==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-07 2QG7 . COMPND 2 MOLECULE: ETHANOLAMINE KINASE PV091845; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR V.V.LUNIN,A.K.WERNIMONT,A.MULICHAK,J.LEW,G.WASNEY, . 1467 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 96 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 569 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 6 4 0 1 0 1 6 14 4 2 4 3 7 3 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 4 4 8 6 3 2 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 . 4 3 1 4 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 50 A Y 0 0 232 0, 0.0 30,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -65.8 43.3 -13.6 33.8 2 51 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 30,-0.3 -0.523 360.0-103.2 -69.6 140.6 42.0 -15.0 37.2 3 52 A I B -a 32 0A 2 28,-3.6 30,-2.2 -2,-0.2 31,-0.3 -0.505 47.6-150.9 -60.6 122.5 39.7 -12.5 39.1 4 53 A T > - 0 0 36 -2,-0.3 4,-1.0 28,-0.2 3,-0.2 -0.553 27.0-114.8-100.4 160.5 41.9 -11.0 41.8 5 54 A E T 4 S+ 0 0 47 1,-0.2 3,-0.5 2,-0.2 4,-0.1 0.876 120.8 52.4 -55.4 -40.3 41.2 -9.6 45.3 6 55 A S T >4 S+ 0 0 76 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.785 99.4 63.3 -67.2 -32.0 42.4 -6.2 43.9 7 56 A N T 34 S+ 0 0 55 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.831 109.4 39.8 -57.4 -34.3 40.0 -6.5 41.0 8 57 A L T 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.281 82.8 137.3-104.1 8.4 37.0 -6.4 43.4 9 58 A R < - 0 0 126 -3,-0.9 2,-0.6 -4,-0.1 -3,-0.1 -0.335 39.5-156.5 -58.6 128.1 38.4 -3.8 45.8 10 59 A I - 0 0 40 -2,-0.1 2,-0.1 4,-0.0 3,-0.1 -0.957 17.2-135.0-109.8 116.6 35.8 -1.2 46.9 11 60 A L > - 0 0 114 -2,-0.6 3,-1.9 1,-0.1 0, 0.0 -0.408 26.5 -92.4 -78.3 147.3 37.4 2.1 48.0 12 61 A E T 3 S+ 0 0 204 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.262 113.3 27.6 -52.6 132.4 36.4 4.1 51.2 13 62 A G T 3 S+ 0 0 86 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.468 94.9 112.3 87.5 3.4 33.8 6.7 50.3 14 63 A E S < S- 0 0 82 -3,-1.9 2,-0.5 -4,-0.0 -1,-0.3 -0.868 80.0-101.7-106.0 142.4 32.3 4.8 47.3 15 64 A D > - 0 0 98 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.497 28.8-154.9 -64.5 114.9 28.7 3.3 47.4 16 65 A R H > S+ 0 0 83 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.911 89.4 54.0 -58.2 -46.2 29.2 -0.4 48.1 17 66 A S H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.841 114.7 38.9 -60.5 -41.9 25.9 -1.4 46.5 18 67 A E H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 114.9 52.6 -76.9 -36.2 26.6 0.4 43.2 19 68 A K H X S+ 0 0 45 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.813 110.4 48.8 -69.4 -28.7 30.3 -0.6 43.0 20 69 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.834 107.2 54.7 -80.0 -37.0 29.4 -4.2 43.5 21 70 A K H X S+ 0 0 92 -4,-1.2 4,-0.9 -5,-0.2 -2,-0.2 0.873 111.0 46.8 -57.5 -41.6 26.7 -4.1 40.8 22 71 A E H X S+ 0 0 100 -4,-1.8 4,-1.5 1,-0.2 3,-0.3 0.871 111.8 50.3 -67.9 -41.2 29.5 -2.7 38.4 23 72 A L H X S+ 0 0 7 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.746 105.6 55.7 -72.4 -22.9 31.9 -5.4 39.5 24 73 A L H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.762 111.0 44.8 -81.0 -26.9 29.4 -8.3 39.0 25 74 A K H < S+ 0 0 140 -4,-0.9 -2,-0.2 -3,-0.3 3,-0.2 0.801 114.9 48.3 -79.8 -33.5 28.9 -7.2 35.3 26 75 A K H < S+ 0 0 149 -4,-1.5 2,-0.6 1,-0.2 -2,-0.2 0.795 114.0 46.0 -79.6 -32.2 32.5 -6.7 34.7 27 76 A Y < + 0 0 50 -4,-1.5 -1,-0.2 1,-0.1 -4,-0.0 -0.898 60.5 133.9-120.7 99.7 33.7 -10.0 36.2 28 77 A V + 0 0 64 -2,-0.6 -1,-0.1 -3,-0.2 -2,-0.1 0.404 43.8 94.7-120.6 -4.6 31.6 -13.0 35.0 29 78 A S S S- 0 0 55 2,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.711 77.9-140.6 -68.2 -23.7 34.2 -15.7 34.1 30 79 A N + 0 0 6 1,-0.2 2,-0.5 62,-0.1 -1,-0.1 0.743 58.5 127.5 66.9 30.5 34.0 -17.3 37.6 31 80 A V - 0 0 33 -30,-0.2 -28,-3.6 61,-0.1 2,-0.3 -0.977 36.0-178.6-119.0 119.9 37.8 -17.9 37.8 32 81 A F B -a 3 0A 29 -2,-0.5 -28,-0.2 -30,-0.3 3,-0.1 -0.888 34.2-130.5-125.6 150.3 39.3 -16.5 41.0 33 82 A E S S- 0 0 96 -30,-2.2 2,-0.3 -2,-0.3 -29,-0.1 0.862 86.7 -4.5 -67.6 -37.9 42.9 -16.4 42.3 34 83 A N S > S- 0 0 66 -31,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.933 74.8 -96.5-149.7 170.0 42.0 -17.8 45.7 35 84 A E H > S+ 0 0 103 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.852 119.8 59.8 -56.8 -38.9 39.2 -18.8 48.0 36 85 A K H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.872 106.2 45.5 -57.2 -45.9 39.2 -15.4 49.6 37 86 A T H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.887 108.8 57.4 -66.1 -43.6 38.5 -13.7 46.3 38 87 A L H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 109.7 45.2 -46.4 -49.8 35.8 -16.2 45.6 39 88 A Y H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.861 107.3 55.5 -71.9 -34.7 34.0 -15.2 48.9 40 89 A I H X S+ 0 0 32 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.906 111.7 46.2 -61.3 -38.8 34.3 -11.5 48.4 41 90 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.2 0.892 108.8 54.8 -70.5 -43.3 32.6 -12.0 45.0 42 91 A C H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.853 102.6 58.6 -56.7 -33.9 30.0 -14.3 46.8 43 92 A K H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 107.4 45.2 -62.5 -41.7 29.3 -11.4 49.1 44 93 A Y H X>S+ 0 0 12 -4,-1.2 4,-3.0 -3,-0.2 5,-0.6 0.854 108.4 57.1 -70.9 -36.6 28.4 -9.1 46.2 45 94 A V H X>S+ 0 0 0 -4,-2.2 5,-1.4 2,-0.2 4,-1.4 0.948 112.0 42.4 -52.6 -49.3 26.2 -11.8 44.6 46 95 A M H <5S+ 0 0 0 -4,-2.1 8,-0.3 3,-0.2 -2,-0.2 0.873 116.3 50.2 -70.0 -36.3 24.3 -11.9 