==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-12 4H7Y . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.M.BOLANOS-GARCIA,D.Y.CHIRGADZE,T.L.BLUNDELL . 556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 18 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 2 0 0 0 0 0 4 0 4 8 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 10 A A 0 0 111 0, 0.0 2,-1.5 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -24.0 30.9 4.4 111.8 2 11 A N + 0 0 87 4,-0.1 3,-0.0 5,-0.0 34,-0.0 -0.462 360.0 110.8 -84.7 63.2 34.2 6.1 112.2 3 12 A N S > S- 0 0 41 -2,-1.5 4,-2.1 1,-0.1 3,-0.2 -0.953 77.5-116.3-132.4 158.0 36.0 3.7 109.9 4 13 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.791 110.4 57.4 -64.0 -30.7 37.4 4.1 106.4 5 14 A E H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.918 110.3 42.1 -68.3 -44.7 35.1 1.7 104.8 6 15 A D H > S+ 0 0 88 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 116.0 50.4 -68.1 -40.4 31.9 3.5 105.9 7 16 A W H X S+ 0 0 18 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.926 109.7 50.1 -61.3 -46.6 33.5 6.9 105.1 8 17 A L H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.912 109.7 51.3 -60.3 -42.3 34.6 5.8 101.6 9 18 A S H X S+ 0 0 80 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 111.5 46.8 -59.5 -44.9 31.0 4.5 100.9 10 19 A L H X S+ 0 0 69 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.891 114.1 48.6 -64.2 -41.0 29.5 7.8 101.9 11 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 111.4 47.7 -69.0 -42.6 32.0 9.8 99.9 12 21 A L H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.859 113.2 50.4 -65.4 -33.9 31.5 7.7 96.7 13 22 A K H X S+ 0 0 141 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.6 52.3 -70.3 -41.6 27.8 8.0 97.2 14 23 A L H X S+ 0 0 32 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.925 111.4 47.5 -59.5 -45.0 28.0 11.8 97.5 15 24 A E H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.5 0.934 110.8 50.4 -63.8 -45.9 30.0 12.0 94.3 16 25 A K H >< S+ 0 0 120 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.918 112.3 48.5 -55.2 -41.9 27.6 9.8 92.5 17 26 A N H 3< S+ 0 0 106 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.554 104.4 61.3 -77.9 -7.1 24.7 12.0 93.7 18 27 A S T << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.6 4,-0.2 0.441 79.2 149.8-100.0 -3.3 26.5 15.2 92.7 19 28 A V < + 0 0 15 -3,-1.0 2,-0.1 -4,-0.5 139,-0.0 -0.589 55.3 52.5 -73.7 133.9 26.7 14.4 88.9 20 29 A P S S- 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.412 97.9-143.8 -72.3 131.4 26.7 16.6 86.8 21 30 A L - 0 0 10 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.438 21.4-177.6 -73.1 136.0 29.6 18.1 88.7 22 31 A S > - 0 0 30 -4,-0.2 4,-2.6 -2,-0.2 5,-0.2 -0.793 45.1 -99.9-118.0 168.6 29.9 21.9 89.1 23 32 A D H > S+ 0 0 49 -2,-0.3 4,-2.5 179,-0.2 5,-0.2 0.904 125.6 51.0 -49.6 -44.3 32.6 23.9 90.7 24 33 A A H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.6 45.1 -64.2 -44.9 30.3 24.3 93.7 25 34 A L H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 112.2 52.4 -69.8 -33.5 29.6 20.6 94.0 26 35 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 108.3 50.3 -69.3 -40.7 33.3 19.7 93.6 27 36 A N H X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 111.2 49.6 -61.9 -39.3 34.2 22.1 96.4 28 37 A K H X S+ 0 0 73 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 111.0 49.2 -65.3 -42.6 31.6 20.5 98.6 29 38 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 111.2 48.7 -62.8 -45.3 32.9 17.0 97.8 30 39 A I H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.896 109.4 54.0 -62.0 -39.8 36.5 18.0 98.5 31 40 A G H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.913 107.8 49.8 -59.8 -41.7 35.3 19.5 101.8 32 41 A R H X S+ 0 0 51 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.885 107.3 53.7 -67.7 -39.7 33.7 16.3 102.8 33 42 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 106.7 52.7 -58.3 -39.9 36.8 14.3 102.0 34 43 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.894 105.6 54.9 -63.9 -35.6 38.7 16.6 104.3 35 44 A Q H X S+ 0 0 8 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.867 106.6 50.5 -66.6 -35.3 36.2 15.8 107.0 36 45 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 3,-0.5 0.909 110.3 49.6 -64.1 -43.7 36.8 12.1 106.6 37 46 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.859 107.2 54.6 -67.3 -31.8 40.6 12.7 106.9 38 47 A E H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 112.3 45.9 -66.3 -25.8 40.0 14.8 110.1 39 48 A A H 3< S+ 0 0 25 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.497 101.2 70.4 -98.1 -5.8 38.1 11.8 111.5 40 49 A L S << S- 0 0 0 -4,-0.7 -1,-0.1 -3,-0.6 -37,-0.1 -0.876 72.3-142.2-123.7 101.1 40.5 8.9 110.6 41 50 A P > - 0 0 22 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.394 10.4-146.2 -60.4 128.3 43.8 8.6 112.5 42 51 A P G > S+ 0 0 10 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.790 85.7 76.2 -71.4 -26.4 46.4 7.4 109.9 43 52 A D G > S+ 0 0 81 1,-0.3 3,-0.6 2,-0.2 447,-0.0 0.858 101.7 36.0 -50.9 -48.6 48.4 5.4 112.5 44 53 A K G < S+ 0 0 136 -3,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.554 117.4 54.1 -85.2 -5.5 45.9 2.5 112.7 45 54 A Y G X + 0 0 31 -3,-1.0 3,-2.0 -4,-0.4 -1,-0.2 0.224 63.9 116.0-117.1 14.7 45.0 2.6 109.0 46 55 A G T < S+ 0 0 22 -3,-0.6 37,-0.5 -4,-0.4 -1,-0.1 0.743 89.9 35.2 -56.1 -26.9 48.4 2.4 107.2 47 56 A Q T 3 S+ 0 0 149 -3,-0.2 2,-0.6 35,-0.1 -1,-0.3 0.218 90.2 115.7-110.3 13.3 47.4 -1.0 105.7 48 57 A N <> - 0 0 28 -3,-2.0 4,-1.9 1,-0.2 5,-0.2 -0.747 53.3-156.5 -90.2 118.2 43.7 -0.2 105.2 49 58 A E H > S+ 0 0 101 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.864 92.2 51.8 -65.8 -36.6 42.8 -0.1 101.5 50 59 A S H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 108.8 50.9 -66.9 -36.7 39.8 2.1 101.9 51 60 A F H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 109.1 51.8 -67.5 -36.7 