==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-11 2YB0 . COMPND 2 MOLECULE: DUTPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR G.R.HEMSWORTH,O.V.MOROZ,M.J.FOGG,B.SCOTT,C.BOSCH-NAVARRETE, . 1040 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 724 69.6 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 . 23 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 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 . 36 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 500 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 9 2 1 0 0 0 1 3 0 0 2 6 8 4 4 0 0 0 0 1 3 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 7 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 . 7 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 7 A A 0 0 102 0, 0.0 2,-0.3 0, 0.0 159,-0.0 0.000 360.0 360.0 360.0 -23.3 -42.0 34.9 -10.5 2 8 A N - 0 0 61 158,-0.0 151,-0.0 214,-0.0 155,-0.0 -0.763 360.0-102.9 -94.9 151.4 -40.3 35.2 -7.1 3 9 A I - 0 0 21 -2,-0.3 5,-0.1 1,-0.1 153,-0.0 -0.585 34.3-120.3 -80.7 119.5 -37.8 32.5 -6.0 4 10 A P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.251 24.0-116.8 -54.7 147.8 -39.2 30.0 -3.5 5 11 A G H 3> S+ 0 0 49 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.873 114.7 54.4 -52.7 -43.7 -37.2 30.0 -0.3 6 12 A A H 3> S+ 0 0 67 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.750 106.7 52.2 -67.8 -23.6 -36.2 26.3 -0.8 7 13 A I H X> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 3,-0.6 0.929 108.2 50.9 -74.5 -45.4 -34.8 27.2 -4.2 8 14 A L H 3X S+ 0 0 25 -4,-2.0 4,-2.6 1,-0.3 3,-0.4 0.953 106.2 55.7 -52.6 -51.1 -32.7 30.1 -2.7 9 15 A H H 3X S+ 0 0 148 -4,-2.5 4,-0.9 1,-0.3 -1,-0.3 0.827 109.4 46.9 -52.8 -33.0 -31.4 27.7 -0.1 10 16 A S H < - 0 0 47 -4,-2.7 3,-1.1 -5,-0.1 -1,-0.3 -0.940 66.7-139.9-140.7 123.0 -10.5 29.2 -1.5 24 30 A P T 3 S+ 0 0 105 0, 0.0 2,-0.2 0, 0.0 3,-0.2 0.778 103.7 33.1 -45.8 -41.5 -11.0 26.1 0.6 25 31 A S T >> S+ 0 0 82 1,-0.2 4,-1.9 -6,-0.1 3,-1.3 -0.416 75.9 156.0-114.2 59.1 -11.8 27.9 3.9 26 32 A W H <> + 0 0 7 -3,-1.1 4,-3.4 1,-0.3 -1,-0.2 0.852 66.0 58.2 -62.7 -36.9 -13.6 30.8 2.3 27 33 A R H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.815 113.3 39.2 -60.3 -34.0 -15.7 31.7 5.3 28 34 A A H <4 S+ 0 0 91 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.741 120.7 45.5 -85.4 -27.1 -12.6 32.2 7.5 29 35 A V H < S+ 0 0 76 -4,-1.9 -2,-0.2 -6,-0.1 -3,-0.2 0.892 105.5 63.5 -83.6 -43.5 -10.5 33.9 4.7 30 36 A R S < S- 0 0 37 -4,-3.4 2,-0.3 -5,-0.2 3,-0.0 -0.333 70.7-146.8 -81.5 163.3 -13.1 36.3 3.4 31 37 A S > - 0 0 45 1,-0.1 4,-1.2 -2,-0.1 3,-0.3 -0.864 28.2-110.3-125.3 161.1 -14.7 39.2 5.3 32 38 A L H > S+ 0 0 18 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 0.917 120.0 56.0 -51.7 -46.5 -18.1 40.8 5.3 33 39 A D H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.827 97.7 62.9 -60.1 -33.9 -16.4 43.9 3.8 34 40 A N H > S+ 0 0 24 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.954 108.4 40.7 -56.6 -48.4 -15.1 41.8 0.9 35 41 A W H X S+ 0 0 3 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.874 113.8 52.7 -69.3 -36.1 -18.6 41.0 -0.3 36 42 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.907 111.7 47.3 -67.0 -39.1 -19.9 44.5 0.4 37 43 A L H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.949 108.4 54.0 -65.3 -50.3 -17.1 45.9 -1.8 38 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.906 109.8 48.1 -49.6 -45.7 -17.7 43.4 -4.5 39 45 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 110.1 52.3 -64.9 -40.3 -21.3 44.4 -4.7 40 46 A T H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.967 111.9 45.8 -57.0 -52.8 -20.3 48.1 -4.8 41 47 A M H X S+ 0 0 9 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.857 115.0 46.1 -61.7 -38.7 -17.9 47.5 -7.7 42 48 A E H X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.836 106.1 61.0 -74.2 -32.9 -20.5 45.4 -9.6 43 49 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 107.0 44.6 -58.0 -39.9 -23.1 48.0 -9.0 44 50 A T