==== 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 1Z3Y . 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) . 12353.0 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 2 1 2 1 1 1 1 0 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 0.000 360.0 360.0 360.0 131.9 2.0 18.3 67.7 2 -1 A E - 0 0 82 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.856 360.0 -6.9 -71.8 -38.3 2.1 18.9 63.9 3 0 A F S S- 0 0 51 2,-0.0 2,-0.3 46,-0.0 -1,-0.2 -0.934 81.6 -84.8-152.7 172.0 5.5 17.2 63.5 4 1 A M - 0 0 130 -2,-0.3 41,-0.1 -3,-0.1 -2,-0.0 -0.615 50.0 -82.5 -96.0 145.9 8.4 15.8 65.4 5 2 A V 0 0 123 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.557 360.0 360.0 7.5-121.5 11.5 17.4 67.1 6 3 A T 0 0 58 8,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.813 360.0 360.0 85.3 360.0 14.7 18.3 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 0 133 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -40.2 17.7 24.2 65.9 9 7 A A T 34 + 0 0 91 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.783 360.0 44.0 -58.2 -29.6 19.2 25.6 62.7 10 8 A L T 3> S+ 0 0 30 1,-0.1 4,-2.0 2,-0.1 -1,-0.3 0.275 88.6 93.5 -98.0 8.1 16.6 23.5 60.8 11 9 A A H <> S+ 0 0 38 -3,-1.6 4,-1.9 2,-0.2 -2,-0.1 0.920 88.6 42.2 -69.9 -44.6 13.7 24.4 63.1 12 10 A D H X S+ 0 0 112 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.887 112.6 55.4 -70.3 -37.2 12.4 27.3 61.1 13 11 A L H > S+ 0 0 27 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.898 107.4 49.9 -60.4 -42.8 12.9 25.4 57.8 14 12 A Q H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.929 111.3 47.4 -61.1 -47.8 10.8 22.5 59.1 15 13 A E H X S+ 0 0 90 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.909 113.4 49.3 -60.3 -42.6 8.0 24.9 60.1 16 14 A Q H X S+ 0 0 64 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.894 106.4 55.9 -64.5 -43.3 8.2 26.6 56.7 17 15 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 118.7 33.1 -53.3 -44.8 8.1 23.3 54.9 18 16 A Y H < S+ 0 0 7 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.890 134.9 21.0 -80.1 -43.9 4.8 22.4 56.6 19 17 A N H < S+ 0 0 76 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.396 95.8 105.8-115.7 -0.4 3.1 25.8 57.0 20 18 A G S < S- 0 0 22 -4,-2.3 2,-0.1 -5,-0.3 -4,-0.0 -0.229 75.2 -98.3 -74.3 166.3 4.7 28.1 54.4 21 19 A N > - 0 0 116 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.284 53.4 -89.8 -67.5 170.8 3.2 29.4 51.2 22 20 A E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 128.2 52.4 -56.9 -44.0 4.4 27.4 48.1 23 21 A K H > S+ 0 0 180 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.7 45.6 -58.2 -44.1 7.5 29.6 47.6 24 22 A S H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.895 111.9 50.8 -67.5 -40.7 8.6 29.2 51.2 25 23 A Q H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.924 111.2 47.9 -62.8 -45.5 8.0 25.4 51.2 26 24 A L H X S+ 0 0 43 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.883 113.3 47.3 -65.5 -40.1 10.0 24.9 48.0 27 25 A A H X S+ 0 0 55 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.925 113.0 50.6 -64.8 -44.6 12.9 27.0 49.3 28 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.923 110.6 46.4 -60.4 -48.6 12.8 25.1 52.6 29 27 A M H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.871 110.5 54.7 -65.9 -34.7 12.9 21.6 51.1 30 28 A S H < S+ 0 0 65 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.947 112.1 43.3 -60.6 -47.5 15.7 22.7 48.8 31 29 A T H >< S+ 0 0 66 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.918 110.2 56.1 -65.6 -41.9 17.8 23.8 51.8 32 30 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.839 97.7 62.6 -60.0 -33.9 16.9 20.8 53.8 33 31 A S T 3< S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.639 103.8 50.1 -67.9 -13.4 18.2 18.5 51.0 34 32 A T T < S+ 0 0 110 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.376 92.8 79.7 -97.9 0.8 21.7 20.1 51.7 35 33 A A S <> S- 0 0 34 -3,-1.7 4,-1.3 1,-0.3 3,-0.4 0.009 91.2-132.9-102.1 26.7 21.4 19.5 55.5 36 34 A G H > - 0 0 35 -3,-0.3 4,-2.4 1,-0.2 3,-0.3 -0.070 62.5 -12.8 63.9-155.5 22.4 15.8 55.4 37 35 A T H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 137.5 47.9 -52.1 -45.0 20.8 12.9 57.2 38 36 A E H > S+ 0 0 77 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.0 52.3 -65.8 -41.6 18.6 15.2 59.4 39 37 A G H X S+ 0 0 0 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.936 112.8 44.5 -59.2 -48.0 17.4 17.3 56.5 40 38 A Y H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 109.0 56.7 -65.0 -39.1 16.4 14.3 54.5 41 39 A H H X S+ 0 0 81 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.913 105.1 52.5 -58.1 -42.0 14.7 12.8 57.6 42 40 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 107.8 51.5 -59.6 -39.6 12.6 15.9 57.9 43 41 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.878 108.1 52.0 -67.1 -38.4 11.5 15.6 54.2 44 42 A Q H X S+ 0 0 21 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 110.5 47.6 -57.8 -49.9 10.5 11.9 54.8 45 43 A E H X S+ 0 0 34 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.887 108.0 56.6 -60.6 -38.8 8.3 13.0 57.7 46 44 A F H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.924 105.1 51.0 -60.8 -44.6 6.8 15.8 55.6 47 45 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.893 115.1 43.6 -57.9 -41.4 5.7 13.2 53.0 48 46 A K H >< S+ 0 0 105 -4,-1.8 3,-0.6 -5,-0.1 -2,-0.2 0.968 120.9 39.0 -64.3 -53.5 4.0 11.2 55.7 49 47 A D H >< S+ 0 0 42 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.845 108.1 58.9 -70.1 -41.0 2.5 14.1 57.5 50 48 A S G >< S+ 0 0 4 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.599 82.5 83.0 -72.3 -12.1 1.4 16.3 54.6 51 49 A A G < S+ 0 0 65 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.745 86.6 59.8 -59.7 -22.9 -0.9 13.6 53.1 52 50 A T G < S+ 0 0 109 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.548 78.6 117.2 -82.5 -10.3 -3.5 14.8 55.7 53 51 A F < - 0 0 60 -3,-1.7 -3,-0.0 -4,-0.1 0, 0.0 -0.369 55.2-139.3 -65.3 136.7 -3.6 18.4 54.3 54 52 A S S S+ 0 0 105 2,-0.1 -2,-0.0 -2,-0.1 -3,-0.0 -0.979 74.2 40.0-151.2 140.4 -6.9 19.5 52.8 55 53 A P S S- 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.553 110.1 -89.1 -69.0 169.9 -8.0 21.0 50.5 56 54 A P - 0 0 121 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.278 44.4-144.7 -56.3 118.4 -5.5 19.5 48.1 57 55 A P - 0 0 67 0, 0.0 5,-0.0 0, 0.0 -4,-0.0 -0.209 44.3 -63.1 -68.4 171.5 -2.3 21.6 47.9 58 56 A A >> - 0 0 14 1,-0.1 3,-1.9 2,-0.1 4,-0.6 -0.384 48.8-131.4 -59.3 129.7 -0.3 22.1 44.7 59 57 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.686 99.3 68.1 -65.3 -17.2 0.9 18.7 43.6 60 58 A W H 3> S+ 0 0 43 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.539 86.7 68.8 -79.7 -5.5 4.5 19.8 43.1 61 59 A I H <> S+ 0 0 4 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.974 113.2 