47.9 47 96 A L H <5S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.936 125.7 21.2 -61.0 -51.8 24.3 -8.1 48.1 48 97 A H H ><5S+ 0 0 40 -4,-3.0 3,-0.6 2,-0.1 -3,-0.2 0.908 136.8 28.9 -89.1 -52.8 23.0 -7.3 44.6 49 98 A Y T 3<>< + 0 0 0 -5,-1.4 4,-2.1 -6,-0.2 3,-0.9 -0.185 67.0 119.4-108.1 41.4 20.2 -11.8 46.8 51 100 A K T <4 S+ 0 0 111 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.651 76.3 53.7 -82.7 -11.4 18.5 -8.7 48.3 52 101 A D T 34 S+ 0 0 152 -3,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.320 116.3 38.9 -95.8 6.4 15.2 -10.4 48.6 53 102 A L T <4 S+ 0 0 38 -3,-0.9 2,-0.4 1,-0.4 -2,-0.2 0.655 125.3 26.2-121.3 -44.3 16.7 -13.3 50.5 54 103 A V S < S- 0 0 3 -4,-2.1 -1,-0.4 -8,-0.3 5,-0.1 -0.999 89.0-110.4-129.6 130.6 19.2 -11.7 52.8 55 104 A N > - 0 0 69 -2,-0.4 3,-2.2 1,-0.1 -3,-0.1 -0.367 22.5-129.3 -58.7 129.1 18.9 -8.1 54.0 56 105 A P G > S+ 0 0 50 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.704 108.5 59.9 -52.3 -26.8 21.6 -5.8 52.4 57 106 A N G 3 S+ 0 0 152 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.668 102.1 53.9 -72.8 -19.4 22.5 -4.6 55.9 58 107 A E G < S+ 0 0 49 -3,-2.2 3,-0.4 1,-0.2 23,-0.2 -0.005 71.6 105.8-108.1 32.7 23.4 -8.1 56.9 59 108 A V S X S+ 0 0 1 -3,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.780 75.4 59.0 -83.6 -29.3 25.9 -9.1 54.2 60 109 A D T 3 S+ 0 0 102 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.520 101.4 57.8 -75.0 -3.8 29.0 -8.7 56.5 61 110 A S T 3 S+ 0 0 63 -3,-0.4 19,-0.8 2,-0.1 -1,-0.2 0.454 83.0 110.8 -98.7 -0.8 27.4 -11.4 58.8 62 111 A L E < -B 79 0B 17 -3,-1.0 2,-0.4 17,-0.2 17,-0.2 -0.496 55.7-151.8 -77.4 137.6 27.2 -14.0 56.0 63 112 A E E -B 78 0B 46 15,-2.7 15,-2.9 -2,-0.2 2,-0.4 -0.909 10.1-158.7-106.5 146.7 29.5 -17.0 56.2 64 113 A F E +B 77 0B 37 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.959 13.4 177.2-128.4 135.3 30.7 -18.8 53.1 65 114 A Q E -B 76 0B 90 11,-2.0 11,-3.5 -2,-0.4 2,-0.3 -0.963 28.7-129.8-135.4 123.9 32.0 -22.3 52.5 66 115 A I E -B 75 0B 44 -2,-0.3 2,-0.5 9,-0.3 9,-0.2 -0.551 26.1-138.6 -67.0 125.0 33.0 -23.7 49.1 67 116 A I E -B 74 0B 50 7,-3.1 2,-0.9 -2,-0.3 7,-0.6 -0.785 5.1-150.9 -88.4 122.2 31.3 -27.1 48.7 68 117 A N 0 0 165 -2,-0.5 -1,-0.1 1,-0.2 7,-0.1 -0.217 360.0 360.0 -83.3 44.6 33.5 -29.8 47.2 69 118 A G 0 0 84 -2,-0.9 -1,-0.2 5,-0.1 4,-0.1 0.230 360.0 360.0 171.7 360.0 30.3 -31.4 45.8 70 ! 