H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.855 110.2 55.1 -77.4 -28.5 -21.1 50.6 -10.8 45 51 A E H < S+ 0 0 63 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.868 107.8 50.1 -64.4 -38.1 -20.3 48.2 -13.6 46 52 A L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.950 110.9 48.1 -64.0 -48.3 -24.1 47.7 -13.9 47 53 A L H >< S+ 0 0 2 -4,-2.2 3,-2.2 1,-0.3 5,-0.3 0.867 102.1 64.5 -61.5 -32.7 -24.6 51.5 -14.1 48 54 A D T 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.602 87.7 69.8 -70.6 -7.7 -21.9 51.8 -16.7 49 55 A S T < S+ 0 0 12 -3,-1.7 14,-3.3 -4,-0.3 -1,-0.3 0.513 93.0 74.3 -76.4 -10.2 -24.0 49.7 -19.0 50 56 A Y S < S- 0 0 7 -3,-2.2 2,-2.3 12,-0.2 3,-0.3 -0.776 96.8-108.8-104.5 153.4 -26.3 52.8 -19.2 51 57 A P + 0 0 44 0, 0.0 -3,-0.1 0, 0.0 78,-0.1 -0.410 63.8 142.4 -78.5 66.1 -25.7 56.0 -21.1 52 58 A W + 0 0 17 -2,-2.3 2,-0.5 -5,-0.3 -4,-0.1 0.701 36.8 98.0 -80.8 -19.6 -25.2 58.1 -17.9 53 59 A K > - 0 0 51 -3,-0.3 3,-0.6 1,-0.1 -5,-0.0 -0.572 49.9-169.9 -80.1 120.3 -22.4 60.3 -19.2 54 60 A W T 3 S+ 0 0 29 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.438 84.1 52.7 -83.8 1.3 -23.5 63.7 -20.4 55 61 A W T 3 S+ 0 0 26 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.394 110.4 35.6-116.5 5.0 -20.1 64.5 -22.0 56 62 A K S < S+ 0 0 31 -3,-0.6 394,-0.3 394,-0.2 -1,-0.2 -0.993 110.3 6.5-162.6 139.2 -19.6 61.5 -24.3 57 63 A N > + 0 0 78 392,-1.8 3,-1.4 394,-0.5 394,-0.2 0.913 62.3 178.3 50.6 57.5 -21.4 59.0 -26.5 58 64 A L T 3 S+ 0 0 85 392,-2.6 -1,-0.1 1,-0.3 393,-0.1 0.571 72.5 51.5 -73.6 -13.4 -24.7 60.8 -26.2 59 65 A N T 3 S+ 0 0 58 391,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.138 80.2 129.2-105.4 12.8 -26.7 58.4 -28.5 60 66 A A < - 0 0 44 -3,-1.4 3,-0.0 1,-0.1 586,-0.0 -0.393 50.0-139.4 -69.7 149.5 -25.5 55.2 -26.7 61 67 A T - 0 0 38 -11,-0.1 -2,-0.1 -2,-0.1 -1,-0.1 -0.810 29.2 -88.7-108.7 151.8 -28.3 52.8 -25.7 62 68 A P - 0 0 39 0, 0.0 2,-1.4 0, 0.0 -12,-0.2 -0.342 31.1-136.0 -57.6 135.2 -28.5 50.8 -22.4 63 69 A D > + 0 0 80 -14,-3.3 4,-1.5 1,-0.2 3,-0.3 -0.661 34.8 167.8 -92.4 81.2 -26.7 47.5 -22.6 64 70 A L H > S+ 0 0 40 -2,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.807 70.2 63.8 -74.0 -29.6 -29.4 45.5 -20.9 65 71 A A H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.931 107.3 44.5 -50.0 -45.5 -27.8 42.2 -21.9 66 72 A N H > S+ 0 0 23 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.838 106.0 60.5 -72.9 -31.6 -24.9 43.2 -19.7 67 73 A V H X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.912 101.1 55.1 -60.9 -39.4 -27.2 44.4 -17.0 68 74 A R H X S+ 0 0 28 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.926 109.6 46.3 -58.0 -45.2 -28.6 40.8 -16.8 69 75 A I H X S+ 0 0 2 -4,-1.3 4,-2.4 1,-0.2 3,-0.2 0.926 112.2 49.6 -62.1 -47.0 -25.1 39.5 -16.2 70 76 A E H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.845 106.2 55.6 -65.1 -36.0 -24.2 42.1 -13.6 71 77 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.871 110.4 47.1 -59.6 -36.1 -27.4 41.5 -11.7 72 78 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.863 108.7 53.5 -77.5 -36.1 -26.4 37.9 -11.5 73 79 A D H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.950 110.1 47.8 -61.4 -46.0 -22.8 38.8 -10.4 74 80 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.884 108.3 56.7 -61.9 -34.4 -24.3 40.9 -7.6 75 81 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.958 105.1 50.4 -59.4 -49.2 -26.5 37.9 -6.8 76 82 A H H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 115.3 43.3 -53.9 -47.7 -23.4 35.6 -6.4 77 83 A F H X S+ 0 0 22 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.846 112.9 50.9 -72.2 -34.3 -21.8 38.2 -4.0 78 84 A S H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.852 109.2 50.5 -72.8 -34.4 -25.0 38.9 -2.1 79 85 A L H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.925 112.1 49.9 -63.3 -41.2 -25.6 35.1 -1.5 80 86 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.946 110.6 47.9 -64.1 -50.6 -22.0 34.9 -0.3 81 87 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.900 