==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-JUN-06 2H8D . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS BERNACCHII; . AUTHOR L.MAZZARELLA,A.VERGARA,L.VITAGLIANO,A.MERLINO,G.BONOMI, . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 76.2 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 . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 5 3 0 0 1 3 0 0 2 2 2 4 0 2 4 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 70 0, 0.0 2,-0.4 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 156.8 10.1 3.0 2.2 2 2 A L - 0 0 26 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.761 360.0-146.9 -90.8 127.5 13.3 3.1 4.3 3 3 A S > - 0 0 53 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.266 33.9-101.8 -83.8 170.9 15.8 5.9 3.7 4 4 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 127.6 54.8 -62.4 -30.9 19.5 5.4 4.1 5 5 A K H > S+ 0 0 177 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 109.1 46.4 -65.5 -40.7 19.0 7.1 7.5 6 6 A D H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 111.5 51.3 -62.8 -45.9 16.4 4.6 8.5 7 7 A K H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 110.5 48.9 -61.1 -41.0 18.6 1.7 7.3 8 8 A A H X S+ 0 0 49 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.864 109.9 51.5 -68.3 -36.6 21.5 2.9 9.3 9 9 A A H X S+ 0 0 30 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.888 111.5 46.2 -68.1 -37.6 19.4 3.3 12.4 10 10 A V H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.936 114.4 48.2 -68.6 -42.6 18.0 -0.2 12.2 11 11 A R H X S+ 0 0 112 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.1 48.3 -63.6 -44.7 21.5 -1.6 11.6 12 12 A A H X S+ 0 0 48 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.911 114.6 46.5 -62.4 -41.7 23.0 0.3 14.5 13 13 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 3,-0.3 0.962 113.0 47.5 -64.5 -48.2 20.3 -0.8 16.8 14 14 A W H X S+ 0 0 44 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.824 106.8 58.6 -61.7 -31.9 20.4 -4.4 15.8 15 15 A S H < S+ 0 0 105 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.903 113.2 40.7 -59.2 -43.0 24.2 -4.3 16.1 16 16 A K H < S+ 0 0 125 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.856 128.9 25.6 -71.4 -44.1 23.5 -3.3 19.8 17 17 A I H >< S+ 0 0 1 -4,-2.5 3,-2.1 1,-0.1 -3,-0.2 0.550 90.9 95.0-106.6 -10.5 20.6 -5.7 20.6 18 18 A G G >< S+ 0 0 19 -4,-2.2 3,-2.0 -5,-0.3 4,-0.2 0.796 73.5 67.1 -59.8 -29.2 20.9 -8.7 18.3 19 19 A K G 3 S+ 0 0 211 1,-0.3 -1,-0.3 -4,-0.3 3,-0.3 0.766 102.8 50.6 -65.6 -15.8 22.7 -10.9 20.7 20 20 A S G <> S+ 0 0 47 -3,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.242 73.8 117.6-101.2 20.0 19.5 -10.9 22.8 21 21 A A H <> S+ 0 0 14 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.900 72.1 54.4 -48.8 -48.8 17.2 -11.8 19.9 22 22 A D H > S+ 0 0 83 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.913 112.6 43.5 -55.0 -48.4 16.1 -15.2 21.5 23 23 A A H > S+ 0 0 48 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.907 112.4 52.9 -60.7 -50.1 15.0 -13.3 24.7 24 24 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 110.0 49.3 -47.8 -48.8 13.4 -10.6 22.7 25 25 A G H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.867 110.8 48.4 -64.4 -44.3 11.4 -13.2 20.7 26 26 A N H X S+ 0 0 29 -4,-2.0 4,-2.5 -5,-0.2 26,-0.4 0.962 114.9 45.5 -58.4 -52.8 10.3 -15.0 23.9 27 27 A D H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 113.1 49.2 -58.9 -45.7 9.2 -11.8 25.5 28 28 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.923 114.0 43.0 -68.5 -40.2 7.4 -10.5 22.5 29 29 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.847 112.5 55.6 -71.6 -33.5 5.4 -13.6 21.7 30 30 A S H X S+ 0 0 10 -4,-2.5 4,-1.5 -5,-0.3 5,-0.3 0.923 111.4 43.3 -59.9 -47.7 4.6 -14.0 25.4 31 31 A R H X>S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 5,-0.6 0.924 110.4 57.8 -64.0 -42.6 3.2 -10.4 25.4 32 32 A M H X5S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 7,-0.3 0.896 109.9 40.8 -53.4 -49.8 1.4 -11.1 22.1 33 33 A I H <5S+ 0 0 4 -4,-2.2 -1,-0.2 2,-0.2 7,-0.2 0.700 119.3 45.3 -78.4 -22.7 -0.6 -14.1 23.4 34 34 A V H <5S+ 0 0 52 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.852 123.4 32.5 -79.3 -50.2 -1.4 -12.6 26.9 35 35 A V H <5S+ 0 0 25 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.869 132.7 33.2 -80.1 -32.1 -2.4 -9.1 25.7 36 36 A Y ><< + 0 0 42 -4,-2.0 3,-2.7 -5,-0.6 4,-0.3 -0.605 68.8 170.0-125.0 70.3 -3.9 -10.3 22.4 37 37 A P G > + 0 0 30 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.759 