==== 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 HYDROLASE 01-MAY-08 3D0G . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PAGUMA LARVATA, HOMO SAPIENS; . AUTHOR F.LI . 1540 6 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1030 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 6.2 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 66 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 588 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.9 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 10 1 7 2 2 1 3 2 0 4 1 3 0 2 2 4 1 0 0 0 0 1 1 0 0 0 6 RESIDUES PER ALPHA HELIX . 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 3 5 3 1 0 2 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 . 6 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 19 A S 0 0 79 0, 0.0 1330,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.7 27.4 -29.9 104.4 2 20 A T > - 0 0 87 1,-0.1 4,-1.6 4,-0.0 5,-0.1 0.204 360.0 -88.5 -74.1-167.8 29.9 -29.6 101.5 3 21 A T H > S+ 0 0 30 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.860 127.9 52.6 -69.0 -38.5 33.6 -28.6 101.5 4 22 A E H > S+ 0 0 22 65,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.833 108.9 48.4 -70.5 -33.5 32.6 -24.9 101.2 5 23 A E H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 111.8 49.6 -70.1 -42.7 30.3 -25.1 104.2 6 24 A L H X S+ 0 0 32 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.656 109.8 54.2 -68.3 -18.1 33.0 -26.8 106.2 7 25 A A H X S+ 0 0 1 -4,-0.9 4,-3.3 2,-0.2 -1,-0.2 0.890 104.6 50.6 -81.9 -44.0 35.4 -24.1 105.1 8 26 A K H X S+ 0 0 70 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.926 112.3 47.8 -59.4 -46.0 33.3 -21.1 106.3 9 27 A T H X S+ 0 0 17 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.873 113.0 49.0 -65.5 -38.5 32.9 -22.7 109.7 10 28 A F H X S+ 0 0 7 -4,-0.9 4,-1.7 -5,-0.2 -2,-0.2 0.964 114.0 45.1 -61.7 -52.3 36.6 -23.4 109.8 11 29 A L H X S+ 0 0 4 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.924 109.7 54.9 -58.3 -48.5 37.5 -19.8 108.8 12 30 A E H X S+ 0 0 68 -4,-3.2 4,-1.9 1,-0.3 -1,-0.2 0.908 107.5 49.6 -51.3 -49.0 35.0 -18.2 111.2 13 31 A T H X S+ 0 0 30 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.878 111.8 51.9 -59.1 -36.3 36.6 -20.0 114.1 14 32 A F H X S+ 0 0 1 -4,-1.7 4,-3.9 2,-0.2 5,-0.3 0.992 104.8 51.8 -62.3 -61.6 39.9 -18.8 112.9 15 33 A N H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.862 112.5 47.2 -45.4 -45.0 39.0 -15.1 112.6 16 34 A Y H X S+ 0 0 54 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.3 0.928 116.2 42.1 -67.6 -45.0 37.7 -15.1 116.2 17 35 A E H X S+ 0 0 89 -4,-2.0 4,-2.0 -3,-0.2 3,-0.4 0.894 114.2 53.3 -68.6 -37.2 40.7 -16.9 117.7 18 36 A A H X S+ 0 0 0 -4,-3.9 4,-2.5 1,-0.2 5,-0.4 0.870 100.3 61.9 -62.8 -37.5 43.1 -14.8 115.5 19 37 A Q H X S+ 0 0 27 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.861 109.1 41.0 -58.3 -36.1 41.6 -11.5 116.8 20 38 A E H X S+ 0 0 14 -4,-0.9 4,-2.7 -3,-0.4 5,-0.2 0.953 117.7 42.4 -81.2 -52.0 42.6 -12.3 120.3 21 39 A L H X S+ 0 0 11 -4,-2.0 4,-3.4 1,-0.2 30,-0.2 0.962 119.0 47.5 -59.3 -47.4 46.0 -13.7 119.9 22 40 A S H X S+ 0 0 16 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.888 110.7 50.4 -63.3 -41.0 46.8 -11.0 117.3 23 41 A Y H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.4 5,-0.3 0.925 114.0 45.9 -61.0 -41.6 45.5 -8.2 119.5 24 42 A Q H X S+ 0 0 66 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.936 111.2 52.7 -65.8 -43.7 47.6 -9.5 122.3 25 43 A S H X S+ 0 0 19 -4,-3.4 4,-2.5 22,-0.3 -2,-0.2 0.956 113.2 44.3 -52.9 -53.3 50.6 -9.8 120.0 26 44 A S H X S+ 0 0 26 -4,-2.8 4,-3.0 307,-0.3 -2,-0.2 0.902 111.7 49.2 -61.5 -49.7 50.2 -6.2 118.9 27 45 A V H X S+ 0 0 20 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.909 114.6 46.8 -59.4 -44.2 49.6 -4.5 122.3 28 46 A A H X S+ 0 0 14 -4,-2.1 4,-1.8 -5,-0.3 16,-0.3 0.936 113.5 48.0 -61.0 -47.6 52.6 -6.3 123.7 29 47 A S H X S+ 0 0 31 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.869 114.5 47.8 -62.7 -37.2 54.7 -5.4 120.6 30 48 A W H X S+ 0 0 10 -4,-3.0 4,-1.7 2,-0.2 5,-0.3 0.976 105.8 54.7 -67.1 -57.2 53.5 -1.8 121.0 31 49 A N H X S+ 0 0 70 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.851 109.5 52.4 -45.3 -39.1 54.1 -1.5 124.7 32 50 A Y H >< S+ 0 0 69 -4,-1.8 3,-1.6 2,-0.2 -1,-0.2 0.996 107.3 47.4 -56.9 -68.6 57.7 -2.5 123.9 33 51 A N H 3< S+ 0 0 30 -4,-1.8 292,-1.7 1,-0.3 -1,-0.2 0.663 122.1 39.1 -50.9 -19.1 58.4 0.0 121.1 34 52 A T H 3< S+ 0 0 9 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.582 128.6 27.8-106.7 -15.5 56.9 2.7 123.5 35 53 A N S << S- 0 0 52 -3,-1.6 2,-1.6 -4,-1.5 -1,-0.2 -0.657 75.0-156.6-149.1 80.0 58.4 1.5 126.8 36 54 A I + 0 0 82 287,-1.9 2,-0.3 -3,-0.2 287,-0.2 -0.446 36.1 146.3 -68.8 86.6 61.7 -0.4 126.3 37 55 A T >> - 0 0 54 -2,-1.6 4,-1.9 1,-0.1 3,-0.8 -0.888 59.5-123.3-118.2 153.6 61.9 -2.6 129.5 38 56 A E H 3> S+ 0 0 137 -2,-0.3 4,-1.0 1,-0.3 -1,-0.1 0.802 116.6 57.7 -62.5 -29.2 63.3 -6.1 130.0 39 57 A E H 3> S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.759 107.6 49.2 -68.6 -25.8 59.8 -7.0 131.3 40 58 A N H <> S+ 0 0 15 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.878 104.2 52.8 -84.1 -42.9 58.4 -5.9 127.9 41 59 A V H X S+ 0 0 45 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.795 109.3 55.0 -61.3 -27.0 60.8 -7.7 125.5 42 60 A Q H X S+ 0 0 111 -4,-1.0 4,-1.9 -5,-0.2 -1,-0.2 0.876 111.4 43.1 -69.4 -40.0 59.7 -10.7 127.5 43 61 A N H X S+ 0 0 82 -4,-0.8 4,-2.7 2,-0.2 5,-0.3 0.880 109.3 54.6 -74.2 -42.7 56.1 -10.0 126.8 44 62 A M H X S+ 0 0 59 -4,-2.9 4,-1.4 -16,-0.3 -15,-0.2 0.858 113.5 44.4 -59.7 -38.3 56.4 -9.1 123.1 45 63 A N H X S+ 0 0 75 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.8 55.5 -69.0 -46.0 58.1 -12.5 122.7 46 64 A N H X S+ 0 0 101 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.931 116.6 34.3 -48.2 -56.8 55.4 -14.2 124.8 47 65 A A H X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.2 -22,-0.3 0.770 116.8 55.3 -76.1 -29.4 52.5 -13.0 122.7 48 66 A G H X S+ 0 0 21 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.794 106.6 51.9 -72.7 -31.2 54.5 -13.1 119.4 49 67 A D H X S+ 0 0 98 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.959 111.1 44.9 -70.3 -53.2 55.3 -16.8 120.0 50 68 A K H X S+ 0 0 131 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.932 114.4 49.5 -50.9 -53.5 51.6 -17.9 120.7 51 69 A W H X S+ 0 0 43 -4,-1.8 4,-1.7 -30,-0.2 -1,-0.2 0.855 115.5 43.5 -60.4 -38.2 50.3 -15.9 117.7 52 70 A S H X S+ 0 0 63 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.944 113.0 50.0 -72.4 -49.6 53.0 -17.4 115.4 53 71 A A H X S+ 0 0 62 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.910 111.1 52.7 -51.7 -44.3 52.6 -21.0 116.7 54 72 A F H X S+ 0 0 21 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.916 105.2 52.5 -58.2 -51.2 48.8 -20.5 116.2 55 73 A L H X S+ 0 0 54 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.952 110.7 48.1 -49.7 -56.2 49.2 -19.4 112.6 56 74 A K H X S+ 0 0 119 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.946 112.1 48.7 -48.6 -58.2 51.3 -22.5 111.7 57 75 A E H X S+ 0 0 113 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.897 115.5 46.1 -50.5 -44.9 48.8 -24.8 113.4 58 76 A Q H X S+ 0 0 22 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.895 110.2 50.2 -69.1 -44.5 46.0 -23.1 111.5 59 77 A S H X S+ 0 0 3 -4,-3.3 4,-2.0 2,-0.2 5,-0.2 0.964 109.0 52.3 -59.7 -51.1 47.6 -23.1 108.1 60 78 A T H < S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 114.6 44.0 -52.7 -38.2 48.5 -26.8 108.4 61 79 A L H >< S+ 0 0 60 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.3 0.867 108.6 57.4 -72.3 -38.3 44.8 -27.4 109.2 62 80 A A H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.763 93.4 68.0 -64.7 -27.4 43.6 -25.0 106.4 63 81 A Q T 3< S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.572 81.3 78.8 -69.3 -7.5 45.5 -27.1 103.9 64 82 A M T < S+ 0 0 119 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 0.085 85.6 68.8 -88.2 24.3 42.9 -29.9 104.6 65 83 A Y S < S- 0 0 14 -3,-0.8 2,-0.4 14,-0.1 -1,-0.1 -0.938 82.9-134.5-143.3 117.3 40.5 -28.0 102.3 66 84 A P > - 0 0 67 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 -0.616 9.6-150.5 -82.6 125.8 41.1 -27.9 98.6 67 85 A L G > S+ 0 0 46 -2,-0.4 3,-0.7 1,-0.3 13,-0.1 0.612 89.7 63.2 -79.4 -13.9 40.6 -24.4 97.2 68 86 A Q G 3 S+ 0 0 173 1,-0.2 -1,-0.3 3,-0.1 8,-0.0 0.281 89.6 71.9 -91.1 11.8 39.5 -25.2 93.7 69 87 A E G < S+ 0 0 104 -3,-1.4 2,-0.5 1,-0.0 -65,-0.2 0.076 87.4 84.5-101.4 17.5 36.5 -26.9 95.2 70 88 A I < - 0 0 8 -3,-0.7 2,-0.9 -67,-0.1 -1,-0.0 -0.966 53.9-171.7-131.2 116.0 35.2 -23.5 96.0 71 89 A Q + 0 0 165 -2,-0.5 2,-0.1 1,-0.1 -3,-0.1 -0.665 65.1 89.5-100.3 72.5 33.2 -21.2 93.7 72 90 A N > - 0 0 53 -2,-0.9 4,-3.0 1,-0.1 5,-0.3 -0.520 59.0-159.1-171.6 90.7 33.3 -18.1 96.0 73 91 A L H > S+ 0 0 45 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.886 89.3 58.7 -40.2 -58.7 36.2 -15.7 95.7 74 92 A T H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.873 117.6 29.2 -44.4 -59.5 35.7 -14.2 99.2 75 93 A V H > S+ 0 0 14 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.925 118.7 56.9 -70.9 -43.0 36.1 -17.5 101.1 76 94 A K H X S+ 0 0 50 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.909 