==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 10-JAN-05 1YHR . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.KAVANAUGH,P.H.ROGERS,A.ARNONE . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 80.0 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 . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 0 0 2 0 2 0 1 3 4 0 1 6 5 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 V 0 0 138 0, 0.0 127,-0.1 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 124.4 5.8 22.3 -2.0 2 2 A L - 0 0 18 71,-0.1 122,-0.0 125,-0.1 3,-0.0 -0.326 360.0-153.6 -51.0 137.2 5.5 25.1 0.5 3 3 A S > - 0 0 39 1,-0.1 4,-4.1 121,-0.0 5,-0.2 -0.599 29.6 -96.1-109.9 170.4 4.6 23.7 3.9 4 4 A P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.923 126.3 45.9 -54.7 -45.5 2.8 25.2 6.9 5 5 A A H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 114.1 49.5 -66.6 -43.5 6.1 26.2 8.6 6 6 A D H >> S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 3,-1.5 0.983 109.5 51.4 -48.8 -60.6 7.3 27.5 5.3 7 7 A K H 3X S+ 0 0 59 -4,-4.1 4,-1.5 1,-0.3 3,-0.2 0.871 113.2 45.1 -48.0 -50.0 4.0 29.5 4.9 8 8 A T H 3X S+ 0 0 96 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.738 109.1 56.2 -62.5 -33.8 4.4 30.9 8.3 9 9 A N H < S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.905 82.0 139.0 -52.5 -40.4 9.7 44.0 5.2 18 18 A G G >< + 0 0 42 -4,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.055 69.3 1.0 39.6-122.9 6.5 45.9 5.5 19 19 A A G > S+ 0 0 100 1,-0.3 3,-0.6 -3,-0.2 4,-0.3 0.711 123.8 67.1 -68.7 -24.1 6.6 49.4 4.1 20 20 A H G <> S+ 0 0 93 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.3 0.204 70.6 105.2 -82.9 15.0 10.2 49.2 2.9 21 21 A A H <> S+ 0 0 7 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.866 75.1 51.2 -67.0 -40.3 9.2 46.6 0.3 22 22 A G H <> S+ 0 0 10 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.926 112.1 49.5 -61.8 -45.8 9.4 48.9 -2.7 23 23 A E H > S+ 0 0 78 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.925 111.1 48.9 -54.0 -48.1 12.8 49.9 -1.6 24 24 A Y H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.833 109.3 53.1 -67.3 -32.3 13.9 46.3 -1.2 25 25 A G H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.822 110.7 45.5 -72.3 -31.2 12.6 45.4 -4.6 26 26 A A H X S+ 0 0 10 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.871 111.0 52.7 -81.4 -34.1 14.5 48.1 -6.2 27 27 A E H X S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.992 107.6 53.3 -62.7 -51.3 17.6 47.2 -4.3 28 28 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 108.9 48.6 -44.5 -51.6 17.0 43.7 -5.6 29 29 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.908 110.6 51.1 -59.0 -42.2 16.9 45.0 -9.2 30 30 A E H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.977 108.8 50.3 -58.2 -54.8 20.1 47.0 -8.7 31 31 A R H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.886 113.5 48.1 -51.8 -37.7 22.0 44.0 -7.3 32 32 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.946 110.8 46.8 -69.9 -47.5 20.8 41.9 -10.3 33 33 A F H < S+ 0 0 10 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.896 120.4 41.6 -65.3 -38.5 21.7 44.4 -13.0 34 34 A L H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.874 120.6 38.8 -75.0 -40.7 25.1 44.9 -11.4 35 35 A S H < S+ 0 0 15 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.666 131.8 24.4 -85.5 -15.8 25.9 41.3 -10.5 36 36 A F >< - 0 0 37 -4,-2.3 3,-1.8 -5,-0.2 4,-0.3 -0.537 63.5-180.0-149.7 77.1 24.4 39.8 -13.7 37 37 A P G >> S+ 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.753 72.0 79.0 -60.2 -27.2 24.3 42.1 -16.6 38 38 A T G >4 S+ 0 0 40 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.936 86.4 63.3 -48.1 -41.3 22.8 39.7 -19.0 39 39 A T G X4 S+ 0 0 2 -3,-1.8 3,-2.4 1,-0.3 -1,-0.3 0.848 85.1 75.1 -50.7 -33.7 19.5 40.4 -17.2 40 40 A K G X4 S+ 0 0 61 -3,-2.1 3,-2.6 -4,-0.3 -1,-0.3 