41.8 4.7 103.9 52 61 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.911 110.2 49.0 -64.2 -40.8 44.4 4.7 101.1 53 62 A R H X S+ 0 0 93 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.893 107.6 54.4 -67.7 -39.1 41.6 5.3 98.6 54 63 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.937 112.1 43.8 -58.2 -45.9 40.2 8.2 100.6 55 64 A Q H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.895 114.3 48.7 -69.7 -38.7 43.6 9.9 100.7 56 65 A V H X S+ 0 0 8 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.918 110.5 51.2 -67.9 -42.6 44.3 9.3 97.0 57 66 A R H X S+ 0 0 18 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.917 109.5 51.3 -59.2 -42.7 40.8 10.6 96.0 58 67 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 112.7 45.1 -60.8 -46.1 41.5 13.7 98.0 59 68 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 14,-0.2 -2,-0.2 0.915 113.2 50.4 -62.6 -43.8 44.8 14.3 96.3 60 69 A E H X S+ 0 0 46 -4,-3.1 4,-0.8 2,-0.2 105,-0.2 0.895 111.8 47.4 -63.7 -40.4 43.3 13.6 92.9 61 70 A L H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-0.6 0.896 110.9 51.4 -65.8 -39.7 40.5 16.0 93.5 62 71 A K H 3X S+ 0 0 9 -4,-2.4 4,-3.5 1,-0.2 7,-0.2 0.836 101.8 61.9 -64.8 -30.9 42.9 18.7 94.7 63 72 A A H 3< S+ 0 0 11 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.799 111.6 38.7 -65.6 -28.2 44.9 18.1 91.5 64 73 A I H << S+ 0 0 6 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.933 121.8 41.8 -78.3 -55.5 41.8 19.3 89.7 65 74 A Q H < S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.823 139.8 2.7 -64.8 -38.6 40.8 22.1 92.2 66 75 A E >X + 0 0 54 -4,-3.5 3,-2.4 -5,-0.2 4,-0.5 -0.456 65.7 173.7-150.1 70.6 44.4 23.4 92.8 67 76 A P G >4 S+ 0 0 48 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.774 80.1 57.1 -60.7 -28.6 47.1 21.6 90.7 68 77 A D G 34 S+ 0 0 119 1,-0.2 -5,-0.1 2,-0.1 30,-0.0 0.556 116.4 37.0 -76.2 -7.3 49.9 23.9 91.7 69 78 A D G <4 S+ 0 0 43 -3,-2.4 3,-0.4 -7,-0.2 -1,-0.2 0.318 93.7 88.1-119.9 3.4 49.3 23.1 95.4 70 79 A A XX + 0 0 0 -3,-0.7 3,-1.4 -4,-0.5 4,-1.1 0.683 60.4 86.6 -86.3 -17.2 48.3 19.4 95.1 71 80 A R H >> S+ 0 0 86 -4,-0.3 4,-2.1 1,-0.3 3,-0.6 0.870 84.4 57.2 -50.5 -44.9 51.8 17.7 95.4 72 81 A D H 3> S+ 0 0 27 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.767 101.7 57.0 -63.5 -25.1 51.8 17.6 99.2 73 82 A Y H <> S+ 0 0 9 -3,-1.4 4,-2.1 -4,-0.2 -1,-0.2 0.852 106.9 47.3 -76.0 -32.9 48.5 15.6 99.3 74 83 A F H < + 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 6,-0.2 -0.341 69.1 153.6-134.1 53.3 49.7 4.1 102.9 82 91 A K T 3 + 0 0 157 -3,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.623 60.2 70.2 -66.5 -17.2 53.0 3.1 101.4 83 92 A K T 3 S+ 0 0 78 -37,-0.5 34,-3.1 33,-0.1 2,-0.7 0.734 80.0 88.8 -75.6 -19.1 52.3 -0.5 100.8 84 93 A F B X> -a 117 0A 14 -3,-1.5 3,-1.5 32,-0.2 4,-1.2 -0.715 60.7-157.8 -93.6 116.6 49.8 0.1 98.0 85 94 A A H 3> S+ 0 0 0 32,-2.7 4,-2.4 -2,-0.7 5,-0.2 0.846 93.2 63.0 -51.7 -39.7 51.1 0.4 94.4 86 95 A F H 3> S+ 0 0 51 31,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.805 99.7 54.6 -62.8 -25.3 48.0 2.4 93.4 87 96 A V H <> S+ 0 0 2 -3,-1.5 4,-1.8 -6,-0.2 -1,-0.2 0.948 110.3 44.0 -71.4 -48.6 49.0 5.2 95.8 88 97 A H H X S+ 0 0 2 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.879 113.9 52.0 -60.4 -39.7 52.5 5.6 94.3 89 98 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.883 105.5 53.5 -69.6 -39.1 51.1 5.4 90.8 90 99 A S H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.933 111.6 46.5 -56.7 -44.1 48.5 8.1 91.5 91 100 A F H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.935 113.1 49.5 -63.4 -45.6 51.5 10.3 92.7 92 101 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.861 109.1 52.5 -62.7 -38.0 53.4 9.3 89.5 93 102 A Q H X S+ 0 0 38 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.877 108.5 50.6 -63.5 -41.3 50.4 10.2 87.3 94 103 A F H X S+ 0 0 7 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.939 111.1 47.6 -60.7 -47.5 50.1 13.6 88.9 95 104 A E H <>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.920 112.3 49.9 -64.5 -41.7 53.8 14.3 88.3 96 105 A L H ><5S+ 0 0 25 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.927 106.7 54.2 -59.5 -46.6 53.6 13.1 84.7 97 106 A S H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 106.2 54.1 -61.3 -24.3 50.5 15.3 84.1 98 107 A Q T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.345 124.9-104.5 -88.4 4.3 52.5 18.3 85.3 99 108 A G T < 5S+ 0 0 56 -3,-2.2 2,-1.4 1,-0.1 3,-0.2 0.541 80.7 134.2 84.5 8.9 55.3 17.5 82.8 100 109 A N >< + 0 0 62 -5,-2.7 4,-2.2 -6,-0.2 5,-0.2 -0.525 18.8 160.3 -93.6 72.5 57.6 16.0 85.4 101 110 A V H > S+ 0 0 76 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.844 70.7 48.2 -66.7 -38.8 58.6 12.9 83.5 102 111 A K H > S+ 0 0 172 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 112.6 49.6 -70.5 -38.0 61.8 12.1 85.5 103 112 A K H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 107.9 54.2 -64.8 -40.7 60.0 12.6 88.8 104 113 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 111.6 45.2 -59.6 -44.5 57.2 10.3 87.6 105 114 A K H X S+ 0 0 94 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.899 110.1 53.5 -66.8 -42.9 59.8 7.6 86.8 106 115 A Q H X S+ 0 0 82 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 108.4 51.1 -55.4 -46.6 61.7 8.1 90.1 107 116 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.906 111.6 46.2 -61.3 -41.7 58.4 7.6 92.1 108 117 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.903 112.8 49.8 -69.6 -40.3 57.6 4.4 90.3 109 118 A Q H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.896 109.4 51.5 -64.3 -41.4 61.1 3.0 90.7 110 119 A K H X S+ 0 0 74 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.879 107.4 53.5 -62.8 -38.1 61.1 3.8 94.4 111 120 A A H <>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 4,-0.4 0.915 111.2 46.0 -61.8 -43.6 57.8 1.9 94.8 112 121 A V H ><5S+ 0 0 55 