==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-11 3UJ6 . COMPND 2 MOLECULE: PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.G.LEE,Y.KIM,T.D.ALPERT,A.NAGATA,J.M.JEZ . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.6 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 . 0 0.0 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 2 2 0 3 1 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 9 A S > 0 0 120 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -83.7 35.1 7.9 20.4 2 10 A D H > + 0 0 98 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 360.0 52.9 -59.1 -43.9 32.0 9.8 21.5 3 11 A K H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 109.8 45.8 -52.2 -50.2 32.3 10.9 17.8 4 12 A T H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 110.0 53.1 -66.3 -44.2 32.4 7.3 16.7 5 13 A F H X S+ 0 0 43 -4,-2.7 4,-0.5 1,-0.2 5,-0.4 0.912 114.6 42.4 -57.3 -44.1 29.5 6.3 18.9 6 14 A L H ><>S+ 0 0 10 -4,-2.4 5,-2.7 1,-0.2 3,-0.7 0.925 116.1 46.5 -69.1 -47.2 27.3 9.1 17.5 7 15 A E H 3<5S+ 0 0 36 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.796 115.5 46.6 -65.7 -29.6 28.3 8.7 13.8 8 16 A N H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.506 127.5 13.6 -94.0 -3.9 27.9 4.9 13.9 9 17 A N T X<5S+ 0 0 96 -3,-0.7 3,-1.1 -4,-0.5 -3,-0.2 0.431 128.7 19.6-132.2 -90.0 24.5 4.8 15.6 10 18 A Q T 3 5S+ 0 0 24 -5,-0.4 -3,-0.1 1,-0.2 -4,-0.1 0.890 130.8 38.7 -60.5 -40.3 22.1 7.7 16.2 11 19 A Y T 3 S- 0 0 50 -3,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.292 72.2 -97.3 -59.8 164.4 24.4 7.6 10.6 13 21 A D H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.919 128.0 45.0 -54.0 -47.2 23.7 9.2 7.2 14 22 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.6 54.7 -64.4 -40.2 20.3 7.4 7.0 15 23 A G H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 109.2 48.5 -61.3 -41.8 19.5 8.2 10.7 16 24 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.904 110.2 50.9 -63.3 -42.3 20.0 11.9 10.0 17 25 A K H X S+ 0 0 104 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.863 107.5 53.6 -66.2 -35.5 17.8 11.7 6.8 18 26 A V H X S+ 0 0 12 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.939 110.4 47.4 -61.6 -45.5 15.1 10.0 8.8 19 27 A Y H X S+ 0 0 40 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.896 109.3 53.1 -61.8 -41.0 15.2 12.9 11.3 20 28 A E H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.883 103.9 58.7 -64.3 -35.1 15.2 15.5 8.6 21 29 A F H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.906 116.6 31.3 -58.3 -45.0 12.0 13.8 7.1 22 30 A I H < S+ 0 0 8 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.865 124.9 41.9 -87.1 -36.6 10.1 14.3 10.3 23 31 A F H < S- 0 0 18 -4,-3.0 10,-0.3 4,-0.3 -3,-0.2 0.766 115.1-106.2 -81.9 -26.0 11.6 17.6 11.7 24 32 A G >< - 0 0 27 -4,-2.2 3,-2.5 -5,-0.4 -1,-0.2 -0.227 52.8 -32.4 114.2 156.4 11.7 19.4 8.3 25 33 A E T 3 S+ 0 0 154 1,-0.3 8,-0.1 -4,-0.1 3,-0.1 -0.119 127.3 2.4 -50.2 126.0 14.3 20.4 5.7 26 34 A N T 3 S+ 0 0 29 1,-0.2 34,-1.9 6,-0.0 2,-0.4 