==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA/INHIBITOR 05-FEB-12 4DL5 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,CHRISTIAN BIERTUMPFEL,M.GREGORY,F.HANAOKA,Y.HUA,W.YAN . 424 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 15.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 1 1 0 1 3 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 A 0 0 129 0, 0.0 300,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.8 63.2 -26.0 -7.5 2 3 A T - 0 0 68 298,-0.0 0, 0.0 299,-0.0 0, 0.0 0.256 360.0-115.5-101.9 8.2 64.4 -24.2 -4.5 3 4 A G S S+ 0 0 1 1,-0.1 299,-0.2 298,-0.1 3,-0.1 0.892 82.4 123.2 59.1 41.7 62.7 -21.1 -5.8 4 5 A Q + 0 0 41 1,-0.1 -1,-0.1 297,-0.1 211,-0.1 0.133 36.4 104.9-113.7 15.2 65.9 -19.2 -6.2 5 6 A D S S+ 0 0 92 209,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.839 76.0 45.2 -67.8 -37.1 65.3 -18.5 -9.9 6 7 A R - 0 0 28 208,-0.5 2,-0.6 -3,-0.1 180,-0.0 -0.748 66.2-140.9-111.9 155.1 64.4 -14.8 -9.6 7 8 A V - 0 0 0 -2,-0.3 113,-2.5 178,-0.0 114,-0.6 -0.972 32.1-179.4-109.7 116.0 65.8 -11.8 -7.8 8 9 A V E -AB 119 213A 0 205,-4.1 205,-3.0 -2,-0.6 2,-0.4 -0.943 10.7-168.0-122.8 137.4 62.9 -9.7 -6.5 9 10 A A E -AB 118 212A 0 109,-3.0 109,-3.2 -2,-0.4 2,-0.5 -0.951 8.6-160.3-123.5 143.0 62.8 -6.5 -4.6 10 11 A L E -AB 117 211A 0 201,-2.0 201,-2.0 -2,-0.4 2,-0.6 -0.986 10.7-165.0-119.2 119.3 60.1 -4.6 -2.8 11 12 A V E -AB 116 210A 1 105,-2.2 105,-1.5 -2,-0.5 2,-0.4 -0.919 8.7-178.8-107.3 122.6 60.7 -1.0 -2.1 12 13 A D E -AB 115 209A 18 197,-3.1 197,-2.9 -2,-0.6 103,-0.2 -0.978 25.6-123.9-126.4 126.7 58.4 0.7 0.4 13 14 A M E > - B 0 208A 2 101,-2.5 3,-0.5 -2,-0.4 2,-0.5 -0.357 29.4-114.5 -66.9 142.2 58.5 4.4 1.4 14 15 A D T 3 S- 0 0 5 193,-2.1 5,-0.3 1,-0.2 193,-0.2 -0.665 87.8 -24.7 -81.2 121.0 59.0 5.1 5.1 15 16 A C T 3> S- 0 0 19 -2,-0.5 4,-2.1 3,-0.1 3,-0.3 0.889 85.0-169.6 40.4 62.8 55.8 6.9 6.5 16 17 A F H <> S+ 0 0 9 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.848 72.0 46.1 -57.0 -53.6 55.0 8.1 3.0 17 18 A F H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 113.8 52.4 -60.0 -36.7 52.2 10.7 3.4 18 19 A V H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.912 108.4 50.4 -62.8 -43.6 54.2 12.2 6.3 19 20 A Q H X S+ 0 0 22 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.894 107.6 52.7 -62.8 -42.1 57.3 12.5 4.2 20 21 A V H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.929 114.7 42.1 -58.9 -45.7 55.3 14.2 1.4 21 22 A E H X S+ 0 0 11 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.882 113.8 53.0 -67.6 -39.2 54.0 16.8 3.9 22 23 A Q H < S+ 0 0 22 -4,-2.9 7,-0.3 2,-0.2 6,-0.2 0.885 107.8 50.3 -64.4 -40.8 57.4 17.1 5.5 23 24 A R H < S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.931 115.7 42.6 -62.2 -45.8 59.2 17.8 2.2 24 25 A Q H < S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.900 123.1 39.7 -67.5 -42.6 56.6 20.5 1.4 25 26 A N >< - 0 0 64 -4,-3.1 3,-1.7 -5,-0.1 4,-0.4 -0.878 67.5-169.0-114.6 99.8 56.7 21.9 5.0 26 27 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.725 82.4 70.2 -55.4 -27.6 60.2 21.9 6.5 27 28 A H G 3 S+ 0 0 151 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.769 93.6 56.2 -65.9 -25.3 58.9 22.7 10.0 28 29 A L G X S+ 0 0 14 -3,-1.7 3,-1.0 -6,-0.2 -1,-0.3 0.699 84.7 116.0 -76.4 -19.5 57.4 19.1 10.2 29 30 A R T < S+ 0 0 111 -3,-1.1 -10,-0.0 -4,-0.4 -6,-0.0 -0.169 82.1 1.8 -62.0 141.0 60.8 17.6 9.5 30 31 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.840 110.2 109.1 53.4 38.2 62.5 15.4 12.2 31 32 A K S < S- 0 0 101 -3,-1.0 2,-0.5 44,-0.0 22,-0.3 -0.962 85.0 -84.2-138.1 155.3 59.5 15.8 14.5 32 33 A P + 0 0 24 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.538 67.6 167.1 -61.8 124.7 56.7 13.7 15.8 33 34 A C E -g 75 0B 0 -2,-0.5 17,-2.6 41,-0.2 2,-0.3 -0.890 25.2-178.0-140.8 154.7 54.2 14.0 13.0 34 35 A A E -gH 76 49B 0 41,-2.2 43,-2.4 -2,-0.3 2,-0.5 -0.993 22.6-131.5-157.0 154.8 51.1 12.6 11.6 35 36 A V E -gH 77 48B 0 13,-2.3 12,-3.0 -2,-0.3 13,-1.3 -0.911 31.7-176.6-104.2 128.6 48.8 13.1 8.6 36 37 A V E -gH 78 46B 0 41,-2.5 43,-3.6 -2,-0.5 2,-0.4 -0.873 15.7-155.2-125.2 157.9 45.1 13.4 9.3 37 38 A Q E S+ H 0 45B 61 8,-1.8 