6 90 90 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.899 110.2 52.5 -62.2 -40.6 90.2 70.0 36.0 91 91 A K H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.891 117.5 37.1 -65.2 -37.5 93.6 71.2 37.0 92 92 A V H >X S+ 0 0 0 -4,-2.6 3,-0.9 2,-0.2 4,-0.7 0.949 116.7 49.2 -79.8 -48.8 93.9 68.6 39.8 93 93 A F H >X S+ 0 0 0 -4,-3.0 3,-1.0 -5,-0.3 4,-0.7 0.850 103.7 61.5 -59.5 -38.1 92.3 65.6 38.0 94 94 A S H 3< S+ 0 0 17 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 0.827 103.2 51.3 -58.7 -33.4 94.4 66.2 34.8 95 95 A L H << S+ 0 0 29 -3,-0.9 3,-0.3 -4,-0.6 -1,-0.3 0.689 108.9 51.5 -75.6 -21.2 97.5 65.5 36.9 96 96 A A H XX S+ 0 0 0 -3,-1.0 3,-2.7 -4,-0.7 4,-2.2 0.495 76.5 104.6 -94.4 -4.9 96.0 62.3 38.2 97 97 A V T 3< S+ 0 0 40 -4,-0.7 5,-0.4 -3,-0.4 -1,-0.2 0.770 90.5 34.3 -48.3 -38.9 95.0 60.8 34.8 98 98 A N T 34 S+ 0 0 160 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.212 115.2 61.2-102.0 14.4 97.9 58.2 34.8 99 99 A L T <4 S- 0 0 26 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.782 120.4 -6.6-101.8 -43.6 97.8 57.8 38.6 100 100 A I S < S- 0 0 23 -4,-2.2 2,-0.9 -44,-0.1 -1,-0.4 -0.819 93.2 -72.6-141.7 177.2 94.2 56.4 38.9 101 101 A A - 0 0 90 -2,-0.3 2,-0.6 -3,-0.1 -4,-0.1 -0.690 48.7-173.5 -81.9 108.0 91.3 55.9 36.6 102 102 A I - 0 0 22 -2,-0.9 2,-0.5 -5,-0.4 -45,-0.0 -0.916 24.6-126.9-105.9 123.9 89.8 59.3 35.8 103 103 A D >> - 0 0 77 -2,-0.6 4,-2.3 1,-0.2 3,-1.1 -0.545 10.2-151.4 -70.2 116.5 86.6 59.2 33.8 104 104 A S H 3> S+ 0 0 43 -2,-0.5 4,-2.9 1,-0.3 5,-0.5 0.769 95.9 63.4 -59.0 -28.1 87.0 61.5 30.7 105 105 A Q H 3> S+ 0 0 125 3,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.858 109.9 42.0 -62.2 -35.9 83.3 62.2 30.7 106 106 A V H <> S+ 0 0 3 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.973 120.0 40.2 -74.4 -60.3 83.9 63.8 34.1 107 107 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.959 124.3 37.9 -54.6 -55.4 87.1 65.6 33.2 108 108 A a H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.770 110.3 60.7 -71.9 -25.3 86.0 66.7 29.7 109 109 A G H X S+ 0 0 16 -4,-1.0 4,-2.1 -5,-0.5 -1,-0.2 0.910 107.2 46.6 -67.5 -36.7 82.4 67.4 30.8 110 110 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.2 -2,-0.2 0.906 112.0 50.3 -70.2 -41.5 83.7 70.0 33.2 111 111 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.942 110.2 51.0 -59.0 -47.9 85.9 71.4 30.5 112 112 A K H X S+ 0 0 61 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.902 109.8 49.3 -58.7 -43.1 83.0 71.6 28.1 113 113 A W H X>S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 5,-1.0 0.892 106.3 55.9 -62.5 -43.8 80.8 73.4 30.6 114 114 A L H X5S+ 0 0 0 -4,-2.1 4,-1.4 3,-0.2 -1,-0.2 0.938 116.7 37.2 -53.4 -49.3 83.5 76.0 31.4 115 115 A I H X5S+ 0 0 9 -4,-2.0 4,-0.8 3,-0.2 -2,-0.2 0.938 121.4 41.6 -68.8 -54.3 83.7 76.8 27.7 116 116 A L H <5S+ 0 0 2 -4,-3.1 277,-2.6 -5,-0.2 -3,-0.2 0.735 130.7 22.3 -71.6 -25.9 80.0 76.6 26.7 117 117 A E H <5S+ 0 0 72 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.729 126.9 36.1-113.1 -30.5 78.6 78.3 29.8 118 118 A K H < - 0 0 62 4,-3.1 3,-2.5 -2,-0.5 -2,-0.1 -0.298 29.3-103.2 -77.3 165.4 82.2 85.4 27.3 