109.4 53.4 -53.7 -45.9 -22.4 37.9 2.1 82 88 A A H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.901 111.9 45.3 -57.5 -43.3 -25.7 36.4 3.5 83 89 A M H X S+ 0 0 8 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.848 110.1 54.9 -66.6 -37.8 -23.9 33.2 4.3 84 90 A Q H X S+ 0 0 10 -4,-2.4 4,-0.7 2,-0.2 3,-0.5 0.921 106.7 50.6 -61.2 -47.8 -21.0 35.1 5.8 85 91 A M H >< S+ 0 0 35 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.920 108.1 53.0 -54.2 -45.8 -23.4 36.9 8.2 86 92 A R H 3< S+ 0 0 187 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.789 113.8 43.1 -60.5 -28.7 -24.8 33.5 9.2 87 93 A S H 3< S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.450 92.4 99.3 -99.2 -3.1 -21.3 32.2 10.0 88 94 A T S << S- 0 0 18 -3,-1.0 5,-0.1 -4,-0.7 -61,-0.0 -0.743 81.4-114.4 -86.5 126.5 -20.1 35.4 11.8 89 95 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.269 25.3-115.5 -60.6 150.1 -20.3 35.2 15.6 90 96 A D G > S+ 0 0 145 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.862 114.3 56.6 -58.3 -40.7 -22.8 37.6 17.1 91 97 A D G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.559 109.4 47.6 -71.3 -7.3 -20.1 39.6 19.0 92 98 A E G < S+ 0 0 127 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.289 82.6 119.8-107.4 5.8 -18.4 40.2 15.6 93 99 A I S < S- 0 0 34 -3,-1.8 5,-0.1 -4,-0.3 -3,-0.0 -0.605 73.5-114.2 -73.5 120.8 -21.7 41.2 13.8 94 100 A P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.320 18.2-132.8 -59.4 133.5 -21.3 44.8 12.5 95 101 A A G >> S+ 0 0 84 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.742 100.4 67.6 -62.7 -28.8 -23.7 47.1 14.4 96 102 A A G >4 S+ 0 0 21 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.785 90.9 64.6 -61.7 -26.5 -24.9 48.8 11.2 97 103 A S G <4 S+ 0 0 10 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 102.3 48.1 -70.5 -21.0 -26.6 45.5 10.2 98 104 A L G <4 S+ 0 0 143 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.529 90.4 99.6 -97.1 -7.0 -29.0 45.7 13.1 99 105 A K S << S- 0 0 20 -3,-0.7 5,-0.1 -4,-0.5 -3,-0.0 -0.477 86.5 -92.5 -78.9 149.9 -30.1 49.3 12.7 100 106 A P >> - 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.304 37.1-116.4 -53.5 144.1 -33.4 50.2 11.0 101 107 A L H >> S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.835 112.1 63.8 -56.3 -37.8 -33.0 50.8 7.3 102 108 A K H 34 S+ 0 0 94 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.801 102.1 52.3 -56.2 -31.0 -34.1 54.5 7.6 103 109 A E H <4 S+ 0 0 130 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.677 109.9 45.7 -80.5 -19.0 -31.0 55.1 9.8 104 110 A V H << S+ 0 0 37 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.315 112.4 33.0-115.2 7.4 -28.4 53.7 7.5 105 111 A M < - 0 0 17 -4,-0.6 2,-0.5 -3,-0.3 264,-0.1 -0.996 58.0-135.0-152.8 165.1 -29.3 55.1 4.1 106 112 A T - 0 0 34 -2,-0.3 2,-0.7 262,-0.1 35,-0.1 -0.997 36.5-131.9-117.3 121.8 -30.7 58.0 2.2 107 113 A T - 0 0 62 -2,-0.5 2,-0.3 -5,-0.1 28,-0.1 -0.686 15.6-146.0 -81.8 115.1 -33.1 56.6 -0.3 108 114 A F - 0 0 13 -2,-0.7 30,-0.1 26,-0.3 29,-0.0 -0.671 17.0-166.4 -79.2 135.7 -32.4 58.1 -3.7 109 115 A L - 0 0 118 -2,-0.3 22,-0.0 29,-0.0 12,-0.0 -0.974 21.3-115.4-124.4 137.7 -35.5 58.6 -5.7 110 116 A P - 0 0 22 0, 0.0 4,-0.1 0, 0.0 21,-0.1 -0.302 23.0-124.4 -66.1 159.1 -35.8 59.4 -9.4 111 117 A A S S+ 0 0 112 2,-0.1 2,-0.2 0, 0.0 3,-0.1 0.902 90.7 66.7 -70.5 -44.2 -37.3 62.8 -10.5 112 118 A K S S- 0 0 75 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.519 98.6 -92.4 -85.0 149.2 -40.0 61.3 -12.7 113 119 A E + 0 0 109 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.205 60.0 143.9 -59.8 143.2 -42.9 59.2 -11.4 114 120 A C - 0 0 54 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.0 -0.954 45.6 -97.7-164.1 176.0 -42.4 55.5 -11.3 115 121 A T E -A 124 0A 95 9,-1.3 9,-2.9 -2,-0.3 2,-0.3 -0.714 36.2-168.1-102.6 163.2 -43.1 52.2 -9.5 116 122 A S E -A 123 0A 53 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.884 29.0 -86.0-138.8 171.2 -40.7 50.5 -7.1 117 123 A D > - 0 