108.3 49.8 -51.0 -45.4 38.5 -19.0 98.5 77 95 A L H X S+ 0 0 33 -4,-4.0 4,-1.9 -5,-0.3 -1,-0.3 0.842 110.3 48.9 -63.2 -38.1 40.7 -15.9 99.0 78 96 A Q H X S+ 0 0 14 -4,-1.4 4,-2.4 -5,-0.3 5,-0.2 0.941 111.3 48.4 -68.9 -47.6 40.7 -16.3 102.8 79 97 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.857 111.9 51.0 -60.2 -36.3 41.6 -20.0 102.7 80 98 A Q H < S+ 0 0 82 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.899 108.2 51.4 -69.4 -43.0 44.4 -19.3 100.2 81 99 A A H < S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.2 3,-0.2 0.935 107.3 52.1 -58.7 -49.3 45.8 -16.6 102.4 82 100 A L H < S+ 0 0 7 -4,-2.4 2,-1.3 1,-0.3 -1,-0.2 0.730 90.5 83.9 -61.5 -22.9 45.9 -18.9 105.5 83 101 A Q < + 0 0 37 -4,-0.9 2,-1.2 -3,-0.3 -1,-0.3 -0.265 48.4 136.5 -81.9 48.4 47.8 -21.4 103.3 84 102 A Q - 0 0 137 -2,-1.3 -25,-0.1 1,-0.2 -24,-0.1 -0.857 31.9-177.8 -81.7 87.8 51.0 -19.7 104.0 85 103 A N - 0 0 32 -2,-1.2 3,-0.3 1,-0.2 2,-0.2 0.988 18.3-170.9 -48.8 -66.2 52.7 -23.1 104.5 86 104 A G > - 0 0 26 1,-0.2 3,-0.8 -3,-0.2 -1,-0.2 -0.708 50.5 -40.8 106.5-159.3 56.1 -21.5 105.4 87 105 A S G > S+ 0 0 33 -2,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.384 117.7 92.5 -82.9 2.7 59.5 -23.1 105.8 88 106 A S G 3 S+ 0 0 47 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.606 70.9 70.4 -68.7 -13.2 57.5 -25.8 107.6 89 107 A V G < S+ 0 0 48 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.1 0.673 93.6 71.4 -73.8 -19.8 57.4 -27.5 104.1 90 108 A L S < S- 0 0 24 -3,-1.4 5,-0.1 1,-0.2 2,-0.1 -0.371 99.3 -84.2 -87.5 171.6 61.1 -28.1 104.6 91 109 A S > - 0 0 61 -2,-0.1 4,-0.7 1,-0.1 3,-0.3 -0.328 46.2 -95.8 -72.6 159.4 62.7 -30.6 107.0 92 110 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.814 124.1 38.6 -35.3 -48.8 63.4 -29.9 110.7 93 111 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.784 109.2 57.3 -87.4 -31.1 67.0 -28.9 110.0 94 112 A K H 4 S+ 0 0 92 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.460 113.9 44.9 -75.5 -1.8 66.6 -27.1 106.7 95 113 A S H X S+ 0 0 19 -4,-0.7 4,-2.1 -3,-0.3 -2,-0.2 0.756 113.5 44.8-105.8 -43.2 64.1 -24.9 108.7 96 114 A K H X S+ 0 0 126 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.938 117.6 46.7 -64.4 -48.3 66.2 -24.3 111.9 97 115 A R H X S+ 0 0 109 -4,-2.2 4,-2.9 2,-0.2 -3,-0.2 0.932 110.9 51.3 -60.9 -48.9 69.3 -23.6 109.8 98 116 A L H > S+ 0 0 3 1,-0.3 4,-3.2 -5,-0.3 -1,-0.2 0.910 111.3 47.6 -56.2 -46.9 67.4 -21.2 107.4 99 117 A N H X S+ 0 0 78 -4,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.819 109.5 55.2 -60.9 -32.3 66.1 -19.3 110.4 100 118 A T H X S+ 0 0 46 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.982 111.1 43.6 -63.7 -53.6 69.6 -19.3 111.7 101 119 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.943 112.1 53.6 -51.8 -55.5 70.8 -17.7 108.5 102 120 A L H X S+ 0 0 46 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.849 112.7 44.2 -49.8 -41.4 67.9 -15.3 108.4 103 121 A N H X S+ 0 0 109 -4,-1.9 4,-2.6 -3,-0.2 -1,-0.2 0.856 113.1 49.3 -75.7 -36.3 68.7 -14.1 111.9 104 122 A T H X S+ 0 0 54 -4,-2.1 4,-2.4 -3,-0.2 5,-0.2 0.898 108.5 51.5 -73.5 -45.3 72.5 -13.8 111.4 105 123 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.943 113.7 49.0 -51.4 -46.8 72.3 -11.8 108.2 106 124 A S H X S+ 0 0 32 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.952 112.0 44.9 -58.0 -55.0 69.9 -9.5 110.1 107 125 A T H X S+ 0 0 64 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.770 111.2 54.6 -67.2 -26.6 72.2 -9.1 113.2 108 126 A I H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.936 110.1 44.4 -71.3 -45.2 75.3 -8.6 111.0 109 127 A Y H < S+ 0 0 28 -4,-2.1 17,-0.2 -5,-0.2 -2,-0.2 0.837 117.9 47.4 -67.7 -30.4 73.7 -5.7 109.1 110 128 A S H < S+ 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.785 124.3 27.8 -81.8 -28.4 72.4 -4.3 112.3 111 129 A T H < S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.548 88.1 123.8-110.6 -12.1 75.6 -4.5 114.4 112 130 A G < + 0 0 12 -4,-2.3 14,-0.4 -5,-0.2 2,-0.3 -0.222 35.8 175.0 -53.9 134.8 78.2 -4.3 111.7 113 131 A K - 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0 0 114 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.952 55.3-114.9-111.5 131.5 62.0 -8.3 101.9 493 511 A S - 0 0 7 -2,-0.5 -54,-0.0 1,-0.1 -311,-0.0 -0.239 25.7-161.8 -50.7 146.2 60.8 -8.2 98.3 494 512 A F > + 0 0 0 2,-0.1 3,-1.0 -59,-0.1 4,-0.3 0.545 69.8 83.4-117.5 -12.8 62.1 -4.9 96.8 495 513 A I T >> S+ 0 0 4 1,-0.2 3,-2.3 2,-0.2 4,-1.9 0.801 72.6 79.3 -66.3 -28.0 59.8 -4.4 93.7 496 514 A R H 3> S+ 0 0 59 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.882 86.1 62.6 -44.0 -38.8 57.0 -2.9 95.8 497 515 