==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-06 2IAZ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SP1372; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR R.ZHANG,L.BIGELOW,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 441 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 89.8 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 1 0 1 0 0 0 0 0 1 3 5 3 1 0 1 1 1 0 0 3 0 0 0 0 1 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 0 A G > 0 0 58 0, 0.0 4,-1.4 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 -60.2 40.2 59.4 4.4 2 1 A X H > + 0 0 113 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.876 360.0 50.8 -71.2 -44.5 37.4 57.5 6.1 3 2 A S H > S+ 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.955 109.6 53.1 -60.3 -50.6 35.1 57.5 3.2 4 3 A N H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.891 108.7 48.7 -42.9 -53.6 37.9 56.2 1.0 5 4 A I H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.919 114.3 46.4 -57.6 -44.8 38.5 53.3 3.5 6 5 A Y H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.873 112.9 48.5 -72.6 -36.1 34.8 52.5 3.5 7 6 A D H X S+ 0 0 91 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.867 114.3 45.7 -62.8 -42.3 34.5 52.7 -0.3 8 7 A S H X S+ 0 0 6 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.881 111.5 53.0 -72.0 -41.1 37.5 50.5 -0.9 9 8 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.875 110.8 47.0 -54.2 -47.9 36.3 48.1 1.8 10 9 A N H X S+ 0 0 60 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.946 112.5 50.0 -60.3 -52.3 32.9 47.9 -0.1 11 10 A E H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.893 113.3 44.7 -52.3 -47.8 34.6 47.4 -3.4 12 11 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 218,-0.2 -1,-0.2 0.906 112.4 53.0 -66.6 -43.0 36.8 44.6 -2.1 13 12 A S H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.899 112.3 42.8 -55.0 -51.8 33.8 43.0 -0.2 14 13 A R H X S+ 0 0 161 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.893 113.1 55.4 -64.5 -39.4 31.7 42.9 -3.4 15 14 A G H < S+ 0 0 20 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.911 107.9 47.1 -57.0 -43.9 34.7 41.7 -5.3 16 15 A L H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.927 110.9 51.3 -68.5 -41.1 35.3 38.8 -3.0 17 16 A R H 3< S+ 0 0 99 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.769 109.8 52.6 -64.1 -26.5 31.6 37.8 -3.1 18 17 A G T 3< S+ 0 0 44 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.454 82.4 113.7 -87.9 -1.8 31.8 37.9 -6.9 19 18 A L S <> S- 0 0 20 -3,-1.2 4,-2.2 -4,-0.4 3,-0.2 -0.421 71.6-132.0 -66.5 135.3 34.9 35.5 -7.1 20 19 A P H > S+ 0 0 95 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.874 108.6 57.2 -56.7 -31.8 34.1 32.2 -8.7 21 20 A E H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 69,-0.2 0.870 106.7 47.8 -65.4 -38.6 35.8 30.5 -5.8 22 21 A Y H > S+ 0 0 48 -6,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.921 114.1 46.7 -65.0 -46.7 33.5 32.2 -3.3 23 22 A K H X S+ 0 0 136 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.944 108.1 56.1 -62.8 -43.9 30.4 31.2 -5.4 24 23 A A H X S+ 0 0 32 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.899 110.4 45.8 -55.3 -42.8 31.7 27.6 -5.8 25 24 A V H X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.896 112.8 48.9 -67.6 -42.8 31.9 27.3 -2.0 26 25 A K H X S+ 0 0 100 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 112.0 49.0 -64.6 -43.8 28.4 28.9 -1.4 27 26 A A H X S+ 0 0 64 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.894 112.2 49.1 -60.7 -40.3 26.8 26.6 -4.0 28 27 A A H X S+ 0 0 7 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.834 110.8 48.9 -70.9 -32.5 28.5 23.5 -2.4 29 28 A K H X S+ 0 0 80 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 110.3 52.1 -72.6 -38.2 27.3 24.5 1.1 30 29 A D H X S+ 0 0 76 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.878 105.8 54.7 -59.5 -42.7 23.8 25.0 -0.3 31 30 A A H X S+ 0 0 35 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.860 108.7 48.2 -61.4 -38.1 23.9 21.5 -1.9 32 31 A I H >< S+ 0 0 1 -4,-1.4 3,-2.2 2,-0.2 7,-0.5 0.979 107.8 54.5 -63.1 -55.2 24.8 20.0 1.6 33 32 A A H 3< S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.813 112.1 45.9 -47.7 -33.3 21.9 22.0 3.1 34 33 A A H 3< S+ 0 0 90 -4,-1.7 2,-0.7 -5,-0.1 -1,-0.3 0.522 99.3 76.3 -87.4 -10.4 19.6 20.3 0.5 35 34 A D S+ 0 0 90 -2,-0.7 4,-1.2 1,-0.2 -1,-0.1 0.816 92.6 49.1 -52.2 -33.9 19.5 15.2 4.2 37 36 A E H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 114.0 41.4 -73.2 -50.7 22.5 12.8 4.4 38 37 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.839 110.0 60.5 -64.3 -39.7 25.4 15.3 3.9 39 38 A S H X S+ 0 0 31 -4,-2.8 4,-2.2 -7,-0.5 -1,-0.2 0.899 107.5 45.2 -55.4 -41.8 23.6 17.8 6.2 40 39 A K H X S+ 0 0 128 -4,-1.2 4,-3.2 -5,-0.2 5,-0.2 0.949 112.0 48.9 -74.5 -47.9 23.7 15.4 9.1 41 40 A I H X S+ 0 0 13 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.929 114.1 48.7 -54.0 -46.3 27.4 14.4 8.6 42 41 A F H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.901 111.4 48.2 -59.5 -47.0 28.3 18.1 8.4 43 42 A T H X S+ 0 0 80 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 112.4 50.0 -55.6 -49.8 26.3 18.9 11.5 44 43 A D H X S+ 0 0 46 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.927 110.1 49.9 -55.7 -48.0 28.0 16.0 13.3 45 44 A Y H X S+ 0 0 5 -4,-3.0 4,-0.5 1,-0.2 3,-0.3 0.867 108.3 52.7 -60.1 -45.0 31.4 17.3 12.1 46 45 A L H >< S+ 0 0 89 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.831 108.3 52.2 -48.4 -42.8 30.5 20.8 13.5 