==== 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 1R8C . 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) . 25309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 33.6 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 2 0 0 0 4 1 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 1 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 . 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 0 169 0, 0.0 4,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 49.8 -5.5 0.7 10.0 2 2 A K >> - 0 0 140 3,-0.1 4,-1.9 2,-0.1 3,-0.6 0.709 360.0-111.2 63.0 127.4 -6.0 4.5 10.1 3 3 A V H 3> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 114.8 54.1 -53.0 -46.9 -3.5 6.5 12.1 4 4 A E H 3> S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.817 110.1 45.1 -63.4 -34.9 -6.1 7.5 14.8 5 5 A E H <> S+ 0 0 111 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.788 110.4 54.2 -78.9 -30.2 -7.2 3.9 15.6 6 6 A I H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 107.0 52.1 -65.3 -44.1 -3.6 2.6 15.7 7 7 A L H X S+ 0 0 13 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.826 106.6 53.3 -63.1 -32.1 -2.8 5.3 18.3 8 8 A E H < S+ 0 0 138 -4,-1.0 3,-0.4 1,-0.2 4,-0.4 0.924 111.2 45.6 -68.8 -40.8 -5.7 4.2 20.4 9 9 A K H >< S+ 0 0 133 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.814 107.3 59.0 -68.4 -31.3 -4.5 0.5 20.4 10 10 A A H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.8 0.748 88.4 74.0 -71.3 -25.6 -0.9 1.6 21.2 11 11 A L H 3X S+ 0 0 30 -4,-0.9 4,-1.9 -3,-0.4 3,-0.4 0.806 90.5 58.5 -59.0 -29.2 -2.0 3.3 24.4 12 12 A E H <4 S+ 0 0 145 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.783 107.8 45.1 -70.9 -28.9 -2.5 -0.2 25.9 13 13 A L H <4 S+ 0 0 60 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.590 119.6 42.9 -84.9 -10.7 1.2 -1.0 25.3 14 14 A V H < S+ 0 0 3 -4,-0.8 41,-1.4 -3,-0.4 -2,-0.2 0.661 94.0 80.6-113.9 -25.9 2.4 2.4 26.6 15 15 A I S < S- 0 0 62 -4,-1.9 39,-0.1 -5,-0.2 131,-0.0 -0.726 88.0-107.4 -90.4 132.3 0.3 3.0 29.8 16 16 A P - 0 0 10 0, 0.0 39,-0.1 0, 0.0 -2,-0.1 -0.193 38.1-110.2 -57.0 151.7 1.6 1.3 32.9 17 17 A D > - 0 0 76 1,-0.0 4,-1.6 4,-0.0 3,-0.2 -0.057 33.0 -93.1 -77.7-176.0 -0.4 -1.7 34.2 18 18 A E H > S+ 0 0 163 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.948 119.7 46.2 -67.6 -53.9 -2.5 -1.9 37.4 19 19 A E H > S+ 0 0 146 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.665 109.4 58.0 -66.8 -18.9 -0.1 -3.3 39.9 20 20 A E H > S+ 0 0 30 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.939 105.5 47.5 -73.2 -51.3 2.7 -0.9 38.8 21 21 A V H X S+ 0 0 51 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.832 116.8 44.7 -55.7 -36.9 0.6 2.3 39.5 22 22 A R H X S+ 0 0 160 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.880 108.5 55.0 -79.5 -39.7 -0.3 0.9 43.0 23 23 A K H