0 6 5,-1.7 3,-1.0 -2,-0.3 -1,-0.1 -0.191 61.0 -86.5 -65.1 172.4 -40.1 47.3 -5.3 118 124 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 36,-0.0 0.684 128.8 50.0 -62.9 -21.6 -41.8 46.9 -1.9 119 125 A Y T 3 S- 0 0 100 31,-0.1 31,-0.0 3,-0.1 35,-0.0 0.709 107.9-123.0 -87.0 -21.2 -38.9 48.6 0.1 120 126 A G S < S+ 0 0 18 -3,-1.0 3,-0.1 2,-0.2 0, 0.0 0.769 82.1 109.9 84.4 29.7 -38.9 51.6 -2.3 121 127 A F + 0 0 13 1,-0.2 2,-0.4 -14,-0.1 17,-0.3 0.610 68.5 50.3-108.1 -19.7 -35.2 51.1 -3.2 122 128 A V S S- 0 0 2 16,-0.1 -5,-1.7 -5,-0.1 2,-0.4 -0.971 72.7-149.5-129.4 140.3 -35.4 50.0 -6.8 123 129 A F E -A 116 0A 8 8,-0.5 -7,-0.2 -2,-0.4 12,-0.1 -0.887 17.9-100.8-126.1 140.9 -37.4 51.7 -9.5 124 130 A F E S+A 115 0A 23 -9,-2.9 -9,-1.3 -2,-0.4 2,-0.1 -0.882 90.1 38.0-120.7 145.7 -39.1 50.5 -12.7 125 131 A P > - 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0 0 34 -3,-1.6 -45,-0.1 -45,-0.0 -42,-0.1 -0.746 50.6-138.7 -93.8 124.4 -35.4 28.2 -20.7 211 217 A S > - 0 0 51 -2,-0.5 4,-1.2 1,-0.1 763,-0.1 -0.350 14.0-127.9 -81.7 156.3 -38.7 28.6 -18.9 212 218 A L H > S+ 0 0 56 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.914 109.1 56.7 -62.8 -43.9 -39.3 30.1 -15.4 213 219 A D H >> S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.929 102.3 55.2 -57.7 -52.3 -41.3 27.0 -14.4 214 220 A E H >4 S+ 0 0 73 1,-0.2 3,-0.6 2,-0.2 10,-0.3 0.918 112.1 40.8 -37.8 -58.9 -38.4 24.6 -15.1 215 221 A V H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.644 119.9 41.7 -81.3 -12.8 -35.9 26.3 -12.9 216 222 A L H << S+ 0 0 31 -4,-1.1 2,-0.7 -3,-0.7 -1,-0.2 0.411 78.6 118.1-111.1 -4.6 -38.1 27.1 -9.9 217 223 A D XX - 0 0 78 -4,-1.1 4,-2.0 -3,-0.6 3,-1.4 -0.564 63.1-141.3 -76.0 110.8 -40.1 23.8 -9.7 218 224 A A T 34 S+ 0 0 77 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.400 102.4 31.0 -59.8 4.9 -39.2 22.4 -6.3 219 225 A D T 34 S+ 0 0 95 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.403 123.5 42.7-131.3 -10.0 -39.2 19.0 -8.0 220 226 A K T <> S+ 0 0 44 -3,-1.4 4,-1.2 -7,-0.2 -2,-0.2 0.497 88.3 90.1-108.9 -3.7 -38.0 19.7 -11.6 221 227 A Y H X S+ 0 0 39 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.806 75.1 61.1 -73.7 -33.9 -35.2 22.1 -11.0 222 228 A V H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 24,-0.2 0.942 108.5 43.8 -58.8 -49.7 -32.2 19.8 -10.6 223 229 A Q H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.836 113.6 52.6 -63.8 -36.2 -32.5 18.4 -14.1 224 230 A A H X S+ 0 0 7 -4,-1.2 4,-1.7 -10,-0.3 -1,-0.2 0.912 109.7 47.4 -67.0 -43.5 -33.2 22.0 -15.5 225 231 A W H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.931 108.8 56.2 -63.8 -42.4 -30.0 23.4 -13.9 226 232 A N H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.826 105.2 50.6 -60.4 -37.9 -28.0 20.4 -15.2 227 233 A S H X S+ 0 0 54 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.893 110.3 49.9 -70.9 -36.8 -29.0 21.1 -18.8 228 234 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.977 111.6 49.0 -61.3 -51.5 -28.0 24.8 -18.4 229 235 A M H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.923 112.1 48.2 -50.8 -50.2 -24.6 23.7 -16.9 230 236 A A H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.869 109.8 52.9 -60.8 -38.9 -24.1 21.2 -19.8 231 237 A N H X S+ 0 0 47 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 112.4 44.0 -64.5 -40.5 -25.0 23.9 -22.4 232 238 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.955 113.5 50.2 -70.0 -47.9 -22.4 26.3 -20.9 233 239 A Y H <>S+ 0 0 4 -4,-3.0 5,-2.6 -5,-0.2 3,-0.3 0.909 113.6 46.9 -53.1 -43.2 -19.8 23.6 -20.6 234 240 A E H ><5S+ 0 0 54 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.878 106.2 56.9 -69.5 -36.2 -20.4 22.7 -24.2 235 241 A A H 3<5S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 113.3 41.2 -69.6 -23.0 -20.4 26.3 -25.5 236 242 A F T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.125 113.4-119.7-105.4 16.2 -16.8 26.7 -24.0 237 243 A Q T < 5 + 0 0 88 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.839 48.1 173.6 48.4 45.9 -15.7 23.2 -25.2 238 244 A I < - 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0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.9 -0.414 33.9-122.8 -64.1 142.2 -24.6 65.6 10.6 365 107 B L H >> S+ 0 0 37 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.856 108.3 64.0 -54.7 -42.9 -22.1 63.3 8.9 366 108 B K H 34 S+ 0 0 91 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.786 102.5 51.2 -50.2 -33.1 -22.3 60.6 11.6 367 109 B E H <4 S+ 0 0 124 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.802 115.5 39.1 -77.3 -30.8 -26.0 60.1 10.7 368 110 B V H << S+ 0 0 29 -3,-0.9 2,-0.3 -4,-0.9 -2,-0.2 0.245 118.6 32.6-109.3 12.8 -25.5 59.7 7.0 369 111 B M < - 0 0 14 -4,-0.7 2,-0.5 -3,-0.3 -1,-0.1 -0.981 54.4-145.4-163.3 151.1 -22.3 57.6 6.9 370 112 B T - 0 0 63 -2,-0.3 2,-0.6 -266,-0.1 35,-0.1 -0.992 32.7-127.5-118.7 132.9 -20.2 55.0 8.6 371 113 B T - 0 0 60 -2,-0.5 2,-0.3 -5,-0.0 28,-0.1 -0.675 16.8-141.7 -86.3 120.4 -16.5 55.4 8.3 372 114 B F - 0 0 14 -2,-0.6 30,-0.1 26,-0.3 29,-0.0 -0.637 17.9-166.3 -82.9 136.6 -14.6 52.4 7.0 373 115 B L - 0 0 121 -2,-0.3 2,-0.1 29,-0.0 12,-0.0 -0.938 20.4-118.5-119.4 142.8 -11.2 51.8 8.6 374 116 B P - 0 0 23 0, 0.0 4,-0.1 0, 0.0 21,-0.1 -0.400 21.8-125.5 -71.9 162.0 -8.5 49.5 7.4 375 117 B A S S+ 0 0 114 2,-0.1 2,-0.2 -2,-0.1 3,-0.1 0.919 88.5 70.4 -71.9 -44.7 -7.4 46.6 9.7 376 118 B K S S- 0 0 72 1,-0.1 0, 0.0 -3,-0.0 0, 0.0 -0.488 98.6 -92.3 -83.4 145.1 -3.7 47.5 9.8 377 119 B E + 0 0 107 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.145 60.9 151.4 -50.6 141.0 -2.4 50.5 11.7 378 120 B C - 0 0 55 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.0 -0.987 44.0-104.0-161.5 169.4 -2.1 53.6 9.5 379 121 B T E -C 388 0C 95 9,-1.4 9,-3.1 -2,-0.3 2,-0.3 -0.671 36.7-166.7 -94.6 160.1 -2.1 57.4 9.3 380 122 B S E -C 387 0C 55 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.830 27.3 -87.9-136.2 174.3 -5.1 59.2 7.9 381 123 B D > - 0 0 4 5,-1.8 3,-0.5 -2,-0.3 -1,-0.1 -0.196 58.0 -89.3 -74.6 176.0 -6.0 62.7 6.6 382 124 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 126.4 49.8 -67.2 -27.1 -7.3 65.1 9.2 383 125 B Y T 3 S- 0 0 107 31,-0.1 31,-0.0 3,-0.0 35,-0.0 0.770 109.1-120.5 -78.2 -27.9 -11.0 64.1 8.9 384 126 B G S < S+ 0 0 17 -3,-0.5 3,-0.1 2,-0.2 -1,-0.0 0.668 84.0 107.3 94.9 21.4 -10.2 60.4 9.3 385 127 B F + 0 0 19 1,-0.1 2,-0.3 -14,-0.0 17,-0.3 0.710 68.4 50.4-104.9 -24.7 -11.7 59.4 5.9 386 128 B V S S- 0 0 2 16,-0.1 -5,-1.8 14,-0.1 2,-0.4 -0.935 71.9-146.4-126.3 145.0 -8.6 58.6 3.8 387 129 B F E -C 380 0C 7 8,-0.4 -7,-0.2 -2,-0.3 12,-0.1 -0.885 16.4-105.4-129.0 137.2 -5.7 56.4 4.7 388 130 B F E S+C 379 0C 15 -9,-3.1 -9,-1.4 -2,-0.4 2,-0.1 -0.898 88.2 39.9-122.1 145.3 -2.0 56.3 4.1 389 131 B P > - 0 0 66 0, 0.0 3,-1.2 0, 0.0 6,-0.2 0.367 62.2-168.0 -79.6 146.4 -0.0 54.9 2.5 390 132 B L T 3 S+ 0 0 1 1,-0.3 -2,-0.1 32,-0.2 6,-0.1 0.400 79.3 80.6 -81.9 1.3 -2.2 54.7 -0.6 391 133 B T T 3 S+ 0 0 83 34,-0.1 2,-0.5 4,-0.0 -1,-0.3 0.569 80.2 85.6 -72.3 -13.2 0.2 52.2 -2.2 392 134 B D S <> S- 0 0 68 -3,-1.2 4,-2.2 1,-0.1 5,-0.2 -0.832 75.5-147.0 -94.7 126.7 -1.6 49.7 0.1 393 135 B T H > S+ 0 0 29 -2,-0.5 4,-2.7 1,-0.2 -1,-0.1 0.863 97.4 52.7 -63.9 -39.2 -4.8 48.3 -1.5 394 136 B Q H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 109.1 50.6 -63.5 -42.3 -6.7 48.0 1.9 395 137 B N H > S+ 0 0 7 -6,-0.2 4,-2.1 2,-0.2 -8,-0.4 0.931 111.9 48.0 -56.0 -47.3 -6.0 51.7 2.6 396 138 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.921 109.3 53.5 -62.4 -43.2 -7.3 52.6 -0.8 397 139 B I H X S+ 0 0 16 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.943 111.6 42.9 -60.0 -50.1 -10.4 50.5 -0.4 398 140 B A H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 -26,-0.3 0.895 113.3 54.4 -63.2 -39.2 -11.5 52.0 2.9 399 141 B S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.956 112.8 40.6 -59.6 -51.9 -10.6 55.5 1.6 400 142 B F H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.789 108.6 58.1 -79.4 -21.3 -12.8 55.3 -1.4 401 143 B R H X S+ 0 0 7 