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.941 112.3 50.3 -62.5 -47.3 59.2 -1.1 93.1 113 122 A E H 3<5S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 112.5 47.9 -60.6 -33.2 62.4 -0.9 95.2 114 123 A R T 3<5S- 0 0 148 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.417 115.8-114.6 -92.7 0.9 60.3 -0.6 98.4 115 124 A G T < 5 + 0 0 52 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.824 46.2 176.4 76.1 33.2 58.1 -3.5 97.5 116 125 A A < - 0 0 4 -5,-2.7 -32,-0.2 -6,-0.1 -1,-0.2 -0.431 35.4 -81.7 -67.3 147.5 54.7 -1.8 97.0 117 126 A V B S+a 84 0A 72 -34,-3.1 -32,-2.7 1,-0.1 -31,-0.4 -0.879 99.7 25.3-126.2 152.1 52.0 -4.2 95.8 118 127 A P >> - 0 0 72 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.506 66.4-161.8 -77.7 144.0 50.9 -5.5 93.5 119 128 A L H >> S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.847 84.7 66.4 -57.5 -37.0 54.2 -5.3 91.6 120 129 A E H 3> S+ 0 0 96 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.828 96.2 55.0 -59.8 -33.3 52.4 -6.0 88.2 121 130 A M H <> S+ 0 0 52 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.878 109.1 48.4 -65.2 -39.4 50.6 -2.6 88.4 122 131 A L H S+ 0 0 18 -4,-2.5 5,-2.6 8,-0.3 -2,-0.2 0.843 111.4 53.3 -68.9 -34.2 53.5 3.0 79.7 129 138 A L H ><5S+ 0 0 11 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.910 108.9 49.7 -64.2 -41.6 55.7 5.7 81.0 130 139 A N H 3<5S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 109.0 51.9 -69.3 -28.0 58.5 4.4 78.8 131 140 A L T 3<5S- 0 0 107 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.436 114.8-123.3 -80.9 -2.3 56.1 4.4 75.9 132 141 A Q T < 5 + 0 0 173 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.842 50.7 165.6 58.1 39.4 55.3 8.0 76.8 133 142 A K < - 0 0 107 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.443 44.1-126.4 -75.4 159.1 51.6 7.4 77.2 134 143 A K S S+ 0 0 97 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.798 95.6 49.9 -79.3 -29.0 49.5 10.1 78.9 135 144 A Q - 0 0 63 1,-0.1 3,-0.2 -7,-0.1 -1,-0.1 -0.955 66.0-155.1-115.9 126.4 48.0 7.6 81.4 136 145 A L S S+ 0 0 0 -2,-0.5 2,-0.4 1,-0.2 -8,-0.3 0.816 93.3 27.6 -65.6 -33.3 50.2 5.2 83.4 137 146 A L S S- 0 0 50 4,-0.1 -1,-0.2 -9,-0.1 -12,-0.0 -0.989 86.9-132.2-129.1 123.9 47.2 2.9 83.8 138 147 A S > - 0 0 60 -2,-0.4 3,-0.7 -3,-0.2 -2,-0.0 -0.223 29.4-109.1 -61.3 160.1 44.4 2.9 81.2 139 148 A E T 3 S+ 0 0 102 1,-0.2 -1,-0.1 -4,-0.0 28,-0.0 0.817 124.2 50.9 -59.5 -29.1 40.8 3.0 82.4 140 149 A E T 3 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.628 360.0 360.0 -84.9 -16.7 40.6 -0.6 81.4 141 150 A E < 0 0 77 -3,-0.7 -4,-0.1 -20,-0.0 -20,-0.0 -0.479 360.0 360.0 -90.0 360.0 43.8 -1.6 83.3 142 !* 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 0.0 143 10 B A 0 0 104 0, 0.0 2,-1.5 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 78.8 22.1 10.8 65.1 144 11 B N + 0 0 92 4,-0.1 3,-0.0 3,-0.0 34,-0.0 -0.563 360.0 109.7 -91.5 82.3 23.3 14.4 65.0 145 12 B N S > S- 0 0 42 -2,-1.5 4,-1.9 37,-0.1 3,-0.2 -0.964 75.1-113.3-144.3 154.5 20.8 16.3 67.2 146 13 B P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.811 110.8 58.7 -63.9 -30.7 21.3 17.9 70.6 147 14 B E H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.930 108.9 41.9 -67.0 -46.2 18.9 15.4 72.4 148 15 B D H > S+ 0 0 81 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.873 116.5 51.2 -66.8 -36.7 20.9 12.3 71.5 149 16 B W H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.942 109.1 48.5 -64.0 -49.6 24.1 14.1 72.2 150 17 B L H X S+ 0 0 14 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.904 109.4 55.3 -58.3 -40.2 23.1 15.3 75.6 151 18 B S H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.935 111.3 42.0 -59.4 -47.2 21.9 11.7 76.4 152 19 B L H X S+ 0 0 62 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.849 114.1 53.1 -69.2 -33.2 25.3 10.2 75.6 153 20 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 109.5 46.9 -69.4 -41.7 27.1 13.1 77.4 154 21 B L H X S+ 0 0 65 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.885 111.6 52.2 -68.4 -35.7 25.2 12.7 80.6 155 22 B K H X S+ 0 0 144 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.923 108.7 50.2 -62.3 -42.6 25.8 8.9 80.5 156 23 B L H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 108.9 52.5 -63.3 -38.4 29.5 9.6 80.1 157 24 B E H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.914 108.0 50.2 -60.9 -44.3 29.4 11.9 83.1 158 25 B K H >< S+ 0 0 117 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.851 111.5 49.6 -62.2 -33.8 27.7 9.2 85.2 159 26 B N T 3< S+ 0 0 121 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.335 95.0 74.4 -87.6 5.3 30.4 6.8 84.1 160 27 B S T < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.1 4,-0.2 -0.053 74.4 152.6-107.3 30.0 33.2 9.2 85.0 161 28 B V < + 0 0 43 -3,-0.5 2,-0.1 1,-0.2 -149,-0.0 -0.919 54.5 40.0-107.7 134.7 32.9 8.7 88.7 162 29 B P S S- 0 0 49 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.507 98.5-133.0 -79.5 145.0 35.1 9.0 90.7 163 30 B L + 0 0 8 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.342 31.4 168.5 -71.4 139.8 36.4 12.1 88.9 164 31 B S > - 0 0 22 -4,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.901 51.2 -98.9-137.6 167.4 40.1 12.6 88.1 165 32 B D H > S+ 0 0 51 -2,-0.3 4,-2.5 -105,-0.2 5,-0.2 0.918 124.3 50.5 -52.7 -46.9 42.0 15.1 86.0 166 33 B A H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 111.9 44.7 -59.4 -48.2 42.2 12.4 83.2 167 34 B L H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 112.6 53.0 -65.8 -34.9 38.4 11.6 83.3 168 35 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.916 108.4 49.6 -66.9 -43.2 37.6 15.4 83.4 169 36 B N H X S+ 0 0 41 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.891 111.0 50.7 -61.1 -39.3 39.7 16.0 80.3 170 37 B K H X S+ 0 0 93 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.918 111.0 47.8 -64.2 -43.5 38.0 13.2 78.6 171 38 B