==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-06 2J6Y . COMPND 2 MOLECULE: PHOSPHOSERINE PHOSPHATASE RSBU; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.W.HARDWICK,J.PANE-FARRE,O.DELUMEAU,J.MARLES-WRIGHT, . 416 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 83.7 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 0 0 0 0 0 0 0 7 6 0 0 3 0 4 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 . 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 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 1 A M 0 0 126 0, 0.0 2,-0.0 0, 0.0 222,-0.0 0.000 360.0 360.0 360.0 110.3 -1.6 25.9 26.5 2 2 A D >> - 0 0 30 1,-0.1 4,-0.7 223,-0.0 3,-0.6 -0.181 360.0 -91.7 -85.2 177.5 -1.9 28.9 24.3 3 3 A F H 3> S+ 0 0 6 221,-2.4 4,-1.9 1,-0.2 3,-0.3 0.760 118.3 72.3 -63.7 -25.2 0.2 30.0 21.3 4 4 A R H 3> S+ 0 0 114 220,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.951 92.2 58.2 -48.2 -52.6 2.5 32.0 23.6 5 5 A E H <> S+ 0 0 86 -3,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.845 104.4 49.3 -45.1 -47.3 3.9 28.7 24.9 6 6 A V H X S+ 0 0 28 -4,-0.7 4,-1.7 -3,-0.3 -1,-0.3 0.924 113.5 46.4 -61.1 -45.6 5.0 27.7 21.5 7 7 A I H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.892 110.7 53.8 -67.1 -39.6 6.7 31.1 21.0 8 8 A E H X S+ 0 0 45 -4,-3.3 4,-3.0 2,-0.2 -1,-0.2 0.909 106.1 51.7 -61.6 -41.5 8.3 30.9 24.4 9 9 A Q H X S+ 0 0 149 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.930 112.6 45.8 -64.3 -42.0 9.8 27.5 23.6 10 10 A R H X S+ 0 0 96 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.918 114.3 48.2 -64.2 -45.8 11.4 28.9 20.4 11 11 A Y H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.901 106.3 56.6 -62.1 -44.1 12.6 32.0 22.3 12 12 A H H X S+ 0 0 43 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.936 111.2 46.3 -53.9 -49.0 14.1 29.8 25.1 13 13 A Q H X S+ 0 0 105 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.989 115.1 43.7 -49.8 -67.5 16.1 28.1 22.3 14 14 A L H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.866 115.7 48.0 -55.2 -44.4 17.2 31.3 20.5 15 15 A L H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.904 111.2 48.3 -65.4 -45.2 18.1 33.1 23.7 16 16 A S H X S+ 0 0 38 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.917 111.9 51.2 -64.6 -41.0 20.2 30.3 25.3 17 17 A R H X S+ 0 0 129 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.904 111.3 47.5 -56.1 -48.4 22.1 29.9 22.0 18 18 A Y H X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.945 111.2 49.6 -60.3 -49.1 22.9 33.6 21.8 19 19 A I H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.1 43.5 -58.8 -40.1 24.1 33.8 25.5 20 20 A A H < S+ 0 0 84 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.877 126.9 27.3 -69.1 -38.3 26.3 30.8 24.9 21 21 A E H < S- 0 0 90 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.872 74.7-165.5 -98.3 -43.8 27.7 31.7 21.5 22 22 A L < + 0 0 71 -4,-2.7 2,-0.2 -5,-0.3 -4,-0.1 0.810 37.7 141.6 58.8 35.7 27.6 35.5 21.5 23 23 A T > - 0 0 67 1,-0.1 4,-2.0 -5,-0.1 -1,-0.2 -0.662 64.4-120.3-101.6 161.2 28.2 35.8 17.7 24 24 A K H > S+ 0 0 170 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.834 115.6 58.1 -66.7 -36.1 26.6 38.2 15.3 25 25 A T H > S+ 0 0 107 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.935 108.8 44.7 -57.6 -45.8 25.1 35.3 13.4 26 26 A S H >4 S+ 0 0 6 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.902 111.7 52.5 -66.3 -37.5 23.3 34.1 16.6 27 27 A L H >< S+ 0 0 21 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.870 100.9 63.1 -63.8 -34.8 22.2 37.7 17.3 28 28 A Y H >X S+ 0 0 109 -4,-2.2 4,-1.3 1,-0.3 3,-1.3 0.789 87.5 70.4 -62.4 -31.0 20.8 37.8 13.8 29 29 A Q H S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.3 0.860 100.3 50.4 -64.8 -39.2 16.6 37.7 16.9 31 31 A Q H <> S+ 0 0 58 -3,-1.3 4,-2.0 -4,-0.5 -2,-0.2 0.875 109.6 48.6 -67.3 -44.0 15.7 39.5 13.8 32 32 A K H X S+ 0 0 92 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.887 112.7 50.4 -61.2 -40.2 14.2 36.4 12.1 33 33 A F H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.948 109.1 50.1 -57.5 -52.7 12.2 35.7 15.3 34 34 A S H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.900 105.6 56.4 -61.5 -38.1 10.8 39.2 15.5 35 35 A R H X S+ 0 0 121 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.931 111.9 44.8 -57.4 -43.8 9.7 39.0 11.8 36 36 A K H X S+ 0 0 58 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.931 113.1 47.6 -62.3 -51.7 7.7 35.9 12.9 37 37 A T H <>S+ 0 0 0 -4,-2.9 5,-2.9 2,-0.2 -2,-0.2 0.856 109.3 53.9 -65.7 -36.1 6.2 37.3 16.1 38 38 A I H ><5S+ 0 0 35 -4,-2.7 3,-1.8 3,-0.2 -1,-0.2 0.928 109.1 49.2 -58.1 -48.9 5.1 40.5 14.3 39 39 A E H 3<5S+ 0 0 130 -4,-1.8 278,-0.4 1,-0.3 279,-0.3 0.882 108.9 52.7 -58.9 -37.5 3.3 38.4 11.7 40 40 A H T 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.449 113.7-125.5 -71.6 -1.0 1.7 36.4 14.6 41 41 A Q T < 5 + 0 0 116 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.807 50.4 