47 46 A A H >< S+ 0 0 38 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.727 98.6 63.4 -73.9 -23.2 29.7 19.1 16.8 48 47 A F H >X S+ 0 0 2 -4,-1.2 3,-1.0 -3,-0.3 4,-0.7 0.704 86.0 78.1 -71.2 -19.1 33.1 17.3 16.8 49 48 A Q G X< S+ 0 0 22 -3,-0.6 3,-0.7 -4,-0.5 4,-0.5 0.839 85.7 56.8 -60.0 -35.1 34.5 20.9 17.0 50 49 A E G <> S+ 0 0 121 -3,-0.7 4,-1.7 -4,-0.4 3,-0.3 0.765 102.4 59.0 -66.9 -22.1 33.7 21.1 20.7 51 50 A E G <4 S+ 0 0 69 -3,-1.0 4,-0.3 -4,-0.3 -1,-0.2 0.687 96.2 58.2 -78.6 -21.2 35.9 17.9 21.1 52 51 A I T << S+ 0 0 1 -4,-0.7 336,-0.2 -3,-0.7 -1,-0.2 0.588 105.6 53.0 -84.6 -8.5 39.0 19.6 19.7 53 52 A Q T >4 S+ 0 0 74 -4,-0.5 3,-1.5 -3,-0.3 -2,-0.2 0.935 102.0 54.9 -77.9 -62.3 38.5 22.0 22.6 54 53 A K T 3< S+ 0 0 160 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.622 82.2 94.2 -34.7 -22.7 38.4 19.2 25.1 55 54 A L T 3 0 0 13 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.403 360.0 360.0 -64.4 3.8 41.8 18.3 23.5 56 55 A A < 0 0 111 -3,-1.5 -1,-0.2 223,-0.1 -2,-0.1 1.000 360.0 360.0 -45.7 360.0 43.2 20.4 26.4 57 ! 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 58 60 A X 0 0 62 0, 0.0 2,-0.3 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 136.7 50.1 12.1 25.2 59 61 A P - 0 0 1 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.499 360.0-139.8 -62.3 121.6 48.4 11.0 21.9 60 62 A D > - 0 0 58 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.782 16.4-170.7 -86.3 107.1 44.6 10.7 22.4 61 63 A A H > S+ 0 0 2 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.774 82.2 55.9 -70.8 -30.7 43.7 7.6 20.5 62 64 A S H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 109.0 47.2 -70.7 -46.1 40.0 8.2 20.8 63 65 A F H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.864 110.0 51.3 -60.8 -41.6 40.3 11.5 19.2 64 66 A Q H X S+ 0 0 6 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.977 112.5 47.4 -65.6 -44.8 42.5 10.3 16.4 65 67 A A H X S+ 0 0 42 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.872 113.8 46.2 -59.2 -46.9 40.0 7.5 15.5 66 68 A K H X S+ 0 0 91 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.905 116.9 44.6 -62.4 -45.6 37.0 9.9 15.6 67 69 A X H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.960 112.2 50.5 -65.9 -49.8 38.7 12.4 13.5 68 70 A E H X S+ 0 0 34 -4,-3.5 4,-1.7 -5,-0.2 -1,-0.2 0.857 109.9 56.2 -48.8 -37.4 40.1 9.8 11.1 69 71 A G H X S+ 0 0 33 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.893 104.9 46.8 -67.9 -46.9 36.4 8.6 10.9 70 72 A F H X S+ 0 0 28 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.767 108.0 59.4 -62.2 -29.3 34.9 11.9 9.9 71 73 A G H X S+ 0 0 3 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.940 107.9 43.8 -66.5 -46.9 37.6 12.3 7.3 72 74 A K H X S+ 0 0 131 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.879 110.9 54.0 -65.2 -42.6 36.5 9.0 5.6 73 75 A Q H < S+ 0 0 85 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.840 112.1 48.0 -55.0 -35.0 32.8 10.0 5.9 74 76 A I H >< S+ 0 0 1 -4,-1.6 3,-1.4 2,-0.2 7,-0.6 0.952 111.4 46.3 -74.9 -50.6 33.9 13.2 4.1 75 77 A Q H 3< S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.762 111.0 55.6 -62.8 -25.2 35.9 11.5 1.3 76 78 A G T 3< S+ 0 0 71 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.597 98.9 69.0 -82.2 -11.6 33.0 9.1 0.9 77 79 A N <> - 0 0 15 -3,-1.4 4,-2.8 -4,-0.4 5,-0.2 -0.949 67.9-156.6-113.1 119.5 30.4 11.9 0.3 78 80 A S H > S+ 0 0 100 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.855 93.7 50.8 -65.2 -40.2 30.8 13.8 -2.9 79 81 A L H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 114.3 45.9 -63.4 -41.5 29.0 16.9 -1.7 80 82 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.925 112.5 47.7 -68.1 -47.0 31.2 17.0 1.4 81 83 A S H X S+ 0 0 26 -4,-2.8 4,-1.4 -7,-0.6 -2,-0.2 0.815 111.8 52.7 -67.4 -27.1 34.5 16.4 -0.5 82 84 A E H X S+ 0 0 86 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.883 108.9 49.8 -69.5 -42.7 33.4 19.1 -3.0 83 85 A F H X S+ 0 0 10 -4,-1.8 4,-3.4 -55,-0.2 5,-0.2 0.974 112.8 44.4 -59.8 -54.5 32.8 21.6 -0.2 84 86 A F H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 312,-0.5 0.841 113.7 49.8 -60.2 -38.5 36.1 21.1 1.6 85 87 A T H X S+ 0 0 60 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.895 116.4 42.0 -64.7 -44.1 38.2 21.2 -1.6 86 88 A K H X S+ 0 0 51 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 110.6 56.0 -72.1 -43.8 36.5 24.4 -2.8 87 89 A Q H X S+ 0 0 62 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.860 107.2 51.4 -55.4 -39.2 36.7 25.9 0.6 88 90 A Q H X S+ 0 0 64 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.937 107.3 51.4 -65.3 -48.1 40.4 25.4 0.6 89 91 A Q H X S+ 0 0 87 -4,-1.7 4,-0.9 1,-0.2 3,-0.2 0.887 113.4 45.9 -52.6 -43.7 40.9 27.0 -2.8 90 92 A L H >X S+ 0 0 11 -4,-2.1 4,-2.8 -69,-0.2 3,-0.6 0.909 105.3 60.4 -62.6 -47.5 39.0 30.1 -1.5 91 93 A A H 3X S+ 0 0 43 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.761 101.7 54.2 -54.9 -32.3 41.0 30.1 1.8 92 94 A I H 3X S+ 0 0 101 -4,-1.4 4,-1.5 -3,-0.2 -1,-0.3 0.838 110.7 45.3 -71.0 -41.9 44.2 30.7 -0.2 93 95 A Y H < S+ 0 0 36 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.939 114.2 48.2 -60.7 -54.0 47.7 42.9 1.4 101 103 A V H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 120.2 36.2 -60.1 -34.3 45.0 44.7 3.5 102 104 A F H >X S+ 0 0 35 -4,-2.1 4,-2.7 -5,-0.2 3,-1.0 0.297 78.4 108.0-113.3 9.6 46.8 44.4 6.8 103 105 A E H < S+ 0 0 70 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.822 100.1 59.2 -40.7 -39.9 52.1 44.0 10.3 107 109 A E T 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.730 95.9 62.4 -68.9 -23.9 54.5 46.9 10.2 108 110 A L T < 0 0 5 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.550 360.0 360.0 -74.4 -11.6 53.3 48.0 13.6 109 111 A L < 0 0 97 -3,-1.6 -2,-0.1 -4,-0.4 -3,-0.1 0.618 360.0 360.0-103.4 360.0 54.5 44.6 15.2 110 !