==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 16-FEB-13 4J9O . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,M.GREGORY,C.BIERTUMPFEL,Y.HUA,F.HANAOKA,W.YANG . 418 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 34.4 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+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 1 1 4 0 1 0 0 1 0 1 0 0 0 0 0 0 1 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 . 3 0 1 1 2 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 3 A T 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.9 -38.5 18.2 -3.5 2 4 A G + 0 0 5 1,-0.1 296,-0.1 295,-0.1 208,-0.1 0.891 360.0 115.0 54.4 44.3 -36.3 21.2 -4.2 3 5 A Q + 0 0 38 1,-0.1 -1,-0.1 294,-0.0 208,-0.0 -0.014 43.4 99.0-124.9 21.9 -33.3 18.9 -4.7 4 6 A D S S+ 0 0 92 206,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.861 79.2 37.2 -78.5 -41.7 -32.9 19.8 -8.4 5 7 A R - 0 0 27 205,-0.3 2,-0.6 2,-0.0 177,-0.0 -0.748 67.1-131.9-116.7 162.4 -30.1 22.4 -8.2 6 8 A V + 0 0 0 -2,-0.3 113,-2.3 175,-0.1 114,-0.8 -0.961 32.7 179.5-110.1 116.8 -26.9 23.0 -6.4 7 9 A V E -AB 118 209A 0 202,-3.1 202,-2.8 -2,-0.6 2,-0.3 -0.966 7.8-168.1-124.7 135.0 -26.7 26.6 -5.1 8 10 A A E -AB 117 208A 0 109,-2.0 109,-2.6 -2,-0.4 2,-0.4 -0.869 11.0-157.8-119.1 150.3 -24.0 28.4 -3.1 9 11 A L E -AB 116 207A 2 198,-2.4 198,-2.0 -2,-0.3 2,-0.5 -0.972 12.4-166.5-127.0 116.5 -23.8 31.7 -1.2 10 12 A V E -AB 115 206A 1 105,-2.2 105,-1.4 -2,-0.4 2,-0.4 -0.891 7.6-178.5-106.6 128.0 -20.2 33.1 -0.6 11 13 A D E -AB 114 205A 25 194,-3.0 194,-2.5 -2,-0.5 103,-0.2 -0.974 25.4-123.4-135.9 120.8 -19.8 35.9 1.9 12 14 A M E > - B 0 204A 3 101,-2.4 3,-0.7 -2,-0.4 2,-0.4 -0.300 30.1-113.8 -63.3 136.1 -16.6 37.7 2.8 13 15 A D T 3 S- 0 0 4 190,-1.4 5,-0.3 1,-0.2 190,-0.2 -0.627 87.5 -27.3 -73.2 124.1 -15.6 37.7 6.4 14 16 A C T >> S- 0 0 22 -2,-0.4 4,-1.7 3,-0.1 3,-1.5 0.777 84.3-168.7 32.2 53.5 -15.7 41.3 7.8 15 17 A F H <> S+ 0 0 9 -3,-0.7 4,-2.2 1,-0.3 5,-0.2 0.721 73.9 46.8 -42.3 -57.0 -15.0 42.5 4.3 16 18 A F H 3> S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.850 114.8 50.8 -60.0 -33.0 -14.2 46.2 4.8 17 19 A V H <> S+ 0 0 0 -3,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.927 108.3 49.7 -67.9 -48.6 -11.9 45.3 7.7 18 20 A Q H X S+ 0 0 19 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.873 107.5 56.9 -55.1 -40.4 -10.0 42.6 5.6 19 21 A V H X S+ 0 0 5 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.880 113.0 39.4 -60.9 -39.6 -9.6 45.3 2.9 20 22 A E H X S+ 0 0 14 -4,-1.3 4,-3.0 -3,-0.2 -2,-0.2 0.883 114.1 53.3 -78.4 -39.9 -7.8 47.6 5.4 21 23 A Q H < S+ 0 0 25 -4,-3.1 7,-0.3 2,-0.2 -2,-0.2 0.855 107.0 52.5 -64.2 -35.8 -5.9 44.9 7.1 22 24 A R H < S+ 0 0 92 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.945 115.6 40.8 -62.6 -45.4 -4.5 43.7 3.8 23 25 A Q H < S+ 0 0 122 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.836 123.1 40.5 -75.0 -37.4 -3.3 47.2 3.0 24 26 A N >< - 0 0 58 -4,-3.0 3,-2.3 1,-0.1 4,-0.3 -0.794 68.5-165.0-113.5 98.0 -2.1 47.9 6.5 25 27 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.658 83.0 70.2 -49.0 -27.8 -0.3 44.9 8.1 26 28 A H G 3 S+ 0 0 131 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.811 93.1 56.0 -63.6 -30.3 -0.6 46.4 11.6 27 29 A L G X S+ 0 0 16 -3,-2.3 3,-1.0 -7,-0.2 -1,-0.2 0.525 83.7 112.7 -83.7 -6.1 -4.3 45.9 11.7 28 30 A R T < S+ 0 0 111 -3,-1.1 -10,-0.0 -4,-0.3 -6,-0.0 -0.467 84.8 2.8 -72.0 137.6 -4.0 42.2 11.0 29 31 A N T 3 S+ 0 0 143 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.732 110.2 105.7 62.0 27.9 -4.9 39.7 13.8 30 32 A K S < S- 0 0 101 -3,-1.0 22,-0.3 44,-0.0 2,-0.3 -0.933 87.4 -84.1-133.6 153.3 -6.0 42.5 16.1 31 33 A P + 0 0 25 0, 0.0 43,-2.4 0, 0.0 2,-0.4 -0.457 64.8 173.2 -59.9 123.4 -9.4 43.8 17.3 32 34 A C E -g 74 0B 0 -2,-0.3 17,-3.9 41,-0.2 2,-0.3 -0.995 22.9-179.5-146.4 137.6 -10.3 46.1 14.4 33 35 A A E -gH 75 48B 0 41,-2.2 43,-2.3 -2,-0.4 2,-0.5 -0.944 21.6-136.2-132.7 155.9 -13.2 48.2 13.2 34 36 A V E -gH 76 47B 0 13,-2.6 12,-2.6 -2,-0.3 13,-1.1 -0.968 30.7-179.9-112.4 126.3 -13.8 50.4 10.2 35 37 A V E -gH 77 45B 0 41,-3.3 43,-2.3 -2,-0.5 2,-0.3 -0.769 16.6-152.2-122.0 167.5 -15.5 53.8 10.9 36 38 A Q E S+ H 0 44B 55 8,-1.1 8,-2.2 -2,-0.3 43,-0.1 -0.990 70.3 20.5-139.7 144.3 -16.7 56.8 9.0 37 39 A Y > - 0 0 79 -2,-0.3 3,-0.9 41,-0.3 6,-0.3 0.977 61.5-170.1 63.1 70.0 -17.1 60.5 10.0 38 40 A K T 3> + 0 0 86 1,-0.2 4,-1.1 4,-0.2 5,-0.2 0.641 68.2 79.1 -63.3 -23.9 -14.8 60.7 13.1 39 41 A S T 34 S+ 0 0 134 3,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.866 87.1 58.0 -60.7 -40.5 -15.9 64.1 14.3 40 42 A W T X4 S- 0 0 161 -3,-0.9 3,-1.7 1,-0.2 -1,-0.2 -0.843 135.1 -29.0 -99.5 112.7 -19.1 63.0 15.9 41 43 A K T 34 S- 0 0 94 -2,-0.7 23,-2.3 1,-0.3 22,-0.5 0.765 114.6 -62.1 53.6 35.3 -18.5 60.4 18.6 42 44 A G T 3< S- 0 0 4 -4,-1.1 -1,-0.3 21,-0.2 -4,-0.2 0.489 99.0 -76.2 75.2 0.9 -15.4 59.0 17.0 43 45 A G < - 0 0 0 -3,-1.7 20,-2.9 -6,-0.3 2,-0.5 -0.167 56.7 -68.7 97.5 168.1 -17.5 58.0 14.0 44 46 A G E -HI 36 62B 17 -8,-2.2 -8,-1.1 18,-0.2 2,-0.3 -0.865 44.2-126.9-104.3 127.8 -19.9 55.2 13.2 45 47 A I E +H 35 0B 2 16,-2.6 15,-3.3 -2,-0.5 16,-0.3 -0.538 33.2 165.4 -74.8 130.7 -18.8 51.6 12.9 46 48 A I E + 0 0 56 -12,-2.6 2,-0.3 1,-0.3 -11,-0.2 0.449 69.0 32.3-118.1 -6.9 -19.7 49.8 9.7 47 49 A A E -H 34 0B 12 -13,-1.1 -13,-2.6 11,-0.1 2,-0.4 -0.945 61.8-169.1-155.5 130.8 -17.4 46.8 9.9 48 50 A V E -H 33 0B 6 -2,-0.3 -15,-0.2 -15,-0.2 -31,-0.1 -0.959 19.6-130.6-124.1 133.2 -16.0 44.9 12.9 49 51 A S > - 0 0 0 -17,-3.9 4,-1.4 -2,-0.4 3,-0.2 -0.427 29.3-114.1 -74.2 157.7 -13.2 42.3 13.0 50 52 A Y H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.899 117.4 56.2 -62.4 -39.3 -13.9 39.0 14.8 51 53 A E H 4 S+ 0 0 78 1,-0.2 4,-0.4 -21,-0.2 3,-0.4 0.897 108.1 49.0 -55.2 -41.7 -11.3 39.8 17.5 52 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 -20,-0.2 3,-0.7 0.769 103.4 61.4 -70.4 -25.0 -13.2 43.0 18.2 53 55 A R H ><5S+ 0 0 107 -4,-1.4 3,-1.4 -3,-0.3 -1,-0.2 0.780 89.4 69.6 -71.8 -27.0 -16.5 41.1 18.3 54 56 A A T 3<5S+ 0 0 89 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.798 100.3 48.8 -56.9 -30.3 -15.2 39.1 21.3 55 57 A F T < 5S- 0 0 104 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.495 126.3-102.8 -88.6 -6.7 -15.5 42.4 23.2 56 58 A G T < 5 + 0 0 37 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.552 65.2 156.4 97.3 9.0 -19.0 43.0 22.0 57 59 A V < - 0 0 3 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.504 17.5-179.6 -70.5 132.7 -18.3 45.6 19.4 58 60 A T > - 0 0 73 -2,-0.2 3,-0.6 -11,-0.1 -13,-0.2 -0.908 32.6 -90.7-132.2 160.4 -21.0 45.8 16.7 59 61 A R T 3 S+ 0 0 164 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.322 109.8 36.3 -67.6 151.2 -21.8 47.7 13.5 60 62 A S T 3 S+ 0 0 92 -15,-3.3 2,-0.3 1,-0.3 -1,-0.2 0.799 91.2 124.6 66.5 30.6 -23.9 50.8 14.0 61 63 A M < - 0 0 34 -3,-0.6 -16,-2.6 -16,-0.3 -1,-0.3 -0.809 68.6-107.4-108.0 155.7 -22.1 51.5 17.3 62 64 A W B > -I 44 0B 102 -2,-0.3 4,-2.7 -18,-0.2 -18,-0.2 -0.650 21.8-129.7 -80.1 144.7 -20.3 54.8 18.0 63 65 A A H > S+ 0 0 0 -20,-2.9 4,-2.1 -22,-0.5 -21,-0.2 0.868 110.3 55.6 -62.7 -35.5 -16.5 54.5 18.0 64 66 A D H > S+ 0 0 77 -23,-2.3 4,-0.8 -21,-0.3 -1,-0.2 0.861 110.5 45.6 -62.8 -37.7 -16.4 56.3 21.4 65 67 A D H >> S+ 0 0 57 -24,-0.3 4,-1.4 -3,-0.2 3,-0.8 0.915 109.5 54.3 -69.3 -45.6 -18.8 53.6 22.7 66 68 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.858 102.4 58.7 -55.0 -40.2 -16.8 50.8 21.1 67 69 A K H 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.822 101.0 56.1 -60.9 -33.8 -13.6 52.1 22.8 68 70 A K H << S+ 0 0 148 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.893 113.8 38.7 -64.4 -42.1 -15.4 51.6 26.2 69 71 A L H < S+ 0 0 82 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.855 131.6 29.5 -72.1 -36.2 -16.0 47.9 25.4 70 72 A C >< - 0 0 0 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.782 62.5-179.7-135.1 87.5 -12.6 47.5 23.8 71 73 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.825 85.9 48.7 -55.8 -38.5 -9.8 49.7 25.0 72 74 A D T 3 S+ 0 0 140 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.147 81.6 141.2 -91.1 19.5 -7.2 48.3 22.6 73 75 A L < - 0 0 3 -3,-1.6 2,-0.4 -6,-0.2 -41,-0.2 -0.421 42.3-145.6 -70.7 126.4 -9.4 48.7 19.5 74 76 A L E -g 32 0B 63 -43,-2.4 -41,-2.2 -2,-0.3 2,-0.4 -0.731 16.0-155.0 -88.7 139.2 -7.8 49.8 16.2 75 77 A L E -g 33 0B 51 -2,-0.4 2,-0.4 -43,-0.2 -41,-0.2 -0.935 10.4-163.8-121.0 137.2 -9.9 51.9 13.9 76 78 A A E -g 34 0B 8 -43,-2.3 -41,-3.3 -2,-0.4 2,-0.3 -0.971 18.1-138.6-118.9 134.2 -9.7 52.5 10.2 77 79 A Q E -g 35 0B 116 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.719 15.6-117.5 -96.4 139.1 -11.5 55.5 8.5 78 80 A V - 0 0 10 -43,-2.3 -41,-0.3 -2,-0.3 9,-0.1 -0.449 43.9 -98.6 -64.2 140.0 -13.4 55.5 5.3 79 81 A R E -J 86 0C 115 7,-0.6 7,-2.2 -2,-0.1 2,-0.6 -0.395 36.2-143.5 -61.3 135.6 -11.9 57.7 2.7 80 82 A E E +J 85 0C 106 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.917 24.0 170.9-109.6 121.2 -13.6 61.1 2.5 81 83 A S E > -J 84 0C 28 3,-2.3 3,-1.6 -2,-0.6 258,-0.1 -0.985 69.0 -3.7-126.5 137.0 -14.0 62.8 -0.9 82 84 A R T 3 S- 0 0 64 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.715 129.5 -57.0 54.8 25.9 -16.0 66.0 -1.5 83 85 A G T 3 S+ 0 0 31 1,-0.3 2,-0.3 252,-0.0 -1,-0.3 0.666 121.0 84.5 83.3 17.1 -17.2 66.1 2.1 84 86 A K E < S-J 81 0C 18 -3,-1.6 -3,-2.3 251,-0.1 -1,-0.3 -0.951 86.6 -82.5-142.5 165.9 -18.7 62.6 2.1 85 87 A A E -J 80 0C 11 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.327 38.5-152.1 -64.5 148.6 -17.7 59.0 2.5 86 88 A N E -J 79 0C 8 -7,-2.2 -7,-0.6 1,-0.1 3,-0.4 -0.971 15.0-174.4-132.1 118.3 -16.2 57.2 -0.5 87 89 A L > + 0 0 47 -2,-0.4 4,-2.0 1,-0.2 3,-0.4 0.173 48.8 117.5 -97.8 16.3 -16.5 53.5 -0.9 88 90 A T H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 73.0 53.3 -54.0 -44.1 -14.3 53.2 -4.0 89 91 A K H > S+ 0 0 41 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.899 111.1 45.6 -60.6 -42.6 -11.7 51.0 -2.3 90 92 A Y H > S+ 0 0 2 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.808 111.4 52.9 -73.1 -31.4 -14.3 48.4 -1.1 91 93 A R H X S+ 0 0 68 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.859 110.6 46.8 -69.6 -37.5 -16.0 48.4 -4.5 92 94 A E H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.904 111.4 51.1 -70.5 -40.6 -12.7 47.6 -6.3 93 95 A A H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.891 108.2 54.3 -60.7 -39.0 -11.9 45.0 -3.7 94 96 A S H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.924 103.4 55.2 -57.8 -47.0 -15.4 43.6 -4.5 95 97 A V H X S+ 0 0 68 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.868 103.3 55.2 -59.1 -38.8 -14.6 43.4 -8.2 96 98 A E H X S+ 0 0 63 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.930 112.8 42.7 -56.6 -48.4 -11.4 41.2 -7.6 97 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.924 112.5 51.2 -66.4 -48.2 -13.5 38.7 -5.7 98 100 A M H X S+ 0 0 3 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.837 108.8 54.0 -59.7 -36.2 -16.5 38.7 -8.1 99 101 A E H X S+ 0 0 112 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.869 107.4 48.2 -65.3 -41.7 -14.0 38.1 -11.0 100 102 A I H >X S+ 0 0 6 -4,-1.5 3,-0.9 1,-0.2 4,-0.6 0.895 110.5 52.4 -65.4 -41.9 -12.4 35.0 -9.4 101 103 A M H >X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.9 0.848 99.8 65.2 -61.7 -34.4 -15.8 33.5 -8.7 102 104 A S H 3< S+ 0 0 46 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.721 91.7 61.7 -62.3 -26.7 -16.9 34.0 -12.3 103 105 A R H << S+ 0 0 145 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.829 106.4 45.4 -71.0 -30.3 -14.3 31.5 -13.6 104 106 A F H << S- 0 0 63 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.904 125.6 -33.0 -80.9 -44.2 -15.9 28.7 -11.7 105 107 A A S < S- 0 0 17 -4,-1.4 2,-0.3 16,-0.0 -1,-0.2 -0.964 76.8 -59.3-167.0 175.0 -19.6 29.2 -12.4 106 108 A V E -C 118 0A 84 12,-0.5 12,-1.7 -2,-0.3 2,-0.3 -0.528 57.4-162.7 -74.1 131.4 -22.4 31.7 -13.1 107 109 A I E -C 117 0A 9 -2,-0.3 198,-1.1 10,-0.2 2,-0.5 -0.855 22.1-147.9-125.8 