==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-03 1R8B . COMPND 2 MOLECULE: TRNA NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR Y.XIONG,F.LI,J.WANG,A.M.WEINER,T.A.STEITZ . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 14.2 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 . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 1 2 2 0 3 1 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 1 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 . 0 1 1 3 1 2 1 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 . 0 1 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 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 1 A M 0 0 157 0, 0.0 4,-0.1 0, 0.0 249,-0.1 0.000 360.0 360.0 360.0 25.8 -5.3 0.4 10.8 2 2 A K > - 0 0 158 247,-0.2 4,-2.1 3,-0.1 3,-0.2 0.418 360.0-113.4 79.7 131.4 -5.7 4.2 10.8 3 3 A V H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.956 116.2 53.8 -56.7 -54.3 -3.0 6.2 12.6 4 4 A E H > S+ 0 0 122 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.813 111.7 45.8 -54.5 -34.8 -5.5 7.5 15.2 5 5 A E H > S+ 0 0 89 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.843 110.7 52.0 -75.5 -38.4 -6.5 3.8 16.0 6 6 A I H X S+ 0 0 6 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.932 108.4 52.3 -62.8 -44.4 -3.0 2.6 16.2 7 7 A L H X S+ 0 0 14 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.850 109.0 49.4 -61.4 -37.2 -2.1 5.4 18.6 8 8 A E H < S+ 0 0 143 -4,-1.2 4,-0.5 -5,-0.3 3,-0.3 0.925 112.4 48.5 -66.8 -41.2 -5.0 4.3 20.8 9 9 A K H >< S+ 0 0 103 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.806 108.4 54.8 -67.0 -28.8 -3.8 0.7 20.6 10 10 A A H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.9 0.782 89.0 77.1 -76.2 -26.9 -0.2 1.8 21.5 11 11 A L H 3X S+ 0 0 37 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.802 92.4 53.0 -54.6 -30.7 -1.4 3.6 24.7 12 12 A E H <4 S+ 0 0 144 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.766 106.6 50.2 -79.2 -26.7 -1.6 0.2 26.4 13 13 A L H <4 S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.740 122.3 37.1 -71.0 -19.1 2.0 -0.8 25.5 14 14 A V H < S+ 0 0 2 -4,-1.2 41,-1.9 40,-0.1 -2,-0.2 0.713 94.5 82.1-111.7 -33.0 3.0 2.5 26.9 15 15 A I S < S- 0 0 60 -4,-2.3 39,-0.1 -5,-0.2 37,-0.0 -0.689 87.1-108.9 -84.6 129.6 0.8 3.5 30.0 16 16 A P - 0 0 7 0, 0.0 39,-0.1 0, 0.0 -2,-0.1 -0.287 40.2-111.6 -61.9 145.4 2.1 1.8 33.2 17 17 A D > - 0 0 79 3,-0.0 4,-1.7 4,-0.0 3,-0.2 0.075 31.6 -87.7 -77.3-172.0 -0.1 -1.0 34.5 18 18 A E H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.938 120.9 42.6 -68.3 -55.1 -2.3 -1.2 37.6 19 19 A E H > S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.719 111.6 59.3 -65.7 -21.9 0.1 -2.5 40.3 20 20 A E H > S+ 0 0 29 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.916 