0.423 113.1 103.4 77.4 2.4 17.7 21.3 7.2 27 35 A Y < + 0 0 11 -3,-2.5 -4,-0.3 -7,-0.2 -3,-0.3 -0.910 38.8 173.1-119.2 141.7 16.6 20.4 10.7 28 36 A I + 0 0 4 -2,-0.4 2,-0.3 -5,-0.1 -8,-0.1 -0.111 64.6 67.1-130.7 37.6 17.1 17.4 13.0 29 37 A S S > S- 0 0 2 -5,-0.1 3,-2.0 -10,-0.1 91,-0.1 -0.979 92.8 -43.5-151.3 167.9 15.5 18.7 16.2 30 38 A S T 3 S- 0 0 0 -2,-0.3 -2,-0.1 1,-0.2 -7,-0.1 0.125 115.1 -8.6 -33.6 119.6 12.2 19.7 17.7 31 39 A G T >> S- 0 0 11 4,-0.1 4,-2.0 171,-0.1 3,-0.5 0.395 85.7-146.1 77.6 -3.4 9.8 21.8 15.7 32 40 A G H <> - 0 0 0 -3,-2.0 4,-1.8 1,-0.2 -8,-0.1 -0.006 68.7 -8.0 45.2-135.9 12.2 22.5 12.8 33 41 A L H 3> S+ 0 0 71 -10,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.891 135.1 53.6 -60.2 -46.0 11.9 25.9 11.1 34 42 A E H <> S+ 0 0 108 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.918 109.6 46.8 -61.4 -44.2 8.7 27.0 12.9 35 43 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.885 110.3 55.7 -63.9 -36.7 10.0 26.4 16.4 36 44 A T H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.922 103.6 53.1 -61.5 -44.4 13.2 28.2 15.4 37 45 A K H < S+ 0 0 81 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.907 113.7 43.7 -56.0 -41.2 11.2 31.3 14.3 38 46 A K H >< S+ 0 0 113 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.907 110.5 53.1 -74.1 -40.4 9.6 31.3 17.8 39 47 A I H 3< S+ 0 0 7 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.844 117.4 38.9 -62.0 -34.5 12.8 30.7 19.8 40 48 A L T >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.362 84.5 106.8 -95.9 5.5 14.5 33.6 18.0 41 49 A S T < S+ 0 0 82 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.738 86.9 35.9 -63.4 -25.4 11.5 35.9 18.0 42 50 A D T 3 S+ 0 0 78 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.190 93.8 109.0-111.8 15.6 12.8 38.2 20.7 43 51 A I < - 0 0 10 -3,-1.8 2,-0.5 103,-0.0 -3,-0.0 -0.789 53.7-154.5 -96.9 132.9 16.5 38.1 19.8 44 52 A E + 0 0 163 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.931 29.5 140.1-112.8 124.3 18.1 41.1 18.2 45 53 A L - 0 0 29 -2,-0.5 2,-0.2 23,-0.1 26,-0.0 -0.909 23.2-164.2-145.3 170.8 21.2 40.8 16.0 46 54 A N > - 0 0 69 -2,-0.3 3,-1.8 24,-0.1 26,-0.2 -0.833 46.9 -69.9-146.3-167.9 22.4 42.4 12.8 47 55 A E T 3 S+ 0 0 106 1,-0.3 23,-0.1 -2,-0.2 25,-0.1 0.632 127.9 52.3 -64.1 -16.2 24.9 42.0 9.9 48 56 A N T 3 S+ 0 0 114 23,-0.1 -1,-0.3 2,-0.1 23,-0.1 0.534 87.1 109.3 -96.2 -6.9 27.9 42.8 12.3 49 57 A S < - 0 0 9 -3,-1.8 23,-2.5 20,-0.2 2,-0.4 -0.328 57.9-145.4 -70.5 147.7 26.9 40.1 14.9 50 58 A K E -a 72 0A 77 21,-0.2 64,-2.1 62,-0.1 65,-1.6 -0.973 17.8-169.8-116.0 132.0 28.8 36.9 15.4 51 59 A V E -ab 73 115A 2 21,-2.4 23,-2.3 -2,-0.4 2,-0.4 -0.955 13.3-157.4-126.8 134.6 27.0 33.8 16.4 52 60 A L E -ab 74 116A 0 63,-2.4 65,-3.1 -2,-0.4 2,-0.6 -0.946 6.6-162.8-105.8 132.1 28.1 30.4 17.6 53 61 A D E > -ab 75 117A 2 21,-2.6 23,-2.6 -2,-0.4 2,-0.7 -0.953 10.1-152.0-115.6 111.6 25.8 27.4 17.0 54 62 A I E 3 S+a 76 0A 5 63,-2.8 65,-0.4 -2,-0.6 23,-0.1 -0.751 83.4 9.7 -92.0 114.5 26.8 24.4 19.2 55 