0.774 77.0 78.4 -48.5 -31.1 19.8 44.1 -18.5 41 41 A T G << S+ 0 0 9 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.1 0.627 87.0 57.7 -55.2 -17.8 18.8 42.8 -22.0 42 42 A Y G < S+ 0 0 36 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.586 108.2 46.3 -93.1 -7.5 15.2 42.7 -20.9 43 43 A F X + 0 0 30 -3,-2.6 3,-0.8 -4,-0.3 -1,-0.2 -0.354 57.2 145.5-129.5 50.3 15.2 46.4 -20.0 44 44 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.752 80.5 52.0 -60.7 -20.9 16.8 48.2 -22.9 45 45 A H T 3 S+ 0 0 121 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.678 88.3 92.7 -86.5 -25.1 14.3 50.9 -22.1 46 46 A F S < S- 0 0 39 -3,-0.8 2,-0.6 -6,-0.2 -3,-0.0 -0.241 76.6-125.8 -67.2 165.2 14.9 51.4 -18.5 47 47 A D - 0 0 80 2,-0.1 8,-0.4 1,-0.1 7,-0.2 -0.975 31.1-176.0 -98.3 120.5 17.3 54.0 -17.2 48 48 A L + 0 0 55 -2,-0.6 3,-0.1 6,-0.1 -1,-0.1 0.269 29.3 132.9-111.6 13.6 19.4 51.8 -15.0 49 49 A S S > S- 0 0 62 1,-0.2 3,-2.5 2,-0.1 6,-0.2 -0.244 75.0 -79.0 -60.8 148.3 21.8 54.3 -13.5 50 50 A H T 3 S+ 0 0 156 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 -0.281 121.8 15.4 -51.0 127.0 22.3 54.0 -9.7 51 51 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.447 87.7 168.5 88.9 3.4 19.3 55.6 -8.1 52 52 A S <> - 0 0 8 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 -0.123 35.6-144.9 -54.9 138.7 17.2 55.6 -11.2 53 53 A A H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.650 100.4 61.5 -79.1 -14.4 13.5 56.4 -10.7 54 54 A Q H > S+ 0 0 85 -7,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.880 109.9 41.6 -77.7 -33.7 12.6 54.0 -13.5 55 55 A V H > S+ 0 0 12 -8,-0.4 4,-3.8 2,-0.2 3,-0.3 0.986 110.4 55.1 -71.9 -58.3 14.1 51.3 -11.4 56 56 A K H X S+ 0 0 118 -4,-2.3 4,-1.2 1,-0.3 -2,-0.2 0.790 113.1 44.8 -42.1 -41.9 12.7 52.5 -8.0 57 57 A G H X S+ 0 0 28 -4,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.881 113.2 46.7 -73.8 -43.5 9.2 52.4 -9.4 58 58 A H H X S+ 0 0 50 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.892 107.0 62.2 -63.7 -37.5 9.6 49.0 -11.1 59 59 A G H X S+ 0 0 0 -4,-3.8 4,-2.1 1,-0.2 3,-0.4 0.916 102.1 50.9 -50.3 -45.5 11.1 47.9 -7.9 60 60 A K H X S+ 0 0 97 -4,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.892 103.1 55.8 -67.7 -41.0 7.8 48.6 -6.2 61 61 A K H X S+ 0 0 144 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.854 110.3 48.0 -60.6 -29.7 5.6 46.7 -8.7 62 62 A V H X S+ 0 0 29 -4,-1.6 4,-1.8 -3,-0.4 -1,-0.2 0.929 109.9 50.4 -74.0 -47.3 7.7 43.7 -8.0 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 3,-0.2 0.946 112.6 48.9 -55.4 -42.6 7.6 44.1 -4.3 64 64 A D H X S+ 0 0 88 -4,-2.9 4,-2.4 1,-0.3 3,-0.3 0.953 107.3 51.9 -69.2 -45.8 3.8 44.4 -4.6 65 65 A A H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.813 110.7 52.2 -55.1 -29.1 3.4 41.4 -6.7 66 66 A L H X S+ 0 0 12 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.3 0.901 107.8 48.6 -77.4 -35.3 5.3 39.6 -4.1 67 67 A T H X S+ 0 0 58 -4,-2.0 4,-2.5 -3,-0.3 -2,-0.2 0.824 111.1 52.6 -70.0 -34.2 3.1 40.8 -1.3 68 68 A N H < S+ 0 0 71 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.979 109.8 45.8 -67.2 -55.3 0.1 39.8 -3.3 69 69 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.854 110.8 55.6 -53.6 -36.1 1.4 36.3 -3.8 70 70 A V H >< S+ 0 0 12 -4,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.975 105.5 52.3 -59.6 -46.9 2.3 36.3 -0.1 71 71 A A T 3< S+ 0 0 56 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.483 117.5 37.0 -67.4 -7.2 -1.3 37.1 0.5 72 72 A H T X + 0 0 93 -3,-1.2 3,-1.9 -4,-0.5 -1,-0.3 -0.236 68.3 148.0-137.6 45.2 -2.5 34.2 -1.6 73 73 A V G X S+ 0 0 15 -3,-1.4 3,-0.7 1,-0.3 -71,-0.1 0.803 74.1 53.0 -49.7 -33.3 0.2 31.7 -0.7 74 74 A D G 3 S+ 0 0 123 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.580 119.0 30.5 -85.3 -10.7 -2.4 28.9 -1.1 75 75 A D G X> S+ 0 0 75 -3,-1.9 4,-2.3 -6,-0.2 3,-0.9 -0.207 74.2 