164.1 54.9 33.5 0.6 39.8 15.9 42 42 A I < - 0 0 19 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.1 -0.712 36.4-126.2 -81.3 124.4 2.3 39.1 19.3 43 43 A P >> - 0 0 42 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.384 15.3-114.1 -79.3 152.1 2.6 42.4 21.1 44 44 A P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.817 112.8 59.8 -59.2 -30.7 6.0 43.6 22.4 45 45 A E H 3> S+ 0 0 21 32,-0.5 4,-2.3 1,-0.2 33,-0.1 0.859 103.4 52.9 -60.7 -36.5 4.9 43.5 26.1 46 46 A E H <> S+ 0 0 52 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.825 105.7 54.0 -71.5 -29.8 4.3 39.7 25.7 47 47 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.934 109.0 48.1 -65.7 -45.6 7.8 39.4 24.2 48 48 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.918 110.8 51.5 -56.9 -45.6 9.2 41.0 27.3 49 49 A S H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.906 109.5 49.4 -56.8 -45.7 7.1 38.7 29.5 50 50 A I H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.888 110.3 51.8 -54.1 -45.3 8.5 35.7 27.5 51 51 A H H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.929 110.2 48.4 -64.1 -43.7 12.0 37.1 28.1 52 52 A R H X S+ 0 0 47 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.938 112.4 48.6 -57.9 -48.3 11.2 37.3 31.9 53 53 A K H X S+ 0 0 92 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.937 115.2 44.3 -58.4 -49.7 9.8 33.7 32.0 54 54 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 3,-0.3 0.929 110.7 52.0 -64.7 -47.2 12.8 32.3 30.1 55 55 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.912 108.5 53.1 -58.5 -40.4 15.5 34.2 32.1 56 56 A K H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 111.4 46.4 -56.0 -38.9 13.9 32.9 35.3 57 57 A E H < S+ 0 0 114 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.885 116.0 44.7 -70.6 -40.7 14.1 29.4 34.0 58 58 A L H < S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.887 131.3 20.3 -71.5 -40.5 17.7 29.9 32.8 59 59 A Y >< + 0 0 60 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.2 -0.620 67.8 169.7-135.1 65.4 19.0 31.6 36.0 60 60 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.692 76.5 53.5 -59.5 -18.8 16.5 30.8 38.8 61 61 A S T 3 S+ 0 0 114 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.368 73.2 123.7-101.7 4.2 18.8 32.3 41.5 62 62 A L S < S- 0 0 14 -3,-1.8 5,-0.1 1,-0.1 82,-0.0 -0.280 82.6 -78.0 -51.0 148.8 19.4 35.8 40.1 63 63 A P >> - 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.237 39.6-123.2 -49.3 138.2 18.4 38.5 42.6 64 64 A E H 3> S+ 0 0 81 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.792 108.2 71.7 -56.5 -25.2 14.6 38.9 42.6 65 65 A D H 3> S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.794 88.2 61.1 -62.7 -30.5 15.2 42.5 41.8 66 66 A V H <> S+ 0 0 1 -3,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.946 110.0 42.1 -56.6 -48.2 16.3 41.6 38.2 67 67 A F H X S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.3 -2,-0.2 0.866 111.6 52.6 -74.2 -37.6 12.8 40.0 37.7 68 68 A H H X S+ 0 0 35 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.852 106.9 56.7 -56.7 -36.7 11.0 42.9 39.4 69 69 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.883 105.6 49.3 -61.4 -37.3 12.9 45.1 37.0 70 70 A L H X S+ 0 0 2 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.825 103.5 59.6 -79.7 -30.9 11.5 43.2 34.1 71 71 A D H X S+ 0 0 40 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 107.4 47.0 -56.5 -43.0 7.9 43.5 35.4 72 72 A F H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.938 112.0 50.0 -63.3 -43.6 8.4 47.3 35.2 73 73 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.893 107.8 53.3 -60.5 -44.7 9.8 47.0 31.7 74 74 A I H X S+ 0 0 25 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.932 108.1 51.9 -49.9 -48.9 6.8 44.8 30.7 75 75 A E H X S+ 0 0 17 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.873 107.8 50.5 -63.5 -39.8 4.5 47.6 32.0 76 76 A V H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.5 0.930 108.4 54.5 -60.1 -43.3 6.3 50.3 29.9 77 77 A M H 3X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.679 86.2 79.3 -73.2 -16.2 5.9 48.1 26.8 78 78 A I H 3X S+ 0 0 45 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.917 91.5 54.8 -55.0 -42.3 2.1 47.7 27.1 79 79 A G H S+ 0 0 5 -4,-0.5 4,-1.5 -3,-0.5 -1,-0.2 0.932 110.4 47.1 -69.4 -42.9 3.8 50.2 22.6 81 81 A G H X S+ 0 0 4 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.852 111.7 50.7 -64.8 -34.9 1.6 47.2 21.9 82 82 A M H < S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.913 111.7 48.7 -66.1 -43.3 -1.5 49.3 22.3 83 83 A A H < S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.752 113.5 46.9 -63.3 -28.5 0.1 51.8 19.8 84 84 A Y H < 0 0 45 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.712 360.0 360.0 -87.6 -24.8 0.8 48.9 17.4 85 85 A Q < 0 0 173 -4,-1.5 -3,-0.1 -5,-0.2 -2,-0.0 0.561 360.0 360.0 -62.3 360.0 -2.6 47.4 17.7 86 !