A Y H <> S+ 0 0 51 -3,-1.0 4,-0.9 1,-0.2 -1,-0.3 0.801 109.1 39.9 -60.5 -25.6 59.1 0.3 95.7 498 516 A Y H <> S+ 0 0 0 -3,-2.3 4,-2.2 -4,-0.3 5,-0.2 0.949 116.9 44.9 -85.1 -58.0 58.7 0.5 91.9 499 517 A T H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.905 116.4 47.8 -59.2 -46.1 55.1 -0.6 91.5 500 518 A R H X S+ 0 0 38 -4,-2.5 4,-3.3 -5,-0.3 5,-0.3 0.964 104.8 59.7 -49.7 -56.9 54.0 1.7 94.3 501 519 A T H X S+ 0 0 4 -4,-0.9 4,-0.9 -5,-0.4 -2,-0.2 0.878 113.3 38.3 -48.8 -44.0 55.9 4.6 92.9 502 520 A L H >X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 3,-1.0 0.951 112.7 56.7 -68.9 -49.6 53.8 4.3 89.7 503 521 A Y H 3X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.3 -2,-0.2 0.908 103.2 56.0 -44.3 -49.4 50.6 3.5 91.6 504 522 A Q H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 -1,-0.3 0.807 109.0 45.0 -63.3 -31.6 50.9 6.7 93.5 505 523 A F H S+ 0 0 5 -4,-3.2 5,-2.0 -5,-0.3 -2,-0.2 0.815 110.7 52.4 -72.7 -33.3 43.2 15.5 90.8 513 531 A Q H ><5S+ 0 0 126 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 0.945 107.7 51.2 -62.3 -50.4 41.1 14.9 87.7 514 532 A A T 3<5S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.702 110.5 53.3 -55.5 -19.3 38.2 14.0 90.0 515 533 A A T 3 5S- 0 0 22 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.2 0.196 108.6-120.8-112.5 11.7 39.0 17.2 91.8 516 534 A K T < 5 + 0 0 69 -3,-1.9 -3,-0.2 1,-0.2 494,-0.2 0.623 45.9 175.0 62.5 19.5 38.9 19.6 88.8 517 535 A H < - 0 0 48 -5,-2.0 -1,-0.2 1,-0.1 7,-0.1 -0.382 14.2-164.0 -64.0 130.1 42.5 20.7 89.3 518 536 A E + 0 0 131 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.915 54.8 53.8 -87.0 -49.7 43.6 23.1 86.5 519 537 A G S S- 0 0 47 1,-0.2 2,-0.1 4,-0.1 5,-0.1 0.416 103.6 -33.6 -74.7-155.9 47.5 23.5 86.4 520 538 A P > - 0 0 52 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.437 62.5-114.3 -61.8 143.1 50.4 21.0 86.2 521 539 A L G > S+ 0 0 24 1,-0.3 3,-0.7 47,-0.2 48,-0.1 0.642 111.2 67.5 -51.4 -18.2 49.7 17.8 88.1 522 540 A H G 3 S+ 0 0 7 1,-0.2 -1,-0.3 47,-0.2 47,-0.1 0.600 94.6 52.2 -86.9 -12.2 52.4 18.7 90.6 523 541 A K G < S+ 0 0 35 -3,-2.3 -125,-0.3 -127,-0.1 -1,-0.2 0.390 85.9 131.8 -98.5 2.8 50.7 21.7 92.1 524 542 A c < - 0 0 2 -3,-0.7 2,-0.3 -4,-0.3 -128,-0.2 -0.013 34.6-174.5 -60.3 152.1 47.5 19.6 92.8 525 543 A D - 0 0 13 -13,-0.1 -132,-0.0 2,-0.1 -131,-0.0 -0.868 15.9-168.8-151.5 114.7 45.7 19.5 96.1 526 544 A I > + 0 0 2 -2,-0.3 3,-2.2 2,-0.1 7,-0.2 0.548 49.2 129.3 -81.9 -6.2 42.8 17.2 96.7 527 545 A S T 3 S+ 0 0 23 1,-0.3 -2,-0.1 -134,-0.1 -230,-0.1 -0.173 74.8 13.7 -49.5 136.5 42.1 19.1 99.9 528 546 A N T 3 S+ 0 0 127 -232,-0.4 2,-1.0 1,-0.1 -1,-0.3 0.350 96.3 117.8 73.6 -2.1 38.4 20.1 100.2 529 547 A S X> + 0 0 15 -3,-2.2 3,-1.6 1,-0.2 4,-1.3 -0.702 37.0 177.7-100.0 88.9 37.4 17.8 97.3 530 548 A T H 3> S+ 0 0 84 -2,-1.0 4,-2.4 1,-0.3 5,-0.2 0.867 78.1 62.2 -59.7 -41.9 34.9 15.2 98.7 531 549 A E H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.701 101.9 54.6 -55.4 -24.0 34.4 13.5 95.4 532 550 A A H <> S+ 0 0 0 -3,-1.6 4,-3.0 2,-0.2 5,-0.2 0.944 106.4 49.9 -70.2 -53.6 38.1 12.6 95.4 533 551 A G H X S+ 0 0 2 -4,-1.3 4,-4.2 1,-0.2 5,-0.2 0.899 111.1 49.7 -48.5 -47.6 37.7 11.0 98.8 534 552 A Q H X S+ 0 0 119 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.914 110.6 49.1 -59.4 -44.9 34.7 9.0 97.5 535 553 A K H < S+ 0 0 60 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.881 118.7 40.8 -65.1 -36.6 36.8 7.9 94.4 536 554 A L H >X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 3,-1.2 0.896 110.7 55.2 -74.2 -44.6 39.6 6.9 96.8 537 555 A F H 3X S+ 0 0 64 -4,-4.2 4,-2.7 1,-0.3 -2,-0.2 0.815 94.5 71.6 -62.3 -30.1 37.4 5.4 99.5 538 556 A N H 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.858 114.3 24.2 -54.5 -37.7 35.9 3.1 96.8 539 557 A M H X> S+ 0 0 1 -3,-1.2 3,-1.1 -4,-0.5 4,-0.6 0.704 115.4 66.6 -96.8 -23.1 39.2 1.2 96.8 540 558 A L H >< S+ 0 0 2 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.921 100.5 51.1 -62.1 -40.8 40.3 2.2 100.3 541 559 A R T 3< S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.507 97.0 72.3 -73.7 -7.4 37.4 0.1 101.8 542 560 A L T X4 + 0 0 8 -3,-1.1 3,-1.8 -5,-0.2 -1,-0.2 0.842 68.1 175.8 -78.4 -33.3 38.3 -3.0 99.7 543 561 A G T << S- 0 0 0 -3,-0.7 3,-0.4 -4,-0.6 -168,-0.2 -0.296 73.6 -31.2 52.4-146.6 41.4 -4.1 101.5 544 562 A K T 3 S+ 0 0 65 -170,-2.1 -1,-0.2 1,-0.2 -169,-0.1 0.288 116.4 108.3 -77.6 8.2 42.8 -7.3 100.2 545 563 A S S < S+ 0 0 16 -3,-1.8 -1,-0.2 -171,-0.4 -2,-0.1 0.900 78.4 22.4 -57.6 -58.5 39.2 -8.2 99.4 546 564 A E S S- 0 0 68 -3,-0.4 5,-0.1 1,-0.1 -4,-0.0 -0.833 104.8 -73.8-113.3 154.0 39.0 -7.9 95.6 547 565 A P >> - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.117 40.4-120.1 -49.6 136.7 41.9 -8.2 93.1 548 566 A W H 3> S+ 0 0 7 -170,-0.3 4,-2.8 1,-0.3 5,-0.2 0.761 111.9 65.2 -51.9 -29.7 44.3 -5.2 92.9 549 567 A T H 3> S+ 0 0 1 -352,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.950 108.7 37.2 -57.7 -50.3 43.4 -4.8 89.3 550 568 A L H <> S+ 0 0 26 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.897 113.7 57.8 -68.0 -41.5 39.8 -4.0 90.2 551 569 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.882 111.6 42.4 -53.4 -41.2 41.0 -2.0 93.2 552 570 A L H >X>S+ 0 0 0 -4,-2.8 4,-3.3 -5,-0.2 3,-1.8 0.938 109.7 55.4 -71.9 -47.7 43.0 0.1 90.9 553 571 A E H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.770 99.7 64.8 -56.5 -27.9 40.3 0.4 88.2 554 572 A N T 3<5S+ 0 0 47 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.801 117.2 23.7 -62.0 -32.6 38.1 1.8 91.1 555 573 A V T <45S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.1 0.807 138.1 25.6-104.7 -43.7 40.3 4.8 91.5 556 574 A V T <5S- 0 0 28 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.1 0.833 94.3-124.9 -92.0 -35.9 42.0 5.3 88.1 557 575 A G S S+ 0 0 0 -2,-0.4 4,-1.7 1,-0.2 3,-0.3 0.541 74.8 90.8 -80.4 -8.6 53.7 4.8 83.8 564 582 A R H > S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 82.5 50.9 -62.9 -46.7 52.1 7.7 81.9 565 583 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.866 106.8 57.3 -56.4 -36.8 50.9 9.6 84.9 566 584 A L H > S+ 0 0 0 -4,-0.3 4,-1.3 -3,-0.3 -2,-0.2 0.920 108.5 44.8 -58.1 -48.9 54.4 9.4 86.4 567 585 A L H < S+ 0 0 38 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.953 108.4 59.2 -58.2 -50.0 55.9 11.1 83.3 568 586 A N H >< S+ 0 0 67 -4,-2.4 3,-1.1 1,-0.3 -47,-0.2 0.836 101.8 53.5 -47.2 -44.4 53.1 13.7 83.4 569 587 A Y H 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.2 -47,-0.2 0.937 116.6 37.8 -57.4 -48.3 54.1 14.8 86.9 570 588 A F T 3X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.5 3,-0.3 0.180 85.7 110.7 -92.1 15.0 57.7 15.4 85.8 571 589 A E H <> S+ 0 0 82 -3,-1.1 4,-1.2 -4,-0.3 -1,-0.2 0.859 75.8 48.6 -60.7 -40.8 56.8 16.8 82.4 572 590 A P H > S+ 0 0 46 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.774 114.1 47.6 -75.1 -21.1 57.9 20.4 83.0 573 591 A L H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.870 105.9 59.3 -77.5 -40.1 61.2 19.2 84.4 574 592 A F H X S+ 0 0 31 -4,-2.5 4,-1.9 2,-0.2 -1,-0.1 0.798 106.3 47.4 -57.1 -33.9 61.7 16.8 81.4 575 593 A T H X S+ 0 0 72 -4,-1.2 4,-1.7 2,-0.2 5,-0.2 0.968 111.3 49.0 -74.1 -53.1 61.6 19.7 79.0 576 594 A W H X S+ 0 0 39 -4,-1.2 4,-3.6 1,-0.2 3,-0.4 0.924 111.9 51.9 -46.4 -53.8 64.0 21.9 80.9 577 595 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.900 105.4 52.5 -47.5 -55.0 66.3 18.8 81.1 578 596 A K H < S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.3 40.5 -56.7 -33.5 66.3 18.2 77.4 579 597 A D H >< S+ 0 0 82 -4,-1.7 3,-2.0 -3,-0.4 -2,-0.2 0.884 111.4 53.6 -84.2 -43.9 67.3 21.8 76.8 580 598 A Q H 3< S+ 0 0 90 -4,-3.6 3,-0.4 1,-0.3 -2,-0.2 0.801 109.9 51.9 -57.6 -28.2 69.8 22.0 79.7 581 599 A N T >< S+ 0 0 9 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.3 0.297 72.9 121.6 -94.0 8.5 71.4 19.0 78.2 582 600 A K T < S+ 0 0 135 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.813 91.8 18.9 -34.9 -49.0 71.6 20.7 74.7 583 601 A N T 3 S+ 0 0 162 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.3 0.096 108.5 98.0-117.6 20.4 75.4 20.3 74.7 584 602 A S S < S- 0 0 50 -3,-2.1 2,-0.2 -343,-0.0 -359,-0.1 -0.805 80.0-106.9-102.2 151.2 75.8 17.6 77.3 585 603 A F - 0 0 108 -345,-0.3 2,-0.5 -2,-0.3 -2,-0.1 -0.571 30.6-154.1 -72.3 138.2 76.2 13.9 76.5 586 604 A V + 0 0 41 -2,-0.2 2,-0.2 2,-0.0 -365,-0.1 -0.954 60.4 23.0-121.9 113.4 73.1 11.9 77.3 587 605 A G S S- 0 0 9 -2,-0.5 2,-0.3 -367,-0.4 -2,-0.0 -0.742 79.6-102.6 122.4-177.4 73.6 8.2 78.1 588 606 A W - 0 0 49 -2,-0.2 2,-0.5 -123,-0.1 -346,-0.2 -0.978 9.8-118.6-145.3 159.4 76.7 6.4 79.4 589 607 A S - 0 0 38 -348,-1.8 -346,-0.5 -2,-0.3 3,-0.1 -0.862 15.2-156.6 -91.4 129.0 79.6 4.1 78.5 590 608 A T S S+ 0 0 61 -2,-0.5 -1,-0.1 1,-0.2 -125,-0.1 0.504 88.1 63.7 -74.4 -6.6 79.6 0.8 80.4 591 609 A D S S+ 0 0 136 -127,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.870 78.8 85.0 -92.9 -36.9 83.3 0.5 79.9 592 610 A W + 0 0 71 -351,-0.1 -349,-0.5 -3,-0.1 -353,-0.0 -0.451 52.4 177.3 -69.3 132.9 84.8 3.5 81.8 593 611 A S - 0 0 10 -2,-0.2 4,-0.1 -351,-0.1 -2,-0.0 -0.923 36.1-123.5-130.0 160.4 85.5 3.1 85.5 594 612 A P S S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.769 114.7 46.1 -74.8 -26.9 87.1 5.4 88.0 595 613 A Y S S+ 0 0 61 -124,-0.4 2,-0.1 1,-0.2 -122,-0.1 0.642 94.8 179.6 -84.2 -17.9 89.9 3.0 89.1 596 614 A A 0 0 59 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.322 360.0 360.0 65.6-126.4 90.4 2.4 85.4 597 615 A D 0 0 187 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.287 360.0 360.0 69.5 360.0 93.2 -0.0 84.3 598 !