63 A G T 3 S- 0 0 3 21,-2.8 -1,-0.3 -2,-0.7 22,-0.3 0.915 79.8-176.4 81.3 56.3 25.7 21.2 17.7 56 64 A S X - 0 0 2 20,-1.8 3,-2.0 -3,-0.6 5,-0.4 0.605 8.6-178.2 -70.7 -14.9 24.8 22.8 14.4 57 65 A G T 3 - 0 0 0 1,-0.3 29,-0.2 19,-0.2 -1,-0.2 -0.224 67.8 -8.8 59.0-133.6 23.5 19.7 12.7 58 66 A L T 3 S- 0 0 0 -32,-0.2 -1,-0.3 27,-0.1 31,-0.1 0.495 100.7-112.2 -79.6 -3.4 22.4 20.1 9.1 59 67 A G S <> S+ 0 0 0 -3,-2.0 4,-2.8 3,-0.0 5,-0.2 0.449 75.2 132.8 93.6 2.6 22.7 23.8 9.5 60 68 A G H > S+ 0 0 3 -34,-1.9 4,-2.6 1,-0.2 5,-0.2 0.855 75.2 52.4 -53.1 -40.2 19.1 25.1 9.3 61 69 A G H > S+ 0 0 6 -5,-0.4 4,-2.7 -35,-0.3 -1,-0.2 0.931 111.0 45.7 -64.3 -46.7 19.6 27.2 12.4 62 70 A C H > S+ 0 0 1 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.923 112.9 52.0 -61.5 -43.8 22.7 29.0 11.0 63 71 A X H X S+ 0 0 32 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.925 112.3 45.1 -56.3 -46.9 20.8 29.4 7.7 64 72 A Y H X S+ 0 0 32 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.919 113.0 49.5 -65.1 -46.4 17.8 31.0 9.4 65 73 A I H X>S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 6,-0.7 0.925 113.2 46.6 -59.3 -45.5 19.9 33.3 11.6 66 74 A N H X5S+ 0 0 26 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.885 115.0 47.5 -64.8 -38.0 22.0 34.5 8.7 67 75 A E H <5S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.940 116.7 41.1 -67.4 -49.1 18.8 35.0 6.6 68 76 A K H <5S+ 0 0 85 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.894 135.5 14.3 -67.4 -40.0 16.9 36.9 9.3 69 77 A Y H <5S- 0 0 24 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.636 88.9-124.4-113.5 -22.5 19.7 39.1 10.6 70 78 A G << + 0 0 22 -4,-1.5 -4,-0.2 -5,-0.6 -3,-0.1 0.618 58.8 157.2 79.9 14.0 22.6 38.9 8.1 71 79 A A - 0 0 0 -6,-0.7 2,-0.5 1,-0.1 -1,-0.2 -0.252 51.3-106.6 -74.2 154.6 24.8 37.7 11.0 72 80 A H E -a 50 0A 79 -23,-2.5 -21,-2.4 -26,-0.2 2,-0.4 -0.720 42.2-164.8 -72.7 126.8 28.1 35.8 10.7 73 81 A T E -ac 51 96A 3 22,-3.4 24,-2.1 -2,-0.5 2,-0.5 -0.967 14.6-171.6-122.8 137.5 27.3 32.2 11.9 74 82 A H E -ac 52 97A 34 -23,-2.3 -21,-2.6 -2,-0.4 2,-0.4 -0.982 10.5-163.1-127.5 115.7 29.8 29.5 12.9 75 83 A G E -ac 53 98A 0 22,-3.5 24,-2.6 -2,-0.5 2,-0.4 -0.862 2.9-165.0-105.5 133.8 28.4 26.1 13.5 76 84 A I E +ac 54 99A 2 -23,-2.6 -21,-2.8 -2,-0.4 -20,-1.8 -0.966 14.2 165.6-115.6 131.9 30.2 23.3 15.3 77 85 A D E - c 0 100A 1 22,-2.2 24,-1.6 -2,-0.4 6,-0.1 -0.988 32.4-144.7-145.8 137.0 29.2 19.7 15.2 78 86 A I S S+ 0 0 16 -2,-0.3 2,-0.8 22,-0.2 24,-0.1 0.758 79.3 85.9 -75.2 -23.3 31.2 16.6 16.2 79 87 A C > - 0 0 0 1,-0.2 4,-2.0 22,-0.1 3,-0.3 -0.699 61.2-162.1 -86.5 110.5 29.8 14.4 13.5 80 88 A S H > S+ 0 0 37 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.843 90.0 54.5 -55.7 -40.9 31.9 14.8 10.3 81 89 A N H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 107.5 49.7 -65.6 -38.0 29.2 13.2 8.1 82 90 A I H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.905 110.6 50.1 -64.9 -42.7 26.6 15.7 9.4 83 91 A V H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.881 