* 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 87 5 B E > 0 0 142 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-108.8 18.7 62.0 29.0 88 6 B V H > + 0 0 114 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.841 360.0 58.6 -55.0 -37.2 16.0 63.5 31.1 89 7 B I H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.951 105.1 45.1 -58.2 -55.4 14.4 60.2 29.9 90 8 B E H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.900 113.9 49.3 -51.7 -49.3 17.2 58.0 31.4 91 9 B Q H X S+ 0 0 113 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.932 113.7 46.2 -58.5 -49.9 17.1 60.0 34.7 92 10 B R H X S+ 0 0 107 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.938 112.0 50.9 -58.4 -49.0 13.4 59.7 34.9 93 11 B Y H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.948 109.2 51.5 -54.7 -47.1 13.5 56.0 34.1 94 12 B H H X S+ 0 0 53 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.880 112.4 46.5 -55.6 -41.1 16.1 55.4 36.8 95 13 B Q H X S+ 0 0 110 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.939 114.9 45.0 -70.8 -45.7 13.8 57.2 39.3 96 14 B L H X S+ 0 0 12 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.919 115.5 46.3 -67.6 -43.0 10.7 55.4 38.4 97 15 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.895 111.6 50.0 -66.4 -43.2 12.3 51.9 38.2 98 16 B S H X S+ 0 0 46 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.909 110.4 52.5 -65.0 -38.2 14.1 52.3 41.5 99 17 B R H X S+ 0 0 83 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.960 111.2 45.8 -58.5 -53.5 10.8 53.4 43.1 100 18 B Y H X S+ 0 0 19 -4,-2.3 4,-2.4 8,-0.2 -2,-0.2 0.887 110.9 51.4 -55.5 -45.6 9.0 50.3 41.8 101 19 B I H < S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 116.5 43.5 -63.4 -37.7 11.7 47.9 42.9 102 20 B A H < S+ 0 0 85 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 127.1 27.2 -68.5 -46.0 11.6 49.5 46.4 103 21 B E H < S- 0 0 87 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.873 74.2-164.5 -90.0 -47.1 7.7 49.7 46.7 104 22 B L < + 0 0 76 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 0.842 40.9 140.5 57.2 38.4 6.5 46.8 44.6 105 23 B T > - 0 0 9 1,-0.1 4,-2.2 -5,-0.1 -1,-0.2 -0.721 66.1-119.5-105.6 155.4 3.0 48.3 44.6 106 24 B K H > S+ 0 0 34 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.843 114.1 57.0 -59.4 -36.4 0.5 48.5 41.8 107 25 B T H > S+ 0 0 32 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 109.6 43.0 -63.1 -46.2 0.5 52.3 42.0 108 26 B S H >4 S+ 0 0 1 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.870 115.1 50.2 -66.1 -40.3 4.3 52.5 41.5 109 27 B L H >< S+ 0 0 20 -4,-2.2 3,-2.2 1,-0.2 4,-0.4 0.917 102.8 61.8 -62.3 -45.3 4.2 49.9 38.7 110 28 B Y H >X S+ 0 0 43 -4,-2.8 3,-1.9 1,-0.3 4,-0.6 0.754 85.5 74.7 -52.5 -29.2 1.4 51.8 37.0 111 29 B Q H S+ 0 0 0 -3,-2.2 4,-2.1 -4,-0.3 -1,-0.3 0.847 92.8 57.5 -54.6 -33.9 5.4 52.8 33.8 113 31 B Q H <> S+ 0 0 46 -3,-1.9 4,-1.4 -4,-0.4 -1,-0.2 0.851 105.6 45.9 -70.7 -31.9 2.2 53.6 31.8 114 32 B K H X S+ 0 0 86 -4,-0.6 4,-1.5 -3,-0.4 -1,-0.2 0.867 111.5 54.6 -77.4 -36.6 2.6 57.4 32.1 115 33 B F H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.933 108.9 46.3 -54.7 -46.8 6.3 57.1 31.2 116 34 B S H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.840 104.0 62.8 -74.0 -30.8 5.5 55.2 28.0 117 35 B R H X S+ 0 0 127 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.942 110.8 40.4 -53.5 -46.4 2.8 57.7 27.1 118 36 B K H X S+ 0 0 115 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.986 112.1 51.9 -62.2 -61.9 5.6 60.3 27.0 119 37 B T H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.3 -2,-0.2 0.845 112.3 48.4 -49.6 -40.9 8.2 58.2 25.3 120 38 B I H ><5S+ 0 0 55 -4,-2.4 3,-1.6 3,-0.2 -1,-0.3 0.901 108.6 52.9 -67.9 -44.3 5.7 57.4 22.5 121 39 B E H 3<5S+ 0 0 129 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.914 111.4 47.8 -52.9 -43.0 4.7 61.0 22.2 122 40 B H T 3<5S- 0 0 139 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.370 116.0-118.9 -83.1 6.4 8.4 61.7 21.7 123 41 B Q T < 5 + 0 0 174 -3,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.841 49.6 168.7 63.4 34.9 8.7 58.9 19.2 124 42 B I < - 0 0 25 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.717 34.0-126.3 -78.2 123.0 11.2 56.9 21.2 125 43 B P >> - 0 0 40 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.357 15.8-112.9 -74.8 156.2 11.5 53.5 19.5 126 44 B P H 3> S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.821 113.5 57.6 -59.4 -37.4 10.9 50.3 21.5 127 45 B E H 3> S+ 0 0 49 32,-0.4 4,-2.4 1,-0.2 5,-0.1 0.845 103.1 56.9 -61.4 -33.2 14.5 49.0 21.2 128 46 B E H <> S+ 0 0 86 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.877 99.8 56.8 -70.0 -32.9 15.6 52.2 22.9 129 47 B I H X S+ 0 0 1 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.951 109.5 46.8 -56.4 -48.2 13.4 51.5 25.9 130 48 B I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.886 109.8 52.8 -61.1 -45.0 15.3 48.2 26.3 131 49 B S H X S+ 0 0 50 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.922 108.9 49.8 -53.0 -48.1 18.7 50.0 25.9 132 50 B I H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.926 110.9 49.9 -57.6 -44.4 17.7 52.4 28.7 133 51 B H H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.930 109.4 51.6 -63.3 -42.7 16.7 49.5 30.9 134 52 B R H X S+ 0 0 61 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.910 113.9 43.9 -54.5 -48.3 20.0 47.8 30.3 135 53 B K H X S+ 0 0 94 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 117.2 43.8 -69.0 -49.1 22.0 50.9 31.2 136 54 B V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.894 112.6 52.5 -66.7 -41.0 19.9 51.8 34.3 137 55 B L H X S+ 0 0 1 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.937 109.8 49.3 -61.1 -41.4 19.8 48.1 35.5 138 56 B K H < S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.900 112.0 49.0 -60.9 -42.6 23.7 48.0 35.2 139 57 B E H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.934 116.3 42.2 -59.4 -49.3 23.9 51.3 37.2 140 58 B L H < S+ 0 0 44 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.770 130.0 25.2 -69.9 -30.7 21.5 50.0 39.9 141 59 B Y >< + 0 0 54 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.3 -0.612 66.9 168.0-138.9 72.0 23.1 46.5 40.1 142 60 B P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.679 73.3 57.6 -69.0 -16.3 26.7 46.6 38.9 143 61 B S T 3 S+ 0 0 118 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.252 74.2 127.4 -99.5 18.6 27.7 43.1 40.1 144 62 B L S < S- 0 0 16 -3,-1.5 2,-0.0 -6,-0.1 5,-0.0 -0.377 73.5 -93.4 -65.4 152.2 25.0 41.2 38.1 145 63 B P >> - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.404 33.5-118.7 -67.5 146.7 26.4 38.4 36.0 146 64 B E H >> S+ 0 0 83 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.736 106.3 74.3 -60.5 -25.2 27.2 39.5 32.5 147 65 B D H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.797 88.2 60.4 -62.5 -28.5 24.7 37.0 31.0 148 66 B V H <> S+ 0 0 3 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.920 109.6 42.7 -59.9 -42.1 21.8 39.2 32.2 149 67 B F H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 3,-0.6 0.919 108.3 54.0 -54.8 -46.6 14.1 41.6 18.7 159 77 B M H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -32,-0.4 0.753 91.7 73.1 -67.2 -25.9 12.5 45.0 19.5 160 78 B I H 3X S+ 0 0 48 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.947 95.6 51.2 -55.9 -49.3 14.2 46.7 16.5 161 79 B G H > 0 0 62 0, 0.0 4,-1.7 0, 0.0 3,-1.7 0.000 360.0 360.0 360.0 -29.2 -6.7 7.3 19.2 170 4 C R T 34 + 0 0 128 1,-0.3 4,-0.4 2,-0.2 36,-0.0 0.687 360.0 66.1 -57.9 -19.3 -9.4 9.6 20.5 171 5 C E T 34 S+ 0 0 196 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.660 117.6 20.6 -79.8 -15.5 -7.4 9.6 23.7 172 6 C V T <> S+ 0 0 52 -3,-1.7 4,-2.6 2,-0.1 -2,-0.2 0.457 95.6 97.4-125.8 -10.0 -4.5 11.5 22.0 173 7 C I H X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.851 84.9 49.0 -58.7 -41.7 -6.0 13.1 18.9 174 8 C E H > S+ 0 0 81 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.936 112.8 46.2 -68.1 -44.4 -6.5 16.5 20.4 175 9 C Q H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 113.7 50.8 -61.0 -45.7 -3.0 16.8 21.8 176 10 C R H X S+ 0 0 99 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.901 112.1 46.1 -60.1 -42.7 -1.6 15.6 18.5 177 11 C Y H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.884 110.0 53.8 -69.6 -39.5 -3.6 18.2 16.5 178 12 C H H X S+ 0 0 23 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.942 113.9 43.2 -55.2 -48.2 -2.6 20.9 19.0 179 13 C Q H X S+ 0 0 108 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.943 116.9 45.0 -64.7 -51.3 1.1 20.0 18.4 180 14 C L H X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.935 117.1 44.7 -63.5 -47.1 0.8 19.6 14.6 181 15 C L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.927 113.6 48.2 -62.0 -48.3 -1.3 22.8 14.1 182 16 C S H X S+ 0 0 9 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.874 111.2 52.3 -63.1 -41.3 0.8 25.0 16.4 183 17 C R H X S+ 0 0 150 -4,-2.3 4,-2.8 -5,-0.2 5,-0.4 0.923 109.6 48.3 -57.8 -46.6 4.0 23.8 14.7 184 18 C Y H X S+ 0 0 22 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.936 113.3 47.4 -61.1 -45.5 2.6 24.6 11.2 185 19 C I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 117.2 43.2 -62.9 -40.0 1.6 28.1 12.4 186 20 C A H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.817 128.9 27.3 -71.5 -35.0 5.0 28.7 14.0 187 21 C E H < S- 0 0 46 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.825 73.7-163.2 -97.4 -41.0 7.0 27.2 11.1 188 22 C L < + 0 0 75 -4,-2.9 2,-0.2 -5,-0.4 -4,-0.1 0.790 43.1 140.5 52.8 33.6 4.9 27.7 8.0 189 23 C T > - 0 0 60 1,-0.1 4,-2.3 -5,-0.1 -1,-0.2 -0.559 64.6-120.3 -96.3 167.2 7.1 25.1 6.2 190 24 C K H > S+ 0 0 168 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.804 114.6 57.2 -77.7 -29.9 5.9 22.4 3.7 191 25 C T H > S+ 0 0 107 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.936 110.3 42.6 -65.4 -42.3 7.3 19.8 6.0 192 26 C S H >4 S+ 0 0 6 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.933 