==== 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 26-MAR-12 4ED2 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKAMURA,Y.ZHAO,W.YANG . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 67.9 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 . 64 14.9 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 . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 31.9 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 2 1 2 1 1 0 1 0 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 2 0 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 G > 0 0 84 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.3 67.3 -34.2 -3.9 2 -1 A P T 3 + 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.669 360.0 49.2 -68.2 -20.9 68.6 -32.9 -7.3 3 0 A H T 3 S+ 0 0 182 2,-0.1 2,-0.9 0, 0.0 0, 0.0 0.290 81.5 113.8-103.4 7.0 65.1 -32.4 -8.7 4 1 A M < - 0 0 135 -3,-1.1 0, 0.0 2,-0.0 0, 0.0 -0.721 64.8-136.2 -86.9 107.4 63.8 -30.5 -5.7 5 2 A A - 0 0 75 -2,-0.9 -2,-0.1 1,-0.1 299,-0.0 -0.298 16.4-168.7 -60.4 143.9 63.0 -26.9 -6.7 6 3 A T - 0 0 59 297,-0.0 -1,-0.1 298,-0.0 -2,-0.0 0.326 35.5-120.4-121.2 3.8 64.2 -24.3 -4.2 7 4 A G S S+ 0 0 6 1,-0.1 298,-0.2 297,-0.1 3,-0.1 0.898 75.1 124.8 58.4 44.8 62.5 -21.2 -5.4 8 5 A Q + 0 0 44 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.103 33.6 105.1-119.4 21.3 65.8 -19.3 -6.0 9 6 A D S S+ 0 0 93 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.605 76.4 42.5 -79.5 -19.4 65.2 -18.5 -9.7 10 7 A R - 0 0 24 207,-0.3 2,-0.5 -3,-0.1 179,-0.1 -0.866 64.2-138.8-128.6 158.1 64.5 -14.8 -9.3 11 8 A V + 0 0 1 -2,-0.3 113,-2.6 177,-0.1 114,-0.7 -0.990 32.6 177.0-114.4 120.3 65.6 -11.7 -7.4 12 9 A V E -AB 123 216A 0 204,-3.0 204,-2.5 -2,-0.5 2,-0.3 -0.963 9.7-167.7-125.4 137.7 62.6 -9.7 -6.3 13 10 A A E -AB 122 215A 0 109,-2.4 109,-2.3 -2,-0.4 2,-0.5 -0.917 11.1-153.7-121.1 155.1 62.5 -6.5 -4.2 14 11 A L E -AB 121 214A 0 200,-2.1 200,-2.1 -2,-0.3 2,-0.5 -0.994 12.4-164.0-123.1 120.5 59.7 -4.7 -2.4 15 12 A V E -AB 120 213A 1 105,-2.6 105,-1.9 -2,-0.5 2,-0.4 -0.922 9.7-178.9-107.8 129.1 60.3 -0.9 -1.9 16 13 A D E -AB 119 212A 14 196,-2.7 196,-2.7 -2,-0.5 103,-0.2 -0.981 24.9-125.9-134.9 121.0 58.0 0.8 0.6 17 14 A M E > - B 0 211A 5 101,-2.4 3,-0.6 -2,-0.4 194,-0.3 -0.351 31.2-113.7 -66.6 141.9 58.0 4.5 1.5 18 15 A D T 3 S- 0 0 5 192,-2.0 5,-0.4 1,-0.2 192,-0.2 -0.580 85.6 -24.4 -76.8 139.3 58.4 5.3 5.2 19 16 A C T 3> S- 0 0 18 -2,-0.2 4,-2.2 3,-0.1 3,-0.5 0.778 86.1-166.7 24.0 64.9 55.3 6.9 6.8 20 17 A F H <> S+ 0 0 9 -3,-0.6 4,-2.1 1,-0.3 5,-0.2 0.841 72.5 44.1 -57.2 -54.5 54.5 8.1 3.3 21 18 A F H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.863 114.3 54.0 -62.9 -33.6 51.7 10.7 3.7 22 19 A V H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.928 107.5 49.6 -61.9 -46.3 53.7 12.2 6.6 23 20 A Q H X S+ 0 0 20 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.870 108.0 54.0 -60.1 -38.1 56.9 12.6 4.4 24 21 A