==== 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 21-MAY-03 1UEU . COMPND 2 MOLECULE: TRNA NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR O.NUREKI,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RS . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.5 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 . 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 32.9 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 0 0 1 0 3 2 0 3 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 2 2 1 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 2 A K > 0 0 158 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -61.7 -6.1 19.2 10.3 2 3 A V H >> + 0 0 22 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.910 360.0 52.6 -49.7 -50.0 -3.2 20.9 12.1 3 4 A E H 3> S+ 0 0 114 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.842 108.0 52.5 -58.7 -34.9 -5.5 22.0 15.0 4 5 A E H 3> S+ 0 0 101 -3,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.809 110.1 47.8 -70.5 -31.0 -6.6 18.4 15.3 5 6 A I H < S+ 0 0 112 -4,-1.2 3,-0.9 -3,-0.2 4,-0.3 0.795 107.2 64.6 -78.8 -28.1 -3.8 15.1 20.3 9 10 A A H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-1.7 0.837 90.3 68.2 -61.5 -31.9 -0.3 16.5 20.9 10 11 A L H 3X S+ 0 0 50 -4,-1.1 4,-2.6 1,-0.3 -1,-0.2 0.859 90.9 60.1 -57.6 -33.2 -1.6 17.9 24.1 11 12 A E H <4 S+ 0 0 146 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.660 109.0 44.3 -70.3 -14.9 -2.1 14.4 25.5 12 13 A L H <4 S+ 0 0 63 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.758 120.9 36.1 -96.6 -31.6 1.7 13.9 25.1 13 14 A V H < S+ 0 0 3 -4,-1.7 41,-2.3 40,-0.1 -2,-0.2 0.744 95.3 85.6 -95.9 -26.9 2.9 17.2 26.5 14 15 A I S < S- 0 0 52 -4,-2.6 39,-0.1 -5,-0.2 37,-0.0 -0.687 79.7-124.0 -83.6 123.2 0.5 18.0 29.3 15 16 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 39,-0.1 0.446 30.2-103.8 -45.4-166.2 1.5 16.3 32.6 16 17 A D >>> - 0 0 51 1,-0.1 3,-4.8 0, 0.0 4,-2.7 -0.987 18.4-107.9-143.0 148.5 -0.7 14.0 34.6 17 18 A E T 345S+ 0 0 156 -2,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.697 118.8 52.8 -29.5 -39.1 -2.8 13.8 37.6 18 19 A E T 345S+ 0 0 104 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.477 117.1 35.9 -86.8 -2.6 -0.2 11.6 39.3 19 20 A E T <>5S+ 0 0 20 -3,-4.8 4,-1.6 2,-0.2 -2,-0.2 0.539 114.1 54.0-119.3 -22.2 2.7 14.0 38.7 20 21 A V H X5S+ 0 0 58 -4,-2.7 4,-0.6 2,-0.2 -3,-0.2 0.576 109.1 56.4 -83.2 -10.5 0.6 17.2 39.2 21 22 A R H > S+ 0 0 94 -4,-0.2 4,-2.5 1,-0.2 5,-0.3 0.894 112.7 50.6 -67.3 -38.7 3.5 15.0 43.5 23 24 A G H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.791 109.7 49.9 -70.8 -28.2 4.2 18.6 42.6 24 25 A R H X S+ 0 0 147 -4,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.808 114.5 