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.891 110.3 48.1 -65.5 -37.3 -15.6 53.5 0.2 402 144 B N H X S+ 0 0 0 -4,-1.9 4,-2.0 -17,-0.3 -2,-0.2 0.923 107.5 54.0 -65.9 -40.3 -15.6 56.6 2.5 403 145 B I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.896 104.8 54.8 -62.7 -40.8 -15.5 59.0 -0.5 404 146 B I H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.936 109.2 47.4 -57.8 -47.0 -18.6 57.4 -2.1 405 147 B Q H X S+ 0 0 12 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.836 110.2 52.4 -64.3 -34.4 -20.5 58.0 1.2 406 148 B L H ><>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-0.6 0.931 108.4 51.1 -65.4 -44.3 -19.3 61.6 1.3 407 149 B A H ><5S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.936 106.2 55.4 -56.8 -46.3 -20.5 62.1 -2.3 408 150 B N H 3<5S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 109.7 45.7 -59.9 -29.2 -23.9 60.7 -1.3 409 151 B A T <<5S- 0 0 1 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.193 117.3-116.4 -98.8 17.1 -24.2 63.3 1.5 410 152 B Y T < 5 + 0 0 20 -3,-2.2 2,-1.7 1,-0.2 3,-0.3 0.753 61.0 151.8 63.9 28.9 -23.1 66.0 -1.0 411 153 B R >< + 0 0 50 -5,-2.5 4,-2.1 1,-0.2 -1,-0.2 -0.390 6.5 153.3 -91.3 63.8 -19.8 66.9 0.9 412 154 B F H > + 0 0 3 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.839 69.1 52.1 -64.0 -34.6 -18.0 68.0 -2.2 413 155 B D H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 107.5 50.9 -72.3 -39.3 -15.7 70.3 -0.3 414 156 B V H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 110.0 52.8 -58.6 -40.9 -14.6 67.6 2.2 415 157 B I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.929 105.1 52.8 -61.9 -47.6 -13.9 65.5 -0.9 416 158 B I H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.949 110.4 49.7 -52.0 -46.9 -11.6 68.2 -2.5 417 159 B E H X S+ 0 0 74 -4,-2.1 4,-1.8 1,-0.2 3,-0.3 0.953 110.6 48.8 -58.6 -50.5 -9.7 68.3 0.8 418 160 B C H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 108.0 53.7 -55.4 -45.2 -9.2 64.5 1.0 419 161 B I H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.872 106.0 55.0 -60.6 -35.2 -8.1 64.4 -2.7 420 162 B I H X S+ 0 0 20 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.925 109.5 45.0 -64.8 -43.3 -5.4 67.0 -1.8 421 163 B Y H X S+ 0 0 70 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.854 112.0 54.3 -68.5 -31.0 -4.1 64.8 1.1 422 164 B A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 106.8 49.3 -66.9 -47.4 -4.2 61.8 -1.2 423 165 B A H X>S+ 0 0 3 -4,-2.6 5,-2.1 1,-0.2 4,-0.6 0.874 110.3 53.0 -57.5 -40.1 -2.1 63.5 -4.0 424 166 B E H ><5S+ 0 0 105 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.897 108.7 48.0 -61.8 -45.2 0.4 64.5 -1.3 425 167 B D H 3<5S+ 0 0 57 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 112.4 48.8 -63.9 -41.6 0.8 60.9 -0.0 426 168 B L H 3<5S- 0 0 25 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.553 112.6-124.8 -78.5 -9.0 1.2 59.5 -3.5 427 169 B G T <<5 + 0 0 59 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.888 63.5 122.9 72.1 42.6 3.8 62.3 -4.2 428 170 B F < - 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0 0 24 -3,-1.1 2,-0.2 -45,-0.0 -45,-0.1 -0.857 56.9-150.2-111.2 141.7 6.7 71.7 -13.0 475 217 B S > - 0 0 52 -2,-0.4 4,-1.5 1,-0.1 5,-0.2 -0.678 28.7-111.8-107.1 160.8 7.3 72.2 -9.3 476 218 B L H > S+ 0 0 64 -2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.921 120.8 40.3 -54.8 -48.5 4.9 72.3 -6.3 477 219 B D H >> S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 3,-1.0 0.907 106.0 63.1 -66.9 -46.1 5.7 76.0 -5.8 478 220 B E H 34 S+ 0 0 72 1,-0.3 10,-0.3 2,-0.2 -1,-0.2 0.832 109.3 43.4 -45.9 -35.7 5.7 76.9 -9.6 479 221 B V H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.633 121.6 35.1 -93.4 -21.5 2.1 76.0 -9.8 480 222 B L H << S+ 0 0 27 -3,-1.0 2,-0.4 -4,-0.7 -2,-0.2 0.546 88.8 109.0-103.9 -14.6 0.8 77.6 -6.5 481 223 B D >X - 0 0 78 -4,-2.5 4,-2.2 1,-0.1 3,-1.4 -0.552 66.9-138.6 -79.2 123.3 3.0 80.8 -6.5 482 224 B A T 34 S+ 0 0 87 -2,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.700 100.4 