==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-10 3P0B . COMPND 2 MOLECULE: TT1467 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.PIJNING,B.W.DIJKSTRA . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 0 0 2 1 0 2 1 1 0 2 0 0 0 0 1 3 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 3 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 . 4 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 S 0 0 99 0, 0.0 339,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.9 5.2 -35.4 9.9 2 0 A H - 0 0 45 1,-0.1 338,-0.8 337,-0.1 2,-0.1 0.925 360.0-175.4 47.7 52.8 5.0 -38.2 7.4 3 1 A M - 0 0 41 336,-0.1 373,-0.2 337,-0.1 -1,-0.1 -0.429 27.7-111.6 -81.5 149.9 3.2 -35.9 5.0 4 2 A A E -a 376 0A 2 371,-2.5 373,-3.2 336,-0.1 2,-0.6 -0.468 31.9-124.9 -69.1 151.7 1.7 -36.9 1.6 5 3 A R E -ab 377 342A 45 336,-3.0 338,-3.0 371,-0.2 2,-0.6 -0.924 20.2-159.6-104.8 119.1 3.5 -35.3 -1.3 6 4 A F E -ab 378 343A 3 371,-3.0 373,-2.8 -2,-0.6 2,-0.7 -0.876 5.5-170.6-101.6 115.7 1.2 -33.3 -3.6 7 5 A A E - b 0 344A 0 336,-2.8 338,-2.4 -2,-0.6 2,-0.5 -0.868 1.5-169.1-109.6 94.8 2.7 -32.7 -7.1 8 6 A L E - b 0 345A 7 -2,-0.7 50,-2.5 371,-0.4 2,-0.4 -0.741 8.3-171.5 -77.3 127.4 0.6 -30.2 -9.1 9 7 A V E -cb 58 346A 0 336,-2.3 338,-2.5 -2,-0.5 2,-0.6 -0.990 8.1-164.6-125.4 122.5 1.8 -30.3 -12.8 10 8 A L E -cb 59 347A 3 48,-2.7 50,-3.3 -2,-0.4 2,-0.8 -0.941 7.5-154.5-105.9 122.3 0.5 -27.8 -15.3 11 9 A H E -cb 60 348A 3 336,-3.0 338,-2.7 -2,-0.6 2,-0.5 -0.853 11.5-167.1 -95.5 100.4 1.1 -28.6 -19.0 12 10 A A E +c 61 0A 2 48,-2.4 50,-2.1 -2,-0.8 2,-0.3 -0.823 25.0 144.0 -90.8 127.6 1.2 -25.3 -20.9 13 11 A H + 0 0 14 -2,-0.5 337,-0.2 48,-0.2 -2,-0.0 -0.946 23.8 170.5-162.1 138.7 1.0 -25.8 -24.7 14 12 A L - 0 0 25 -2,-0.3 3,-0.1 48,-0.1 -2,-0.0 -0.962 36.7-114.8-141.3 148.0 -0.3 -24.4 -27.9 15 13 A P - 0 0 5 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.109 53.4 -70.1 -69.6 174.8 0.5 -25.6 -31.4 16 14 A Y + 0 0 3 1,-0.2 49,-0.1 434,-0.1 11,-0.1 -0.567 66.9 149.9 -73.0 110.4 2.3 -23.3 -33.8 17 15 A V > + 0 0 0 -2,-0.8 3,-2.1 -3,-0.1 10,-0.4 0.471 25.3 124.1-118.1 -13.5 -0.2 -20.6 -34.7 18 16 A R T 3 S+ 0 0 5 1,-0.3 482,-0.1 -3,-0.1 4,-0.1 -0.298 87.2 0.3 -49.9 131.7 2.2 -17.7 -35.4 19 17 A A T 3 S+ 0 0 24 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.550 105.5 103.2 67.3 10.5 1.6 -16.2 -38.9 20 18 A H S < S- 0 0 44 -3,-2.1 2,-0.2 1,-0.5 -2,-0.1 0.389 93.9 -65.2-108.2 11.3 -1.1 -18.7 -39.7 21 19 A G - 0 0 38 -4,-0.3 6,-3.1 1,-0.1 -1,-0.5 -0.564 41.5-111.0 123.7 165.2 -4.2 -16.5 -39.4 22 20 A M S S+ 0 0 85 1,-0.3 6,-2.1 4,-0.3 7,-0.4 0.904 71.0 60.5 -97.9 -52.6 -5.9 -14.8 -36.5 23 21 A W S S+ 0 0 170 2,-0.2 -1,-0.3 4,-0.1 2,-0.1 -0.902 93.4 0.7-148.6 161.3 -9.3 -16.4 -35.6 24 22 A P S S+ 0 0 88 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.939 140.0 3.4 -64.2 -36.9 -11.3 -18.8 -34.7 25 23 A F S S+ 0 0 83 -2,-0.1 2,-0.3 3,-0.1 -2,-0.2 -0.985 112.3 70.0-117.8 122.5 -8.1 -20.9 -34.4 26 24 A G S >> S- 0 0 0 -2,-0.5 3,-1.7 -4,-0.2 4,-0.8 -0.930 102.0 -18.5 164.9-153.3 -4.9 -19.0 -35.1 27 25 A E H >> S+ 0 0 5 -6,-3.1 4,-2.1 -10,-0.4 3,-0.7 0.831 124.8 64.0 -54.7 -38.1 -2.8 -16.3 -33.3 28 26 A E H 3> S+ 0 0 31 -6,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.823 92.4 64.0 -58.6 -29.0 -5.7 -15.1 -31.1 29 27 A T H <> S+ 0 0 11 -3,-1.7 4,-1.8 -7,-0.4 -1,-0.2 0.926 106.6 44.0 -60.4 -40.1 -5.7 -18.5 -29.5 30 28 A L H S+ 0 0 2 -4,-1.8 5,-2.5 -5,-0.2 4,-2.4 0.892 111.1 53.0 -68.8 -38.3 -3.9 -17.9 -23.3 34 32 A M H <>S+ 0 0 2 -4,-2.7 5,-2.7 3,-0.2 -1,-0.2 0.933 116.8 39.0 -58.1 -45.9 -1.2 -15.3 -22.7 35 33 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.887 127.1 31.0 -71.6 -41.5 -3.8 -12.9 -21.2 36 34 A E H <5S+ 0 0 24 -4,-2.6 324,-0.2 -5,-0.2 -3,-0.2 0.721 134.1 14.4 -99.5 -23.6 -5.9 -15.4 -19.3 37 35 A T T X5S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.3 -3,-0.2 0.767 123.7 40.7-114.6 -57.9 -3.6 -18.1 -18.2 38 36 A Y H > S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 111.2 50.8 -60.1 -36.6 -2.2 -14.4 -14.3 41 39 A L H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.916 107.6 52.9 -66.5 -41.1 0.0 -17.4 -13.4 42 40 A I H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.923 107.6 52.0 -58.3 -41.3 3.1 -15.2 -13.5 43 41 A R H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.874 108.1 51.2 -66.7 -33.4 1.4 -12.8 -11.1 44 42 A V H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.958 111.4 48.0 -61.6 -49.4 0.6 -15.7 -8.7 45 43 A L H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.879 110.7 50.8 -59.9 -40.6 4.3 -16.7 -8.9 46 44 A E H X S+ 0 0 79 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.925 112.8 46.6 -61.6 -45.8 5.4 -13.1 -8.2 47 45 A R H X S+ 0 0 96 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.921 110.8 50.0 -64.2 -47.2 3.1 -12.8 -5.2 48 46 A L H X>S+ 0 0 3 -4,-2.9 5,-2.1 1,-0.2 4,-0.6 0.912 113.7 47.3 -61.7 -39.4 4.0 -16.1 -3.6 49 47 A R H ><5S+ 0 0 104 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.957 112.0 49.5 -63.1 -49.2 7.7 -15.2 -4.0 50 48 A A H 3<5S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.865 116.1 42.4 -56.9 -36.8 7.1 -11.7 -2.5 51 49 A E H 3<5S- 0 0 110 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.426 109.0-120.1 -95.3 -2.0 5.3 -13.1 0.5 52 50 A G T <<5 + 0 0 53 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.752 52.6 163.5 67.3 25.1 7.6 -16.0 1.1 53 51 A V < - 0 0 28 -5,-2.1 2,-0.9 -6,-0.2 -1,-0.2 -0.684 28.2-150.6 -77.6 120.0 4.8 -18.6 0.6 54 52 A E + 0 0 165 -2,-0.5 84,-0.1 -3,-0.1 -1,-0.0 -0.805 48.5 124.3 -98.9 99.0 6.4 -22.0 0.0 55 53 A A - 0 0 7 -2,-0.9 324,-0.1 322,-0.1 316,-0.1 -0.476 38.9-172.5-151.7 