* 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 0.0 111 0 B G > 0 0 66 0, 0.0 4,-1.1 0, 0.0 239,-0.1 0.000 360.0 360.0 360.0 -71.6 42.6 -3.2 41.5 112 1 B X H > + 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.850 360.0 58.4 -69.1 -42.1 40.2 -0.9 39.7 113 2 B S H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.799 100.1 57.1 -52.8 -37.9 38.5 -0.6 43.2 114 3 B N H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.941 105.3 49.6 -61.3 -51.7 41.8 0.7 44.5 115 4 B I H X S+ 0 0 0 -4,-1.1 4,-2.1 232,-0.2 -2,-0.2 0.926 116.8 40.5 -50.9 -49.0 41.9 3.5 41.9 116 5 B Y H X S+ 0 0 75 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.851 113.0 53.9 -76.2 -33.9 38.2 4.6 42.7 117 6 B D H X S+ 0 0 104 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.926 114.9 41.2 -58.1 -48.3 38.6 4.1 46.5 118 7 B S H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.814 112.9 53.0 -75.0 -36.9 41.7 6.4 46.5 119 8 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.899 111.1 48.6 -61.9 -42.5 40.2 8.9 44.1 120 9 B N H X S+ 0 0 61 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.903 113.5 44.0 -63.9 -43.1 37.1 9.1 46.4 121 10 B E H X S+ 0 0 87 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.861 111.7 53.7 -74.6 -32.6 39.1 9.7 49.6 122 11 B L H X S+ 0 0 0 -4,-2.2 4,-1.6 218,-0.2 -2,-0.2 0.951 111.8 47.6 -60.0 -45.3 41.4 12.1 47.9 123 12 B S H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 3,-0.5 0.962 111.7 47.2 -57.6 -55.8 38.2 13.9 46.9 124 13 B R H X S+ 0 0 156 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.943 109.9 55.1 -52.4 -49.9 36.6 13.9 50.3 125 14 B G H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 108.8 47.4 -49.6 -40.8 39.9 15.1 51.9 126 15 B L H >< S+ 0 0 10 -4,-1.6 3,-0.9 -3,-0.5 6,-0.3 0.786 108.1 53.9 -75.0 -35.2 40.0 18.1 49.6 127 16 B R H 3< S+ 0 0 119 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.712 104.7 58.1 -72.1 -19.7 36.4 19.0 50.2 128 17 B G T 3< S+ 0 0 42 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.516 81.6 111.3 -84.0 -7.8 37.3 19.0 53.9 129 18 B L S X> S- 0 0 12 -3,-0.9 4,-2.3 1,-0.1 3,-1.4 -0.508 75.7-129.6 -73.2 136.7 40.0 21.6 53.4 130 19 B P H 3> S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.813 111.5 57.9 -50.0 -31.6 39.2 25.0 55.0 131 20 B E H 3> S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 72,-0.2 0.780 106.8 45.7 -69.6 -34.8 40.1 26.5 51.6 132 21 B Y H <> S+ 0 0 36 -3,-1.4 4,-2.2 -6,-0.3 5,-0.3 0.943 113.8 48.9 -69.9 -55.4 37.4 24.4 49.9 133 22 B K H X S+ 0 0 127 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 112.0 50.6 -46.4 -46.4 34.8 25.2 52.6 134 23 B A H X S+ 0 0 24 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.920 109.9 47.4 -65.8 -43.9 35.7 28.9 52.2 135 24 B V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.885 114.1 48.0 -62.5 -43.8 35.4 29.1 48.4 136 25 B K H X S+ 0 0 141 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 113.3 46.3 -64.3 -46.8 32.0 27.3 48.4 137 26 B A H X S+ 0 0 61 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.929 111.8 53.2 -63.1 -42.8 30.7 29.5 51.2 138 27 B A H X S+ 0 0 9 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.874 106.8 51.4 -56.8 -41.2 32.0 32.5 49.3 139 28 B K H X S+ 0 0 73 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.911 109.9 50.3 -63.8 -40.5 30.1 31.4 46.1 140 29 B D H X S+ 0 0 103 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.893 109.2 51.0 -65.0 -39.1 26.9 31.1 48.1 141 30 B A H < S+ 0 0 38 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.840 108.2 52.0 -69.3 -35.1 27.5 34.6 49.5 142 31 B I H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 7,-0.6 0.981 109.6 50.4 -59.9 -52.6 28.0 36.1 46.0 143 32 B A H 3< S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.821 109.7 50.2 -54.5 -35.0 24.7 34.4 44.9 144 33 B A T 3< S+ 0 0 91 -4,-1.5 2,-0.6 -5,-0.1 -1,-0.3 0.567 100.5 78.0 -78.3 -10.5 22.8 35.9 47.9 145 34 B D <> - 0 0 57 -3,-1.7 4,-2.8 -4,-0.5 5,-0.2 -0.914 66.4-156.3-110.6 118.3 24.2 39.4 47.1 146 35 B A H > S+ 0 0 89 -2,-0.6 4,-2.0 2,-0.2 5,-0.2 0.927 95.3 43.6 -53.1 -53.3 22.6 41.4 44.3 147 36 B E H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.967 117.2 42.7 -63.7 -55.8 25.7 43.5 43.8 148 37 B A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 114.3 53.9 -50.1 -47.0 28.3 40.8 43.9 149 38 B S H X S+ 0 0 38 -4,-2.8 4,-2.2 -7,-0.6 -1,-0.2 0.860 105.6 51.2 -63.2 -38.2 26.1 38.5 41.8 150 39 B K H X S+ 0 0 131 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.911 111.5 46.4 -68.5 -42.3 25.7 41.0 39.0 151 40 B I H X S+ 0 0 10 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.884 112.6 52.0 -65.6 -38.5 29.5 41.6 38.6 152 41 B F H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 109.8 48.4 -62.6 -45.8 30.1 37.8 38.8 153 42 B T H X S+ 0 0 76 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.855 113.2 48.1 -63.0 -41.8 27.5 37.2 36.0 154 43 B D H X S+ 0 0 51 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.867 110.8 49.5 -68.2 -38.8 29.1 39.9 33.9 155 44 B Y H X S+ 0 0 4 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.929 110.8 51.4 -64.0 -46.0 32.6 38.7 34.4 156 45 B L H >< S+ 0 0 58 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.907 111.3 47.0 -46.7 -51.7 31.4 35.2 33.4 157 46 B A H >< S+ 0 0 61 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.772 105.2 61.0 -65.8 -27.0 29.8 36.8 30.2 158 47 B F H >X S+ 0 0 8 -4,-1.8 4,-0.8 1,-0.2 3,-0.7 0.716 82.4 85.2 -71.5 -20.4 33.2 38.6 29.6 159 48 B Q H XX S+ 0 0 15 -4,-0.8 3,-0.9 -3,-0.8 4,-0.7 0.846 84.7 54.8 -51.5 -35.1 34.8 35.2 29.3 160 49 B E H X> S+ 0 0 106 -3,-0.9 4,-2.1 -4,-0.3 3,-0.8 0.852 95.7 64.0 -75.8 -29.8 33.9 35.0 25.7 161 50 B E H <> S+ 0 0 84 -3,-0.7 4,-1.7 -4,-0.4 -1,-0.3 0.716 98.1 59.3 -55.4 -22.2 35.5 38.3 24.9 162 51 B I H X S+ 0 0 108 -4,-2.1 4,-2.1 1,-0.2 3,-1.6 0.977 99.4 62.0 -45.1 -61.0 37.6 36.7 20.6 165 54 B L H 3< S+ 0 0 1 -4,-1.7 2,-1.0 1,-0.3 -1,-0.2 0.860 93.5 65.9 -31.0 -56.8 41.0 38.0 21.6 166 55 B A T 3< S+ 0 0 4 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 -0.216 109.9 32.4 -90.6 45.8 42.7 34.8 20.3 167 56 B Q T <4 S+ 0 0 110 -3,-1.6 2,-0.9 -2,-1.0 -1,-0.3 -0.010 125.3 44.5-123.5 -30.4 41.8 35.3 16.9 168 57 B T S < S+ 0 0 80 -4,-2.1 -2,-0.1 1,-0.1 -4,-0.0 -0.550 90.8 96.8-103.9 67.6 42.0 39.1 16.9 169 58 B G + 0 0 8 -2,-0.9 -1,-0.1 3,-0.0 106,-0.1 -0.442 25.3 111.3-163.6 70.5 45.2 39.6 18.9 170 59 B Q S S+ 0 0 131 1,-0.2 102,-0.1 2,-0.1 -2,-0.1 0.648 87.6 45.2-102.0 -43.4 48.6 40.2 17.2 171 60 B X S S- 0 0 14 1,-0.1 -1,-0.2 141,-0.0 2,-0.1 -0.700 112.1 -84.1 -91.4 151.8 48.8 43.8 18.4 172 61 B P - 0 0 1 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.425 42.2-133.2 -60.6 129.6 47.9 44.7 22.0 173 62 B D > - 0 0 33 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.781 21.5-173.1 -92.0 101.3 44.1 45.1 22.3 174 63 B A H > S+ 0 0 1 -2,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.782 81.5 53.2 -70.1 -31.0 43.5 48.3 24.2 175 64 B S H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 111.4 46.9 -65.9 -49.7 39.7 47.9 24.6 176 65 B F H > S+ 0 0 3 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.874 110.4 52.9 -56.7 -44.5 40.2 44.5 26.0 177 66 B Q H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.954 112.4 43.8 -57.9 -51.1 42.9 45.8 28.4 178 67 B A H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.889 115.5 48.9 -62.7 -42.1 40.7 48.6 29.8 179 68 B K H X S+ 0 0 112 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.943 114.0 43.8 -69.9 -48.2 37.6 46.3 30.0 180 69 B X H X S+ 0 0 2 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.950 114.3 50.7 -60.1 -48.8 39.5 43.5 31.8 181 70 B E H X S+ 0 0 15 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.836 108.3 54.1 -52.5 -36.8 41.2 46.0 34.1 182 71 B G H X S+ 0 0 32 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.956 108.6 46.9 -64.3 -52.6 37.8 47.6 34.9 183 72 B F H X S+ 0 0 17 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.825 108.7 58.0 -55.2 -35.8 36.3 44.2 36.0 184 73 B G H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 105.4 48.1 -60.9 -44.2 39.4 43.7 38.1 185 74 B K H X S+ 0 0 112 -4,-1.7 4,-1.6 -3,-0.3 -1,-0.2 0.830 108.4 54.2 -73.0 -35.6 38.9 46.8 40.0 186 75 B Q H < S+ 0 0 92 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.875 109.8 48.6 -58.5 -39.0 35.3 45.9 40.6 187 76 B I H >< S+ 0 0 1 -4,-1.7 3,-1.7 1,-0.2 7,-0.6 0.953 110.1 50.3 -70.0 -46.8 36.4 42.6 42.0 188 77 B Q H 3< S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.7 51.8 -60.0 -32.5 39.0 44.1 44.3 189 78 B G T 3< S+ 0 0 69 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.400 98.0 74.9 -86.8 3.2 36.5 46.6 45.7 190 79 B N <> - 0 0 14 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.983 66.6-156.6-119.8 118.3 33.9 43.9 46.5 191 80 B S H > S+ 0 0 99 -2,-0.5 4,-1.9 1,-0.2 5,-0.1 0.786 92.6 52.4 -63.3 -35.1 34.7 41.8 49.6 192 81 B L H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 113.6 43.9 -70.0 -39.5 32.6 38.9 48.5 193 82 B L H > S+ 0 0 1 2,-0.2 4,-2.2 -6,-0.2 5,-0.2 0.903 113.1 47.7 -76.5 -41.9 34.3 38.7 45.1 194 83 B S H X S+ 0 0 23 -4,-2.7 4,-2.4 -7,-0.6 5,-0.3 0.965 110.4 54.6 -69.5 -38.1 37.8 39.1 46.2 195 84 B E H X S+ 0 0 69 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.921 109.2 48.6 -49.4 -52.4 37.2 36.5 49.0 196 85 B F H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.913 114.5 43.4 -53.4 -52.0 36.0 34.0 46.3 197 86 B F H X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 89,-0.6 0.789 114.8 48.0 -70.1 -30.8 38.9 34.5 43.9 198 87 B T H X S+ 0 0 65 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 115.1 44.9 -80.1 -36.6 41.6 34.5 46.6 199 88 B K H X S+ 0 0 60 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.887 112.7 53.0 -66.9 -35.8 40.3 31.3 48.2 200 89 B Q H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.902 109.3 49.6 -64.8 -39.7 39.9 29.8 44.8 201 90 B Q H X S+ 0 0 32 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.908 107.5 52.4 -66.9 -43.3 43.5 30.6 44.0 202 91 B Q H X S+ 0 0 72 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.7 47.6 -59.8 -38.4 44.8 29.1 47.2 203 92 B L H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.885 109.0 52.1 -69.2 -41.7 42.9 25.9 46.5 204 93 B A H X S+ 0 0 30 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.789 106.8 55.5 -70.6 -25.5 44.2 25.7 42.9 205 94 B I H X S+ 0 0 72 -4,-1.9 4,-1.0 2,-0.2 3,-0.5 0.961 111.2 43.1 -65.9 -47.0 47.7 26.1 44.2 206 95 B Y H >X S+ 0 0 51 -4,-1.8 4,-1.4 1,-0.3 3,-0.7 0.916 111.6 53.3 -69.4 -41.4 47.3 23.1 46.5 207 96 B L H 3X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.762 100.8 63.1 -61.1 -26.1 45.5 21.0 43.9 208 97 B S H 3X S+ 0 0 62 -4,-1.0 4,-1.3 -3,-0.5 -1,-0.2 0.839 103.2 46.7 -72.1 -33.5 48.4 