8,-1.7 -2,-0.3 43,-0.1 -0.984 73.4 18.9-131.7 142.0 41.8 13.7 7.3 38 39 A Y > - 0 0 76 -2,-0.4 3,-1.0 41,-0.3 -1,-0.2 0.994 64.4-169.9 64.0 67.0 38.5 15.2 8.5 39 40 A K T 3> S+ 0 0 72 1,-0.2 4,-0.7 5,-0.2 5,-0.1 0.747 71.3 74.4 -58.6 -30.2 39.7 17.3 11.4 40 41 A S T 34 S+ 0 0 126 3,-0.2 2,-0.8 2,-0.1 3,-0.3 0.835 85.8 65.9 -60.2 -37.4 36.2 18.1 12.7 41 42 A W T X4 S- 0 0 150 -3,-1.0 3,-2.7 1,-0.2 -1,-0.1 -0.795 131.2 -29.7 -95.8 114.1 35.5 14.7 14.1 42 43 A K T 34 S- 0 0 99 -2,-0.8 23,-1.9 1,-0.3 24,-0.4 0.820 118.5 -57.9 57.2 36.6 37.7 13.8 17.1 43 44 A G T 3< S- 0 0 6 -4,-0.7 -1,-0.3 -3,-0.3 -3,-0.2 0.382 102.5 -74.4 75.5 -6.1 40.5 15.9 15.7 44 45 A G < - 0 0 0 -3,-2.7 20,-2.8 -6,-0.1 2,-0.3 0.071 60.0 -69.0 96.9 150.7 40.4 13.8 12.5 45 46 A G E -HI 37 63B 13 -8,-1.7 -8,-1.8 18,-0.2 2,-0.5 -0.575 44.5-128.7 -77.3 133.7 41.5 10.3 11.8 46 47 A I E +H 36 0B 1 16,-1.2 15,-4.5 -2,-0.3 16,-0.3 -0.718 33.7 166.5 -82.0 125.7 45.2 9.6 11.6 47 48 A I E + 0 0 39 -12,-3.0 2,-0.3 -2,-0.5 -11,-0.2 0.558 64.8 31.2-116.2 -14.2 46.2 7.9 8.4 48 49 A A E -H 35 0B 9 -13,-1.3 -13,-2.3 11,-0.1 2,-0.4 -0.996 63.5-164.4-146.9 142.5 50.0 8.3 8.5 49 50 A V E -H 34 0B 6 -2,-0.3 -15,-0.2 -15,-0.2 11,-0.1 -0.984 16.7-132.2-135.4 127.1 52.5 8.5 11.4 50 51 A S > - 0 0 0 -17,-2.6 4,-2.0 -2,-0.4 5,-0.2 -0.321 29.7-115.7 -68.2 157.4 56.2 9.7 11.5 51 52 A Y H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.813 116.9 56.9 -68.9 -29.8 58.7 7.5 13.3 52 53 A E H 4 S+ 0 0 71 -21,-0.3 4,-0.5 1,-0.2 3,-0.3 0.907 110.2 45.9 -61.6 -41.4 59.3 10.1 15.9 53 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 1,-0.2 3,-1.2 0.844 104.4 60.7 -70.7 -35.3 55.5 10.0 16.6 54 55 A R H ><5S+ 0 0 98 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.776 93.5 66.3 -64.3 -26.0 55.4 6.2 16.6 55 56 A A T 3<5S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.816 98.7 52.4 -62.8 -30.6 57.9 6.3 19.6 56 57 A F T < 5S- 0 0 110 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.444 126.6-104.1 -84.4 -1.5 55.1 7.9 21.6 57 58 A G T < 5 + 0 0 38 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.530 66.6 156.4 91.1 7.2 52.8 5.1 20.6 58 59 A V < - 0 0 3 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.480 19.9-174.7 -66.3 133.3 50.8 7.1 18.0 59 60 A T > - 0 0 71 -2,-0.2 3,-1.2 -11,-0.0 -13,-0.2 -0.875 29.1 -89.9-131.7 161.6 49.2 4.7 15.5 60 61 A R T 3 S+ 0 0 169 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.390 110.6 28.0 -68.1 146.7 47.2 4.9 12.2 61 62 A S T 3 S+ 0 0 101 -15,-4.5 2,-0.5 1,-0.3 -1,-0.2 0.569 90.9 130.1 78.7 8.6 43.5 5.0 12.6 62 63 A M < - 0 0 37 -3,-1.2 -16,-1.2 -16,-0.3 -1,-0.3 -0.818 68.3-107.9 -96.8 131.2 43.9 6.7 16.0 63 64 A W B > -I 45 0B 97 -2,-0.5 4,-2.6 -18,-0.2 3,-0.2 -0.296 22.9-127.0 -59.8 141.4 41.8 9.8 16.5 64 65 A A H > S+ 0 0 1 -20,-2.8 4,-2.3 -22,-0.4 -21,-0.2 0.875 110.2 55.4 -58.0 -40.0 44.0 12.9 16.5 65 66 A D H > S+ 0 0 79 -23,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.902 110.7 45.3 -59.1 -42.1 42.6 14.0 19.8 66 67 A D H > S+ 0 0 58 -24,-0.4 4,-1.3 -3,-0.2 3,-0.4 0.890 110.7 53.5 -68.0 -40.3 43.6 10.7 21.3 67 68 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.860 102.8 58.6 -61.8 -36.8 47.0 10.9 19.6 68 69 A K H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 100.0 57.3 -60.9 -35.5 47.5 14.3 21.2 69 70 A K H < S+ 0 0 155 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.914 113.5 38.3 -62.8 -44.3 47.1 12.7 24.6 70 71 A L H < S+ 0 0 86 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.913 133.5 26.1 -68.9 -44.6 50.0 10.3 24.0 71 72 A C >< - 0 0 0 -4,-3.1 3,-1.5 -5,-0.1 -1,-0.3 -0.832 64.6-178.7-128.8 91.6 52.0 13.0 22.2 72 73 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.803 87.2 48.0 -57.3 -35.4 51.2 16.6 23.2 73 74 A D T 3 S+ 0 0 130 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.418 80.3 140.7 -88.1 -1.7 53.7 18.1 20.7 74 75 A L < - 0 0 2 -3,-1.5 2,-0.3 -6,-0.2 -41,-0.2 -0.144 44.5-141.4 -49.7 128.8 52.5 16.0 17.8 75 76 A L E -g 33 0B 54 -43,-2.7 -41,-2.2 -47,-0.1 2,-0.4 -0.747 15.1-152.7 -95.5 143.3 52.4 17.9 14.6 76 77 A L E -g 34 0B 44 -2,-0.3 2,-0.5 -43,-0.2 -41,-0.2 -0.952 14.1-167.0-125.5 