==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE ACTIVATOR 14-MAR-05 1Z3X . COMPND 2 MOLECULE: PUTATIVE CYTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR P.A.DAVISON,H.L.SCHUBERT,J.D.REID,C.D.IORG,H.ROBINSON, . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 1 2 1 1 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.2 1.7 18.4 68.2 2 -1 A E - 0 0 82 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.823 360.0 -8.5 -67.9 -35.9 2.0 18.7 64.4 3 0 A F S S- 0 0 52 46,-0.0 2,-0.8 0, 0.0 -1,-0.1 -0.953 75.1 -86.2-157.1 171.2 5.4 17.0 64.1 4 1 A X - 0 0 142 -2,-0.3 41,-0.1 1,-0.1 -2,-0.0 -0.819 50.4-111.1 -96.4 104.6 8.4 15.5 65.9 5 2 A V 0 0 106 -2,-0.8 -1,-0.1 1,-0.1 0, 0.0 0.609 360.0 360.0 29.1-159.3 11.3 17.9 66.7 6 3 A T 0 0 53 8,-0.0 -1,-0.1 36,-0.0 5,-0.1 -0.880 360.0 360.0-168.5 360.0 14.8 17.9 65.1 7 ! 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 8 6 A P > 0 0 128 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -17.6 17.9 23.4 66.1 9 7 A A T 3 + 0 0 88 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.702 360.0 46.0 -62.3 -21.5 19.4 25.1 63.1 10 8 A L T 3> S+ 0 0 29 1,-0.1 4,-2.0 2,-0.1 -1,-0.2 0.330 87.5 90.8-102.0 4.0 16.7 23.1 61.3 11 9 A A H <> S+ 0 0 38 -3,-0.8 4,-1.9 2,-0.2 -2,-0.1 0.901 90.3 42.6 -70.7 -42.1 13.8 23.9 63.6 12 10 A D H > S+ 0 0 112 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.871 111.8 56.7 -72.1 -36.0 12.6 26.9 61.7 13 11 A L H > S+ 0 0 26 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.909 107.2 49.4 -58.4 -44.4 13.1 25.1 58.4 14 12 A Q H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.930 110.5 48.0 -61.3 -48.1 10.8 22.3 59.7 15 13 A E H X S+ 0 0 89 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.903 113.3 49.5 -60.2 -41.9 8.0 24.7 60.8 16 14 A Q H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 107.7 54.3 -62.2 -43.7 8.3 26.5 57.4 17 15 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 118.8 33.6 -58.5 -42.6 8.1 23.2 55.5 18 16 A Y H < S+ 0 0 7 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.913 135.2 20.5 -78.6 -44.8 4.8 22.2 57.3 19 17 A N H < S+ 0 0 76 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.435 96.1 106.8-113.2 -3.2 3.1 25.6 57.7 20 18 A G S < S- 0 0 21 -4,-2.2 2,-0.1 -5,-0.3 -4,-0.0 -0.171 74.7 -99.4 -71.5 166.1 4.7 27.9 55.2 21 19 A N > - 0 0 116 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.315 52.7 -89.1 -71.0 172.9 3.3 29.2 52.0 22 20 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 128.3 51.2 -57.0 -43.6 4.4 27.4 48.9 23 21 A K H > S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 112.9 45.7 -60.7 -44.5 7.4 29.5 48.3 24 22 A S H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 111.7 51.6 -65.4 -40.0 8.6 29.1 51.8 25 23 A Q H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.923 110.1 49.1 -62.5 -45.4 8.0 25.3 51.8 26 24 A L H X S+ 0 0 42 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.893 112.5 47.0 -64.2 -40.8 10.0 24.8 48.6 27 25 A A H X S+ 0 0 57 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.917 112.5 51.4 -64.4 -41.7 12.9 26.8 50.0 28 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 110.6 45.6 -63.6 -47.9 12.8 24.9 53.3 29 27 A X H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.879 110.2 55.2 -66.1 -36.5 12.9 21.5 51.7 30 28 A S H < S+ 0 0 64 -4,-1.8 4,-0.5 -5,-0.2 3,-0.2 0.954 112.1 43.5 -58.4 -49.4 