==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION/TOXIN 16-MAY-08 3D5S . COMPND 2 MOLECULE: COMPLEMENT C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.V.GEISBRECHT . 724 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 6 0.8 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 . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 391 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 0 0 3 1 1 5 0 2 2 4 5 1 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A G 0 0 74 0, 0.0 2,-0.2 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0 160.9 38.1 21.4 -4.4 2 3 A S - 0 0 33 1,-0.1 262,-0.0 261,-0.0 0, 0.0 -0.715 360.0 -73.4-113.1 167.1 40.9 18.9 -3.7 3 4 A R - 0 0 197 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.303 55.1-110.2 -59.6 142.1 42.5 16.4 -6.0 4 5 A S - 0 0 41 1,-0.1 2,-0.5 37,-0.1 -1,-0.1 -0.326 37.2 -96.0 -68.5 155.1 40.3 13.4 -6.9 5 6 A T - 0 0 15 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.654 54.6-101.3 -74.9 123.1 41.3 10.0 -5.4 6 7 A D > - 0 0 82 -2,-0.5 3,-1.8 1,-0.1 4,-0.4 -0.204 21.1-134.2 -52.8 126.3 43.3 8.3 -8.2 7 8 A A G > S+ 0 0 1 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.716 100.8 66.9 -51.4 -29.6 41.3 5.7 -10.2 8 9 A E G > S+ 0 0 88 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.816 93.0 59.0 -66.7 -29.3 44.1 3.2 -10.1 9 10 A R G < S+ 0 0 64 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.637 105.7 53.4 -72.4 -13.2 43.7 2.9 -6.3 10 11 A L G X S+ 0 0 2 -3,-1.1 3,-2.6 -4,-0.4 4,-0.2 0.527 72.3 100.8-101.5 -5.6 40.1 1.8 -7.0 11 12 A K G X S+ 0 0 51 -3,-0.8 3,-1.2 -4,-0.4 -1,-0.1 0.767 76.4 61.9 -53.4 -30.0 40.5 -1.1 -9.5 12 13 A H G 3 S+ 0 0 19 1,-0.2 -1,-0.3 -3,-0.2 627,-0.2 0.576 88.5 74.9 -73.9 -5.8 40.1 -3.8 -6.9 13 14 A L G < + 0 0 0 -3,-2.6 2,-1.3 625,-0.1 -1,-0.2 0.598 68.4 92.8 -82.8 -9.9 36.5 -2.5 -6.3 14 15 A I < + 0 0 23 -3,-1.2 626,-2.6 -4,-0.2 2,-0.3 -0.732 65.5 167.2 -86.9 98.1 35.1 -3.9 -9.5 15 16 A V - 0 0 41 -2,-1.3 16,-0.1 12,-0.3 -2,-0.1 -0.821 42.5-117.1-120.5 152.4 33.9 -7.2 -8.0 16 17 A T - 0 0 16 -2,-0.3 2,-0.4 371,-0.1 623,-0.1 -0.730 34.8-131.3 -83.7 126.7 31.7 -10.1 -9.0 17 18 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.659 40.5 153.7 -83.6 135.2 28.7 -10.4 -6.7 18 19 A S + 0 0 19 5,-0.4 9,-0.3 -2,-0.4 8,-0.2 -0.898 24.5 55.2-146.2 175.6 28.1 -13.9 -5.3 19 20 A G S S- 0 0 36 -2,-0.3 363,-0.1 4,-0.1 365,-0.0 -0.460 82.7 -52.5 94.2-168.0 26.5 -15.6 -2.2 20 21 A A S > S- 0 0 24 -2,-0.1 4,-2.6 363,-0.0 5,-0.3 0.068 83.3 -48.9 -92.5-156.4 23.0 -15.3 -0.7 21 22 A G T 4 S+ 0 0 0 57,-3.2 4,-0.3 1,-0.2 57,-0.2 0.706 136.2 28.5 -52.2 -29.9 20.9 -12.3 0.4 22 23 A E T >> S+ 0 0 2 56,-0.2 4,-1.7 2,-0.1 3,-0.5 0.863 119.4 51.2 -97.1 -51.9 23.6 -10.6 2.4 23 24 A Q H 3> S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -5,-0.4 0.848 105.2 59.5 -55.8 -37.2 26.8 -11.7 0.8 24 25 A N H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 106.8 46.4 -60.4 -42.4 25.4 -10.6 -2.6 25 26 A M H <> S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.818 106.6 59.1 -69.5 -28.9 25.1 -7.0 -1.3 26 27 A I H < S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.7 40.9 -64.8 -38.8 28.6 -7.3 0.1 27 28 A G H X S+ 0 0 10 -4,-2.0 4,-0.7 -9,-0.3 -12,-0.3 0.845 113.9 52.6 -77.3 -33.4 29.8 -7.9 -3.4 28 29 A M H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.886 96.0 70.4 -69.4 -40.2 27.6 -5.4 -5.1 29 30 A T H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.888 97.4 44.8 -44.3 -62.0 28.6 -2.5 -2.8 30 31 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 115.0 47.7 -56.1 -42.7 32.2 -1.8 -4.1 31 32 A T H X S+ 0 0 1 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.927 113.3 47.5 -67.3 -44.3 31.3 -2.0 -7.7 32 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.962 117.5 41.7 -61.2 -49.8 28.3 0.3 -7.5 33 34 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.901 111.9 54.1 -67.5 -41.2 30.2 2.9 -5.4 34 35 A A H X S+ 0 0 2 -4,-2.8 4,-3.1 -5,-0.3 5,-0.3 0.968 112.3 44.6 -56.3 -53.2 33.4 2.6 -7.5 35 36 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.928 112.4 52.9 -57.4 -44.7 31.5 3.3 -10.7 36 37 A H H X S+ 0 0 35 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.929 113.7 42.9 -54.1 -50.1 29.5 6.1 -9.0 37 38 A Y H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.930 114.3 48.7 -65.4 -47.5 32.8 7.8 -7.9 38 39 A L H <>S+ 0 0 3 -4,-3.1 5,-1.9 -5,-0.2 6,-0.4 0.801 111.2 51.9 -64.5 -29.3 34.6 7.3 -11.2 39 40 A D H ><5S+ 0 0 26 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.951 113.0 44.1 -69.7 -50.1 31.6 8.7 -13.0 40 41 A E H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.910 118.0 42.1 -63.1 -43.7 31.5 11.8 -10.8 41 42 A T T 3<5S- 0 0 21 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.356 106.5-130.1 -86.7 7.1 35.2 12.5 -10.9 42 43 A E T < 5 + 0 0 151 -3,-1.0 4,-0.3 -5,-0.2 -3,-0.2 0.882 58.3 141.4 46.7 56.8 35.3 11.7 -14.6 43 44 A Q < + 0 0 29 -5,-1.9 -1,-0.1 1,-0.1 -4,-0.1 0.172 37.1 97.4-109.9 16.1 38.2 9.3 -14.6 44 45 A W S >> S+ 0 0 6 -6,-0.4 4,-2.9 3,-0.2 3,-1.0 0.925 81.3 51.3 -72.7 -42.3 37.0 6.8 -17.1 45 46 A E G >4 S+ 0 0 120 1,-0.3 2,-2.3 2,-0.2 3,-0.6 0.990 113.1 44.7 -54.9 -65.2 38.9 8.1 -20.1 46 47 A K G 34 S+ 0 0 196 -4,-0.3 -1,-0.3 1,-0.2 -39,-0.1 -0.212 126.8 32.7 -76.7 50.7 42.2 8.1 -18.3 47 48 A F G <4 S- 0 0 22 -2,-2.3 -1,-0.2 -3,-1.0 -2,-0.2 0.333 128.3 -56.1-172.2 -25.0 41.5 4.6 -16.9 48 49 A G XX - 0 0 8 -4,-2.9 3,-2.1 -3,-0.6 4,-0.9 0.596 35.8-164.0 129.8 70.2 39.4 2.5 -19.3 49 50 A L H 3> S+ 0 0 36 -5,-0.4 4,-0.5 -4,-0.3 3,-0.4 0.778 95.1 56.0 -45.9 -33.9 36.1 3.6 -20.6 50 51 A E H >> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.765 93.9 65.9 -74.5 -25.6 35.3 0.0 -21.6 51 52 A K H <> S+ 0 0 84 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.816 92.9 65.5 -64.5 -28.9 35.9 -1.3 -18.1 52 53 A R H 3X S+ 0 0 2 -4,-0.9 4,-2.8 -3,-0.4 -1,-0.2 0.880 96.7 52.6 -61.9 -38.5 32.8 0.7 -17.1 53 54 A Q H < S+ 0 0 61 -4,-2.2 3,-0.8 1,-0.2 4,-0.2 0.810 106.3 58.8 -67.6 -31.9 20.5 -11.9 -8.1 66 67 A Q H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.843 95.5 64.5 -67.7 -31.4 19.3 -9.8 -5.2 67 68 A L H >< S+ 0 0 59 -4,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.767 88.6 67.3 -63.0 -25.1 15.8 -10.0 -6.6 68 69 A A T << S+ 0 0 69 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.670 102.2 49.2 -69.8 -12.3 15.9 -13.8 -5.9 69 70 A F T < S+ 0 0 38 -3,-1.9 8,-0.6 -4,-0.2 2,-0.6 0.289 80.1 116.5-108.0 8.6 15.9 -12.8 -2.2 70 71 A R B < -A 76 0A 91 -3,-1.6 6,-0.2 6,-0.1 5,-0.1 -0.683 58.6-146.3 -77.6 121.1 13.0 -10.4 -2.4 71 72 A Q > - 0 0 20 4,-2.8 3,-2.9 -2,-0.6 -2,-0.1 -0.433 28.5 -98.5 -86.4 163.9 10.3 -11.8 -0.2 72 73 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.802 125.3 58.8 -49.1 -30.2 6.6 -11.5 -0.8 73 74 A S T 3 S- 0 0 50 2,-0.1 43,-0.1 1,-0.1 3,-0.1 0.540 116.9-114.1 -76.9 -8.9 6.6 -8.6 1.7 74 75 A S S < S+ 0 0 17 -3,-2.9 2,-0.1 1,-0.4 -1,-0.1 0.303 81.5 119.1 87.4 -4.7 9.1 -6.7 -0.4 75 76 A A - 0 0 0 -5,-0.1 -4,-2.8 41,-0.1 -1,-0.4 -0.366 55.2-133.8 -85.3 169.7 11.6 -7.1 2.4 76 77 A F B +A 70 0A 0 9,-0.4 9,-2.3 -6,-0.2 13,-0.3 -0.906 25.8 162.3-127.3 154.2 15.0 -8.9 2.2 77 78 A A - 0 0 1 -8,-0.6 -56,-0.1 -2,-0.3 57,-0.1 -0.931 56.3 -90.1-157.7 166.2 17.0 -11.4 4.2 78 79 A A S S+ 0 0 5 -2,-0.3 -57,-3.2 5,-0.2 2,-0.3 0.855 115.3 20.1 -51.5 -38.9 19.9 -13.7 3.6 79 80 A F S > S- 0 0 114 -59,-0.2 3,-1.8 4,-0.1 -1,-0.1 -0.955 84.6-114.9-133.5 149.5 17.5 -16.5 2.5 80 81 A V T 3 S+ 0 0 66 -2,-0.3 -2,-0.0 1,-0.3 -11,-0.0 0.699 115.4 45.3 -59.4 -22.6 13.8 -16.2 1.3 81 82 A K T 3 S+ 0 0 198 2,-0.1 2,-0.3 -10,-0.1 -1,-0.3 0.312 91.5 99.7-104.7 8.0 12.5 -18.1 4.4 82 83 A R S < S- 0 0 87 -3,-1.8 3,-0.1 1,-0.1 50,-0.1 -0.738 91.4 -92.2 -91.4 143.8 14.5 -16.3 7.0 83 84 A A - 0 0 60 -2,-0.3 -5,-0.2 1,-0.1 -4,-0.1 -0.275 54.8-100.8 -53.7 135.1 12.8 -13.5 8.9 84 85 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 47,-0.3 -0.281 30.8-129.8 -62.8 141.1 13.4 -10.2 7.0 85 86 A S > - 0 0 1 -9,-2.3 4,-2.3 1,-0.2 -9,-0.4 -0.825 5.4-154.2 -96.6 128.4 16.1 -7.8 8.3 86 87 A T H > S+ 0 0 0 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.932 98.9 47.5 -63.2 -45.7 15.2 -4.2 8.8 87 88 A W H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.954 112.7 47.2 -62.7 -49.6 18.8 -3.2 8.2 88 89 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 112.4 49.4 -60.1 -40.6 19.3 -5.3 5.1 89 90 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 -13,-0.3 -1,-0.2 0.931 113.7 46.3 -65.6 -41.7 16.1 -4.1 3.5 90 91 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.891 111.7 52.3 -66.8 -37.3 17.1 -0.5 4.3 91 92 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.869 106.3 52.7 -66.7 -36.8 20.6 -1.2 2.9 92 93 A V H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.920 110.1 48.9 -63.5 -41.8 19.2 -2.5 -0.3 93 94 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.944 110.4 51.5 -60.6 -48.2 17.2 0.7 -0.7 94 95 A K H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.947 115.8 40.0 -53.4 -54.4 20.3 2.8 0.0 95 96 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.928 115.6 48.6 -64.7 -49.9 22.4 0.9 -2.6 96 97 A F H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.860 107.5 58.6 -61.7 -32.7 19.7 0.7 -5.3 97 98 A S H >< S+ 0 0 10 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.879 107.9 44.5 -63.9 -37.8 18.9 4.4 -4.8 98 99 A L H >< S+ 0 0 24 -4,-1.4 3,-0.6 -3,-0.3 -1,-0.2 0.738 110.6 56.7 -77.0 -22.5 22.5 5.3 -5.7 99 100 A A G >X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 3,-1.8 0.388 74.9 96.2 -88.8 2.2 22.4 2.9 -8.6 100 101 A V G <4 S+ 0 0 4 -3,-0.7 236,-0.3 -4,-0.3 -1,-0.2 0.695 84.7 54.3 -65.3 -15.9 19.4 4.5 -10.3 101 102 A N G <4 S+ 0 0 47 -3,-0.6 -1,-0.3 231,-0.1 231,-0.3 0.522 113.1 42.4 -90.6 -9.0 21.8 6.4 -12.4 102 103 A L T <4 S+ 0 0 3 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.850 116.2 4.8-109.0 -43.3 23.6 3.2 -13.6 103 104 A I S < S- 0 0 7 -4,-1.9 -1,-0.3 -44,-0.1 2,-0.2 -0.862 86.9 -72.9-137.2 173.1 21.2 0.4 -14.5 104 105 A A - 0 0 41 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.491 51.2-174.1 -67.9 131.6 17.5 -0.3 -14.8 105 106 A I - 0 0 6 -2,-0.2 2,-0.6 -5,-0.1 3,-0.0 -0.996 25.4-122.9-133.7 127.6 16.0 -0.5 -11.3 106 107 A D >> - 0 0 58 -2,-0.4 4,-2.3 1,-0.2 3,-1.0 -0.592 13.1-154.4 -75.2 113.7 12.4 -1.4 -10.6 107 108 A S H 3> S+ 0 0 4 -2,-0.6 4,-3.7 1,-0.3 5,-0.3 0.822 94.5 55.6 -52.8 -38.6 10.6 1.4 -8.6 108 109 A Q H 3> S+ 0 0 96 2,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.782 106.8 49.3 -70.3 -26.4 8.2 -1.1 -7.1 109 110 A V H <> S+ 0 0 4 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.962 117.6 41.3 -72.6 -52.2 11.0 -3.2 -5.8 110 111 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.949 122.6 37.9 -59.9 -52.8 12.6 -0.1 -4.3 111 112 A a H X S+ 0 0 0 -4,-3.7 4,-3.0 1,-0.2 -1,-0.2 0.745 110.0 62.0 -74.9 -20.7 9.4 1.5 -3.0 112 113 A G H X S+ 0 0 9 -4,-1.0 4,-2.0 -5,-0.3 -1,-0.2 0.899 107.5 45.1 -68.7 -37.8 7.9 -1.8 -2.0 113 114 A A H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.866 113.2 49.9 -72.3 -37.4 10.9 -2.1 0.4 114 115 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.970 110.8 49.6 -63.4 -50.3 10.4 1.4 1.6 115 116 A K H X S+ 0 0 69 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.907 110.3 51.0 -54.8 -45.0 6.7 0.9 2.2 116 117 A W H X>S+ 0 0 23 -4,-2.0 4,-2.6 1,-0.2 5,-0.7 0.882 107.6 52.1 -61.8 -42.9 7.4 -2.3 4.2 117 118 A L H X5S+ 0 0 0 -4,-2.0 4,-1.8 3,-0.2 5,-0.5 0.951 115.0 42.7 -59.3 -47.4 9.9 -0.6 6.4 118 119 A I H X5S+ 0 0 17 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.978 119.8 40.9 -60.7 -59.8 7.4 2.2 7.2 119 120 A L H <5S+ 0 0 109 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.791 130.6 22.4 -61.6 -34.6 4.3 -0.1 7.7 120 121 A E H <5S+ 0 0 127 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.768 126.0 35.6-109.6 -28.4 6.0 -2.9 9.6 121 122 A K H < - 0 0 70 4,-3.6 3,-2.0 -2,-0.5 -2,-0.1 -0.287 30.4-103.8 -75.8 164.5 7.3 2.4 16.0 124 125 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.786 122.6 56.9 -61.8 -24.6 4.7 5.1 16.7 125 126 A D T 3 S- 0 0 70 2,-0.1 60,-0.1 59,-0.0 -2,-0.0 0.350 124.7-101.7 -88.0 7.4 7.5 7.3 18.2 126 127 A G S < S+ 0 0 0 -3,-2.0 2,-0.1 1,-0.3 60,-0.1 0.255 76.1 136.7 96.8 -15.9 9.5 7.1 14.9 127 128 A V - 0 0 0 -5,-0.1 -4,-3.6 58,-0.1 2,-0.4 -0.393 45.2-142.3 -68.1 144.1 12.1 4.5 15.9 128 129 A F B -B 122 0B 0 22,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.920 19.5-157.9-107.6 132.6 13.0 1.8 13.4 129 130 A Q - 0 0 78 -8,-1.9 2,-0.6 -2,-0.4 -43,-0.1 -0.841 14.5-140.2-115.6 151.7 13.7 -1.7 14.9 130 131 A E + 0 0 26 -2,-0.3 -45,-0.1 1,-0.1 23,-0.0 -0.942 21.8 170.9-109.7 114.5 15.6 -4.7 13.8 131 132 A D S S+ 0 0 104 -2,-0.6 -1,-0.1 -47,-0.3 -46,-0.1 0.553 77.3 36.5 -99.3 -11.1 13.8 -8.0 14.6 132 133 A A S S- 0 0 10 -48,-0.2 -1,-0.2 -50,-0.1 -45,-0.1 -0.628 81.4-150.6-144.0 81.6 16.1 -10.3 12.6 133 134 A P - 0 0 70 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.109 28.6-102.3 -50.1 144.7 19.8 -9.2 12.6 134 135 A V - 0 0 5 1,-0.1 3,-0.2 2,-0.1 6,-0.1 -0.363 18.9-128.4 -69.5 149.8 21.8 -10.1 9.5 135 136 A I S S+ 0 0 84 1,-0.2 2,-2.1 2,-0.1 3,-0.1 0.939 102.0 67.3 -62.8 -44.9 24.2 -13.0 9.7 136 137 A H > + 0 0 37 1,-0.2 3,-2.7 2,-0.1 4,-0.3 -0.407 59.2 168.4 -81.0 72.6 27.0 -10.8 8.4 137 138 A Q G > S+ 0 0 60 -2,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.681 71.5 67.5 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1.5 22.5 148 149 A E T 3> S+ 0 0 46 -2,-0.2 4,-2.7 1,-0.1 -1,-0.2 0.857 80.9 151.7 55.6 39.1 22.5 4.1 21.1 149 150 A K H <> + 0 0 79 -3,-0.8 4,-3.1 2,-0.2 5,-0.4 0.889 65.3 53.9 -66.6 -43.9 21.2 1.4 18.7 150 151 A D H > S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 -22,-0.5 0.876 115.6 41.3 -59.3 -38.5 17.7 3.0 18.4 151 152 A M H > S+ 0 0 12 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.942 116.7 47.1 -73.5 -51.2 19.3 6.2 17.4 152 153 A A H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 117.6 41.6 -58.8 -46.0 21.9 4.7 15.1 153 154 A L H X S+ 0 0 6 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.850 113.8 51.5 -72.4 -36.4 19.5 2.4 13.3 154 155 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.4 5,-0.2 0.921 111.4 48.6 -67.1 -40.4 16.8 5.0 13.0 155 156 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.944 112.1 50.4 -62.3 -45.4 19.3 7.4 11.5 156 157 A F H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.936 114.3 41.7 -58.0 -51.5 20.5 4.7 9.1 157 158 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 113.4 53.9 -65.8 -39.4 16.9 3.7 7.9 158 159 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.889 105.1 54.5 -61.9 -38.4 15.9 7.4 7.7 159 160 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.937 109.4 48.0 -60.1 -44.6 18.9 8.1 5.5 160 161 A S H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.899 111.3 49.1 -63.3 -42.8 17.7 5.3 3.1 161 162 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.888 111.6 50.5 -65.1 -37.7 14.2 6.6 3.1 162 163 A Q H < S+ 0 0 24 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.872 110.3 48.4 -68.1 -37.4 15.5 10.2 2.3 163 164 A E H < S+ 0 0 36 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.675 113.6 48.2 -78.2 -13.3 17.7 9.0 -0.5 164 165 A A H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.2 3,-0.4 0.581 85.5 95.2 -97.4 -12.5 14.8 7.0 -2.0 165 166 A K H X S+ 0 0 64 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.1 0.858 81.1 50.9 -46.2 -52.5 12.3 9.9 -1.7 166 167 A D H 4 S+ 0 0 106 -4,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.920 117.3 41.6 -53.7 -44.6 12.8 11.2 -5.3 167 168 A I H 4 S+ 0 0 12 -3,-0.4 -2,-0.2 -4,-0.2 -1,-0.2 0.812 124.8 34.2 -73.1 -33.6 12.2 7.7 -6.6 168 169 A a H >X S+ 0 0 0 -4,-2.6 4,-1.7 -7,-0.2 3,-0.5 0.468 84.9 103.5-105.5 -1.1 9.3 6.8 -4.2 169 170 A E G >< S+ 0 0 66 -4,-2.3 3,-0.6 -5,-0.3 6,-0.1 0.912 86.0 40.5 -43.2 -64.3 7.5 10.2 -3.8 170 171 A E G 34 S+ 0 0 73 -4,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.719 122.1 40.3 -64.2 -25.0 4.6 9.5 -6.1 171 172 A Q G <4 S+ 0 0 61 -3,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.522 104.7 60.9-107.8 -2.1 4.0 5.9 -5.0 172 173 A V X< - 0 0 1 -4,-1.7 3,-1.4 -3,-0.6 -1,-0.2 -0.770 56.1-178.7-125.2 88.9 4.5 5.8 -1.2 173 174 A N T 3 S+ 0 0 146 -2,-0.5 4,-0.4 1,-0.3 -1,-0.1 0.794 80.9 52.7 -53.9 -36.3 2.0 8.1 0.4 174 175 A S T 3> S+ 0 0 45 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.642 83.4 92.2 -77.8 -14.8 3.2 7.5 3.9 175 176 A L H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.885 83.5 49.5 -48.7 -51.7 6.9 8.4 3.1 176 177 A P H > S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.932 114.1 46.2 -57.0 -45.1 6.7 12.1 4.0 177 178 A G H > S+ 0 0 45 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.868 111.4 51.8 -65.5 -36.2 5.1 11.4 7.4 178 179 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.895 107.4 51.9 -68.3 -40.0 7.5 8.6 8.2 179 180 A I H X S+ 0 0 9 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.922 111.4 48.7 -61.1 -41.2 10.5 10.8 7.5 180 181 A T H X S+ 0 0 70 -4,-1.8 4,-3.1 -5,-0.2 -2,-0.2 0.942 110.6 49.3 -64.4 -49.8 9.1 13.4 9.9 181 182 A K H X S+ 0 0 103 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.900 112.8 46.8 -58.3 -44.3 8.4 10.9 12.7 182 183 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.883 112.1 52.1 -66.5 -35.9 11.9 9.4 12.5 183 184 A G H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 0.963 105.4 54.4 -62.6 -48.8 13.3 13.0 12.5 184 185 A D H X S+ 0 0 64 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.899 109.2 49.2 -50.7 -44.6 11.3 13.9 15.6 185 186 A F H X S+ 0 0 30 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.923 112.0 46.3 -63.8 -45.8 12.8 10.9 17.4 186 187 A L H >X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.9 0.944 113.6 49.8 -61.8 -46.6 16.4 11.8 16.4 187 188 A E H 3X S+ 0 0 65 -4,-3.1 4,-0.5 1,-0.2 3,-0.3 0.900 106.6 54.1 -59.1 -45.0 15.9 15.5 17.3 188 189 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.667 121.3 29.8 -67.9 -16.2 14.5 14.8 20.7 189 190 A N H X< S+ 0 0 60 -3,-0.9 3,-1.0 -4,-0.8 4,-0.5 0.444 90.5 98.3-121.5 -3.7 17.4 12.6 21.8 190 191 A Y H >< S+ 0 0 0 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.1 0.892 79.7 55.2 -54.4 -47.9 20.3 14.1 19.8 191 192 A M T 3< S+ 0 0 86 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.761 103.8 57.0 -60.3 -24.4 21.7 16.2 22.6 192 193 A N T < S+ 0 0 116 -3,-1.0 -1,-0.3 -4,-0.0 -2,-0.2 0.560 80.1 121.7 -85.1 -6.2 21.9 13.2 24.9 193 194 A L < - 0 0 7 -3,-1.8 3,-0.0 -4,-0.5 -3,-0.0 -0.216 36.5-178.6 -59.3 145.1 24.1 11.2 22.4 194 195 A Q + 0 0 162 1,-0.0 2,-0.4 0, 0.0 -1,-0.1 0.652 55.8 80.3-114.9 -30.9 27.6 10.1 23.7 195 196 A R > - 0 0 32 1,-0.1 4,-2.4 37,-0.0 5,-0.2 -0.676 65.7-145.2 -90.7 133.7 29.1 8.3 20.7 196 197 A S H > S+ 0 0 15 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.885 100.8 59.2 -58.7 -38.4 30.7 10.3 17.8 197 198 A Y H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.929 108.7 41.6 -56.3 -51.4 29.5 7.6 15.4 198 199 A T H >>S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.920 111.7 56.3 -65.9 -41.5 25.8 