21.6 41.5 209 98 B D H < S+ 0 0 30 -4,-1.3 3,-1.0 -3,-0.3 -2,-0.2 0.959 116.3 47.9 -66.1 -54.7 51.8 13.3 42.5 214 103 B V H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.906 118.9 37.6 -59.3 -43.8 48.7 11.7 41.0 215 104 B F T >X S+ 0 0 27 -4,-2.9 4,-2.2 -5,-0.2 3,-0.9 0.364 81.5 104.8 -97.8 7.8 49.8 12.0 37.4 216 105 B E H <> S+ 0 0 90 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.892 79.0 57.1 -50.0 -46.1 53.5 11.2 37.8 217 106 B P H 34 S+ 0 0 1 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.819 107.3 49.7 -56.5 -29.8 53.0 7.7 36.4 218 107 B V H X> S+ 0 0 19 -3,-0.9 3,-2.0 2,-0.2 4,-0.9 0.945 107.2 52.5 -72.9 -48.1 51.6 9.5 33.3 219 108 B S H >X S+ 0 0 54 -4,-2.2 4,-1.4 1,-0.3 3,-0.8 0.891 100.8 62.7 -46.2 -44.1 54.6 11.8 33.0 220 109 B E H 3< S+ 0 0 77 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.834 103.7 49.7 -54.9 -27.7 56.7 8.7 33.1 221 110 B L H <4 S+ 0 0 2 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.639 99.8 61.7 -85.8 -21.4 54.8 7.7 29.8 222 111 B L H << 0 0 102 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.828 360.0 360.0 -71.1 -32.5 55.5 11.0 27.9 223 112 B K < 0 0 216 -4,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.692 360.0 360.0 -68.2 360.0 59.3 10.3 28.2 224 !* 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 0.0 225 2 C S 0 0 112 0, 0.0 5,-0.1 0, 0.0 -210,-0.1 0.000 360.0 360.0 360.0 58.7 37.2 46.7 -10.0 226 3 C N > - 0 0 78 1,-0.1 4,-1.8 3,-0.1 5,-0.2 0.054 360.0-111.2 -66.4 167.7 39.3 43.6 -9.2 227 4 C I H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.791 111.6 50.9 -64.2 -37.6 40.2 42.3 -5.8 228 5 C Y H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.3 48.3 -70.5 -40.1 44.0 43.0 -5.7 229 6 C D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.838 113.6 46.0 -64.3 -45.4 43.4 46.6 -6.7 230 7 C S H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.849 112.8 50.8 -63.7 -38.9 40.7 47.1 -4.1 231 8 C A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.848 113.4 44.5 -73.5 -34.6 42.9 45.4 -1.5 232 9 C N H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 113.2 50.3 -72.5 -43.0 45.8 47.6 -2.3 233 10 C E H X S+ 0 0 77 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.903 110.9 52.2 -57.4 -40.1 43.7 50.7 -2.4 234 11 C L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.940 108.4 47.6 -68.9 -46.4 42.3 49.7 0.9 235 12 C S H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.847 109.7 53.9 -64.7 -36.9 45.7 49.3 2.6 236 13 C R H X S+ 0 0 153 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.804 106.1 53.7 -61.7 -34.7 46.9 52.6 1.3 237 14 C G H X S+ 0 0 15 -4,-1.6 4,-1.0 -3,-0.3 -2,-0.2 0.901 106.3 52.5 -63.3 -43.7 43.8 54.2 2.9 238 15 C L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 6,-0.3 0.945 106.0 52.5 -53.0 -51.0 44.8 52.7 6.1 239 16 C R H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.6 52.5 -54.7 -33.0 48.2 54.2 5.8 240 17 C G H 3< S+ 0 0 36 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.639 82.1 107.5 -80.3 -19.2 46.5 57.5 5.3 241 18 C L S+ 0 0 84 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.851 105.8 60.5 -54.7 -34.2 45.4 59.9 11.0 243 20 C E H > S+ 0 0 47 2,-0.2 4,-1.1 1,-0.2 72,-0.2 0.870 107.1 43.9 -60.8 -40.2 44.5 57.1 13.4 244 21 C Y H >> S+ 0 0 11 -3,-0.4 4,-2.7 -6,-0.3 3,-0.7 0.960 112.6 50.8 -64.5 -53.5 47.0 54.9 11.8 245 22 C K H 3X S+ 0 0 128 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.895 109.3 52.0 -55.4 -39.1 49.6 57.6 11.6 246 23 C A H 3X S+ 0 0 28 -4,-2.6 4,-1.4 1,-0.2 -1,-0.3 0.804 110.3 48.5 -69.9 -30.7 49.2 58.3 15.3 247 24 C V H < S+ 0 0 42 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.936 111.8 48.0 -53.4 -48.1 58.5 56.2 20.2 254 31 C I H >< S+ 0 0 1 -4,-1.6 3,-1.9 1,-0.2 7,-0.3 0.897 105.1 59.6 -56.9 -43.5 58.0 53.1 22.3 255 32 C A H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.0 53.5 -55.1 -31.6 60.6 51.2 20.2 256 33 C A T << S+ 0 0 94 -4,-1.4 2,-0.4 -3,-0.8 -1,-0.3 0.247 98.4 72.2 -92.1 10.9 63.2 53.8 21.2 257 34 C D <> - 0 0 53 -3,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.959 61.1-159.6-134.7 113.2 62.8 53.5 25.0 258 35 C A H > S+ 0 0 85 -2,-0.4 4,-2.0 2,-0.2 5,-0.2 0.835 95.2 54.9 -56.7 -43.4 64.0 50.3 26.9 259 36 C E H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.984 115.3 36.0 -48.4 -66.9 61.6 51.1 29.7 260 37 C A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.807 115.1 57.9 -61.7 -35.5 58.5 51.2 27.6 261 38 C S H X S+ 0 0 30 -4,-2.7 4,-3.2 -7,-0.3 -1,-0.2 0.866 104.4 48.0 -68.3 -42.3 59.7 48.4 25.2 262 39 C K H X S+ 0 0 132 -4,-2.0 4,-3.2 -3,-0.3 5,-0.2 0.936 112.7 48.6 -67.6 -45.1 60.1 45.7 27.8 263 40 C I H X S+ 0 0 21 -4,-1.6 4,-3.6 -5,-0.2 -2,-0.2 0.940 113.3 49.4 -55.7 -46.3 56.7 46.5 29.3 264 41 C F H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.971 112.5 46.1 -55.2 -56.0 55.3 46.3 25.8 265 42 C T H X S+ 0 0 86 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.913 116.6 46.0 -52.9 -45.4 57.0 43.0 25.1 266 43 C D H X S+ 0 0 55 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.903 109.2 53.8 -65.2 -43.5 55.8 41.7 28.5 267 44 C Y H X S+ 0 0 2 -4,-3.6 4,-1.9 -5,-0.2 -2,-0.2 0.956 109.8 48.2 -55.8 -51.1 52.3 42.9 28.0 268 45 C L H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.839 108.2 53.4 -57.2 -40.3 52.1 41.1 24.6 269 46 C A H X S+ 0 0 39 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.899 110.6 49.6 -61.4 -39.1 53.5 37.9 26.2 270 47 C F H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.790 105.6 55.0 -68.3 -35.8 50.6 38.3 28.7 