107.4 54.5 -63.8 -37.4 29.0 18.6 8.7 84 92 A N H X S+ 0 0 97 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.916 110.4 46.5 -64.1 -39.1 29.6 17.2 5.2 85 93 A X H < S+ 0 0 15 -4,-1.8 4,-0.5 2,-0.2 3,-0.4 0.883 110.1 53.2 -67.5 -39.7 25.8 17.2 4.6 86 94 A A H >X S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 4,-0.6 0.940 104.2 55.7 -60.6 -46.4 25.5 20.7 6.0 87 95 A N H 3< S+ 0 0 82 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.759 103.0 56.2 -60.9 -23.8 28.2 22.0 3.6 88 96 A E T 3< S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.614 100.9 59.2 -81.0 -11.6 26.1 20.7 0.7 89 97 A R T <4 S+ 0 0 74 -3,-2.0 2,-0.4 -4,-0.5 -1,-0.2 0.586 106.5 48.3 -91.5 -14.9 23.1 22.8 1.8 90 98 A V < + 0 0 33 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.1 -0.984 61.2 168.6-130.6 138.9 24.9 26.1 1.6 91 99 A S + 0 0 113 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.995 59.8 14.7-147.2 153.3 27.0 27.7 -1.1 92 100 A G S S+ 0 0 93 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.672 86.9 120.6 64.3 19.8 28.5 31.1 -2.0 93 101 A N > - 0 0 54 3,-0.1 3,-1.3 1,-0.1 -1,-0.1 -0.891 39.8-175.6-119.7 101.5 27.9 32.5 1.5 94 102 A N T 3 S+ 0 0 147 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.413 79.3 65.7 -79.7 6.4 31.0 33.6 3.3 95 103 A K T 3 S+ 0 0 48 1,-0.1 -22,-3.4 -23,-0.1 2,-0.4 0.278 89.8 71.3-108.9 11.9 29.1 34.4 6.5 96 104 A I E < +c 73 0A 20 -3,-1.3 2,-0.4 -24,-0.2 -22,-0.2 -0.990 59.6 175.6-126.7 122.1 28.1 30.8 7.2 97 105 A I E -c 74 0A 91 -24,-2.1 -22,-3.5 -2,-0.4 2,-0.4 -0.996 11.8-165.6-129.3 129.6 30.8 28.3 8.4 98 106 A F E -c 75 0A 15 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.950 11.7-174.2-113.6 134.4 30.3 24.7 9.5 99 107 A E E -c 76 0A 43 -24,-2.6 -22,-2.2 -2,-0.4 2,-0.7 -0.990 23.5-135.1-134.6 132.6 33.1 22.9 11.3 100 108 A A E +c 77 0A 39 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.770 56.8 115.2 -86.5 116.6 33.5 19.3 12.4 101 109 A N S S- 0 0 56 -24,-1.6 2,-0.5 -2,-0.7 -22,-0.1 -0.945 70.4 -97.6-172.9 152.8 34.8 19.4 15.9 102 110 A D >> - 0 0 45 -2,-0.3 3,-1.6 1,-0.1 4,-1.0 -0.733 31.1-142.6 -75.5 125.2 34.0 18.4 19.5 103 111 A I T 34 S+ 0 0 13 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.816 98.1 65.8 -62.1 -25.8 32.8 21.7 21.2 104 112 A L T 34 S+ 0 0 31 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.695 109.9 34.2 -69.6 -20.2 34.6 20.6 24.3 105 113 A T T <4 S+ 0 0 93 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.473 92.6 110.9-112.3 -5.3 38.0 20.9 22.7 106 114 A K < - 0 0 42 -4,-1.0 2,-0.4 -3,-0.3 -5,-0.0 -0.432 56.2-147.5 -70.8 140.0 37.3 23.8 20.4 107 115 A E + 0 0 173 -2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.928 21.3 168.9-111.2 137.7 39.1 27.1 21.2 108 116 A F - 0 0 31 -2,-0.4 3,-0.1 28,-0.1 4,-0.0 -0.964 39.4 -95.4-135.4 154.0 37.7 30.5 20.7 109 117 A P > - 0 0 82 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.334 47.0 -97.7 -65.2 151.1 38.9 33.9 21.9 110 118 A E T 3 S+ 0 0 116 1,-0.2 30,-0.3 2,-0.1 32,-0.1 -0.345 