132.9 49.5 17.4 12.1 77 78 A A E -g 35 0B 10 -43,-2.4 -41,-2.5 -2,-0.4 2,-0.4 -0.974 24.6-136.7-112.6 127.1 49.2 17.8 8.4 78 79 A Q E -g 36 0B 113 -2,-0.5 -41,-0.2 -43,-0.2 3,-0.1 -0.669 15.7-116.6 -90.3 132.8 45.6 17.7 7.0 79 80 A V - 0 0 7 -43,-3.6 -41,-0.3 -2,-0.4 9,-0.1 -0.398 45.9-100.1 -57.7 137.0 44.6 15.8 3.9 80 81 A R E -J 87 0C 142 7,-0.5 7,-3.1 6,-0.1 2,-0.6 -0.315 32.7-142.6 -62.9 140.2 43.4 18.3 1.4 81 82 A E E +J 86 0C 113 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.937 23.2 174.5-107.6 120.8 39.6 18.6 1.2 82 83 A S E > S-J 85 0C 18 3,-2.9 3,-1.2 -2,-0.6 261,-0.1 -0.991 70.2 -6.4-124.0 128.9 38.2 19.2 -2.3 83 84 A R T 3 S- 0 0 78 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.866 130.9 -54.6 59.3 36.8 34.5 19.2 -3.0 84 85 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.585 122.3 88.0 77.3 10.7 33.7 18.2 0.6 85 86 A K E < S-J 82 0C 15 -3,-1.2 -3,-2.9 254,-0.1 -1,-0.2 -0.971 86.6 -87.4-140.3 155.3 35.9 15.1 0.5 86 87 A A E -J 81 0C 9 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.341 38.9-152.5 -59.4 136.7 39.5 14.1 1.1 87 88 A N E -J 80 0C 10 -7,-3.1 -7,-0.5 1,-0.1 3,-0.2 -0.967 14.0-172.8-115.6 126.8 41.7 14.6 -1.9 88 89 A L > + 0 0 50 -2,-0.5 4,-2.1 1,-0.2 3,-0.4 0.165 49.4 116.3-104.6 18.9 44.7 12.3 -2.3 89 90 A T H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.864 70.5 55.0 -57.7 -44.0 46.2 14.0 -5.4 90 91 A K H > S+ 0 0 71 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 112.0 44.2 -57.9 -41.6 49.4 15.2 -3.7 91 92 A Y H > S+ 0 0 3 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.853 112.3 51.4 -75.3 -35.9 50.3 11.7 -2.6 92 93 A R H X S+ 0 0 72 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 113.2 45.5 -63.1 -45.3 49.4 10.1 -5.9 93 94 A E H X S+ 0 0 99 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.887 112.2 51.0 -66.1 -39.8 51.6 12.6 -7.7 94 95 A A H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.888 107.3 55.0 -62.0 -39.4 54.4 12.1 -5.2 95 96 A S H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.885 102.4 56.4 -59.8 -40.7 54.0 8.4 -5.8 96 97 A V H X S+ 0 0 64 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.877 101.2 57.5 -60.6 -38.9 54.5 9.0 -9.5 97 98 A E H X S+ 0 0 67 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.938 112.5 40.5 -54.6 -49.1 57.8 10.6 -8.8 98 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.917 114.9 50.8 -67.8 -45.8 59.0 7.5 -7.0 99 100 A M H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.897 108.6 51.6 -60.9 -43.1 57.5 5.0 -9.5 100 101 A E H X S+ 0 0 116 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.887 110.1 49.2 -62.9 -41.1 59.1 6.8 -12.5 101 102 A I H >X S+ 0 0 10 -4,-1.5 3,-1.0 -5,-0.3 4,-0.6 0.929 112.4 47.6 -62.8 -46.8 62.5 6.7 -10.9 102 103 A M H >X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 3,-1.1 0.848 101.8 64.8 -63.9 -35.4 62.2 3.0 -10.1 103 104 A S H 3< S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 91.6 66.3 -59.6 -24.6 61.0 2.3 -13.6 104 105 A R H << S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.871 105.8 40.2 -64.5 -38.7 64.4 3.4 -14.9 105 106 A F H << S- 0 0 60 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.874 125.0 -21.3 -81.9 -42.1 66.2 0.4 -13.2 106 107 A A S < S- 0 0 16 -4,-1.5 2,-0.5 16,-0.0 -1,-0.2 -0.963 79.2 -62.7-161.0 173.5 63.8 -2.5 -13.8 107 108 A V E -C 119 0A 62 12,-0.6 12,-1.6 -2,-0.3 2,-0.3 -0.566 59.6-161.9 -69.8 116.8 60.3 -3.8 -14.6 108 109 A I E -C 118 0A 7 -2,-0.5 201,-0.7 10,-0.2 2,-0.5 -0.785 21.1-153.3-113.0 149.4 58.1 -2.7 -11.7 109 110 A E E -Cd 117 309A 12 8,-2.4 8,-2.5 -2,-0.3 2,-1.4 -0.979 22.8-133.2-114.6 121.3 54.7 -3.6 -10.3 110 111 A R E + 0 0 53 199,-2.0 6,-0.2 -2,-0.5 3,-0.1 -0.611 31.1 171.3 -78.0 93.3 52.9 -0.9 -8.4 111 112 A A E - 0 0 41 -2,-1.4 2,-0.3 4,-0.5 5,-0.2 0.838 65.9 -19.4 -72.2 -34.2 51.8 -2.8 -5.3 112 113 A S E > S-C 115 0A 29 3,-2.3 3,-0.5 -3,-0.2 -1,-0.1 -0.911 78.6 -80.6-157.7-177.3 50.5 0.4 -3.6 113 114 A I T 3 S+ 0 0 35 -2,-0.3 -1,-0.0 1,-0.2 3,-0.0 0.847 129.8 30.4 -63.1 -32.9 50.8 4.2 -3.6 114 115 A D T 3 S+ 0 0 21 -101,-0.1 -101,-2.5 -16,-0.1 2,-0.3 0.298 119.9 49.7-114.0 10.3 54.0 4.1 -1.7 115 