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 71 121 A T 0 0 151 0, 0.0 21,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.6 31.7 -28.0 36.4 72 122 A N E - C 0 91B 55 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.919 360.0 -91.5-160.7 174.3 30.9 -24.9 38.5 73 123 A I E - C 0 90B 34 17,-2.4 17,-2.7 -2,-0.3 2,-0.5 -0.892 31.8-161.2-102.5 126.8 31.6 -23.6 42.0 74 124 A L E -BC 67 89B 25 -7,-0.6 -7,-3.1 -2,-0.5 2,-0.5 -0.956 10.5-168.7-107.7 124.9 29.0 -24.4 44.6 75 125 A I E -BC 66 88B 0 13,-2.5 13,-2.5 -2,-0.5 2,-0.4 -0.964 17.2-138.9-122.1 120.7 29.2 -22.1 47.7 76 126 A K E -BC 65 87B 61 -11,-3.5 -11,-2.0 -2,-0.5 2,-0.5 -0.636 22.1-162.1 -70.7 126.3 27.4 -22.6 51.0 77 127 A V E -BC 64 86B 0 9,-3.3 9,-2.4 -2,-0.4 2,-0.5 -0.959 5.9-169.3-115.7 124.2 25.9 -19.3 52.4 78 128 A K E -BC 63 85B 46 -15,-2.9 -15,-2.7 -2,-0.5 2,-0.8 -0.961 14.9-155.2-117.9 118.6 24.9 -18.8 56.0 79 129 A D E > -BC 62 84B 1 5,-2.7 5,-1.3 -2,-0.5 4,-0.5 -0.809 12.4-170.6 -80.4 109.1 23.0 -15.8 57.2 80 130 A M T 5S+ 0 0 102 -2,-0.8 3,-0.2 -19,-0.8 -1,-0.2 0.834 79.4 60.3 -80.3 -29.8 24.2 -15.9 60.8 81 131 A S T 5S+ 0 0 64 -23,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.952 122.1 18.0 -54.9 -59.6 21.6 -13.3 61.7 82 132 A K T 5S- 0 0 148 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.209 102.6-121.9-102.1 12.6 18.4 -15.2 60.7 83 133 A Q T 5 + 0 0 154 -4,-0.5 2,-0.4 -3,-0.2 -3,-0.2 0.930 61.5 143.4 37.5 66.9 20.1 -18.6 60.7 84 134 A A E < -C 79 0B 26 -5,-1.3 -5,-2.7 2,-0.0 2,-0.3 -0.992 38.1-144.8-135.4 136.9 19.2 -19.4 57.0 85 135 A K E +C 78 0B 86 -2,-0.4 47,-0.7 -7,-0.2 2,-0.3 -0.794 17.7 175.8-109.0 146.9 21.3 -21.3 54.4 86 136 A Y E -CD 77 131B 31 -9,-2.4 -9,-3.3 -2,-0.3 2,-0.5 -0.944 22.3-134.3-140.8 160.2 21.6 -20.7 50.7 87 137 A L E -CD 76 130B 15 43,-2.5 43,-3.1 -2,-0.3 2,-0.6 -0.975 10.6-155.9-122.3 117.3 23.7 -22.1 47.8 88 138 A I E -CD 75 129B 0 -13,-2.5 -13,-2.5 -2,-0.5 2,-0.6 -0.837 8.7-160.0 -85.4 123.6 25.4 -19.9 45.3 89 139 A R E -CD 74 128B 14 39,-3.0 39,-2.1 -2,-0.6 2,-0.6 -0.933 4.8-168.6-104.6 111.3 26.0 -21.7 42.0 90 140 A L E -CD 73 127B 0 -17,-2.7 -17,-2.4 -2,-0.6 37,-0.3 -0.898 23.9-125.7-100.7 111.9 28.7 -20.0 39.9 91 141 A Y E -C 72 0B 18 35,-1.8 -19,-0.2 -2,-0.6 -17,-0.0 -0.272 27.2-120.8 -60.4 135.5 28.8 -21.4 36.3 92 142 A G 0 0 12 -21,-1.1 -62,-0.1 1,-0.1 -1,-0.1 -0.340 360.0 360.0 -81.0 158.5 32.1 -22.7 35.1 93 143 A P 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -63,-0.1 0.865 360.0 360.0 -72.1 360.0 34.3 -21.5 32.1 94 ! 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 95 145 A T 0 0 62 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 0.000 360.0 360.0 360.0 127.8 29.6 -25.4 31.2 96 146 A D - 0 0 36 1,-0.0 3,-0.4 2,-0.0 248,-0.1 -0.802 360.0-117.6-108.3 153.1 28.5 -25.9 27.6 97 147 A E S S+ 0 0 109 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.159 96.5 85.7 -76.8 18.0 26.2 -23.8 25.4 98 148 A I + 0 0 40 2,-0.1 2,-0.4 242,-0.0 -1,-0.2 -0.207 67.3 90.4-111.5 36.8 23.6 -26.6 24.9 99 149 A I S S- 0 0 31 -3,-0.4 2,-0.9 -4,-0.0 171,-0.1 -0.989 72.0-142.0-122.7 123.3 21.7 -25.9 28.2 100 