144.1-138.3 43.4 -3.6 29.8 -4.6 76 76 A M H <> + 0 0 11 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.881 66.4 58.2 -56.3 -44.1 -0.4 31.3 -6.0 77 77 A P H 34 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.811 114.2 38.2 -55.5 -33.8 -0.9 30.0 -9.6 78 78 A N H <4 S+ 0 0 114 -3,-0.9 4,-0.3 2,-0.2 3,-0.2 0.783 114.3 53.1 -91.3 -31.0 -4.2 31.8 -10.0 79 79 A A H < S+ 0 0 28 -4,-2.3 3,-0.5 -7,-0.2 4,-0.2 0.964 116.2 40.2 -64.6 -48.4 -3.3 34.9 -8.1 80 80 A L S X S+ 0 0 5 -4,-2.9 4,-1.6 -5,-0.2 3,-0.4 0.486 82.0 114.8 -80.7 1.9 -0.2 35.4 -10.3 81 81 A S H >> S+ 0 0 43 1,-0.2 4,-1.6 -3,-0.2 3,-0.7 0.836 75.6 49.6 -34.5 -57.1 -2.0 34.4 -13.5 82 82 A A H 3> S+ 0 0 72 -3,-0.5 4,-1.9 -4,-0.3 3,-0.5 0.939 111.2 47.7 -56.5 -50.8 -1.7 37.8 -15.1 83 83 A L H 3> S+ 0 0 54 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.3 0.719 106.5 59.1 -63.8 -21.1 2.0 38.1 -14.4 84 84 A S H S+ 0 0 68 -4,-1.6 4,-3.9 -3,-0.5 5,-1.0 0.969 113.7 49.8 -63.3 -53.5 1.2 35.5 -19.2 86 86 A L H X>S+ 0 0 66 -4,-1.9 5,-3.1 1,-0.2 6,-0.6 0.950 117.1 38.0 -49.6 -63.6 3.3 38.7 -19.2 87 87 A H H <5S+ 0 0 47 -4,-2.1 6,-1.6 1,-0.2 5,-0.5 0.827 127.5 34.9 -61.8 -35.7 6.5 37.2 -18.3 88 88 A A H <5S+ 0 0 2 -4,-1.7 -1,-0.2 4,-0.2 -2,-0.2 0.634 131.2 23.4 -99.0 -14.9 6.1 34.0 -20.3 89 89 A H H <5S+ 0 0 106 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.1 0.790 128.8 29.3-117.1 -50.7 4.2 35.3 -23.3 90 90 A K T <> - 0 0 17 -2,-0.6 3,-1.1 1,-0.2 4,-0.5 -0.158 23.8-125.7 -53.7 136.7 14.4 32.8 -19.7 95 95 A P H 3> S+ 0 0 51 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.629 104.9 68.6 -56.7 -18.8 13.8 31.0 -16.4 96 96 A V H >> S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.927 91.2 64.2 -68.1 -34.8 17.5 31.3 -15.4 97 97 A N H <> S+ 0 0 10 -3,-1.1 4,-2.0 1,-0.3 -1,-0.2 0.864 98.6 54.1 -56.9 -31.2 16.9 35.0 -15.1 98 98 A F H 3X S+ 0 0 18 -4,-0.5 4,-2.9 2,-0.2 -1,-0.3 0.842 102.5 54.6 -70.7 -34.7 14.4 34.2 -12.3 99 99 A K H X S+ 0 0 4 -4,-2.8 4,-1.9 1,-0.2 3,-0.6 0.892 111.3 55.7 -74.9 -38.8 16.6 40.7 2.5 110 110 A A H 3< S+ 0 0 1 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.851 106.1 52.3 -57.1 -36.3 19.5 39.2 4.3 111 111 A A H 3< S+ 0 0 9 -4,-2.1 151,-0.3 -5,-0.2 -1,-0.2 0.704 117.8 36.5 -76.3 -20.2 21.2 42.6 4.3 112 112 A H H << S+ 0 0 55 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.583 115.8 52.1-108.7 -11.0 18.2 44.4 5.8 113 113 A L X + 0 0 6 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 -0.402 52.7 158.2-129.9 62.6 16.9 41.6 8.3 114 114 A P T 4 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.885 79.7 42.0 -47.1 -56.8 19.6 40.3 10.6 115 115 A A T 4 S+ 0 0 81 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.865 120.7 43.9 -63.9 -36.5 17.4 39.0 13.3 116 116 A E T 4 S+ 0 0 65 -3,-0.2 2,-2.0 1,-0.2 -1,-0.2 0.738 88.9 84.7 -79.7 -33.1 14.9 37.5 10.9 117 117 A F < + 0 0 3 -4,-2.6 -1,-0.2 -7,-0.2 -2,-0.1 -0.309 60.6 157.3 -81.6 58.3 17.1 35.9 8.3 118 118 A T > - 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0 0 17 -3,-1.3 2,-1.8 -4,-0.2 3,-0.1 -0.569 62.3-145.8 -86.6 129.3 35.7 38.3 8.0 161 19 B N >> - 0 0 81 -2,-0.4 4,-2.3 1,-0.2 3,-0.8 -0.648 20.0-171.0 -84.0 81.2 35.7 35.9 11.0 162 20 B V H 3> S+ 0 0 44 -2,-1.8 4,-1.8 1,-0.3 5,-0.3 0.789 78.3 61.1 -49.3 -36.2 36.6 32.9 8.9 163 21 B D H 3> S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.960 114.6 32.7 -49.3 -57.7 35.9 30.6 11.8 164 22 B E H <> S+ 0 0 96 -3,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.865 114.3 56.4 -72.3 -40.1 32.3 31.6 12.0 165 23 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.894 104.6 53.4 -66.0 -38.1 31.5 32.3 8.4 166 24 B G H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.909 109.5 48.7 -62.0 -45.0 32.6 28.9 7.2 167 25 B G H X S+ 0 0 6 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.932 112.6 47.0 -60.5 -51.1 30.3 27.2 9.7 