114.6 51.1 -67.1 -45.9 5.1 21.0 8.9 193 27 C L H >< S+ 0 0 19 -4,-2.3 3,-2.2 1,-0.2 4,-0.5 0.914 103.0 61.7 -53.5 -43.9 2.2 21.5 6.5 194 28 C Y H >X S+ 0 0 105 -4,-2.9 4,-1.5 1,-0.3 3,-0.9 0.746 85.3 72.8 -55.1 -31.1 2.7 17.8 5.3 195 29 C Q H S+ 0 0 0 -3,-2.2 4,-2.4 -4,-0.4 -1,-0.2 0.893 100.2 49.1 -59.2 -40.3 -1.7 17.3 8.1 197 31 C Q H <> S+ 0 0 58 -3,-0.9 4,-1.5 -4,-0.5 -1,-0.2 0.885 113.2 47.7 -68.6 -35.9 -1.8 14.8 5.2 198 32 C K H X S+ 0 0 86 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.858 109.8 52.9 -67.0 -42.4 -0.2 12.3 7.6 199 33 C F H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.935 106.5 52.6 -54.3 -50.8 -2.7 13.2 10.4 200 34 C S H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.898 102.8 57.9 -62.8 -40.7 -5.7 12.6 8.0 201 35 C R H X S+ 0 0 127 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.941 111.4 43.9 -47.2 -51.2 -4.4 9.1 7.1 202 36 C K H X S+ 0 0 66 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.969 115.0 46.3 -55.3 -57.6 -4.6 8.3 10.8 203 37 C T H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -2,-0.2 0.881 113.3 49.4 -62.6 -40.7 -8.0 9.9 11.5 204 38 C I H ><5S+ 0 0 33 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.929 109.5 52.1 -62.7 -47.9 -9.5 8.3 8.4 205 39 C E H 3<5S+ 0 0 141 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.848 111.4 47.7 -54.4 -37.1 -8.2 4.9 9.4 206 40 C H T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.267 115.0-118.7 -90.1 10.6 -9.8 5.4 12.9 207 41 C Q T < 5 + 0 0 98 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.790 50.1 167.3 59.9 34.9 -13.1 6.4 11.3 208 42 C I < - 0 0 0 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.691 36.1-125.6 -74.8 122.1 -13.1 10.0 12.8 209 43 C P >> - 0 0 21 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.320 16.6-112.0 -73.8 157.6 -15.9 11.8 10.8 210 44 C P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.850 115.7 58.2 -58.6 -35.2 -15.1 15.1 9.1 211 45 C E H 3> S+ 0 0 48 32,-0.4 4,-2.4 1,-0.2 5,-0.1 0.875 102.1 54.3 -65.8 -35.0 -17.3 17.1 11.4 212 46 C E H <> S+ 0 0 44 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.854 102.9 57.7 -63.7 -36.0 -15.2 15.9 14.4 213 47 C I H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.945 108.2 46.2 -54.8 -52.5 -12.1 17.2 12.7 214 48 C I H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.906 111.5 50.3 -58.9 -43.9 -13.7 20.7 12.6 215 49 C S H X S+ 0 0 47 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.908 109.8 51.3 -62.3 -40.4 -14.8 20.5 16.2 216 50 C I H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.951 110.8 49.6 -56.9 -47.2 -11.2 19.5 17.2 217 51 C H H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.928 110.3 50.2 -56.9 -45.7 -9.9 22.5 15.2 218 52 C R H X S+ 0 0 57 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.912 113.5 44.4 -58.0 -48.9 -12.4 24.8 17.0 219 53 C K H X S+ 0 0 102 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 116.9 45.4 -64.7 -47.4 -11.4 23.6 20.5 220 54 C V H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.905 112.7 51.1 -63.2 -44.5 -7.6 23.7 19.6 221 55 C L H X S+ 0 0 1 -4,-3.3 4,-2.5 -5,-0.3 -2,-0.2 0.894 110.1 48.9 -62.7 -39.7 -7.9 27.2 18.0 222 56 C K H < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.3 48.8 -67.2 -39.2 -9.7 28.6 21.0 223 57 C E H < S+ 0 0 68 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.7 46.5 -65.5 -39.9 -7.0 27.1 23.4 224 58 C L H < S+ 0 0 2 -4,-2.7 -221,-2.4 1,-0.3 -220,-0.3 0.875 129.4 20.7 -69.5 -38.6 -4.3 28.6 21.1 225 59 C Y >< + 0 0 34 -4,-2.5 3,-1.7 -5,-0.2 -1,-0.3 -0.647 65.9 173.2-135.8 77.2 -5.9 32.0 20.8 226 60 C P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.665 77.0 59.4 -59.6 -18.3 -8.3 32.6 23.6 227 61 C S T 3 S+ 0 0 115 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.522 73.8 125.4 -91.8 -5.1 -8.8 36.3 22.6 228 62 C L S < S- 0 0 15 -3,-1.7 5,-0.1 -7,-0.2 87,-0.0 -0.177 75.5 -91.7 -52.4 142.6 -10.1 35.6 19.1 229 63 C P >> - 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.271 30.1-124.8 -55.1 141.9 -13.5 37.2 18.3 230 64 C E H >> S+ 0 0 82 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.799 107.6 72.7 -60.9 -27.9 -16.4 34.8 19.1 231 65 C D H 3> S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.799 89.3 60.9 -55.8 -31.2 -17.6 35.2 15.5 232 66 C V H <> S+ 0 0 3 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.937 110.0 40.2 -54.9 -47.5 -14.6 33.1 14.5 233 67 C F H X S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.919 109.0 52.3 -57.2 -44.3 -22.1 21.5 6.9 243 77 C M H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -32,-0.4 0.766 91.6 75.2 -72.0 -23.0 -19.6 18.6 7.5 244 78 C I H 3X S+ 0 0 52 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.928 95.4 49.8 -54.6 -42.3 -22.1 16.5 9.4 245 79 C G H 0 0 157 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-167.9 -25.5 27.5 -11.9 256 3 D F H >> + 0 0 31 