15.7 22.5 49.3 31 29 A T H >< S+ 0 0 67 -4,-2.3 3,-1.7 1,-0.2 4,-0.5 0.915 109.5 56.2 -63.9 -42.7 17.8 23.6 52.3 32 30 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.851 98.4 62.7 -57.4 -32.1 16.9 20.5 54.3 33 31 A S T 3< S+ 0 0 21 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.697 103.9 48.5 -68.7 -16.5 18.2 18.3 51.5 34 32 A T T < S+ 0 0 109 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.480 93.4 81.0 -93.4 -7.0 21.6 19.9 52.0 35 33 A A S <> S- 0 0 34 -3,-1.3 4,-1.3 -4,-0.5 3,-0.5 0.016 91.3-131.6 -95.4 26.8 21.4 19.2 55.8 36 34 A G H > - 0 0 33 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 -0.089 61.6 -14.6 67.4-156.0 22.5 15.5 55.8 37 35 A T H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 137.3 48.1 -55.6 -42.5 20.8 12.6 57.5 38 36 A E H > S+ 0 0 73 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.899 109.7 53.4 -67.0 -41.2 18.6 14.8 59.8 39 37 A G H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.930 111.7 44.8 -57.8 -47.9 17.5 17.0 56.9 40 38 A Y H X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 109.1 56.4 -66.2 -36.1 16.3 14.0 54.9 41 39 A H H X S+ 0 0 77 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.911 105.5 51.9 -61.8 -41.1 14.6 12.4 57.9 42 40 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.873 108.6 51.0 -60.3 -40.2 12.6 15.6 58.3 43 41 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.887 108.6 51.5 -65.7 -39.3 11.5 15.4 54.7 44 42 A Q H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 110.6 48.2 -57.8 -49.5 10.4 11.7 55.2 45 43 A E H X S+ 0 0 31 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.889 108.4 55.0 -60.1 -39.6 8.4 12.8 58.2 46 44 A F H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.916 105.1 52.5 -61.5 -44.0 6.9 15.6 56.1 47 45 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.919 114.5 43.2 -55.9 -43.1 5.7 13.2 53.4 48 46 A K H >< S+ 0 0 101 -4,-1.9 3,-0.8 -5,-0.1 -2,-0.2 0.978 120.4 39.8 -63.2 -55.3 4.0 11.1 56.1 49 47 A D H >< S+ 0 0 42 -4,-3.1 3,-1.6 1,-0.2 4,-0.2 0.856 107.3 59.8 -68.2 -40.0 2.5 13.9 58.0 50 48 A S H >< S+ 0 0 4 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.624 83.2 81.9 -72.5 -12.1 1.4 16.2 55.1 51 49 A A T << S+ 0 0 63 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.766 87.4 58.6 -58.7 -24.5 -0.9 13.5 53.6 52 50 A T T < S+ 0 0 110 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.656 78.1 118.3 -81.0 -15.9 -3.5 14.6 56.2 53 51 A F < - 0 0 58 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.258 56.7-134.4 -59.9 134.8 -3.6 18.2 54.9 54 52 A S S S+ 0 0 110 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 -0.993 77.7 35.7-139.9 140.4 -7.0 19.4 53.6 55 53 A P S S- 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.644 109.8 -89.0 -69.9 174.1 -7.9 20.9 51.2 56 54 A P - 0 0 121 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.294 41.7-141.9 -55.9 119.7 -5.4 19.5 48.7 57 55 A P - 0 0 58 0, 0.0 5,-0.1 0, 0.0 -4,-0.0 -0.309 46.3 -66.0 -68.3 165.5 -2.1 21.5 48.6 58 56 A A >> - 0 0 16 1,-0.1 3,-2.0 2,-0.1 4,-0.6 -0.298 49.1-126.4 -56.1 134.1 -0.4 22.0 45.3 59 57 A P H 3> S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.714 103.2 66.7 -61.5 -22.8 0.8 18.6 44.1 60 58 A W H 3> S+ 0 0 45 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.554 87.3 68.6 -77.0 -8.1 4.4 19.8 43.6 61 59 A I H <> S+ 0 0 2 -3,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.977 114.0 27.7 -70.2 -58.2 4.9 20.4 47.4 62 60 A R H X S+ 0 0 49 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.868 121.6 58.8 -66.2 -33.6 4.8 16.6 48.1 63 61 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -3,-0.2 0.940 109.1 41.4 -59.6 -49.2 6.1 16.0 44.5 64 62 A Q H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.843 113.1 53.8 -70.4 -32.6 9.3 18.0 45.1 65 63 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.944 110.6 47.4 -65.0 -44.1 9.7 16.6 48.6 66 64 A Y H X S+ 0 0 21 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.900 110.1 53.5 -59.1 -43.7 9.5 13.1 47.1 67 65 A R H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.917 107.3 50.2 -57.9 -46.4 12.0 14.2 44.4 68 66 A L H < S+ 0 0 23 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.922 114.4 44.6 -61.9 -42.4 14.5 15.4 46.9 69 67 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.919 109.4 56.4 -63.8 -43.8 14.2 12.1 48.8 70 68 A F H 3< S+ 0 0 68 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.847 108.8 47.8 -54.8 -37.2 14.4 10.1 45.6 71 69 A H T 3< S+ 0 0 98 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.437 87.9 115.5 -86.6 0.2 17.7 11.8 44.8 72 70 A S < - 0 0 5 -3,-1.6 6,-0.1 -4,-0.3 -3,-0.0 -0.454 60.0-147.5 -72.0 141.1 19.2 11.1 48.3 73 71 A P + 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.539 63.6 115.8 -80.1 -4.8 22.2 8.8 48.6 74 72 A E > - 0 0 50 1,-0.1 4,-2.0 -5,-0.1 3,-0.3 -0.460 59.5-150.5 -74.7 127.3 21.0 7.5 52.0 75 73 A A H > S+ 0 0 84 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.862 98.1 57.7 -63.1 -35.4 20.1 3.8 52.1 76 74 A S H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 106.8 48.6 -61.6 -38.4 17.6 4.5 54.8 77 75 A V H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.933 110.3 49.5 -69.0 -44.9 15.8 7.0 52.6 78 76 A Q H X S+ 0 0 70 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.896 110.9 50.7 -63.4 -38.1 15.7 4.6 49.6 79 77 A A H X S+ 0 0 40 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.931 109.3 51.3 -60.8 -46.2 14.3 1.9 51.9 80 78 A F H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.930 112.3 46.0 -54.3 -47.6 11.6 4.3 53.2 81 79 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.881 112.9 49.5 -67.6 -38.1 10.6 5.1 49.6 82 80 A Q H < S+ 0 0 139 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.879 115.0 45.4 -64.2 -39.2 10.6 1.4 48.6 83 81 A Q H < S+ 0 0 144 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.824 131.6 15.7 -75.8 -33.4 8.5 0.5 51.6 84 82 A H H < S+ 0 0 113 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.681 133.1 32.3-117.6 -24.8 5.9 3.3 51.3 85 83 A Y >< + 0 0 36 -4,-2.1 3,-2.0 -5,-0.4 -2,-0.1 -0.300 60.4 146.8-133.0 50.5 6.1 4.9 47.9 86 84 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.785 86.2 35.0 -61.7 -27.9 7.1 2.2 45.4 87 85 A Q T 3 S- 0 0 96 1,-0.5 3,-0.3 -3,-0.1 2,-0.1 -0.071 123.3-103.3-113.0 31.5 5.1 3.8 42.6 88 86 A G < - 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0 0 120 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.723 33.9-119.7 -82.5 148.1 -8.3 13.2 16.0 139 137 A F H 3> S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.850 114.5 60.1 -60.1 -31.4 -9.7 16.0 18.1 140 138 A T H 3> S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.863 102.6 51.9 -64.4 -35.1 -12.9 13.9 18.6 141 139 A E H <4 S+ 0 0 37 -3,-0.7 