V H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.937 113.1 43.1 -61.0 -45.1 54.8 14.2 1.7 25 22 A E H X S+ 0 0 13 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.826 113.0 51.9 -70.4 -31.9 53.6 16.8 4.2 26 23 A Q H < S+ 0 0 24 -4,-2.3 7,-0.3 2,-0.2 6,-0.2 0.848 106.3 53.7 -75.7 -33.8 57.1 17.3 5.8 27 24 A R H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.935 114.0 43.0 -59.8 -44.1 58.7 17.9 2.5 28 25 A Q H < S+ 0 0 122 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.842 123.5 36.0 -71.1 -37.8 56.1 20.6 1.9 29 26 A N >< - 0 0 59 -4,-2.0 3,-2.5 -5,-0.1 4,-0.3 -0.858 64.7-168.1-124.5 95.3 56.3 22.1 5.4 30 27 A P G > S+ 0 0 76 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.723 83.2 73.5 -57.6 -22.4 59.8 22.0 6.9 31 28 A H G 3 S+ 0 0 156 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.696 94.8 52.9 -63.4 -20.5 58.3 22.9 10.3 32 29 A L G X S+ 0 0 15 -3,-2.5 3,-1.1 -6,-0.2 -1,-0.3 0.556 84.0 115.9 -90.1 -8.6 57.0 19.4 10.5 33 30 A R T < S+ 0 0 115 -3,-1.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.350 84.1 3.3 -69.6 138.9 60.4 17.7 9.8 34 31 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.817 107.9 115.7 57.8 34.9 61.9 15.6 12.6 35 32 A K S < S- 0 0 100 -3,-1.1 2,-0.6 44,-0.0 22,-0.3 -0.904 80.4 -97.7-125.9 155.8 58.9 16.1 14.8 36 33 A P + 0 0 27 0, 0.0 43,-2.4 0, 0.0 2,-0.3 -0.658 68.2 148.4 -65.8 118.5 56.2 13.8 16.2 37 34 A C E -g 79 0B 4 -2,-0.6 17,-2.9 41,-0.2 2,-0.3 -0.976 29.9-165.8-151.7 166.4 53.5 14.4 13.6 38 35 A A E -gH 80 53B 2 41,-2.0 43,-2.0 -2,-0.3 2,-0.4 -0.965 22.9-120.2-149.1 159.3 50.6 12.7 11.9 39 36 A V E -gH 81 52B 1 13,-2.4 12,-3.0 -2,-0.3 13,-1.2 -0.909 34.3-172.6-106.0 136.7 48.3 13.2 8.9 40 37 A V E -gH 82 50B 0 41,-2.5 43,-2.7 -2,-0.4 2,-0.4 -0.903 17.6-142.4-128.8 150.2 44.6 13.4 9.7 41 38 A Q E S- H 0 49B 61 8,-2.2 8,-2.3 -2,-0.3 43,-0.1 -0.975 70.9 -5.6-117.4 137.6 41.4 13.5 7.7 42 39 A Y - 0 0 73 -2,-0.4 41,-0.1 41,-0.3 47,-0.0 0.021 59.8-150.6 65.8 174.9 38.4 15.7 8.7 43 40 A K S > S+ 0 0 80 5,-0.2 4,-1.2 39,-0.1 5,-0.1 0.490 72.9 78.5-150.4 -29.6 38.6 17.6 12.0 44 41 A S T 4 S+ 0 0 129 3,-0.2 2,-0.9 2,-0.2 3,-0.1 0.871 85.0 65.3 -64.7 -42.2 35.2 18.1 13.5 45 42 A W T >4 S- 0 0 171 1,-0.2 3,-1.8 2,-0.1 -1,-0.1 -0.765 133.6 -34.9 -90.2 103.9 34.7 14.6 14.9 46 43 A K T 34 S- 0 0 96 -2,-0.9 23,-2.6 1,-0.3 24,-0.4 0.733 114.5 -57.6 57.8 30.7 37.3 14.0 17.7 47 44 A G T 3< S- 0 0 6 -4,-1.2 -1,-0.3 21,-0.2 -3,-0.2 0.366 101.0 -68.5 89.2 -3.2 40.0 16.1 16.0 48 45 A G < - 0 0 1 -3,-1.8 20,-2.9 -5,-0.1 2,-0.5 -0.140 60.2 -74.8 103.5 162.9 40.0 14.0 12.8 49 46 A G E -HI 41 67B 13 -8,-2.3 -8,-2.2 18,-0.2 2,-0.3 -0.806 43.5-126.1 -99.7 130.8 41.1 10.4 12.1 50 47 A I E +H 40 0B 2 16,-2.7 15,-2.5 -2,-0.5 -10,-0.3 -0.553 32.3 168.5 -77.4 130.9 44.8 9.7 11.8 51 48 A I E + 0 0 34 -12,-3.0 2,-0.3 1,-0.3 -11,-0.2 0.533 66.9 23.5-117.1 -11.2 45.9 8.0 8.6 52 49 A A E -H 39 0B 2 -13,-1.2 -13,-2.4 11,-0.1 