44.9 -79.7 -28.1 1.3 19.9 44.6 25 26 A E H X S+ 0 0 97 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.971 114.3 45.7 -76.4 -58.1 2.3 17.8 47.7 26 27 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 74,-0.2 -2,-0.2 0.808 111.4 55.9 -55.8 -33.4 6.0 18.6 47.6 27 28 A E H X S+ 0 0 46 -4,-1.1 4,-2.1 -5,-0.3 5,-0.2 0.980 108.2 43.6 -66.1 -56.9 5.2 22.3 47.1 28 29 A E H X S+ 0 0 137 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.937 117.0 48.8 -53.5 -48.6 3.0 22.9 50.1 29 30 A E H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.921 109.1 51.4 -58.0 -47.6 5.4 20.9 52.3 30 31 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.845 110.1 50.1 -61.2 -33.5 8.4 22.8 51.0 31 32 A R H X S+ 0 0 81 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.897 108.7 52.7 -71.4 -38.2 6.6 26.1 51.9 32 33 A R H X S+ 0 0 116 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.9 44.8 -62.7 -45.2 5.8 24.8 55.3 33 34 A R H X S+ 0 0 46 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.858 117.0 46.6 -68.1 -33.9 9.5 24.0 55.9 34 35 A L H <>S+ 0 0 0 -4,-1.9 5,-2.2 -5,-0.2 4,-0.3 0.883 111.9 48.9 -75.8 -38.3 10.6 27.3 54.5 35 36 A D H ><5S+ 0 0 88 -4,-3.6 3,-2.3 1,-0.2 -2,-0.2 0.927 103.1 59.6 -69.2 -43.4 8.1 29.4 56.4 36 37 A E H 3<5S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.8 48.9 -53.6 -33.9 8.8 27.9 59.8 37 38 A L T 3<5S- 0 0 83 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.598 115.0-121.7 -80.6 -10.6 12.4 29.0 59.4 38 39 A G T < 5 + 0 0 59 -3,-2.3 2,-0.3 -4,-0.3 -3,-0.2 0.880 52.5 169.0 70.9 39.8 11.1 32.5 58.4 39 40 A V < - 0 0 12 -5,-2.2 2,-0.7 38,-0.0 -1,-0.2 -0.614 36.6-132.9 -91.0 146.7 12.9 32.3 55.1 40 41 A E + 0 0 87 -2,-0.3 24,-2.7 24,-0.3 2,-0.3 -0.858 47.7 143.8 -95.1 111.6 12.4 34.7 52.1 41 42 A Y E -A 63 0A 38 -2,-0.7 2,-0.3 22,-0.2 22,-0.2 -0.910 34.2-156.1-144.0 171.6 12.0 32.7 49.0 42 43 A V E -A 62 0A 42 20,-1.3 20,-2.0 -2,-0.3 2,-0.4 -0.943 23.7-125.8-153.8 128.2 10.1 32.6 45.6 43 44 A F E +A 61 0A 9 -2,-0.3 18,-0.2 18,-0.2 16,-0.0 -0.637 36.8 167.0 -71.8 129.7 9.3 29.6 43.4 44 45 A V + 0 0 8 16,-2.6 17,-0.1 -2,-0.4 -1,-0.1 0.219 30.7 104.0-132.5 11.9 10.7 30.5 39.9 45 46 A G S S- 0 0 4 15,-0.6 4,-0.5 1,-0.1 6,-0.1 -0.147 90.5 -89.4 -90.9-170.4 10.7 27.4 37.7 46 47 A S S > >S+ 0 0 27 1,-0.2 5,-2.4 2,-0.2 3,-1.2 0.850 130.8 59.9 -58.6 -32.8 8.6 26.1 34.9 47 48 A Y G > 5S+ 0 0 27 11,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.926 95.7 58.6 -62.4 -44.5 6.7 24.6 37.9 48 49 A A G 3 5S+ 0 0 30 1,-0.3 -1,-0.3 12,-0.1 -2,-0.2 0.606 116.1 35.3 -60.3 -13.0 6.0 28.1 39.3 49 50 A R G < 5S- 0 0 22 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.166 107.0-120.8-125.6 12.7 4.2 28.9 36.0 50 51 A N T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 -4,-0.2 -4,-0.1 0.842 79.6 121.7 49.1 33.8 2.7 25.5 35.2 51 52 A T < + 0 0 0 -5,-2.4 2,-0.2 -6,-0.1 -4,-0.2 0.216 34.7 128.3-106.3 15.1 4.7 25.4 31.9 52 53 A W - 0 0 10 -6,-0.6 5,-0.1 -5,-0.1 3,-0.1 -0.509 61.9-114.7 -80.6 138.4 6.5 22.2 32.8 53 54 A L > - 0 0 11 -2,-0.2 3,-2.4 3,-0.2 -39,-0.2 -0.351 43.3 -86.6 -68.8 144.6 6.5 19.4 30.2 54 55 A K T 3 S+ 0 0 87 -41,-2.3 -1,-0.1 1,-0.3 -40,-0.1 -0.261 115.9 14.5 -51.9 131.8 4.8 16.1 31.1 55 56 A G T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 -39,-0.1 -2,-0.1 0.442 105.0 95.0 81.6 1.7 7.2 13.8 33.0 56 57 A S < + 0 0 39 -3,-2.4 -3,-0.2 2,-0.0 -2,-0.1 -0.060 50.9 158.9-116.5 32.0 9.6 16.7 33.7 57 58 A L + 0 0 30 -5,-0.1 46,-0.4 -11,-0.0 2,-0.3 -0.331 7.8 140.8 -61.0 131.0 8.5 17.8 37.1 58 59 A E - 0 0 74 44,-0.1 -11,-0.5 -2,-0.1 2,-0.4 -0.933 38.0-132.1-167.9 145.3 11.0 19.7 39.3 59 60 A I E - b 0 104A 0 44,-2.9 46,-3.4 -2,-0.3 2,-0.5 -0.874 10.1-162.0-112.1 137.2 10.9 22.7 41.7 60 61 A D E - b 0 105A 25 -2,-0.4 -16,-2.6 44,-0.2 -15,-0.6 -0.945 10.1-179.9-119.2 115.9 13.1 25.8 41.8 61 62 A V E -Ab 43 106A 0 44,-3.0 46,-3.2 -2,-0.5 2,-0.5 -0.950 9.6-161.3-116.7 126.5 13.3 27.9 44.9 62 63 A F E -Ab 42 107A 14 -20,-2.0 -20,-1.3 -2,-0.5 2,-0.4 -0.934 11.0-144.8-110.2 126.9 15.4 30.9 45.1 63 64 A L E -Ab 41 108A 0 44,-2.7 46,-2.6 -2,-0.5 2,-0.5 -0.767 17.8-131.5 -92.4 131.9 16.3 32.3 48.5 64 65 A L E + b 0 109A 24 -24,-2.7 46,-0.3 -2,-0.4 -24,-0.3 -0.749 27.2 177.3 -91.7 120.7 16.6 36.1 48.8 65 66 A F - 0 0 6 44,-2.1 6,-0.0 -2,-0.5 47,-0.0 -0.982 22.4-130.1-130.0 132.8 19.6 37.7 50.5 66 67 A P - 0 0 74 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.902 61.7 -53.2 -35.2-116.3 20.5 41.5 50.9 67 68 A E S S+ 0 0 157 43,-0.1 2,-0.1 45,-0.0 43,-0.0 -0.040 99.8 107.1-131.9 28.9 23.9 42.9 50.0 68 69 A E - 0 0 89 1,-0.1 3,-0.1 0, 0.0 -3,-0.1 -0.338 61.5-129.7 -98.2-176.6 26.1 40.6 52.1 69 70 A F S S+ 0 0 133 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.785 71.4 62.4-122.5 -20.3 28.3 37.8 50.8 70 71 A S + 0 0 85 1,-0.1 2,-0.8 2,-0.0 3,-0.2 -0.643 39.7 176.5-122.6 97.1 28.3 34.3 52.1 71 72 A K >> + 0 0 31 -2,-0.8 3,-3.2 1,-0.3 4,-0.8 -0.083 39.3 129.1 -67.6 25.5 25.1 32.5 51.6 72 73 A E H 3> + 0 0 118 -2,-0.8 4,-1.5 1,-0.3 -1,-0.3 0.526 65.4 77.3 -63.4 -3.8 26.6 29.3 53.0 73 74 A E H 3> S+ 0 0 80 -3,-0.2 4,-4.2 2,-0.2 -1,-0.3 0.819 85.8 56.5 -72.9 -33.7 23.4 29.9 54.9 74 75 A L H <> S+ 0 0 1 -3,-3.2 4,-3.1 2,-0.3 5,-0.4 0.924 101.1 54.4 -63.7 -42.8 21.7 28.5 51.8 75 76 A R H X S+ 0 0 79 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.942 114.7 44.2 -51.0 -46.3 23.8 25.4 52.2 76 77 A E H X S+ 0 0 97 -4,-1.5 4,-1.7 2,-0.2 -2,-0.3 0.965 114.2 45.6 -64.3 -56.4 22.3 25.4 55.6 77 78 A R H < S+ 