8.2 16.3 199 200 A V H X5S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.930 112.2 44.3 -53.1 -47.0 26.3 12.0 16.4 200 201 A A H X5S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.897 117.4 40.5 -67.1 -46.5 27.7 11.8 12.8 201 202 A I H X5S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.899 119.8 43.9 -74.1 -40.5 25.1 9.5 11.3 202 203 A A H X5S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.827 111.5 59.6 -71.1 -26.2 22.1 11.0 13.0 203 204 A G H X<>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.9 0.869 109.6 57.9 -73.9 -34.4 18.9 15.5 10.4 207 208 A A H ><5S+ 0 0 7 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.845 97.5 61.6 -63.7 -34.6 20.8 17.7 8.1 208 209 A Q T 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.748 110.8 39.5 -65.1 -24.0 18.9 16.3 5.1 209 210 A M T < 5S- 0 0 43 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.027 117.1-111.4-112.7 27.0 15.7 17.6 6.5 210 211 A G T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.763 85.8 116.9 52.1 33.8 17.1 20.8 7.7 211 212 A R < + 0 0 45 -5,-2.8 2,-1.2 -6,-0.1 -4,-0.2 0.346 42.0 96.3-111.0 6.4 16.7 20.0 11.4 212 213 A L + 0 0 3 -6,-0.6 2,-0.3 4,-0.1 -1,-0.1 -0.739 63.6 101.4 -97.3 89.7 20.4 20.0 12.3 213 214 A K >> + 0 0 121 -2,-1.2 3,-1.5 4,-0.0 4,-0.8 -0.896 56.6 25.4-152.8-177.2 20.8 23.5 13.7 214 215 A G H 3> S- 0 0 48 1,-0.3 4,-2.0 -2,-0.3 5,-0.2 -0.255 129.0 -8.7 54.6-136.1 21.0 25.5 16.9 215 216 A P H 3> S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.811 137.3 58.6 -63.2 -27.7 22.4 23.5 19.8 216 217 A L H <> S+ 0 0 18 -3,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.947 107.5 45.4 -66.8 -45.3 22.1 20.2 17.7 217 218 A L H X S+ 0 0 42 -4,-0.8 4,-3.0 1,-0.2 5,-0.2 0.914 111.9 52.5 -63.5 -41.4 24.5 21.6 15.0 218 219 A N H X S+ 0 0 100 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.910 110.1 49.0 -60.5 -40.6 26.8 22.9 17.7 219 220 A K H X S+ 0 0 37 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.952 111.3 50.0 -63.0 -46.8 26.8 19.4 19.2 220 221 A F H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.4 0.934 115.1 42.5 -55.7 -50.9 27.6 17.9 15.8 221 222 A L H >< S+ 0 0 37 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.903 113.2 50.1 -67.0 -42.1 30.4 20.3 15.1 222 223 A T H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.648 97.3 69.7 -74.4 -12.6 32.1 20.2 18.6 223 224 A T H 3< S+ 0 0 33 -4,-1.2 8,-0.3 -3,-0.4 -1,-0.2 0.845 78.6 102.1 -71.4 -31.1 32.1 16.4 18.6 224 225 A A S << S- 0 0 14 -3,-0.8 2,-0.5 -4,-0.7 3,-0.5 -0.197 76.5-126.5 -56.2 139.9 34.7 16.5 15.9 225 226 A K B >> S-C 229 0C 108 4,-3.4 3,-2.1 1,-0.2 4,-0.8 -0.796 90.3 -12.6 -89.4 124.8 38.3 15.8 17.0 226 227 A D T 34 S- 0 0 109 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.767 116.2 -79.9 53.4 27.0 40.6 18.6 15.9 227 228 A K T 34 S+ 0 0 146 -3,-0.5 -1,-0.3 2,-0.2 35,-0.2 0.702 124.5 77.8 57.0 23.6 37.8 19.7 13.6 228 229 A N T <4 S+ 0 0 34 -3,-2.1 2,-0.3 1,-0.3 38,-0.2 0.420 89.3 30.4-139.9 2.3 38.6 17.1 11.0 229 230 A R B < -C 225 0C 40 -4,-0.8 -4,-3.4 36,-0.1 2,-0.6 -0.990 53.6-139.3-164.0 151.8 37.2 13.8 12.2 230 231 A W + 0 0 0 9,-0.4 13,-0.4 -2,-0.3 2,-0.3 -0.964 42.5 162.3-114.0 111.2 34.5 12.0 14.2 231 232 A E - 0 0 61 -2,-0.6 -35,-0.2 -8,-0.3 5,-0.1 -0.963 24.7-172.8-138.6 154.4 36.0 9.1 16.1 232 233 A D - 0 0 19 -2,-0.3 2,-0.5 3,-0.2 7,-0.1 -0.925 47.4 -86.8-134.3 156.7 35.4 6.7 19.0 233 234 A P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.562 94.8 69.9 -69.2 120.3 37.7 4.2 20.6 234 235 A G S S- 0 0 45 -2,-0.5 5,-0.0 0, 0.0 -2,-0.0 -0.963 93.1 -10.2 164.6-160.9 37.1 1.1 18.5 235 236 A K >> - 0 0 111 -2,-0.3 4,-0.9 1,-0.1 3,-0.8 -0.316 57.0-130.4 -62.6 143.5 38.0 -0.1 15.0 236 237 A Q H 3> S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.776 102.8 70.7 -65.0 -26.0 39.4 2.6 12.7 237 238 A L H 3> S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 94.2 51.8 -60.2 -37.4 36.8 1.5 10.1 238 239 A Y H <> S+ 0 0 27 -3,-0.8 4,-3.4 1,-0.2 -1,-0.2 0.860 108.6 52.4 -67.8 -35.0 33.9 2.9 12.0 239 240 A N H X S+ 0 0 6 -4,-0.9 4,-2.6 2,-0.2 -9,-0.4 0.874 108.6 49.2 -68.9 -36.7 35.7 6.3 12.3 240 241 A V H X S+ 0 0 5 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.881 115.0 45.8 -68.3 -35.5 36.2 6.4 8.6 241 242 A E H X S+ 0 0 2 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.937 114.3 47.5 -70.1 -48.0 32.5 5.6 8.1 242 243 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.932 110.1 51.2 -58.7 -49.9 31.5 8.2 10.7 243 244 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 -13,-0.4 -1,-0.2 0.836 108.8 53.7 -60.3 -30.6 33.6 10.9 9.3 244 245 A S H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.907 108.3 47.6 -71.4 -41.2 32.1 10.2 5.9 245 246 A Y H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.922 