103.1 48.1 -74.3 -44.5 2.9 -0.2 39.1 21 21 A V H X S+ 0 0 44 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.913 117.3 42.2 -64.2 -43.9 1.0 3.1 39.6 22 22 A R H X S+ 0 0 160 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.794 107.6 60.7 -75.1 -27.1 -0.0 2.2 43.1 23 23 A K H X S+ 0 0 104 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.904 110.0 44.1 -61.4 -38.6 3.4 0.7 43.8 24 24 A G H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.902 110.5 53.1 -70.4 -45.1 4.7 4.3 43.1 25 25 A R H X S+ 0 0 129 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.902 110.5 48.2 -55.9 -44.1 1.9 5.9 45.2 26 26 A E H X S+ 0 0 129 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.882 114.5 44.9 -69.9 -39.9 2.8 3.8 48.2 27 27 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.889 113.5 51.1 -66.2 -42.8 6.5 4.5 47.9 28 28 A E H X S+ 0 0 38 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.928 110.9 46.6 -62.0 -48.8 5.9 8.2 47.3 29 29 A E H X S+ 0 0 100 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 113.5 48.9 -63.9 -42.3 3.7 8.7 50.3 30 30 A E H X S+ 0 0 53 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.883 111.3 50.2 -63.0 -40.9 6.1 6.7 52.6 31 31 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 109.0 51.8 -62.8 -42.4 9.0 8.8 51.3 32 32 A R H X S+ 0 0 83 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.912 108.4 52.6 -58.8 -43.2 7.0 12.0 52.0 33 33 A R H X S+ 0 0 129 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 111.1 44.8 -60.9 -47.5 6.4 10.8 55.6 34 34 A R H X S+ 0 0 48 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.899 117.6 44.2 -67.3 -43.3 10.1 10.2 56.2 35 35 A L H X>S+ 0 0 1 -4,-2.5 5,-2.0 2,-0.2 4,-0.5 0.917 114.5 49.2 -63.0 -47.0 11.1 13.5 54.7 36 36 A D H ><5S+ 0 0 93 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.880 105.9 56.6 -62.7 -40.0 8.3 15.4 56.5 37 37 A E H 3<5S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 108.5 48.8 -65.5 -26.9 9.2 13.8 59.8 38 38 A L H 3<5S- 0 0 91 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.542 111.2-121.9 -88.1 -7.4 12.8 15.2 59.4 39 39 A G T <<5 + 0 0 45 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.740 54.7 163.3 74.3 23.1 11.5 18.7 58.5 40 40 A V < - 0 0 16 -5,-2.0 2,-0.5 1,-0.0 -1,-0.2 -0.474 37.6-134.5 -78.6 144.6 13.3 18.5 55.1 41 41 A E + 0 0 107 -2,-0.2 24,-2.4 24,-0.1 2,-0.3 -0.891 45.5 147.4 -99.2 123.0 12.4 20.9 52.3 42 42 A Y E -A 64 0A 45 -2,-0.5 2,-0.3 22,-0.3 22,-0.2 -0.960 36.9-146.7-151.8 168.2 12.0 19.0 49.0 43 43 A V E -A 63 0A 43 20,-2.2 20,-2.6 -2,-0.3 2,-0.5 -0.994 18.9-133.5-145.7 135.1 10.3 18.6 45.7 44 44 A F E +A 62 0A 10 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.793 40.4 168.7 -85.4 126.0 9.5 15.5 43.7 45 45 A V E > +A 61 0A 3 16,-2.7 