3,-0.5 2,-0.2 4,-0.3 0.882 107.9 52.2 -65.3 -37.3 -10.8 11.2 20.2 142 140 A V H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.912 103.0 57.4 -65.2 -43.7 -9.4 13.9 22.6 143 141 A E H 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 109.1 48.5 -52.7 -29.6 -12.9 15.0 23.6 144 142 A Q T 3< S+ 0 0 150 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.404 78.1 124.5 -99.4 1.6 -13.6 11.4 24.7 145 143 A L S < S- 0 0 8 -3,-1.5 2,-0.1 -4,-0.3 -18,-0.1 -0.313 71.3 -99.8 -61.9 142.3 -10.5 10.7 26.8 146 144 A P > - 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.399 20.6-132.7 -66.4 141.2 -11.4 9.6 30.4 147 145 A I H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 103.5 54.0 -56.7 -50.0 -11.2 12.3 33.1 148 146 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -55,-0.3 0.892 110.0 48.0 -55.8 -42.7 -9.2 10.0 35.6 149 147 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.948 113.2 45.8 -62.6 -50.1 -6.5 9.4 33.0 150 148 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.873 112.7 51.9 -62.7 -37.6 -6.1 13.0 32.0 151 149 A Q H X S+ 0 0 71 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.902 108.9 50.5 -65.4 -40.1 -6.1 14.1 35.7 152 150 A T H X S+ 0 0 3 -4,-2.2 4,-2.3 -59,-0.3 -2,-0.2 0.958 112.7 45.7 -61.1 -49.9 -3.4 11.5 36.4 153 151 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 116.2 45.9 -59.7 -45.4 -1.2 12.7 33.6 154 152 A D H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.905 111.1 51.6 -67.4 -42.3 -1.8 16.4 34.5 155 153 A Q H X S+ 0 0 77 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.881 109.8 50.5 -62.5 -39.4 -1.1 15.8 38.2 156 154 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.947 111.7 47.0 -62.7 -49.5 2.2 14.1 37.4 157 155 A W H < S+ 0 0 0 -4,-2.4 8,-0.4 1,-0.2 4,-0.3 0.923 116.4 44.8 -59.4 -43.9 3.3 16.9 35.2 158 156 A L H ><>S+ 0 0 14 -4,-2.9 5,-2.1 1,-0.2 3,-1.4 0.943 111.7 52.5 -61.4 -48.7 2.3 19.5 37.8 159 157 A A H 3<5S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.769 116.1 38.8 -61.0 -31.4 3.9 17.6 40.7 160 158 A F T 3<5S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.237 112.2 55.3-110.4 13.9 7.2 17.3 39.0 161 159 A S T X 5S- 0 0 0 -3,-1.4 3,-2.1 -4,-0.3 -1,-0.2 0.110 109.8-107.3-128.3 18.0 7.5 20.7 37.4 162 160 A L T 3 5S- 0 0 57 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.836 80.4 -59.1 53.3 31.6 7.0 22.9 40.4 163 161 A G T 3 S- 0 0 0 48,-2.3 4,-2.1 -2,-0.3 3,-0.1 -0.508 75.6 -91.0 136.7 157.4 0.6 20.5 32.4 167 165 A Y H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.842 123.7 57.1 -61.8 -35.5 -2.5 20.8 30.3 168 166 A S H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 106.2 49.7 -69.6 -31.0 -4.2 22.6 33.2 169 167 A V H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 110.6 49.7 -68.8 -46.4 -1.4 25.2 33.2 170 168 A Q H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.894 109.7 52.4 -57.7 -40.3 -1.8 25.6 29.4 171 169 A R H X S+ 0 0 42 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.952 110.5 46.8 -59.6 -50.4 -5.6 26.1 29.9 172 170 A Q H X S+ 0 0 124 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.924 113.8 47.4 -61.6 -42.5 -5.1 28.8 32.5 173 171 A L H X S+ 0 0 37 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.903 112.9 50.1 -65.2 -38.7 -2.5 30.6 30.3 174 172 A W H ><>S+ 0 0 7 -4,-2.5 5,-2.5 2,-0.2 3,-0.8 0.931 111.2 46.9 -64.1 -47.8 -4.8 30.4 27.3 175 173 A