107.7 18.7 -58.4 147.3 37.4 35.4 25.0 111 119 A N T 3 S+ 0 0 68 28,-2.8 31,-0.3 30,-0.6 -1,-0.2 0.890 88.9 131.6 57.0 46.7 34.6 38.0 24.3 112 120 A N < + 0 0 24 28,-2.3 2,-0.4 -3,-0.6 29,-0.2 0.826 46.6 59.4-100.1 -38.9 34.0 36.7 20.8 113 121 A F E - d 0 141A 4 27,-2.5 29,-2.9 -4,-0.2 -62,-0.2 -0.782 46.0-163.2-111.5 140.7 30.3 36.1 20.3 114 122 A D E S+ 0 0 33 -64,-2.1 32,-2.1 -2,-0.4 2,-0.4 0.783 91.9 20.4 -77.3 -31.4 27.1 38.2 20.4 115 123 A L E -bd 51 146A 1 -65,-1.6 -63,-2.4 30,-0.2 2,-0.5 -0.991 60.1-165.0-141.6 130.3 25.0 35.1 20.6 116 124 A I E -bd 52 147A 0 30,-2.4 32,-2.9 -2,-0.4 2,-0.4 -0.987 25.0-176.5-112.2 125.5 25.8 31.5 21.6 117 125 A Y E +bd 53 148A 1 -65,-3.1 -63,-2.8 -2,-0.5 2,-0.3 -0.927 14.1 170.7-131.9 136.8 23.0 29.3 20.5 118 126 A S E - 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0 0 20 -5,-1.8 2,-0.5 -6,-0.2 -49,-0.2 -0.481 37.0-145.7 -76.1 154.6 22.0 10.9 27.1 174 182 A T - 0 0 42 -51,-2.7 2,-0.6 -49,-0.2 -49,-0.2 -0.925 22.8-175.1-119.8 105.1 22.5 12.8 30.3 175 183 A L + 0 0 7 -2,-0.5 2,-0.2 -22,-0.1 -22,-0.2 -0.888 5.2 174.5-108.5 119.8 19.2 14.3 31.2 176 184 A I - 0 0 14 -2,-0.6 -22,-1.8 -24,-0.4 2,-0.1 -0.609 37.7 -84.3-113.9 174.6 18.9 16.6 34.2 177 185 A T > - 0 0 9 -24,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.415 33.9-115.7 -79.2 157.3 16.0 18.7 35.6 178 186 A V H > S+ 0 0 5 -24,-0.2 4,-2.2 1,-0.2 5,-0.2 0.882 118.4 53.5 -54.6 -38.1 15.3 22.2 34.3 179 187 A E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 107.4 48.1 -65.9 -41.6 16.1 23.4 37.7 180 188 A E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 110.5 52.9 -66.0 -39.7 19.5 21.8 37.9 181 189 A Y H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.930 109.2 48.4 -60.8 -48.7 20.3 23.1 34.4 182 190 A A H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.877 108.3 55.2 -58.8 -40.4 19.4 26.7 35.5 183 191 A D H X S+ 0 0 109 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.832 104.5 54.3 -62.7 -34.6 21.6 26.2 38.6 184 192 A I H X S+ 0 0 21 -4,-1.6 4,-1.6 -3,-0.2 -2,-0.2 0.949 108.6 47.7 -63.9 -49.1 24.6 25.3 36.4 185 193 A L H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-0.2 0.917 113.4 48.0 -57.4 -44.9 24.2 28.5 34.4 186 194 A T H ><5S+ 0 0 80 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.921 109.1 53.5 -62.7 -42.9 23.9 30.5 37.6 187 195 A A H 3<5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 103.7 57.2 -61.9 -27.8 27.0 28.7 39.0 188 196 A C T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.291 121.5-111.2 -86.5 8.1 28.9 29.8 35.8 189 197 A N T < 5 + 0 0 89 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.585 61.6 156.3 73.6 14.9 28.0 33.4 36.7 190 198 A F < - 0 0 8 -5,-1.9 3,-0.3 1,-0.1 2,-0.2 -0.385 32.0-140.0 -62.9 150.6 25.6 34.1 33.9 191 199 A K E S+F 256 0A 78 65,-3.2 65,-2.6 1,-0.2 3,-0.2 -0.686 72.8 23.8-112.0 165.8 23.2 36.9 34.7 192 200 A N E S- 0 0 115 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.836 78.6-169.9 50.2 39.2 19.4 37.3 34.0 193 201 A V E - 0 0 40 -3,-0.3 