==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-MAY-10 3MWA . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR Y.LIU,L.P.KOTRA,E.F.PAI . 652 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 34 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.9 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 5 1 1 3 2 0 2 0 4 2 0 0 3 3 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 7 5 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 2 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 -6 A G 0 0 130 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.6 6.4 -7.0 -55.7 2 -5 A L - 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.808 360.0-157.4-104.4 132.0 8.5 -10.1 -54.7 3 -4 A V - 0 0 67 -2,-0.4 2,-0.1 1,-0.0 3,-0.1 -0.895 22.2-126.2-105.2 132.5 10.8 -10.4 -51.8 4 -3 A P > - 0 0 85 0, 0.0 3,-2.7 0, 0.0 -1,-0.0 -0.451 41.4 -73.5 -78.9 152.9 13.6 -13.0 -51.9 5 -2 A R T 3 S+ 0 0 110 1,-0.3 132,-0.0 -2,-0.1 129,-0.0 -0.107 121.0 14.7 -42.4 126.5 14.2 -15.7 -49.2 6 -1 A G T 3 S+ 0 0 36 -3,-0.1 2,-0.3 131,-0.1 -1,-0.3 0.272 103.0 98.3 89.5 -10.6 15.7 -14.1 -46.1 7 0 A S < + 0 0 78 -3,-2.7 2,-0.3 2,-0.1 -2,-0.1 -0.380 68.3 63.7-114.2 57.4 14.9 -10.5 -47.1 8 1 A M S S- 0 0 47 -2,-0.3 2,-0.1 -5,-0.1 233,-0.0 -0.973 85.0 -87.4-162.1 164.3 11.7 -9.7 -45.2 9 2 A G >> - 0 0 8 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.339 42.4-109.1 -74.4 159.5 10.5 -9.2 -41.6 10 3 A F H 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.852 116.4 60.2 -60.5 -37.5 9.2 -12.2 -39.7 11 4 A K H 3> S+ 0 0 42 230,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.900 110.2 43.7 -54.2 -43.6 5.6 -11.1 -39.8 12 5 A V H <> S+ 0 0 34 -3,-0.5 4,-2.6 229,-0.5 5,-0.2 0.903 112.0 51.7 -69.1 -43.9 5.8 -11.2 -43.6 13 6 A K H X S+ 0 0 15 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.924 112.8 45.9 -60.9 -43.1 7.6 -14.6 -43.6 14 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.913 111.7 50.6 -65.4 -45.3 5.0 -16.1 -41.3 15 8 A E H X S+ 0 0 92 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.944 110.9 49.3 -59.7 -44.7 2.1 -14.8 -43.3 16 9 A K H X S+ 0 0 112 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.907 113.8 45.4 -62.4 -43.5 3.5 -16.1 -46.6 17 10 A R H X S+ 0 0 46 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.899 111.1 52.8 -67.3 -41.6 4.1 -19.5 -45.1 18 11 A R H X S+ 0 0 33 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.884 109.0 50.3 -60.6 -39.6 0.6 -19.6 -43.5 19 12 A N H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 113.2 48.4 -64.5 -32.8 -0.9 -18.7 -46.9 20 13 A A H < S+ 0 0 69 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.934 126.9 18.8 -71.2 -51.4 1.1 -21.6 -48.5 21 14 A I H < S- 0 0 26 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.532 87.9-138.3-111.4 -5.8 0.4 -24.4 -46.1 22 15 A N < + 0 0 88 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.1 0.846 62.5 97.7 57.9 46.6 -2.7 -23.3 -44.3 23 16 A T - 0 0 0 -6,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.932 62.6-143.9-147.0 174.5 -1.8 -24.4 -40.7 