28.5 -72.3 -57.4 5.1 20.4 46.8 62 60 A R H X S+ 0 0 53 -4,-0.6 4,-2.7 2,-0.2 5,-0.2 0.887 121.4 58.7 -65.0 -36.9 4.9 16.7 47.5 63 61 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 110.2 39.3 -54.7 -52.0 6.2 16.1 44.0 64 62 A Q H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.872 113.6 55.1 -71.4 -35.7 9.4 18.1 44.5 65 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.929 110.2 47.2 -59.8 -45.7 9.9 16.7 48.1 66 64 A Y H X S+ 0 0 20 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.906 110.0 53.0 -61.1 -43.4 9.7 13.2 46.7 67 65 A R H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 108.0 50.3 -57.7 -46.0 12.2 14.1 43.9 68 66 A L H < S+ 0 0 25 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.932 114.4 44.0 -61.0 -43.9 14.7 15.5 46.5 69 67 A L H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.923 110.1 56.2 -64.1 -44.7 14.3 12.3 48.5 70 68 A F H 3< S+ 0 0 76 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.7 46.8 -54.0 -35.8 14.6 10.2 45.3 71 69 A H T 3< S+ 0 0 100 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.414 88.7 117.7 -89.2 0.8 17.9 11.9 44.5 72 70 A S < - 0 0 8 -3,-1.7 6,-0.1 -4,-0.3 -3,-0.0 -0.411 61.3-143.6 -70.1 143.5 19.3 11.4 48.1 73 71 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.606 66.1 114.2 -78.4 -11.1 22.4 9.3 48.6 74 72 A E > - 0 0 51 1,-0.1 4,-2.0 -5,-0.1 3,-0.3 -0.444 59.1-151.6 -72.9 123.5 21.0 7.9 51.9 75 73 A A H > S+ 0 0 84 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.853 98.3 55.7 -55.8 -39.0 20.2 4.1 52.0 76 74 A S H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 106.5 50.6 -66.1 -36.3 17.5 4.7 54.6 77 75 A V H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.929 110.3 48.3 -66.2 -45.8 15.8 7.2 52.4 78 76 A Q H X S+ 0 0 67 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.889 111.5 50.9 -64.7 -36.0 15.8 4.8 49.4 79 77 A A H X S+ 0 0 40 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.933 109.4 51.0 -62.0 -46.3 14.4 2.1 51.7 80 78 A F H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.921 112.5 46.1 -56.9 -46.3 11.7 4.4 52.9 81 79 A L H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 112.6 49.2 -67.5 -39.8 10.7 5.3 49.3 82 80 A Q H < S+ 0 0 133 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 115.7 44.9 -66.1 -36.5 10.8 1.6 48.2 83 81 A Q H < S+ 0 0 142 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.863 131.6 16.8 -73.7 -38.7 8.6 0.6 51.2 84 82 A H H < S+ 0 0 113 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.701 133.6 32.0-113.2 -25.9 6.0 3.5 51.0 85 83 A Y >< + 0 0 37 -4,-2.2 3,-1.9 -5,-0.4 -2,-0.1 -0.321 61.2 146.0-131.7 53.0 6.3 5.0 47.5 86 84 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.761 86.0 34.9 -62.7 -27.8 7.3 2.2 45.1 87 85 A Q T 3 S- 0 0 89 1,-0.5 3,-0.2 -3,-0.1 2,-0.1 -0.070 123.2-102.3-113.6 30.6 5.2 3.8 42.3 88 86 A G < - 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0 0 20 -2,-0.3 2,-0.3 -3,-0.1 88,-0.1 -0.756 6.8-135.9-110.5 145.8 -5.1 11.7 17.4 138 136 A Y >> - 0 0 117 -2,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.709 34.1-119.0 -82.4 150.7 -8.2 13.1 15.8 139 137 A F H 3> S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.844 114.2 60.6 -62.3 -32.2 -9.8 15.9 17.8 140 138 A T H 3> S+ 0 0 61 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.866 103.1 51.3 -62.4 -34.8 -13.0 13.9 18.2 141 139 A E H X4 S+ 0 0 37 -3,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.877 107.4 53.3 -68.0 -37.3 -11.0 11.2 19.9 142 140 A V H >< S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.2 -2,-0.2 0.917 101.3 58.7 -62.3 -44.3 -9.5 13.8 22.3 143 141 A E H 3< S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.2 48.9 -55.5 -25.7 -13.0 15.0 23.3 144 142 A Q T << S+ 0 0 155 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.316 78.1 123.7-102.1 5.9 -13.7 11.4 24.4 145 143 A L S < S- 0 0 8 -3,-1.9 2,-0.1 -4,-0.2 -18,-0.0 -0.409 71.4 -99.4 -65.2 142.4 -10.6 10.7 26.6 146 144 A P > - 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.368 21.2-132.5 -67.0 139.7 -11.4 9.6 30.2 147 145 A I H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 103.7 53.4 -55.8 -48.3 -11.2 12.3 32.9 148 146 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 -55,-0.3 0.896 110.4 47.7 -57.0 -42.8 -9.2 10.1 35.4 149 147 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.931 113.3 46.3 -63.7 -48.1 -6.5 9.4 32.8 150 148 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.886 112.8 50.9 -64.5 -37.8 -6.1 13.0 31.6 151 149 A Q H X S+ 0 0 70 -4,-2.7 4,-3.2 -5,-0.2 5,-0.2 0.906 109.6 50.8 -66.3 -39.4 -6.0 14.1 35.3 152 150 A T H X S+ 0 0 4 -4,-2.3 4,-2.4 -59,-0.3 -2,-0.2 0.954 112.7 45.7 -60.7 -50.4 -3.3 11.6 36.1 153 151 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 116.8 44.7 -58.5 -45.6 -1.2 12.7 33.1 154 152 A D H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.904 110.9 52.8 -70.4 -40.6 -1.7 16.4 34.0 155 153 A Q H X S+ 0 0 76 -4,-3.2 4,-3.0 2,-0.2 -1,-0.2 0.900 109.6 50.3 -61.3 -39.5 -1.1 15.9 37.7 156 154 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.955 110.5 48.8 -63.8 -47.5 2.2 14.2 36.9 157 155 A W H < S+ 0 0 0 -4,-2.3 8,-0.4 1,-0.2 4,-0.4 0.933 116.7 43.0 -56.5 -46.8 3.2 17.0 34.6 158 156 A L H ><>S+ 0 0 15 -4,-2.9 5,-2.3 1,-0.2 3,-1.3 0.948 111.6 53.4 -63.4 -49.1 2.4 19.6 37.3 159 157 A A H 3<5S+ 0 0 0 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.754 116.1 37.6 -60.2 -31.3 3.9 17.7 40.2 160 158 A F T 3<5S+ 0 0 3 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.294 111.9 56.6-110.8 10.8 7.3 17.3 38.5 161 159 A S T X 5S- 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 -1,-0.2 0.070 110.8-107.2-122.9 18.9 7.6 20.6 36.8 162 160 A L T 3 5S- 0 0 55 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.846 79.3 -60.0 50.3 35.5 7.2 22.9 39.8 163 161 A G T 3 S- 0 0 0 48,-2.3 4,-2.1 -2,-0.3 3,-0.2 -0.480 76.1 -89.3 134.4 157.4 0.7 20.5 31.9 167 165 A Y H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.873 124.2 57.2 -61.4 -37.1 -2.5 20.8 29.9 168 166 A S H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 106.8 49.5 -65.5 -32.7 -4.1 22.7 32.8 169 167 A V H > S+ 0 0 21 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 110.6 48.9 -67.1 -47.8 -1.3 25.3 32.7 170 168 A Q H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.903 110.0 53.9 -58.7 -41.3 -1.7 25.7 28.9 171 169 A R H X S+ 0 0 38 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.950 110.3 44.7 -57.2 -51.5 -5.5 26.1 29.4 172 170 A Q H X S+ 0 0 118 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.907 114.6 48.6 -64.1 -39.8 -5.0 28.9 32.0 173 171 A L H X S+ 0 0 38 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.911 112.3 49.5 -64.5 -41.1 -2.4 30.6 29.8 174 172 A W H ><>S+ 0 0 9 -4,-2.9 5,-2.4 -5,-0.2 3,-1.0 0.941 111.8 