112.2 51.8 -62.9 -41.8 28.6 10.6 7.3 246 247 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.898 106.7 52.8 -61.7 -40.5 29.7 13.8 8.9 247 248 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 107.8 50.9 -63.3 -39.1 31.1 15.0 5.6 248 249 A L H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.845 109.9 51.1 -66.3 -31.9 27.8 14.4 3.9 249 250 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.967 109.0 49.7 -67.3 -51.9 26.1 16.4 6.7 250 251 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.3 4,-0.8 0.861 110.7 50.4 -54.1 -39.2 28.5 19.3 6.3 251 252 A L H <5S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.836 108.1 52.9 -70.0 -30.8 27.8 19.2 2.5 252 253 A Q H <5S+ 0 0 79 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.840 112.6 44.5 -70.6 -33.7 24.1 19.2 3.3 253 254 A L H <5S- 0 0 52 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.586 106.0-131.9 -83.8 -13.6 24.6 22.3 5.5 254 255 A K T <5 + 0 0 138 -4,-0.8 2,-1.9 -5,-0.2 -3,-0.2 0.783 51.2 155.5 63.4 28.5 26.9 23.9 2.8 255 256 A D >>< + 0 0 45 -5,-2.0 4,-1.1 1,-0.2 3,-0.8 -0.567 5.9 163.6 -84.4 74.9 29.4 24.6 5.6 256 257 A F T 34 + 0 0 60 -2,-1.9 -1,-0.2 1,-0.2 -5,-0.1 0.470 65.2 69.4 -74.6 -0.9 32.3 24.7 3.1 257 258 A D T 34 S+ 0 0 153 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.847 106.4 37.2 -81.8 -35.6 34.4 26.4 5.8 258 259 A F T <> S+ 0 0 36 -3,-0.8 4,-0.9 1,-0.1 -2,-0.2 0.689 103.5 77.4 -87.8 -20.4 34.5 23.2 7.9 259 260 A V H X S+ 0 0 2 -4,-1.1 4,-2.4 1,-0.2 3,-0.4 0.882 78.5 64.7 -59.0 -51.5 34.8 20.9 4.9 260 261 A P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.862 102.2 47.2 -44.0 -51.5 38.5 21.1 3.8 261 262 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.896 113.3 50.7 -61.1 -38.4 40.1 19.7 7.0 262 263 A V H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.4 5,-0.2 0.927 110.6 46.4 -66.3 -46.2 37.6 16.8 6.9 263 264 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.889 111.8 54.0 -63.2 -36.8 38.2 15.9 3.3 264 265 A R H X S+ 0 0 130 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.919 108.3 47.8 -64.3 -43.6 42.0 16.1 4.0 265 266 A W H X S+ 0 0 20 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.961 112.8 49.3 -61.7 -49.7 41.8 13.7 6.9 266 267 A L H ><>S+ 0 0 6 -4,-2.5 3,-1.2 1,-0.2 5,-0.6 0.926 112.5 47.2 -55.3 -46.9 39.7 11.3 4.8 267 268 A N H ><5S+ 0 0 41 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.895 107.9 56.5 -63.0 -38.9 42.2 11.5 1.9 268 269 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.554 93.8 68.0 -69.9 -9.2 45.2 11.0 4.3 269 270 A Q T <<5S- 0 0 66 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.714 89.5-150.8 -80.5 -18.8 43.7 7.7 5.5 270 271 A R T < 5 + 0 0 142 -3,-1.4 2,-0.7 -4,-0.5 -3,-0.1 0.915 32.7 166.1 49.0 44.9 44.4 6.3 2.1 271 272 A Y < + 0 0 28 -5,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.839 15.6 172.6 -93.8 117.5 41.4 4.1 2.6 272 273 A Y - 0 0 46 -2,-0.7 -1,-0.1 1,-0.2 -260,-0.1 0.139 36.3-130.7-112.5 19.8 40.5 2.5 -0.7 273 274 A G + 0 0 4 1,-0.1 -1,-0.2 8,-0.0 6,-0.1 0.163 52.9 108.8 62.6-178.6 37.8 0.0 0.5 274 275 A G + 0 0 17 4,-0.2 104,-0.1 1,-0.2 103,-0.1 0.158 43.3 70.9 90.8 151.6 37.4 -3.7 -0.2 275 276 A G S > S- 0 0 20 101,-0.2 3,-1.6 102,-0.1 104,-0.2 -0.210 87.4 -23.2 97.0 169.8 37.9 -6.7 2.0 276 277 A Y T 3 S+ 0 0 114 102,-2.6 102,-0.1 1,-0.3 103,-0.0 -0.276 128.1 4.4 -55.9 131.4 36.1 -8.3 4.9 277 278 A G T 3 S+ 0 0 19 1,-0.1 -1,-0.3 -141,-0.0 4,-0.2 0.662 97.7 110.7 66.3 22.1 34.0 -5.9 7.0 278 279 A S <> + 0 0 9 -3,-1.6 4,-3.3 1,-0.1 5,-0.3 0.409 38.4 106.5-104.6 -0.5 34.6 -3.0 4.7 279 280 A T H > S+ 0 0 4 -141,-0.2 4,-2.5 1,-0.2 5,-0.3 0.899 85.0 35.3 -47.7 -59.4 31.1 -2.6 3.3 280 281 A Q H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.925 120.0 49.8 -66.6 -41.0 29.9 0.5 5.1 281 282 A A H > S+ 0 0 3 -4,-0.2 4,-2.4 1,-0.2 5,-0.3 0.909 114.0 45.8 -62.4 -42.4 33.3 2.2 5.1 282 283 A T H X S+ 0 0 2 -4,-3.3 4,-1.4 2,-0.2 5,-0.2 0.946 117.1 42.4 -66.0 -49.2 33.7 1.5 1.4 283 284 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.937 119.5 43.9 -64.6 -46.2 30.3 2.7 0.4 284 285 A M H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.911 109.2 51.8 -68.9 -46.4 30.3 5.7 2.7 285 286 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.945 116.8 41.3 -59.1 -45.7 33.7 7.1 2.1 286 287 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.830 112.7 52.1 -74.3 -28.7 33.2 7.1 -1.7 287 288 A Q H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.943 114.5 46.6 -67.2 -42.8 29.6 8.3 -1.6 288 289 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.921 113.8 44.6 -63.0 -48.7 31.0 11.2 0.6 289 290 A L H X S+ 0 0 7 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.867 113.5 51.7 -65.8 -36.3 34.0 12.0 -1.6 290 291 