168 26 B E H X S+ 0 0 46 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.955 114.1 47.4 -56.3 -53.0 27.3 29.4 8.8 169 27 B A H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.943 114.9 42.4 -59.4 -53.7 27.8 28.9 5.1 170 28 B L H X S+ 0 0 4 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.898 116.4 55.1 -59.4 -35.3 28.2 25.2 5.1 171 29 B G H >X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 3,-0.5 0.976 107.9 43.0 -61.2 -57.2 25.4 25.2 7.6 172 30 B R H 3X>S+ 0 0 4 -4,-3.7 4,-3.7 1,-0.3 5,-0.5 0.892 108.6 61.3 -63.2 -32.5 22.9 27.0 5.6 173 31 B L H 3X5S+ 0 0 10 -4,-2.5 4,-2.0 -5,-0.3 7,-0.3 0.928 107.2 45.1 -57.0 -42.2 23.9 24.9 2.5 174 32 B L H <<5S+ 0 0 0 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.724 118.7 42.8 -75.7 -20.3 22.8 21.8 4.4 175 33 B V H <5S+ 0 0 21 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.921 119.9 38.7 -88.5 -43.0 19.6 23.4 5.6 176 34 B V H <5S+ 0 0 1 -4,-3.7 -3,-0.2 1,-0.3 -2,-0.2 0.770 130.8 27.1 -81.4 -30.9 18.5 25.2 2.4 177 35 B Y S >< + 0 0 44 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.452 68.8 76.8 -53.7 -5.7 19.3 19.5 2.1 179 37 B W G > S+ 0 0 36 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.804 83.4 70.6 -76.8 -21.1 20.1 17.1 -0.7 180 38 B T G < S+ 0 0 3 -3,-3.2 -1,-0.2 -7,-0.3 3,-0.2 0.317 79.8 78.0 -71.3 13.1 23.6 18.3 -0.1 181 39 B Q G X S+ 0 0 53 -3,-1.1 3,-1.5 1,-0.2 -1,-0.2 0.652 73.5 76.4 -91.4 -21.6 23.6 16.4 3.3 182 40 B R G X S+ 0 0 67 -3,-1.4 3,-0.6 1,-0.3 -1,-0.2 0.687 89.0 58.6 -61.8 -23.7 24.2 13.0 1.6 183 41 B F G 3 S+ 0 0 56 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.603 109.4 43.7 -82.9 -13.7 27.8 13.9 1.2 184 42 B F G X + 0 0 35 -3,-1.5 3,-2.0 1,-0.1 -1,-0.2 -0.128 60.8 134.5-124.4 38.5 28.3 14.3 4.9 185 43 B E G X + 0 0 160 -3,-0.6 3,-1.0 1,-0.3 -1,-0.1 0.750 68.7 70.3 -64.7 -15.8 26.6 11.5 6.6 186 44 B S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.537 80.1 83.1 -72.1 -3.0 29.7 11.0 8.9 187 45 B F G < S- 0 0 22 -3,-2.0 14,-0.3 1,-0.2 15,-0.2 0.461 91.2-134.1 -85.4 1.7 28.7 14.3 10.5 188 46 B G < + 0 0 53 -3,-1.0 -1,-0.2 -4,-0.1 2,-0.2 -0.592 67.5 20.8 84.3-145.9 26.1 12.9 13.0 189 47 B D + 0 0 97 -2,-0.2 10,-0.1 1,-0.1 3,-0.0 -0.395 53.1 154.8 -63.8 127.2 22.7 14.5 13.5 190 48 B L + 0 0 17 -2,-0.2 6,-0.1 7,-0.0 -1,-0.1 0.109 37.8 113.6-130.9 21.6 21.5 16.7 10.6 191 49 B S S S+ 0 0 89 4,-0.1 3,-0.0 5,-0.0 -2,-0.0 0.649 73.9 30.8 -80.4 -20.9 17.7 16.4 11.2 192 50 B T S > S- 0 0 64 1,-0.1 4,-1.9 -3,-0.0 3,-0.5 -0.952 85.4-106.0-132.3 155.6 16.8 19.9 12.2 193 51 B P H > S+ 0 0 52 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.906 122.5 46.2 -42.8 -48.2 18.1 23.4 11.4 194 52 B D H > S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.815 103.8 59.7 -69.8 -32.6 19.6 23.5 14.9 195 53 B A H 4 S+ 0 0 22 -3,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.938 115.5 38.3 -58.0 -42.6 21.2 20.1 14.8 196 54 B V H >< S+ 0 0 1 -4,-1.9 3,-2.9 2,-0.2 -2,-0.2 0.984 112.4 50.2 -69.2 -66.4 23.1 21.3 11.8 197 55 B M H 3< S+ 0 0 32 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.2 0.830 120.6 40.1 -51.8 -31.6 24.0 24.9 12.6 198 56 B G T 3< S+ 0 0 47 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.510 83.5 121.1 -93.3 -6.0 25.3 23.7 15.9 199 57 B N <> - 0 0 15 -3,-2.9 4,-2.7 -4,-0.3 5,-0.2 -0.416 54.1-151.0 -65.2 118.5 27.0 20.5 14.7 200 58 B P H > S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.813 96.1 53.8 -60.4 -36.1 30.6 20.8 15.6 201 59 B K H > S+ 0 0 121 -14,-0.3 4,-2.4 2,-0.2 5,-0.2 0.895 111.4 47.7 -68.7 -35.9 31.8 18.6 12.7 202 60 B V H > S+ 0 0 0 -15,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.947 111.9 49.5 -63.2 -48.2 29.8 20.9 10.5 203 61 B K H X S+ 0 0 116 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.859 114.3 45.6 -60.7 -37.7 31.4 23.9 12.2 204 62 B A H X S+ 0 0 59 