68.8 4.1 -24.0 -2.2 56 54 A P + 0 0 28 0, 0.0 -48,-0.3 0, 0.0 2,-0.3 -0.258 7.6 171.2 -73.0 158.1 6.1 -25.2 -5.2 57 55 A F E - d 0 139A 2 81,-0.9 83,-2.2 -50,-0.1 2,-0.4 -0.828 32.1 -97.1-147.1-176.0 4.7 -26.9 -8.3 58 56 A T E -cd 9 140A 0 -50,-2.5 -48,-2.7 -2,-0.3 2,-0.5 -0.939 28.5-169.5-118.7 132.3 5.7 -28.0 -11.7 59 57 A L E -cd 10 141A 2 81,-3.2 83,-2.2 -2,-0.4 2,-0.4 -0.984 6.0-159.3-124.6 122.8 5.1 -26.2 -15.0 60 58 A G E -cd 11 142A 2 -50,-3.3 -48,-2.4 -2,-0.5 2,-0.4 -0.827 6.1-174.9 -92.5 134.7 5.7 -27.5 -18.5 61 59 A I E -c 12 0A 7 81,-1.6 83,-0.2 -2,-0.4 -48,-0.2 -0.961 27.9-131.3-122.6 111.0 6.1 -25.0 -21.3 62 60 A T > - 0 0 1 -50,-2.1 4,-3.0 -2,-0.4 5,-0.2 -0.268 17.7-117.6 -63.5 149.7 6.3 -26.9 -24.5 63 61 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.915 115.4 51.1 -53.4 -41.8 9.2 -25.9 -26.8 64 62 A I H > S+ 0 0 2 82,-1.1 4,-1.4 81,-0.4 5,-0.1 0.869 111.5 47.5 -69.1 -34.0 6.8 -24.8 -29.6 65 63 A L H > S+ 0 0 1 2,-0.2 4,-2.8 -53,-0.2 -1,-0.2 0.950 112.8 49.0 -63.6 -49.3 4.9 -22.7 -27.1 66 64 A A H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.899 106.7 56.2 -59.5 -40.3 8.1 -21.2 -25.7 67 65 A E H < S+ 0 0 17 -4,-2.7 -1,-0.2 -5,-0.2 4,-0.2 0.904 111.9 43.3 -58.5 -39.8 9.4 -20.4 -29.2 68 66 A Q H >< S+ 0 0 1 -4,-1.4 3,-1.6 2,-0.2 6,-0.2 0.920 110.6 53.6 -72.2 -43.2 6.2 -18.4 -29.9 69 67 A L H 3< S+ 0 0 6 -4,-2.8 57,-0.4 1,-0.3 -2,-0.2 0.841 111.6 47.9 -59.4 -33.8 6.2 -16.6 -26.5 70 68 A A T 3< S+ 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 0.447 92.5 109.0 -85.5 1.5 9.8 -15.5 -27.2 71 69 A D <> - 0 0 23 -3,-1.6 4,-2.2 -4,-0.2 5,-0.2 -0.547 66.8-138.1 -90.5 144.6 9.0 -14.3 -30.7 72 70 A A H > S+ 0 0 77 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.861 103.0 51.2 -66.3 -43.8 8.9 -10.6 -31.8 73 71 A R H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 112.3 47.9 -60.9 -43.0 5.8 -10.9 -34.0 74 72 A I H > S+ 0 0 0 -6,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 109.9 51.9 -64.3 -39.7 3.9 -12.6 -31.2 75 73 A K H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 114.7 42.6 -62.7 -46.2 5.1 -9.9 -28.7 76 74 A E H X S+ 0 0 126 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.927 114.3 51.6 -63.6 -44.3 3.8 -7.2 -31.0 77 75 A G H X S+ 0 0 15 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.880 109.4 49.6 -62.9 -38.5 0.6 -9.1 -31.8 78 76 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.937 108.7 52.0 -65.6 -45.1 -0.2 -9.6 -28.1 79 77 A W H X S+ 0 0 99 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.914 113.8 44.5 -56.6 -45.5 0.3 -5.9 -27.4 80 78 A A H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.884 113.1 51.1 -66.6 -41.5 -2.1 -5.0 -30.2 81 79 A Y H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.922 111.8 46.4 -63.5 -44.7 -4.6 -7.7 -29.2 82 80 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.890 