==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 27-MAR-12 4ED6 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKAMURA,Y.ZHAO,W.YANG . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 69.2 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 . 62 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 1 3 0 1 0 0 1 0 1 0 0 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 3 0 2 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 G > 0 0 87 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-131.6 67.2 -34.0 -3.7 2 -1 A P T 3 + 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.493 360.0 49.8 -79.9 -6.9 68.6 -32.8 -7.1 3 0 A H T 3 S+ 0 0 178 2,-0.1 2,-0.8 0, 0.0 0, 0.0 0.315 79.4 112.9-115.0 5.0 65.1 -32.3 -8.5 4 1 A M < - 0 0 135 -3,-0.7 2,-0.1 2,-0.0 0, 0.0 -0.715 64.5-136.9 -85.5 108.5 63.6 -30.3 -5.6 5 2 A A - 0 0 71 -2,-0.8 -2,-0.1 1,-0.1 301,-0.0 -0.384 16.3-168.7 -63.2 141.0 62.9 -26.8 -6.8 6 3 A T - 0 0 54 -2,-0.1 -1,-0.1 299,-0.0 -2,-0.0 0.393 35.0-119.8-117.0 -0.9 63.9 -24.2 -4.3 7 4 A G S S+ 0 0 5 1,-0.1 3,-0.2 299,-0.1 300,-0.2 0.916 73.4 127.3 61.8 45.8 62.3 -21.1 -5.7 8 5 A Q + 0 0 48 1,-0.1 -1,-0.1 298,-0.1 212,-0.1 -0.030 34.2 107.4-116.9 27.1 65.6 -19.2 -6.1 9 6 A D S S+ 0 0 91 210,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.618 76.2 42.6 -82.7 -14.0 64.9 -18.4 -9.8 10 7 A R - 0 0 26 209,-0.3 2,-0.5 -3,-0.2 181,-0.1 -0.891 62.2-141.1-132.9 158.3 64.2 -14.7 -9.2 11 8 A V + 0 0 2 -2,-0.3 113,-2.8 179,-0.0 114,-0.6 -0.971 34.1 174.3-117.2 115.9 65.3 -11.6 -7.4 12 9 A V E -AB 123 218A 0 206,-2.8 206,-2.3 -2,-0.5 2,-0.3 -0.932 13.1-160.6-126.3 142.7 62.3 -9.5 -6.2 13 10 A A E -AB 122 217A 0 109,-2.6 109,-2.7 -2,-0.4 2,-0.5 -0.925 9.5-154.7-124.2 147.5 62.1 -6.4 -4.1 14 11 A L E -AB 121 216A 1 202,-2.0 202,-2.1 -2,-0.3 2,-0.5 -0.982 16.4-166.9-117.9 119.3 59.3 -4.8 -2.1 15 12 A V E -AB 120 215A 3 105,-2.5 105,-1.6 -2,-0.5 2,-0.5 -0.916 4.8-174.8-110.3 128.6 59.7 -1.0 -1.5 16 13 A D E -AB 119 214A 20 198,-2.6 198,-2.7 -2,-0.5 2,-0.3 -0.974 24.2-130.7-125.3 121.4 57.6 0.9 1.0 17 14 A M E > - B 0 213A 6 101,-2.7 3,-0.9 -2,-0.5 196,-0.2 -0.521 36.8-111.8 -63.2 126.4 57.6 4.6 1.4 18 15 A D T 3 S- 0 0 5 194,-1.2 5,-0.4 -2,-0.3 194,-0.2 -0.457 85.6 -27.8 -62.2 129.5 58.0 5.3 5.2 19 16 A C T >> S- 0 0 18 -2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.797 85.0-167.4 25.4 61.0 54.8 6.9 6.5 20 17 A F H <> S+ 0 0 2 -3,-0.9 4,-2.5 1,-0.3 5,-0.2 0.836 74.6 49.5 -48.1 -57.9 54.3 8.2 3.0 21 18 A F H 3> S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.887 112.5 51.0 -51.1 -42.6 51.5 10.8 3.6 22 19 A V H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.925 108.8 50.3 -61.9 -46.5 53.5 12.2 6.5 23 20 A Q H X S+ 0 0 23 -4,-1.9 4,-2.3 -5,-0.4 -2,-0.2 0.888 108.1 53.4 -59.2 -41.7 56.7 12.6 4.4 24 21 A V H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.930 111.9 44.5 -60.6 -44.7 54.7 14.4 1.6 25 22 A E H X S+ 0 0 11 