0 0 33 -4,-4.2 4,-0.4 2,-0.2 5,-0.2 0.919 113.3 49.8 -55.5 -50.2 18.7 26.2 54.7 78 79 A G H >X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 3,-2.4 0.957 110.1 48.9 -53.0 -56.8 18.5 23.8 51.8 79 80 A L H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.828 111.0 53.6 -53.5 -32.3 19.9 20.9 53.8 80 81 A E T 3< S+ 0 0 112 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.465 118.1 33.0 -84.3 -2.6 17.4 21.8 56.5 81 82 A I T <4 S+ 0 0 1 -3,-2.4 2,-0.4 -4,-0.4 -2,-0.2 0.559 101.7 81.1-124.6 -18.6 14.4 21.7 54.1 82 83 A G < - 0 0 15 -4,-2.7 17,-0.2 -5,-0.2 -1,-0.1 -0.789 66.1-146.6 -95.8 130.8 15.3 19.0 51.6 83 84 A K S S+ 0 0 128 15,-1.7 2,-0.3 -2,-0.4 16,-0.2 0.883 90.4 14.6 -59.8 -39.2 14.7 15.3 52.6 84 85 A A E S-C 98 0A 52 14,-1.0 14,-0.8 -3,-0.1 2,-0.3 -0.892 81.8-164.1-130.8 161.5 17.8 14.3 50.5 85 86 A V E +C 97 0A 61 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.988 19.4 178.5-154.3 159.5 20.6 16.5 49.2 86 87 A L E -C 96 0A 103 10,-1.3 10,-2.2 -2,-0.3 2,-0.9 -0.985 31.3-121.4-155.8 146.4 23.5 17.0 46.8 87 88 A D E -C 95 0A 62 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.817 28.7-166.1 -98.8 104.6 25.8 19.9 46.1 88 89 A S E C 94 0A 36 6,-2.1 6,-2.1 -2,-0.9 -2,-0.0 -0.737 360.0 360.0 -91.5 133.4 25.6 20.9 42.4 89 90 A Y 0 0 190 -2,-0.4 -1,-0.2 4,-0.2 -2,-0.0 0.674 360.0 360.0-105.9 360.0 28.3 23.2 41.1 90 ! 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 91 96 A E 0 0 121 0, 0.0 31,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -8.9 28.7 31.0 43.0 92 97 A H + 0 0 119 29,-0.1 2,-0.2 2,-0.0 -4,-0.1 0.636 360.0 113.0-106.2 -23.9 27.2 28.0 41.3 93 98 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.327 41.5 157.6 -57.5 121.5 27.0 25.6 44.3 94 99 A Y E -C 88 0A 71 -6,-2.1 -6,-2.1 -2,-0.2 2,-0.5 -0.889 42.6 -98.8-139.4 170.0 23.4 24.9 45.2 95 100 A V E +CD 87 106A 4 11,-1.9 11,-3.0 -2,-0.3 2,-0.4 -0.796 33.6 179.5 -95.3 128.2 21.3 22.3 47.0 96 101 A H E +CD 86 105A 37 -10,-2.2 -10,-1.3 -2,-0.5 2,-0.2 -0.993 25.5 120.4-124.7 135.7 19.5 19.7 45.0 97 102 A G E -CD 85 104A 8 7,-2.0 7,-2.1 -2,-0.4 2,-0.3 -0.750 53.6 -85.1-161.5-149.9 17.4 17.1 46.7 98 103 A V E -CD 84 103A 47 -14,-0.8 -15,-1.7 5,-0.2 -14,-1.0 -0.980 22.7-171.7-141.0 148.9 13.9 15.7 47.0 99 104 A V E > S- D 0 102A 1 3,-2.0 3,-1.6 -2,-0.3 -69,-0.1 -0.939 83.0 -10.8-144.5 116.9 10.9 16.6 49.1 100 105 A K T 3 S- 0 0 61 -2,-0.4 -74,-0.2 1,-0.3 -75,-0.1 0.816 130.2 -57.8 62.7 29.1 7.9 14.4 49.1 101 106 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -75,-0.1 -1,-0.3 0.083 112.7 117.6 90.7 -24.2 9.5 12.5 46.2 102 107 A V E < - 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0 0 38 -2,-0.3 2,-0.3 -129,-0.2 -129,-0.2 -0.968 18.5-154.8-161.8 162.6 42.7 3.8 25.3 