111.3 51.9 -69.0 -36.7 -4.7 -6.5 -25.6 83 81 A K H X S+ 0 0 116 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.939 111.7 47.2 -61.6 -47.8 -5.0 -2.8 -26.6 84 82 A D H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 110.6 52.2 -61.7 -41.2 -7.9 -3.8 -28.8 85 83 A R H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 106.9 52.5 -62.9 -38.2 -9.5 -5.8 -26.0 86 84 A L H X S+ 0 0 28 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.924 110.2 48.9 -59.9 -45.1 -9.2 -2.8 -23.6 87 85 A E H X S+ 0 0 84 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.907 110.9 49.7 -63.0 -40.0 -11.0 -0.7 -26.2 88 86 A R H X S+ 0 0 83 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 111.5 49.3 -61.7 -42.8 -13.8 -3.4 -26.6 89 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 20,-0.3 0.898 109.5 51.2 -64.9 -42.6 -14.2 -3.5 -22.8 90 88 A Q H X S+ 0 0 92 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.921 110.7 49.8 -60.5 -41.8 -14.4 0.3 -22.6 91 89 A G H X S+ 0 0 22 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.902 110.3 49.2 -65.1 -39.3 -17.1 0.2 -25.3 92 90 A D H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.889 109.2 52.3 -68.5 -35.1 -19.1 -2.5 -23.5 93 91 A Y H X S+ 0 0 59 -4,-2.4 4,-2.0 12,-0.3 -2,-0.2 0.924 108.0 52.7 -64.5 -40.6 -18.8 -0.5 -20.2 94 92 A Q H < S+ 0 0 158 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.6 39.3 -56.0 -46.1 -20.2 2.5 -22.2 95 93 A R H < S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.7 40.9 -72.5 -36.6 -23.2 0.3 -23.4 96 94 A Y H >< S+ 0 0 32 -4,-2.9 3,-2.0 -5,-0.1 6,-0.4 0.510 76.4 119.0-102.9 -4.6 -23.8 -1.6 -20.2 97 95 A R T 3< S+ 0 0 163 -4,-2.0 3,-0.1 1,-0.3 4,-0.0 -0.348 83.7 26.1 -54.2 136.5 -23.4 1.0 -17.4 98 96 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.571 111.1 91.6 80.3 9.3 -26.8 1.2 -15.7 99 97 A T S X S- 0 0 67 -3,-2.0 3,-2.1 1,-0.0 -1,-0.3 -0.795 95.2 -95.9-124.6 173.0 -27.6 -2.4 -16.6 100 98 A A T 3 S+ 0 0 77 1,-0.3 4,-0.3 -2,-0.3 3,-0.3 0.642 121.9 59.9 -62.1 -16.6 -27.2 -5.8 -15.0 101 99 A L T 3> S+ 0 0 20 -5,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.360 75.5 97.7 -93.3 5.5 -24.0 -6.2 -17.1 102 100 A E H <> S+ 0 0 41 -3,-2.1 4,-2.9 -6,-0.4 5,-0.2 0.921 80.7 50.0 -61.7 -45.5 -22.3 -3.2 -15.6 103 101 A A H > S+ 0 0 33 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.912 112.2 48.0 -62.4 -44.3 -20.2 -5.1 -13.0 104 102 A S H > S+ 0 0 0 207,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.932 113.5 47.0 -58.6 -47.5 -18.9 -7.6 -15.7 105 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -12,-0.3 0.923 111.5 50.4 -63.1 -43.1 -18.0 -4.7 -18.1 106 104 A R H X S+ 0 0 110 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.919 110.6 50.8 -59.1 -44.6 -16.2 -2.7 -15.3 107 105 A H H X S+ 0 0 40 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.885 