2,-0.5 62,-0.1 62,-0.2 -0.461 5.8-174.6 -68.1 116.0 19.1 33.5 33.8 194 202 A V E -F 254 0A 64 60,-3.2 60,-2.5 -2,-0.5 2,-0.4 -0.954 2.9-175.4-113.8 125.7 15.6 32.7 32.5 195 203 A S E -F 253 0A 53 -2,-0.5 2,-0.4 58,-0.2 58,-0.2 -0.980 1.8-171.6-121.6 135.0 14.5 29.1 32.4 196 204 A K E -F 252 0A 96 56,-2.5 56,-2.4 -2,-0.4 2,-1.0 -0.986 22.9-139.9-123.7 132.3 11.2 27.9 30.9 197 205 A D E +F 251 0A 67 -2,-0.4 3,-0.3 54,-0.2 54,-0.2 -0.819 26.7 177.0 -84.5 104.0 9.7 24.5 31.1 198 206 A L > + 0 0 37 52,-2.7 4,-2.9 -2,-1.0 5,-0.2 -0.032 35.1 125.1-101.6 29.5 8.3 24.3 27.5 199 207 A S H > S+ 0 0 0 51,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.836 71.2 52.6 -58.2 -37.9 7.0 20.7 27.7 200 208 A D H > S+ 0 0 102 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.921 113.1 43.5 -66.2 -44.4 3.5 21.7 26.7 201 209 A Y H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 113.1 52.7 -63.9 -44.3 4.7 23.5 23.6 202 210 A W H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.921 106.5 53.5 -55.9 -44.1 7.1 20.6 22.9 203 211 A N H X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.896 107.4 51.5 -58.4 -40.9 4.2 18.2 23.2 204 212 A Q H X S+ 0 0 120 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 109.6 48.9 -61.4 -45.0 2.4 20.3 20.6 205 213 A L H X S+ 0 0 21 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 110.6 51.2 -61.2 -44.5 5.3 20.1 18.2 206 214 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.866 108.1 51.9 -59.7 -39.2 5.6 16.3 18.7 207 215 A E H X S+ 0 0 94 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 110.8 47.4 -69.0 -38.5 1.9 15.9 17.9 208 216 A V H X S+ 0 0 103 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.929 114.4 46.5 -64.3 -48.5 2.2 17.9 14.6 209 217 A E H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.899 112.0 51.8 -59.9 -42.1 5.3 15.9 13.6 210 218 A H H X S+ 0 0 20 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.902 109.9 47.8 -63.8 -43.0 3.6 12.7 14.5 211 219 A K H X S+ 0 0 124 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 110.8 52.3 -64.3 -42.2 0.5 13.5 12.4 212 220 A Y H X S+ 0 0 104 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.912 107.6 52.6 -56.7 -46.2 2.8 14.4 9.5 213 221 A L H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.937 111.5 45.5 -55.5 -49.3 4.6 11.1 9.8 214 222 A H H >< S+ 0 0 85 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.876 112.6 50.1 -64.6 -37.9 1.3 9.2 9.6 215 223 A E H 3< S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.710 116.3 42.4 -76.4 -18.8 -0.0 11.2 6.7 216 224 A N T 3X S+ 0 0 51 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.3 0.001 76.0 120.6-115.1 28.8 3.2 10.7 4.8 217 225 A K H <> S+ 0 0 82 -3,-1.0 4,-2.9 1,-0.2 5,-0.2 0.879 70.7 55.5 -62.5 -42.4 3.8 7.0 5.5 218 226 A E H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 112.2 43.1 -58.6 -49.2 3.7 5.8 1.9 219 227 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 112.7 53.4 -61.8 -42.1 6.5 8.3 1.0 220 228 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 