X S+ 0 0 112 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.859 111.0 48.5 -57.1 -36.6 3.2 -0.3 43.8 24 24 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.886 107.1 51.8 -73.7 -43.3 4.4 3.3 43.1 25 25 A R H X S+ 0 0 122 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.815 107.4 54.4 -67.1 -32.4 1.8 5.1 45.2 26 26 A E H X S+ 0 0 124 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.912 110.2 46.3 -64.8 -44.0 2.6 3.0 48.2 27 27 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.849 111.4 52.5 -67.4 -35.0 6.3 3.9 48.0 28 28 A E H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.899 109.2 47.8 -68.8 -44.9 5.5 7.6 47.5 29 29 A E H X S+ 0 0 98 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.875 112.9 48.8 -63.9 -39.7 3.3 7.9 50.6 30 30 A E H X S+ 0 0 62 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.881 111.0 50.9 -66.5 -38.9 5.9 6.1 52.7 31 31 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.903 108.8 50.2 -67.2 -42.5 8.6 8.4 51.4 32 32 A R H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 108.0 56.4 -58.8 -40.4 6.5 11.5 52.2 33 33 A R H X S+ 0 0 149 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.891 109.2 44.0 -59.9 -44.6 6.0 10.1 55.7 34 34 A R H X S+ 0 0 56 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.837 115.5 46.0 -72.9 -38.6 9.8 9.8 56.4 35 35 A L H >X>S+ 0 0 2 -4,-1.9 5,-1.4 2,-0.2 4,-0.7 0.888 109.4 55.4 -71.4 -42.7 10.8 13.2 55.0 36 36 A D H ><5S+ 0 0 99 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.868 104.4 53.8 -58.5 -40.7 7.9 15.0 56.8 37 37 A E H 3<5S+ 0 0 164 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 107.4 52.4 -65.6 -26.0 9.1 13.6 60.2 38 38 A L H <<5S- 0 0 90 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.583 108.5-126.3 -86.3 -12.9 12.6 15.0 59.5 39 39 A G T <<5 + 0 0 55 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.757 55.9 150.0 74.9 25.6 11.2 18.5 58.8 40 40 A V < - 0 0 13 -5,-1.4 2,-0.4 42,-0.0 -1,-0.2 -0.708 45.9-129.5 -91.4 140.1 12.9 18.8 55.4 41 41 A E E +A 65 0A 96 24,-0.5 24,-1.9 -2,-0.3 2,-0.3 -0.723 44.0 156.6 -85.6 138.2 11.4 20.8 52.6 42 42 A Y E -A 64 0A 42 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.974 31.7-149.0-156.1 167.6 11.2 18.8 49.4 43 43 A V E -A 63 0A 48 20,-1.9 20,-2.4 -2,-0.3 2,-0.5 -0.990 19.3-130.9-146.8 134.8 9.5 18.3 46.0 44 44 A F E +A 62 0A 11 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.767 39.1 170.5 -81.6 128.3 8.8 15.3 43.9 45 45 A V E > +A 61 0A 5 16,-2.2 4,-1.0 -2,-0.5 16,-0.7 -0.498 26.9 53.2-122.8-170.8 10.0 16.0 40.3 46 46 A G H > S- 0 0 16 84,-0.2 4,-1.6 1,-0.2 5,-0.1 -0.168 102.7 -39.4 79.1-169.9 10.4 13.9 37.1 47 47 A S H 4>S+ 0 0 22 1,-0.2 5,-2.3 2,-0.2 6,-0.8 0.770 131.7 57.4 -76.3 -28.1 8.1 11.6 35.2 48 48 A Y H >45S+ 0 0 25 11,-0.5 3,-1.2 -3,-0.3 -1,-0.2 0.955 107.5 48.4 -59.8 -51.6 6.5 10.0 38.3 49 49 A A H 3<5S+ 0 0 41 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.884 117.8 39.9 -56.2 -40.8 5.4 13.5 39.5 50 50 A R T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.322 107.6-120.9 -98.3 5.7 3.9 14.5 36.2 51 51 A N T < 5S+ 0 0 80 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.866 79.3 118.0 56.3 42.5 2.4 11.1 35.4 52 52 A T < + 0 0 0 -5,-2.3 2,-0.2 -6,-0.1 -4,-0.2 0.203 33.6 126.7-116.7 10.2 4.4 10.8 32.1 53 53 A W - 0 0 9 -6,-0.8 3,-0.1 -5,-0.1 5,-0.1 -0.516 59.6-116.8 -82.0 141.7 6.5 7.6 32.9 54 54 A L > - 0 0 6 -2,-0.2 3,-2.0 3,-0.2 -39,-0.2 -0.327 40.6 -81.6 -75.3 154.1 6.4 4.7 30.4 55 55 A K T 3 S+ 0 0 81 -41,-1.4 -1,-0.2 1,-0.3 -40,-0.1 -0.359 118.2 16.1 -54.3 120.3 5.0 1.3 31.3 56 56 A G T 3 S+ 0 0 56 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.441 102.9 92.2 97.1 3.1 7.7 -0.7 33.1 57 57 A S < + 0 0 49 -3,-2.0 2,-0.2 2,-0.0 -3,-0.2 -0.208 49.0 164.6-121.6 39.8 9.9 2.3 34.0 58 58 A L + 0 0 24 -5,-0.1 50,-0.4 -11,-0.0 2,-0.3 -0.423 11.1 148.5 -63.7 124.0 8.6 3.2 37.5 59 59 A E - 0 0 63 -2,-0.2 2,-0.5 48,-0.1 -11,-0.5 -0.933 35.5-140.1-160.6 132.9 11.2 5.5 39.3 60 60 A I E - b 0 109A 0 48,-2.6 50,-2.2 -2,-0.3 2,-0.5 -0.856 11.3-161.2-108.5 123.7 10.7 8.3 41.8 61 61 A D E +Ab 45 110A 27 -16,-0.7 -16,-2.2 -2,-0.5 2,-0.4 -0.872 11.5 179.3-104.8 125.3 12.7 11.5 41.8 62 62 A V E -Ab 44 111A 1 48,-2.7 50,-2.4 -2,-0.5 2,-0.4 -0.986 11.4-163.3-124.0 135.3 13.0 13.8 44.9 63 63 A F E -Ab 43 112A 13 -20,-2.4 -20,-1.9 -2,-0.4 2,-0.5 -0.964 15.9-139.6-114.2 131.9 14.9 17.0 45.4 64 64 A L E -Ab 42 113A 0 48,-2.0 50,-2.0 -2,-0.4 2,-0.6 -0.800 17.7-145.2 -91.2 124.6 15.6 18.4 48.9 65 65 A L E +Ab 41 114A 31 -24,-1.9 -24,-0.5 -2,-0.5 50,-0.2 -0.825 22.8 178.1-100.6 120.0 15.1 22.2 49.0 66 66 A F E - b 0 115A 15 48,-1.4 50,-1.5 -2,-0.6 4,-0.1 -0.773 36.3 -79.0-120.7 158.4 17.5 24.2 51.3 67 67 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 -0.169 42.2-118.1 -50.1 148.4 18.1 27.8 52.3 68 68 A E S S+ 0 0 109 48,-0.3 2,-1.2 1,-0.2 47,-0.1 0.775 100.8 70.6 -66.6 -29.7 20.2 29.9 49.8 69 69 A E + 0 0 174 46,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.644 67.6 111.5 -95.5 79.2 23.0 30.5 52.3 70 70 A F - 0 0 72 -2,-1.2 5,-0.1 -4,-0.1 -4,-0.0 -0.971 63.7-117.3-141.7 137.6 24.8 27.2 52.7 71 71 A S > - 0 0 80 -2,-0.3 4,-0.9 1,-0.1 3,-0.1 0.092 37.1 -91.9 -64.3 179.8 28.3 26.3 51.4 72 72 A K H > S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.880 128.7 35.3 -63.7 -41.1 29.1 23.7 48.8 73 73 A E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.446 104.8 70.7 -94.8 -4.0 29.7 20.9 51.3 74 74 A E H 4 S+ 0 0 105 2,-0.2 4,-0.5 3,-0.2 -2,-0.2 0.721 107.8 39.4 -74.7 -25.1 26.9 22.2 53.6 75 75 A L H X S+ 0 0 17 -4,-0.9 4,-0.7 -3,-0.2 -2,-0.2 0.673 118.3 49.2 -89.9 -25.2 24.6 21.0 50.9 76 76 A R H