47.3 -62.6 -48.0 -4.7 30.3 26.8 175 173 A L H ><5S+ 0 0 55 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.860 112.8 49.9 -62.3 -35.7 -7.7 31.7 28.7 176 174 A G H 3<5S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.559 103.3 61.3 -78.6 -9.5 -5.5 34.6 30.0 177 175 A C T X<5S- 0 0 13 -3,-1.0 3,-1.4 -4,-0.7 -1,-0.2 -0.004 125.3 -99.9 -98.3 20.7 -4.3 35.3 26.4 178 176 A G T < 5 - 0 0 52 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.751 65.7 -73.9 64.1 25.2 -7.9 36.1 25.3 179 177 A Q T 3 - 0 0 62 -3,-1.4 4,-1.8 -6,-0.4 -1,-0.2 -0.811 38.0-159.6 -95.5 115.8 -5.9 33.8 21.1 181 179 A W H > S+ 0 0 48 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.876 89.5 56.3 -64.3 -40.3 -3.8 31.0 19.7 182 180 A D H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.935 109.7 46.5 -58.2 -45.8 -1.1 33.3 18.1 183 181 A R H > S+ 0 0 144 -6,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 110.2 54.8 -61.6 -38.5 -0.5 34.9 21.5 184 182 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.941 103.5 53.6 -61.4 -47.9 -0.4 31.5 23.2 185 183 A W H X>S+ 0 0 13 -4,-2.5 5,-2.9 1,-0.2 4,-0.6 0.894 112.7 44.4 -58.1 -41.9 2.4 30.2 20.8 186 184 A E H ><5S+ 0 0 128 -4,-1.5 3,-1.0 -5,-0.2 -1,-0.2 0.950 112.8 52.5 -64.0 -47.1 4.5 33.2 21.7 187 185 A K H 3<5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.8 37.7 -56.0 -46.4 3.7 32.9 25.4 188 186 A I H 3<5S- 0 0 0 -4,-2.7 -1,-0.2 24,-0.1 -2,-0.2 0.360 115.4-108.4 -96.0 5.4 4.7 29.2 25.7 189 187 A G T <<5S+ 0 0 27 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.844 73.2 135.2 78.6 35.9 7.7 29.3 23.3 190 188 A W < + 0 0 6 -5,-2.9 2,-0.4 -6,-0.2 -4,-0.2 0.093 50.0 84.4-104.4 22.5 6.3 27.4 20.3 191 189 A R - 0 0 67 -6,-0.4 2,-0.5 -5,-0.2 5,-0.2 -0.981 50.8-169.2-124.2 138.2 7.6 29.8 17.7 192 190 A Q B > S-A 195 0A 79 3,-3.2 3,-1.3 -2,-0.4 2,-0.6 -0.807 71.0 -71.2-116.1 82.5 11.0 30.0 16.1 193 191 A G T 3 S- 0 0 66 -2,-0.5 -1,-0.0 1,-0.2 0, 0.0 -0.574 117.1 -8.7 69.7-112.4 10.6 33.4 14.3 194 192 A K T 3 S+ 0 0 207 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.220 130.7 55.2-101.3 11.2 8.2 32.8 11.5 195 193 A R B < S-A 192 0A 123 -3,-1.3 -3,-3.2 3,-0.0 3,-0.1 -0.865 88.3 -90.8-137.7 169.0 8.0 29.0 11.8 196 194 A W - 0 0 74 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.501 53.5 -98.2 -72.9 152.9 7.3 26.2 14.2 197 195 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.417 41.1-105.6 -69.8 147.9 10.3 24.9 16.2 198 196 A R > - 0 0 169 -2,-0.1 4,-2.6 -3,-0.1 5,-0.3 -0.624 50.2 -93.6 -75.3 128.9 11.8 21.7 14.8 199 197 A Y T 4 S- 0 0 111 -2,-0.4 -1,-0.0 1,-0.2 -3,-0.0 -0.765 92.5 -6.8 -90.3 136.9 11.0 18.6 16.9 200 198 A P T >4 S+ 0 0 40 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.987 127.5 53.6 -94.1 -12.3 12.7 17.6 19.1 201 199 A N T 34 S+ 0 0 89 1,-0.3 -2,-0.2 3,-0.0 0, 0.0 0.709 105.5 51.7 -62.0 -26.4 15.9 19.6 19.0 202 200 A E T 3< S+ 0 0 55 -4,-2.6 -1,-0.3 2,-0.1 2,-0.2 0.437 92.4 88.4 -96.1 3.6 14.4 23.2 19.1 203 201 A F S < S- 0 0 25 -3,-1.7 2,-0.6 -5,-0.3 -13,-0.1 -0.574 81.9-115.9 -92.3 163.7 12.2 22.6 22.2 204 202 A I - 0 0 67 -2,-0.2 2,-0.3 -15,-0.1 5,-0.1 -0.903 23.0-167.7-108.2 111.7 13.4 23.2 25.8 205 203 A W + 0 0 44 -2,-0.6 -93,-0.5 3,-0.1 -92,-0.3 -0.211 60.9 58.1-100.8 43.1 13.5 20.0 27.8 206 204 A D S > S- 0 0 78 -2,-0.3 3,-1.9 -94,-0.1 -2,-0.1 -0.930 98.6 -83.8-156.5-179.3 14.0 21.4 31.3 207 205 A L T 3 S+ 0 0 40 