271 48 C Q H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.957 107.1 51.2 -60.3 -51.2 48.0 38.8 26.0 272 49 C E H X S+ 0 0 132 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 109.2 51.5 -48.1 -49.3 49.2 35.5 24.6 273 50 C E H X S+ 0 0 73 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.920 110.4 47.0 -56.1 -50.1 48.7 34.0 28.1 274 51 C I H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.897 111.2 53.5 -54.8 -44.2 45.2 35.3 28.3 275 52 C Q H X S+ 0 0 20 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.915 113.2 41.2 -60.2 -42.8 44.5 34.0 24.8 276 53 C K H >< S+ 0 0 153 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.926 114.9 50.3 -75.6 -46.4 45.7 30.4 25.7 277 54 C L H >< S+ 0 0 30 -4,-3.0 3,-1.8 1,-0.2 5,-0.5 0.918 100.5 73.1 -45.3 -49.9 43.9 30.5 29.2 278 55 C A H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.778 84.2 60.2 -30.0 -57.7 40.8 31.6 27.2 279 56 C Q T << S+ 0 0 33 -4,-0.8 -1,-0.3 -3,-0.6 -223,-0.1 0.304 88.6 74.1 -72.2 6.5 39.9 28.3 25.6 280 57 C T T < S- 0 0 56 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.505 103.2-121.9 -92.9 -12.0 39.4 26.6 28.8 281 58 C G < + 0 0 27 -3,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.347 68.1 132.7 83.1 -7.5 36.2 28.2 29.5 282 59 C Q - 0 0 33 -5,-0.5 -1,-0.2 1,-0.1 163,-0.2 -0.247 60.1-117.1 -75.7 159.8 37.5 29.7 32.8 283 60 C X - 0 0 3 161,-1.0 2,-0.1 -3,-0.1 -1,-0.1 -0.721 48.3 -93.5 -77.0 143.6 37.4 33.1 34.3 284 61 C P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 -0.465 50.7-126.6 -50.9 128.7 40.9 34.6 34.8 285 62 C D > - 0 0 34 -2,-0.1 4,-2.8 1,-0.1 3,-0.4 -0.100 29.1 -86.2 -78.1 178.3 42.0 33.7 38.4 286 63 C A H > S+ 0 0 21 -89,-0.6 4,-2.0 1,-0.2 5,-0.1 0.843 129.3 52.2 -51.4 -37.4 43.1 36.0 41.2 287 64 C S H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 111.4 43.4 -72.3 -39.8 46.7 35.8 39.8 288 65 C F H > S+ 0 0 37 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.858 112.8 53.4 -72.2 -38.5 45.8 36.7 36.2 289 66 C Q H X S+ 0 0 8 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.882 110.7 47.6 -62.4 -39.9 43.5 39.5 37.5 290 67 C A H X S+ 0 0 61 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.845 109.1 52.7 -71.7 -35.3 46.5 40.8 39.5 291 68 C K H X S+ 0 0 91 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.957 111.1 47.8 -61.0 -47.7 48.9 40.5 36.5 292 69 C X H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.851 110.7 52.0 -56.0 -42.7 46.3 42.6 34.5 293 70 C E H X S+ 0 0 38 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.848 107.8 51.3 -64.1 -40.0 46.1 45.0 37.3 294 71 C G H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 111.4 47.1 -60.6 -46.0 49.9 45.4 37.4 295 72 C F H X S+ 0 0 23 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.879 107.9 56.4 -66.3 -40.9 50.0 46.1 33.7 296 73 C G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.938 108.4 47.0 -52.8 -51.2 47.2 48.6 34.0 297 74 C K H X S+ 0 0 141 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.890 112.4 50.6 -59.3 -40.8 49.2 50.5 36.6 298 75 C Q H X S+ 0 0 84 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.932 111.6 46.2 -65.7 -48.2 52.3 50.4 34.4 299 76 C I H < S+ 0 0 1 -4,-2.9 7,-0.4 2,-0.2 3,-0.4 0.885 115.8 46.4 -57.3 -44.1 50.5 51.7 31.2 300 77 C Q H < S+ 0 0 132 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.823 115.0 47.4 -73.2 -27.0 48.8 54.5 33.2 301 78 C G H < S+ 0 0 71 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.533 104.1 70.8 -89.9 -10.2 52.1 55.3 34.9 302 79 C N X - 0 0 17 -4,-0.9 4,-2.2 -3,-0.4 3,-0.2 -0.964 66.8-156.1-116.3 126.5 54.1 55.3 31.6 303 80 C S H > S+ 0 0 99 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.761 91.9 50.9 -69.1 -36.6 53.5 58.1 29.1 304 81 C L H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.795 113.9 46.2 -74.6 -30.8 54.5 56.4 25.9 305 82 C L H > S+ 0 0 0 2,-0.2 4,-2.9 -7,-0.2 5,-0.3 0.869 110.2 53.1 -75.8 -41.8 52.3 53.4 26.7 306 83 C S H X S+ 0 0 30 -4,-2.2 4,-1.9 -7,-0.4 5,-0.2 0.926 110.0 48.4 -57.9 -47.4 49.3 55.6 27.6 307 84 C E H X S+ 0 0 77 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.936 114.6 46.5 -60.3 -46.3 49.6 57.4 24.3 308 85 C F H X S+ 0 0 1 -4,-1.5 4,-2.5 -58,-0.2 -2,-0.2 0.905 111.6 48.0 -62.8 -47.1 49.8 54.1 22.4 309 86 C F H X S+ 0 0 9 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.853 114.7 47.8 -67.5 -33.8 46.9 52.3 24.2 310 87 C T H X S+ 0 0 70 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.919 114.4 44.1 -69.6 -47.2 44.7 55.4 23.6 311 88 C K H X S+ 0 0 68 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.845 109.5 58.7 -68.0 -29.2 45.6 55.8 20.0 312 89 C Q H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.872 99.1 57.4 -68.2 -38.1 45.2 52.0 19.5 313 90 C Q H X S+ 0 0 76 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.948 108.3 47.9 -55.5 -43.5 41.6 52.1 20.7 314 91 C Q H X S+ 0 0 99 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.805 113.9 44.1 -68.8 -37.9 40.8 54.6 17.9 315 92 C L H >X S+ 0 0 0 -4,-1.5 4,-2.1 -72,-0.2 3,-0.7 0.851 101.9 70.2 -72.5 -35.4 42.4 52.7 15.2 316 93 C A H 3X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.825 91.7 58.6 -52.8 -37.4 40.9 49.4 16.4 317 94 C I H 3X S+ 0 0 93 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.907 108.6 45.0 -60.4 -44.3 37.4 50.6 15.3 318 95 C Y H S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.7 0.961 111.0 47.6 -63.2 -48.8 37.4 46.2 7.7 323 100 C E H X>S+ 0 0 71 -4,-2.1 5,-1.7 3,-0.2 4,-1.4 0.961 117.0 44.7 -48.8 -53.7 37.3 42.7 9.1 324 101 C K