24 17 A C + 0 0 0 -2,-0.3 273,-2.2 293,-0.1 2,-0.3 0.175 50.2 140.1-126.5 15.5 -0.4 -23.2 -37.4 25 18 A L E -a 297 0A 0 79,-0.3 81,-2.6 271,-0.2 82,-1.1 -0.438 32.9-166.0 -57.4 125.3 1.5 -26.3 -36.4 26 19 A C E -ab 298 107A 0 271,-2.9 273,-2.6 -2,-0.3 2,-0.6 -0.964 12.9-145.6-112.9 117.5 4.9 -25.4 -34.9 27 20 A I E -ab 299 108A 0 80,-2.6 82,-2.4 -2,-0.5 2,-0.4 -0.747 8.6-144.4 -91.4 125.9 7.1 -28.5 -34.8 28 21 A G E - b 0 109A 0 271,-2.7 2,-0.6 -2,-0.6 276,-0.3 -0.689 8.5-163.7 -89.0 133.0 9.4 -28.7 -31.7 29 22 A L E + b 0 110A 0 80,-2.8 82,-0.5 -2,-0.4 85,-0.1 -0.823 30.2 146.2-120.6 90.9 12.8 -30.2 -32.2 30 23 A D - 0 0 18 -2,-0.6 2,-0.4 80,-0.2 80,-0.1 -0.735 27.1-169.9-125.4 75.2 14.1 -31.1 -28.8 31 24 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.558 4.7-160.6 -77.8 129.3 16.2 -34.2 -29.2 32 25 A D > - 0 0 26 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.462 36.2 -95.0 -98.4 178.4 17.3 -35.9 -26.0 33 26 A E H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 125.6 51.6 -59.9 -39.0 20.1 -38.4 -25.4 34 27 A K H > S+ 0 0 159 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 107.3 53.1 -65.6 -42.1 17.7 -41.3 -25.8 35 28 A D H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 113.2 43.0 -52.3 -49.4 16.4 -40.0 -29.1 36 29 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 115.3 48.2 -66.0 -50.8 19.9 -39.7 -30.5 37 30 A E H X S+ 0 0 75 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.886 113.3 48.6 -53.2 -47.1 21.0 -43.1 -29.2 38 31 A N H X S+ 0 0 76 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.914 109.2 52.1 -62.9 -48.0 17.9 -44.7 -30.6 39 32 A F H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.945 110.8 48.5 -53.2 -50.7 18.3 -43.1 -34.0 40 33 A M H X S+ 0 0 39 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.934 112.9 47.6 -55.0 -51.7 21.9 -44.5 -34.1 41 34 A K H X S+ 0 0 106 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.928 114.3 46.4 -54.2 -52.1 20.7 -47.9 -33.1 42 35 A N H X S+ 0 0 56 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.895 112.7 48.6 -60.1 -46.2 17.9 -48.0 -35.7 43 36 A E H ><>S+ 0 0 4 -4,-2.9 5,-3.2 -5,-0.2 3,-1.0 0.934 109.8 53.0 -62.4 -43.7 20.0 -46.7 -38.5 44 37 A K H ><5S+ 0 0 82 -4,-2.7 3,-0.7 -5,-0.3 -1,-0.2 0.876 109.9 49.6 -57.2 -36.4 22.7 -49.3 -37.7 45 38 A E H 3<5S+ 0 0 125 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.640 117.0 40.0 -74.2 -19.9 19.9 -52.0 -37.9 46 39 A N T X<5S- 0 0 83 -3,-1.0 3,-0.8 -4,-0.9 -1,-0.2 0.055 115.5-102.1-123.1 26.9 18.6 -50.8 -41.2 47 40 A N T < 5S- 0 0 97 -3,-0.7 -3,-0.2 1,-0.2 5,-0.1 0.842 72.7 -68.6 51.2 38.9 21.8 -49.9 -43.1 48 41 A Y T 3> S+ 0 0 94 -3,-0.8 4,-1.5 -6,-0.2 -1,-0.1 0.862 76.6 41.7 -49.4 -45.8 18.2 -45.8 -44.7 50 43 A N H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 111.5 53.1 -77.2 -39.1 17.3 -42.4 -43.3 51 44 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.936 108.1 52.6 -60.8 -44.1 20.9 -41.0 -43.2 52 45 A K H < S+ 0 0 95 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.899 109.1 49.8 -59.6 -38.1 21.2 -42.0 -46.9 53 46 A K H >X S+ 0 0 109 -4,-1.5 3,-1.3 -5,-0.2 4,-0.6 0.929 108.3 53.1 -65.1 -43.1 18.1 -40.0 -47.7 54 47 A N H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 6,-0.2 0.891 103.9 58.2 -51.8 -42.9 19.4 -37.0 -45.7 55 48 A L T 3< S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.601 100.6 55.2 -72.1 -11.2 22.6 -37.2 -47.8 56 49 A K T <4 S+ 0 0 167 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.630 81.4 105.3 -93.7 -10.7 20.7 -36.7 -51.1 57 50 A E S X< S- 0 0 74 -3,-1.3 3,-1.4 -4,-0.6 4,-0.3 -0.496 71.4-137.1 -74.6 131.8 19.0 -33.5 -49.9 58 51 A K G > S+ 0 0 136 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.859 93.9 59.6 -64.9 -35.2 20.6 -30.6 -51.7 59 52 A Y G > S+ 0 0 70 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.546 80.1 82.6 -77.9 -6.0 20.9 -28.2 -48.8 60 53 A I G X S+ 0 0 1 -3,-1.4 3,-1.0 1,-0.3 -1,-0.3 0.818 87.4 61.8 -60.4 -26.2 23.0 -30.4 -46.6 61 54 A N G < S+ 0 0 89 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.481 98.5 57.3 -75.0 -3.9 25.8 -29.0 -48.8 62 55 A N G < S+ 0 0 81 -3,-1.9 -1,-0.2 66,-0.1 2,-0.2 0.238 76.5 110.8-114.9 9.2 25.0 -25.5 -47.4 63 56 A V < - 0 0 1 -3,-1.0 4,-0.2 -4,-0.1 65,-0.1 -0.566 63.5-135.1 -84.5 156.0 25.4 -26.0 -43.7 64 57 A S S S+ 0 0 62 -2,-0.2 2,-0.5 63,-0.2 3,-0.2 0.811 72.0 69.8 -82.0 -37.1 28.4 -24.3 -42.0 65 58 A I S S- 0 0 34 59,-0.2 5,-0.2 1,-0.2 -1,-0.1 -0.797 109.6 -29.0-106.3 125.7 30.0 -26.9 -39.7 66 59 A K > + 0 0 67 -2,-0.5 4,-2.5 1,-0.1 3,-0.5 0.856 63.1 162.4 49.9 44.9 32.0 -30.0 -40.5 67 60 A K H > S+ 0 0 71 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.870 72.9 66.9 -56.2 -36.5 30.3 -30.8 -43.8 68 61 A D H 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.910 109.4 35.6 -48.8 -45.9 33.4 -33.0 -44.5 69 62 A I H >4 S+ 0 0 7 -3,-0.5 3,-1.4 1,-0.2 -2,-0.2 0.913 114.6 54.9 -75.8 -48.6 32.2 -35.3 -41.6 70 63 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.805 107.7 51.1 -56.8 -33.5 28.4 -34.9 -42.2 71 64 A L T 3< S+ 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.472 86.5 109.6 -88.5 -0.8 28.7 -36.1 -45.8 72 65 A K S < S- 0 0 67 -3,-1.4 -3,-0.0 -4,-0.2 -17,-0.0 -0.358 83.1 -93.1 -67.7 153.2 30.7 -39.2 -45.1 73 66 A A >> - 0 0 40 1,-0.1 4,-1.7 -2,-0.0 3,-1.0 -0.488 37.2-122.7 -56.4 134.4 29.2 -42.7 -45.5 74 67 A P H 3> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.832 110.8 54.9 -55.3 -39.9 27.8 -43.8 -42.1 75 68 A D H 3> S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.844 106.1 53.4 -68.0 -26.3 29.9 -46.9 -42.0 76 69 A N H <>>S+ 0 0 70 -3,-1.0 4,-3.1 2,-0.2 5,-0.6 0.889 107.0 52.0 -69.7 -37.4 33.0 -44.7 -42.5 77 70 A I H X5S+ 0 0 0 -4,-1.7 4,-1.9 3,-0.2 7,-0.2 0.949 111.8 45.3 -57.4 -52.6 32.0 -42.6 -39.6 78 71 A I H <5S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 124.9 32.0 -60.5 -43.4 31.6 -45.6 -37.3 79 72 A R H <5S+ 0 0 166 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.822 134.6 21.4 -86.1 -35.1 34.9 -47.2 -38.3 80 73 A E H <5S+ 0 0 118 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.523 123.9 44.7-115.7 -12.6 