2,-0.4 -0.975 62.7-162.8-155.6 146.3 49.7 8.3 8.9 53 50 A V E -H 38 0B 5 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.994 19.0-126.3-138.6 128.0 52.2 8.7 11.8 54 51 A S > - 0 0 1 -17,-2.9 4,-2.0 -2,-0.4 3,-0.4 -0.333 30.3-114.6 -69.8 155.1 55.8 9.8 11.9 55 52 A Y H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.851 117.6 58.2 -61.3 -32.7 58.3 7.5 13.7 56 53 A E H 4 S+ 0 0 75 -21,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.889 109.0 45.0 -61.5 -40.6 58.8 10.1 16.4 57 54 A A H >4>S+ 0 0 0 -3,-0.4 5,-1.6 -22,-0.3 3,-1.3 0.822 103.8 63.3 -71.9 -32.2 55.1 10.1 17.1 58 55 A R H ><5S+ 0 0 92 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.850 91.8 66.5 -60.4 -31.7 55.0 6.2 17.1 59 56 A A T 3<5S+ 0 0 90 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.760 99.5 50.7 -60.4 -27.2 57.3 6.3 20.1 60 57 A F T < 5S- 0 0 108 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.501 127.3-100.4 -85.4 -7.3 54.5 7.9 22.1 61 58 A G T < 5 + 0 0 34 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.547 68.3 155.0 97.4 10.0 52.1 5.2 21.0 62 59 A V < + 0 0 3 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.543 18.9 176.5 -70.8 132.3 50.3 7.1 18.3 63 60 A T > - 0 0 69 -2,-0.3 3,-1.4 -11,-0.1 -13,-0.2 -0.921 35.3 -86.4-135.1 160.4 48.8 4.9 15.7 64 61 A R T 3 S+ 0 0 157 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.320 111.6 32.2 -56.1 147.7 46.6 4.9 12.5 65 62 A S T 3 S+ 0 0 99 -15,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.275 90.4 124.9 81.9 -9.2 42.9 4.8 13.2 66 63 A M < - 0 0 40 -3,-1.4 -16,-2.7 -16,-0.1 -1,-0.3 -0.549 67.7-115.7 -76.8 143.9 43.3 6.8 16.4 67 64 A W B >> -I 49 0B 92 -18,-0.2 4,-2.6 -2,-0.2 3,-0.8 -0.618 22.1-125.0 -74.9 142.0 41.3 10.0 16.7 68 65 A A H 3> S+ 0 0 1 -20,-2.9 4,-2.4 -2,-0.3 -21,-0.2 0.864 110.5 58.6 -59.6 -35.1 43.6 13.0 16.9 69 66 A D H 34 S+ 0 0 84 -23,-2.6 4,-0.5 -21,-0.3 -1,-0.3 0.880 111.0 42.5 -59.9 -36.3 42.0 14.1 20.2 70 67 A D H X> S+ 0 0 54 -3,-0.8 4,-1.0 -24,-0.4 3,-0.8 0.865 110.2 55.5 -79.4 -36.8 43.0 10.8 21.7 71 68 A A H >X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.6 0.877 101.8 58.9 -59.4 -38.4 46.5 10.8 20.1 72 69 A K H 3< S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 97.3 61.6 -63.5 -24.5 47.1 14.2 21.8 73 70 A K H <4 S+ 0 0 152 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.859 112.0 37.0 -70.0 -33.8 46.5 12.5 25.1 74 71 A L H << S+ 0 0 81 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.796 135.3 23.0 -81.5 -31.5 49.5 10.3 24.4 75 72 A C >< - 0 0 1 -4,-2.0 3,-2.1 -5,-0.1 -1,-0.2 -0.755 64.3-177.8-143.3 83.2 51.5 13.0 22.7 76 73 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.786 86.7 50.6 -58.7 -29.9 50.5 16.5 23.7 77 74 A D T 3 S+ 0 0 130 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.313 78.7 139.4 -92.3 7.1 53.0 18.1 21.3 78 75 A L < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.1 -41,-0.2 -0.269 44.9-142.5 -51.9 