152.1 -22.9 34.2 -10.3 108 110 A E E -Cd 116 305A 16 8,-2.5 8,-2.7 -2,-0.3 2,-0.9 -0.950 22.4-135.3-118.3 112.0 -25.4 36.6 -8.9 109 111 A R E +C 115 0A 61 196,-2.9 6,-0.3 -2,-0.5 3,-0.1 -0.500 31.1 170.2 -65.1 101.3 -24.0 39.7 -7.1 110 112 A A E - 0 0 44 4,-1.3 2,-0.3 -2,-0.9 5,-0.2 0.784 65.3 -16.9 -88.2 -29.9 -26.3 39.8 -4.0 111 113 A S E > S-C 114 0A 30 3,-2.3 3,-0.7 -3,-0.1 -1,-0.2 -0.914 80.9 -81.7-156.8-177.1 -24.2 42.5 -2.2 112 114 A I T 3 S+ 0 0 39 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.798 129.9 30.9 -65.6 -27.4 -20.8 44.2 -2.3 113 115 A D T 3 S+ 0 0 27 1,-0.1 -101,-2.4 -101,-0.1 2,-0.3 0.235 118.8 52.0-116.1 14.1 -19.3 41.3 -0.3 114 116 A E E < +AC 11 111A 27 -3,-0.7 -3,-2.3 -103,-0.2 -4,-1.3 -0.996 49.0 177.6-153.8 146.5 -21.4 38.3 -1.4 115 117 A A E -AC 10 109A 0 -105,-1.4 -105,-2.2 -2,-0.3 2,-0.3 -0.981 25.8-123.5-141.2 153.3 -22.7 36.5 -4.5 116 118 A Y E -AC 9 108A 5 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.4 -0.707 25.1-156.1 -92.2 152.2 -24.8 33.5 -5.2 117 119 A V E -AC 8 107A 0 -109,-2.6 -109,-2.0 -2,-0.3 2,-0.6 -0.950 12.7-147.2-126.8 145.9 -23.5 30.7 -7.4 118 120 A D E +AC 7 106A 46 -12,-1.7 -12,-0.5 -2,-0.4 4,-0.3 -0.921 22.6 168.5-112.0 107.3 -25.2 28.0 -9.4 119 121 A L > + 0 0 0 -113,-2.3 4,-3.3 -2,-0.6 5,-0.2 0.360 44.9 107.7 -99.1 4.9 -23.1 24.9 -9.4 120 122 A T H > S+ 0 0 33 -114,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.911 86.8 36.3 -49.1 -56.1 -25.7 22.6 -10.9 121 123 A S H > S+ 0 0 88 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 116.3 53.6 -63.9 -47.2 -23.9 22.3 -14.3 122 124 A A H > S+ 0 0 21 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.880 105.7 54.6 -56.6 -42.2 -20.4 22.3 -12.8 123 125 A V H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.917 106.6 51.3 -56.9 -45.9 -21.4 19.4 -10.5 124 126 A Q H X S+ 0 0 72 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.881 109.7 50.0 -59.1 -42.0 -22.5 17.4 -13.5 125 127 A E H X S+ 0 0 123 -4,-1.9 4,-2.0 1,-0.2 3,-0.4 0.948 109.1 50.6 -62.7 -48.0 -19.2 18.0 -15.3 126 128 A R H X S+ 0 0 50 -4,-2.3 4,-3.6 1,-0.2 -1,-0.2 0.864 105.3 57.2 -61.3 -39.1 -17.1 17.0 -12.3 127 129 A L H < S+ 0 0 28 -4,-1.9 -1,-0.2 2,-0.2 4,-0.2 0.891 106.8 47.6 -62.1 -41.7 -19.0 13.7 -11.9 128 130 A Q H >< S+ 0 0 116 -4,-1.4 3,-0.6 -3,-0.4 -1,-0.2 0.924 119.5 39.7 -64.3 -44.5 -18.3 12.5 -15.4 129 131 A K H 3< S+ 0 0 159 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 125.8 38.6 -65.7 -39.1 -14.6 13.4 -15.0 130 132 A L T >< S+ 0 0 31 -4,-3.6 3,-2.0 -5,-0.2 -2,-0.2 0.231 85.8 149.0 -96.8 9.5 -14.7 12.1 -11.5 131 133 A Q T < S+ 0 0 141 -3,-0.6 -3,-0.1 1,-0.3 -4,-0.0 -0.185 70.0 9.5 -58.0 134.0 -16.9 9.2 -12.2 132 134 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -5,-0.0 -4,-0.1 0.563 98.6 124.3 77.7 10.1 -16.3 6.1 -10.0 133 135 A Q < - 0 0 132 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.0 -0.888 58.1-129.6-109.9 126.9 -14.0 8.0 -7.7 134 136 A P - 0 0 113 0, 0.0 2,-0.7 0, 0.0 35,-0.0 -0.352 24.8-114.7 -72.7 156.4 -14.6 8.2 -3.9 135 137 A I - 0 0 24 34,-0.2 2,-0.1 3,-0.0 37,-0.1 -0.797 29.8-145.6 -93.7 114.2 -14.6 11.6 -2.2 136 138 A S > - 0 0 51 -2,-0.7 3,-1.2 1,-0.1 4,-0.2 -0.379 19.7-125.1 -75.6 152.0 -11.7 12.0 0.3 137 139 A A G > S+ 0 0 29 1,-0.2 3,-2.1 2,-0.2 -1,-0.1 0.844 111.7 68.1 -59.4 -34.3 -12.0 13.9 3.5 138 140 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.746 88.6 65.7 -56.2 -26.2 -8.9 15.8 2.2 139 141 A L G < S+ 0 0 72 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.623 105.5 41.9 -74.9 -12.4 -11.2 17.3 -0.5 140 142 A L X + 0 0 3 -3,-2.1 3,-1.5 -4,-0.2 -1,-0.2 -0.417 63.7 159.6-133.4 62.0 -13.2 19.2 2.1 141 143 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.661 81.9 28.9 -63.3 -18.5 -10.8 20.7 4.6 142 144 A S T 3 S+ 0 0 15 2,-0.0 85,-2.5 84,-0.0 2,-0.4 0.095 90.4 123.8-129.8 22.9 -13.2 23.4 5.8 143 145 A T E < -e 227 0A 2 -3,-1.5 2,-0.4 83,-0.2 85,-0.2 -0.744 38.8-165.0 -97.5 130.9 -16.6 21.8 5.3 144 146 A Y E -e 228 0A 26 83,-2.3 85,-2.5 -2,-0.4 2,-0.6 -0.924 12.3-145.0-108.5 135.5 -19.2 21.3 8.1 145 147 A I E > -e 229 0A 10 -2,-0.4 3,-1.8 16,-0.3 2,-0.2 -0.900 22.5-126.8-105.1 115.6 -22.1 19.0 7.6 146 148 A E T 3 S+ 0 0 57 83,-2.1 85,-0.3 -2,-0.6 92,-0.1 -0.405 91.2 19.4 -70.1 126.7 -25.2 20.3 9.3 147 149 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -2,-0.2 83,-0.0 0.232 102.1 144.7 102.1 -9.5 -26.9 17.8 11.7 148 150 A L < + 0 0 43 -3,-1.8 -1,-0.3 2,-0.0 16,-0.2 -0.884 31.8 41.8-119.1 148.7 -23.8 15.7 12.0 149 151 A P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.538 71.1 154.4 -80.5 170.1 -22.2 14.0 13.9 150 152 A Q + 0 0 139 -2,-0.2 -2,-0.0 13,-0.1 17,-0.0 -0.953 41.8 17.1-151.6 162.5 -24.9 12.0 15.8 151 153 A G 0 0 73 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.623 360.0 360.0 83.5-125.5 -25.2 8.7 17.6 152 154 A P 0 0 162 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.052 360.0 360.0 -42.8 360.0 -21.9 7.0 18.8 153 ! 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 0.0 154 160 A T 0 0 88 0, 0.0 6,-0.2 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 -12.2 -15.8 15.6 19.8 155 161 A V + 0 0 142 4,-0.1 2,-0.3 5,-0.0 3,-0.0 0.844 360.0 64.9 -66.1 -34.1 -14.9 18.0 22.6 156 162 A Q S > S- 0 0 100 1,-0.1 4,-1.9 2,-0.0 5,-0.2 -0.677 88.3-128.4 -89.6 146.8 -12.8 20.1 20.2 157 163 A K H > S+ 0 0 126 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.822 110.7 51.4 -67.7 -31.3 -14.7 21.9 17.4 158 164 A E H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.817 107.2 55.4 -72.6 -30.6 -12.4 20.5 14.7 159 165 A G H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 108.2 47.0 -66.5 -42.3 -13.0 17.0 16.2 160 166 A M H X S+ 0 0 83 -4,-1.9 4,-2.2 -6,-0.2 5,-0.2 0.889 111.2 53.6 -63.8 -39.9 -16.8 17.4 15.8 161 167 A R H X S+ 0 0 11 -4,-1.7 4,-2.1 1,-0.2 -16,-0.3 0.951 111.7 42.4 -61.4 -51.1 -16.3 18.7 12.3 162 168 A K H X S+ 0 0 91 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.888 112.6 53.9 -63.7 -41.5 -14.2 15.7 11.1 163 169 A Q H X S+ 0 0 82 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.913 111.9 44.5 -59.9 -46.2 -16.5 13.2 12.8 164 170 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 -16,-0.2 -1,-0.2 0.880 113.4 51.6 -64.7 -38.1 -19.5 14.7 11.1 165 171 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.905 109.4 50.1 -66.9 -41.1 -17.6 14.8 7.8 166 172 A F H X S+ 0 0 96 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.907 109.8 49.7 -62.3 -45.8 -16.6 11.1 8.2 167 173 A Q H X S+ 0 0 51 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.920 114.1 45.5 -60.9 -44.9 -20.2 9.9 8.9 168 174 A W H X S+ 0 0 11 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.919 115.7 45.4 -63.3 -47.3 -21.5 11.8 5.8 169 175 A L H < S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.1 54.7 -65.5 -41.4 -18.7 10.6 3.5 170 176 A D H < S+ 0 0 142 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.6 48.4 -60.9 -34.9 -19.0 7.0 4.8 171 177 A S H < 0 0 38 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.802 360.0 360.0 -73.3 -32.9 -22.7 7.1 3.9 172 178 A L < 0 0 63 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.919 360.0 360.0 -56.2 360.0 -22.2 8.5 0.4 173 ! 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 0.0 174 182 A N 0 0 175 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -56.5 -26.8 5.0 1.5 175 183 A L - 0 0 52 -4,-1.5 5,-0.1 -3,-0.2 -7,-0.0 -0.808 360.0-113.2-101.1 136.7 -26.9 8.8 0.7 176 184 A T > - 0 0 73 -2,-0.4 4,-2.0 3,-0.1 3,-0.4 0.153 24.2 -98.5 -69.5 172.5 -28.9 9.8 -2.3 177 185 A S H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 122.5 52.2 -56.5 -44.1 -28.1 11.4 -5.7 178 186 A P H > S+ 0 0 25 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.805 107.7 52.7 -67.8 -24.1 -29.0 14.9 -4.5 179 187 A D H > S+ 0 0 15 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.904 107.6 51.0 -72.2 -41.6 -26.7 14.5 -1.5 180 188 A L H X S+ 0 0 55 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.874 107.7 54.2 -59.2 -39.9 -23.8 13.5 -3.7 181 189 A Q H X S+ 