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.830 360.0 35.1 -69.1 -51.1 -24.3 25.7 -8.9 257 4 D R H 34 S+ 0 0 139 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.817 114.5 61.6 -63.8 -30.1 -20.4 25.9 -8.8 258 5 D E H 34 S+ 0 0 149 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.8 28.2 -68.5 -29.9 -20.6 29.4 -10.3 259 6 D V H S+ 0 0 50 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.901 111.2 48.9 -67.9 -41.2 -19.4 31.2 -2.9 262 9 D Q H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 112.3 49.2 -61.7 -41.4 -22.2 33.7 -3.1 263 10 D R H X S+ 0 0 120 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.944 112.9 46.3 -63.0 -45.8 -24.6 31.1 -1.5 264 11 D Y H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.887 109.2 55.4 -68.7 -39.6 -22.1 30.4 1.4 265 12 D H H X S+ 0 0 84 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.916 111.2 45.0 -53.9 -48.7 -21.5 34.1 1.9 266 13 D Q H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 117.6 43.3 -60.5 -49.8 -25.3 34.6 2.4 267 14 D L H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 115.4 46.1 -70.2 -43.9 -25.7 31.6 4.7 268 15 D L H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.945 113.7 48.4 -66.2 -47.3 -22.6 32.1 6.9 269 16 D S H X S+ 0 0 41 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.870 111.1 52.9 -61.3 -37.0 -23.3 35.8 7.4 270 17 D R H X S+ 0 0 75 -4,-2.2 4,-2.8 -5,-0.2 5,-0.4 0.953 111.9 43.7 -60.7 -51.9 -26.9 34.9 8.3 271 18 D Y H X S+ 0 0 19 -4,-2.2 4,-3.1 8,-0.2 -2,-0.2 0.951 112.7 51.8 -58.3 -50.1 -25.9 32.4 10.9 272 19 D I H < S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 117.2 40.3 -56.0 -42.4 -23.2 34.6 12.4 273 20 D A H < S+ 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 128.8 27.6 -74.4 -39.5 -25.7 37.5 12.7 274 21 D E H < S- 0 0 103 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.839 72.6-165.6 -95.8 -40.6 -28.7 35.5 13.9 275 22 D L < + 0 0 76 -4,-3.1 2,-0.2 -5,-0.4 -4,-0.1 0.682 39.2 141.8 56.4 25.9 -27.3 32.4 15.8 276 23 D T > - 0 0 63 1,-0.1 4,-2.0 -5,-0.1 -1,-0.2 -0.571 64.4-119.4 -91.3 160.4 -30.7 30.7 15.7 277 24 D K H > S+ 0 0 167 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.802 115.0 58.2 -65.3 -31.8 -31.1 26.9 15.1 278 25 D T H > S+ 0 0 92 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.917 107.4 45.8 -65.1 -44.1 -33.1 27.7 12.0 279 26 D S H >4 S+ 0 0 1 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.885 112.5 51.0 -66.4 -38.3 -30.2 29.6 10.5 280 27 D L H >< S+ 0 0 16 -4,-2.0 3,-2.1 1,-0.2 4,-0.4 0.877 100.2 65.0 -60.9 -38.0 -27.9 26.8 11.5 281 28 D Y H >X S+ 0 0 108 -4,-2.2 3,-1.6 1,-0.3 4,-1.2 0.761 85.1 72.7 -56.5 -31.2 -30.2 24.3 9.8 282 29 D Q H S+ 0 0 0 -3,-2.1 4,-2.4 -4,-0.3 -1,-0.3 0.807 98.9 50.5 -55.8 -38.5 -26.0 24.3 6.7 284 31 D Q H <> S+ 0 0 72 -3,-1.6 4,-1.7 -4,-0.4 -2,-0.2 0.845 110.8 47.9 -73.7 -34.9 -27.6 20.9 6.3 285 32 D K H X S+ 0 0 99 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.872 112.0 51.6 -69.6 -36.4 -29.5 22.1 3.2 286 33 D F H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.950 109.4 47.8 -60.7 -54.2 -26.3 23.5 1.9 287 34 D S H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.842 106.4 58.9 -59.8 -36.0 -24.3 20.2 2.3 288 35 D R H X S+ 0 0 178 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.954 111.4 41.2 -56.4 -47.0 -27.2 18.3 0.7 289 36 D K H X S+ 0 0 101 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.887 114.3 50.2 -69.2 -37.6 -26.7 20.5 -2.5 290 37 D T H ><>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.7 0.943 110.5 49.8 -71.0 -41.0 -22.9 20.4 -2.4 291 38 D I H ><5S+ 0 0 37 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.916 106.4 57.1 -57.7 -43.1 -22.9 16.6 -2.0 292 39 D E H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 110.0 46.2 -61.8 -23.2 -25.4 16.5 -5.0 293 40 D H T <<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.184 114.6-115.0-104.4 16.2 -22.7 18.4 -7.0 294 41 D Q T < 5 + 0 0 140 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.813 53.9 165.9 59.9 34.5 -19.7 16.2 -5.9 295 42 D I < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.720 33.6-131.3 -82.4 118.7 -18.1 19.2 -4.1 296 43 D P >> - 0 0 22 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.379 17.0-113.5 -74.5 157.6 -15.4 17.6 -1.9 297 44 D P H 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.868 113.4 61.2 -60.2 -34.0 -15.2 18.7 1.8 298 45 D E H 3> S+ 0 0 18 32,-0.5 4,-2.5 1,-0.2 5,-0.2 0.901 100.9 54.0 -55.2 -40.5 -11.8 20.4 1.3 299 46 D E H <> S+ 0 0 47 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.863 103.7 54.9 -64.8 -35.3 -13.4 22.8 -1.2 300 47 D I H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.908 109.7 47.7 -61.8 -43.0 -16.1 23.8 1.3 301 48 D I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.895 109.6 51.9 -65.3 -40.9 -13.3 24.7 3.8 302 49 D S H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.904 110.9 49.7 -55.7 -44.8 -11.4 26.7 1.1 303 50 D I H X S+ 0 0 18 