H <5S+ 0 0 133 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 120.2 37.5 -58.3 -53.7 33.4 42.9 9.4 325 102 C I H <5S+ 0 0 57 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.856 128.0 28.7 -74.4 -39.0 32.7 44.5 6.1 326 103 C V H <5S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.930 126.1 25.8 -92.5 -50.2 35.3 42.6 3.9 327 104 C F T >< 0 0 72 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -71.2 45.5 17.0 57.4 334 1 D X H > + 0 0 71 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.604 360.0 66.2 -72.5 -17.7 47.2 18.1 54.3 335 2 D S H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 99.8 45.5 -64.2 -49.1 49.3 15.1 55.2 336 3 D N H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.744 108.6 56.5 -72.6 -25.8 46.5 12.7 54.6 337 4 D I H X S+ 0 0 5 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.950 109.1 47.4 -64.9 -51.4 45.6 14.3 51.3 338 5 D Y H X S+ 0 0 77 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.881 109.2 52.8 -54.7 -42.5 49.2 13.7 50.3 339 6 D D H X S+ 0 0 83 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.936 111.4 47.3 -57.3 -46.1 48.9 10.0 51.5 340 7 D S H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.844 111.1 50.6 -64.4 -39.3 45.8 9.6 49.3 341 8 D A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.867 112.5 47.3 -64.8 -40.8 47.5 11.3 46.3 342 9 D N H X S+ 0 0 62 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.903 111.8 49.8 -69.0 -39.7 50.4 8.9 46.7 343 10 D E H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.846 107.9 54.6 -64.1 -36.5 48.1 5.9 47.0 344 11 D L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.843 105.7 51.7 -67.8 -35.1 46.1 6.9 43.9 345 12 D S H X S+ 0 0 14 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.919 107.6 53.4 -69.0 -40.7 49.3 7.0 41.8 346 13 D R H X S+ 0 0 164 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.894 107.5 51.1 -54.7 -44.8 50.2 3.5 43.0 347 14 D G H X S+ 0 0 8 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.932 107.6 52.6 -61.0 -45.0 46.8 2.3 41.9 348 15 D L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 6,-0.3 0.928 109.2 49.0 -53.9 -49.3 47.3 3.8 38.5 349 16 D R H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.3 57.5 -63.8 -25.5 50.6 1.9 38.3 350 17 D G H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.578 81.1 109.4 -79.2 -10.8 48.8 -1.2 39.3 351 18 D L S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.803 105.8 57.6 -58.5 -31.9 46.9 -3.7 33.8 353 20 D E H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 72,-0.2 0.862 107.0 45.1 -62.9 -44.9 45.9 -1.0 31.4 354 21 D Y H >> S+ 0 0 10 -6,-0.3 4,-2.3 1,-0.2 3,-0.7 0.985 111.9 53.2 -61.3 -56.3 48.6 1.3 32.7 355 22 D K H 3X S+ 0 0 128 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.834 108.3 51.5 -44.5 -38.6 51.1 -1.7 32.5 356 23 D A H 3X S+ 0 0 26 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.857 108.9 47.3 -78.8 -32.5 50.0 -2.3 28.8 357 24 D V H < S+ 0 0 0 -4,-1.3 3,-0.7 2,-0.2 7,-0.5 0.892 107.1 51.0 -72.0 -44.0 58.2 2.4 20.5 365 32 D A H 3< S+ 0 0 64 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.892 105.0 57.5 -63.1 -39.7 61.3 4.0 22.0 366 33 D A H 3< S+ 0 0 93 -4,-2.7 2,-0.5 -5,-0.1 -1,-0.3 0.811 101.5 68.9 -52.5 -31.3 63.3 0.9 21.1 367 34 D D S+ 0 0 88 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.790 92.3 46.9 -71.8 -26.6 63.7 4.7 15.7 369 36 D E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.794 109.7 49.1 -86.5 -33.6 60.9 4.9 13.1 370 37 D A H > S+ 0 0 0 -6,-0.2 4,-3.2 2,-0.2 5,-0.2 0.872 110.1 55.7 -70.4 -36.6 57.9 4.5 15.3 371 38 D S H X S+ 0 0 35 -4,-1.7 4,-3.5 -7,-0.5 5,-0.2 0.899 107.3 48.7 -57.7 -44.4 59.5 7.2 17.5 372 39 D K H X S+ 0 0 121 -4,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.948 114.0 43.6 -67.2 -47.9 59.6 9.6 14.5 373 40 D I H X S+ 0 0 10 -4,-2.0 4,-3.9 2,-0.2 5,-0.2 0.957 116.8 48.8 -59.1 -48.8 56.0 9.0 13.5 374 41 D F H X S+ 0 0 12 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.941 113.3 45.9 -53.4 -54.1 55.0 9.3 17.2 375 42 D T H X S+ 0 0 78 -4,-3.5 4,-1.9 2,-0.2 -1,-0.2 0.930 115.5 47.8 -52.9 -46.9 57.0 12.5 17.6 376 43 D D H X S+ 0 0 57 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.929 109.7 51.9 -64.3 -47.8 55.5 13.7 14.3 377 44 D Y H X S+ 0 0 2 -4,-3.9 4,-2.2 1,-0.2 -1,-0.2 0.877 107.0 54.0 -50.7 -46.4 51.9 12.8 15.3 378 45 D L H X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.905 108.2 48.4 -59.1 -44.0 52.3 14.7 18.6 379 46 D A H X S+ 0 0 46 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.855 111.0 52.5 -64.9 -31.8 53.3 17.9 16.8 380 47 D F H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.850 106.3 53.3 -71.4 -34.6 50.3 17.3 14.5 381 48 D Q H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.902 107.5 49.5 -64.5 -43.7 48.0 17.0 17.5 382 49 D E H X S+ 0 0 106 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.817 108.7 54.4 -70.3 -29.2 49.2 20.3 19.0 383 50 D E H >X S+ 0 0 71 -4,-1.4 3,-0.7 2,-0.2 4,-0.6 0.926 108.2 49.9 -59.7 -48.9 48.6 21.8 15.5 384 51 D I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.878 109.2 51.2 -55.6 -43.1 45.0 20.5 15.7 385 52 D Q H 3< S+ 0 0 54 -4,-2.1 4,-0.2 1,-0.3 -1,-0.2 0.535 93.4 70.5 -85.3 -4.8 44.4 22.0 19.2 386 53 D K H X< S+ 0 0 120 -3,-0.7 3,-0.7 -4,-0.7 -1,-0.3 0.700 94.2 58.8 -70.1 -24.0 45.6 25.4 18.1 387 54 D L G XX>S+ 0 0 18 -3,-1.0 4,-1.8 -4,-0.6 3,-1.2 0.648 85.1 83.0 -72.0 -16.8 42.3 25.3 16.1 388 55 D A G 345S+ 0 0 2 1,-0.2 -1,-0.2 -336,-0.2 -2,-0.2 0.830 94.3 42.1 -52.1 -35.4 40.7 24.9 19.6 389 