47.7 -49.9 -27.7 1.0 84.0 -7.3 483 225 B D T 34 S+ 0 0 156 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.740 123.1 25.7 -85.5 -32.1 3.9 85.3 -9.5 484 226 B K T <> S+ 0 0 34 -3,-1.4 4,-2.4 -7,-0.2 -2,-0.2 0.538 94.3 89.6-113.9 -11.5 4.6 82.2 -11.6 485 227 B Y H X S+ 0 0 32 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.830 83.3 54.6 -70.9 -35.8 1.5 80.2 -11.8 486 228 B V H > S+ 0 0 37 -4,-0.2 4,-2.4 2,-0.2 24,-0.3 0.937 115.9 40.0 -63.3 -43.8 -0.2 81.7 -14.8 487 229 B Q H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.874 115.3 53.2 -68.8 -38.1 2.9 81.0 -16.9 488 230 B A H X S+ 0 0 5 -4,-2.4 4,-1.5 -10,-0.3 -2,-0.2 0.956 111.9 44.4 -61.3 -48.7 3.4 77.7 -15.2 489 231 B W H X S+ 0 0 0 -4,-3.7 4,-2.6 1,-0.2 3,-0.2 0.920 111.2 54.7 -61.1 -45.4 -0.2 76.7 -16.1 490 232 B N H X S+ 0 0 39 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.836 104.9 52.1 -60.8 -35.3 0.1 78.0 -19.6 491 233 B S H X S+ 0 0 59 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.860 109.4 50.8 -72.0 -32.5 3.2 75.9 -20.3 492 234 B I H X S+ 0 0 1 -4,-1.5 4,-2.3 -3,-0.2 5,-0.2 0.973 110.7 47.4 -66.3 -52.8 1.4 72.8 -19.2 493 235 B M H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.946 111.8 52.5 -50.3 -49.3 -1.6 73.5 -21.4 494 236 B A H X S+ 0 0 38 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.910 107.7 50.6 -56.4 -46.2 0.9 74.2 -24.3 495 237 B N H X S+ 0 0 73 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.896 113.8 44.9 -57.7 -43.5 2.6 70.8 -23.7 496 238 B V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.962 114.0 48.6 -66.9 -51.0 -0.8 68.9 -23.8 497 239 B Y H <>S+ 0 0 7 -4,-3.1 5,-2.2 1,-0.2 3,-0.3 0.940 114.0 46.3 -52.4 -51.5 -2.0 70.9 -26.9 498 240 B E H ><5S+ 0 0 121 -4,-3.0 3,-1.5 -5,-0.2 -1,-0.2 0.887 107.3 58.4 -62.5 -37.4 1.2 70.2 -28.8 499 241 B A H 3<5S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.905 113.0 39.1 -57.6 -41.2 1.2 66.5 -27.7 500 242 B F T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.206 113.1-120.0 -95.4 14.0 -2.3 66.1 -29.4 501 243 B Q T < 5 + 0 0 159 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.799 47.6 173.4 54.4 38.7 -1.3 68.4 -32.4 502 244 B I < - 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0 0 50 -4,-2.5 3,-1.4 1,-0.1 -1,-0.3 -0.923 59.8-147.2-140.9 124.1 -51.9 48.8 -27.9 809 30 E P T 3 S+ 0 0 113 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.905 104.4 42.7 -50.7 -43.0 -55.1 50.8 -27.3 810 31 E S T >> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.1 3,-1.0 -0.201 75.5 142.7 -99.2 48.1 -53.6 53.8 -29.0 811 32 E W H <> + 0 0 7 -3,-1.4 4,-3.0 -2,-0.4 -1,-0.2 0.820 65.5 55.6 -63.5 -38.8 -52.0 51.9 -31.9 812 33 E R H 34 S+ 0 0 83 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.833 114.5 42.7 -60.4 -31.3 -52.7 54.4 -34.7 813 34 E A H <4 S+ 0 0 87 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.853 121.5 37.6 -84.8 -35.8 -50.8 57.0 -32.6 814 35 E V H < S+ 0 0 70 -4,-2.1 -2,-0.2 -6,-0.1 -3,-0.2 0.843 104.0 72.3 -90.4 -33.1 -47.9 54.7 -31.5 815 36 E R S < S- 0 0 37 -4,-3.0 2,-0.3 -5,-0.2 3,-0.0 -0.459 70.1-145.9 -77.2 153.2 -47.2 52.6 -34.6 816 37 E S > - 0 0 45 -2,-0.1 4,-1.2 1,-0.1 5,-0.1 -0.766 25.7-115.2-109.9 163.1 -45.6 54.1 -37.7 817 38 E L H > S+ 0 0 14 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.889 118.9 58.9 -61.6 -37.8 -46.2 53.2 -41.3 818 39 E D H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 96.3 61.3 -58.7 -40.3 -42.6 52.0 -41.4 819 40 E N H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 108.5 43.4 -46.9 -49.6 -43.5 49.4 -38.6 820 41 E W H X S+ 0 0 4 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.908 112.4 51.5 -69.5 -40.6 -46.0 47.9 -41.0 821 42 E A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.891 112.1 48.1 -62.2 -40.4 -43.7 48.0 -44.1 822 43 E L H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.924 108.8 51.9 -64.5 -47.9 -41.0 46.2 -42.0 823 44 E A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.913 110.2 49.8 -57.0 -40.3 -43.4 43.6 -40.7 