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.946 111.1 47.2 -64.9 -46.6 31.8 11.8 -4.7 291 292 A Q H X S+ 0 0 49 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.909 112.8 50.6 -59.8 -42.1 29.3 14.2 -3.1 292 293 A Y H X S+ 0 0 10 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.974 108.6 50.0 -58.9 -55.2 32.1 16.5 -2.2 293 294 A Q H < S+ 0 0 55 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 116.3 45.1 -53.8 -30.6 33.6 16.4 -5.7 294 295 A K H < S+ 0 0 127 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.815 125.2 26.8 -85.3 -32.5 30.1 17.3 -6.9 295 296 A D H < S+ 0 0 60 -4,-2.5 -3,-0.2 -3,-0.3 -2,-0.2 0.925 89.2 96.2 -95.3 -63.8 29.2 20.0 -4.4 296 297 A A < 0 0 18 -4,-1.1 -45,-0.0 -5,-0.3 0, 0.0 0.096 360.0 360.0 -36.3 137.0 32.3 21.8 -3.0 297 298 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.251 360.0 360.0 -61.0 360.0 33.2 25.1 -4.7 298 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 299 11 C T >> 0 0 136 0, 0.0 3,-0.9 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 15.3 -4.7 15.5 -10.9 300 12 C D H 3> + 0 0 118 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.757 360.0 69.7 -73.1 -22.7 -1.4 17.5 -10.8 301 13 C A H 3> S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.697 93.3 53.5 -64.4 -22.7 -0.2 13.9 -10.3 302 14 C T H <> S+ 0 0 58 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.837 109.0 48.3 -80.5 -34.0 -1.1 13.1 -13.9 303 15 C I H X S+ 0 0 98 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.855 109.6 52.6 -71.9 -38.4 1.0 16.1 -15.1 304 16 C K H X S+ 0 0 102 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.959 112.4 44.5 -62.1 -51.4 4.0 15.0 -12.9 305 17 C K H X S+ 0 0 49 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.890 113.5 50.9 -61.1 -39.5 3.9 11.5 -14.4 306 18 C E H X S+ 0 0 94 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 111.6 48.5 -65.9 -36.9 3.4 13.0 -17.9 307 19 C Q H X S+ 0 0 99 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.866 107.1 53.9 -69.4 -38.5 6.4 15.3 -17.3 308 20 C K H X S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.926 109.0 51.5 -59.8 -43.9 8.6 12.5 -16.0 309 21 C L H X S+ 0 0 24 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.898 111.5 45.1 -59.5 -45.1 7.8 10.6 -19.3 310 22 C I H X S+ 0 0 62 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.949 112.1 51.9 -65.5 -49.2 8.8 13.6 -21.4 311 23 C Q H X S+ 0 0 108 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.914 112.5 46.8 -51.4 -47.0 11.9 14.2 -19.4 312 24 C A H X S+ 0 0 0 -4,-2.7 4,-2.9 22,-0.3 5,-0.3 0.956 111.8 49.2 -61.2 -52.5 12.8 10.6 -20.0 313 25 C Q H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.877 114.1 47.2 -54.6 -42.6 12.0 10.6 -23.7 314 26 C N H X S+ 0 0 72 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.936 114.5 43.8 -66.9 -48.3 14.1 13.8 -24.1 315 27 C L H X S+ 0 0 42 -4,-2.6 4,-2.3 -5,-0.2 16,-0.3 0.849 113.3 51.8 -68.2 -34.2 17.1 12.6 -22.2 316 28 C V H X S+ 0 0 1 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.943 110.8 47.8 -66.9 -45.6 17.0 9.1 -23.8 317 29 C R H X S+ 0 0 107 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.903 112.5 50.5 -59.9 -39.5 17.0 10.8 -27.2 318 30 C E H >X S+ 0 0 88 -4,-2.2 4,-2.0 2,-0.2 3,-0.8 0.866 106.2 54.2 -66.4 -37.6 19.8 13.0 -26.1 319 31 C F H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.933 104.2 55.6 -61.9 -43.1 21.8 9.9 -24.9 320 32 C E H 3< S+ 0 0 66 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.715 110.5 48.5 -60.6 -19.8 21.4 8.4 -28.4 321 33 C K H << S+ 0 0 149 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.847 125.1 19.5 -91.5 -37.6 23.0 11.6 -29.7 322 34 C T H < S- 0 0 61 -4,-2.0 40,-0.2 2,-0.1 -3,-0.2 0.741 74.5-153.5-106.7 -26.5 26.1 12.1 -27.5 323 35 C H < + 0 0 39 -4,-2.4 39,-1.9 -5,-0.3 2,-0.2 0.787 42.0 148.5 57.3 31.4 26.8 8.6 -26.0 324 36 C T > - 0 0 36 37,-0.2 4,-1.8 1,-0.1 -1,-0.2 -0.517 61.0-120.4 -93.0 164.5 28.6 10.1 -22.9 325 37 C V H > S+ 0 0 10 38,-1.3 4,-2.3 2,-0.2 5,-0.2 0.900 116.4 54.0 -67.0 -39.0 28.7 8.7 -19.4 326 38 C S H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 110.0 45.0 -59.2 -50.7 27.0 11.9 -18.2 327 39 C A H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.810 109.6 57.0 -64.4 -32.8 24.2 11.5 -20.7 328 40 C H H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.957 106.9 48.6 -62.3 -49.9 23.8 7.8 -19.8 329 41 C A H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.905 112.2 47.1 -57.2 -48.4 23.3 8.7 -16.1 330 42 C K H X S+ 0 0 121 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.924 115.8 45.7 -62.2 -44.1 20.6 11.3 -16.8 331 43 C A H X S+ 0 0 0 -4,-2.2 4,-2.8 -16,-0.3 5,-0.2 0.955 113.8 47.9 -63.6 -50.9 18.8 9.1 -19.2 332 44 C Q H X S+ 0 0 1 -4,-3.2 4,-2.5 -231,-0.3 -2,-0.2 0.934 114.6 45.1 -57.4 -49.7 18.9 