* 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 0.0 599 19 B S 0 0 79 0, 0.0 907,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.9 51.2 28.1 18.8 600 20 B T - 0 0 92 1,-0.0 906,-0.0 0, 0.0 0, 0.0 0.822 360.0 -94.7 -79.8-116.3 49.0 25.2 20.0 601 21 B T S > S+ 0 0 36 66,-0.1 4,-2.2 3,-0.1 5,-0.2 0.483 115.7 52.3-138.7 -58.5 45.8 25.4 22.1 602 22 B E H > S+ 0 0 37 65,-0.2 4,-1.6 1,-0.2 66,-0.1 0.845 112.7 56.6 -52.1 -33.7 46.7 25.1 25.8 603 23 B E H > S+ 0 0 97 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.977 106.1 43.5 -57.9 -62.9 49.0 27.9 24.9 604 24 B L H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.766 110.8 59.0 -60.7 -28.1 46.5 30.4 23.4 605 25 B A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 99.4 55.2 -67.1 -46.9 44.2 29.6 26.4 606 26 B K H X S+ 0 0 68 -4,-1.6 4,-3.1 -3,-0.5 5,-0.2 0.957 106.9 49.5 -49.7 -61.9 46.7 30.7 29.1 607 27 B T H X S+ 0 0 15 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.857 110.8 50.8 -48.1 -47.2 47.2 34.2 27.6 608 28 B F H X S+ 0 0 12 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.937 112.5 45.7 -56.7 -51.4 43.4 34.7 27.4 609 29 B L H X S+ 0 0 5 -4,-2.5 4,-3.6 2,-0.2 -2,-0.2 0.958 110.3 53.7 -57.8 -52.3 42.9 33.7 31.0 610 30 B E H X S+ 0 0 70 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.911 113.2 44.4 -46.0 -48.5 45.8 35.9 32.1 611 31 B T H X S+ 0 0 28 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.953 112.7 49.8 -64.9 -51.9 44.1 38.8 30.3 612 32 B F H X S+ 0 0 1 -4,-3.2 4,-3.6 1,-0.2 -2,-0.2 0.920 110.9 53.2 -47.0 -52.9 40.7 38.0 31.7 613 33 B N H X S+ 0 0 27 -4,-3.6 4,-2.4 2,-0.2 -2,-0.2 0.922 108.9 44.6 -48.5 -59.3 42.3 37.8 35.2 614 34 B Y H X S+ 0 0 61 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.852 119.9 42.5 -64.7 -36.3 43.9 41.2 35.2 615 35 B E H X S+ 0 0 86 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.6 54.5 -71.0 -43.9 40.8 42.9 33.8 616 36 B A H X S+ 0 0 0 -4,-3.6 4,-3.6 -5,-0.3 5,-0.3 0.919 103.5 56.4 -56.6 -46.4 38.4 41.0 36.0 617 37 B Q H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.933 108.2 47.1 -51.0 -55.0 40.2 42.1 39.1 618 38 B E H X S+ 0 0 14 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.895 117.1 41.7 -55.3 -47.5 39.8 45.7 38.3 619 39 B L H X S+ 0 0 17 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.927 114.8 50.6 -69.3 -41.4 36.1 45.5 37.4 620 40 B S H X S+ 0 0 21 -4,-3.6 4,-1.6 2,-0.2 -2,-0.2 0.789 109.3 50.9 -70.1 -31.6 35.3 43.1 40.3 621 41 B Y H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.4 0.955 109.5 50.1 -66.7 -50.7 37.0 45.4 42.9 622 42 B Q H X S+ 0 0 62 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.798 110.3 52.7 -55.8 -33.0 35.1 48.5 41.6 623 43 B S H X S+ 0 0 20 -4,-1.5 4,-3.3 22,-0.2 -1,-0.2 0.887 113.6 41.3 -69.5 -41.7 31.9 46.4 41.9 624 44 B S H X S+ 0 0 22 -4,-1.6 4,-4.2 307,-0.3 5,-0.2 0.965 112.4 51.2 -74.4 -54.5 32.6 45.4 45.5 625 45 B V H X S+ 0 0 23 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.867 116.7 45.5 -51.1 -38.3 33.8 48.8 46.7 626 46 B A H X S+ 0 0 14 -4,-1.2 4,-1.6 -5,-0.4 3,-0.5 0.988 112.9 47.1 -61.1 -73.2 30.6 50.0 45.1 627 47 B S H X S+ 0 0 32 -4,-3.3 4,-2.0 15,-0.3 -2,-0.2 0.776 114.6 50.7 -35.6 -43.9 28.4 47.3 46.6 628 48 B W H X S+ 0 0 11 -4,-4.2 4,-0.8 2,-0.2 5,-0.3 0.954 103.4 54.2 -61.0 -58.3 30.0 48.0 50.0 629 49 B N H < S+ 0 0 76 -4,-2.0 4,-0.4 -3,-0.5 6,-0.3 0.741 111.2 49.7 -55.3 -26.1 29.6 51.7 50.2 630 50 B Y H >< S+ 0 0 58 -4,-1.6 3,-1.3 8,-0.2 -1,-0.2 0.943 107.1 51.4 -72.0 -53.6 25.9 51.1 49.6 631 51 B N H 3< S+ 0 0 30 -4,-2.0 292,-1.4 1,-0.3 -2,-0.2 0.478 120.0 37.5 -68.3 1.4 25.5 48.5 52.3 632 52 B T T 3< S+ 0 0 13 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.381 132.2 24.4-126.0 -6.6 27.1 50.9 54.8 633 53 B N < - 0 0 45 -3,-1.3 -1,-0.2 -4,-0.4 289,-0.2 -0.653 67.0-161.8-162.0 94.9 25.6 54.1 53.4 634 54 B I + 0 0 68 287,-1.9 5,-0.1 -2,-0.2 -4,-0.1 0.193 36.9 153.4 -77.5 21.4 22.2 53.6 51.6 635 55 B T > - 0 0 52 -6,-0.3 4,-1.7 286,-0.1 3,-0.2 0.070 56.5-115.4 -45.0 154.1 22.5 57.1 49.9 636 56 B E H > S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.880 116.9 50.5 -60.9 -43.2 20.8 57.8 46.5 637 57 B E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.749 109.3 53.4 -70.1 -21.4 24.1 58.3 44.8 638 58 B N H > S+ 0 0 23 2,-0.2 4,-3.1 -3,-0.2 -2,-0.2 0.847 103.8 52.0 -81.6 -39.4 