130.1 51.9 16.0 18.3 79 76 A L E -g 37 0B 64 -43,-2.4 -41,-2.0 -47,-0.1 2,-0.4 -0.748 15.3-152.1 -96.6 148.6 51.8 18.1 15.1 80 77 A L E -g 38 0B 47 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.939 15.0-167.2-127.1 141.0 49.1 17.5 12.6 81 78 A A E -g 39 0B 12 -43,-2.0 -41,-2.5 -2,-0.4 2,-0.4 -0.990 23.3-137.5-119.6 135.0 48.7 18.0 8.8 82 79 A Q E -g 40 0B 99 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.776 14.6-118.4 -97.6 135.1 45.2 17.8 7.3 83 80 A V - 0 0 3 -43,-2.7 -41,-0.3 -2,-0.4 9,-0.1 -0.439 45.4-100.1 -60.3 137.7 44.2 16.0 4.1 84 81 A R - 0 0 149 7,-0.5 7,-2.9 -2,-0.1 2,-0.5 -0.270 33.6-144.0 -62.1 145.7 42.9 18.5 1.6 85 82 A E E +J 90 0C 96 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.973 22.7 170.3-116.4 130.6 39.1 18.7 1.3 86 83 A S E > -J 89 0C 21 3,-2.5 3,-1.7 -2,-0.5 260,-0.1 -0.999 68.6 -0.0-135.9 137.1 37.4 19.4 -2.0 87 84 A R T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 259,-0.1 0.854 131.4 -55.6 54.5 37.1 33.7 19.1 -2.8 88 85 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.510 120.5 86.6 78.7 6.7 32.9 18.1 0.8 89 86 A K E < S-J 86 0C 13 -3,-1.7 -3,-2.5 253,-0.1 -1,-0.2 -0.931 86.1 -86.7-138.4 159.8 35.3 15.1 0.8 90 87 A A E -J 85 0C 11 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.392 40.2-154.9 -63.3 138.3 38.9 14.2 1.5 91 88 A N - 0 0 4 -7,-2.9 -7,-0.5 1,-0.1 3,-0.4 -0.967 13.4-172.5-123.0 115.8 41.0 14.6 -1.6 92 89 A L >> + 0 0 44 -2,-0.5 4,-2.0 1,-0.2 3,-0.8 0.202 48.3 117.5 -95.6 18.1 44.1 12.5 -1.9 93 90 A T H 3> + 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 69.8 57.5 -53.8 -43.9 45.5 14.0 -5.1 94 91 A K H 3> S+ 0 0 66 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.868 110.3 44.6 -56.3 -38.1 48.7 15.3 -3.5 95 92 A Y H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.874 111.0 52.6 -78.9 -37.2 49.7 11.8 -2.3 96 93 A R H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.897 110.7 48.5 -61.1 -40.5 48.8 10.2 -5.6 97 94 A E H X S+ 0 0 111 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.900 110.0 51.1 -68.6 -38.9 51.0 12.7 -7.4 98 95 A A H X S+ 0 0 2 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.878 107.1 55.3 -63.5 -37.0 53.9 12.1 -5.0 99 96 A S H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.920 103.3 53.8 -62.4 -45.0 53.5 8.4 -5.6 100 97 A V H X S+ 0 0 67 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.906 103.5 58.1 -57.0 -40.1 53.9 8.9 -9.4 101 98 A E H X S+ 0 0 67 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.913 112.3 39.9 -53.0 -46.7 57.2 10.8 -8.7 102 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.916 113.1 52.6 -73.6 -43.3 58.6 7.7 -6.9 103 100 A M H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.875 106.7 54.7 -60.5 -39.9 57.2 5.1 -9.3 104 101 A E H < S+ 0 0 120 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.901 109.2 47.3 -62.8 -40.2 58.8 6.9 -12.3 105 102 A I H >X S+ 0 0 11 -4,-1.3 3,-1.9 -5,-0.2 4,-0.5 