1,-0.3 -2,-0.0 -2,-0.3 -46,-0.0 0.492 112.8 76.9 -80.2 -0.6 12.5 23.8 33.8 208 206 A S T 3 S+ 0 0 93 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.615 76.3 105.0 -71.2 -16.0 14.1 26.8 32.2 209 207 A A S < S- 0 0 0 -3,-1.9 3,-0.1 1,-0.1 -20,-0.1 -0.268 87.3 -91.2 -62.6 153.7 11.4 26.4 29.5 210 208 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.265 53.1 -85.8 -61.1 152.7 8.5 28.9 29.6 211 209 A R T 3 S+ 0 0 133 1,-0.3 -46,-0.2 2,-0.1 -47,-0.1 -0.374 119.4 22.4 -56.6 137.8 5.4 28.0 31.7 212 210 A G T 3 S+ 0 0 0 -48,-3.4 -1,-0.3 2,-0.2 -47,-0.1 0.420 83.9 123.9 81.8 1.2 3.1 25.9 29.4 213 211 A H < + 0 0 1 -3,-2.0 -2,-0.1 -49,-0.2 -48,-0.1 0.846 59.3 82.9 -62.7 -35.9 6.0 24.8 27.1 214 212 A L + 0 0 0 -4,-0.2 -48,-2.3 -50,-0.2 -2,-0.2 -0.911 60.9 44.2-126.2 154.3 5.2 21.1 27.7 215 213 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 -49,-0.1 0.527 81.3-135.3 -77.3 162.0 3.6 18.8 27.0 216 214 A L - 0 0 16 -2,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.600 18.8-170.3 -83.9 143.4 3.7 19.2 23.2 217 215 A T - 0 0 16 -2,-0.3 2,-0.3 -3,-0.0 9,-0.0 -0.994 36.5-111.4-127.4 125.9 0.7 18.9 20.9 218 216 A N > - 0 0 89 -2,-0.4 3,-0.6 1,-0.2 7,-0.2 -0.379 29.2-173.2 -67.4 117.7 1.7 19.0 17.2 219 217 A Q G > + 0 0 17 -2,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.506 68.6 88.2 -89.8 -4.9 0.5 22.2 15.5 220 218 A L G 3 S+ 0 0 125 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.770 91.9 49.5 -61.8 -23.0 1.5 21.1 11.9 221 219 A R G < S- 0 0 153 -3,-0.6 -1,-0.3 1,-0.3 3,-0.2 0.250 123.8 -97.5 -99.8 14.2 -2.0 19.5 11.8 222 220 A G < - 0 0 37 -3,-1.8 3,-0.4 1,-0.1 -1,-0.3 -0.203 40.5 -75.2 90.6 174.2 -3.9 22.6 13.0 223 221 A V S > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.1 5,-0.2 0.433 96.1 98.9 -91.4 -1.8 -5.2 23.6 16.4 224 222 A Q H > S+ 0 0 115 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 83.7 48.5 -62.7 -39.2 -8.3 21.3 16.8 225 223 A V H > S+ 0 0 32 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.949 115.4 43.9 -64.3 -49.8 -6.6 18.6 18.9 226 224 A L H > S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.913 112.0 54.6 -61.3 -40.7 -5.1 21.2 21.3 227 225 A N H X S+ 0 0 61 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.915 109.4 47.2 -58.3 -42.4 -8.4 23.0 21.4 228 226 A A H < S+ 0 0 7 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.881 112.1 51.0 -65.1 -40.0 -10.2 19.8 22.4 229 227 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.950 111.3 45.9 -61.4 -49.1 -7.6 19.1 25.1 230 228 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.729 116.5 45.2 -73.1 -20.4 -7.8 22.6 26.6 231 229 A N T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.332 84.4 128.9-100.5 3.1 -11.7 22.5 26.6 232 230 A H S X S- 0 0 7 -3,-1.2 3,-1.5 -4,-0.4 4,-0.2 -0.249 70.2-119.5 -59.4 144.4 -11.9 18.9 27.9 233 231 A P G >> S+ 0 0 63 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.649 101.6 83.7 -62.7 -13.4 -14.2 18.4 31.0 234 232 A A G >4 S+ 0 0 4 1,-0.2 3,-0.6 2,-0.2 -2,-0.0 0.831 85.9 55.5 -54.4 -34.6 -11.2 17.1 33.0 235 233 A W G <4 S+ 0 0 44 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.0 0.547 116.2 33.6 -86.4 -6.5 -10.2 20.7 33.9 236 234 A T G <4 0 0 102 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.214 360.0 360.0-124.8 11.8 -13.6 21.8 35.3 237 235 A A << 0 0 95 -3,-0.6 -2,-0.1 -4,-0.6 -3,-0.1 0.969 360.0 360.0 -73.8 360.0 -14.6 18.4 36.9