68.9 72.4 -61.4 -20.7 -5.3 -13.7 23.1 38 38 A Q G > S+ 0 0 53 1,-0.3 3,-1.5 540,-0.2 4,-0.1 0.802 86.0 68.1 -64.3 -20.1 -7.1 -13.9 19.8 39 39 A T G X S+ 0 0 2 -3,-2.7 3,-1.8 -7,-0.3 -1,-0.3 0.744 79.9 79.0 -68.1 -17.8 -3.7 -14.4 18.3 40 40 A K G X S+ 0 0 54 -3,-1.8 3,-1.9 -4,-0.3 -1,-0.3 0.690 70.3 84.5 -65.6 -13.9 -3.6 -17.8 20.1 41 41 A T G X S+ 0 0 6 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.813 83.8 57.4 -54.4 -32.4 -5.8 -19.1 17.3 42 42 A Y G < S+ 0 0 23 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.567 105.4 50.5 -79.0 -6.0 -2.7 -19.8 15.2 43 43 A F G X + 0 0 22 -3,-1.9 3,-2.1 -4,-0.2 -1,-0.2 0.209 67.3 119.0-118.5 20.9 -1.2 -22.0 17.8 44 44 A S T < S+ 0 0 55 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.622 72.1 62.7 -57.5 -21.7 -4.1 -24.4 18.5 45 45 A H T 3 S+ 0 0 134 -3,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.581 84.6 94.7 -84.3 -12.2 -1.9 -27.3 17.3 46 46 A W S < S- 0 0 35 -3,-2.1 3,-0.1 1,-0.1 -3,-0.0 -0.437 91.9-110.6 -74.9 155.0 0.6 -26.7 20.1 47 47 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 96.2 -24.5 -51.6 -36.2 0.3 -28.8 23.4 48 48 A D - 0 0 66 -5,-0.1 2,-0.3 2,-0.1 -2,-0.0 -0.927 58.4-125.9-160.2 178.1 -0.6 -25.5 24.9 49 49 A V + 0 0 29 -2,-0.3 -9,-0.1 -3,-0.1 -6,-0.0 -0.749 48.9 137.1-140.1 90.9 -0.2 -21.7 24.4 50 50 A T > - 0 0 70 -2,-0.3 3,-1.7 -16,-0.0 6,-0.3 -0.993 56.9 -84.4-141.9 145.1 1.2 -19.9 27.5 51 51 A P T 3 S+ 0 0 73 0, 0.0 -24,-0.1 0, 0.0 -25,-0.0 -0.025 107.4 4.6 -51.5 140.2 3.9 -17.3 28.1 52 52 A G T 3 S+ 0 0 31 -26,-0.4 -25,-0.1 1,-0.2 -26,-0.1 0.558 90.2 151.0 62.4 8.8 7.5 -18.3 28.3 53 53 A S <> - 0 0 8 -3,-1.7 4,-3.2 1,-0.1 5,-0.2 -0.137 63.3-106.8 -63.7 165.2 6.7 -21.9 27.5 54 54 A P H > S+ 0 0 102 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.910 123.7 50.7 -59.5 -36.0 9.3 -24.0 25.7 55 55 A H H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 112.3 44.8 -70.5 -37.8 7.2 -23.7 22.6 56 56 A I H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.890 112.7 53.2 -69.5 -36.9 6.9 -20.0 22.9 57 57 A K H X S+ 0 0 97 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.953 112.5 42.8 -62.6 -47.2 10.6 -19.8 23.6 58 58 A A H X S+ 0 0 44 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.854 113.0 52.5 -66.4 -35.3 11.5 -21.8 20.5 59 59 A H H X S+ 0 0 43 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.871 105.5 55.7 -68.2 -34.3 9.0 -19.9 18.4 60 60 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.890 104.9 52.9 -64.4 -37.5 10.6 -16.6 19.6 61 61 A K H X S+ 0 0 105 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.935 111.7 45.7 -58.0 -49.4 14.0 -17.8 18.4 62 62 A K H X S+ 0 0 155 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.908 113.5 48.9 -63.2 -47.8 12.5 -18.5 14.9 63 63 A V H X S+ 0 0 35 -4,-2.9 4,-1.6 1,-0.2 3,-0.2 0.946 113.7 43.4 -62.8 -48.6 10.6 -15.2 14.7 64 64 A M H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.794 107.1 62.2 -71.8 -21.6 13.5 -13.0 15.7 65 65 A G H X S+ 0 0 41 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.848 103.5 51.3 -60.7 -41.0 15.7 -15.1 13.4 66 66 A G H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.874 107.7 50.6 -61.6 -39.0 13.4 -13.8 10.7 67 67 A I H X S+ 0 0 16 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.906 108.4 51.9 -68.1 -39.0 13.9 -10.2 11.9 68 68 A A H X S+ 0 0 36 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 110.0 50.0 -62.2 -39.7 17.7 -10.8 11.7 69 69 A L H X S+ 0 0 65 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.915 110.1 50.5 -59.3 -49.9 17.2 -12.0 8.1 70 70 A A H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 107.4 53.1 -59.9 -40.4 15.1 -8.9 7.4 71 71 A V H >< S+ 0 0 14 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.944 111.4 45.4 -60.2 -45.0 17.9 -6.7 8.8 72 72 A S H 3< S+ 0 0 76 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.788 119.7 42.9 -66.9 -25.2 20.4 -8.3 6.5 73 73 A K T >< S+ 0 0 97 -4,-1.9 3,-2.4 1,-0.2 7,-0.3 0.152 76.5 124.8-104.2 19.4 17.9 -8.0 3.6 74 74 A I T < + 0 0 7 -3,-1.3 3,-0.5 1,-0.3 -72,-0.2 0.733 65.0 62.5 -58.8 -24.2 16.8 -4.5 4.5 75 75 A D T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.678 124.3 13.6 -78.8 -12.8 17.6 -3.1 1.0 76 76 A D <> + 0 0 79 -3,-2.4 4,-2.8 -6,-0.2 -1,-0.3 -0.535 66.5 168.6-158.0 79.3 15.0 -5.4 -0.6 77 77 A L H > S+ 0 0 20 -3,-0.5 4,-2.9 2,-0.2 5,-0.1 0.872 76.7 62.4 -65.9 -33.2 12.7 -6.9 1.9 78 78 A K H 4 S+ 0 0 79 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.970 113.8 