150 A N > - 0 0 28 169,-0.5 4,-2.0 -2,-0.4 5,-0.1 -0.771 16.8-175.2 -85.8 101.9 18.8 -23.5 27.7 101 151 A R H > S+ 0 0 40 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.826 83.3 56.7 -66.2 -33.2 18.9 -21.3 30.9 102 152 A E H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 109.4 44.2 -69.1 -39.8 15.7 -19.5 29.8 103 153 A R H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.870 112.9 53.4 -62.2 -43.6 13.8 -22.8 29.5 104 154 A E H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 108.0 50.4 -61.7 -43.1 15.4 -23.9 32.9 105 155 A K H X S+ 0 0 87 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.883 110.4 49.9 -55.9 -45.3 14.1 -20.6 34.4 106 156 A K H X S+ 0 0 60 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.913 113.1 44.1 -64.7 -46.9 10.5 -21.2 33.1 107 157 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.876 108.2 60.0 -66.0 -38.9 10.3 -24.8 34.4 108 158 A S H X S+ 0 0 14 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.880 106.0 48.4 -53.7 -38.4 11.8 -23.5 37.7 109 159 A C H >< S+ 0 0 91 -4,-1.5 3,-0.6 1,-0.2 4,-0.3 0.884 107.6 53.0 -73.1 -40.4 8.8 -21.2 38.0 110 160 A I H 3< S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.790 117.0 40.9 -57.4 -29.8 6.3 -23.9 37.3 111 161 A L H >< S+ 0 0 7 -4,-1.5 3,-1.4 1,-0.1 6,-0.5 0.481 80.9 103.7 -99.5 -6.7 7.9 -26.0 40.1 112 162 A Y T << S+ 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4,-1.1 2,-0.2 -1,-0.2 0.765 115.7 49.5 -73.5 -30.4 9.7 -42.6 46.7 152 202 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 3,-0.4 0.958 110.1 49.5 -75.1 -51.0 11.3 -41.7 43.3 153 203 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.832 112.1 50.3 -50.4 -41.0 8.5 -43.1 41.2 154 204 A K H X S+ 0 0 100 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.810 112.5 44.3 -72.9 -32.2 6.0 -41.1 43.3 155 205 A N H X S+ 0 0 10 -4,-1.1 4,-1.5 -3,-0.4 -2,-0.2 0.787 113.1 53.8 -81.6 -29.7 7.9 -37.9 43.0 156 206 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.885 106.2 51.9 -66.0 -42.8 8.3 -38.7 39.3 157 207 A K H X S+ 0 0 50 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 107.1 52.6 -59.2 -46.7 4.5 -39.1 38.8 158 208 A L H < S+ 0 0 101 -4,-1.5 4,-0.2 2,-0.2 -1,-0.2 0.874 112.1 45.7 -57.0 -41.1 3.9 -35.8 40.5 159 209 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 83,-0.4 0.941 112.4 51.1 -65.4 -47.7 6.3 -34.1 38.0 160 210 A H H 3< S+ 0 0 4 -4,-2.9 82,-0.3 1,-0.2 -2,-0.2 0.740 106.5 55.6 -59.1 -28.1 4.8 -36.0 35.1 161 211 A D T 3< S+ 0 0 75 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4,-0.8 2,-0.2 -1,-0.2 0.749 112.5 45.6 -74.1 -21.4 6.7 -20.2 25.4 172 222 A L H X S+ 0 0 1 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.820 110.1 54.8 -79.8 -39.3 8.8 -23.4 26.0 173 223 A Q H X>S+ 0 0 