121 121 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.878 123.6 59.4 -57.2 -33.4 82.3 86.2 23.5 122 122 A D T 3 S- 0 0 60 2,-0.1 60,-0.1 448,-0.1 449,-0.1 0.489 122.5-106.7 -76.3 0.9 85.4 88.3 24.3 123 123 A G S < S+ 0 0 0 -3,-2.5 2,-0.1 1,-0.3 -1,-0.1 0.224 74.7 135.0 98.1 -15.7 87.2 85.2 25.7 124 124 A V - 0 0 0 -5,-0.1 -4,-3.1 58,-0.1 2,-0.4 -0.442 50.0-136.0 -68.6 137.0 87.1 86.1 29.4 125 125 A F B -C 119 0C 1 22,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.799 22.9-155.3 -94.3 138.2 86.0 83.4 31.9 126 126 A Q - 0 0 62 -8,-2.5 2,-0.6 -2,-0.4 21,-0.0 -0.913 12.8-142.4-119.5 143.1 83.6 84.5 34.5 127 127 A E + 0 0 42 -2,-0.4 -45,-0.1 1,-0.1 23,-0.0 -0.874 20.0 173.2 -97.8 120.9 82.8 83.3 38.0 128 128 A D S S+ 0 0 95 -2,-0.6 -1,-0.1 -47,-0.3 -46,-0.1 0.475 77.1 33.6-105.6 -4.6 79.0 83.5 38.8 129 129 A A S S- 0 0 11 -48,-0.1 -1,-0.2 -50,-0.1 -45,-0.1 -0.616 82.1-147.2-150.7 84.6 79.2 81.7 42.2 130 130 A P - 0 0 70 0, 0.0 4,-0.1 0, 0.0 -50,-0.0 -0.154 27.3-103.1 -53.3 143.2 82.4 82.3 44.2 131 131 A V - 0 0 7 1,-0.1 3,-0.2 2,-0.1 6,-0.1 -0.240 18.9-129.9 -65.0 156.3 83.7 79.4 46.4 132 132 A I S S+ 0 0 75 1,-0.2 2,-1.8 2,-0.1 3,-0.2 0.886 99.6 64.4 -75.2 -42.1 83.1 79.6 50.2 133 133 A H > + 0 0 36 1,-0.2 3,-2.3 2,-0.1 4,-0.2 -0.559 58.5 171.4 -86.9 78.5 86.8 78.9 51.1 134 134 A Q G > S+ 0 0 53 -2,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.713 71.7 76.4 -58.1 -19.3 88.2 82.0 49.6 135 135 A E G > S+ 0 0 44 1,-0.2 3,-0.7 -3,-0.2 -1,-0.3 0.784 88.8 57.7 -57.2 -37.7 91.4 80.8 51.4 136 136 A M G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.481 89.7 65.9 -86.1 -0.3 92.0 78.1 48.6 137 137 A I G X S- 0 0 11 -3,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.284 82.1-156.3-105.6 9.8 92.2 80.2 45.4 138 138 A G G X + 0 0 8 -3,-0.7 3,-2.7 1,-0.3 -1,-0.3 -0.183 70.0 6.4 56.0-138.5 95.4 82.0 46.3 139 139 A G G > S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.564 117.5 75.1 -54.1 -14.3 96.1 85.3 44.6 140 140 A L G < S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.684 76.1 77.6 -74.6 -14.1 92.6 85.3 43.0 141 141 A R G < S+ 0 0 120 -3,-2.7 2,-1.2 -7,-0.1 -1,-0.2 0.869 78.9 75.5 -62.9 -34.7 91.1 86.2 46.4 142 142 A N S < S- 0 0 66 -3,-0.7 -1,-0.1 -4,-0.3 0, 0.0 -0.708 81.7-156.1 -76.2 104.5 92.3 89.8 45.7 143 143 A N > + 0 0 113 -2,-1.2 3,-1.5 2,-0.1 2,-0.2 0.504 53.9 119.3 -62.9 -7.9 89.5 90.5 43.2 144 144 A N T 3 S+ 0 0 110 1,-0.3 -2,-0.1 2,-0.1 5,-0.1 -0.485 85.6 7.5 -65.1 128.8 91.6 93.2 41.5 145 145 A E T 3> S+ 0 0 39 -2,-0.2 4,-3.0 3,-0.1 -1,-0.3 0.814 84.9 156.7 70.3 35.6 92.2 92.3 37.8 146 146 A K H <>> + 0 0 108 -3,-1.5 4,-3.1 1,-0.2 5,-0.5 0.879 62.5 55.5 -63.9 -40.9 89.8 89.4 38.1 147 147 A D H >5S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -22,-0.5 0.911 117.2 38.0 -58.6 -41.7 88.9 89.0 34.5 148 148 A M H >5S+ 0 0 13 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.944 119.4 46.4 -74.9 -47.4 92.6 88.6 33.6 149 149 A A H X5S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.962 118.4 41.1 -60.9 -53.4 93.6 86.6 36.6 150 150 A L H X5S+ 0 0 15 -4,-3.1 4,-2.7 -5,-0.2 5,-0.3 0.878 113.1 54.4 -63.3 -38.0 90.6 84.2 36.4 151 151 A T H X< S+ 0 0 34 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.873 104.4 53.6 -64.9 -34.5 95.8 73.4 28.6 160 160 A E H 3< S+ 0 0 42 -4,-1.4 4,-0.3 -3,-0.4 -1,-0.2 0.845 115.2 39.0 -67.9 -33.0 96.3 70.5 31.0 161 161 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.1 5,-0.3 0.350 89.5 101.1 -98.9 8.4 93.2 68.8 29.7 162 162 A K H X S+ 0 0 0 -4,-2.7 4,-2.1 -7,-0.2 3,-0.8 0.682 87.2 96.2-102.9 -17.3 89.7 66.3 25.8 166 166 A E T 3< S+ 0 0 76 -4,-3.0 6,-0.2 -5,-0.3 -1,-0.1 0.746 87.8 53.2 -46.1 -31.8 90.3 67.9 22.4 167 167 A E T 34 S+ 0 0 148 -4,-0.4 -1,-0.3 -3,-0.2 3,-0.2 0.923 115.8 35.8 -70.7 -47.0 88.4 65.0 20.7 168 168 A Q T <4 S+ 0 0 69 -3,-0.8 2,-0.5 -4,-0.3 -2,-0.2 0.616 117.2 55.9 -83.1 -15.0 85.2 65.2 22.8 169 169 A V >< + 0 0 1 -4,-2.1 3,-1.7 -7,-0.1 -1,-0.2 -0.766 59.4 176.2-122.4 87.5 85.3 69.0 23.1 170 170 A N T 3 S+ 0 0 69 -2,-0.5 4,-0.4 1,-0.3 -1,-0.1 0.760 79.3 60.2 -63.2 -23.9 85.4 70.6 19.6 171 171 A S T 3> S+ 0 0 11 219,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.637 80.9 91.2 -79.8 -8.8 85.1 74.1 21.1 172 172 A L H <> S+ 0 0 1 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.926 82.6 48.6 -53.4 -52.9 88.4 73.7 23.0 173 173 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.934 115.6 44.4 -55.4 -46.3 90.8 75.0 20.4 174 174 A G H > S+ 0 0 22 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.866 110.7 55.0 -67.4 -35.5 88.8 78.1 19.7 175 175 A S H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.936 108.6 48.6 -60.9 -46.5 88.2 78.7 23.5 176 176 A I H X S+ 0 0 17 -4,-2.4 4,-3.6 -5,-0.2 5,-0.2 0.927 110.3 50.5 -60.3 -45.5 91.9 78.7 24.1 177 177 A T H X S+ 0 0 46 -4,-2.1 4,-3.7 -5,-0.2 5,-0.2 0.946 112.1 47.8 -60.6 -44.5 92.6 81.1 21.3 178 178 A K H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 113.9 45.6 -63.2 -45.8 90.0 83.5 22.6 179 179 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.958 115.1 49.2 -62.3 -45.1 91.2 83.3 26.1 180 180 A G H X S+ 0 0 0 -4,-3.6 4,-2.8 -5,-0.2 -2,-0.2 0.920 108.8 51.7 -59.2 -46.0 94.7 83.7 24.8 181 181 A D H X S+ 0 0 22 -4,-3.7 4,-2.8 1,-0.2 -1,-0.2 0.906 110.8 49.0 -56.8 -42.5 93.8 86.7 22.6 182 182 A F H X S+ 0 0 25 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.918 111.9 47.2 -66.2 -43.0 92.2 88.5 25.6 183 183 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 3,-0.3 0.941 114.5 47.3 -64.2 -45.3 95.2 87.9 27.8 184 184 A E H >< S+ 0 0 79 -4,-2.8 3,-0.7 -5,-0.2 4,-0.5 0.953 110.2 51.7 -62.4 -46.9 97.6 89.1 25.2 185 185 A A H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.764 121.0 32.7 -61.3 -24.5 95.6 92.2 24.3 186 186 A N H >< S+ 0 0 59 -4,-1.4 3,-0.8 -3,-0.3 -1,-0.2 0.422 88.5 97.8-114.8 1.1 95.4 93.4 28.0 187 187 A Y G X< S+ 0 0 0 -4,-1.2 3,-2.3 -3,-0.7 -2,-0.1 0.878 75.7 60.5 -56.2 -50.2 98.6 92.2 29.5 188 188 A M G 3 S+ 0 0 93 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.768 99.8 59.5 -54.1 -26.8 100.5 95.4 29.3 189 189 A N G < S+ 0 0 129 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.357 77.2 121.9 -83.7 2.3 97.9 97.1 31.5 190 190 A L < - 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