L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.940 111.9 49.2 -62.8 -48.7 34.6 14.6 79.4 172 39 B I H X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.890 109.6 53.0 -57.7 -40.3 35.5 18.1 78.3 173 40 B G H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.908 108.2 50.1 -62.1 -42.7 36.8 16.6 75.0 174 41 B R H X S+ 0 0 55 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.892 108.8 51.2 -65.6 -40.3 33.6 14.8 74.4 175 42 B Y H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 107.0 54.9 -62.1 -37.8 31.5 18.0 75.0 176 43 B S H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.887 104.1 55.2 -62.6 -35.5 33.7 19.8 72.5 177 44 B Q H X S+ 0 0 9 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.850 107.2 48.8 -66.6 -33.3 32.9 17.1 70.0 178 45 B A H X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 3,-0.3 0.891 110.4 51.5 -70.4 -38.0 29.2 17.8 70.4 179 46 B I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.902 107.4 52.5 -67.9 -36.3 29.8 21.5 70.0 180 47 B E H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 113.8 45.7 -62.6 -26.3 31.7 20.8 66.8 181 48 B A H 3< S+ 0 0 30 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.567 102.1 68.1 -96.1 -9.9 28.7 18.8 65.5 182 49 B L S << S- 0 0 1 -4,-0.9 -1,-0.2 -3,-0.6 -37,-0.1 -0.886 71.6-145.9-124.3 101.8 25.9 21.2 66.4 183 50 B P >> - 0 0 31 0, 0.0 3,-1.3 0, 0.0 4,-1.2 -0.437 8.8-142.7 -68.6 131.4 25.5 24.5 64.6 184 51 B P H 3> S+ 0 0 11 0, 0.0 4,-0.8 0, 0.0 168,-0.1 0.718 97.4 67.5 -68.3 -20.4 24.2 27.4 66.7 185 52 B D H 34 S+ 0 0 110 1,-0.2 166,-0.0 166,-0.2 -3,-0.0 0.728 109.4 37.0 -70.2 -18.9 22.2 28.7 63.7 186 53 B K H <4 S+ 0 0 151 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 0.715 124.0 37.9 -99.4 -26.7 20.0 25.6 63.9 187 54 B Y H >< + 0 0 35 -4,-1.2 3,-1.8 1,-0.1 -2,-0.2 0.180 68.9 117.9-120.7 18.4 19.8 25.1 67.6 188 55 B G T 3< S+ 0 0 21 -4,-0.8 37,-0.4 1,-0.3 -1,-0.1 0.760 88.7 39.8 -58.4 -27.2 19.6 28.5 69.3 189 56 B Q T 3 S+ 0 0 142 -3,-0.2 2,-0.5 35,-0.1 -1,-0.3 0.391 90.3 112.2-100.5 1.4 16.1 27.7 70.7 190 57 B N <> - 0 0 30 -3,-1.8 4,-2.1 1,-0.2 5,-0.1 -0.652 54.3-157.5 -85.5 121.0 17.0 24.1 71.6 191 58 B E H > S+ 0 0 86 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.870 93.1 51.7 -68.4 -35.2 17.1 23.4 75.4 192 59 B S H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 109.0 51.1 -66.4 -38.3 19.3 20.4 75.1 193 60 B F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 109.0 51.6 -62.5 -41.2 21.8 22.4 73.0 194 61 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 108.7 51.3 -60.8 -41.3 21.8 25.1 75.7 195 62 B R H X S+ 0 0 94 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.890 108.5 51.8 -64.2 -37.4 22.5 22.4 78.3 196 63 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 111.5 45.9 -64.6 -45.0 25.5 21.1 76.2 197 64 B Q H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 22,-0.2 0.906 114.6 47.8 -65.2 -42.0 27.0 24.6 75.9 198 65 B V H X S+ 0 0 6 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.915 109.7 51.8 -66.5 -43.8 26.5 25.4 79.6 199 66 B R H X S+ 0 0 17 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.893 109.3 51.7 -60.6 -37.0 27.9 22.0 80.8 200 67 B F H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.955 112.5 44.7 -64.7 -47.7 31.0 22.7 78.6 201 68 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 14,-0.2 -2,-0.2 0.909 113.9 50.5 -58.8 -44.6 31.5 26.2 80.2 202 69 B E H X S+ 0 0 50 -4,-3.0 4,-1.2 2,-0.2 -179,-0.2 0.857 110.9 48.0 -64.8 -37.1 30.9 24.8 83.7 203 70 B L H X S+ 0 0 3 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.895 110.7 51.3 -71.1 -38.3 33.4 22.0 83.2 204 71 B K H X S+ 0 0 26 -4,-2.4 4,-3.3 1,-0.2 7,-0.2 0.856 105.9 56.6 -65.9 -32.2 36.0 24.5 81.9 205 72 B A H < S+ 0 0 9 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.834 108.2 47.0 -66.3 -35.5 35.4 26.6 84.9 206 73 B I H < S+ 0 0 7 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.958 117.7 42.4 -64.1 -51.7 36.3 23.7 87.2 207 74 B Q H < S- 0 0 48 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.922 140.6 -5.1 -67.0 -52.0 39.4 22.9 85.2 208 75 B E >< - 0 0 77 -4,-3.3 3,-1.8 -5,-0.1 4,-0.4 -0.622 59.8-179.6-148.6 90.2 40.7 26.5 84.6 209 76 B P G > S+ 0 0 34 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.776 80.9 66.5 -59.2 -30.9 38.4 29.3 85.9 210 77 B D G 3 S+ 0 0 102 1,-0.2 -5,-0.1 2,-0.1 3,-0.0 0.681 112.4 32.2 -68.3 -17.6 40.9 32.0 84.7 211 78 B D G < S+ 0 0 42 -3,-1.8 3,-0.4 -7,-0.2 -1,-0.2 0.331 97.6 88.5-114.7 4.0 40.2 31.0 81.1 212 79 B A X> + 0 0 0 -3,-0.9 3,-1.4 -4,-0.4 4,-1.1 0.661 61.0 85.6 -80.9 -18.0 36.5 29.9 81.3 213 80 B R H 3> S+ 0 0 78 -4,-0.4 4,-2.2 1,-0.3 3,-0.4 0.852 82.5 59.8 -57.3 -39.8 34.8 33.3 80.8 214 81 B D H 3> S+ 0 0 29 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.787 103.0 53.3 -59.4 -29.4 34.8 33.0 77.0 215 82 B Y H <> S+ 0 0 10 -3,-1.4 4,-2.3 -4,-0.2 -14,-0.2 0.819 107.1 49.5 -80.6 -31.0 32.8 29.8 77.1 216 83 B F H X S+ 0 0 6 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.877 111.4 50.7 -68.9 -37.5 30.0 31.4 79.3 217 84 B Q H X S+ 0 0 79 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 110.4 50.6 -64.0 -39.6 29.9 34.2 76.8 218 85 B M H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.952 110.7 47.4 -60.7 -52.5 29.6 31.7 74.0 219 86 B A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 113.4 48.2 -59.0 -41.5 26.8 29.9 75.6 220 87 B R H < S+ 0 0 70 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.910 111.3 50.2 -67.9 -39.8 24.9 33.1 76.3 221 88 B A H < S+ 0 0 60 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.895 119.2 37.7 -62.0 -39.4 25.4 34.4 72.8 222 89 B N H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.759 129.6 27.4 -85.1 -25.7 24.1 31.1 71.3 223 90 B C >< + 0 0 0 -4,-2.1 3,-1.7 -5,-0.2 6,-0.2 -0.173 70.0 145.0-133.5 37.9 21.3 30.2 73.8 224 91 B K T 3 + 0 0 128 -4,-0.4 6,-0.1 -3,-0.4 -1,-0.1 0.622 