L H ><5S+ 0 0 55 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.887 112.5 51.7 -62.1 -36.0 -7.8 31.7 29.1 176 174 A G H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.657 102.5 59.7 -74.5 -16.8 -5.6 34.5 30.5 177 175 A C T X<5S- 0 0 11 -4,-0.9 3,-1.4 -3,-0.8 -1,-0.3 0.009 125.2-101.4 -92.0 18.6 -4.4 35.3 26.9 178 176 A G T < 5 - 0 0 52 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.772 66.5 -72.2 60.4 28.3 -8.0 36.1 25.9 179 177 A Q T 3 - 0 0 64 -3,-1.4 4,-1.9 -6,-0.4 -1,-0.2 -0.778 38.6-157.5 -92.0 116.7 -5.9 33.9 21.5 181 179 A W H > S+ 0 0 49 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.886 90.5 56.6 -64.2 -38.0 -3.7 31.1 20.1 182 180 A D H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 109.0 46.8 -60.3 -43.6 -1.1 33.5 18.8 183 181 A R H > S+ 0 0 142 -6,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 110.8 53.7 -61.5 -39.8 -0.6 35.0 22.2 184 182 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 6,-0.2 0.921 103.8 53.8 -63.6 -45.3 -0.4 31.6 23.7 185 183 A W H <>S+ 0 0 14 -4,-2.5 5,-2.8 1,-0.2 6,-0.4 0.867 113.4 43.8 -59.9 -37.7 2.4 30.3 21.4 186 184 A E H ><5S+ 0 0 128 -4,-1.5 3,-0.8 -5,-0.2 -1,-0.2 0.913 112.7 52.3 -70.1 -43.8 4.5 33.3 22.4 187 185 A K H 3<5S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.9 38.5 -59.5 -44.1 3.6 33.0 26.1 188 186 A I T 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.361 114.9-108.8 -96.1 6.8 4.6 29.3 26.3 189 187 A G T < 5S+ 0 0 27 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.826 74.3 133.5 75.7 32.2 7.6 29.4 24.1 190 188 A W < + 0 0 7 -5,-2.8 2,-0.4 -6,-0.2 -4,-0.2 0.089 50.1 86.1-102.4 24.7 6.3 27.6 21.0 191 189 A R - 0 0 64 -6,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.980 47.8-174.2-123.3 137.6 7.6 30.1 18.4 192 190 A Q B > -A 195 0A 81 3,-2.9 3,-1.5 -2,-0.4 2,-0.6 -0.790 69.0 -70.8-123.5 84.6 11.0 30.4 16.8 193 191 A G T 3 S- 0 0 67 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.572 115.5 -11.2 67.9-113.2 10.7 33.6 14.8 194 192 A K T 3 S+ 0 0 203 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.272 130.8 54.7-102.5 7.3 8.3 32.9 12.0 195 193 A R B < S-A 192 0A 121 -3,-1.5 -3,-2.9 1,-0.0 3,-0.1 -0.819 90.6 -89.8-131.9 170.6 8.2 29.1 12.3 196 194 A W - 0 0 76 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.1 -0.476 56.7 -95.0 -68.8 153.8 7.5 26.5 14.9 197 195 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.414 44.5-102.8 -66.8 150.2 10.5 25.3 17.0 198 196 A R > - 0 0 165 -2,-0.1 4,-2.7 -3,-0.1 5,-0.4 -0.639 50.1 -95.6 -77.0 128.9 12.2 22.2 15.6 199 197 A Y T 4 S- 0 0 110 -2,-0.4 -1,-0.0 1,-0.2 -3,-0.0 -0.785 91.3 -6.9 -91.4 134.2 11.4 19.1 17.7 200 198 A P T >4 S+ 0 0 37 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.986 127.6 52.7 -95.4 -14.3 13.1 18.1 19.8 201 199 A N T 34 S+ 0 0 91 1,-0.3 -2,-0.2 3,-0.1 0, 0.0 0.675 106.3 51.3 -61.8 -24.3 16.2 20.2 19.9 202 200 A E T 3< S+ 0 0 59 -4,-2.7 -1,-0.3 2,-0.1 2,-0.2 0.433 92.7 88.8 -97.6 3.2 14.7 23.7 20.0 203 201 A F S < S- 0 0 26 -3,-1.8 2,-0.6 -5,-0.4 -13,-0.1 -0.517 82.5-115.7 -90.0 166.1 12.4 23.0 22.9 204 202 A I - 0 0 64 -2,-0.2 2,-0.5 -15,-0.1 5,-0.1 -0.917 23.7-168.9-110.7 109.6 13.5 23.5 26.6 205 203 A W + 0 0 45 -2,-0.6 -93,-0.4 3,-0.1 -92,-0.3 -0.259 60.2 60.2 -99.9 45.3 13.6 20.2 28.5 206 204 A D S > S- 0 0 76 -2,-0.5 3,-1.9 -94,-0.1 -2,-0.1 -0.936 98.6 -84.2-157.2 176.3 14.1 21.6 32.0 