408 413 A E E -J 277 0D 60 -131,-1.7 -131,-2.9 -2,-0.3 2,-0.6 -0.997 16.9-132.3-146.0 146.4 42.1 1.4 22.4 409 414 A I E -J 276 0D 37 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.889 33.6-174.8 -94.4 126.7 41.3 1.8 18.8 410 415 A I E +J 275 0D 2 -135,-2.5 -135,-2.4 -2,-0.6 2,-0.3 -0.934 10.7 159.9-125.6 145.5 38.5 -0.7 17.9 411 416 A S E >> +J 274 0D 52 -2,-0.4 4,-0.7 -137,-0.2 3,-0.7 -0.896 41.2 25.5-148.9 177.1 36.9 -1.6 14.6 412 417 A G H >> S- 0 0 31 -139,-0.6 4,-2.2 -2,-0.3 3,-0.6 -0.182 118.9 -16.1 63.3-152.1 34.8 -4.3 12.9 413 418 A E H 3> S+ 0 0 75 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.873 134.8 61.4 -53.8 -39.9 32.6 -6.7 14.8 414 419 A K H <> S+ 0 0 95 -3,-0.7 4,-0.8 1,-0.2 3,-0.3 0.915 106.5 45.5 -53.4 -46.3 34.3 -5.7 18.0 415 420 A L H X< S+ 0 0 0 -4,-0.7 3,-1.1 -3,-0.6 5,-0.3 0.917 108.5 56.6 -64.5 -44.6 33.1 -2.1 17.5 416 421 A F H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 101.0 58.4 -60.1 -25.8 29.6 -3.2 16.6 417 422 A K H 3< S+ 0 0 170 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.799 89.6 88.1 -73.4 -29.3 29.3 -5.0 19.9 418 423 A E S X< S- 0 0 32 -3,-1.1 2,-2.1 -4,-0.8 3,-0.5 -0.279 98.4 -99.7 -66.8 158.4 30.0 -1.8 21.9 419 424 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.305 99.9 93.9 -77.7 57.0 26.9 0.4 22.8 420 425 A V T 3> + 0 0 0 -2,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.202 41.9 110.1-131.8 11.0 27.5 2.9 20.0 421 426 A T H <> S+ 0 0 43 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.899 78.5 53.6 -58.9 -42.4 25.3 1.4 17.3 422 427 A A H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 112.1 44.8 -57.8 -44.6 22.8 4.3 17.5 423 428 A E H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.892 111.8 52.5 -66.5 -43.3 25.6 6.8 17.0 424 429 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.952 110.9 46.6 -55.4 -51.2 27.2 4.8 14.2 425 430 A C H X>S+ 0 0 2 -4,-2.5 5,-3.1 2,-0.2 4,-0.6 0.896 114.5 46.5 -59.5 -46.0 23.9 4.6 12.2 426 431 A E H ><5S+ 0 0 139 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.2 0.952 111.0 52.9 -61.8 -49.3 23.1 8.3 12.7 427 432 A M H 3<5S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 115.6 40.6 -54.1 -38.9 26.7 9.2 11.7 428 433 A M H 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.9-117.6 -90.3 -1.4 26.4 7.2 8.5 429 434 A G T <<5 + 0 0 56 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.857 47.6 177.7 68.4 33.6 22.8 8.4 7.7 430 435 A V < - 0 0 24 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.479 9.4-159.9 -69.9 136.1 21.4 4.9 8.0 431 436 A K 0 0 170 -2,-0.2 -1,-0.0 -176,-0.0 -5,-0.0 -0.815 360.0 360.0-115.0 165.4 17.7 4.6 7.5 432 437 A D 0 0 172 -2,-0.3 -2,-0.0 0, 0.0 -176,-0.0 -0.334 360.0 360.0 -60.3 360.0 15.0 2.0 8.5