18 -4,-1.8 5,-1.5 1,-0.2 4,-0.7 0.857 107.9 48.6 -61.4 -40.7 8.6 -24.2 22.3 174 224 A V H <5S+ 0 0 118 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.845 104.9 58.7 -71.5 -34.4 10.0 -20.8 21.3 175 225 A T H <5S+ 0 0 39 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.907 123.3 23.7 -56.7 -43.2 12.9 -21.1 23.7 176 226 A Q H <5S- 0 0 21 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.345 104.5-124.3-106.1 5.9 14.1 -24.3 22.0 177 227 A K T <5 + 0 0 76 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.807 50.2 161.5 51.3 38.6 12.5 -23.7 18.6 178 228 A V < - 0 0 7 -5,-1.5 -1,-0.2 -6,-0.2 2,-0.1 -0.794 25.0-149.7 -86.9 119.8 10.5 -27.1 18.6 179 229 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 -0.413 48.3 51.2 -91.0 167.7 7.6 -27.0 16.1 180 230 A G S S- 0 0 59 -2,-0.1 2,-0.5 3,-0.1 -7,-0.0 -0.563 88.7 -62.6 103.0-170.9 4.2 -28.7 16.1 181 231 A T S S- 0 0 110 1,-0.2 -15,-0.0 -2,-0.2 -11,-0.0 -0.972 111.2 -10.0-121.0 127.4 1.4 -28.9 18.7 182 232 A R S S+ 0 0 115 -2,-0.5 -1,-0.2 1,-0.1 58,-0.2 0.933 96.8 179.8 52.8 47.4 2.0 -30.5 22.1 183 233 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.419 33.1-114.6 -85.9 156.4 5.3 -31.8 20.8 184 234 A S - 0 0 17 1,-0.1 4,-0.3 -2,-0.1 90,-0.3 -0.667 13.8-153.4 -75.7 135.8 8.1 -33.9 22.4 185 235 A F S > S+ 0 0 0 88,-3.6 4,-1.5 -2,-0.3 89,-0.2 0.524 78.0 89.1 -83.0 -5.8 11.4 -32.0 22.7 186 236 A L H > S+ 0 0 0 87,-0.3 4,-2.2 1,-0.2 3,-0.2 0.916 86.6 38.5 -63.6 -53.7 13.2 -35.3 22.6 187 237 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.793 112.6 57.4 -70.9 -32.7 13.8 -35.9 18.9 188 238 A N H > S+ 0 0 55 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.861 109.8 46.7 -60.6 -38.3 14.6 -32.3 18.2 189 239 A T H X S+ 0 0 13 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.923 111.6 49.1 -72.0 -48.4 17.4 -32.5 20.9 190 240 A I H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 47.5 -58.0 -46.8 18.8 -35.8 19.6 191 241 A W H X S+ 0 0 56 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.839 108.3 55.4 -66.4 -31.6 18.9 -34.5 16.0 192 242 A K H X S+ 0 0 78 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.957 110.1 45.7 -64.8 -49.6 20.5 -31.3 17.1 193 243 A Y H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 112.4 52.7 -53.7 -44.9 23.3 -33.3 18.8 194 244 A F H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.922 112.4 41.5 -60.9 -49.3 23.7 -35.5 15.7 195 245 A H H X S+ 0 0 88 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.802 111.4 55.3 -72.9 -32.2 24.1 -32.7 13.2 196 246 A L H X S+ 0 0 73 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.894 115.8 40.1 -61.7 -40.5 26.4 -30.6 15.4 197 247 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.894 112.6 53.2 -75.2 -45.3 28.6 -33.7 15.6 