0.952 111.4 50.3 -63.4 -50.1 62.2 6.8 -10.6 106 103 A M H >X S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.3 4,-1.3 0.897 101.7 63.5 -55.0 -39.8 61.9 3.1 -9.8 107 104 A S H 3< S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.636 90.1 67.7 -62.0 -15.4 60.9 2.4 -13.4 108 105 A R H <4 S+ 0 0 145 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.774 105.8 41.0 -73.3 -24.9 64.3 3.5 -14.6 109 106 A F H << S- 0 0 60 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.796 128.2 -29.1 -93.3 -32.4 65.9 0.6 -12.9 110 107 A A S < S- 0 0 19 -4,-1.3 -1,-0.3 16,-0.0 2,-0.2 -0.988 75.5 -63.4-173.1 166.4 63.4 -2.2 -13.7 111 108 A V - 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0 0 68 -4,-0.4 -20,-1.5 -7,-0.2 2,-0.3 -0.941 59.1-138.1-143.8 164.3 66.9 0.5 5.9 234 235 A Q E -ef 148 213A 0 -87,-2.6 -85,-2.7 -2,-0.3 2,-0.4 -0.955 12.0-152.1-128.4 153.3 66.8 -2.5 3.6 235 236 A T E -ef 149 214A 0 -22,-2.2 -20,-2.6 -2,-0.3 2,-0.5 -0.979 4.8-150.5-132.3 132.5 66.9 -6.2 4.5 236 237 A L E -ef 150 215A 1 -87,-3.1 -85,-2.4 -2,-0.4 2,-0.6 -0.889 10.7-169.0-101.8 121.4 68.1 -9.2 2.6 237 238 A V - 0 0 0 -22,-2.5 -20,-0.3 -2,-0.5 2,-0.1 -0.950 11.9-160.3-112.9 109.5 66.3 -12.5 3.3 238 239 A S > - 0 0 9 -2,-0.6 3,-0.5 -87,-0.3 4,-0.5 -0.384 31.0-111.4 -85.4 164.5 68.1 -15.5 1.8 239 240 A H G > S+ 0 0 46 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.919 119.6 55.6 -58.7 -40.5 66.7 -18.9 1.1 240 241 A G G 3 S+ 0 0 59 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.757 98.8 60.5 -64.9 -27.7 68.8 -20.3 3.8 241 242 A S G <> S+ 0 0 15 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.615 84.0 86.3 -74.9 -12.0 67.5 -17.8 6.4 242 243 A V H <> S+ 0 0 3 -3,-1.4 4,-3.2 -4,-0.5 5,-0.3 0.913 79.4 54.3 -63.0 -47.6 63.9 -19.2 6.0 243 244 A P H > S+ 0 0 93 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.928 116.3 37.6 -56.2 -46.6 63.9 -22.1 8.5 244 245 A Q H > S+ 0 0 149 -4,-0.4 4,-0.6 2,-0.2 3,-0.4 0.927 117.7 50.9 -69.1 -42.9 65.0 -20.0 11.5 245 246 A L H >< S+ 0 0 19 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.914 115.4 42.1 -58.6 -44.0 63.0 -17.0 10.4 246 247 A F H >< S+ 0 0 2 -4,-3.2 29,-2.3 -5,-0.2 3,-1.2 0.671 94.2 81.5 -78.9 -15.4 59.8 -19.0 10.0 247 248 A S H 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.761 111.2 20.8 -68.2 -24.0 60.3 -21.1 13.1 248 249 A Q T << S+ 0 0 147 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.096 95.1 120.9-125.7 22.6 58.9 -18.3 15.3 249 250 A M < - 0 0 23 -3,-1.2 25,-2.8 -5,-0.1 26,-0.2 -0.794 63.4-127.5 -94.0 112.5 56.9 -16.3 12.7 250 251 A P B > -K 273 0D 31 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.331 19.2-124.3 -56.4 137.4 53.2 -16.0 13.5 251 252 A I G > S+ 0 0 0 21,-1.8 3,-1.8 1,-0.3 6,-0.2 0.837 105.8 66.1 -50.5 -38.0 51.2 -17.1 10.5 252 253 A R G 3 S+ 0 0 145 1,-0.3 -1,-0.3 6,-0.1 4,-0.1 0.637 87.2 70.4 -66.7 -12.9 49.3 -13.8 10.3 253 254 A K G < S+ 0 0 111 -3,-2.0 2,-0.4 