X S+ 0 0 88 -4,-0.5 4,-1.6 3,-0.2 -2,-0.2 0.939 116.8 36.3 -80.2 -51.9 26.7 17.8 50.2 77 77 A E H X S+ 0 0 135 -4,-2.0 4,-1.6 2,-0.2 -3,-0.2 0.930 124.7 40.2 -69.3 -48.0 27.1 16.5 53.8 78 78 A R H > S+ 0 0 120 -4,-0.5 4,-1.3 -5,-0.4 -1,-0.2 0.880 113.7 53.7 -70.1 -41.6 23.7 17.5 55.1 79 79 A G H X S+ 0 0 0 -4,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.871 108.9 49.1 -61.4 -39.9 21.8 16.5 51.9 80 80 A L H X S+ 0 0 17 -4,-1.6 4,-1.5 1,-0.2 5,-0.2 0.917 102.5 62.9 -64.6 -45.0 23.3 13.0 52.0 81 81 A E H X S+ 0 0 107 -4,-1.6 4,-0.7 1,-0.2 3,-0.3 0.871 106.1 44.0 -47.2 -48.2 22.4 12.5 55.7 82 82 A I H >X S+ 0 0 4 -4,-1.3 4,-1.2 1,-0.2 3,-0.6 0.879 109.9 56.2 -69.1 -39.8 18.7 12.8 54.9 83 83 A G H 3X S+ 0 0 0 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.738 107.5 48.8 -62.5 -25.6 18.9 10.5 51.8 84 84 A K H 3< S+ 0 0 100 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.633 110.5 50.6 -88.6 -19.5 20.5 7.7 53.9 85 85 A A H << S+ 0 0 67 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.698 110.7 48.6 -86.8 -22.6 17.8 7.9 56.6 86 86 A V H < S+ 0 0 2 -4,-1.2 2,-0.3 -51,-0.0 -2,-0.2 0.615 97.0 73.9 -99.8 -17.7 14.9 7.8 54.2 87 87 A L S < S- 0 0 11 -4,-0.6 17,-0.2 1,-0.1 3,-0.1 -0.783 71.0-136.2-103.7 145.0 15.7 4.8 52.0 88 88 A D S S- 0 0 90 15,-2.1 2,-0.3 -2,-0.3 16,-0.1 0.874 94.9 -4.0 -56.8 -43.7 15.6 1.1 52.8 89 89 A S E S-C 103 0A 68 14,-0.8 14,-1.4 -3,-0.0 2,-0.3 -0.948 77.8-168.2-145.6 160.8 18.9 0.7 51.1 90 90 A Y E -C 102 0A 100 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.945 17.0-157.3-152.1 174.3 21.2 3.0 49.1 91 91 A E E -C 101 0A 104 10,-1.3 10,-2.4 -2,-0.3 2,-1.2 -0.973 29.6-121.5-152.2 133.5 24.2 3.6 46.8 92 92 A I E -C 100 0A 85 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.700 40.7-177.4 -83.1 100.1 26.3 6.8 46.3 93 93 A R E -C 99 0A 101 6,-1.2 6,-1.5 -2,-1.2 2,-0.4 -0.473 17.7-141.1 -90.1 167.7 25.9 7.5 42.6 94 94 A Y E +C 98 0A 171 4,-0.2 -2,-0.0 -2,-0.1 6,-0.0 -0.860 34.2 153.5-137.2 99.7 27.6 10.3 40.7 95 95 A A S S- 0 0 61 2,-0.6 -1,-0.1 -2,-0.4 0, 0.0 0.915 90.1 -51.6 -84.5 -58.2 25.8 12.3 37.9 96 96 A E S S+ 0 0 104 1,-0.8 3,-0.0 29,-0.0 -2,-0.0 0.277 135.9 24.3-141.1 -60.2 27.8 15.5 38.3 97 97 A H S S- 0 0 71 1,-0.1 -1,-0.8 -21,-0.0 -2,-0.6 -0.913 109.3 -86.9-102.1 142.2 27.7 16.3 42.0 98 98 A P E +C 94 0A 26 0, 0.0 2,-0.2 0, 0.0 -4,-0.2 -0.119 51.5 173.6 -54.3 136.8 27.0 13.2 44.2 99 99 A Y E -C 93 0A 43 -6,-1.5 -6,-1.2 13,-0.1 2,-0.5 -0.792 31.0-103.4-129.6 179.0 23.4 12.0 44.9 100 100 A V E -CD 92 111A 1 11,-2.2 11,-2.5 -2,-0.2 2,-0.4 -0.906 26.7-172.5-106.7 129.4 21.8 9.1 46.6 101 101 A H E +CD 91 110A 10 -10,-2.4 -10,-1.3 -2,-0.5 9,-0.2 -0.994 28.6 122.8-117.9 131.2 20.1 6.2 44.7 102 102 A G E -CD 90 109A 2 7,-2.5 7,-2.4 -2,-0.4 2,-0.3 -0.714 48.8 -86.9-155.4-153.6 18.1 3.5 46.7 103 103 A