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.905 112.7 48.0 -70.9 -46.0 34.9 22.4 11.8 205 63 B H H X S+ 0 0 52 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 105.9 59.7 -67.4 -34.2 34.5 21.4 8.2 206 64 B G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.860 104.1 51.8 -56.3 -37.4 33.1 24.9 7.4 207 65 B K H X S+ 0 0 110 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.2 0.905 106.5 52.1 -66.6 -42.4 36.4 26.4 8.6 208 66 B K H X S+ 0 0 143 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.921 110.4 50.7 -57.6 -43.9 38.4 24.1 6.4 209 67 B V H X S+ 0 0 40 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.919 110.0 46.7 -63.3 -48.9 36.3 25.2 3.5 210 68 B L H X S+ 0 0 5 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.878 106.8 59.3 -64.6 -37.8 36.7 28.9 4.2 211 69 B G H X S+ 0 0 27 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.954 106.1 47.8 -51.7 -49.8 40.4 28.5 4.6 212 70 B A H X S+ 0 0 34 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.865 112.7 52.4 -59.5 -32.8 40.5 27.1 1.1 213 71 B F H >X S+ 0 0 20 -4,-1.7 3,-1.5 2,-0.2 4,-1.3 0.960 107.6 46.7 -68.8 -53.2 38.5 30.1 0.1 214 72 B S H >X S+ 0 0 25 -4,-3.1 4,-1.1 1,-0.3 3,-0.6 0.896 107.2 60.4 -55.5 -36.1 40.7 32.7 1.6 215 73 B D H 3< S+ 0 0 101 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.775 102.4 51.4 -73.4 -14.4 43.6 31.0 0.1 216 74 B G H X< S+ 0 0 1 -3,-1.5 3,-1.6 -4,-0.6 -1,-0.3 0.766 101.5 60.4 -84.3 -26.5 41.9 31.7 -3.3 217 75 B L H << S+ 0 0 19 -4,-1.3 3,-0.5 -3,-0.6 -2,-0.2 0.719 100.4 56.7 -74.6 -16.4 41.5 35.4 -2.6 218 76 B A T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.256 117.2 35.0 -90.3 9.8 45.3 35.5 -2.2 219 77 B H X + 0 0 101 -3,-1.6 3,-2.5 -5,-0.1 7,-0.2 -0.053 64.0 149.6-156.0 41.6 45.6 34.1 -5.8 220 78 B L G > S+ 0 0 8 -3,-0.5 3,-0.6 1,-0.3 -3,-0.1 0.793 74.8 61.2 -50.9 -28.2 42.7 35.5 -7.9 221 79 B D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.521 113.7 29.5 -84.4 -8.4 44.9 35.3 -10.9 222 80 B N G <> + 0 0 102 -3,-2.5 4,-2.3 -6,-0.2 -1,-0.2 -0.247 68.1 143.2-142.9 57.1 45.5 31.5 -10.8 223 81 B L H <> S+ 0 0 9 -3,-0.6 4,-1.9 1,-0.2 5,-0.2 0.865 71.2 60.0 -62.8 -37.3 42.4 29.9 -9.3 224 82 B K H 4 S+ 0 0 104 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.924 111.6 40.1 -63.1 -39.1 42.5 26.9 -11.5 225 83 B G H >4 S+ 0 0 37 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.914 110.7 56.8 -73.2 -41.5 45.9 26.0 -10.2 226 84 B T H 3< S+ 0 0 44 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.833 118.2 34.7 -58.2 -31.4 45.1 26.9 -6.6 227 85 B F T 3X S+ 0 0 7 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.3 0.385 84.6 106.2-108.1 4.6 42.3 24.5 -6.7 228 86 B A H <> S+ 0 0 23 -3,-1.1 4,-1.5 -4,-0.4 -1,-0.2 0.834 84.7 44.1 -56.0 -40.0 43.6 21.8 -8.9 229 87 B T H > S+ 0 0 109 -4,-0.4 4,-1.2 -3,-0.2 -1,-0.2 0.867 116.3 48.3 -71.7 -33.1 44.2 19.3 -6.1 230 88 B L H > S+ 0 0 58 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.733 108.8 51.3 -81.4 -25.9 40.9 20.1 -4.6 231 89 B S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.2 0.976 109.7 50.8 -71.1 -61.2 38.9 19.8 -7.7 232 90 B E H X S+ 0 0 94 -4,-1.5 4,-2.6 1,-0.2 5,-0.5 0.806 109.4 50.7 -36.0 -45.9 40.3 16.5 -8.5 233 91 B L H X>S+ 0 0 77 -4,-1.2 5,-2.2 1,-0.2 4,-1.9 0.946 109.3 49.4 -66.9 -48.7 39.5 15.2 -5.0 234 92 B H H <5S+ 0 0 41 -4,-1.7 6,-2.3 -3,-0.2 5,-0.2 0.763 118.6 42.4 -62.3 -25.1 35.9 16.3 -5.1 235 93 B C H X5S+ 0 0 11 -4,-2.1 4,-0.9 4,-0.2 -2,-0.2 0.942 123.8 28.9 -82.9 -64.5 35.6 14.7 -8.4 236 94 B D H <5S+ 0 0 73 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.881 133.7 23.9 -70.1 -40.8 37.4 11.4 -8.1 237 95 B K T <5S+ 0 0 165 -4,-1.9 -3,-0.2 -5,-0.5 -1,-0.2 0.869 133.3 30.1 -95.7 -40.1 37.0 10.6 -4.4 238 96 B L T 4 - 0 0 4 -2,-0.4 3,-2.9 1,-0.2 4,-0.3 -0.515 21.3-135.5 -69.0 117.1 28.3 17.4 -8.8 242 100 B P T >> S+ 0 0 5 