116 A E E < -AC 12 112A 24 -3,-0.5 -3,-2.3 -103,-0.2 -4,-0.5 -0.998 49.3-179.0-149.5 155.0 55.5 0.8 -2.9 116 117 A A E -A 11 0A 0 -105,-1.5 -105,-2.2 -2,-0.3 2,-0.3 -0.993 24.5-125.4-149.8 145.2 56.4 -1.3 -5.9 117 118 A Y E -AC 10 109A 4 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.663 23.9-159.6 -88.9 148.3 57.9 -4.7 -6.6 118 119 A V E -AC 9 108A 0 -109,-3.2 -109,-3.0 -2,-0.3 2,-0.8 -0.994 13.6-149.1-132.5 129.9 61.0 -5.0 -8.9 119 120 A D E +AC 8 107A 45 -12,-1.6 -12,-0.6 -2,-0.4 4,-0.3 -0.867 21.3 172.3 -96.3 109.0 62.3 -8.0 -10.8 120 121 A L > + 0 0 0 -113,-2.5 4,-2.9 -2,-0.8 5,-0.2 0.228 43.4 109.4-102.6 12.6 66.0 -7.5 -11.0 121 122 A T H > S+ 0 0 26 -114,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.932 84.7 40.6 -55.7 -51.1 66.9 -10.9 -12.4 122 123 A S H > S+ 0 0 102 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.924 115.9 50.5 -63.3 -46.1 67.9 -9.5 -15.8 123 124 A A H > S+ 0 0 29 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.873 108.9 53.6 -59.9 -38.4 69.6 -6.5 -14.4 124 125 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.914 106.3 49.4 -66.2 -44.3 71.6 -8.7 -12.0 125 126 A Q H X S+ 0 0 75 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.916 112.8 48.6 -62.5 -42.0 73.0 -11.0 -14.7 126 127 A E H X S+ 0 0 47 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.904 113.5 46.4 -63.6 -42.6 74.1 -8.0 -16.8 127 128 A R H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.877 110.7 52.6 -68.7 -37.2 75.8 -6.4 -13.7 128 129 A L H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.8 47.2 -62.5 -41.6 77.4 -9.7 -12.8 129 130 A Q H < S+ 0 0 149 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.877 108.5 55.8 -64.0 -40.7 78.8 -9.8 -16.4 130 131 A K H < S+ 0 0 159 -4,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.884 110.7 44.4 -63.4 -43.1 79.9 -6.2 -16.2 131 132 A L S < S- 0 0 37 -4,-2.2 2,-0.5 -5,-0.1 3,-0.3 -0.937 85.5-160.9-104.3 120.3 82.0 -6.8 -13.1 132 133 A Q - 0 0 76 -2,-0.6 -3,-0.1 1,-0.2 45,-0.1 -0.892 66.5 -15.8-113.6 125.3 84.0 -10.0 -13.7 133 134 A G S S+ 0 0 67 -2,-0.5 -1,-0.2 43,-0.3 44,-0.1 0.872 98.7 151.9 55.8 35.6 85.6 -12.1 -10.9 134 135 A Q - 0 0 120 -3,-0.3 -1,-0.2 -6,-0.2 2,-0.2 -0.879 44.7-133.3-107.9 123.8 85.0 -8.9 -8.9 135 136 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 -3,-0.0 -0.488 24.6-118.7 -73.5 141.6 84.5 -9.2 -5.2 136 137 A I - 0 0 29 -2,-0.2 38,-0.1 35,-0.1 2,-0.1 -0.742 26.9-139.0 -90.0 117.6 81.6 -7.1 -3.8 137 138 A S > - 0 0 54 -2,-0.6 3,-1.0 1,-0.1 4,-0.2 -0.348 13.9-127.8 -73.5 151.7 82.7 -4.5 -1.3 138 139 A A G > S+ 0 0 20 1,-0.2 3,-1.9 2,-0.2 -1,-0.1 0.786 107.4 69.8 -66.4 -27.7 80.8 -3.7 1.8 139 140 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.781 90.0 61.0 -61.1 -27.5 80.8 -0.0 0.8 140 141 A L G < S+ 0 0 87 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.598 107.7 46.3 -75.5 -10.7 78.4 -1.0 -2.0 141 142 A L X + 0 0 1 -3,-1.9 3,-0.6 -4,-0.2 -1,-0.3 -0.484 66.0 149.0-129.6 62.3 75.9 -2.1 0.7 142 143 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.800 81.5 30.1 -67.7 -32.0 75.9 0.7 3.2 143 144 A S T 3 S+ 0 0 13 -3,-0.1 88,-2.3 2,-0.0 2,-0.3 0.238 94.7 119.9-112.1 12.1 72.3 0.3 4.3 144 145 A T E < -e 231 0A 0 -3,-0.6 2,-0.4 86,-0.2 88,-0.2 -0.597 42.3-163.1 -88.2 137.6 72.0 -3.5 3.7 145 146 A Y E -e 232 0A 22 86,-2.2 88,-3.4 -2,-0.3 2,-0.7 -0.932 12.0-145.3-112.5 139.8 71.2 -6.1 6.4 146 147 A I E > -e 233 0A 5 -2,-0.4 3,-2.1 3,-0.2 88,-0.1 -0.906 25.4-130.8-104.0 107.7 71.7 -9.8 6.1 147 148 A E T 3 S+ 0 0 57 86,-1.7 88,-0.3 -2,-0.7 95,-0.1 -0.303 91.3 22.3 -59.1 132.6 68.9 -11.6 8.0 148 149 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.1 86,-0.0 0.317 104.1 144.4 92.0 -7.7 70.2 -14.3 10.3 149 150 A L < + 0 0 37 -3,-2.1 -1,-0.3 2,-0.1 17,-0.2 -0.917 35.6 43.2-122.2 150.7 73.6 -12.6 10.5 150 151 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 16,-0.2 0.517 83.4 140.8 -77.1 160.1 75.8 -12.1 12.3 151 152 A Q 0 0 118 -2,-0.2 -2,-0.1 14,-0.1 18,-0.0 -0.745 360.0 360.0-145.8-167.4 75.8 -15.6 13.8 152 153 A G 0 0 107 -2,-0.2 -3,-0.0 -3,-0.0 -1,-0.0 0.595 360.0 360.0 34.5 360.0 78.1 -18.4 15.1 153 ! 