37.1 -44.2 -39.1 81 74 A E ><< + 0 0 53 -4,-1.9 3,-1.7 -5,-0.6 4,-0.5 -0.352 59.4 152.3-134.3 51.2 35.6 -41.2 -37.2 82 75 A K G > S+ 0 0 144 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.877 73.8 54.0 -54.0 -41.8 34.8 -42.6 -33.8 83 76 A S G 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.665 111.9 46.4 -72.7 -12.9 35.2 -39.2 -32.1 84 77 A E G <> S+ 0 0 33 -3,-1.7 4,-2.8 -7,-0.2 -1,-0.3 0.369 83.6 97.8-101.1 0.9 32.7 -37.7 -34.5 85 78 A E H <> S+ 0 0 45 -3,-1.5 4,-2.8 -4,-0.5 5,-0.3 0.934 85.0 45.9 -59.9 -48.1 30.1 -40.5 -34.3 86 79 A F H > S+ 0 0 60 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.927 113.2 49.2 -60.1 -48.7 27.9 -38.6 -31.8 87 80 A F H > S+ 0 0 2 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.938 113.4 49.2 -52.0 -50.5 28.1 -35.3 -33.7 88 81 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.935 115.0 39.8 -57.5 -55.5 27.2 -37.2 -36.9 89 82 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.842 115.8 52.3 -68.7 -33.5 24.2 -39.2 -35.6 90 83 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.967 114.0 43.2 -61.2 -52.3 22.9 -36.2 -33.5 91 84 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.918 114.3 49.9 -65.5 -39.0 23.0 -34.0 -36.6 92 85 A H H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.823 105.9 56.7 -70.0 -30.5 21.5 -36.6 -38.9 93 86 A F H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.960 109.5 46.4 -59.4 -50.9 18.7 -37.2 -36.4 94 87 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 112.7 47.9 -55.8 -46.9 17.8 -33.5 -36.6 95 88 A F H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 -1,-0.2 0.894 110.7 54.6 -63.1 -38.2 18.0 -33.4 -40.5 96 89 A Y H X S+ 0 0 26 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.941 108.8 45.3 -60.5 -51.5 15.8 -36.6 -40.5 97 90 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.929 115.7 48.6 -58.6 -48.6 13.0 -35.1 -38.4 98 91 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.950 113.3 45.9 -57.0 -50.0 13.2 -31.9 -40.5 99 92 A N H < S+ 0 0 34 -4,-3.4 4,-0.3 1,-0.2 -2,-0.2 0.903 116.2 45.9 -61.0 -42.8 13.1 -33.7 -43.8 100 93 A E H < S+ 0 0 42 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 127.0 24.0 -68.1 -31.2 10.3 -36.0 -42.7 101 94 A T H >< S+ 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 4,-0.4 0.557 87.8 97.7-117.2 -14.5 8.0 -33.3 -41.2 102 95 A N G >< S+ 0 0 36 -4,-2.3 3,-1.6 1,-0.3 -3,-0.1 0.789 75.0 66.5 -56.6 -31.9 8.8 -29.9 -42.8 103 96 A K G 3 S+ 0 0 112 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.700 107.3 43.2 -65.4 -16.8 5.9 -29.9 -45.3 104 97 A Y G < S+ 0 0 23 -3,-2.1 2,-0.5 3,-0.0 -1,-0.3 0.452 95.1 99.9 -99.2 -5.6 3.5 -29.7 -42.4 105 98 A A < - 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0 0 110 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.827 68.8 -69.5 56.5 38.4 55.9 -10.1 -27.2 373 41 B Y T 3> S+ 0 0 99 -3,-0.7 4,-1.5 -6,-0.3 -1,-0.1 0.882 72.1 41.0 -56.4 -45.9 54.3 -11.6 -22.1 375 43 B N H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.879 113.3 52.4 -75.5 -37.3 51.1 -12.8 -20.4 376 44 B