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.845 113.5 51.8 -67.2 -33.1 53.4 16.9 4.1 26 23 A Q H < S+ 0 0 24 -4,-2.2 7,-0.3 2,-0.2 6,-0.2 0.800 105.2 54.2 -75.0 -31.2 56.8 17.3 5.7 27 24 A R H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.939 114.4 42.2 -64.4 -43.8 58.5 17.9 2.4 28 25 A Q H < S+ 0 0 127 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.774 123.1 38.5 -74.1 -29.7 56.1 20.7 1.8 29 26 A N >< - 0 0 58 -4,-1.7 3,-2.7 -5,-0.1 4,-0.4 -0.796 64.7-169.9-128.1 91.7 56.2 22.1 5.4 30 27 A P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.740 81.6 74.3 -50.9 -28.3 59.8 22.0 6.9 31 28 A H G 3 S+ 0 0 150 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.704 95.7 51.1 -59.3 -19.4 58.3 22.8 10.3 32 29 A L G X S+ 0 0 15 -3,-2.7 3,-1.1 -6,-0.2 -1,-0.3 0.626 84.2 115.5 -93.0 -16.3 57.0 19.3 10.5 33 30 A R T < S+ 0 0 110 -3,-1.4 -10,-0.0 -4,-0.4 -6,-0.0 -0.228 83.5 4.6 -61.7 142.5 60.3 17.6 9.6 34 31 A N T 3 S+ 0 0 140 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.796 109.0 110.1 54.3 34.9 62.0 15.4 12.3 35 32 A K S < S- 0 0 98 -3,-1.1 2,-0.7 44,-0.0 22,-0.3 -0.915 84.4 -90.3-131.2 158.7 59.0 15.8 14.6 36 33 A P + 0 0 27 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.633 67.8 154.8 -66.2 114.4 56.2 13.6 16.0 37 34 A C E -g 79 0B 0 -2,-0.7 17,-2.8 41,-0.2 2,-0.3 -0.972 26.0-170.4-143.7 155.7 53.6 14.3 13.3 38 35 A A E -gH 80 53B 0 41,-2.0 43,-2.2 -2,-0.3 2,-0.4 -0.963 22.7-125.3-143.2 156.5 50.5 12.6 11.8 39 36 A V E -gH 81 52B 0 13,-1.7 12,-2.2 -2,-0.3 13,-1.2 -0.889 33.4-178.8-100.5 139.9 48.2 13.1 8.9 40 37 A V E -gH 82 50B 0 41,-2.7 43,-2.4 -2,-0.4 2,-0.4 -0.950 19.9-141.1-134.0 151.3 44.5 13.3 9.7 41 38 A Q E - H 0 49B 57 8,-2.2 8,-1.7 -2,-0.3 43,-0.1 -0.974 69.5 -2.8-118.3 137.7 41.3 13.8 7.7 42 39 A Y - 0 0 74 -2,-0.4 41,-0.1 41,-0.4 47,-0.0 0.016 59.0-148.9 68.3 173.3 38.4 15.9 8.9 43 40 A K S > S+ 0 0 82 5,-0.1 4,-1.1 39,-0.1 5,-0.1 0.506 72.0 77.9-147.7 -26.5 38.5 17.6 12.4 44 41 A S T 4 S+ 0 0 125 3,-0.2 2,-1.0 2,-0.2 3,-0.4 0.946 82.5 66.3 -67.3 -54.1 35.1 17.9 13.9 45 42 A W T >4 S- 0 0 181 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 -0.620 135.5 -36.4 -74.1 101.8 34.5 14.4 15.2 46 43 A K T 34 S- 0 0 103 -2,-1.0 23,-2.4 1,-0.3 24,-0.4 0.787 115.6 -55.4 55.7 35.1 37.1 13.9 17.9 47 44 A G T 3< S- 0 0 7 -4,-1.1 -1,-0.3 -3,-0.4 -3,-0.2 0.397 100.2 -74.2 84.5 -3.2 39.8 15.9 16.2 48 45 A G < - 0 0 2 -3,-2.2 20,-3.2 -5,-0.1 2,-0.3 -0.070 60.1 -69.7 96.3 159.8 39.6 13.8 13.0 49 46 A G E -HI 41 67B 19 -8,-1.7 -8,-2.2 18,-0.2 2,-0.4 -0.697 42.0-128.4 -92.4 140.2 40.9 10.4 12.2 50 47 A I E +H 40 0B 2 16,-2.7 15,-2.4 -2,-0.3 16,-0.5 -0.718 30.5 167.3 -89.6 130.8 44.6 9.5 11.8 51 48 A I E + 0 0 52 -12,-2.2 2,-0.3 -2,-0.4 13,-0.2 0.551 65.9 25.8-118.4 -13.8 45.7 7.8 8.7 52 49 A A E -H 39 0B 11 -13,-1.2 -13,-1.7 11,-0.1 2,-0.4 -0.992 61.2-164.7-150.3 151.5 49.5 8.1 8.8 53 50 A V E -H 38 0B 4 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.990 