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 0.0 154 158 A E > 0 0 119 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 3.3 82.2 -5.6 21.2 155 159 A E G > + 0 0 64 1,-0.3 3,-1.5 2,-0.2 7,-0.4 0.587 360.0 89.4 -67.1 -9.0 80.8 -3.3 18.6 156 160 A T G 3 S+ 0 0 79 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.706 70.5 73.2 -61.2 -20.0 77.9 -5.8 18.5 157 161 A V G < S+ 0 0 122 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.868 91.4 65.5 -61.9 -36.2 76.3 -3.6 21.3 158 162 A Q S <> S- 0 0 135 -3,-1.5 4,-2.2 -4,-0.2 5,-0.2 -0.674 85.4-132.8 -89.5 142.9 75.6 -1.0 18.6 159 163 A K H > S+ 0 0 120 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.894 107.3 51.3 -62.8 -41.6 73.1 -1.8 15.8 160 164 A E H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 109.0 52.2 -63.1 -38.9 75.4 -0.5 13.1 161 165 A G H > S+ 0 0 18 -6,-0.4 4,-2.4 2,-0.2 -5,-0.2 0.924 110.0 48.1 -61.3 -45.1 78.2 -2.7 14.5 162 166 A M H X S+ 0 0 70 -4,-2.2 4,-2.6 -7,-0.4 -2,-0.2 0.906 111.0 51.1 -63.4 -39.5 76.0 -5.7 14.3 163 167 A R H X S+ 0 0 18 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 110.9 48.5 -62.9 -42.6 75.0 -4.8 10.8 164 168 A K H X S+ 0 0 23 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.900 112.5 47.9 -64.3 -41.8 78.6 -4.5 9.8 165 169 A Q H X S+ 0 0 32 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 113.3 47.3 -64.0 -47.4 79.5 -7.8 11.4 166 170 A G H X S+ 0 0 1 -4,-2.6 4,-2.1 -17,-0.2 -2,-0.2 0.925 113.5 48.2 -60.2 -46.5 76.6 -9.6 9.8 167 171 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.910 111.6 49.8 -61.4 -44.3 77.4 -8.1 6.4 168 172 A F H X S+ 0 0 105 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.920 108.8 51.7 -62.8 -44.1 81.0 -9.1 6.7 169 173 A Q H X S+ 0 0 73 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.913 112.8 47.2 -56.6 -43.2 80.2 -12.6 7.6 170 174 A W H X S+ 0 0 16 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.930 113.9 45.3 -64.8 -48.5 78.0 -12.8 4.6 171 175 A L H < S+ 0 0 26 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.904 111.0 51.8 -66.0 -43.9 80.5 -11.3 2.1 172 176 A D H < S+ 0 0 139 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.885 110.4 51.2 -58.0 -39.0 83.4 -13.4 3.3 173 177 A S H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.821 90.6 105.6 -65.7 -33.1 81.2 -16.5 2.8 174 178 A L < - 0 0 19 -4,-1.4 2,-0.7 -3,-0.2 -3,-0.0 -0.170 59.6-151.6 -59.0 139.4 80.3 -15.4 -0.7 175 179 A Q > + 0 0 121 1,-0.1 3,-1.0 3,-0.1 6,-0.2 -0.866 16.9 176.2-112.2 94.7 81.8 -17.2 -3.7 176 180 A I T 3 + 0 0 57 -2,-0.7 -43,-0.3 1,-0.3 -42,-0.2 0.624 68.3 79.1 -76.5 -14.5 82.0 -14.7 -6.5 177 181 A D T 3 S+ 0 0 122 1,-0.1 2,-0.5 -44,-0.1 -1,-0.3 0.465 86.2 73.0 -72.9 1.7 83.8 -17.0 -8.9 178 182 A N < - 0 0 78 -3,-1.0 3,-0.3 1,-0.1 6,-0.1 -0.936 58.3-175.5-122.5 109.1 80.3 -18.6 -9.5 179 183 A L S S+ 0 0 65 -2,-0.5 -1,-0.1 1,-0.2 6,-0.1 0.840 82.1 60.2 -70.1 -35.5 77.8 -16.6 -11.5 180 184 A T S S+ 0 0 68 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.808 74.5 118.0 -60.8 -35.3 75.0 -19.1 -11.0 181 185 A S > - 0 0 24 -3,-0.3 4,-2.0 -6,-0.2 5,-0.1 -0.098 56.4-150.5 -50.2 125.4 74.9 -18.8 -7.2 182 186 A P H > S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 96.4 54.1 -59.5 -43.8 71.6 -17.4 -5.9 183 187 A D H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.915 109.4 47.8 -59.6 -44.9 73.2 -15.8 -2.8 184 188 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 111.5 51.5 -60.2 -42.4 75.6 -13.9 -5.1 185 189 A Q H X S+ 0 0 20 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.908 109.6 48.7 -62.8 -43.0 72.7 -12.9 -7.3 186 190 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.908 110.5 52.7 -60.4 -42.1 70.8 -11.6 -4.2 187 191 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.923 111.0 44.7 -61.7 -47.0 73.9 -9.7 -3.2 188 192 A V H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 111.5 54.5 -63.8 -39.3 74.3 -8.0 -6.5 189 193 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.880 105.9 53.0 -59.2 -38.4 70.5 -7.3 -6.5 190 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.866 104.7 55.1 -64.9 -37.9 71.1 -5.7 -3.1 191 195 A V H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.930 