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.941 109.4 51.1 -60.4 -46.8 -14.7 28.5 0.5 304 51 D H H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.900 108.9 51.9 -55.3 -44.1 -15.1 29.2 4.2 305 52 D R H X S+ 0 0 58 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.897 112.8 43.8 -60.3 -45.1 -11.5 30.6 4.3 306 53 D K H X S+ 0 0 96 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.925 116.2 46.4 -69.2 -48.3 -12.2 33.0 1.5 307 54 D V H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.897 112.1 50.7 -66.6 -39.2 -15.6 34.1 2.8 308 55 D L H X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.888 108.6 52.1 -65.1 -35.4 -14.3 34.5 6.3 309 56 D K H < S+ 0 0 61 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.875 111.6 47.9 -66.3 -39.3 -11.3 36.7 5.0 310 57 D E H < S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.910 112.7 47.5 -68.4 -43.2 -13.9 38.8 3.2 311 58 D L H < S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.817 129.0 21.1 -62.4 -34.0 -16.2 39.2 6.2 312 59 D Y >< + 0 0 58 -4,-1.8 3,-1.7 -5,-0.2 -1,-0.2 -0.637 65.7 170.8-141.5 70.1 -13.4 40.1 8.7 313 60 D P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.736 79.9 55.0 -62.8 -18.2 -10.4 41.4 6.7 314 61 D S T 3 S+ 0 0 107 -3,-0.1 3,-0.1 2,-0.0 -5,-0.1 0.562 75.0 120.4 -92.2 -8.3 -8.7 42.4 10.0 315 62 D L S < S- 0 0 12 -3,-1.7 5,-0.1 -7,-0.2 -3,-0.0 -0.226 81.5 -85.6 -47.2 142.5 -8.8 39.1 11.8 316 63 D P >> - 0 0 37 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.275 32.9-123.1 -55.1 142.4 -5.3 37.9 12.7 317 64 D E H >> S+ 0 0 61 -278,-0.4 4,-2.1 1,-0.3 3,-0.9 0.779 105.9 71.5 -58.3 -31.9 -3.5 36.1 9.9 318 65 D D H 3> S+ 0 0 3 1,-0.3 4,-2.4 -279,-0.3 -1,-0.3 0.767 88.6 62.3 -58.6 -31.9 -3.0 33.0 12.1 319 66 D V H <> S+ 0 0 4 -3,-1.4 4,-1.8 2,-0.2 -1,-0.3 0.917 108.5 43.7 -55.5 -44.7 -6.7 32.3 11.9 320 67 D F H X S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.6 0.918 110.9 53.3 -59.5 -46.3 -6.2 17.6 6.5 330 77 D M H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -32,-0.5 0.723 91.3 74.1 -67.6 -21.9 -9.6 17.6 4.7 331 78 D I H 3X S+ 0 0 57 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.3 0.925 94.7 54.5 -47.0 -51.6 -7.8 16.9 1.3 332 79 D G H 0 0 156 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -50.6 7.7 49.1 57.2 341 3 E F H > + 0 0 66 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.890 360.0 61.7 -62.8 -40.3 4.3 50.8 58.0 342 4 E R H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 100.2 54.3 -50.2 -38.1 2.9 48.8 55.1 343 5 E E H > S+ 0 0 111 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 105.4 52.5 -68.6 -37.7 3.8 45.7 57.1 344 6 E V H X S+ 0 0 61 -4,-1.1 4,-2.2 -3,-0.5 -2,-0.2 0.948 111.7 45.7 -54.4 -54.0 1.8 47.0 60.2 345 7 E I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.848 111.6 52.1 -65.9 -36.9 -1.3 47.6 58.0 346 8 E E H X S+ 0 0 30 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.894 111.3 46.0 -66.7 -44.9 -1.0 44.1 56.3 347 9 E Q H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.881 111.0 52.9 -67.1 -35.8 -0.8 42.3 59.6 348 10 E R H X S+ 0 0 72 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.899 110.2 49.1 -64.8 -43.3 -3.7 44.3 61.0 349 11 E Y H X S+ 0 0 40 -4,-2.3 4,-3.5 2,-0.2 5,-0.4 0.919 107.0 54.9 -60.6 -42.1 -5.7 43.3 57.9 350 12 E H H X S+ 0 0 63 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.934 112.8 42.6 -55.3 -48.8 -4.8 39.6 58.4 351 13 E Q H X S+ 0 0 62 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.960 116.6 46.4 -64.5 -52.2 -6.1 39.7 61.9 352 14 E L H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 116.4 45.1 -58.4 -47.4 -9.3 41.7 61.2 353 15 E L H X S+ 0 0 22 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.910 113.4 48.3 -64.8 -44.5 -10.1 39.6 58.1 354 16 E S H X S+ 0 0 39 -4,-2.4 4,-2.0 -5,-0.4 -1,-0.2 0.885 111.2 52.1 -65.5 -35.3 -9.5 36.3 59.8 355 17 E R H X S+ 0 0 116 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.933 109.7 48.6 -63.5 -44.8 -11.6 37.3 62.8 356 18 E Y H X S+ 0 0 76 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.946 110.9 50.1 -61.9 -47.9 -14.6 38.3 60.6 357 19 E I H < S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.5 41.8 -58.0 -40.7 -14.4 35.1 58.7 358 20 E A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.804 126.0 33.8 -71.4 -31.7 -14.4 33.1 62.0 359 21 E E H < S- 0 0 103 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.859 73.3-166.6 -98.2 -42.6 -17.0 35.3 63.7 360 22 E L < + 0 0 118 -4,-3.2 2,-0.3 -5,-0.3 -4,-0.1 0.917 42.8 133.8 46.7 52.1 -19.4 36.4 61.0 361 23 E T > - 0 0 58 -5,-0.1 4,-1.9 1,-0.1 -1,-0.2 -0.871 69.8-117.8-119.3 158.8 -21.0 39.0 63.3 362 24 E K H > S+ 0 0 164 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.875 113.3 59.2 -59.1 -38.2 -21.9 42.6 62.7 363 25 E T H > S+ 0 0 103 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.920 108.3 42.2 -57.1 -48.4 -19.4 43.7 65.4 364 26 E S H >4 S+ 0 0 11 