0 0 27 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.905 106.7 50.0 -64.1 -41.6 -24.3 16.6 -5.8 182 190 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.870 110.2 52.3 -62.7 -38.3 -24.2 18.9 -2.8 183 191 A T H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 112.7 42.4 -63.8 -47.3 -20.9 17.2 -1.8 184 192 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 112.5 55.7 -64.3 -42.0 -19.4 17.8 -5.2 185 193 A G H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.925 110.1 45.9 -52.3 -45.0 -20.9 21.2 -5.1 186 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.845 106.4 57.1 -70.0 -37.2 -19.0 21.8 -1.8 187 195 A V H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.962 108.6 48.6 -56.3 -48.7 -15.7 20.3 -3.1 188 196 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.853 108.2 53.9 -58.4 -37.6 -15.9 23.0 -5.9 189 197 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.885 104.3 54.7 -68.9 -37.5 -16.6 25.7 -3.3 190 198 A E H X S+ 0 0 17 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.913 111.1 46.5 -53.4 -46.8 -13.5 24.6 -1.3 191 199 A E H X S+ 0 0 74 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.930 113.4 47.8 -62.5 -48.9 -11.5 25.1 -4.5 192 200 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.848 112.4 48.7 -63.2 -39.4 -13.1 28.5 -5.3 193 201 A R H X S+ 0 0 17 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.875 109.8 52.0 -69.0 -38.4 -12.6 29.8 -1.7 194 202 A A H X S+ 0 0 56 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.886 108.4 52.6 -63.6 -38.1 -8.9 28.7 -1.8 195 203 A A H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 107.2 52.3 -64.2 -39.1 -8.6 30.6 -5.1 196 204 A I H X>S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 6,-0.7 0.957 112.9 42.5 -63.3 -50.9 -10.0 33.8 -3.5 197 205 A E H X5S+ 0 0 78 -4,-2.0 4,-2.0 4,-0.2 -2,-0.2 0.901 115.5 48.9 -63.6 -43.6 -7.6 33.8 -0.6 198 206 A R H <5S+ 0 0 205 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.7 39.3 -62.8 -40.0 -4.6 32.9 -2.6 199 207 A E H <5S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.684 135.8 14.4 -86.3 -21.4 -5.3 35.6 -5.2 200 208 A T H <5S- 0 0 8 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.556 91.4-120.2-128.3 -19.0 -6.5 38.4 -3.0 201 209 A G << + 0 0 44 -4,-2.0 2,-0.4 -5,-0.5 -4,-0.2 0.495 69.5 134.1 84.5 4.4 -5.5 37.5 0.6 202 210 A F - 0 0 1 -6,-0.7 -1,-0.3 -180,-0.0 2,-0.2 -0.727 43.5-152.0 -94.9 134.7 -9.2 37.6 1.6 203 211 A Q + 0 0 70 -2,-0.4 -190,-1.4 -190,-0.2 2,-0.3 -0.657 21.7 169.7 -96.4 158.5 -10.9 34.9 3.7 204 212 A C E -B 12 0A 2 -192,-0.3 2,-0.3 -2,-0.2 -192,-0.2 -0.987 27.4-123.8-161.8 166.2 -14.6 34.1 3.5 205 213 A S E -B 11 0A 0 -194,-2.5 -194,-3.0 -2,-0.3 2,-0.3 -0.803 23.9-163.9-115.2 159.1 -17.4 31.7 4.4 206 214 A A E -Bf 10 227A 0 20,-1.1 22,-2.6 -2,-0.3 2,-0.4 -0.984 13.8-150.9-144.6 152.5 -19.9 29.8 2.2 207 215 A G E -Bf 9 228A 0 -198,-2.0 -198,-2.4 -2,-0.3 2,-0.5 -0.987 12.8-165.9-121.9 135.2 -23.2 28.0 2.4 208 216 A I E +Bf 8 229A 0 20,-2.7 22,-2.1 -2,-0.4 2,-0.2 -0.983 30.7 119.2-124.6 122.4 -23.9 25.2 -0.0 209 217 A S E S-B 7 0A 0 -202,-2.8 -202,-3.1 -2,-0.5 22,-0.1 -0.781 71.5 -78.9-155.9-161.4 -27.5 23.8 -0.4 210 218 A H S S+ 0 0 2 20,-0.4 -205,-0.3 -204,-0.2 2,-0.2 0.698 105.0 21.0 -89.9 -22.8 -30.3 23.3 -2.9 211 219 A N S > S- 0 0 1 -204,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.835 80.8-102.8-139.1 179.2 -31.6 26.9 -2.9 212 220 A K H > S+ 0 0 4 88,-0.4 4,-1.6 -2,-0.2 5,-0.1 0.816 114.4 52.5 -76.0 -34.0 -30.6 30.5 -2.1 213 221 A V H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 35,-0.2 0.958 115.4 39.8 -66.1 -50.9 -32.4 30.8 1.2 214 222 A L H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.899 114.2 52.6 -65.5 -43.9 -30.9 27.6 2.7 215 223 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -206,-0.3 0.876 111.2 48.8 -61.1 -38.2 -27.4 28.3 1.2 216 224 A K H X S+ 0 0 71 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.931 113.1 45.9 -66.1 -45.8 -27.5 31.8 2.8 217 225 A L H X S+ 0 0 24 