4,-1.0 -2,-0.5 16,-0.7 -0.536 26.2 49.5-123.4-171.5 10.6 16.2 40.1 46 46 A G H > S- 0 0 16 84,-0.2 4,-1.1 1,-0.2 5,-0.1 -0.134 104.2 -35.7 73.5-165.3 11.0 14.2 36.9 47 47 A S H >>S+ 0 0 25 1,-0.2 5,-2.2 2,-0.2 6,-0.8 0.779 131.3 55.7 -77.2 -31.6 8.7 11.8 35.2 48 48 A Y H >45S+ 0 0 22 11,-0.5 3,-1.6 -3,-0.3 -1,-0.2 0.971 107.6 50.8 -56.1 -52.8 7.1 10.3 38.2 49 49 A A H 3<5S+ 0 0 40 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.765 117.9 38.5 -58.4 -29.1 6.0 13.7 39.5 50 50 A R H 3<5S- 0 0 22 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.316 106.7-120.6-107.1 6.9 4.4 14.6 36.1 51 51 A N T <<5S+ 0 0 74 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.881 80.5 117.4 55.2 42.5 2.9 11.2 35.3 52 52 A T < + 0 0 0 -5,-2.2 -4,-0.2 -6,-0.1 2,-0.1 0.273 35.1 126.1-115.3 5.4 4.9 10.9 32.1 53 53 A W - 0 0 2 -6,-0.8 5,-0.1 1,-0.1 3,-0.1 -0.410 61.7-113.9 -80.4 140.8 7.0 7.9 33.0 54 54 A L > - 0 0 10 3,-0.2 3,-2.3 1,-0.1 -39,-0.2 -0.380 41.2 -84.3 -72.4 148.5 7.0 5.0 30.6 55 55 A K T 3 S+ 0 0 84 -41,-1.9 -1,-0.1 1,-0.3 -40,-0.1 -0.324 118.8 17.4 -46.6 121.0 5.5 1.6 31.5 56 56 A G T 3 S+ 0 0 58 -3,-0.1 -1,-0.3 -39,-0.1 -2,-0.1 0.378 102.8 92.8 95.9 -0.3 8.2 -0.3 33.3 57 57 A S < + 0 0 56 -3,-2.3 2,-0.5 2,-0.1 -3,-0.2 -0.303 47.8 161.6-124.2 49.7 10.4 2.6 34.2 58 58 A L + 0 0 21 -5,-0.1 50,-0.6 -11,-0.0 2,-0.3 -0.600 10.1 146.1 -75.9 119.3 9.1 3.6 37.6 59 59 A E E - b 0 108A 55 -2,-0.5 2,-0.5 48,-0.1 -11,-0.5 -0.971 37.8-138.9-155.0 136.6 11.7 5.8 39.4 60 60 A I E - b 0 109A 0 48,-2.7 50,-2.5 -2,-0.3 2,-0.6 -0.894 12.6-159.6-106.6 127.3 11.2 8.7 41.9 61 61 A D E -Ab 45 110A 38 -16,-0.7 -16,-2.7 -2,-0.5 2,-0.4 -0.923 11.9-178.7-108.3 119.2 13.4 11.7 41.7 62 62 A V E -Ab 44 111A 1 48,-3.5 50,-2.1 -2,-0.6 2,-0.5 -0.946 12.3-160.1-116.0 134.0 13.6 13.9 44.7 63 63 A F E -Ab 43 112A 15 -20,-2.6 -20,-2.2 -2,-0.4 2,-0.5 -0.969 13.8-143.0-108.2 125.2 15.5 17.1 45.0 64 64 A L E -Ab 42 113A 0 48,-2.3 50,-2.2 -2,-0.5 2,-0.7 -0.788 18.4-149.3 -79.5 127.1 16.4 18.3 48.5 65 65 A L E - b 0 114A 30 -24,-2.4 50,-0.2 -2,-0.5 -24,-0.1 -0.867 17.7-177.4-111.3 102.0 16.1 22.1 48.4 66 66 A F E - b 0 115A 11 48,-2.0 50,-2.3 -2,-0.7 4,-0.1 -0.718 35.3 -89.8-103.7 145.8 18.5 24.0 50.8 67 67 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.066 42.6-107.2 -49.2 151.3 18.7 27.7 51.5 68 68 A E S S+ 0 0 94 48,-0.4 2,-1.6 1,-0.2 -2,-0.1 0.796 104.8 72.9 -55.3 -37.4 21.2 29.7 49.3 69 69 A E + 0 0 161 46,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.481 65.9 103.2 -91.5 67.8 23.8 30.2 52.1 70 70 A F S S- 0 0 74 -2,-1.6 5,-0.1 -4,-0.1 -4,-0.0 -0.956 71.4-120.1-133.8 129.4 25.3 26.8 52.5 71 71 A S > - 0 0 80 -2,-0.3 4,-1.4 3,-0.1 5,-0.2 0.130 36.7 -86.0 -62.2-179.5 28.8 26.3 50.9 72 72 A K H > S+ 0 0 125 