198 248 A N H X S+ 0 0 4 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.784 109.2 52.5 -57.1 -29.4 28.3 -34.7 12.0 199 249 A E H X S+ 0 0 117 -4,-1.3 4,-0.6 2,-0.2 3,-0.3 0.886 109.3 46.4 -74.3 -43.8 29.3 -31.1 11.2 200 250 A E H >< S+ 0 0 62 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.889 108.0 60.3 -58.0 -40.7 32.5 -31.3 13.3 201 251 A R H 3< S+ 0 0 53 -4,-2.3 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-3,-1.6 961,-0.3 -4,-0.3 -1,-0.2 0.444 90.1 111.4-107.8 -3.6 24.2 -51.6 19.9 365 451 A L S X> S- 0 0 14 -3,-1.0 4,-2.2 -4,-0.4 3,-1.7 -0.552 70.7-130.8 -80.4 137.0 24.5 -54.2 22.6 366 452 A P H 3> S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.793 103.6 67.0 -52.4 -35.9 22.1 -57.1 22.5 367 453 A I H 34 S+ 0 0 78 1,-0.2 -5,-0.0 2,-0.2 954,-0.0 0.758 114.4 30.1 -62.2 -24.3 21.1 -56.7 26.2 368 454 A F H X4 S+ 0 0 1 -3,-1.7 3,-0.9 -6,-0.3 4,-0.4 0.785 120.1 51.7 -97.4 -36.6 19.5 -53.4 25.2 369 455 A R H >< S+ 0 0 14 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.725 103.4 59.4 -71.4 -25.3 18.4 -54.2 21.6 370 456 A S T 3< S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.1 0.533 90.2 71.4 -83.2 -8.4 16.7 -57.4 22.7 371 457 A K T < 0 0 49 -3,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.756 360.0 360.0 -74.0 -30.0 14.3 -55.5 25.0 372 458 A V < 0 0 71 -3,-0.6 -48,-0.0 -4,-0.4 949,-0.0 -0.206 360.0 360.0 -71.7 360.0 12.5 -54.0 22.0 373 !* 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 0.0 374 54 B E > 0 0 73 0, 0.0 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1,-0.1 4,-0.8 -3,-0.1 -1,-0.1 -0.537 28.2-150.2 -69.8 126.1 -0.6 -139.6 -6.7 385 65 B R T 4 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.855 86.4 36.5 -68.2 -36.9 -1.2 -135.8 -7.0 386 66 B S T > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.865 115.5 46.2 -92.1 -42.4 -2.3 -135.1 -3.4 387 67 B E T 4 S+ 0 0 129 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.676 120.6 44.0 -72.4 -18.5 -0.1 -137.3 -1.1 388 68 B K T X S+ 0 0 51 -4,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.491 105.6 63.8-100.0 -13.0 2.9 -136.2 -3.2 389 69 B A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.881 99.7 51.4 -72.6 -43.6 1.7 -132.6 -3.1 390 70 B K H X S+ 0 0 82 -4,-1.5 4,-1.7 1,-0.2 3,-0.3 0.899 108.3 53.8 -58.0 -43.8 2.1 -132.4 0.7 391 71 B E H > S+ 0 0 123 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.866 108.3 46.9 -60.1 -43.8 5.7 -133.7 0.3 392 72 B L H X S+ 0 0 10 -4,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.707 109.7 54.5 -73.2 -23.8 6.7 -131.0 -2.3 393 73 B L H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.848 112.9 41.5 -76.9 -38.9 5.2 -128.2 -0.1 394 74 B K H < S+ 0 0 130 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