19.3-127.6-143.9 128.8 52.1 8.5 11.6 54 51 A S > - 0 0 1 -17,-2.8 4,-1.6 -2,-0.4 3,-0.1 -0.273 32.4-114.3 -64.8 159.3 55.8 9.6 11.7 55 52 A Y H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.785 116.5 58.9 -70.9 -26.0 58.1 7.2 13.5 56 53 A E H 4 S+ 0 0 80 -21,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.903 109.8 44.9 -64.1 -39.6 58.8 9.8 16.2 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.5 -20,-0.3 3,-1.2 0.806 104.6 61.4 -75.2 -31.1 55.1 9.8 16.9 58 55 A R H ><5S+ 0 0 105 -4,-1.6 3,-2.3 1,-0.3 -1,-0.2 0.851 92.9 65.3 -64.7 -34.1 54.8 6.0 16.9 59 56 A A T 3<5S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.731 99.1 54.7 -59.0 -23.3 57.2 5.8 19.8 60 57 A F T < 5S- 0 0 109 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.456 126.3-102.8 -88.0 -3.4 54.5 7.6 21.7 61 58 A G T < 5 + 0 0 37 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.523 68.6 152.8 93.9 6.8 51.9 4.9 20.8 62 59 A V < + 0 0 3 -5,-1.5 -1,-0.3 -8,-0.1 2,-0.3 -0.544 18.3 173.6 -70.2 130.7 50.1 7.0 18.1 63 60 A T > - 0 0 68 -2,-0.3 3,-0.6 -11,-0.1 -13,-0.2 -0.844 35.1 -95.4-131.2 167.2 48.6 4.7 15.5 64 61 A R T 3 S+ 0 0 169 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.362 108.1 43.5 -74.6 168.3 46.3 5.0 12.4 65 62 A S T 3 S+ 0 0 101 -15,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.662 93.7 124.4 66.3 15.0 42.6 4.4 13.0 66 63 A M < - 0 0 35 -3,-0.6 -16,-2.7 -16,-0.5 2,-0.4 -0.798 69.1-113.6-105.4 147.8 43.1 6.5 16.1 67 64 A W B >> -I 49 0B 95 -2,-0.3 4,-2.3 -18,-0.2 3,-1.0 -0.664 21.2-131.9 -78.7 134.3 41.2 9.7 16.9 68 65 A A H 3> S+ 0 0 2 -20,-3.2 4,-1.9 -2,-0.4 -21,-0.2 0.865 107.5 58.2 -55.2 -38.8 43.4 12.8 16.8 69 66 A D H 34 S+ 0 0 84 -23,-2.4 4,-0.5 -21,-0.3 -1,-0.3 0.863 110.2 44.1 -58.4 -35.7 42.0 13.9 20.2 70 67 A D H X> S+ 0 0 58 -3,-1.0 4,-1.2 -24,-0.4 3,-0.8 0.866 107.8 55.7 -79.4 -39.0 43.2 10.6 21.7 71 68 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.856 102.8 59.5 -58.6 -34.8 46.6 10.6 20.0 72 69 A K H 3< S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.749 98.8 57.0 -66.9 -26.5 47.1 14.0 21.6 73 70 A K H <4 S+ 0 0 157 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.849 113.2 39.8 -71.5 -36.2 46.6 12.4 25.1 74 71 A L H < S+ 0 0 85 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.811 133.5 23.5 -77.2 -33.2 49.5 10.0 24.3 75 72 A C >< - 0 0 2 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 -0.726 64.3-178.2-142.3 85.3 51.6 12.7 22.6 76 73 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.745 85.5 50.2 -59.2 -30.4 50.8 16.3 23.6 77 74 A D T 3 S+ 0 0 135 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.394 79.6 137.5 -91.3 3.9 53.3 17.9 21.2 78 75 A L < - 0 0 2 -3,-1.9 2,-0.3 -7,-0.1 -41,-0.2 -0.235 45.2-144.9 -51.1 126.7 52.1 15.9 18.2 79 76 A L E -g 37 0B 64 -43,-2.7 -41,-2.0 -47,-0.1 2,-0.4 -0.744 13.9-153.7 -95.4 148.4 51.8 18.0 15.1 80 77 A L E -g 38 0B 48 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.961 