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.888 111.7 53.4 -62.4 -40.0 -28.6 30.3 6.1 218 226 A A H X S+ 0 0 0 -4,-3.2 4,-0.5 1,-0.2 3,-0.5 0.847 101.1 59.4 -63.0 -37.9 -25.9 27.7 5.9 219 227 A C H >< S+ 0 0 3 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.859 103.8 52.1 -61.5 -38.7 -23.2 30.2 5.3 220 228 A G H >< S+ 0 0 48 -4,-1.1 3,-0.5 -3,-0.3 -1,-0.2 0.777 91.5 77.2 -62.9 -34.7 -24.0 31.9 8.6 221 229 A L H 3< S+ 0 0 57 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.762 103.2 29.6 -57.0 -34.1 -23.7 28.6 10.6 222 230 A N T S+ 0 0 49 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.910 117.9 55.7 -67.6 -42.9 -32.5 18.4 2.4 233 241 A G T 3 S+ 0 0 60 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.729 100.9 57.6 -65.2 -25.6 -32.6 15.9 5.3 234 242 A S T 3> S+ 0 0 12 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.702 84.2 85.7 -77.8 -17.5 -31.3 18.4 7.9 235 243 A V H <> S+ 0 0 4 -3,-1.1 4,-3.3 -4,-0.4 5,-0.3 0.843 82.9 52.8 -60.5 -42.6 -34.0 20.9 7.3 236 244 A P H > S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.922 116.6 38.4 -62.9 -45.0 -36.7 19.5 9.7 237 245 A Q H > S+ 0 0 145 -4,-0.4 4,-0.7 -3,-0.3 -2,-0.2 0.872 119.4 48.9 -67.6 -39.9 -34.3 19.4 12.7 238 246 A L H < S+ 0 0 19 -4,-2.6 3,-0.4 1,-0.2 -3,-0.2 0.914 115.9 41.7 -66.8 -44.9 -32.7 22.7 11.7 239 247 A F H >< S+ 0 0 2 -4,-3.3 29,-2.2 -5,-0.2 3,-0.6 0.690 99.0 77.1 -71.5 -24.3 -36.0 24.5 11.2 240 248 A S H 3< S+ 0 0 44 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.838 112.5 20.3 -61.6 -37.8 -37.6 23.0 14.3 241 249 A Q T 3< S+ 0 0 144 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.191 99.9 118.1-114.5 12.4 -35.8 25.3 16.7 242 250 A M < - 0 0 26 -3,-0.6 25,-2.9 -4,-0.1 26,-0.3 -0.732 66.1-123.5 -90.1 120.3 -34.9 27.9 14.1 243 251 A P B >> -K 266 0D 35 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.328 15.4-127.9 -62.9 142.2 -36.4 31.4 14.7 244 252 A I G >4 S+ 0 0 2 21,-1.4 3,-1.0 1,-0.3 6,-0.1 0.815 105.1 62.1 -60.7 -37.5 -38.6 32.8 11.9 245 253 A R G 34 S+ 0 0 144 1,-0.2 -1,-0.3 20,-0.2 5,-0.2 0.749 92.5 67.4 -62.1 -27.3 -36.7 36.1 11.7 246 254 A K G <4 S+ 0 0 105 -3,-1.3 -1,-0.2 4,-0.1 -2,-0.2 0.821 80.3 88.3 -63.2 -37.6 -33.5 34.2 10.8 247 255 A I S X< S- 0 0 1 -3,-1.0 3,-2.2 -4,-0.5 4,-0.2 -0.452 96.4 -92.5 -69.6 138.1 -34.8 33.1 7.4 248 256 A R T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -35,-0.2 -2,-0.1 -0.209 109.4 14.5 -61.4 134.3 -34.1 35.6 4.6 249 257 A S T 3 S+ 0 0 74 -4,-0.1 6,-0.3 -3,-0.1 -1,-0.3 0.345 107.9 85.7 81.3 -0.6 -36.9 38.1 3.9 250 258 A L < + 0 0 1 -3,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.333 61.5 94.7-104.4 7.7 -38.6 37.2 7.3 251 259 A G S S+ 0 0 60 -4,-0.2 -1,-0.1 -5,-0.1 -6,-0.1 0.668 86.4 33.6 -73.5 -20.1 -36.4 39.7 9.2 252 260 A G S > S- 0 0 51 -3,-0.2 4,-1.3 -7,-0.0 -2,-0.0 0.303 118.9 -32.5-106.1-131.1 -38.9 42.6 9.1 253 261 A K H > S+ 0 0 189 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.808 125.1 55.6 -65.1 -40.0 -42.7 43.1 9.1 254 262 A L H > S+ 0 0 47 2,-0.2 4,-2.5 -5,-0.2 5,-0.2 0.953 109.4 47.6 -63.0 -51.2 -43.9 39.9 7.3 255 263 A G H > S+ 0 0 2 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.870 111.6 51.8 -55.6 -41.3 -42.0 37.7 9.7 256 264 A A H X S+ 0 0 58 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.909 110.5 47.2 -63.0 -43.1 -43.4 39.6 12.6 257 265 A S H X S+ 0 0 36 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.836 109.5 53.7 -71.4 -32.2 -47.0 39.3 11.3 258 266 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.5 0.949 113.0 44.2 -62.5 -47.3 -46.5 35.6 10.7 259 267 A I H X S+ 0 0 62 -4,-2.3 4,-1.4 3,-0.2 5,-0.4 0.908 118.9 43.1 -59.8 -49.5 -45.4 35.3 14.4 260 268 A E H < S+ 0 0 159 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.872 120.9 37.9 -66.3 -43.4 -48.2 37.4 15.6 261 269 A I H < S+ 0 0 81 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.949 124.3 37.5 -74.8 -52.0 -51.0 36.0 13.5 262 270 A L H < S- 0 0 24 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.776 