6.0 -17.0 333 45 C K H X S+ 0 0 66 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2,-0.2 3,-0.5 0.786 93.8 65.8 -74.3 -27.7 45.5 -10.1 15.0 415 52 B K H <> S+ 0 0 93 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.817 93.0 65.0 -63.3 -28.7 44.1 -9.5 11.4 416 53 B R H 3X S+ 0 0 1 -4,-0.9 4,-2.9 -3,-0.4 -1,-0.2 0.901 96.9 52.8 -61.9 -40.6 46.1 -12.6 10.5 417 54 B Q H < S+ 0 0 58 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.818 106.2 59.3 -68.1 -33.1 33.5 -24.9 1.4 430 67 B Q H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.840 95.0 64.4 -66.7 -31.4 35.7 -26.1 -1.4 431 68 B L G >< S+ 0 0 59 -4,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.770 88.7 67.7 -63.4 -25.0 35.4 -29.7 -0.1 432 69 B A G < S+ 0 0 67 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.677 102.1 48.9 -68.7 -13.3 31.7 -29.6 -0.8 433 70 B F G < S+ 0 0 38 -3,-1.8 8,-0.6 -4,-0.3 2,-0.6 0.289 80.5 115.7-108.0 8.3 32.6 -29.5 -4.4 434 71 B R B < -D 440 0D 91 -3,-1.6 6,-0.2 6,-0.1 5,-0.1 -0.695 58.7-146.6 -78.8 121.4 35.1 -32.4 -4.3 435 72 B Q > - 0 0 21 4,-2.7 3,-2.7 -2,-0.6 -2,-0.1 -0.430 28.9 -97.6 -86.7 164.2 33.6 -35.1 -6.5 436 73 B P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 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1,-0.1 50,-0.1 -0.701 91.3 -92.7 -88.0 143.5 29.1 -30.9 -13.6 447 84 B A - 0 0 59 -2,-0.3 -5,-0.2 1,-0.1 -4,-0.1 -0.291 55.0-100.3 -54.5 134.7 31.9 -32.7 -15.5 448 85 B P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 47,-0.3 -0.252 30.7-128.9 -61.8 140.7 35.2 -32.0 -13.7 449 86 B S > - 0 0 2 -9,-2.5 4,-2.2 1,-0.2 -9,-0.5 -0.807 5.9-155.0 -94.8 129.3 37.6 -29.3 -14.9 450 87 B T H > S+ 0 0 0 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.960 98.5 46.4 -63.7 -50.1 41.3 -30.2 -15.4 451 88 B W H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.935 113.0 47.7 -59.4 -49.0 42.3 -26.6 -14.9 452 89 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 112.4 49.2 -61.3 -40.6 40.2 -26.1 -11.8 453 90 B T H X S+ 0 0 0 -4,-2.2 4,-1.8 -13,-0.3 -1,-0.2 0.922 113.7 46.8 -65.2 -40.2 41.4 -29.3 -10.2 454 91 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.879 111.9 51.2 -68.2 -36.0 45.0 -28.3 -11.0 455 92 B Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.853 106.6 53.2 -69.7 -34.6 44.3 -24.8 -9.6 456 93 B V H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 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697 45 D K H X S+ 0 0 67 -4,-2.8 4,-1.0 -232,-0.2 -1,-0.2 0.942 112.5 50.6 -62.4 -46.2 53.3 -27.7 7.2 698 46 D A H >X S+ 0 0 12 -4,-2.2 3,-0.7 -5,-0.3 4,-0.6 0.917 111.3 48.1 -57.6 -45.1 55.0 -30.5 9.1 699 47 D V H >< S+ 0 0 2 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.931 106.5 55.7 -63.8 -43.7 51.7 -31.7 10.5 700 48 D N H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 -236,-0.3 -229,-0.2 0.735 105.1 57.2 -61.0 -18.6 50.1 -31.7 7.1 701 49 D L H << S+ 0 0 37 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.622 78.8 108.1 -87.9 -14.5 53.0 -33.9 6.0 702 50 D V S << S- 0 0 0 -3,-1.6 -231,-0.2 -4,-0.6 -33,-0.1 -0.465 78.0-107.6 -67.3 132.2 52.3 -36.7 8.5 703 51 D S > - 0 0 25 -2,-0.2 3,-1.8 -34,-0.2 7,-0.1 -0.146 18.1-117.3 -58.4 151.6 50.9 -39.9 6.9 704 52 D F G > S+ 0 0 42 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.538 108.8 83.6 -67.1 -5.9 47.3 -40.9 7.4 705 53 D E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.868 95.9 39.5 -62.9 -38.0 48.9 -43.9 9.0 706 54 D Y G <> S+ 0 0 61 -3,-1.8 4,-2.5 1,-0.2 5,-0.3 -0.115 76.6 146.7-101.6 32.5 49.2 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47.5 -28.6 19.5 717 65 D I H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 3,-0.3 0.966 108.4 52.6 -66.3 -53.3 48.2 -26.1 16.7 718 66 D D H X S+ 0 0 30 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.836 108.7 53.2 -51.9 -35.1 44.7 -24.8 16.7 719 67 D N H X S+ 0 0 61 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.899 105.8 49.5 -70.5 -42.2 45.0 -24.3 20.5 720 68 D V H X S+ 0 0 2 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.2 0.876 110.2 54.1 -62.8 -36.5 48.2 -22.2 20.3 721 69 D L H < S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 104.0 54.6 -65.6 -33.5 46.4 -20.1 17.7 722 70 D K H < S+ 0 0 159 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 106.2 52.6 -67.4 -37.0 43.5 -19.6 20.1 723 71 D Q H < S- 0 0 135 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.865 118.1-113.1 -66.9 -36.3 46.0 -18.2 22.6 724 72 D G < - 0 0 30 -4,-1.6 2,-0.2 -5,-0.1 -1,-0.1 -0.126 19.0-101.0 115.3 147.8 47.4 -15.7 20.1 725 73 D L - 0 0 25 -4,-0.2 2,-0.3 -312,-0.1 -37,-0.2 -0.611 19.1-152.6-100.3 163.7 50.6 -15.1 18.2 726 74 D V 0 0 98 -39,-2.0 -317,-0.0 1,-0.4 -2,-0.0 -0.726 360.0 360.0-141.1 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