13.4-165.5-127.5 139.4 49.0 17.3 12.6 81 78 A A E -g 39 0B 10 -43,-2.2 -41,-2.7 -2,-0.4 2,-0.3 -0.982 22.1-137.4-118.8 135.4 48.5 17.9 8.8 82 79 A Q E -g 40 0B 98 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.2 -0.706 16.7-115.6 -94.7 141.0 45.0 17.7 7.3 83 80 A V - 0 0 3 -43,-2.4 -41,-0.4 -2,-0.3 9,-0.1 -0.527 45.1-100.6 -66.7 135.7 44.1 16.0 4.1 84 81 A R - 0 0 136 7,-0.4 7,-3.0 -2,-0.2 2,-0.5 -0.316 35.0-142.6 -57.2 137.9 42.8 18.6 1.7 85 82 A E E +J 90 0C 98 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.927 22.9 173.3-108.5 129.6 39.0 18.7 1.4 86 83 A S E > -J 89 0C 19 3,-3.0 3,-1.6 -2,-0.5 262,-0.1 -1.000 67.8 -0.6-135.4 136.7 37.3 19.3 -2.0 87 84 A R T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.823 132.0 -56.0 56.5 32.0 33.6 19.2 -2.8 88 85 A G T 3 S+ 0 0 39 1,-0.2 2,-0.3 256,-0.0 -1,-0.3 0.593 121.7 86.1 80.7 11.8 32.9 18.3 0.8 89 86 A K E < S-J 86 0C 9 -3,-1.6 -3,-3.0 255,-0.1 -1,-0.2 -0.923 86.8 -81.5-140.7 163.9 35.2 15.3 0.9 90 87 A A E -J 85 0C 13 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.457 40.1-158.5 -64.1 132.3 38.7 14.1 1.4 91 88 A N - 0 0 2 -7,-3.0 -7,-0.4 -2,-0.2 3,-0.4 -0.965 12.4-173.8-118.9 118.9 40.9 14.6 -1.8 92 89 A L >> + 0 0 44 -2,-0.5 4,-1.9 1,-0.2 3,-0.8 0.208 47.7 117.0 -99.0 17.5 44.0 12.5 -2.1 93 90 A T H 3> + 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.854 69.9 58.9 -54.0 -42.8 45.5 14.1 -5.2 94 91 A K H 3> S+ 0 0 64 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.882 110.6 42.4 -56.9 -39.2 48.6 15.5 -3.5 95 92 A Y H <> S+ 0 0 2 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.836 111.8 53.7 -80.3 -32.7 49.7 11.9 -2.5 96 93 A R H X S+ 0 0 72 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.897 111.5 46.0 -65.3 -41.6 48.7 10.3 -5.8 97 94 A E H X S+ 0 0 108 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.911 111.8 51.8 -66.3 -42.5 50.9 12.8 -7.7 98 95 A A H X S+ 0 0 3 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.867 105.4 56.4 -59.8 -37.9 53.7 12.3 -5.2 99 96 A S H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 3,-0.2 0.886 102.7 54.1 -63.7 -39.8 53.5 8.6 -5.7 100 97 A V H X S+ 0 0 70 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.881 100.9 60.5 -62.6 -38.4 54.0 9.0 -9.5 101 98 A E H X S+ 0 0 65 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.910 113.3 38.0 -49.0 -44.6 57.2 10.9 -8.7 102 99 A V H >X S+ 0 0 4 -4,-1.3 4,-2.3 -3,-0.2 3,-0.9 0.934 112.7 53.3 -78.2 -48.2 58.5 7.8 -7.0 103 100 A M H 3X S+ 0 0 7 -4,-3.0 4,-1.7 1,-0.3 -2,-0.2 0.829 107.1 54.3 -56.8 -34.6 57.1 5.1 -9.3 104 101 A E H 3< S+ 0 0 110 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.3 0.761 108.8 47.4 -75.2 -25.1 58.7 6.8 -12.3 105 102 A I H XX S+ 0 0 10 -3,-0.9 3,-1.1 -4,-0.6 4,-0.6 0.871 110.0 52.2 -79.6 -40.7 62.2 6.8 -10.7 106 103 A M H >X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 3,-1.3 0.882 101.7 62.6 -60.0 -37.5 61.8 3.1 -9.7 107 