109.3 46.7 -59.8 -46.6 73.8 -3.4 -4.6 192 196 A I H X S+ 0 0 7 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.887 109.1 54.6 -63.4 -40.3 71.4 -2.2 -7.3 193 197 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.878 105.0 54.2 -62.1 -38.2 68.7 -1.6 -4.7 194 198 A E H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.934 112.1 44.5 -56.8 -47.0 71.1 0.5 -2.8 195 199 A E H X S+ 0 0 72 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.894 113.1 50.8 -65.0 -41.8 71.6 2.5 -6.0 196 200 A M H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.898 112.7 45.9 -63.1 -41.5 67.8 2.6 -6.6 197 201 A R H X S+ 0 0 15 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.840 111.1 51.7 -72.2 -35.0 67.2 3.9 -3.1 198 202 A A H X S+ 0 0 58 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.908 110.1 50.2 -65.5 -42.0 69.9 6.5 -3.2 199 203 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.892 110.0 50.9 -62.5 -41.4 68.4 7.7 -6.5 200 204 A I H X>S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 6,-0.7 0.944 114.3 42.5 -61.7 -49.4 65.0 7.9 -4.9 201 205 A E H X5S+ 0 0 77 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 116.3 47.7 -64.8 -46.0 66.2 9.9 -1.9 202 206 A R H <5S+ 0 0 201 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 119.1 39.1 -62.8 -37.8 68.4 12.2 -4.0 203 207 A E H <5S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.735 134.8 17.1 -89.8 -24.2 65.8 13.0 -6.6 204 208 A T H <5S- 0 0 8 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.626 90.2-125.5-118.8 -24.0 62.6 13.2 -4.4 205 209 A G << + 0 0 46 -4,-2.0 2,-0.5 -5,-0.6 -4,-0.2 0.515 68.9 131.2 84.2 6.0 64.0 13.7 -0.8 206 210 A F - 0 0 0 -6,-0.7 -1,-0.3 -183,-0.0 2,-0.3 -0.807 49.9-144.4 -95.6 128.6 61.9 10.7 0.2 207 211 A Q + 0 0 66 -2,-0.5 -193,-2.1 -193,-0.2 2,-0.3 -0.676 24.2 177.4 -89.1 146.5 63.6 7.9 2.2 208 212 A C E -B 13 0A 2 -2,-0.3 2,-0.3 -195,-0.3 -195,-0.3 -0.915 21.6-137.0-142.7 167.3 62.5 4.3 1.7 209 213 A S E -B 12 0A 0 -197,-2.9 -197,-3.1 -2,-0.3 2,-0.3 -0.876 20.1-164.0-124.0 160.2 63.3 0.7 2.7 210 214 A A E -Bf 11 231A 0 20,-1.0 22,-2.7 -2,-0.3 2,-0.4 -0.987 15.4-147.2-146.6 153.0 63.6 -2.4 0.6 211 215 A G E -Bf 10 232A 0 -201,-2.0 -201,-2.0 -2,-0.3 2,-0.5 -0.986 13.0-160.2-119.6 130.8 63.6 -6.2 0.8 212 216 A I E +Bf 9 233A 0 20,-2.4 22,-2.2 -2,-0.4 2,-0.2 -0.950 33.8 124.7-112.6 121.6 65.7 -8.3 -1.6 213 217 A S E S-B 8 0A 0 -205,-3.0 -205,-4.1 -2,-0.5 22,-0.1 -0.846 70.0 -87.7-155.0-170.3 64.8 -11.9 -2.0 214 218 A H S S+ 0 0 3 20,-0.3 -208,-0.5 -207,-0.2 2,-0.3 0.510 104.5 24.2 -90.8 -5.7 63.8 -14.6 -4.6 215 219 A N S > S- 0 0 0 -207,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.963 82.1-103.4-153.1 169.6 60.1 -13.8 -4.5 216 220 A K H > S+ 0 0 2 88,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.905 114.6 50.6 -64.7 -46.1 57.6 -11.1 -3.7 217 221 A V H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 114.7 43.4 -59.1 -47.3 56.4 -12.4 -0.4 218 222 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.871 113.4 51.6 -67.9 -38.1 59.9 -12.8 1.0 219 223 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -209,-0.3 0.930 112.2 46.8 -62.4 -45.7 61.0 -9.4 -0.4 220 224 A K H X S+ 0 0 69 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.923 113.9 46.9 -61.9 -47.6 58.0 -7.7 1.2 221 225 A L H X S+ 0 0 24 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.921 112.6 50.9 -60.1 -45.3 58.6 -9.4 4.6 222 226 A A H >X S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.6 0.880 102.3 60.6 -60.4 -42.0 62.3 -8.6 4.4 223 227 A C H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.3 4,-0.2 0.869 104.1 49.7 -55.2 -40.5 61.6 -4.9 3.7 224 228 A G H >< S+ 0 0 47 -4,-1.2 3,-0.7 -3,-0.4 -1,-0.3 0.722 92.9 78.5 -72.8 -21.5 59.7 -4.5 7.0 225 229 A L H << S+ 0 0 60 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.827 107.6 21.4 -60.8 -37.4 62.5 -6.1 9.1 226 230 A N T << S+ 0 0 17 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.1 0.153 93.5 179.3-125.0 20.7 64.8 -3.1 9.2 227 231 A K < + 0 0 53 -3,-0.7 2,-0.1 -4,-0.2 4,-0.1 -0.314 41.5 57.1 -56.8 149.1 62.6 -0.1 8.5 228 232 A P S S- 0 0 52 