59.7 72.1 -63.4 -17.0 20.1 33.6 75.2 225 92 B K T 3 S+ 0 0 79 -37,-0.4 34,-2.8 33,-0.1 2,-0.6 0.796 82.7 84.3 -69.4 -21.8 16.4 32.7 75.6 226 93 B F B X> -b 259 0B 17 -3,-1.7 3,-1.2 32,-0.2 4,-1.1 -0.700 64.8-154.5 -96.1 120.1 17.1 30.4 78.5 227 94 B A H 3> S+ 0 0 0 32,-2.8 4,-2.5 -2,-0.6 5,-0.2 0.835 93.5 62.1 -53.4 -38.4 17.4 31.8 82.0 228 95 B F H 3> S+ 0 0 48 31,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.806 98.4 56.4 -66.9 -26.7 19.6 29.0 83.2 229 96 B V H <> S+ 0 0 2 -3,-1.2 4,-1.8 -6,-0.2 -1,-0.2 0.935 110.9 43.2 -64.9 -46.6 22.3 29.9 80.7 230 97 B H H X S+ 0 0 10 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.874 113.3 52.4 -66.3 -39.2 22.4 33.4 82.1 231 98 B I H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.878 106.4 53.2 -67.6 -36.6 22.3 32.1 85.7 232 99 B S H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 111.0 46.7 -61.0 -44.7 25.2 29.8 85.0 233 100 B F H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 112.7 49.6 -60.6 -47.2 27.3 32.7 83.8 234 101 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.873 109.2 52.9 -61.5 -36.4 26.2 34.8 86.8 235 102 B Q H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 108.0 50.5 -64.1 -45.2 27.2 31.8 89.0 236 103 B F H X S+ 0 0 5 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.949 111.7 46.7 -55.9 -51.1 30.7 31.7 87.5 237 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114 B K H X S+ 0 0 93 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.886 110.6 52.1 -65.8 -41.0 24.0 41.0 89.4 248 115 B Q H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.898 108.7 51.4 -62.5 -41.6 24.3 42.8 86.1 249 116 B L H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.932 111.3 47.0 -60.4 -47.8 24.1 39.5 84.2 250 117 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.913 114.4 47.0 -60.6 -42.8 21.0 38.5 86.1 251 118 B Q H X S+ 0 0 94 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.865 110.0 52.1 -71.6 -35.9 19.4 41.9 85.5 252 119 B K H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.904 108.4 53.5 -62.1 -40.0 20.3 42.0 81.8 253 120 B A H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.5 0.895 108.9 47.9 -62.1 -42.6 18.7 38.5 81.5 254 121 B V H ><5S+ 0 0 45 -4,-1.8 3,-0.9 3,-0.2 -1,-0.2 0.918 112.3 49.9 -62.3 -42.6 15.4 39.9 83.1 255 122 B E H 3<5S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.859 110.6 48.4 -67.1 -36.0 15.5 42.8 80.8 256 123 B R H 3<5S- 0 0 210 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.475 116.6-113.6 -84.3 -4.2 16.0 40.7 77.6 257 124 B G T <<5 + 0 0 49 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.820 46.2 177.5 79.1 32.2 13.2 38.4 78.7 258 125 B A < - 0 0 4 -5,-2.5 -32,-0.2 -6,-0.1 -1,-0.2 -0.416 34.8 -84.9 -65.4 144.8 15.1 35.2 79.4 259 126 B V B S+b 226 0B 73 -34,-2.8 -32,-2.8 1,-0.1 -31,-0.4 -0.873 98.3 28.4-125.1 151.9 12.8 32.4 80.6 260 127 B P >> - 0 0 69 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.491 65.4-161.6 -78.8 144.9 11.5 31.3 83.0 261 128 B L H 3> S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.859 85.2 65.3 -59.7 -36.9 11.4 34.6 84.8 262 129 B E H 3> S+ 0 0 111 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.875 97.0 55.4 -54.9 -42.1 10.9 32.9 88.2 263 130 B M H <> S+ 0 0 51 -3,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.893 108.7 47.0 -59.9 -40.7 14.3 31.3 88.0 264 131 B L H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.5 -1,-0.2 0.846 110.1 53.6 -70.4 -34.4 16.0 34.7 87.5 265 132 B E H X S+ 0 0 75 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 109.3 47.7 -66.5 -40.3 14.0 36.2 90.4 266 133 B I H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.921 111.0 51.8 -64.1 -44.8 15.1 33.4 92.8 267 134 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 110.7 47.9 -59.3 -45.1 18.7 33.9 91.6 268 135 B L H X S+ 0 0 37 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.912 110.4 50.8 -61.9 -47.8 18.6 37.7 92.3 269 136 B R H X S+ 0 0 134 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.930 111.2 48.8 -55.3 -48.7 17.0 37.3 95.8 270 137 B N H <>S+ 0 0 17 -4,-2.3 5,-2.6 8,-0.3 -1,-0.2 0.859 110.8 50.6 -62.2 -37.1 19.7 34.8 96.8 271 138 B L H ><5S+ 0 0 10 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.937 109.5 50.4 -63.4 -46.1 22.4 37.2 95.5 272 139 B N H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.655 105.1 57.4 -68.5 -16.5 20.8 40.0 97.5 273 140 B L T 3<5S- 0 0 106 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.320 116.1-121.3 -89.1 5.4 20.9 37.6 100.5 274 141 B Q T < 5 + 0 0 159 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.805 56.2 162.7 54.0 33.1 24.7 37.4 99.9 275 142 B K < - 0 0 102 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.325 44.6-130.7 -72.8 165.3 24.4 33.7 99.4 276 143 B K S S+ 0 0 112 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.804 91.2 51.6 -88.9 -35.0 27.1 31.7 97.7 277 144 B Q - 0 0 55 1,-0.1 -1,-0.2 -7,-0.1 3,-0.1 -0.922 64.7-155.6-109.9 126.6 24.9 29.8 95.3 278 145 B L S S+ 0 0 0 -2,-0.5 2,-0.4 1,-0.2 -8,-0.3 0.892 90.2 20.8 -65.7 -40.9 22.4 31.6 93.1 279 146 B L S S- 0 0 62 -3,-0.1 -1,-0.2 -48,-0.1 2,-0.1 -0.996 70.8-165.7-125.7 137.4 20.3 28.4 92.9 280 147 B S 0 0 104 -2,-0.4 -2,-0.0 1,-0.2 -1,-0.0 0.022 360.0 360.0 -88.1-153.8 20.4 25.4 95.3 281 148 B E 0 0 145 -2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.309 360.0 360.0-119.8 360.0 18.8 22.1 94.5 282 !* 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 0.0 283 10 C A 0 0 106 0, 0.0 2,-1.