207 205 A L T 3 S+ 0 0 36 1,-0.3 -2,-0.0 -2,-0.3 -46,-0.0 0.513 113.4 75.8 -75.1 -1.6 12.4 23.8 34.6 208 206 A S T 3 S+ 0 0 90 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.579 75.6 107.2 -74.5 -10.9 13.9 27.0 33.1 209 207 A A S < S- 0 0 0 -3,-1.9 3,-0.1 1,-0.1 -20,-0.1 -0.260 86.0 -88.4 -64.8 154.5 11.3 26.6 30.3 210 208 A P > - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.257 53.8 -87.1 -56.3 149.6 8.3 29.0 30.3 211 209 A R T 3 S+ 0 0 129 1,-0.3 -46,-0.2 -24,-0.1 -47,-0.1 -0.377 119.1 22.7 -53.8 136.3 5.2 28.1 32.3 212 210 A G T 3 S+ 0 0 0 -48,-3.4 -1,-0.3 2,-0.2 -47,-0.1 0.417 83.6 125.2 82.8 0.5 3.0 25.9 30.0 213 211 A H < + 0 0 1 -3,-2.0 -2,-0.1 -49,-0.3 -48,-0.1 0.848 58.1 84.8 -61.4 -35.2 5.9 24.9 27.8 214 212 A L + 0 0 0 -4,-0.2 -48,-2.3 -50,-0.2 -2,-0.2 -0.913 60.7 41.8-130.6 155.5 5.2 21.1 28.3 215 213 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -49,-0.1 0.563 81.8-132.9 -70.7 162.2 3.7 18.8 27.5 216 214 A L - 0 0 18 -2,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.575 18.7-168.9 -82.2 140.9 3.9 19.3 23.7 217 215 A T - 0 0 15 -2,-0.2 2,-0.1 -3,-0.0 9,-0.1 -0.987 33.9-114.6-124.8 122.3 0.9 19.0 21.4 218 216 A N - 0 0 94 -2,-0.4 3,-0.4 1,-0.1 8,-0.2 -0.328 27.3-171.8 -64.0 124.2 1.9 19.0 17.7 219 217 A Q > + 0 0 17 1,-0.2 3,-1.8 -2,-0.1 -1,-0.1 0.417 63.3 95.3 -96.8 1.1 0.6 22.1 15.9 220 218 A L T 3 S+ 0 0 126 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.753 90.2 45.1 -66.5 -22.0 1.5 21.1 12.4 221 219 A R T 3 S- 0 0 156 -3,-0.4 -1,-0.3 1,-0.4 3,-0.3 0.099 124.0 -96.6-105.0 21.7 -2.1 19.7 11.9 222 220 A G < - 0 0 37 -3,-1.8 3,-0.4 1,-0.2 -1,-0.4 -0.187 42.5 -68.9 88.3 178.3 -3.8 22.8 13.4 223 221 A V S > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.1 5,-0.2 0.450 95.5 99.0 -90.9 -5.5 -5.1 23.7 16.8 224 222 A Q H > S+ 0 0 112 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.863 84.1 48.9 -58.4 -41.0 -8.2 21.4 17.1 225 223 A V H > S+ 0 0 34 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.956 115.3 43.5 -63.0 -49.8 -6.5 18.7 19.2 226 224 A L H > S+ 0 0 0 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.914 111.7 55.0 -62.2 -41.3 -5.1 21.3 21.7 227 225 A N H X S+ 0 0 60 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.928 109.1 47.4 -57.0 -44.2 -8.4 23.1 21.7 228 226 A A H < S+ 0 0 7 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.884 112.5 50.5 -62.9 -40.2 -10.1 19.8 22.7 229 227 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.941 112.0 45.1 -62.2 -48.2 -7.5 19.2 25.4 230 228 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.745 116.7 45.4 -73.2 -22.3 -7.8 22.6 27.0 231 229 A N T 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.348 84.9 129.4 -97.4 3.2 -11.6 22.5 26.9 232 230 A H X - 0 0 7 -3,-1.0 3,-1.7 -4,-0.4 4,-0.2 -0.241 69.7-119.6 -62.4 143.4 -11.8 18.9 28.3 233 231 A P G >> S+ 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.677 101.6 82.9 -59.5 -14.9 -14.2 18.3 31.3 234 232 A A G >4 S+ 0 0 4 1,-0.2 3,-0.5 2,-0.2 -2,-0.0 0.831 86.0 55.7 -56.5 -31.9 -11.2 17.1 33.3 235 233 A W G <4 S+ 0 0 43 -3,-1.7 -1,-0.2 1,-0.2 -3,-0.0 0.536 117.1 32.3 -86.2 -7.2 -10.2 20.7 34.2 236 234 A T G <4 0 0 105 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.156 360.0 360.0-126.5 13.2 -13.6 21.7 35.7 237 235 A A << 0 0 92 -3,-0.5 -2,-0.1 -4,-0.5 -3,-0.1 0.911 360.0 360.0 -80.8 360.0 -14.7 18.3 37.1