4,-0.1 -1,-0.3 0.660 78.4 90.2 -77.4 -16.3 52.5 -11.9 9.4 254 255 A I S X S- 0 0 1 -3,-1.8 3,-2.5 -4,-0.3 4,-0.2 -0.670 94.5 -97.8 -86.3 134.6 52.7 -13.4 5.9 255 256 A R T 3 S+ 0 0 97 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 -0.271 109.7 18.8 -58.0 129.3 50.9 -11.5 3.2 256 257 A S T 3 S+ 0 0 74 -4,-0.1 3,-0.3 -3,-0.0 -1,-0.3 0.165 110.4 79.0 94.4 -10.2 47.4 -13.0 2.5 257 258 A L < + 0 0 1 -3,-2.5 -2,-0.2 -6,-0.2 -3,-0.1 0.243 62.4 95.2-106.6 13.7 47.3 -14.8 5.8 258 259 A G S S+ 0 0 61 -4,-0.2 -1,-0.2 4,-0.1 -6,-0.1 0.480 86.5 38.2 -84.8 -3.6 46.4 -11.8 8.0 259 260 A G S > S- 0 0 46 -3,-0.3 4,-2.0 0, 0.0 5,-0.2 0.005 117.1 -34.7-119.4-136.7 42.6 -12.5 7.9 260 261 A K H > S+ 0 0 193 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.877 128.5 52.6 -63.7 -42.1 40.2 -15.4 8.0 261 262 A L H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 111.3 48.2 -59.2 -47.8 42.3 -18.0 6.0 262 263 A G H > S+ 0 0 1 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.5 51.1 -60.0 -39.9 45.2 -17.4 8.4 263 264 A A H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.884 110.2 50.2 -65.8 -35.9 42.9 -17.8 11.4 264 265 A S H X S+ 0 0 39 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.878 105.5 55.5 -71.9 -35.7 41.6 -21.0 10.0 265 266 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 6,-0.4 0.956 112.3 44.3 -58.0 -46.8 45.1 -22.4 9.4 266 267 A I H X>S+ 0 0 60 -4,-2.0 4,-1.3 1,-0.2 5,-0.7 0.912 118.8 42.3 -63.5 -43.7 45.9 -21.8 13.0 267 268 A E H <5S+ 0 0 166 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.926 118.0 41.8 -73.2 -47.0 42.6 -23.2 14.3 268 269 A I H <5S+ 0 0 86 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.885 124.9 34.2 -70.9 -41.2 42.3 -26.3 12.1 269 270 A L H <5S- 0 0 27 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.672 98.8-131.2 -90.6 -17.6 45.9 -27.3 12.3 270 271 A G T <5 + 0 0 63 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.881 62.6 126.3 68.2 40.6 46.6 -26.2 15.9 271 272 A I < - 0 0 12 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.760 45.7-165.0-123.0 170.2 49.8 -24.4 15.0 272 273 A E + 0 0 124 -2,-0.2 -21,-1.8 1,-0.2 2,-0.3 0.634 65.8 57.9-122.3 -32.9 51.1 -20.9 15.6 273 274 A Y B > S-K 250 0D 76 -23,-0.2 3,-1.0 -26,-0.1 4,-0.5 -0.765 74.5-122.4-116.1 150.9 54.1 -20.4 13.3 274 275 A M G > S+ 0 0 0 -25,-2.8 3,-1.8 -2,-0.3 4,-0.2 0.871 109.1 59.8 -52.6 -42.3 54.8 -20.5 9.6 275 276 A G G > S+ 0 0 18 -29,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.811 90.8 69.4 -62.4 -30.4 57.5 -23.1 10.0 276 277 A E G X S+ 0 0 76 -3,-1.0 3,-1.3 -30,-0.3 -1,-0.3 0.740 83.8 73.8 -60.6 -20.7 55.1 -25.6 11.6 277 278 A L G X S+ 0 0 0 -3,-1.8 3,-1.7 -4,-0.5 -1,-0.3 0.726 76.6 77.6 -64.1 -21.0 53.4 -25.9 8.2 278 279 A T G < S+ 0 0 44 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.723 81.4 68.3 -64.7 -18.9 56.2 -28.0 6.8 279 280 A Q G < S+ 0 0 153 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.3 