0, 0.0 3,-1.6 0, 0.0 4,-0.7 0.700 97.9 79.6 -48.9 -18.0 30.1 20.6 -9.5 243 101 B E H >> S+ 0 0 25 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.818 82.7 63.6 -65.8 -25.7 26.7 22.2 -9.6 244 102 B N H <> S+ 0 0 13 -3,-2.9 4,-2.2 1,-0.2 -1,-0.3 0.718 87.7 69.0 -68.9 -21.7 26.8 22.3 -5.8 245 103 B F H <> S+ 0 0 25 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.872 97.8 52.8 -65.2 -31.5 29.8 24.6 -5.8 246 104 B R H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.3 3,-0.7 0.978 106.6 50.5 -66.5 -53.0 28.3 32.2 0.9 253 111 B V H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.888 108.3 52.1 -52.8 -46.8 27.3 35.5 -0.6 254 112 B C H 3X S+ 0 0 3 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.805 108.2 53.0 -60.8 -29.3 24.0 35.6 1.5 255 113 B V H < S- 0 0 32 -4,-2.4 3,-1.0 1,-0.2 -3,-0.2 0.810 82.6-171.9 -94.5 -27.7 27.9 43.0 7.0 261 119 B G G >< + 0 0 10 -4,-1.5 3,-4.1 -5,-0.4 -1,-0.2 -0.439 67.6 1.3 77.1-149.0 24.7 44.7 6.1 262 120 B K G 3 S+ 0 0 180 1,-0.3 -1,-0.2 -151,-0.3 -150,-0.1 0.740 124.0 71.9 -48.6 -23.5 24.4 47.9 4.0 263 121 B E G < S+ 0 0 83 -3,-1.0 2,-1.6 1,-0.2 -1,-0.3 0.723 81.6 75.4 -66.8 -22.5 28.2 47.6 3.8 264 122 B F S < S- 0 0 0 -3,-4.1 -1,-0.2 -7,-0.2 -3,-0.1 -0.562 81.1-178.3 -86.6 73.2 27.6 44.6 1.5 265 123 B T > - 0 0 56 -2,-1.6 4,-3.2 1,-0.1 3,-0.4 -0.219 43.0-102.3 -76.6 161.1 26.6 46.9 -1.3 266 124 B P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.900 123.3 48.9 -46.1 -47.9 25.5 45.9 -4.8 267 125 B P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.865 112.7 46.4 -66.0 -34.4 29.0 46.6 -6.2 268 126 B V H > S+ 0 0 19 -3,-0.4 4,-2.5 2,-0.2 5,-0.1 0.903 113.8 49.1 -72.1 -36.9 30.7 44.6 -3.5 269 127 B Q H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.957 108.0 56.3 -60.7 -46.0 28.2 41.8 -4.0 270 128 B A H X S+ 0 0 10 -4,-2.8 4,-1.2 -5,-0.3 -1,-0.2 0.843 109.4 43.8 -55.7 -43.1 28.9 42.1 -7.7 271 129 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.4 0.909 111.6 54.4 -68.7 -42.7 32.6 41.5 -7.2 272 130 B Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.844 103.4 56.0 -62.6 -32.5 31.9 38.7 -4.8 273 131 B Q H X S+ 0 0 13 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.873 106.0 51.4 -68.0 -33.0 29.7 37.0 -7.4 274 132 B K H X S+ 0 0 71 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.952 110.4 50.1 -67.2 -43.3 32.7 37.1 -9.8 275 133 B V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.945 111.5 45.1 -59.6 -47.8 34.9 35.5 -7.1 276 134 B V H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.891 111.4 53.0 -68.8 -34.8 32.5 32.7 -6.2 277 135 B A H X S+ 0 0 47 -4,-1.9 4,-3.3 -5,-0.2 5,-0.2 0.951 110.9 47.6 -61.7 -47.5 31.8 31.8 -9.8 278 136 B G H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 111.4 50.2 -58.9 -42.1 35.6 31.6 -10.5 279 137 B V H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.945 113.8 46.2 -59.7 -50.9 36.2 29.4 -7.4 280 138 B A H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.933 112.6 48.1 -55.1 -49.4 33.4 27.2 -8.6 281 139 B N H X S+ 0 0 86 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.917 112.8 51.3 -61.8 -36.0 34.6 27.1 -12.2 282 140 B A H < S+ 0 0 1 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.832 108.0 50.4 -72.8 -30.6 38.0 26.3 -10.8 283 141 B L H < S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.741 113.7 45.2 -79.0 -25.5 36.8 23.5 -8.6 284 142 B A H >< S+ 0 0 26 -4,-1.6 3,-1.5 -3,-0.2 -2,-0.2 0.555 90.6 91.9 -85.0 -14.2 34.9 21.9 -11.6 285 143 B H T 3< S+ 0 0 102 -4,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.805 85.6 43.7 -56.8 -35.7 37.9 22.3 -13.9 286 144 B K T 3 S+ 0 0 104 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.434 81.9 120.7 -94.3 3.3 39.6 19.0 -13.3 287 145 B Y < 0 0 22 -3,-1.5 40,-0.1 -52,-0.1 -55,-0.1 -0.472 360.0 360.0 -66.1 143.4 36.4 16.9 -13.5 288 146 B H 0 0 126 38,-0.2 -2,-0.1 -2,-0.1 41,-0.0 -0.850 360.0 360.0-156.3 360.0 36.6 14.3 -16.2 289 !