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.842 130.7 34.1 -62.0 -38.2 29.6 23.7 48.2 73 73 A E H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.637 107.0 69.2 -90.9 -18.0 30.3 20.9 50.6 74 74 A E H > S+ 0 0 103 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.821 107.6 40.3 -64.6 -31.5 27.7 22.1 53.1 75 75 A L H X S+ 0 0 14 -4,-1.4 4,-0.9 3,-0.2 -1,-0.2 0.764 116.7 51.0 -81.4 -31.9 25.1 21.0 50.5 76 76 A R H X S+ 0 0 93 -4,-0.6 4,-1.2 -5,-0.2 -2,-0.2 0.881 117.2 35.6 -74.8 -40.7 27.1 17.8 49.6 77 77 A E H X S+ 0 0 125 -4,-2.8 4,-1.0 2,-0.2 -3,-0.2 0.914 121.9 43.7 -83.7 -46.0 27.5 16.5 53.2 78 78 A R H X S+ 0 0 119 -4,-1.0 4,-1.0 -5,-0.4 -2,-0.2 0.791 113.1 55.3 -68.0 -30.1 24.1 17.6 54.6 79 79 A G H X S+ 0 0 1 -4,-0.9 4,-1.4 1,-0.2 3,-0.4 0.898 106.5 47.8 -70.1 -42.3 22.5 16.4 51.4 80 80 A L H X S+ 0 0 16 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.729 102.0 68.6 -71.8 -21.3 23.9 12.9 51.6 81 81 A E H X S+ 0 0 105 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.915 102.7 42.5 -59.9 -44.4 22.8 12.8 55.3 82 82 A I H X S+ 0 0 6 -4,-1.0 4,-1.8 -3,-0.4 5,-0.2 0.877 106.9 58.9 -77.0 -39.6 19.1 12.8 54.4 83 83 A G H X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.899 108.4 46.7 -53.4 -43.4 19.3 10.2 51.5 84 84 A K H < S+ 0 0 105 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 113.2 50.3 -64.2 -38.8 20.7 7.7 54.0 85 85 A A H < S+ 0 0 66 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 116.2 38.7 -69.1 -29.9 18.1 8.5 56.5 86 86 A V H < S+ 0 0 1 -4,-1.8 2,-0.3 -3,-0.1 -1,-0.2 0.562 99.1 78.1-109.1 -13.8 15.1 8.2 54.2 87 87 A L < - 0 0 9 -4,-1.2 17,-0.2 -5,-0.2 3,-0.1 -0.783 69.2-137.4-104.3 145.2 15.9 5.2 51.9 88 88 A D S S- 0 0 89 15,-2.6 2,-0.3 -2,-0.3 16,-0.1 0.942 93.1 -1.2 -61.1 -50.8 15.5 1.6 52.9 89 89 A S E S-C 103 0A 71 14,-0.7 14,-2.0 -3,-0.1 2,-0.3 -0.927 80.8-177.0-135.2 157.7 18.8 0.7 51.2 90 90 A Y E -C 102 0A 101 -2,-0.3 2,-0.3 12,-0.3 12,-0.3 -0.998 21.9-155.9-157.2 154.2 21.2 3.0 49.3 91 91 A E E -C 101 0A 92 10,-3.8 10,-2.3 -2,-0.3 2,-0.9 -0.900 30.4-121.8-119.4 155.8 24.3 3.5 47.2 92 92 A I E -C 100 0A 76 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.844 39.9-168.0 -96.4 95.6 26.3 6.8 46.9 93 93 A R E -C 99 0A 95 -2,-0.9 6,-1.8 6,-0.7 2,-0.4 -0.320 15.0-137.4 -80.4 166.7 26.2 7.3 43.1 94 94 A Y E +C 98 0A 171 4,-0.2 -2,-0.0 1,-0.1 6,-0.0 -0.878 34.5 153.3-132.1 97.0 28.4 9.8 41.2 95 95 A A S S- 0 0 64 2,-0.7 -1,-0.1 -2,-0.4 0, 0.0 0.860 89.7 -41.1 -81.2 -91.1 26.7 11.8 38.4 96 96 A E S S+ 0 0 107 1,-0.5 -2,-0.0 0, 0.0 3,-0.0 0.685 138.7 5.8-102.7 -39.7 28.7 15.0 38.1 97 97 A H S S- 0 0 134 -21,-0.0 -2,-0.7 -4,-0.0 -1,-0.5 -0.968 107.1 -66.0-139.1 159.2 29.0 15.3 41.9 98 98 A P E +C 94 0A 20 0, 0.0 2,-0.2 0, 0.0 -4,-0.2 -0.063 56.6 158.7 -56.1 129.1 27.9 12.8 44.6 