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 161.3 44.2 3.9 61.1 284 11 C N + 0 0 83 4,-0.1 3,-0.0 5,-0.0 34,-0.0 -0.519 360.0 110.2 -87.6 74.3 42.4 6.2 63.5 285 12 C N S > S- 0 0 36 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.941 76.5-110.1-142.7 160.0 45.0 8.8 64.3 286 13 C P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.836 113.1 54.9 -65.2 -32.7 45.4 12.5 63.4 287 14 C E H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 111.3 42.8 -65.8 -49.1 48.3 12.0 61.0 288 15 C D H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 116.9 48.5 -63.3 -41.5 46.5 9.4 58.8 289 16 C W H X S+ 0 0 35 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.941 110.6 50.4 -61.3 -48.2 43.3 11.6 59.0 290 17 C L H X S+ 0 0 9 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.906 108.2 52.8 -58.6 -42.2 45.2 14.8 58.1 291 18 C S H X S+ 0 0 76 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 111.8 46.1 -58.9 -45.2 46.8 13.1 55.1 292 19 C L H X S+ 0 0 65 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.923 114.3 47.2 -61.6 -47.7 43.4 12.0 53.8 293 20 C L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.823 109.1 53.7 -68.6 -33.4 41.8 15.4 54.3 294 21 C L H X S+ 0 0 71 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.918 110.8 47.1 -66.6 -42.7 44.7 17.3 52.7 295 22 C K H X S+ 0 0 140 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.926 110.1 52.9 -62.4 -46.2 44.4 15.1 49.6 296 23 C L H < S+ 0 0 54 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.0 47.6 -57.8 -44.1 40.6 15.6 49.5 297 24 C E H >< S+ 0 0 41 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.873 109.8 53.8 -65.2 -35.7 40.9 19.4 49.6 298 25 C K H 3< S+ 0 0 161 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.842 110.1 47.7 -67.8 -31.3 43.5 19.2 46.9 299 26 C N T 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 -0.042 100.1 70.1 -98.2 30.0 41.1 17.2 44.8 300 27 C S S < S+ 0 0 5 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.203 74.1 158.9-137.3 38.7 38.2 19.6 45.4 301 28 C V + 0 0 109 -3,-0.4 2,-0.1 1,-0.2 -3,-0.0 -0.956 61.1 33.7-112.2 134.3 39.6 22.6 43.4 302 29 C P S S- 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.625 99.1-130.7 -75.2 152.1 37.9 24.7 42.5 303 30 C L - 0 0 68 -2,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.555 24.7-172.4 -74.9 114.8 35.6 24.5 45.5 304 31 C S > - 0 0 53 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.446 42.7-104.0 -86.6 172.1 31.9 24.4 44.8 305 32 C D H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 127.3 48.9 -62.0 -35.7 29.2 24.6 47.5 306 33 C A H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 112.0 46.4 -70.4 -42.2 28.9 20.9 47.1 307 34 C L H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.872 112.3 50.8 -67.9 -40.3 32.6 20.2 47.2 308 35 C L H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 110.4 50.2 -63.4 -42.5 33.0 22.4 50.3 309 36 C N H X S+ 0 0 88 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.846 110.2 48.7 -66.6 -35.8 30.2 20.6 52.0 310 37 C K H X S+ 0 0 156 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.880 112.3 49.6 -69.6 -38.9 31.7 17.2 51.3 311 38 C L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 111.2 48.4 -64.4 -47.6 35.1 18.3 52.6 312 39 C I H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.916 109.3 54.2 -57.4 -45.4 33.5 19.7 55.8 313 40 C G H X S+ 0 0 31 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.850 107.8 49.7 -58.2 -36.3 31.6 16.5 56.3 314 41 C R H X S+ 0 0 84 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.895 109.7 50.4 -71.2 -40.5 34.9 14.6 56.0 315 42 C Y H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.887 107.1 56.0 -60.4 -39.0 36.5 16.9 58.6 316 43 C S H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.877 105.0 51.6 -61.6 -37.6 33.5 16.3 60.8 317 44 C Q H X S+ 0 0 103 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.894 110.7 48.0 -66.3 -41.3 34.1 12.5 60.7 318 45 C A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 3,-0.3 0.932 111.1 50.4 -61.6 -46.7 37.7 13.0 61.7 319 46 C I H < S+ 0 0 4 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.874 111.2 48.8 -63.8 -34.1 36.8 15.3 64.5 320 47 C E H < S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 113.1 48.5 -74.4 -24.8 34.2 12.7 65.8 321 48 C A H < S+ 0 0 31 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.625 100.1 70.6 -87.5 -17.3 36.8 9.9 65.6 322 49 C L S < S- 0 0 0 -4,-1.2 -1,-0.1 -3,-0.3 5,-0.1 -0.854 76.4-141.0-115.0 102.5 39.7 11.7 67.4 323 50 C P >> - 0 0 37 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.394 8.9-144.4 -65.9 125.0 39.2 12.2 71.1 324 51 C P H 3> S+ 0 0 5 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.775 93.9 64.3 -63.1 -28.0 40.6 15.6 72.1 325 52 C D H 34 S+ 0 0 36 1,-0.2 -155,-0.1 2,-0.2 3,-0.1 0.762 106.6 45.1 -67.6 -23.4 41.9 14.5 75.5 326 53 C K H <4 S+ 0 0 121 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 0.748 120.7 37.7 -82.6 -26.7 44.4 12.2 73.7 327 54 C Y H >< S+ 0 0 45 -4,-0.9 3,-2.0 -3,-0.3 -2,-0.2 0.206 70.3 117.5-120.9 15.3 45.5 14.6 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-94.7 17.1 37.1 25.3 131.9 439 27 D S S < S- 0 0 7 -3,-1.2 -1,-0.2 -5,-0.1 4,-0.1 -0.416 80.0-172.9-122.4 53.5 39.3 22.3 131.4 440 28 D V + 0 0 111 -3,-0.2 2,-0.1 2,-0.1 -3,-0.0 -0.847 59.4 18.4-108.3 134.8 42.2 23.4 133.5 441 29 D P S S- 0 0 116 0, 0.0 2,-1.6 0, 0.0 5,-0.1 0.744 95.5-113.6 -88.5 170.4 44.7 22.1 133.7 442 30 D L + 0 0 64 -2,-0.1 -2,-0.1 4,-0.1 -6,-0.0 -0.390 40.2 178.4 -74.5 86.8 44.7 19.8 130.6 443 31 D S > - 0 0 54 -2,-1.6 4,-2.4 -4,-0.1 5,-0.2 -0.203 44.7-100.7 -68.9 171.1 44.6 16.2 131.9 444 32 D D H > S+ 0 0 139 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 123.0 44.9 -61.8 -48.2 44.5 13.3 129.4 445 33 D A H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 115.1 47.7 -64.2 -43.8 40.8 12.7 129.8 446 34 D L H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 113.1 49.5 -63.7 -39.0 40.0 16.5 129.5 447 35 D L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.911 111.5 49.2 -64.3 -43.6 42.3 16.7 126.5 448 36 D N H X S+ 0 0 95 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.877 113.4 45.3 -66.1 -38.5 40.5 13.8 124.9 449 37 D K H X S+ 0 0 141 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.859 