107.6 51.4 -58.3 -44.4 8.4 7.4 4.1 221 229 A L H < S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.2 50.1 -64.0 -38.5 8.3 3.7 3.3 222 230 A K H < S+ 0 0 150 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.4 41.8 -63.7 -39.1 9.6 4.3 -0.2 223 231 A L H < S- 0 0 92 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.832 135.7 -3.6 -77.6 -34.4 12.5 6.4 1.1 224 232 A F S < S- 0 0 36 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.1 0.275 93.2 -77.7-126.4-115.0 13.4 4.2 4.1 225 233 A S > - 0 0 43 1,-0.1 4,-1.8 -5,-0.1 5,-0.1 -0.978 27.7-110.3-156.4 163.1 11.7 1.0 5.4 226 234 A E H > S+ 0 0 115 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.867 117.7 57.8 -64.7 -35.1 8.7 -0.1 7.4 227 235 A K H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 107.6 45.8 -60.8 -45.5 11.1 -1.1 10.3 228 236 A K H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 111.0 54.9 -64.9 -35.6 12.4 2.5 10.5 229 237 A F H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.929 108.4 47.0 -62.0 -45.5 8.9 3.8 10.3 230 238 A I H X S+ 0 0 76 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.924 111.9 50.7 -64.9 -43.9 7.8 1.8 13.3 231 239 A S H X S+ 0 0 71 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.922 115.1 42.5 -58.5 -46.1 10.8 2.7 15.4 232 240 A L H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.917 114.7 50.6 -68.2 -44.1 10.3 6.4 14.7 233 241 A D H X S+ 0 0 32 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.944 113.7 44.0 -58.1 -52.1 6.5 6.2 15.2 234 242 A D H X S+ 0 0 94 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.852 111.3 56.1 -61.2 -36.7 6.9 4.4 18.5 235 243 A G H X S+ 0 0 24 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.896 110.2 42.8 -66.1 -42.3 9.6 6.8 19.5 236 244 A W H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.879 109.4 59.3 -70.6 -40.2 7.5 9.9 19.0 237 245 A S H X S+ 0 0 50 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.913 108.3 45.3 -51.7 -46.0 4.5 8.1 20.7 238 246 A R H X S+ 0 0 14 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.916 110.6 51.8 -67.5 -42.9 6.7 7.7 23.9 239 247 A K H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.887 110.6 50.5 -59.5 -36.6 7.9 11.3 23.8 240 248 A I H X S+ 0 0 18 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.940 114.5 42.8 -66.0 -48.0 4.3 12.5 23.5 241 249 A K H X S+ 0 0 109 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.923 117.1 46.2 -61.9 -46.4 3.3 10.3 26.5 242 250 A D H <>S+ 0 0 0 -4,-3.4 5,-2.0 1,-0.2 6,-1.4 0.812 112.1 49.3 -74.7 -28.7 6.3 11.2 28.6 243 251 A S H ><5S+ 0 0 0 -4,-2.2 3,-0.7 -5,-0.3 -1,-0.2 0.831 106.8 58.2 -74.8 -31.6 6.1 15.0 27.9 244 252 A K H 3<5S+ 0 0 166 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.4 36.8 -64.0 -42.7 2.4 14.9 28.8 245 253 A R T 3<5S- 0 0 105 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.302 114.3-118.2 -94.1 9.3 3.1 13.5 32.3 246 254 A K T < 5S+ 0 0 62 -3,-0.7 -3,-0.2 2,-0.3 3,-0.1 0.683 79.9 122.6 65.6 21.8 6.3 15.6 32.6 247 255 A X S