97.3-134.1 -74.9 -27.3 -50.0 32.3 13.5 263 271 A G < + 0 0 64 -4,-1.4 2,-0.2 -5,-0.5 -3,-0.2 0.808 62.6 120.6 77.6 31.3 -48.8 32.3 17.2 264 272 A I - 0 0 9 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.1 -0.670 47.5-164.4-117.5 172.8 -45.6 30.4 16.4 265 273 A E + 0 0 118 -2,-0.2 -21,-1.4 1,-0.1 2,-0.3 0.496 66.0 66.8-131.6 -13.8 -41.9 31.2 16.9 266 274 A Y B > S-K 243 0D 70 -23,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.875 73.7-127.2-120.3 150.1 -40.0 28.6 14.7 267 275 A M G > S+ 0 0 0 -25,-2.9 3,-1.5 -2,-0.3 -27,-0.2 0.855 108.4 58.9 -59.9 -37.0 -39.8 28.1 11.0 268 276 A G G > S+ 0 0 15 -29,-2.2 3,-2.2 1,-0.3 -1,-0.3 0.829 88.6 72.8 -61.4 -36.4 -40.8 24.4 11.3 269 277 A E G X S+ 0 0 59 -3,-1.0 3,-0.6 -30,-0.3 4,-0.3 0.595 81.2 74.5 -59.0 -11.6 -44.1 25.3 13.0 270 278 A L G X S+ 0 0 0 -3,-1.5 3,-0.7 -4,-0.3 -1,-0.3 0.666 75.6 80.0 -74.5 -18.1 -45.4 26.5 9.6 271 279 A T G < S+ 0 0 66 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.792 82.0 62.5 -61.7 -31.4 -45.8 22.9 8.3 272 280 A Q G < S+ 0 0 132 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.849 89.5 82.3 -66.6 -34.6 -49.1 22.3 10.1 273 281 A F S < S- 0 0 39 -3,-0.7 2,-0.1 -4,-0.3 -3,-0.0 -0.415 81.6-120.7 -73.9 143.8 -50.9 25.0 8.1 274 282 A T > - 0 0 71 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.421 25.2-114.2 -75.3 158.7 -52.3 24.4 4.7 275 283 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.883 117.6 54.6 -61.8 -39.3 -51.1 26.6 1.8 276 284 A S H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 106.6 50.5 -61.0 -44.3 -54.6 28.1 1.5 277 285 A Q H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 112.8 46.8 -56.7 -47.1 -54.6 29.1 5.2 278 286 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.869 111.3 52.0 -65.8 -36.6 -51.2 30.7 4.7 279 287 A Q H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.939 106.5 52.6 -64.8 -46.7 -52.3 32.5 1.5 280 288 A S H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 116.2 40.2 -59.0 -36.5 -55.4 34.0 3.2 281 289 A H H < S+ 0 0 94 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 133.0 17.5 -79.6 -41.3 -53.4 35.4 6.0 282 290 A F H < S- 0 0 17 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.297 115.6 -86.3-121.9 7.0 -50.3 36.7 4.2 283 291 A G X - 0 0 33 -4,-2.6 4,-3.2 -5,-0.2 -1,-0.3 -0.034 38.9 -86.1 100.5 153.9 -51.3 36.8 0.5 284 292 A E H > S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.908 126.1 43.9 -61.7 -48.9 -51.3 34.4 -2.4 285 293 A K H > S+ 0 0 170 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.870 120.2 41.7 -64.1 -41.7 -47.6 35.0 -3.4 286 294 A N H > S+ 0 0 51 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.868 112.0 53.0 -76.6 -41.3 -46.4 34.9 0.2 287 295 A G H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.956 111.0 47.5 -57.8 -51.7 -48.5 32.0 1.4 288 296 A S H X S+ 0 0 43 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.876 114.0 48.6 -55.1 -40.7 -47.3 29.9 -1.5 289 297 A W H X S+ 0 0 60 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.876 113.4 46.4 -70.2 -38.3 -43.7 31.0 -0.6 290 298 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.912 107.2 56.3 -69.9 -44.4 -44.2 30.2 3.0 291 299 A Y H < S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.6 38.1 -57.0 -37.8 -45.8 26.8 2.5 292 300 A A H ><>S+ 0 0 22 -4,-1.3 5,-3.2 -5,-0.2 3,-1.0 0.853 111.0 58.1 -81.4 -37.7 -42.7 25.6 0.4 293 301 A M H ><5S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.830 100.2 55.0 -66.8 -35.8 -40.0 27.3 2.5 294 302 A C T 3<5S+ 0 0 5 -4,-1.8 -1,-0.3 1,-0.3 -23,-0.2 0.600 108.5 51.1 -74.7 -10.8 -40.8 25.6 5.8 295 303 A R T < 5S- 0 0 82 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.207 126.9-106.1-104.2 8.7 -40.4 22.4 3.9 296 304 A G T < 5S+ 0 0 1 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.570 78.1 133.9 82.2 10.9 -37.1 23.6 2.6 297 305 A I < + 0 0 36 -5,-3.2 2,-0.4 -6,-0.1 -1,-0.2 -0.843 20.3 159.5-104.4 118.1 -38.3 24.3 -0.9 298 306 A E - 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