25.4 55.0 46.2 639 59 B V H X S+ 0 0 44 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.838 111.5 52.5 -62.0 -33.5 22.5 52.8 44.9 640 60 B Q H >X S+ 0 0 104 -4,-1.3 4,-2.4 -5,-0.2 3,-0.5 0.996 113.5 39.4 -61.1 -65.5 23.3 54.5 41.6 641 61 B N H 3X S+ 0 0 93 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.876 111.5 57.8 -53.0 -46.0 27.0 53.6 41.7 642 62 B M H 3X S+ 0 0 54 -4,-3.1 4,-1.1 -16,-0.2 -15,-0.3 0.863 111.0 44.1 -54.6 -42.5 26.5 50.1 43.2 643 63 B N H X S+ 0 0 78 -4,-2.4 4,-2.5 1,-0.2 3,-1.5 0.910 111.7 38.9 -48.9 -64.3 26.6 50.8 37.6 645 65 B A H 3X S+ 0 0 21 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.857 114.6 56.2 -58.4 -38.4 29.9 48.9 38.5 646 66 B G H 3X S+ 0 0 17 -4,-1.1 4,-1.4 -5,-0.4 -1,-0.3 0.670 109.5 46.7 -67.3 -19.9 27.9 45.8 39.0 647 67 B D H S+ 0 0 13 -4,-0.4 4,-2.1 -5,-0.3 -2,-0.2 0.926 108.5 46.5 -56.4 -52.0 32.0 41.9 31.2 653 73 B L H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.840 114.1 50.1 -60.3 -34.7 31.7 38.3 32.4 654 74 B K H X S+ 0 0 105 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.927 110.8 47.7 -69.2 -47.3 29.0 37.8 29.8 655 75 B E H X S+ 0 0 112 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.807 119.4 41.9 -61.2 -30.5 31.1 39.3 27.1 656 76 B Q H X S+ 0 0 24 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.738 105.5 62.2 -90.2 -27.5 34.0 37.0 28.3 657 77 B S H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 3,-0.4 0.960 104.7 48.3 -62.1 -51.3 31.8 33.9 28.9 658 78 B T H >X S+ 0 0 70 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.959 112.7 48.4 -50.8 -55.2 31.0 33.8 25.2 659 79 B L H >< S+ 0 0 51 -4,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.734 105.2 60.5 -61.1 -24.8 34.7 34.2 24.3 660 80 B A H >< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.4 -1,-0.2 0.930 94.2 62.5 -65.8 -45.8 35.6 31.5 26.8 661 81 B Q H << S+ 0 0 85 -4,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.664 84.9 77.3 -54.2 -21.0 33.5 28.9 24.9 662 82 B M T << S+ 0 0 117 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.411 79.4 83.9 -74.1 4.1 35.8 29.3 21.9 663 83 B Y S < S- 0 0 25 -3,-1.7 2,-1.0 14,-0.1 -1,-0.1 -0.897 80.7-135.7-115.7 102.5 38.4 27.2 23.6 664 84 B P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.388 23.6-174.8 -55.7 94.5 37.9 23.4 23.3 665 85 B L S > S+ 0 0 39 -2,-1.0 2,-2.5 1,-0.2 3,-2.2 0.847 72.6 71.4 -66.4 -38.0 38.6 22.4 26.9 666 86 B Q T 3 S+ 0 0 171 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.365 95.5 56.1 -77.3 60.1 38.5 18.7 26.3 667 87 B E T 3 S+ 0 0 99 -2,-2.5 2,-0.4 -3,-0.1 -1,-0.3 0.091 85.2 101.2-170.0 1.7 41.8 19.0 24.5 668 88 B I < - 0 0 15 -3,-2.2 -1,-0.1 1,-0.1 6,-0.0 -0.897 49.0-168.6-109.5 131.5 43.7 20.6 27.3 669 89 B Q + 0 0 155 -2,-0.4 2,-0.7 -3,-0.1 -1,-0.1 0.435 66.1 84.0-102.9 -4.1 46.0 18.5 29.5 670 90 B N >> - 0 0 47 1,-0.1 4,-1.4 2,-0.0 3,-0.6 -0.908 60.9-162.4-100.6 112.0 46.7 21.0 32.3 671 91 B L H 3> S+ 0 0 127 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.788 83.2 67.1 -66.0 -29.8 43.8 20.7 34.9 672 92 B T H 3> S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 108.1 37.9 -56.4 -44.4 44.6 24.1 36.5 673 93 B V H <> S+ 0 0 11 -3,-0.6 4,-3.0 2,-0.2 -1,-0.2 0.812 110.3 60.2 -80.5 -32.2 43.6 26.0 33.3 674 94 B K H X S+ 0 0 54 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.919 105.3 47.7 -63.4 -46.8 40.7 23.8 32.4 675 95 B L H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 113.6 48.3 -58.3 -48.2 38.8 24.5 35.6 676 96 B Q H X S+ 0 0 12 -4,-1.2 4,-1.4 -5,-0.2 -2,-0.2 0.931 115.4 44.9 -54.5 -48.4 39.5 28.2 35.1 677 97 B L H X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.884 112.8 52.7 -61.3 -40.0 38.3 27.9 31.5 678 98 B Q H < S+ 0 0 92 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.870 106.6 50.3 -67.2 -41.9 35.3 25.8 32.7 679 99 B A H < S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.8 53.2 -66.2 -34.2 34.1 28.3 35.3 680 100 B L H < S+ 0 0 8 -4,-1.4 2,-2.0 -5,-0.2 -1,-0.2 0.797 91.4 78.5 -72.5 -30.9 34.2 31.0 32.7 681 101 B Q < + 0 0 39 -4,-1.4 2,-0.4 -21,-0.2 -1,-0.2 -0.619 68.0 133.7 -76.6 81.1 32.0 28.9 30.5 682 102 B Q - 0 0 128 -2,-2.0 -22,-0.1 -29,-0.2 -25,-0.1 -0.994 41.4-167.3-135.1 126.6 28.9 29.8 32.4 683 103 B N > + 0 0 77 -2,-0.4 3,-0.5 1,-0.2 4,-0.3 0.751 25.0 175.0 -89.8 -26.1 25.7 30.8 30.6 684 104 B G T 3 - 0 0 27 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.270 57.0 -41.6 64.2-135.1 23.8 32.2 33.7 685 105 B S T > S+ 0 0 45 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 0.535 117.1 83.9-111.5 -13.4 20.4 33.9 33.2 686 106 B S T < S+ 0 0 57 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.1 