I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.932 108.9 51.9 -61.0 -43.8 50.6 -15.9 -22.6 377 45 B K H X S+ 0 0 86 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.883 109.9 49.0 -60.3 -38.5 54.2 -16.9 -21.8 378 46 B K H >< S+ 0 0 94 -4,-1.5 3,-1.2 -5,-0.2 4,-0.5 0.913 108.4 54.1 -64.5 -45.2 53.3 -16.5 -18.1 379 47 B N H >< S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 6,-0.3 0.884 102.3 58.0 -52.8 -41.6 50.2 -18.6 -18.6 380 48 B L H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.670 99.4 59.3 -71.1 -14.6 52.3 -21.4 -20.1 381 49 B K T << S+ 0 0 180 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.3 0.577 82.5 101.3 -85.8 -10.6 54.4 -21.6 -17.0 382 50 B E X - 0 0 67 -3,-1.5 3,-0.8 -4,-0.5 4,-0.3 -0.579 68.5-141.9 -82.3 138.4 51.4 -22.5 -14.7 383 51 B K G > S+ 0 0 143 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.901 93.4 66.6 -64.4 -40.1 51.0 -26.1 -13.8 384 52 B Y G > S+ 0 0 58 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.699 83.8 72.3 -57.4 -27.7 47.2 -26.1 -14.0 385 53 B I G X S+ 0 0 0 -3,-0.8 3,-1.2 1,-0.3 -1,-0.3 0.782 85.4 69.3 -62.0 -23.4 47.1 -25.5 -17.8 386 54 B N G < S+ 0 0 78 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.568 96.7 54.1 -72.7 -6.7 48.3 -29.1 -18.2 387 55 B N G < S+ 0 0 88 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.310 72.7 119.4-115.1 9.3 44.9 -30.3 -16.9 388 56 B V < - 0 0 7 -3,-1.2 4,-0.2 -4,-0.1 65,-0.1 -0.509 55.3-143.0 -74.9 148.8 42.4 -28.6 -19.2 389 57 B S S S+ 0 0 71 -2,-0.1 2,-0.6 60,-0.1 3,-0.3 0.808 71.4 66.4 -80.1 -41.4 40.3 -31.1 -21.2 390 58 B I S S- 0 0 38 1,-0.2 5,-0.1 59,-0.2 -1,-0.1 -0.813 117.0 -25.8-107.3 119.1 39.8 -29.5 -24.6 391 59 B K S > S+ 0 0 74 -2,-0.6 4,-2.0 1,-0.1 3,-0.5 0.838 72.0 162.5 56.3 38.9 42.5 -28.9 -27.2 392 60 B K H > + 0 0 69 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 69.9 58.3 -55.2 -40.4 45.3 -28.7 -24.6 393 61 B D H > S+ 0 0 123 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.870 106.7 48.8 -65.7 -32.6 48.0 -29.3 -27.2 394 62 B I H >4 S+ 0 0 19 -3,-0.5 3,-1.2 2,-0.2 -1,-0.2 0.934 110.8 49.8 -63.6 -50.4 46.8 -26.2 -29.1 395 63 B L H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.806 108.3 55.0 -61.5 -29.7 46.8 -24.1 -25.8 396 64 B L H 3< S+ 0 0 58 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.600 87.2 101.9 -80.4 -14.8 50.3 -25.3 -25.1 397 65 B K S << S- 0 0 60 -3,-1.2 -17,-0.0 -4,-0.6 -3,-0.0 -0.321 83.8 -99.8 -66.2 153.9 51.8 -24.1 -28.4 398 66 B A >> - 0 0 37 1,-0.1 4,-2.1 4,-0.0 3,-1.0 -0.505 29.8-122.0 -70.3 143.4 53.8 -20.9 -28.6 399 67 B P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.844 111.5 60.5 -57.0 -36.3 51.8 -18.0 -30.0 400 68 B D H 3> S+ 0 0 72 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.879 110.1 43.1 -59.2 -34.0 54.2 -17.4 -32.9 401 69 B N H X>>S+ 0 0 48 -3,-1.0 4,-3.2 2,-0.2 3,-0.7 0.892 108.9 56.1 -80.0 -42.2 53.3 -21.0 -34.0 402 70 B I H 3X5S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 7,-0.2 0.923 106.2 51.4 -51.0 -48.4 49.6 -20.7 -33.4 403 71 B I H 