32.8 -53.4 -54.4 10.3 -8.1 -0.8 79 79 A T H >4 S+ 0 0 85 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.944 117.3 56.0 -66.9 -44.8 12.9 -10.3 -2.2 80 80 A G H 3< S+ 0 0 20 -4,-2.8 3,-0.3 -7,-0.3 -2,-0.2 0.845 116.3 34.2 -59.1 -37.7 14.7 -11.1 1.0 81 81 A L T 3X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.299 81.3 111.9-107.2 15.9 11.5 -12.5 2.8 82 82 A M H <> S+ 0 0 53 -3,-1.0 4,-2.6 -4,-0.4 5,-0.2 0.879 78.3 50.0 -55.8 -42.7 9.7 -14.1 -0.1 83 83 A E H > S+ 0 0 174 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.910 113.3 46.2 -65.3 -41.4 10.2 -17.7 1.1 84 84 A L H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.862 110.3 55.0 -64.8 -41.7 8.9 -16.7 4.6 85 85 A S H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.947 106.2 50.3 -59.3 -45.0 6.0 -14.9 2.9 86 86 A E H X>S+ 0 0 76 -4,-2.6 4,-2.6 -5,-0.2 5,-0.7 0.900 109.8 52.6 -63.7 -32.5 5.0 -18.0 0.9 87 87 A Q H <>S+ 0 0 82 -4,-1.5 5,-2.3 2,-0.2 4,-0.4 0.938 112.6 42.3 -66.7 -45.5 5.0 -20.0 4.2 88 88 A H H <>S+ 0 0 41 -4,-2.4 6,-1.5 3,-0.2 5,-0.9 0.879 118.0 49.4 -69.6 -33.7 2.8 -17.5 6.0 89 89 A A H <5S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.974 126.6 15.0 -68.6 -59.7 0.5 -17.2 2.9 90 90 A Y T <5S+ 0 0 81 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.954 133.1 33.5 -89.6 -52.0 -0.1 -20.8 2.0 91 91 A K T - 0 0 2 -2,-0.6 3,-2.4 1,-0.2 4,-0.4 -0.345 18.9-129.5 -58.9 129.3 -4.0 -12.7 8.7 96 96 A P T >> S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 4,-0.8 0.767 101.1 76.1 -55.1 -28.1 -1.7 -9.7 8.1 97 97 A A H >> S+ 0 0 26 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.829 87.8 61.7 -52.3 -30.0 -3.4 -7.8 10.9 98 98 A N H <> S+ 0 0 11 -3,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.772 91.6 63.1 -73.9 -21.5 -1.4 -10.0 13.4 99 99 A F H <> S+ 0 0 20 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.2 0.879 101.5 53.5 -65.8 -34.7 1.9 -8.8 12.2 100 100 A K H - 0 0 53 -2,-2.1 4,-2.6 -3,-0.1 5,-0.1 -0.218 54.0-100.5 -68.7 167.4 15.6 6.5 21.3 120 120 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.854 126.9 52.3 -58.0 -34.2 12.6 8.2 19.5 121 121 A E H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.873 109.6 47.2 -72.5 -37.8 14.8 8.3 16.4 122 122 A A H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 112.1 53.2 -61.8 -41.3 15.5 4.6 16.7 123 123 A H H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.916 105.6 50.2 -63.9 -45.4 11.8 4.0 17.2 124 124 A V H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.928 115.6 44.2 -64.0 -41.6 10.6 5.9 14.1 125 125 A S H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.922 113.9 47.3 -70.3 -42.8 13.1 4.0 12.0 126 126 A L H X S+ 0 0 11 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.860 110.9 53.3 -66.5 -29.9 12.5 0.6 13.4 127 127 A D H X S+ 0 0 16 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.935 109.6 47.4 -67.2 -44.6 8.7 1.1 13.2 128 128 A K H X S+ 0 0 29 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.886 113.7 50.7 -59.5 -40.9 9.0 1.9 9.5 129 129 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 109.5 47.8 -62.0 -49.6 11.2 -1.1 9.2 130 130 A L H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.856 109.9 53.2 -65.9 -33.3 8.8 -3.5 10.9 131 131 A S H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.889 109.2 50.0 -66.0 -36.1 5.9 -2.1 8.8 132 132 A G H X S+ 0 0 23 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.906 108.8 51.2 -64.9 -40.8 8.0 -2.9 5.8 133 133 A V H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.922 109.9 50.5 -59.8 -44.9 8.7 -6.4 7.1 134 134 A A H X S+ 0 0 17 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.920 111.8 47.1 -59.5 -44.6 4.9 -6.9 7.6 135 135 A L H < S+ 0 0 86 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.916 111.3 51.2 -64.7 -42.9 4.2 -5.8 4.0 136 136 A A H >< S+ 0 0 7 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.917 106.2 54.5 -61.7 -41.3 7.0 -8.0 2.7 137 137 A L H 3< S+ 0 0 18 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.818 107.0 52.1 -61.6 -26.2 5.5 -11.0 4.5 138 138 A A T >X S+ 0 0 23 -4,-1.2 3,-1.9 -3,-0.4 4,-0.6 0.478 80.2 102.3 -87.6 -0.0 2.2 -10.4 2.8 139 139 A E T <4 S+ 0 0 21 -3,-1.6 3,-0.3 -4,-0.3 -1,-0.2 0.861 85.4 39.3 -54.0 -40.2 3.8 -10.3 -0.6 140 140 A R T 34 S+ 0 0 92 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.380 93.0 94.9 -89.9 4.0 2.6 -13.8 -1.6 141 141 A Y T <4 0 0 10 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.1 0.936 360.0 360.0 -64.3 -49.7 -0.8 -13.5 0.0 142 142 A R < 0 0 69 -4,-0.6 325,-0.1 -3,-0.3 -1,-0.1 -0.839 360.0 360.0-158.5 360.0 -3.0 -12.4 -2.9 143 !