56 D Q G <45S+ 0 0 51 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.346 114.1 49.9-101.2 4.1 40.8 28.7 20.1 390 57 D T T <45S- 0 0 58 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.528 93.1-141.6-104.7 -17.6 39.7 29.6 16.5 391 58 D G T <5 + 0 0 53 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.772 53.7 139.8 59.8 26.5 36.6 27.3 16.6 392 59 D Q < - 0 0 93 -5,-0.7 -1,-0.2 -343,-0.1 -2,-0.2 -0.810 54.7-113.7-101.5 141.2 37.3 26.5 12.9 393 60 D X - 0 0 29 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.275 37.5 -95.7 -62.1 152.4 37.0 23.0 11.5 394 61 D P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 -0.658 49.3-143.0 -67.1 126.8 40.0 21.1 10.2 395 62 D D > - 0 0 43 -2,-0.4 4,-2.5 -3,-0.1 3,-0.5 -0.036 34.6 -74.1 -84.7-173.7 40.1 21.8 6.5 396 63 D A H > S+ 0 0 19 -312,-0.5 4,-2.5 1,-0.2 5,-0.1 0.803 130.8 53.6 -54.8 -31.2 41.1 19.5 3.6 397 64 D S H > S+ 0 0 36 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.889 111.2 43.3 -74.1 -38.4 44.8 19.8 4.5 398 65 D F H > S+ 0 0 27 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.902 116.2 49.3 -71.7 -42.3 44.4 18.7 8.1 399 66 D Q H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.917 111.5 48.6 -60.2 -45.8 42.0 16.0 7.0 400 67 D A H X S+ 0 0 66 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 112.1 49.8 -59.6 -45.2 44.5 14.8 4.4 401 68 D K H X S+ 0 0 74 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.882 110.3 49.1 -59.0 -43.1 47.2 14.9 7.1 402 69 D X H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.808 106.0 56.4 -71.0 -33.8 45.2 12.8 9.5 403 70 D E H X S+ 0 0 47 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.954 110.1 47.4 -58.8 -48.3 44.4 10.3 6.8 404 71 D G H >X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.932 111.4 47.7 -55.8 -53.5 48.2 9.9 6.4 405 72 D F H 3X S+ 0 0 25 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.8 54.0 -59.3 -40.3 48.9 9.6 10.1 406 73 D G H 3X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.770 108.2 48.0 -61.8 -33.0 46.0 7.0 10.4 407 74 D K H < S+ 0 0 1 -4,-2.2 3,-1.1 -5,-0.2 7,-0.5 0.916 113.2 46.1 -68.2 -45.3 49.3 4.1 12.7 410 77 D Q H 3< S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.878 114.9 46.6 -72.2 -35.0 47.4 1.1 11.3 411 78 D G T 3< S+ 0 0 75 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.3 0.255 102.7 70.6 -89.5 11.0 50.3 -0.3 9.3 412 79 D N <> - 0 0 23 -3,-1.1 4,-3.0 1,-0.1 3,-0.2 -0.946 66.6-162.4-128.4 112.0 52.8 0.0 12.2 413 80 D S H > S+ 0 0 89 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.724 88.5 56.7 -77.9 -19.9 52.0 -2.5 14.9 414 81 D L H > S+ 0 0 50 2,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.911 114.7 41.5 -65.8 -45.2 54.0 -0.7 17.6 415 82 D L H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.904 116.2 47.8 -66.8 -44.4 51.9 2.3 16.9 416 83 D S H X S+ 0 0 32 -4,-3.0 4,-2.1 -7,-0.5 5,-0.3 0.923 110.5 52.0 -71.1 -37.9 48.7 0.4 16.6 417 84 D E H X S+ 0 0 92 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.9 46.0 -60.8 -38.9 49.4 -1.5 19.8 418 85 D F H X S+ 0 0 0 -4,-1.7 4,-2.9 -58,-0.2 5,-0.2 0.936 112.1 49.7 -69.0 -44.6 50.0 1.8 21.7 419 86 D F H X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.2 -358,-0.2 0.911 112.5 46.6 -62.7 -44.5 46.9 3.6 20.3 420 87 D T H X S+ 0 0 79 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.874 116.9 44.7 -61.2 -40.5 44.5 0.7 21.1 421 88 D K H X S+ 0 0 54 -4,-1.7 4,-1.5 -5,-0.3 -64,-0.2 0.841 107.5 55.9 -80.4 -34.1 46.0 0.4 24.6 422 89 D Q H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.892 101.8 59.8 -63.8 -34.0 46.1 4.1 25.4 423 90 D Q H X S+ 0 0 75 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.929 105.4 48.1 -56.8 -45.5 42.3 4.2 24.7 424 91 D Q H X S+ 0 0 88 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.857 115.0 44.6 -65.9 -36.2 41.7 1.7 27.4 425 92 D L H >X S+ 0 0 0 -4,-1.5 4,-1.6 -72,-0.2 3,-0.7 0.871 100.4 71.5 -71.9 -35.1 43.9 3.6 29.9 426 93 D A H 3X S+ 0 0 28 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.831 89.1 59.7 -51.9 -41.5 42.3 6.9 28.9 427 94 D I H 3X S+ 0 0 91 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.905 106.6 46.7 -56.3 -44.7 39.0 6.1 30.6 428 95 D Y H S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 5,-0.7 0.972 111.1 52.1 -68.4 -54.5 40.4 10.7 37.9 433 100 D E H X>S+ 0 0 73 -4,-2.5 5,-2.5 1,-0.2 4,-1.6 0.902 114.7 45.2 -35.8 -53.7 40.3 14.2 36.2 434 101 D K H <5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.3 40.7 -67.5 -51.1 36.6 14.2 36.8 435 102 D I H <5S+ 0 0 51 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.817 132.4 16.7 -68.7 -32.3 36.4 13.0 40.4 436 103 D V H <5S+ 0 0 7 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.838 128.4 25.3-114.3 -43.2 39.4 15.0 41.7 437 104 D F T X S+ 0 0 44 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.891 102.7 46.3 -52.4 -42.5 35.6 20.4 40.3 440 107 D V H >4 S+ 0 0 5 -3,-0.5 3,-0.8 -4,-0.3 4,-0.3 0.929 114.3 48.7 -65.3 -45.2 38.2 23.1 41.4 441 108 D S H >< S+ 0 0 38 -4,-1.4 3,-1.7 1,-0.2 4,-0.2 0.832 103.2 61.7 -57.2 -38.9 38.5 24.3 37.8 442 109 D E H >< S+ 0 0 95 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.672 84.7 76.2 -63.4 -25.1 34.6 24.4 37.4 443 110 D L T << S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.776 100.6 43.9 -53.1 -27.6 34.6 27.0 40.2 444 111 D L T < 0 0 8 -3,-1.7 -161,-1.0 -4,-0.3 -1,-0.2 0.505 360.0 360.0 -97.2 -11.3 35.8 29.3 37.3 445 112 D K < 0 0 99 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.1 0.579 360.0 360.0 -93.2 360.0 33.4 28.1 34.6