104 A S H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.702 90.7 66.7 -64.4 -21.2 61.0 2.4 -13.3 108 105 A R H <4 S+ 0 0 144 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.822 109.1 36.5 -69.4 -29.4 64.4 3.5 -14.4 109 106 A F H << S- 0 0 65 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.919 128.3 -19.5 -89.1 -51.1 66.1 0.7 -12.6 110 107 A A S < S- 0 0 15 -4,-1.8 2,-0.4 17,-0.0 -1,-0.2 -0.846 78.5 -69.7-147.2-179.4 63.7 -2.3 -13.1 111 108 A V E -C 123 0A 76 12,-0.8 12,-2.3 -2,-0.3 2,-0.3 -0.686 52.4-159.8 -80.7 128.1 60.2 -3.3 -13.9 112 109 A I E -C 122 0A 6 -2,-0.4 202,-0.9 10,-0.2 2,-0.5 -0.834 18.5-152.4-115.0 148.6 57.7 -2.4 -11.1 113 110 A E E -Cd 121 314A 17 8,-2.5 8,-2.6 -2,-0.3 2,-0.6 -0.970 24.0-134.7-113.1 112.9 54.3 -3.5 -10.0 114 111 A R E +C 120 0A 40 200,-2.9 6,-0.2 -2,-0.5 3,-0.1 -0.559 28.6 173.9 -67.2 113.1 52.3 -0.8 -8.2 115 112 A A - 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0 0 6 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.1 -0.698 44.5-167.7-118.8 171.7 49.7 -24.5 15.1 274 273 A E + 0 0 119 -2,-0.2 -21,-1.8 1,-0.2 2,-0.3 0.601 65.0 61.0-127.0 -33.6 51.0 -20.9 15.6 275 274 A Y B > S-K 252 0D 75 -23,-0.2 3,-1.1 -26,-0.1 4,-0.3 -0.749 76.3-121.8-112.2 152.9 54.1 -20.4 13.5 276 275 A M G > S+ 0 0 0 -25,-2.8 3,-1.5 -2,-0.3 4,-0.2 0.842 108.8 60.4 -58.1 -36.2 54.7 -20.5 9.7 277 276 A G G > S+ 0 0 18 -29,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.790 88.6 70.2 -64.5 -29.7 57.3 -23.3 10.0 278 277 A E G X S+ 0 0 61 -3,-1.1 3,-1.0 -30,-0.3 -1,-0.3 0.659 83.6 75.3 -64.7 -12.7 54.9 -25.7 11.6 279 278 A L G X S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.3 0.792 76.2 75.2 -69.2 -26.8 53.2 -25.9 8.2 280 279 A T G < S+ 0 0 65 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.607 82.2 69.2 -63.8 -12.4 56.0 -28.1 6.8 281 280 A Q G < S+ 0 0 122 -3,-1.0 2,-0.4 -4,-0.2 -1,-0.3 0.580 86.9 81.1 -83.1 -6.8 54.8 -31.1 8.7 282 281 A F S < S- 0 0 35 -3,-1.9 -3,-0.0 -4,-0.1 0, 0.0 -0.835 80.5-123.8-105.4 134.3 51.6 -31.4 6.5 283 282 A T > - 0 0 73 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.290 28.6-110.1 -68.6 158.2 51.5 -32.9 3.1 284 283 A E H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 120.4 53.0 -54.3 -42.6 50.3 -30.9 0.1 285 284 A S H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 106.5 51.3 -62.3 -46.2 47.2 -33.0 -0.0 286 285 A Q H > S+ 0 0 92 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.952 111.3 48.3 -53.3 -50.7 46.4 -32.5 3.7 287 286 A L H >X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.7 0.928 111.8 49.5 -57.6 -45.9 46.7 -28.7 3.2 288 287 A Q H 3X S+ 0 0 46 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.875 104.5 58.9 -60.4 -38.6 44.4 -28.9 0.1 289 288 A S H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 115.5 35.0 -63.8 -27.9 41.8 -30.9 2.0 290 289 A H H << S+ 0 0 87 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.809 132.9 22.1 -93.1 -34.3 