0.585 72.7 85.4 -64.4 -8.7 21.0 36.0 30.0 687 107 B V T 3 S+ 0 0 46 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.599 78.9 80.5 -67.0 -13.6 20.2 32.6 28.4 688 108 B L S < S- 0 0 21 -3,-2.0 5,-0.1 1,-0.2 -3,-0.0 -0.395 93.8 -92.1 -83.9 171.6 16.5 33.8 28.8 689 109 B S - 0 0 61 -2,-0.1 4,-0.2 1,-0.0 -1,-0.2 0.005 43.5 -89.6 -75.1-174.2 14.9 36.2 26.4 690 110 B E S >> S+ 0 0 158 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.948 121.9 32.6 -65.7 -55.0 14.7 40.0 26.6 691 111 B D H 3> S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.891 113.1 60.1 -72.4 -42.4 11.4 40.5 28.6 692 112 B K H 34 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.496 108.5 48.5 -66.1 -4.6 11.8 37.3 30.7 693 113 B S H <> S+ 0 0 27 -3,-0.7 4,-1.7 -4,-0.2 -1,-0.2 0.760 111.4 43.7-103.0 -38.2 15.1 38.8 32.0 694 114 B K H X S+ 0 0 138 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.904 116.9 49.7 -72.4 -39.3 14.0 42.3 33.0 695 115 B R H >X S+ 0 0 106 -4,-2.7 4,-2.8 2,-0.2 3,-0.8 0.929 109.4 48.8 -65.8 -49.2 10.9 40.8 34.6 696 116 B L H 3> S+ 0 0 3 -4,-0.4 4,-2.6 -5,-0.3 5,-0.2 0.957 111.7 50.6 -55.9 -50.5 12.7 38.2 36.6 697 117 B N H 3X S+ 0 0 74 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.679 110.4 50.8 -60.1 -18.9 15.1 40.8 37.8 698 118 B T H -F 717 0E 42 6,-1.6 3,-1.7 3,-0.7 6,-0.1 -0.300 15.0-138.3 -60.1 131.6 -0.4 47.4 66.2 715 135 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.820 113.2 46.3 -52.0 -31.1 -4.2 47.0 66.0 716 136 B D T 3 S+ 0 0 140 1,-0.2 -2,-0.1 4,-0.0 0, 0.0 0.264 122.7 35.6 -95.1 9.6 -4.2 49.1 69.2 717 137 B N E < -F 714 0E 54 -3,-1.7 -3,-0.7 3,-0.1 -1,-0.2 -0.540 53.5-176.6-166.0 89.0 -1.7 51.7 67.8 718 138 B P E S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.431 91.8 52.5 -66.5 -0.5 -1.7 52.8 64.0 719 139 B Q E S+ 0 0 163 1,-0.1 2,-0.7 -5,-0.1 -2,-0.0 0.757 92.2 73.9-102.9 -41.0 1.3 54.9 64.8 720 140 B E E + 0 0 87 -6,-0.1 -6,-1.6 -3,-0.1 2,-0.4 -0.693 63.9 170.2 -73.1 115.3 3.6 52.3 66.5 721 141 B d E -F 713 0E 48 -2,-0.7 2,-0.4 -8,-0.2 -8,-0.3 -0.957 19.1-148.6-123.0 149.7 4.9 50.1 63.7 722 142 B L E -F 712 0E 28 -10,-2.9 -10,-2.0 -2,-0.4 2,-0.2 -0.956 1.7-147.3-122.9 135.7 7.6 47.5 64.0 723 143 B L E > -F 711 0E 85 -2,-0.4 5,-2.9 -12,-0.2 6,-0.2 -0.527 34.2-107.5 -86.9 163.1 10.1 46.4 61.4 724 144 B L T >S+ 0 0 18 -14,-0.6 5,-3.3 -17,-0.2 6,-0.3 0.989 102.8 67.4 -51.4 -66.0 11.4 42.8 61.4 725 145 B E T 5S- 0 0 115 3,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.882 122.0 -10.0 -95.7 129.6 14.7 43.9 62.8 726 146 B P T >5S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.936 133.5 50.2 -88.5 -24.2 14.8 45.0 65.6 727 147 B G H >5S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 -3,-0.2 0.846 120.0 26.8 -46.3 -69.8 11.1 45.4 66.5 728 148 B L H >> - 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0 0 103 -2,-0.4 3,-1.8 1,-0.1 -22,-0.1 -0.084 49.2 -82.6 -65.4 178.9 -5.1 29.3 53.0 1075 495 B E T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -24,-0.1 -22,-0.1 0.165 116.9 82.5 -81.5 19.2 -3.2 29.8 49.8 1076 496 B T T 3 S+ 0 0 70 -319,-0.0 -319,-0.3 -318,-0.0 -1,-0.3 0.685 86.0 83.0 -76.5 -24.0 -3.2 33.6 50.0 1077 497 B Y < - 0 0 19 -3,-1.8 -23,-0.2 -320,-0.1 -323,-0.1 -0.332 54.8-176.2 -81.5 157.5 -0.2 32.9 52.3 1078 498 B C + 0 0 0 -329,-0.4 3,-0.4 -2,-0.1 4,-0.3 -0.554 11.9 170.6-151.4 73.7 3.4 32.3 51.4 1079 499 B D S > S+ 0 0 3 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.890 71.5 59.8 -65.9 -42.7 5.1 31.5 54.6 1080 500 B P G > S+ 0 0 2 0, 0.0 3,-2.5 0, 0.0 6,-0.4 0.910 97.6 62.1 -50.0 -40.8 8.5 30.3 53.2 1081 501 B A G 3 S+ 0 0 0 -3,-0.4 6,-0.3 1,-0.3 -2,-0.2 0.627 85.1 76.6 -63.9 -12.5 8.9 33.7 51.6 1082 502 B S G < S+ 0 0 0 -3,-2.3 2,-0.4 -4,-0.3 -1,-0.3 0.510 82.2 84.2 -72.1 -8.6 8.9 35.2 55.2 1083 503 B L S <> S- 0 0 5 -3,-2.5 4,-1.8 -4,-0.2 3,-0.4 -0.785 86.4-129.9 -91.7 142.6 12.4 33.9 55.4 1084 504 B F H > S+ 0 0 43 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.869 105.1 53.8 -54.1 -38.7 15.2 36.1 54.0 1085 505 B H H 4>S+ 0 0 19 2,-0.2 5,-2.8 1,-0.2 -1,-0.2 0.804 107.8 48.6 -76.0 -28.2 16.7 33.2 52.0 1086 506 B V H >45S+ 0 0 0 -3,-0.4 3,-1.4 -6,-0.4 -1,-0.2 0.981 118.7 36.7 -73.9 -56.2 13.5 32.3 50.2 1087 507 B S H 3<5S+ 0 0 1 -4,-1.8 -2,-0.2 -6,-0.3 -1,-0.2 0.589 118.4 51.4 -78.6 -12.4 12.5 35.8 49.1 1088 508 B N T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.052 113.6-115.6-110.6 23.2 16.1 36.9 48.5 1089 509 B D T < 5 + 0 0 33 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.886 59.6 147.3 55.8 61.1 16.9 33.8 46.3 1090 510 B Y < - 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