* 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 0.0 144 1 B V 0 0 106 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 -15.9 -3.0 30.1 145 2 B E - 0 0 151 0, 0.0 2,-0.1 0, 0.0 77,-0.1 -0.912 360.0-144.7-137.6 106.0 -15.9 -4.9 33.4 146 3 B W - 0 0 19 -2,-0.3 2,-0.2 75,-0.1 3,-0.1 -0.301 3.8-136.2 -73.5 143.8 -12.8 -4.6 35.4 147 4 B T > - 0 0 68 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.667 26.6-115.6 -87.8 159.8 -11.2 -7.4 37.5 148 5 B D H > S+ 0 0 135 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 118.1 52.9 -56.3 -46.4 -10.0 -6.4 40.9 149 6 B K H > S+ 0 0 112 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.930 108.1 50.4 -57.7 -40.6 -6.4 -7.3 39.8 150 7 B E H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.972 110.1 49.4 -62.7 -46.7 -6.8 -5.0 36.8 151 8 B R H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.917 111.9 50.9 -52.8 -44.7 -8.0 -2.2 39.1 152 9 B S H X S+ 0 0 65 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.939 109.1 48.5 -59.6 -50.0 -5.0 -2.9 41.3 153 10 B I H X S+ 0 0 17 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.964 113.7 46.5 -59.1 -49.0 -2.5 -2.8 38.5 154 11 B I H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.922 112.7 49.1 -58.4 -41.8 -3.8 0.5 37.1 155 12 B S H X S+ 0 0 72 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.901 112.1 50.5 -65.2 -38.6 -4.0 2.1 40.5 156 13 B D H X S+ 0 0 82 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.957 110.3 48.0 -62.1 -56.9 -0.4 1.0 41.2 157 14 B I H X S+ 0 0 10 -4,-2.9 4,-0.8 1,-0.2 3,-0.2 0.934 115.2 46.0 -51.4 -46.5 1.0 2.4 37.9 158 15 B F H < S+ 0 0 16 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.870 105.1 59.5 -74.2 -25.6 -0.8 5.6 38.5 159 16 B S H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 116.0 35.0 -64.1 -37.4 0.3 6.0 42.1 160 17 B H H < S+ 0 0 132 -4,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.400 84.8 133.4 -96.4 -0.6 4.0 5.9 41.0 161 18 B M < - 0 0 14 -4,-0.8 2,-1.4 -3,-0.4 3,-0.2 -0.326 47.9-150.4 -58.7 115.3 3.6 7.7 37.7 162 19 B D >> - 0 0 80 -2,-0.3 4,-2.8 1,-0.2 3,-0.9 -0.711 20.8-178.1 -83.3 95.3 6.4 10.4 37.4 163 20 B Y H 3> S+ 0 0 35 -2,-1.4 4,-1.8 1,-0.3 -1,-0.2 0.843 74.0 57.5 -71.5 -32.5 4.2 12.6 35.2 164 21 B D H 34 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.2 44,-0.1 0.699 117.0 37.5 -68.6 -15.4 6.8 15.3 34.6 165 22 B D H <> S+ 0 0 49 -3,-0.9 4,-1.3 2,-0.1 -2,-0.2 0.868 121.5 39.4 -97.5 -50.8 9.0 12.6 33.2 166 23 B I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.848 109.2 60.9 -70.8 -38.5 6.6 10.4 31.3 167 24 B G H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.3 5,-0.3 0.953 108.2 39.4 -56.1 -59.7 4.4 13.1 29.9 168 25 B P H > S+ 0 0 23 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.885 116.2 52.9 -59.0 -41.6 7.0 15.0 27.8 169 26 B K H X S+ 0 0 104 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.894 110.2 47.4 -61.2 -48.7 8.6 11.8 26.7 170 27 B A H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.916 115.5 42.3 -65.7 -43.7 5.4 10.3 25.4 171 28 B L H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.872 115.9 49.5 -72.4 -38.3 4.2 13.3 23.5 172 29 B S H X S+ 0 0 8 -4,-2.6 4,-1.8 -5,-0.3 5,-0.3 0.945 111.9 48.7 -59.9 -47.1 7.6 14.0 22.1 173 30 B R H X S+ 0 0 26 -4,-2.6 4,-3.3 -5,-0.3 5,-0.4 0.946 111.6 50.1 -59.8 -43.3 7.9 10.4 21.0 174 31 B C H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 7,-0.3 0.927 109.3 50.6 -59.5 -46.1 4.5 10.6 19.4 175 32 B L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.746 117.7 41.1 -61.6 -28.0 5.4 13.8 17.5 176 33 B I H < S+ 0 0 17 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.831 120.9 38.3 -91.7 -38.6 8.5 12.1 16.2 177 34 B V H < S+ 0 0 0 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.825 132.6 27.6 -82.4 -28.9 7.2 8.6 15.4 178 35 B Y S >< S+ 0 0 21 -4,-2.6 3,-3.1 -5,-0.4 4,-0.2 -0.540 73.5 174.3-131.2 64.6 3.9 9.9 14.1 179 36 B P G > + 0 0 17 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.647 69.3 73.5 -58.8 -19.0 4.7 13.4 12.8 180 37 B W G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 205,-0.1 0.722 83.4 72.4 -66.5 -16.0 1.3 14.1 11.3 181 38 B T G X S+ 0 0 7 -3,-3.1 3,-1.1 -7,-0.3 -1,-0.3 0.680 77.8 77.4 -72.3 -10.6 0.1 14.5 15.0 182 39 B Q G X + 0 0 23 -3,-1.6 3,-1.9 -4,-0.2 -1,-0.3 0.596 64.2 99.3 -70.5 -5.3 2.0 17.8 15.0 183 40 B R G < S+ 0 0 58 -3,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.807 83.3 46.6 -50.1 -34.6 -1.0 19.2 13.0 184 41 B H G < S+ 0 0 50 -3,-1.1 3,-0.3 1,-0.2 -1,-0.3 0.517 102.2 63.7 -89.3 -8.0 -2.3 20.7 16.2 185 42 B F X + 0 0 25 -3,-1.9 3,-1.9 1,-0.2 -1,-0.2 -0.020 51.3 123.1-116.2 33.0 0.8 22.2 17.6 186 43 B S G > S+ 0 0 112 -3,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.739 79.4 56.3 -60.2 -26.0 1.9 25.0 15.2 187 44 B G G 3 S+ 0 0 73 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.340 87.7 80.3 -90.1 11.9 1.7 27.5 18.0 188 45 B F G < S- 0 0 47 -3,-1.9 14,-0.4 1,-0.4 2,-0.3 0.506 96.3-129.7 -91.9 -3.7 4.1 25.4 20.0 189 46 B G < + 0 0 49 -3,-0.7 -1,-0.4 -4,-0.1 2,-0.3 -0.659 64.6 19.9 92.0-148.2 7.1 26.8 18.2 190 47 B N + 0 0 101 -2,-0.3 -3,-0.0 1,-0.1 -4,-0.0 -0.466 50.3 146.3 -73.0 124.4 9.9 24.8 16.6 191 48 B L + 0 0 19 -2,-0.3 -1,-0.1 5,-0.0 6,-0.1 -0.086 28.0 129.0-132.4 19.7 9.3 21.1 15.8 192 49 B Y S S+ 0 0 157 2,-0.0 2,-0.3 4,-0.0 -2,-0.0 0.756 77.4 2.6 -64.6 -22.5 11.4 20.9 12.7 193 50 B N S >> S- 0 0 73 1,-0.1 4,-2.3 -3,-0.0 3,-0.6 -0.956 86.2 -86.6-154.3 170.3 13.3 17.8 13.9 194 51 B A H 3> S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.3 5,-0.3 0.837 123.9 52.1 -46.3 -44.8 13.6 15.3 16.8 195 52 B E H 3> S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.894 107.7 49.5 -68.9 -36.3 15.9 17.6 18.7 196 53 B A H <4 S+ 0 0 14 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.950 113.8 47.7 -65.6 -41.3 13.6 20.6 18.5 197 54 B I H >< S+ 0 0 3 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.941 111.3 47.7 -63.8 -47.6 10.7 18.5 19.7 198 55 B I H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 116.3 46.5 -65.2 -30.7 12.5 16.9 22.6 199 56 B G T 3< S+ 0 0 63 -4,-1.7 2,-0.9 -5,-0.3 -1,-0.3 0.396 85.7 113.8 -90.0 6.1 13.8 20.3 23.6 200 57 B N <> - 0 0 13 -3,-1.5 4,-2.1 -4,-0.2 3,-0.3 -0.664 48.2-166.1 -89.2 110.3 10.4 22.0 23.3 201 58 B A H > S+ 0 0 74 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.779 88.2 57.5 -64.6 -26.7 9.0 23.2 26.6 202 59 B N H > S+ 0 0 92 -14,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.904 108.2 46.3 -70.6 -37.0 5.5 23.8 25.2 203 60 B V H > S+ 0 0 0 -3,-0.3 4,-2.8 -15,-0.2 -2,-0.2 0.946 110.5 55.8 -67.4 -38.3 5.3 20.1 24.1 204 61 B A H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.952 109.4 43.3 -54.1 -57.5 6.6 19.1 27.5 205 62 B A H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.864 114.1 51.4 -59.6 -40.2 3.9 21.0 29.4 206 63 B H H X S+ 0 0 48 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.909 106.7 54.3 -67.4 -35.2 1.3 19.7 27.0 207 64 B G H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.925 108.0 49.2 -61.7 -43.1 2.5 16.1 27.5 208 65 B I H X S+ 0 0 37 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.942 111.3 50.9 -61.5 -41.6 2.1 16.4 31.2 209 66 B K H X S+ 0 0 141 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.935 109.6 48.0 -60.0 -50.9 -1.4 17.8 30.8 210 67 B V H < S+ 0 0 43 -4,-2.6 4,-0.4 2,-0.2 3,-0.3 0.925 112.4 50.2 -56.1 -43.6 -2.5 15.0 28.5 211 68 B L H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 4,-0.2 0.937 108.9 50.1 -63.5 -47.2 -1.1 12.4 30.9 212 69 B H H >< S+ 0 0 74 -4,-2.9 3,-1.4 1,-0.3 4,-0.5 0.687 96.1 74.5 -61.8 -20.4 -2.9 14.0 33.9 213 70 B G T 3< S+ 0 0 13 -4,-1.4 4,-0.4 -3,-0.3 -1,-0.3 0.695 88.0 60.9 -62.1 -18.4 -6.0 13.8 31.6 214 71 B L T X> S+ 0 0 12 -3,-1.8 4,-1.5 -4,-0.4 3,-0.9 0.754 83.9 81.4 -80.6 -15.9 -6.0 10.1 32.4 215 72 B D H <> S+ 0 0 27 -3,-1.4 4,-1.9 1,-0.3 3,-0.4 0.889 84.6 56.5 -58.0 -46.4 -6.4 10.7 36.1 216 73 B R H 34 S+ 0 0 108 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.786 105.6 53.1 -57.0 -28.7 -10.2 11.3 35.9 217 74 B G H X4 S+ 0 0 0 -3,-0.9 3,-1.5 -4,-0.4 -1,-0.2 0.904 105.4 51.9 -75.3 -35.0 -10.6 7.8 34.3 218 75 B V H >< S+ 0 0 37 -4,-1.5 3,-0.7 -3,-0.4 -2,-0.2 0.917 110.5 50.1 -63.1 -35.7 -8.7 6.1 37.1 219 76 B K T 3< S+ 0 0 165 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.415 121.5 34.4 -81.0 4.0 -11.0 7.8 39.6 220 77 B N T X + 0 0 64 -3,-1.5 3,-2.1 -5,-0.2 -1,-0.3 -0.240 66.4 158.3-151.4 49.0 -14.0 6.7 37.6 221 78 B M T < S+ 0 0 14 -3,-0.7 3,-0.3 1,-0.3 -75,-0.1 0.584 79.7 44.6 -64.8 -15.7 -13.3 3.2 36.1 222 79 B D T 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 0.388 118.7 43.5-107.3 1.2 -17.0 2.3 35.7 223 80 B N S <> S+ 0 0 85 -3,-2.1 4,-2.2 -6,-0.2 5,-0.2 -0.114 70.2 127.9-131.3 33.8 -17.9 5.6 34.2 224 81 B I H > + 0 0 6 -3,-0.3 4,-1.7 1,-0.2 5,-0.2 0.950 69.9 53.6 -67.1 -45.5 -15.1 6.4 31.8 225 82 B A H 