111.2 53.0 -73.5 -35.1 37.1 15.2 125.5 450 38 D L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.936 110.9 46.9 -63.3 -46.6 38.2 18.6 124.3 451 39 D I H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.904 108.2 57.5 -59.3 -41.7 39.4 17.1 121.1 452 40 D G H X S+ 0 0 32 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.849 106.2 48.3 -57.8 -37.1 36.2 15.1 120.8 453 41 D R H X S+ 0 0 78 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.2 0.881 109.2 52.9 -72.8 -38.7 34.2 18.3 120.9 454 42 D Y H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.920 105.6 55.3 -60.3 -42.2 36.5 19.8 118.2 455 43 D S H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.869 106.8 50.2 -58.7 -37.3 35.8 16.7 116.1 456 44 D Q H X S+ 0 0 102 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.892 110.0 50.0 -68.3 -39.7 32.1 17.4 116.4 457 45 D A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.919 111.8 48.7 -60.6 -44.0 32.5 21.0 115.3 458 46 D I H < S+ 0 0 5 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.894 110.7 49.0 -69.7 -37.3 34.6 19.9 112.4 459 47 D E H < S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.772 113.4 49.5 -70.3 -23.1 32.0 17.3 111.3 460 48 D A H < S+ 0 0 30 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.678 99.0 69.8 -89.9 -20.5 29.3 19.9 111.5 461 49 D L S < S- 0 0 0 -4,-1.3 -1,-0.1 -3,-0.3 5,-0.1 -0.856 77.5-139.0-108.7 104.8 30.8 22.7 109.6 462 50 D P >> - 0 0 38 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.435 10.7-143.3 -65.0 123.4 31.1 22.1 105.8 463 51 D P G >4 S+ 0 0 5 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.779 94.1 65.8 -59.8 -29.7 34.6 23.4 104.7 464 52 D D G 34 S+ 0 0 32 1,-0.3 3,-0.3 2,-0.2 -436,-0.1 0.735 102.2 50.2 -66.6 -20.4 33.3 24.8 101.3 465 53 D K G <4 S+ 0 0 114 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.706 116.1 39.6 -80.5 -22.0 31.2 27.3 103.2 466 54 D Y X< + 0 0 37 -3,-1.0 3,-1.6 -4,-0.6 7,-0.2 0.101 64.5 121.2-128.1 20.8 33.9 28.6 105.4 467 55 D G T 3 S+ 0 0 29 -4,-0.4 37,-0.4 1,-0.3 -1,-0.1 0.772 91.0 37.6 -60.9 -26.1 37.2 28.9 103.6 468 56 D Q T 3 S+ 0 0 149 -3,-0.2 2,-0.6 35,-0.1 -1,-0.3 0.316 90.6 111.4-106.8 7.9 37.4 32.6 104.4 469 57 D N <> - 0 0 29 -3,-1.6 4,-2.0 1,-0.2 5,-0.1 -0.728 53.6-158.0 -90.9 118.6 35.9 32.4 107.9 470 58 D E H > S+ 0 0 112 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.868 91.7 52.6 -67.8 -36.5 38.5 33.2 110.5 471 59 D S H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 108.0 52.4 -66.1 -38.7 36.7 31.4 113.3 472 60 D F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 108.7 50.7 -57.6 -46.6 36.5 28.3 111.2 473 61 D A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.899 108.1 52.6 -59.5 -40.0 40.3 28.5 110.6 474 62 D R H X S+ 0 0 114 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.870 110.2 48.7 -65.0 -34.6 40.8 28.9 114.4 475 63 D I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 112.8 46.1 -68.1 -49.0 38.8 25.7 114.9 476 64 D Q H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 22,-0.2 0.914 116.5 45.9 -61.2 -43.2 40.7 23.7 112.2 477 65 D V H X S+ 0 0 6 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.930 111.9 48.8 -66.5 -46.0 44.1 24.9 113.6 478 66 D R H X S+ 0 0 62 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.866 107.3 56.3 -67.7 -34.5 43.4 24.3 117.3 479 67 D F H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 110.6 45.5 -57.0 -46.3 42.1 20.8 116.6 480 68 D A H X S+ 0 0 0 -4,-1.6 4,-2.2 14,-0.2 -2,-0.2 0.918 112.4 49.8 -66.1 -43.4 45.4 20.1 114.9 481 69 D E H X S+ 0 0 61 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.912 111.5 49.1 -61.6 -42.1 47.5 21.7 117.7 482 70 D L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 110.4 50.5 -65.7 -41.1 45.5 19.7 120.3 483 71 D K H X S+ 0 0 36 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.881 107.3 54.9 -60.5 -39.0 46.1 16.5 118.4 484 72 D A H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.818 107.7 49.6 -66.4 -31.1 49.8 17.3 118.2 485 73 D I H < S+ 0 0 102 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.905 114.8 44.2 -67.8 -44.3 49.9 17.6 122.0 486 74 D Q H < S- 0 0 66 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.904 141.9 -8.4 -70.8 -44.1 48.1 14.3 122.4 487 75 D E >< - 0 0 84 -4,-3.0 3,-1.6 -5,-0.1 -1,-0.2 -0.626 61.1-174.5-158.9 91.9 50.2 12.4 119.8 488 76 D P G > S+ 0 0 40 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.766 82.1 64.7 -62.8 -29.7 52.6 14.4 117.7 489 77 D D G 3 S+ 0 0 117 1,-0.2 -5,-0.1 2,-0.1 30,-0.0 0.512 111.1 38.0 -73.2 -4.0 53.7 11.5 115.4 490 78 D D G < S+ 0 0 44 -3,-1.6 -1,-0.2 -7,-0.2 3,-0.2 0.217 94.6 84.5-126.3 10.9 50.1 11.3 114.1 491 79 D A X> + 0 0 0 -3,-1.1 3,-1.1 1,-0.2 4,-1.0 0.572 58.7 92.3 -97.5 -9.3 49.1 14.9 113.9 492 80 D R H 3> S+ 0 0 83 -4,-0.3 4,-2.1 1,-0.3 3,-0.5 0.838 80.2 58.8 -57.6 -39.8 50.4 15.9 110.5 493 81 D D H 3> S+ 0 0 5 -3,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.817 101.8 56.4 -60.0 -32.5 47.2 15.1 108.5 494 82 D Y H <> S+ 0 0 3 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.842 107.8 46.1 -74.1 -32.4 45.3 17.6 110.6 495 83 D F H X S+ 0 0 5 -4,-1.0 4,-2.6 -3,-0.5 5,-0.2 0.864 110.0 55.5 -70.9 -38.5 47.6 20.5 109.8 496 84 D Q H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 110.1 46.2 -58.6 -41.7 47.4 19.4 106.1 497 85 D M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.913 110.2 51.7 -71.0 -41.9 43.6 19.7 106.3 498 86 D A H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.923 113.4 45.6 -60.7 -41.3 43.7 23.1 108.0 499 87 D R H < S+ 0 0 22 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.900 113.2 50.4 -68.8 -38.7 46.0 24.4 105.4 500 88 D A H < S+ 0 0 12 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.889 120.2 35.3 -60.3 -41.2 43.9 22.8 102.6 501 89 D N H < S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.675 128.6 30.6 -90.2 -20.7 40.7 24.4 104.0 502 90 D C >< + 0 0 0 -4,-1.9 3,-1.5 -5,-0.2 6,-0.2 -0.239 68.1 146.7-136.8 43.0 41.9 27.7 105.3 503 91 D K T 3 + 0 0 106 -3,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.708 60.2 70.8 -62.4 -23.9 44.7 28.7 103.1 504 92 D K T 3 S+ 0 0 79 -37,-0.4 34,-2.8 33,-0.1 2,-0.6 0.783 82.4 84.7 -67.1 -22.5 44.2 32.5 103.1 505 93 D F B X> -d 538 0D 14 -3,-1.5 3,-1.5 32,-0.2 4,-1.2 -0.708 62.9-156.0 -96.2 115.3 45.3 32.8 106.8 506 94 D A H 3> S+ 0 0 0 32,-2.7 4,-2.3 -2,-0.6 5,-0.2 0.834 93.7 63.1 -48.5 -38.8 49.0 33.2 107.6 507 95 D F H 3> S+ 0 0 52 31,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.801 98.7 55.2 -65.1 -26.7 48.4 31.9 111.1 508 96 D V H <> S+ 0 0 2 -3,-1.5 4,-1.8 -6,-0.2 -1,-0.2 0.930 109.8 45.2 -68.1 -46.3 47.3 28.5 109.7 509 97 D H H X S+ 0 0 8 -4,-1.2 4,-3.0 1,-0.2 -2,-0.2 0.884 112.8 52.4 -64.5 -36.9 50.5 28.1 107.7 510 98 D I H X S+ 0 0 7 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.888 105.8 52.3 -68.5 -40.2 52.5 29.2 110.8 511 99 D S H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 112.8 46.2 -60.3 -41.5 50.9 26.6 113.0 512 100 D F H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.956 114.4 47.4 -64.6 -49.5 51.8 24.0 110.5 513 101 D A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.882 111.2 51.8 -58.6 -39.4 55.3 25.4 110.2 514 102 D Q H X S+ 0 0 39 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.906 108.5 51.4 -63.3 -42.9 55.5 25.5 114.0 515 103 D F H X S+ 0 0 6 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.942 110.7 47.1 -58.0 -50.0 54.5 21.9 114.2 516 104 D E H ><>S+ 0 0 5 -4,-2.4 5,-2.8 1,-0.2 3,-1.0 0.902 111.3 51.8 -61.3 -42.0 57.2 20.8 111.7 517 105 D L H ><5S+ 0 0 25 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.888 105.4 55.6 -59.3 -40.9 59.8 22.9 113.6 518 106 D S H 3<5S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.628 107.1 50.9 -69.2 -13.5 58.8 21.1 116.8 519 107 D Q T <<5S- 0 0 67 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.353 123.8-104.4-101.5 2.1 59.5 17.8 115.1 520 108 D G T < 5S+ 0 0 59 -3,-1.6 2,-0.8 -4,-0.2 -3,-0.2 0.696 80.3 133.4 83.1 20.6 62.9 18.9 114.0 521 109 D N >< + 0 0 65 -5,-2.8 4,-2.5 1,-0.2 5,-0.2 -0.539 18.0 158.3-101.5 66.7 61.9 19.4 110.4 522 110 D V H > + 0 0 83 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.847 69.9 51.3 -60.8 -41.2 63.5 22.8 109.9 523 111 D K H > S+ 0 0 170 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 112.9 43.9 -63.0 -47.1 63.7 22.7 106.1 524 112 D K H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.887 111.2 56.1 -67.5 -37.7 60.0 21.8 105.7 525 113 D S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.941 110.5 44.7 -57.0 -47.5 59.1 24.4 108.2 526 114 D K H X S+ 0 0 74 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.904 112.0 51.7 -64.6 -40.4 60.9 27.0 106.1 527 115 D Q H X S+ 0 0 110 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 107.7 53.3 -64.7 -37.9 59.3 25.7 102.9 528 116 D L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.925 111.8 44.6 -61.0 -46.7 55.9 26.0 104.5 529 117 D L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.905 114.4 48.7 -66.1 -42.7 56.4 29.6 105.4 530 118 D Q H X S+ 0 0 99 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.872 110.0 51.5 -66.1 -37.8 57.9 30.5 102.1 531 119 D K H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.909 107.2 54.3 -65.0 -39.5 55.1 28.9 100.2 532 120 D A H X>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.8 0.919 109.3 47.2 -60.1 -43.9 52.7 30.8 102.3 533 121 D V H ><5S+ 0 0 56 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.941 111.3 51.8 -61.2 -45.9 54.4 34.1 101.3 534 122 D E H 3<5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 111.4 46.9 -57.1 -39.0 54.4 33.0 97.6 535 123 D R H 3<5S- 0 0 94 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.546 115.7-113.5 -84.8 -9.8 50.6 32.2 97.8 536 124 D G T <<5 + 0 0 48 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.793 46.2 177.1 84.5 29.4 49.8 35.5 99.5 537 125 D A < - 0 0 4 -5,-2.3 -32,-0.2 -6,-0.1 -1,-0.2 -0.384 35.4 -83.6 -64.2 146.8 48.6 34.3 102.9 538 126 D V B S+d 505 0D 70 -34,-2.8 -32,-2.7 1,-0.2 -31,-0.4 -0.869 100.0 27.7-125.5 149.2 47.7 37.2 105.2 539 127 D P >> - 0 0 69 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.483 65.1-162.9 -81.8 144.3 48.9 39.1 107.1 540 128 D L H >> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.882 85.6 65.1 -55.5 -41.8 52.3 39.1 105.3 541 129 D E H 3> S+ 0 0 107 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.868 96.9 54.6 -51.0 -45.8 54.0 40.7 108.4 542 130 D M H <> S+ 0 0 52 -3,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.869 109.2 48.4 -58.0 -39.6 53.2 37.6 110.5 543 131 D L H S+ 0 0 34 -4,-2.4 5,-2.6 8,-0.3 -2,-0.2 0.795 112.5 51.8 -63.0 -28.6 62.5 33.8 114.2 550 138 D L H ><5S+ 0 0 9 -4,-2.0 3,-2.3 -5,-0.2 -2,-0.2 0.975 109.4 46.5 -66.8 -57.6 63.1 30.6 112.2 551 139 D N H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.659 106.8 59.7 -61.6 -18.3 66.4 31.8 110.7 552 140 D L T 3<5S- 0 0 124 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.172 114.6-122.4 -90.7 14.6 67.4 32.9 114.2 553 141 D Q T < 5 + 0 0 187 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.767 55.6 164.3 48.2 31.9 67.0 29.2 115.1 554 142 D K < - 0 0 110 -5,-2.6 -1,-0.1 -6,-0.2 3,-0.1 -0.288 43.3-128.4 -75.8 164.7 64.4 30.3 117.7 555 143 D K S S+ 0 0 170 1,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.885 91.3 44.3 -86.5 -42.7 62.1 27.8 119.3 556 144 D Q - 0 0 95 1,-0.1 -1,-0.2 -7,-0.1 3,-0.1 -0.907 65.9-151.9-106.3 131.0 58.7 29.6 118.7 557 145 D L S S+ 0 0 0 -2,-0.5 2,-0.4 1,-0.2 -8,-0.3 0.850 91.2 23.3 -67.1 -33.8 58.0 31.2 115.3 558 146 D L 0 0 62 -9,-0.1 -1,-0.2 -3,-0.1 -12,-0.0 -0.999 360.0 360.0-131.6 135.0 55.7 33.6 117.2 559 147 D S 0 0 169 -2,-0.4 -2,-0.0 -3,-0.1 0, 0.0 -0.679 360.0 360.0 -80.9 360.0 55.8 34.7 120.8