* 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 0.0 290 1 C V 0 0 117 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 105.0 2.1 21.6 -21.1 291 2 C L - 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0 0 16 -4,-0.7 3,-2.4 -3,-0.6 4,-2.2 -0.628 54.5-153.5 -77.3 109.3 10.9 31.3 -44.9 489 58 D P H 3> S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.695 96.1 58.4 -57.3 -24.3 13.7 32.4 -47.3 490 59 D K H 3> S+ 0 0 129 -14,-0.3 4,-1.3 2,-0.2 5,-0.1 0.751 110.0 45.2 -75.3 -23.4 14.7 35.1 -44.8 491 60 D V H <> S+ 0 0 1 -3,-2.4 4,-3.7 2,-0.2 5,-0.2 0.952 111.5 49.0 -78.2 -56.9 15.2 32.3 -42.3 492 61 D K H X S+ 0 0 116 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.841 114.7 48.1 -49.1 -35.3 17.1 30.0 -44.6 493 62 D A H X S+ 0 0 53 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.882 113.2 43.3 -77.5 -44.3 19.4 32.9 -45.6 494 63 D H H X S+ 0 0 39 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.903 108.6 64.2 -64.2 -41.8 20.1 34.2 -42.1 495 64 D G H X S+ 0 0 0 -4,-3.7 4,-2.0 1,-0.2 -2,-0.2 0.914 104.9 42.6 -45.7 -54.4 20.5 30.5 -41.3 496 65 D K H X S+ 0 0 94 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.913 109.9 56.7 -63.4 -41.0 23.5 30.3 -43.6 497 66 D K H X S+ 0 0 149 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.937 108.8 49.3 -55.7 -44.7 24.9 33.6 -42.4 498 67 D V H X S+ 0 0 33 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.911 110.4 48.2 -60.0 -45.6 24.9 32.1 -38.9 499 68 D L H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.814 106.0 59.4 -68.2 -28.3 26.6 28.9 -40.0 500 69 D G H X S+ 0 0 31 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.884 105.9 47.2 -64.9 -38.9 29.2 31.0 -41.8 501 70 D A H X S+ 0 0 26 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.824 110.4 53.5 -72.2 -31.1 30.2 32.7 -38.6 502 71 D F H >X S+ 0 0 13 -4,-1.5 4,-1.6 1,-0.2 3,-0.5 0.929 105.0 54.4 -65.6 -43.3 30.2 29.2 -37.0 503 72 D S H 3X S+ 0 0 36 -4,-2.5 4,-0.7 1,-0.3 -2,-0.2 0.832 104.6 55.2 -58.3 -33.2 32.6 28.2 -39.8 504 73 D D H 3X S+ 0 0 96 -4,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.832 105.7 50.8 -71.9 -33.4 34.9 31.0 -38.8 505 74 D G H << S+ 0 0 1 -4,-1.2 6,-0.2 -3,-0.5 -1,-0.2 0.768 101.3 61.4 -75.1 -28.7 35.1 29.9 -35.2 506 75 D L H < S+ 0 0 19 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.755 107.5 46.6 -66.9 -24.3 36.0 26.4 -36.2 507 76 D A H < S+ 0 0 83 -4,-0.7 -2,-0.2 -3,-0.3 3,-0.2 0.756 118.1 39.3 -87.7 -26.4 39.1 27.9 -37.8 508 77 D H S >< S+ 0 0 88 -4,-1.1 3,-4.6 1,-0.2 -1,-0.2 -0.100 71.0 143.2-108.2 34.7 40.1 30.1 -34.8 509 78 D L G > S+ 0 0 9 -3,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.843 72.8 55.1 -41.6 -39.6 39.2 27.6 -32.1 510 79 D D G 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.492 118.4 34.6 -76.6 4.2 42.1 28.8 -30.1 511 80 D N G <> + 0 0 95 -3,-4.6 4,-1.2 -6,-0.2 3,-0.4 -0.122 63.0 145.4-153.6 49.1 40.7 32.4 -30.3 512 81 D L H <> S+ 0 0 13 -3,-0.8 4,-2.1 1,-0.2 5,-0.1 0.837 72.9 61.2 -55.4 -38.1 36.9 32.4 -30.2 513 82 D K H > S+ 0 0 101 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.878 103.0 45.9 -57.1 -49.1 36.9 35.6 -28.3 514 83 D G H 4 S+ 0 0 48 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.829 114.7 48.4 -68.1 -32.4 38.6 37.8 -30.8 515 84 D T H < S+ 0 0 37 -4,-1.2 3,-0.4 1,-0.2 4,-0.4 0.905 118.1 37.5 -71.1 -46.8 36.5 36.5 -33.7 516 85 D F H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.365 86.1 103.3 -92.2 3.4 33.1 36.9 -32.0 517 86 D A H X S+ 0 0 21 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.900 88.1 38.9 -52.6 -48.3 33.9 40.1 -30.2 518 87 D T H > S+ 0 0 87 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.896 114.0 54.5 -71.1 -40.7 31.9 42.3 -32.7 519 88 D L H > S+ 0 0 56 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.789 