3<5S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.728 121.1 32.8 -69.8 -20.4 49.3 -17.7 -35.7 404 72 B R H <<5S+ 0 0 159 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.806 132.7 21.5 -97.9 -42.3 51.2 -19.4 -38.5 405 73 B E H <5S+ 0 0 104 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.413 130.3 35.2-117.8 -3.8 50.3 -23.1 -38.3 406 74 B E ><< + 0 0 64 -4,-1.8 3,-2.0 -5,-0.5 4,-0.2 -0.233 67.4 146.3-139.2 49.3 47.0 -23.3 -36.4 407 75 B K G > + 0 0 124 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.824 68.5 61.6 -61.4 -34.2 45.3 -20.1 -37.6 408 76 B S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.733 106.2 49.5 -61.7 -22.6 41.8 -21.5 -37.4 409 77 B E G <> S+ 0 0 35 -3,-2.0 4,-2.9 -7,-0.2 -1,-0.3 0.319 81.6 101.5 -96.2 5.2 42.4 -22.0 -33.7 410 78 B E H <> S+ 0 0 54 -3,-1.7 4,-2.7 -4,-0.2 5,-0.3 0.929 82.9 44.1 -58.6 -48.0 43.7 -18.4 -33.2 411 79 B F H > S+ 0 0 55 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.950 114.5 50.2 -64.5 -48.6 40.4 -17.1 -31.7 412 80 B F H > S+ 0 0 2 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.931 112.4 48.5 -46.9 -52.7 40.1 -20.1 -29.4 413 81 B Y H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.925 114.9 41.7 -61.2 -50.5 43.7 -19.7 -28.2 414 82 B F H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.857 115.4 50.3 -70.2 -36.7 43.5 -16.0 -27.4 415 83 B F H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.955 114.4 44.3 -62.6 -51.2 40.0 -16.3 -25.8 416 84 B N H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.925 114.1 50.2 -61.5 -41.1 41.1 -19.2 -23.6 417 85 B H H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.818 105.6 56.1 -69.2 -31.6 44.4 -17.4 -22.7 418 86 B F H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.951 110.1 46.5 -59.1 -50.1 42.6 -14.2 -21.8 419 87 B C H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 112.9 48.3 -58.3 -46.3 40.5 -16.2 -19.3 420 88 B F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.905 110.8 52.6 -63.2 -38.3 43.6 -18.0 -18.0 421 89 B Y H X S+ 0 0 32 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.946 110.3 46.3 -63.7 -46.9 45.4 -14.7 -17.6 422 90 B I H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.942 115.1 47.0 -60.4 -47.8 42.6 -13.1 -15.6 423 91 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 113.3 48.5 -59.3 -44.5 42.3 -16.2 -13.4 424 92 B N H < S+ 0 0 26 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.890 114.7 45.1 -63.6 -41.6 46.1 -16.3 -12.9 425 93 B E H < S+ 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.765 128.2 23.6 -73.5 -27.8 46.3 -12.6 -12.0 426 94 B T H >< S+ 0 0 0 -4,-1.8 3,-2.1 -5,-0.2 4,-0.2 0.552 87.4 97.2-118.3 -13.2 43.3 -12.5 -9.7 427 95 B N G >< S+ 0 0 32 -4,-2.3 3,-1.9 1,-0.3 -3,-0.1 0.814 75.9 66.3 -58.7 -33.7 42.5 -15.9 -8.1 428 96 B K G 3 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.659 106.1 45.8 -62.0 -14.4 44.3 -15.4 -4.8 429 97 B Y G < S+ 0 0 23 -3,-2.1 2,-0.5 -81,-0.0 -79,-0.3 0.363 95.2 96.9-104.7 1.5 41.7 -12.7 -4.0 430 98 B A < - 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