824 45 E I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.861 110.4 51.0 -67.4 -35.5 -44.4 42.9 -44.3 825 46 E T H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.954 111.5 47.4 -64.3 -45.5 -40.7 42.7 -45.3 826 47 E M H X S+ 0 0 13 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.894 114.7 44.5 -66.1 -42.6 -40.0 40.2 -42.5 827 48 E E H X S+ 0 0 18 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.835 108.1 59.8 -72.5 -33.6 -43.0 38.0 -43.3 828 49 E S H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.933 109.0 42.0 -57.8 -45.3 -42.2 38.1 -47.0 829 50 E T H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.822 112.2 55.2 -74.5 -26.6 -38.8 36.6 -46.5 830 51 E E H < S+ 0 0 78 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.891 108.5 49.1 -69.2 -37.1 -40.3 34.1 -44.0 831 52 E L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.933 110.1 50.9 -64.3 -44.4 -42.7 33.1 -46.7 832 53 E L H >< S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.3 5,-0.3 0.799 98.7 66.1 -65.3 -26.6 -39.8 32.8 -49.2 833 54 E D T 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.517 86.1 71.7 -72.6 -5.3 -37.9 30.6 -46.7 834 55 E S T < S+ 0 0 11 -3,-1.7 14,-2.0 -4,-0.2 -1,-0.3 0.629 91.6 72.8 -78.5 -17.2 -40.7 27.9 -47.2 835 56 E Y S < S- 0 0 8 -3,-1.4 2,-2.2 -4,-0.3 3,-0.3 -0.666 97.2-108.7 -95.4 153.9 -39.3 27.3 -50.6 836 57 E P + 0 0 43 0, 0.0 8,-0.1 0, 0.0 -3,-0.1 -0.487 62.4 144.9 -77.7 73.5 -36.0 25.4 -51.5 837 58 E W + 0 0 18 -2,-2.2 2,-0.1 -5,-0.3 -277,-0.1 0.772 39.0 96.4 -83.6 -24.7 -34.3 28.6 -52.5 838 59 E K - 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0 0 26 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.706 33.2-119.9 -88.8 122.7 -60.6 29.0 -24.4 1024 245 E K > - 0 0 58 -2,-0.5 3,-1.0 1,-0.1 4,-0.3 -0.139 24.6-114.6 -55.1 154.7 -63.4 29.8 -21.8 1025 246 E E G > S+ 0 0 142 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.809 110.0 62.7 -66.3 -34.4 -66.5 31.6 -23.2 1026 247 E S G 3 S+ 0 0 111 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.685 102.6 51.7 -68.5 -19.6 -66.0 34.9 -21.3 1027 248 E D G < S+ 0 0 74 -3,-1.0 -1,-0.3 2,-0.0 2,-0.2 0.476 95.1 95.5 -90.9 -6.4 -62.7 35.5 -23.1 1028 249 E R < - 0 0 62 -3,-1.4 2,-0.3 -4,-0.3 -13,-0.0 -0.587 53.4-166.2 -88.9 148.3 -64.3 35.0 -26.5 1029 250 E K - 0 0 73 -2,-0.2 2,-0.2 -15,-0.0 -2,-0.0 -0.961 9.2-145.5-127.8 147.4 -65.7 37.7 -28.9 1030 251 E D > - 0 0 71 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.613 35.7 -96.1-104.5 170.5 -67.9 37.2 -31.9 1031 252 E A H > S+ 0 0 0 -24,-0.3 4,-3.0 1,-0.2 3,-0.3 0.944 124.5 51.2 -51.0 -53.2 -67.9 39.3 -35.1 1032 253 E E H > S+ 0 0 91 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.872 106.2 54.8 -56.2 -40.4 -70.7 41.6 -34.0 1033 254 E R H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.943 111.6 45.8 -54.2 -45.9 -68.8 42.2 -30.7 1034 255 E W H X S+ 0 0 10 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.917 112.1 50.1 -67.0 -42.4 -65.8 43.3 -32.9 1035 256 E F H X S+ 0 0 34 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.908 112.4 48.2 -61.9 -38.2 -68.1 45.4 -35.2 1036 257 E A H X S+ 0 0 41 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.893 108.4 52.5 -71.9 -40.1 -69.6 47.1 -32.1 1037 258 E L H X S+ 0 0 36 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.953 111.2 48.6 -58.0 -45.3 -66.2 47.8 -30.5 1038 259 E A H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.853 111.3 48.7 -63.7 -38.2 -65.1 49.5 -33.7 1039 260 E K H < S+ 0 0 159 -4,-1.8 -1,-0.2 2,-0.2 3,-0.2 0.894 105.6 59.0 -67.7 -41.0 -68.2 51.6 -33.9 1040 261 E E H < S+ 0 0 137 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 103.7 51.6 -54.0 -43.3 -67.8 52.6 -30.3 1041 262 E N H < S+ 0 0 122 -4,-1.7 2,-1.3 -5,-0.1 -1,-0.2 0.853 93.0 77.8 -64.7 -35.4 -64.4 54.1 -31.1 1042 263 E R < 0 0 74 -4,-1.2 -1,-0.1 -3,-0.2 -4,-0.0 -0.655 360.0 360.0 -75.8 95.8 -66.0 56.1 -34.0 1043 264 E L 0 0 136 -2,-1.3 -3,-0.1 0, 0.0 -4,-0.0 -0.891 360.0 360.0 97.0 360.0 -67.5 58.8 -31.8