99 99 A Y E -C 93 0A 42 -6,-1.8 -6,-0.7 13,-0.1 2,-0.4 -0.804 37.5-103.0-129.9 178.2 24.2 12.1 45.2 100 100 A V E -CD 92 111A 2 11,-2.2 11,-2.6 -2,-0.2 2,-0.4 -0.892 27.4-177.4-105.8 133.5 22.2 9.2 46.8 101 101 A H E +CD 91 110A 11 -10,-2.3 -10,-3.8 -2,-0.4 2,-0.2 -0.993 25.4 127.7-122.8 143.9 20.3 6.4 45.0 102 102 A G E -CD 90 109A 3 7,-2.2 7,-2.4 -2,-0.4 2,-0.3 -0.853 47.3 -86.2-166.8-165.0 18.3 3.8 46.9 103 103 A V E -CD 89 108A 45 -14,-2.0 -15,-2.6 -2,-0.2 -14,-0.7 -0.923 19.1-170.4-129.8 145.6 15.0 2.1 47.3 104 104 A V E > S- D 0 107A 0 3,-2.2 3,-1.0 -2,-0.3 -73,-0.1 -0.902 79.5 -23.0-137.2 115.7 11.7 2.7 49.2 105 105 A K T 3 S- 0 0 113 -2,-0.3 -78,-0.2 1,-0.2 3,-0.1 0.919 129.8 -45.4 50.9 49.3 9.0 0.0 49.3 106 106 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -79,-0.1 -1,-0.2 0.448 115.1 115.7 82.6 3.9 10.3 -1.7 46.2 107 107 A V E < - D 0 104A 3 -3,-1.0 -3,-2.2 -84,-0.1 -1,-0.2 -0.902 66.5-119.9-117.8 133.3 10.8 1.5 44.2 108 108 A E E -bD 59 103A 98 -50,-0.6 -48,-2.7 -2,-0.4 2,-0.3 -0.425 36.5-179.1 -65.7 136.5 13.9 3.1 42.8 109 109 A V E -bD 60 102A 0 -7,-2.4 -7,-2.2 -50,-0.2 2,-0.4 -0.993 17.8-157.7-139.3 141.1 14.5 6.7 44.2 110 110 A D E -bD 61 101A 19 -50,-2.5 -48,-3.5 -2,-0.3 2,-0.5 -0.993 6.7-165.2-119.3 132.4 17.2 9.3 43.6 111 111 A V E -bD 62 100A 4 -11,-2.6 -11,-2.2 -2,-0.4 -48,-0.2 -0.986 10.3-175.9-115.6 124.4 17.8 12.0 46.1 112 112 A V E -b 63 0A 17 -50,-2.1 -48,-2.3 -2,-0.5 2,-0.4 -0.975 21.6-133.0-124.7 128.7 19.9 15.0 44.9 113 113 A P E +b 64 0A 17 0, 0.0 2,-0.3 0, 0.0 -48,-0.2 -0.681 40.0 155.7 -77.3 128.0 21.1 18.0 47.0 114 114 A C E -b 65 0A 1 -50,-2.2 -48,-2.0 -2,-0.4 2,-0.1 -0.983 42.9 -91.0-148.3 161.4 20.6 21.4 45.3 115 115 A Y E -b 66 0A 30 -2,-0.3 2,-1.1 -50,-0.2 -47,-0.1 -0.416 29.8-128.3 -68.1 143.3 20.1 25.1 46.0 116 116 A K - 0 0 104 -50,-2.3 2,-0.6 -2,-0.1 -48,-0.4 -0.815 39.4-175.6 -89.8 93.6 16.6 26.6 46.5 117 117 A L - 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0 0 37 -40,-3.1 3,-0.1 -2,-0.4 -40,-0.0 -0.434 10.5-139.4 -67.1 151.5 55.1 -7.8 6.5 381 381 A K S S+ 0 0 191 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.400 88.7 27.2 -91.1 0.1 55.2 -9.4 9.9 382 382 A F - 0 0 22 -42,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.971 53.3-171.4-154.3 152.1 51.6 -10.6 9.4 383 383 A T S S+ 0 0 12 -2,-0.3 -45,-2.6 -3,-0.1 -1,-0.1 0.349 70.3 61.1-126.5 -1.2 49.3 -11.4 6.5 384 384 A T S > S- 0 0 27 -47,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.930 80.0-123.7-121.6 154.1 45.9 -11.9 8.0 385 385 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 112.9 57.7 -66.8 -34.2 43.8 -9.3 9.9 386 386 A E H > S+ 0 0 44 2,-0.2 4,-1.8 -50,-0.2 5,-0.1 0.892 108.9 45.4 -54.9 -45.0 43.6 -11.7 12.9 387 387 A E H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 