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.589 122.6 -18.3-100.5 169.0 63.1 2.8 8.3 229 233 A N S S+ 0 0 36 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.769 110.5 100.8 58.0 31.2 65.7 3.9 5.8 230 234 A R - 0 0 78 -7,-0.2 -20,-1.0 -23,-0.0 2,-0.4 -0.972 59.2-142.7-141.9 155.8 67.3 0.5 5.6 231 235 A Q E -ef 144 210A 0 -88,-2.3 -86,-2.2 -2,-0.3 2,-0.4 -0.960 12.7-154.8-123.0 142.1 67.2 -2.5 3.2 232 236 A T E -ef 145 211A 0 -22,-2.7 -20,-2.4 -2,-0.4 2,-0.7 -0.950 5.9-149.5-122.0 130.8 67.2 -6.2 4.2 233 237 A L E -ef 146 212A 0 -88,-3.4 -86,-1.7 -2,-0.4 2,-0.7 -0.870 11.0-166.1 -97.3 115.7 68.4 -9.2 2.1 234 238 A V - 0 0 0 -22,-2.2 -20,-0.3 -2,-0.7 -12,-0.1 -0.892 12.4-160.6-103.0 107.2 66.5 -12.4 2.9 235 239 A S - 0 0 7 -2,-0.7 4,-0.3 -88,-0.3 3,-0.1 -0.311 28.9-112.0 -77.5 173.2 68.4 -15.3 1.5 236 240 A H S > S+ 0 0 49 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.893 116.7 53.2 -70.4 -40.8 67.0 -18.8 0.8 237 241 A G T 3 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.773 101.3 59.3 -65.9 -28.1 69.1 -20.4 3.5 238 242 A S T 3> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 0.600 83.3 88.2 -77.6 -10.9 67.9 -17.9 6.2 239 243 A V H <> S+ 0 0 4 -3,-1.2 4,-3.8 -4,-0.3 5,-0.3 0.896 79.9 54.1 -59.1 -49.2 64.3 -19.0 5.7 240 244 A P H > S+ 0 0 87 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.933 116.0 38.1 -53.7 -52.4 64.1 -22.0 8.2 241 245 A Q H > S+ 0 0 150 -4,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.903 119.5 49.0 -65.2 -41.9 65.4 -19.9 11.2 242 246 A L H >< S+ 0 0 17 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.933 116.1 41.4 -62.2 -48.4 63.4 -16.8 10.1 243 247 A F H >< S+ 0 0 1 -4,-3.8 29,-2.0 1,-0.2 3,-0.8 0.700 96.8 80.5 -73.9 -20.1 60.2 -18.7 9.6 244 248 A S H 3< S+ 0 0 54 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.845 110.7 20.7 -59.2 -38.6 60.6 -20.8 12.7 245 249 A Q T << S+ 0 0 147 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.228 97.0 120.4-111.2 12.0 59.3 -18.0 15.0 246 250 A M < - 0 0 20 -3,-0.8 25,-2.5 -4,-0.2 26,-0.2 -0.695 65.1-125.9 -85.8 115.0 57.5 -16.1 12.3 247 251 A P B > -K 270 0D 36 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.312 17.6-126.5 -56.8 138.3 53.7 -15.7 13.0 248 252 A I G > S+ 0 0 0 21,-1.5 3,-1.2 1,-0.3 6,-0.2 0.842 106.8 64.6 -58.0 -33.3 51.6 -16.9 10.1 249 253 A R G 3 S+ 0 0 133 1,-0.3 -1,-0.3 20,-0.2 5,-0.2 0.773 89.4 70.4 -61.7 -26.8 49.7 -13.7 9.9 250 254 A K G < S+ 0 0 104 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.846 78.4 88.4 -62.6 -38.2 53.0 -11.9 9.0 251 255 A I S X S- 0 0 1 -3,-1.2 3,-2.3 -4,-0.5 4,-0.1 -0.400 96.3 -94.9 -65.2 138.1 53.1 -13.5 5.5 252 256 A R T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -35,-0.2 -2,-0.1 -0.250 109.4 15.1 -58.9 133.4 51.3 -11.5 2.9 253 257 A S T 3 S+ 0 0 76 -4,-0.1 -1,-0.3 -3,-0.1 3,-0.3 0.297 108.5 84.5 85.9 -7.8 47.8 -12.7 2.3 254 258 A L < + 0 0 1 -3,-2.3 -2,-0.2 -5,-0.2 -3,-0.1 0.203 62.1 94.5-104.0 13.6 47.8 -14.7 5.5 255 259 A G S S+ 0 0 56 -4,-0.1 -1,-0.1 -5,-0.1 -6,-0.1 0.703 85.5 38.9 -77.7 -20.5 46.8 -11.7 7.5 256 260 A G S > S- 0 0 50 -3,-0.3 4,-1.7 -7,-0.0 5,-0.1 0.260 117.7 -36.4-106.1-136.0 43.0 -12.3 7.5 257 261 A K H > S+ 0 0 191 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 128.9 54.0 -62.0 -45.3 40.6 -15.2 7.6 258 262 A L H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.923 109.0 48.9 -58.2 -46.6 42.8 -17.7 5.7 259 263 A G H > S+ 0 0 2 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 112.5 49.7 -58.7 -39.5 45.7 -17.2 8.1 260 264 A A H X S+ 0 0 55 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.909 112.2 45.7 -66.8 -44.5 43.3 -17.6 11.0 261 265 A S H X S+ 0 0 37 -4,-2.9 4,-3.7 2,-0.2 5,-0.4 0.897 110.3 54.8 -66.2 -40.9 41.9 -20.9 9.6 262 266 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.2 6,-0.3 0.940 114.6 40.3 -54.1 -49.3 45.4 -22.1 8.8 263 267 A I H X>S+ 0 0 58 -4,-2.2 4,-1.3 -5,-0.2 5,-0.8 0.913 119.6 46.2 -64.2 -47.7 46.3 -21.5 12.4 264 268 A E H <5S+ 0 0 78 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.863 116.7 40.8 -64.8 -42.2 43.0 -22.8 13.8 265 269 A I H <5S+ 0 0 86 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.874 