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.860 113.5 52.2 -73.4 -36.9 -16.4 42.1 63.6 365 27 E L H >< S+ 0 0 72 -4,-1.9 3,-2.3 1,-0.2 4,-0.3 0.905 101.2 62.8 -58.0 -43.4 -17.5 43.3 60.2 366 28 E Y H >X S+ 0 0 137 -4,-2.4 3,-1.9 1,-0.3 4,-0.8 0.778 84.5 75.5 -55.1 -28.2 -17.7 46.8 61.7 367 29 E Q H S+ 0 0 56 -3,-2.3 4,-2.6 -4,-0.2 -1,-0.3 0.821 90.2 56.4 -59.9 -34.2 -13.5 47.3 58.6 369 31 E Q H <> S+ 0 0 105 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.917 107.0 46.7 -68.9 -42.0 -14.6 51.0 59.1 370 32 E K H X S+ 0 0 49 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.933 112.7 52.6 -61.5 -47.1 -11.8 51.6 61.7 371 33 E F H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.929 111.1 44.1 -52.8 -52.9 -9.4 49.8 59.3 372 34 E S H X S+ 0 0 53 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.885 107.4 58.9 -65.8 -37.1 -10.3 52.0 56.3 373 35 E R H X S+ 0 0 137 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.938 110.7 44.8 -53.4 -46.3 -10.2 55.2 58.3 374 36 E K H X S+ 0 0 58 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.842 111.7 49.4 -64.1 -40.5 -6.6 54.4 59.2 375 37 E T H <>S+ 0 0 4 -4,-1.9 5,-3.3 2,-0.2 -1,-0.2 0.886 111.8 49.8 -72.7 -34.8 -5.5 53.4 55.7 376 38 E I H ><5S+ 0 0 119 -4,-2.5 3,-1.4 3,-0.2 -1,-0.2 0.862 108.3 52.8 -64.4 -39.7 -7.0 56.6 54.3 377 39 E E H 3<5S+ 0 0 131 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.876 110.3 48.6 -64.4 -37.0 -5.2 58.6 57.0 378 40 E H T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.279 117.3-118.9 -83.2 7.6 -2.0 56.8 55.8 379 41 E Q T < 5 + 0 0 177 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.818 53.9 162.4 62.5 32.2 -2.9 57.7 52.2 380 42 E I < - 0 0 11 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.764 33.3-132.9 -83.4 120.8 -3.2 54.1 51.0 381 43 E P >> - 0 0 25 0, 0.0 4,-1.2 0, 0.0 3,-1.0 -0.298 20.3-104.8 -77.1 160.8 -5.1 54.1 47.7 382 44 E P H >> S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.855 116.7 58.7 -48.6 -48.0 -8.0 51.6 46.9 383 45 E E H 3> S+ 0 0 2 32,-0.5 4,-2.1 1,-0.2 33,-0.1 0.856 103.7 53.6 -50.5 -39.2 -5.9 49.4 44.6 384 46 E E H <> S+ 0 0 13 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.844 102.0 57.8 -70.9 -32.8 -3.5 48.7 47.4 385 47 E I H < + 0 0 94 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.618 68.4 172.1-126.9 73.3 -6.2 30.0 51.9 398 60 E P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.687 75.6 48.9 -58.4 -22.1 -3.1 28.6 50.2 399 61 E S T 3 S+ 0 0 118 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.191 73.9 127.5-111.9 15.2 -4.9 26.1 48.0 400 62 E L S < S- 0 0 60 -3,-1.6 5,-0.1 -6,-0.2 -3,-0.0 -0.389 75.2 -86.0 -60.1 148.3 -7.7 28.1 46.4 401 63 E P >> - 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.261 33.2-124.2 -55.2 143.9 -7.8 27.9 42.6 402 64 E E H 3> S+ 0 0 85 1,-0.3 4,-3.0 2,-0.2 3,-0.4 0.781 106.6 75.9 -69.8 -23.2 -5.5 30.4 41.0 403 65 E D H 3> S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.822 89.5 58.1 -50.8 -34.3 -8.5 31.7 39.0 404 66 E V H <> S+ 0 0 47 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.945 110.2 41.3 -59.4 -47.6 -9.5 33.4 42.3 405 67 E F H X S+ 0 0 0 -4,-0.7 4,-2.2 -3,-0.4 -2,-0.2 0.872 111.3 55.5 -72.0 -39.9 -6.3 35.3 42.4 406 68 E H H X S+ 0 0 112 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.891 107.2 52.4 -53.1 -42.7 -6.4 36.0 38.7 407 69 E S H X S+ 0 0 69 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.912 107.9 49.9 -62.9 -38.6 -9.8 37.6 39.4 408 70 E L H X S+ 0 0 22 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.830 104.2 59.6 -70.3 -32.6 -8.4 39.8 42.1 409 71 E D H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.901 107.2 46.3 -56.6 -40.2 -5.6 40.9 39.7 410 72 E F H X S+ 0 0 155 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 50.5 -67.5 -43.5 -8.3 42.2 37.4 411 73 E L H X S+ 0 0 72 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 107.1 54.0 -62.1 -39.4 -10.1 43.9 40.4 412 74 E I H X S+ 0 0 8 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.932 108.0 51.2 -56.5 -49.6 -6.8 45.5 41.4 413 75 E E H X S+ 0 0 75 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.884 108.9 50.1 -56.4 -43.8 -6.5 47.0 37.9 414 76 E V H >< S+ 0 0 70 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.905 106.0 57.0 -58.3 -45.4 -10.0 48.4 38.0 415 77 E M H >X S+ 0 0 38 -4,-2.2 3,-1.1 1,-0.2 4,-0.8 0.755 87.0 77.4 -66.7 -23.8 -9.4 50.1 41.4 416 78 E I H >< S+ 0 0 6 -4,-1.2 3,-1.4 -3,-0.4 -1,-0.2 0.905 90.4 55.6 -47.3 -48.4 -6.4 52.0 40.0 417 79 E G G X< S+ 0 0 52 -3,-1.0 3,-0.6 -4,-0.5 -1,-0.3 0.777 106.7 51.6 -52.2 -30.1 -8.8 54.4 38.3 418 80 E Y G <4 S+ 0 0 176 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.610 103.0 59.6 -84.5 -14.6 -10.3 55.0 41.8 419 81 E G G << 0 0 26 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.223 360.0 360.0-102.5 13.4 -7.0 55.8 43.3 420 82 E M < 0 0 137 -3,-0.6 -1,-0.1 -4,-0.1 0, 0.0 -0.957 360.0 360.0-164.5 360.0 -6.0 58.8 41.2