112.6 52.4 -68.2 -39.1 47.5 -11.8 13.1 388 388 A G H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.930 109.8 46.6 -59.6 -48.2 47.6 -8.1 12.7 389 389 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.857 107.7 56.8 -68.8 -32.3 45.2 -7.4 15.5 390 390 A R H X S+ 0 0 144 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.962 113.1 42.6 -58.6 -45.2 47.1 -9.9 17.8 391 391 A S H X S+ 0 0 54 -4,-2.0 4,-1.6 2,-0.2 5,-0.3 0.949 116.1 47.5 -64.2 -48.0 50.1 -7.8 17.2 392 392 A Y H X S+ 0 0 10 -4,-3.1 4,-3.4 1,-0.2 3,-0.4 0.936 113.1 45.8 -62.6 -48.7 48.3 -4.5 17.6 393 393 A A H < S+ 0 0 1 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.769 112.5 53.0 -65.5 -28.6 46.5 -5.4 20.8 394 394 A S H < S+ 0 0 64 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.808 123.0 26.7 -73.2 -32.7 49.7 -6.8 22.3 395 395 A T H < S+ 0 0 80 -4,-1.6 3,-0.3 -3,-0.4 -2,-0.2 0.759 126.1 40.5-105.1 -32.4 51.7 -3.6 21.6 396 396 A H >< + 0 0 76 -4,-3.4 3,-2.0 -5,-0.3 4,-0.2 0.079 66.9 121.9-116.5 27.0 49.1 -0.7 21.6 397 397 A W G > + 0 0 55 -4,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.784 65.6 73.8 -54.5 -25.8 46.8 -1.6 24.5 398 398 A H G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.634 95.8 48.3 -69.3 -12.5 47.7 1.8 26.0 399 399 A T G < S+ 0 0 34 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.349 90.8 83.6-103.3 4.5 45.6 3.6 23.4 400 400 A L S < S- 0 0 0 -3,-1.7 -100,-0.3 1,-0.3 -1,-0.1 0.095 111.1 -66.6-101.7 25.3 42.5 1.4 23.8 401 401 A G > - 0 0 10 -3,-0.2 4,-2.0 3,-0.2 5,-0.4 0.086 51.4 -92.9 100.1 144.7 41.0 3.1 26.9 402 402 A K H > S+ 0 0 144 1,-0.2 4,-1.0 3,-0.2 -1,-0.1 0.922 122.2 21.2 -55.0 -52.5 42.3 3.3 30.4 403 403 A N H > S+ 0 0 34 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.841 124.9 51.7 -90.6 -40.1 40.5 0.3 31.8 404 404 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -3,-0.2 0.934 113.6 46.7 -60.1 -44.6 39.8 -1.6 28.5 405 405 A G H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 110.2 51.6 -67.5 -41.4 43.4 -1.3 27.5 406 406 A E H X S+ 0 0 79 -4,-1.0 4,-1.5 -5,-0.4 -1,-0.2 0.890 111.1 49.4 -62.0 -41.5 44.7 -2.4 31.0 407 407 A S H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 3,-0.4 0.940 109.1 50.4 -61.6 -50.3 42.4 -5.4 30.7 408 408 A I H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 105.4 59.8 -57.0 -34.9 43.6 -6.3 27.2 409 409 A R H < S+ 0 0 160 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.918 107.9 43.9 -57.3 -43.9 47.2 -6.1 28.6 410 410 A E H < S- 0 0 156 -4,-1.5 2,-0.2 -3,-0.4 -2,-0.2 0.833 133.9 -18.6 -72.5 -32.8 46.4 -8.8 31.2 411 411 A Y < + 0 0 74 -4,-1.8 -127,-0.5 -5,-0.1 2,-0.3 -0.823 60.4 159.6-176.8 127.1 44.6 -11.1 28.7 412 412 A F - 0 0 39 -2,-0.2 2,-0.3 -3,-0.2 -129,-0.2 -0.970 15.4-158.4-145.4 168.0 42.9 -11.1 25.3 413 