4 S+ 0 0 38 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.905 115.7 40.4 -57.2 -40.3 -17.2 7.2 28.6 226 83 B A H >4 S+ 0 0 57 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.917 109.6 59.3 -74.6 -36.6 -19.3 9.8 30.5 227 84 B T H 3< S+ 0 0 35 -4,-2.2 4,-0.3 1,-0.3 3,-0.2 0.800 112.5 40.9 -58.4 -29.6 -16.4 11.2 32.4 228 85 B Y T 3X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.3 0.504 82.3 103.7-100.5 1.6 -14.7 12.1 29.1 229 86 B A H <> S+ 0 0 22 -3,-1.3 4,-2.7 -4,-0.4 5,-0.2 0.887 85.2 45.0 -54.1 -46.4 -17.7 13.3 27.1 230 87 B D H > S+ 0 0 139 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.896 113.1 49.9 -65.0 -41.1 -16.8 17.0 27.4 231 88 B L H > S+ 0 0 37 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.896 111.6 50.7 -60.8 -39.8 -13.1 16.3 26.6 232 89 B S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.962 110.6 47.3 -60.8 -53.0 -14.3 14.4 23.6 233 90 B T H X>S+ 0 0 32 -4,-2.7 4,-2.8 -5,-0.2 5,-0.6 0.893 111.1 53.7 -59.0 -36.1 -16.5 17.2 22.4 234 91 B L H X>S+ 0 0 58 -4,-2.2 4,-1.9 -5,-0.2 5,-1.8 0.972 109.5 46.0 -59.8 -52.7 -13.6 19.6 23.0 235 92 B H H <5S+ 0 0 37 -4,-2.7 6,-2.2 1,-0.2 5,-0.4 0.858 120.2 40.8 -64.1 -33.9 -11.3 17.6 20.8 236 93 B S H <5S+ 0 0 15 -4,-2.7 4,-0.3 4,-0.2 -2,-0.2 0.963 123.7 30.3 -76.9 -52.7 -13.9 17.2 18.1 237 94 B E H <5S+ 0 0 111 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.853 132.9 21.3 -86.1 -30.3 -15.5 20.6 17.9 238 95 B K T <> - 0 0 2 -2,-0.4 3,-2.7 1,-0.2 4,-0.5 -0.444 18.9-141.9 -61.7 115.7 -8.3 13.2 14.5 243 100 B P H >> S+ 0 0 21 0, 0.0 4,-0.8 0, 0.0 3,-0.8 0.749 96.4 70.1 -61.3 -17.7 -9.2 10.5 17.0 244 101 B D H 3> S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.821 88.7 66.9 -65.0 -22.9 -6.9 8.0 15.4 245 102 B N H <> S+ 0 0 11 -3,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.844 90.0 63.6 -63.6 -33.1 -4.1 10.2 16.8 246 103 B F H < S+ 0 0 53 -4,-3.1 3,-1.9 1,-0.2 -1,-0.2 0.804 83.7 176.4 -80.9 -24.5 9.3 0.2 34.5 262 119 B G G >< S+ 0 0 14 -4,-1.9 3,-2.1 -5,-0.4 -1,-0.2 -0.377 71.1 5.5 60.4-131.5 11.6 -2.2 32.6 263 120 B H G 3 S+ 0 0 179 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.721 125.6 67.7 -53.8 -28.8 11.2 -5.8 33.8 264 121 B A G < S+ 0 0 57 -3,-1.9 2,-2.4 1,-0.2 -1,-0.3 0.733 77.0 85.6 -71.7 -17.4 8.3 -4.7 36.1 265 122 B F S < S- 0 0 0 -3,-2.1 -1,-0.2 -7,-0.2 -153,-0.1 -0.434 72.7-179.2 -81.3 71.5 6.1 -3.9 33.0 266 123 B T > - 0 0 59 -2,-2.4 4,-2.7 1,-0.1 5,-0.2 -0.131 43.4-101.7 -68.3 169.6 5.0 -7.5 32.8 267 124 B A H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.888 125.2 49.9 -57.9 -40.7 2.7 -8.9 30.1 268 125 B E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.904 110.7 49.9 -66.8 -38.8 -0.2 -8.8 32.6 269 126 B T H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 111.3 48.5 -62.5 -44.7 0.6 -5.2 33.5 270 127 B Q H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.917 109.4 54.4 -60.8 -40.1 0.7 -4.2 29.8 271 128 B G H X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.965 113.4 40.7 -59.6 -51.1 -2.6 -6.0 29.3 272 129 B A H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.935 116.0 50.0 -65.7 -44.0 -4.3 -4.0 32.0 273 130 B F H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.942 113.0 44.6 -63.1 -47.4 -2.7 -0.7 31.1 274 131 B Q H X S+ 0 0 24 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.881 110.7 56.3 -65.7 -32.6 -3.5 -1.0 27.4 275 132 B K H X S+ 0 0 63 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.949 109.6 45.1 -62.6 -46.8 -7.1 -2.0 28.3 276 133 B F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.937 114.9 47.7 -58.6 -47.8 -7.5 1.1 30.3 277 134 B L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.874 110.9 51.8 -64.4 -38.6 -6.0 3.3 27.6 278 135 B A H X S+ 0 0 61 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.836 110.2 48.9 -65.3 -35.9 -8.2 1.6 25.0 279 136 B V H X S+ 0 0 32 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.899 112.7 47.6 -72.3 -35.7 -11.2 2.3 27.1 280 137 B V H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.0 51.5 -64.4 -44.8 -10.2 6.0 27.5 281 138 B V H X S+ 0 0 31 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.908 107.1 52.7 -65.2 -39.5 -9.5 6.4 23.8 282 139 B S H X S+ 0 0 86 -4,-2.0 4,-0.8 1,-0.2 3,-0.3 0.961 111.2 47.8 -54.9 -49.9 -12.9 5.0 22.9 283 140 B A H < S+ 0 0 2 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.862 108.3 53.9 -65.0 -34.9 -14.5 7.6 25.2 284 141 B L H < S+ 0 0 21 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.842 113.3 43.3 -68.4 -29.7 -12.4 10.4 23.8 285 142 B G H >< S+ 0 0 25 -4,-1.8 3,-1.0 -3,-0.3 -1,-0.2 0.537 91.8 91.7 -92.2 -1.8 -13.6 9.5 20.2 286 143 B K T 3< S+ 0 0 101 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.821 80.2 51.5 -60.7 -39.6 -17.3 9.0 21.3 287 144 B Q T 3 S+ 0 0 34 -4,-0.4 2,-0.9 -3,-0.3 -1,-0.2 0.026 72.6 123.0-100.4 35.0 -18.6 12.5 20.7 288 145 B Y < 0 0 15 -3,-1.0 40,-0.2 1,-0.2 -55,-0.1 -0.839 360.0 360.0 -94.2 106.2 -17.4 12.9 17.1 289 146 B H 0 0 138 -2,-0.9 -1,-0.2 38,-0.1 39,-0.1 0.456 360.0 360.0-111.1 360.0 -20.6 13.7 15.1 290 !