124.5 35.3 -77.8 -39.0 42.8 -26.0 11.7 266 270 A L H <5S- 0 0 23 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.560 99.4-130.9 -93.7 -12.0 46.4 -27.1 11.9 267 271 A G T <5 + 0 0 67 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.892 62.4 127.2 61.8 43.5 47.1 -25.8 15.6 268 272 A I < - 0 0 6 -5,-0.8 -1,-0.2 -6,-0.3 -2,-0.1 -0.887 46.6-167.1-128.4 156.7 50.3 -24.0 14.7 269 273 A E + 0 0 122 -2,-0.3 -21,-1.5 1,-0.1 2,-0.3 0.607 67.3 63.6-113.1 -20.1 51.6 -20.5 15.2 270 274 A Y B > S-K 247 0D 71 -23,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.821 73.0-128.0-117.8 149.6 54.6 -20.2 12.9 271 275 A M G > S+ 0 0 0 -25,-2.5 3,-1.7 -28,-0.4 4,-0.2 0.872 107.6 60.6 -54.9 -41.1 55.2 -20.4 9.2 272 276 A G G > S+ 0 0 16 -29,-2.0 3,-2.0 1,-0.3 4,-0.2 0.819 90.3 67.5 -59.8 -34.2 57.9 -23.0 9.6 273 277 A E G X S+ 0 0 53 -3,-0.8 3,-1.3 -30,-0.3 4,-0.3 0.694 83.7 76.3 -61.8 -18.1 55.5 -25.5 11.2 274 278 A L G X S+ 0 0 0 -3,-1.7 3,-1.2 -4,-0.4 -1,-0.3 0.739 77.6 74.0 -65.1 -23.2 53.8 -25.7 7.8 275 279 A T G < S+ 0 0 69 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.775 82.0 70.3 -62.1 -24.9 56.6 -28.0 6.5 276 280 A Q G < S+ 0 0 133 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 0.856 87.6 79.1 -60.3 -35.5 55.3 -30.9 8.6 277 281 A F S < S- 0 0 35 -3,-1.2 2,-0.0 -4,-0.3 -3,-0.0 -0.497 81.3-119.2 -89.5 142.3 52.3 -31.3 6.4 278 282 A T > - 0 0 72 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.338 28.9-114.0 -68.4 156.2 52.0 -33.0 3.0 279 283 A E H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.886 119.3 51.9 -58.9 -38.9 50.9 -30.9 0.1 280 284 A S H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 105.7 53.9 -62.6 -45.6 47.8 -33.0 -0.1 281 285 A Q H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.931 111.9 43.4 -55.2 -49.2 47.1 -32.5 3.5 282 286 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.890 113.2 53.1 -64.5 -40.1 47.2 -28.7 3.1 283 287 A Q H X S+ 0 0 48 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 104.5 56.2 -61.6 -39.8 45.2 -28.9 -0.1 284 288 A S H < S+ 0 0 101 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.851 115.9 35.0 -62.1 -39.7 42.4 -30.9 1.6 285 289 A H H < S+ 0 0 103 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.878 135.0 22.7 -81.1 -45.0 41.9 -28.3 4.3 286 290 A F H X S- 0 0 17 -4,-2.6 4,-0.5 1,-0.3 5,-0.2 0.268 108.0-119.5-111.8 8.0 42.5 -25.1 2.3 287 291 A G H X - 0 0 31 -4,-2.2 4,-1.5 -5,-0.2 5,-0.3 -0.096 41.1 -50.7 84.4 178.7 41.8 -26.3 -1.3 288 292 A E H > S+ 0 0 166 3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.845 128.5 31.5 -64.2 -42.5 43.8 -26.6 -4.5 289 293 A K H > S+ 0 0 168 -3,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.919 123.3 43.2 -87.4 -45.7 45.2 -23.1 -4.9 290 294 A N H X S+ 0 0 61 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.884 113.4 52.8 -63.8 -41.9 45.7 -22.0 -1.3 291 295 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 110.7 45.4 -62.4 -46.9 47.1 -25.4 -0.3 292 296 A S H X S+ 0 0 41 -4,-0.9 4,-2.2 -5,-0.3 5,-0.3 0.905 114.3 50.2 -62.9 -42.4 49.8 -25.4 -3.0 293 297 A W H X S+ 0 0 54 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 112.8 45.9 -63.5 -42.7 50.6 -21.8 -2.2 294 298 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.905 110.9 52.7 -66.6 -42.9 51.0 -22.6 1.5 295 299 A Y H < S+ 0 0 66 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.922 118.1 36.2 -59.8 -46.3 53.0 -25.7 0.9 296 300 A A H ><>S+ 0 0 20 -4,-2.2 5,-2.6 -5,-0.2 3,-0.9 0.874 115.1 56.4 -73.2 -38.5 55.5 -23.9 -1.2 297 301 A M H ><5S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.873 99.6 55.5 -67.0 -41.6 55.4 -20.6 0.7 298 302 A C T 3<5S+ 0 0 4 -4,-2.2 -1,-0.3 1,-0.3 -23,-0.2 0.652 106.9 55.4 -65.9 -13.0 56.4 -22.1 4.1 299 303 A R T < 5S- 0 0 76 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.241 126.2-104.6-100.0 9.9 59.4 -23.4 2.3 300 304 A G T < 5S+ 0 0 1 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.683 83.2 127.9 75.4 19.4 60.3 -19.9 1.1 301 305 A I < + 0 0 24 -5,-2.6 2,-0.3 -8,-0.1 -2,-0.2 -0.935 24.2 156.8-116.1 124.4 59.0 -20.7 -2.4 302 306 A E - 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