413 A E E -J 282 0D 84 -131,-1.7 -131,-3.0 -2,-0.3 2,-0.5 -0.991 14.3-139.4-140.0 140.4 42.0 -13.7 22.7 414 414 A I E -J 281 0D 40 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.938 25.9-166.2 -97.8 125.7 41.3 -13.4 19.0 415 415 A I E +J 280 0D 10 -135,-2.9 -135,-2.3 -2,-0.5 2,-0.3 -0.969 11.8 169.8-119.8 131.0 38.4 -15.7 18.1 416 416 A S E >> -J 279 0D 35 -2,-0.4 3,-0.9 -137,-0.2 4,-0.9 -0.849 44.1 -3.5-125.4 162.8 37.4 -16.6 14.5 417 417 A G H 3> S- 0 0 28 -139,-0.7 4,-1.6 -2,-0.3 3,-0.4 -0.125 120.5 -4.2 64.5-143.2 35.0 -19.1 12.9 418 418 A E H 34 S+ 0 0 86 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.755 133.4 56.4 -62.5 -26.4 32.9 -21.7 14.7 419 419 A K H X4 S+ 0 0 117 -3,-0.9 3,-1.4 1,-0.2 4,-0.4 0.910 103.4 54.0 -72.1 -41.6 34.6 -20.7 18.0 420 420 A L H >< S+ 0 0 0 -4,-0.9 3,-1.6 -3,-0.4 5,-0.3 0.902 103.0 57.9 -54.9 -39.5 33.4 -17.1 17.5 421 421 A F T 3< S+ 0 0 16 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.625 95.4 64.7 -73.9 -10.2 29.9 -18.4 17.0 422 422 A K T < S+ 0 0 162 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.603 89.2 84.1 -78.1 -17.4 30.0 -20.1 20.5 423 423 A E S X S- 0 0 34 -3,-1.6 2,-2.4 -4,-0.4 3,-0.7 -0.525 98.8-101.3 -88.7 157.7 30.3 -16.7 22.2 424 424 A P T 3 S+ 0 0 62 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.316 99.9 91.4 -77.8 60.6 27.3 -14.5 23.1 425 425 A V T 3> + 0 0 0 -2,-2.4 4,-2.4 -5,-0.3 3,-0.3 0.314 43.4 106.3-131.3 0.7 27.9 -12.2 20.1 426 426 A T H <> S+ 0 0 38 -3,-0.7 4,-2.2 1,-0.3 5,-0.1 0.840 82.7 50.4 -64.5 -35.1 25.8 -13.8 17.3 427 427 A A H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.881 110.8 47.7 -63.7 -45.3 23.1 -11.1 17.5 428 428 A E H > S+ 0 0 52 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.852 112.1 51.6 -65.6 -36.7 25.7 -8.3 17.2 429 429 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.939 108.7 50.5 -63.8 -47.6 27.3 -10.1 14.3 430 430 A C H <>S+ 0 0 4 -4,-2.2 5,-2.9 2,-0.2 4,-0.4 0.902 113.1 45.7 -58.4 -42.2 24.0 -10.5 12.5 431 431 A E H ><5S+ 0 0 140 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.938 109.9 53.8 -68.2 -44.2 23.2 -6.8 12.9 432 432 A M H 3<5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 114.0 42.6 -57.1 -35.0 26.8 -5.8 11.8 433 433 A M T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.433 111.6-118.8 -94.5 -0.7 26.3 -7.8 8.6 434 434 A G T < 5 - 0 0 54 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.1 0.836 43.0-174.2 68.2 32.3 22.8 -6.6 7.9 435 435 A V < - 0 0 24 -5,-2.9 -1,-0.2 -6,-0.2 -175,-0.1 -0.418 11.7-142.9 -63.1 131.5 21.4 -10.2 8.2 436 436 A K 0 0 171 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.282 360.0 360.0 -83.8 175.3 17.7 -10.4 7.3 437 437 A D 0 0 176 -2,-0.1 -1,-0.1 0, 0.0 -177,-0.0 -0.459 360.0 360.0 -77.3 360.0 15.0 -12.6 8.8