106.9 53.7 -61.4 -41.0 -14.2 -5.9 -14.4 108 106 A Q H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.891 107.3 51.0 -63.0 -44.0 -13.2 -6.4 -18.0 109 107 A V H X S+ 0 0 22 -4,-2.0 4,-2.4 -20,-0.3 -2,-0.2 0.957 112.4 46.5 -56.6 -50.1 -11.8 -2.9 -18.3 110 108 A A H X S+ 0 0 51 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 110.8 53.6 -59.5 -41.3 -9.8 -3.4 -15.1 111 109 A F H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 111.0 44.2 -59.9 -46.0 -8.6 -6.8 -16.4 112 110 A W H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.860 111.3 53.4 -75.0 -31.6 -7.2 -5.4 -19.6 113 111 A E H X S+ 0 0 103 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.946 112.6 44.9 -59.6 -49.3 -5.6 -2.4 -17.9 114 112 A L H X S+ 0 0 72 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.903 111.9 53.4 -60.4 -43.4 -3.8 -4.8 -15.6 115 113 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 111.2 44.6 -59.8 -47.7 -2.9 -7.0 -18.5 116 114 A L H X S+ 0 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A E H < S+ 0 0 114 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.893 118.1 43.0 -75.3 -38.3 9.6 -16.3 -42.1 498 503 A R H < S+ 0 0 63 -4,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.891 125.3 33.1 -70.2 -43.8 6.2 -18.0 -41.9 499 504 A D S < S+ 0 0 0 -4,-2.9 -1,-0.3 -5,-0.2 -53,-0.1 -0.783 75.4 152.4-119.4 82.6 7.4 -21.1 -39.9 500 505 A N + 0 0 42 -2,-0.5 -1,-0.1 -3,-0.3 -4,-0.1 0.169 14.7 129.7-115.0 23.4 10.2 -19.9 -37.7 501 506 A P + 0 0 0 0, 0.0 4,-0.1 0, 0.0 -437,-0.1 -0.403 63.5 29.2 -73.5 154.8 10.6 -22.1 -34.5 502 507 A F > - 0 0 3 -439,-0.1 3,-1.8 2,-0.1 -56,-0.1 0.996 55.2-170.4 72.3 72.9 14.0 -23.5 -33.5 503 508 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -61,-0.0 0.735 91.2 46.4 -63.2 -21.6 16.8 -21.1 -34.7 504 509 A E T 3 S+ 0 0 139 -338,-0.1 -2,-0.1 2,-0.1 -335,-0.0 0.070 78.6 160.1-109.7 24.7 19.3 -23.8 -33.8 505 510 A A < - 0 0 5 -3,-1.8 -60,-0.1 -4,-0.1 -59,-0.1 -0.178 28.2-151.5 -48.5 129.4 17.5 -26.8 -35.4 506 511 A D > - 0 0 42 1,-0.1 3,-2.2 -344,-0.1 4,-0.2 -0.862 17.7-171.4-116.0 98.1 20.1 -29.5 -35.8 507 512 A P G > S+ 0 0 6 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.701 80.6 78.5 -61.0 -19.6 19.4 -31.9 -38.8 508 513 A R G > S+ 0 0 179 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.735 75.1 77.4 -57.9 -21.8 22.3 -34.1 -37.5 509 514 A L G X S+ 0 0 20 -3,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.815 82.3 65.4 -61.1 -25.0 19.8 -35.4 -34.9 510 515 A Y G < S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.529 94.0 60.3 -76.4 -1.4 18.3 -37.6 -37.6 511 516 A L G < 0 0 67 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.478 360.0 360.0-100.7 -7.3 21.6 -39.5 -37.7 512 517 A F < 0 0 93 -3,-1.4 -2,-0.1 -4,-0.3 -1,-0.1 0.757 360.0 360.0 -8.8 360.0 21.2 -40.5 -34.1