* 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 0.0 291 1 C S 0 0 64 0, 0.0 2,-0.5 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 154.4 3.4 -5.4 -4.6 292 2 C L - 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0 0 18 -3,-1.3 4,-2.1 -4,-0.3 5,-0.1 -0.473 49.6-161.8 -70.1 120.0 -17.4 -24.6 -4.7 491 58 D A H > S+ 0 0 68 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.866 90.4 56.6 -65.8 -36.5 -20.7 -26.0 -3.2 492 59 D N H > S+ 0 0 81 -14,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.941 108.8 46.2 -69.3 -38.9 -19.2 -26.3 0.2 493 60 D V H > S+ 0 0 0 2,-0.2 4,-2.3 -15,-0.2 -1,-0.2 0.922 111.6 52.2 -65.2 -41.3 -18.3 -22.6 0.2 494 61 D A H X S+ 0 0 28 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.976 109.5 48.6 -62.0 -48.2 -21.7 -21.6 -1.0 495 62 D A H X S+ 0 0 62 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.909 111.5 49.9 -62.2 -34.7 -23.4 -23.6 1.7 496 63 D H H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.865 106.5 55.5 -72.4 -26.9 -21.2 -22.1 4.4 497 64 D G H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.871 107.6 48.9 -73.0 -27.1 -21.9 -18.6 3.1 498 65 D I H X S+ 0 0 35 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.915 110.3 52.2 -71.6 -41.1 -25.6 -19.1 3.5 499 66 D K H X S+ 0 0 139 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.941 109.2 48.5 -58.8 -48.2 -25.1 -20.5 7.0 500 67 D V H < S+ 0 0 41 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.928 110.3 51.6 -60.5 -40.2 -23.1 -17.4 8.1 501 68 D L H >< S+ 0 0 2 -4,-1.5 3,-1.6 -5,-0.2 4,-0.4 0.911 108.0 51.3 -66.2 -37.2 -25.7 -15.1 6.7 502 69 D H H >X S+ 0 0 86 -4,-2.1 3,-1.3 1,-0.3 4,-0.5 0.819 97.3 69.5 -68.1 -26.5 -28.4 -16.9 8.6 503 70 D G T 3< S+ 0 0 15 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.703 89.8 63.4 -61.7 -14.3 -26.3 -16.4 11.6 504 71 D L T X> S+ 0 0 12 -3,-1.6 4,-1.4 -4,-0.4 3,-0.9 0.718 83.1 79.4 -80.6 -23.8 -27.1 -12.7 11.4 505 72 D D H <> S+ 0 0 59 -3,-1.3 4,-2.0 -4,-0.4 5,-0.3 0.873 85.0 57.2 -52.3 -45.0 -30.8 -13.3 12.0 506 73 D R H 3X S+ 0 0 104 -4,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.867 105.3 52.2 -61.9 -29.0 -30.5 -13.7 15.7 507 74 D G H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.879 107.5 50.9 -72.6 -33.0 -28.9 -10.2 16.0 508 75 D V H >< S+ 0 0 38 -4,-1.4 3,-0.5 -3,-0.2 -2,-0.2 0.882 114.4 45.6 -65.7 -35.9 -31.7 -8.7 14.0 509 76 D K H 3< S+ 0 0 171 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.712 121.7 37.9 -75.3 -30.4 -34.1 -10.4 16.5 510 77 D N T >< + 0 0 63 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 -0.377 69.1 156.0-122.4 56.5 -32.1 -9.4 19.5 511 78 D M T < S+ 0 0 13 -3,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.672 75.9 41.5 -65.5 -23.9 -30.9 -5.8 18.7 512 79 D D T 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.394 120.5 43.3-101.4 4.4 -30.3 -4.6 22.3 513 80 D N <> + 0 0 90 -3,-1.7 4,-2.1 -6,-0.2 5,-0.2 -0.141 68.7 130.8-134.8 39.4 -28.8 -7.9 23.5 514 81 D I H > + 0 0 7 -3,-0.3 4,-2.2 1,-0.2 5,-0.1 0.902 68.5 56.8 -70.6 -39.3 -26.4 -8.9 20.7 515 82 D A H 4 S+ 0 0 36 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.957 113.4 41.9 -52.8 -49.1 -23.3 -9.5 22.8 516 83 D A H >4 S+ 0 0 55 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.892 110.5 56.0 -66.9 -39.2 -25.2 -12.1 24.9 517 84 D T H 3< S+ 0 0 35 -4,-2.1 3,-0.3 1,-0.3 4,-0.3 0.905 113.5 41.3 -59.9 -39.8 -26.9 -13.7 21.9 518 85 D Y T 3X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.425 85.9 101.6 -90.2 4.9 -23.6 -14.3 20.2 519 86 D A H <> S+ 0 0 21 -3,-1.1 4,-2.6 -4,-0.4 -1,-0.2 0.927 85.2 41.1 -60.3 -45.5 -21.7 -15.5 23.3 520 87 D D H > S+ 0 0 136 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.889 115.2 51.5 -73.9 -28.5 -21.9 -19.2 22.6 521 88 D L H > S+ 0 0 41 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.895 111.1 50.3 -67.2 -35.3 -21.2 -18.7 18.9 522 89 D S H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.923 