V E -CD 89 108A 43 -14,-1.4 -15,-2.1 5,-0.2 -14,-0.8 -0.963 17.0-169.9-138.4 144.5 14.8 1.7 47.2 104 104 A V S S- 0 0 0 3,-1.8 3,-0.4 -2,-0.3 -73,-0.1 -0.944 83.3 -19.8-137.5 117.6 11.6 2.2 49.1 105 105 A K S S- 0 0 110 -2,-0.4 -78,-0.1 1,-0.2 -79,-0.1 0.909 130.9 -48.8 48.5 46.7 9.1 -0.6 49.3 106 106 A G S S+ 0 0 45 1,-0.2 2,-0.4 -79,-0.1 -1,-0.2 0.761 114.4 114.7 69.5 30.1 10.7 -2.2 46.2 107 107 A V - 0 0 6 -3,-0.4 -3,-1.8 -80,-0.1 -1,-0.2 -0.994 68.2-113.5-136.5 128.5 10.7 1.0 44.1 108 108 A E E - D 0 103A 97 -50,-0.4 -48,-2.6 -2,-0.4 2,-0.3 -0.320 37.4-179.5 -61.0 133.5 13.8 2.9 42.8 109 109 A V E -bD 60 102A 0 -7,-2.4 -7,-2.5 -50,-0.2 2,-0.4 -0.998 17.0-158.1-135.6 137.7 14.2 6.4 44.2 110 110 A D E -bD 61 101A 16 -50,-2.2 -48,-2.7 -2,-0.3 2,-0.5 -0.974 7.1-163.3-111.3 131.6 16.8 9.1 43.6 111 111 A V E -bD 62 100A 3 -11,-2.5 -11,-2.2 -2,-0.4 -48,-0.2 -0.968 11.1-178.8-115.3 118.3 17.4 11.8 46.3 112 112 A V E -b 63 0A 14 -50,-2.4 -48,-2.0 -2,-0.5 2,-0.4 -0.963 15.3-145.9-120.1 123.0 19.2 15.0 45.1 113 113 A P E +b 64 0A 22 0, 0.0 2,-0.3 0, 0.0 -48,-0.1 -0.725 33.2 141.6 -86.1 136.1 20.1 18.0 47.3 114 114 A C E -b 65 0A 1 -50,-2.0 -48,-1.4 -2,-0.4 14,-0.0 -0.956 46.0 -70.1-157.7 179.8 20.2 21.5 46.0 115 115 A Y E -b 66 0A 34 -2,-0.3 2,-0.6 -50,-0.2 -47,-0.1 -0.134 30.7-126.6 -70.5 165.4 19.3 25.2 46.7 116 116 A K - 0 0 89 -50,-1.5 2,-0.4 -51,-0.1 -48,-0.3 -0.785 40.3-178.5-110.3 81.5 15.9 26.9 47.1 117 117 A L - 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0 0 11 -3,-0.2 4,-1.9 3,-0.2 5,-0.4 0.130 52.1 -89.4 94.1 145.3 40.5 3.3 27.1 402 402 A K H > S+ 0 0 151 3,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.917 121.9 22.0 -51.3 -55.3 41.8 3.4 30.7 403 403 A N H > S+ 0 0 36 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.893 123.5 51.8 -89.4 -41.9 39.9 0.3 32.0 404 404 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -3,-0.2 0.937 113.0 48.9 -55.2 -47.5 39.2 -1.6 28.8 405 405 A G H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.908 108.4 52.0 -59.7 -45.1 42.9 -1.3 27.9 406 406 A E H X S+ 0 0 78 -4,-1.2 4,-1.2 -5,-0.4 -1,-0.2 0.880 110.2 50.0 -63.2 -33.7 44.1 -2.5 31.4 407 407 A S H >X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 3,-0.7 0.952 108.8 50.4 -68.7 -46.7 41.8 -5.5 31.0 408 408 A I H 3< S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 105.4 58.9 -58.1 -36.2 43.2 -6.4 27.5 409 409 A R H 3< S+ 0 0 158 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.864 109.0 44.2 -57.2 -39.4 46.7 -6.1 29.0 410 410 A E H << S- 0 0 159 -4,-1.2 2,-0.3 -3,-0.7 -2,-0.2 0.857 133.0 -15.4 -76.8 -36.7 45.9 -8.9 31.5 411 411 A Y < + 0 0 74 -4,-2.0 -127,-0.4 -127,-0.1 2,-0.3 -0.879 62.9 157.2-170.2 128.2 44.1 -11.3 29.1 412 412 A F - 0 0 41 -2,-0.3 2,-0.3 -3,-0.2 -129,-0.2 -0.978 15.0-161.4-147.9 164.3 42.5 -11.3 25.6 413 