41.4 -28.2 4.6 291 290 A F H < S- 0 0 16 -4,-2.2 4,-0.5 1,-0.3 -2,-0.2 0.207 111.2 -94.6-126.9 12.2 41.9 -25.0 2.6 292 291 A G X - 0 0 39 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.3 0.005 45.3 -74.2 87.9 162.3 41.1 -25.8 -1.0 293 292 A E H > S+ 0 0 154 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.882 126.7 43.2 -61.4 -45.4 43.4 -26.8 -3.9 294 293 A K H > S+ 0 0 165 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 118.2 41.0 -69.9 -56.5 44.9 -23.4 -4.6 295 294 A N H > S+ 0 0 55 -4,-0.5 4,-3.2 2,-0.2 5,-0.2 0.877 114.8 55.5 -58.7 -39.2 45.5 -22.3 -1.0 296 295 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 110.7 42.0 -59.0 -54.2 46.7 -25.8 -0.2 297 296 A S H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.897 116.2 50.9 -58.0 -43.5 49.3 -25.8 -2.9 298 297 A W H X S+ 0 0 50 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.925 111.5 46.7 -61.0 -47.2 50.3 -22.2 -2.1 299 298 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.916 108.5 55.2 -63.1 -44.9 50.7 -23.0 1.7 300 299 A Y H < S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.4 35.7 -54.8 -46.9 52.8 -26.1 1.0 301 300 A A H ><>S+ 0 0 27 -4,-1.8 5,-2.5 -5,-0.2 3,-1.0 0.852 114.1 57.7 -74.7 -36.3 55.3 -24.1 -1.1 302 301 A M H ><5S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.888 99.0 55.4 -67.6 -43.0 55.1 -20.9 1.0 303 302 A C T 3<5S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.3 -23,-0.2 0.584 107.4 55.2 -67.7 -6.6 56.1 -22.4 4.3 304 303 A R T < 5S- 0 0 80 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.284 125.9-102.7-104.9 7.1 59.2 -23.6 2.4 305 304 A G T < 5S+ 0 0 1 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.669 82.9 127.3 82.9 18.8 60.1 -20.1 1.2 306 305 A I < + 0 0 21 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.3 -0.930 21.9 151.7-119.0 130.4 58.7 -20.8 -2.3 307 306 A E - 0 0 12 -2,-0.4 -86,-0.1 -300,-0.2 -84,-0.1 -0.965 22.7-166.6-156.0 138.4 56.2 -18.7 -4.2 308 307 A H + 0 0 121 -2,-0.3 -1,-0.1 -88,-0.1 -10,-0.0 0.494 40.1 131.1-111.5 -5.8 55.7 -18.2 -7.9 309 308 A D - 0 0 53 1,-0.1 -88,-0.4 3,-0.0 2,-0.1 -0.272 56.0-129.6 -49.5 127.7 53.3 -15.2 -8.2 310 309 A P - 0 0 70 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.463 12.9-108.6 -85.5 155.2 55.1 -12.9 -10.8 311 310 A V - 0 0 9 -2,-0.1 -188,-0.1 2,-0.0 -200,-0.0 -0.754 43.0-138.3 -77.1 108.9 55.8 -9.2 -10.6 312 311 A K - 0 0 93 -2,-0.9 2,-2.2 1,-0.1 -191,-0.1 -0.537 11.8-120.5 -76.6 134.0 53.3 -7.8 -13.0 313 312 A P + 0 0 113 0, 0.0 2,-0.4 0, 0.0 -200,-0.2 -0.494 68.5 128.1 -73.2 79.3 54.5 -5.1 -15.4 314 313 A R B +d 113 0A 57 -2,-2.2 -200,-2.9 -202,-0.9 -2,-0.1 -0.916 24.5 163.1-144.3 111.2 51.9 -2.5 -14.2 315 314 A Q + 0 0 64 -2,-0.4 -1,-0.1 -202,-0.2 -202,-0.1 0.627 64.7 67.1-102.7 -19.0 52.8 1.0 -13.0 316 315 A L S S- 0 0 58 1,-0.1 -202,-0.1 44,-0.0 0, 0.0 -0.779 90.6-103.7-102.5 147.1 49.4 2.5 -13.3 317 316 A P - 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