108.7 50.9 -63.8 -44.0 -18.2 -16.7 20.0 523 90 D T H X S+ 0 0 42 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.880 110.5 49.6 -66.6 -30.8 -17.1 -19.4 22.3 524 91 D L H X>S+ 0 0 63 -4,-1.8 5,-2.3 2,-0.2 4,-2.0 0.876 108.5 51.1 -70.6 -44.0 -17.3 -21.9 19.5 525 92 D H H <>S+ 0 0 34 -4,-2.2 6,-2.2 3,-0.2 5,-1.0 0.889 118.6 39.1 -63.0 -41.4 -15.4 -19.9 16.9 526 93 D S H <5S+ 0 0 13 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.944 127.0 27.5 -75.4 -49.9 -12.6 -19.4 19.5 527 94 D E H <5S+ 0 0 119 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.785 133.3 25.3 -93.1 -22.9 -12.3 -22.8 21.2 528 95 D K T <5S+ 0 0 154 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.831 132.5 28.4-105.3 -47.5 -13.5 -25.2 18.7 529 96 D L T - 0 0 2 -2,-0.5 3,-1.4 1,-0.2 4,-0.3 -0.533 19.6-140.3 -59.3 124.3 -9.1 -15.5 13.9 533 100 D P T >> S+ 0 0 24 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.636 96.2 72.3 -69.4 -12.3 -11.7 -12.8 14.7 534 101 D D H >> S+ 0 0 50 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.897 87.8 65.9 -67.4 -29.2 -10.2 -10.3 12.3 535 102 D N H <> S+ 0 0 10 -3,-1.4 4,-2.6 1,-0.3 -1,-0.3 0.793 91.5 63.3 -58.6 -26.7 -11.6 -12.5 9.6 536 103 D F H <> S+ 0 0 21 -3,-0.8 4,-2.1 -4,-0.3 -1,-0.3 0.914 102.3 47.5 -65.8 -38.8 -15.0 -11.5 10.9 537 104 D K H < S- 0 0 60 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.729 86.6-173.0 -80.6 -20.4 -29.0 -2.7 -4.0 552 119 D G G >< - 0 0 17 -4,-1.5 3,-1.9 -5,-0.3 -1,-0.2 -0.377 68.2 -6.7 67.6-141.5 -27.4 -0.2 -6.3 553 120 D H G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.637 125.1 75.4 -74.2 -5.9 -28.1 3.5 -5.6 554 121 D A G < S+ 0 0 60 -3,-1.8 2,-2.2 1,-0.2 -1,-0.3 0.723 74.7 83.5 -69.2 -21.2 -30.6 2.3 -2.9 555 122 D F S < S- 0 0 0 -3,-1.9 -1,-0.2 -7,-0.3 -153,-0.1 -0.487 77.3-177.3 -77.8 69.6 -27.5 1.5 -0.8 556 123 D T > - 0 0 58 -2,-2.2 4,-2.6 1,-0.1 5,-0.2 -0.099 42.0-101.4 -67.4 170.4 -27.3 5.1 0.3 557 124 D A H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 126.8 47.4 -56.6 -46.1 -24.7 6.6 2.6 558 125 D E H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 110.8 52.1 -67.6 -33.1 -27.1 6.5 5.5 559 126 D T H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.930 108.6 49.3 -67.2 -42.6 -28.0 2.9 4.6 560 127 D Q H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.888 109.0 56.1 -60.6 -38.9 -24.4 1.8 4.5 561 128 D G H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.940 110.9 40.8 -58.9 -53.2 -23.9 3.5 7.9 562 129 D A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.928 116.5 49.4 -61.3 -45.4 -26.6 1.6 9.6 563 130 D F H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.950 113.5 45.1 -65.4 -45.5 -25.7 -1.7 8.0 564 131 D Q H X S+ 0 0 25 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.885 109.8 57.1 -64.6 -37.0 -22.0 -1.4 8.8 565 132 D K H X S+ 0 0 56 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.934 108.6 46.7 -56.6 -47.7 -23.0 -0.4 12.4 566 133 D F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.943 113.0 47.2 -59.9 -49.7 -25.0 -3.6 12.7 567 134 D L H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.924 110.2 54.5 -61.4 -38.5 -22.2 -5.8 11.4 568 135 D A H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.893 108.1 48.1 -63.0 -38.1 -19.7 -4.1 13.6 569 136 D V H X S+ 0 0 37 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.918 113.9 46.7 -72.6 -35.8 -21.7 -4.8 16.7 570 137 D V H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 111.6 52.3 -67.4 -40.0 -22.1 -8.4 15.8 571 138 D V H X S+ 0 0 24 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.897 107.1 51.5 -63.9 -37.7 -18.5 -8.7 14.9 572 139 D S H < S+ 0 0 84 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.951 111.7 48.9 -64.4 -40.4 -17.5 -7.3 18.3 573 140 D A H >X S+ 0 0 4 -4,-1.8 3,-1.6 1,-0.2 4,-0.5 0.921 106.3 53.7 -57.3 -51.8 -19.7 -9.9 19.9 574 141 D L H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.824 112.9 47.1 -58.0 -29.2 -18.3 -12.8 17.9 575 142 D G T >< S+ 0 0 27 -4,-1.5 3,-1.0 -5,-0.2 -1,-0.3 0.439 90.1 88.3 -90.1 -3.7 -14.9 -11.6 19.2 576 143 D K T <4 S+ 0 0 107 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.864 82.8 49.6 -69.9 -37.9 -15.9 -11.2 22.8 577 144 D Q T 3< S+ 0 0 40 -4,-0.5 2,-0.9 -3,-0.2 -1,-0.2 0.099 72.8 123.5 -94.6 26.2 -15.3 -14.7 24.2 578 145 D Y < 0 0 15 -3,-1.0 -540,-0.2 1,-0.2 -55,-0.1 -0.773 360.0 360.0 -87.0 106.2 -11.7 -15.1 22.8 579 146 D H 0 0 140 -2,-0.9 -1,-0.2 -542,-0.1 -541,-0.1 0.690 360.0 360.0-111.5 360.0 -9.8 -15.9 26.0