413 A E E -J 282 0D 81 -131,-1.8 -131,-2.7 -2,-0.3 2,-0.5 -0.993 15.8-138.2-137.8 143.6 41.7 -13.9 22.9 414 414 A I E -J 281 0D 44 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.914 28.1-170.0-100.5 127.1 41.0 -13.6 19.1 415 415 A I E +J 280 0D 11 -135,-2.5 -135,-2.5 -2,-0.5 2,-0.3 -0.970 11.9 163.8-123.9 133.7 38.1 -15.9 18.1 416 416 A S E >> +J 279 0D 36 -2,-0.4 3,-0.9 -137,-0.2 4,-0.6 -0.897 44.5 1.3-132.3 163.7 36.8 -16.8 14.6 417 417 A G H >> S- 0 0 28 -139,-0.6 4,-1.9 -2,-0.3 3,-0.6 -0.154 120.6 -1.7 70.7-144.0 34.6 -19.5 13.0 418 418 A E H 34 S+ 0 0 86 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.788 134.3 55.2 -61.4 -27.7 32.7 -22.2 14.8 419 419 A K H X4 S+ 0 0 124 -3,-0.9 3,-0.8 2,-0.2 -1,-0.3 0.904 107.1 50.3 -66.1 -41.6 34.3 -21.0 18.1 420 420 A L H X< S+ 0 0 0 -3,-0.6 3,-1.6 -4,-0.6 5,-0.3 0.881 102.3 58.6 -67.3 -41.2 32.8 -17.5 17.4 421 421 A F T 3< S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.3 5,-0.2 0.640 100.2 60.3 -65.4 -14.0 29.3 -18.6 16.7 422 422 A K T < S+ 0 0 166 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.444 88.0 84.3 -91.4 -5.9 29.2 -20.3 20.2 423 423 A E S X S- 0 0 41 -3,-1.6 2,-2.1 -4,-0.2 3,-0.6 -0.574 101.3 -95.4 -89.2 163.3 29.8 -17.0 22.2 424 424 A P T 3 S+ 0 0 61 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.350 101.6 92.0 -79.8 62.9 26.7 -14.8 22.9 425 425 A V T 3> + 0 0 0 -2,-2.1 4,-2.4 -5,-0.3 3,-0.4 0.340 41.0 106.6-133.4 0.9 27.3 -12.5 19.9 426 426 A T H <> S+ 0 0 40 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.856 82.7 53.2 -58.9 -34.8 25.2 -14.1 17.1 427 427 A A H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.2 45.9 -66.9 -38.6 22.6 -11.2 17.4 428 428 A E H > S+ 0 0 52 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.866 112.0 52.0 -74.0 -38.8 25.2 -8.5 17.0 429 429 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.935 109.3 50.2 -58.3 -48.4 26.9 -10.3 14.1 430 430 A C H X>S+ 0 0 4 -4,-2.3 5,-2.5 1,-0.2 4,-0.6 0.913 113.0 45.5 -59.3 -45.2 23.5 -10.6 12.3 431 431 A E H ><5S+ 0 0 139 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.906 110.8 53.5 -63.8 -40.4 22.7 -6.9 12.7 432 432 A M H 3<5S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 114.1 42.4 -67.1 -28.7 26.3 -5.9 11.7 433 433 A M H 3<5S- 0 0 11 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.443 110.6-118.6 -99.4 -2.3 25.9 -7.9 8.4 434 434 A G T <<5 - 0 0 57 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.1 0.838 43.7-176.0 66.3 36.3 22.4 -6.8 7.6 435 435 A V < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.424 13.1-140.9 -65.9 136.1 21.0 -10.3 7.8 436 436 A K 0 0 172 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.484 360.0 360.0 -94.2 168.1 17.3 -10.6 6.9 437 437 A D 0 0 179 -2,-0.1 -1,-0.1 0, 0.0 -177,-0.0 -0.261 360.0 360.0 -62.8 360.0 14.5 -12.7 8.4