0.494 87.0 80.3 -82.3 -0.5 55.0 -31.1 8.7 280 281 A F S < S- 0 0 44 -3,-1.7 2,-0.1 -4,-0.1 3,-0.0 -0.776 81.0-117.8-104.7 149.2 51.8 -31.4 6.5 281 282 A T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.410 27.1-113.0 -77.5 161.4 51.6 -33.0 3.1 282 283 A E H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 119.7 51.1 -57.9 -44.3 50.6 -30.9 0.1 283 284 A S H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 106.9 54.0 -62.9 -36.3 47.3 -33.0 -0.1 284 285 A Q H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 110.9 45.7 -62.7 -44.6 46.6 -32.5 3.6 285 286 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.901 112.2 50.5 -66.4 -39.8 46.9 -28.7 3.1 286 287 A Q H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.858 105.0 59.2 -64.7 -34.4 44.7 -28.8 -0.0 287 288 A S H < S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.887 115.7 32.5 -60.8 -39.3 42.1 -30.8 1.8 288 289 A H H < S+ 0 0 89 -4,-1.4 -2,-0.2 -3,-0.1 -1,-0.2 0.856 134.2 22.9 -85.5 -38.3 41.7 -28.1 4.4 289 290 A F H < S- 0 0 18 -4,-2.5 4,-0.4 1,-0.3 -3,-0.2 0.412 112.1 -95.0-118.0 0.4 42.2 -24.9 2.5 290 291 A G X - 0 0 35 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.3 -0.129 41.7 -75.2 101.5 160.2 41.6 -25.8 -1.2 291 292 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.916 128.6 40.7 -57.4 -48.5 43.7 -26.9 -4.1 292 293 A K H > S+ 0 0 180 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 119.7 42.0 -70.3 -53.1 45.1 -23.4 -4.8 293 294 A N H > S+ 0 0 62 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.881 113.3 54.4 -62.5 -39.8 45.7 -22.3 -1.2 294 295 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.917 110.5 44.1 -62.3 -45.2 47.0 -25.7 -0.1 295 296 A S H X S+ 0 0 40 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.900 114.4 51.8 -64.1 -40.6 49.7 -25.8 -2.9 296 297 A W H X S+ 0 0 52 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.940 111.9 45.1 -62.5 -47.9 50.6 -22.2 -2.1 297 298 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.899 109.1 56.2 -61.2 -43.6 51.0 -22.9 1.6 298 299 A Y H < S+ 0 0 73 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.924 117.1 35.0 -56.4 -46.1 53.0 -26.1 1.0 299 300 A A H ><>S+ 0 0 24 -4,-2.0 5,-2.4 1,-0.2 3,-1.3 0.901 114.8 56.7 -73.8 -42.8 55.5 -24.1 -1.0 300 301 A M H ><5S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.870 98.9 57.6 -62.6 -39.0 55.4 -20.8 1.0 301 302 A C T 3<5S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -23,-0.2 0.669 107.4 51.3 -68.5 -12.4 56.3 -22.4 4.3 302 303 A R T < 5S- 0 0 76 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.304 127.1-102.4 -99.3 4.0 59.5 -23.6 2.6 303 304 A G T < 5S+ 0 0 1 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.612 82.8 127.6 88.2 15.1 60.2 -20.1 1.3 304 305 A I < + 0 0 19 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.890 21.5 150.4-113.7 131.3 59.0 -20.8 -2.2 305 306 A E - 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