108.7 51.5 -62.1 -27.4 29.2 39.7 -33.0 520 89 D S H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.952 108.2 48.1 -73.7 -51.7 28.9 39.9 -29.2 521 90 D E H >X>S+ 0 0 84 -4,-2.0 4,-4.5 1,-0.2 3,-0.5 0.922 114.0 49.8 -51.7 -46.2 28.6 43.6 -28.9 522 91 D L H 3X>S+ 0 0 79 -4,-2.3 5,-2.1 1,-0.3 4,-1.5 0.922 109.5 48.6 -60.3 -52.4 26.0 43.5 -31.7 523 92 D H H 3<5S+ 0 0 50 -4,-1.8 6,-2.6 -5,-0.2 -1,-0.3 0.703 123.6 34.5 -63.9 -19.0 24.0 40.8 -30.0 524 93 D C H <<5S+ 0 0 11 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.817 125.2 34.2-104.4 -42.4 24.1 42.7 -26.8 525 94 D D H <5S+ 0 0 77 -4,-4.5 -3,-0.2 -5,-0.2 -2,-0.1 0.884 132.3 23.9 -82.4 -46.2 24.0 46.4 -27.7 526 95 D K T < - 0 0 3 -2,-0.5 3,-3.2 1,-0.2 4,-0.3 -0.583 18.0-133.8 -67.9 121.9 19.9 37.0 -23.7 531 100 D P T >> S+ 0 0 7 0, 0.0 4,-0.7 0, 0.0 3,-0.7 0.615 99.3 78.2 -57.3 -16.5 22.9 34.8 -24.0 532 101 D E H >> S+ 0 0 44 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.830 86.9 62.6 -63.0 -22.5 21.0 31.9 -22.5 533 102 D N H <> S+ 0 0 9 -3,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.820 90.0 67.2 -73.6 -26.4 19.5 31.7 -26.1 534 103 D F H <> S+ 0 0 21 -3,-0.7 4,-3.1 -4,-0.3 -1,-0.2 0.836 96.7 53.8 -55.8 -38.3 22.9 30.9 -27.5 535 104 D R H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.6 0.961 109.8 50.8 -59.5 -46.9 24.0 17.5 -37.2 546 115 D A H 3X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.936 110.1 52.3 -56.0 -41.8 23.0 14.3 -35.5 547 116 D H H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.814 113.9 43.2 -62.1 -31.4 20.0 14.3 -37.7 548 117 D H H << S+ 0 0 76 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.980 119.1 34.7 -81.1 -54.7 22.1 14.7 -40.8 549 118 D F H >< S- 0 0 32 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.526 81.4-171.9 -83.4 -9.5 25.0 12.4 -40.4 550 119 D G G >< S+ 0 0 18 -4,-1.5 3,-3.1 -5,-0.4 -1,-0.2 -0.245 72.0 3.9 56.3-134.8 23.3 9.5 -38.5 551 120 D K G 3 S+ 0 0 203 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.717 122.9 72.1 -58.9 -19.2 25.6 6.9 -37.3 552 121 D E G < S+ 0 0 91 -3,-2.0 2,-1.1 1,-0.2 -1,-0.3 0.706 83.8 72.9 -71.6 -12.9 28.5 8.9 -38.5 553 122 D F S < S- 0 0 0 -3,-3.1 -1,-0.2 -7,-0.2 -3,-0.1 -0.687 78.6-177.6 -98.5 76.3 27.8 11.3 -35.6 554 123 D T > - 0 0 52 -2,-1.1 4,-2.8 1,-0.1 5,-0.2 -0.243 42.2-101.4 -75.5 162.5 29.1 9.1 -32.9 555 124 D P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.904 124.0 51.0 -48.6 -47.8 29.1 9.9 -29.2 556 125 D P H > S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.930 109.7 48.9 -60.3 -43.6 32.8 10.8 -29.3 557 126 D V H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.899 110.1 54.0 -60.4 -41.4 32.2 13.2 -32.3 558 127 D Q H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.904 101.2 57.0 -59.6 -45.9 29.3 14.7 -30.4 559 128 D A H X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.934 107.3 50.2 -56.9 -40.8 31.4 15.4 -27.3 560 129 D A H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.3 0.931 111.8 46.3 -61.4 -44.5 33.7 17.5 -29.4 561 130 D Y H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.807 105.7 59.9 -71.1 -23.2 31.0 19.5 -30.9 562 131 D Q H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.889 106.6 48.7 -67.7 -35.5 29.5 20.0 -27.6 563 132 D K H X S+ 0 0 70 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.870 113.1 45.5 -72.3 -38.1 32.7 21.7 -26.6 564 133 D V H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.905 110.5 52.5 -65.5 -50.4 32.8 23.9 -29.7 565 134 D V H X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.865 112.6 46.2 -60.5 -37.3 29.3 24.9 -29.5 566 135 D A H X S+ 0 0 46 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.3 0.840 109.6 53.9 -69.3 -40.9 29.8 25.9 -25.9 567 136 D G H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.945 109.3 49.5 -60.3 -42.2 33.0 27.7 -26.7 568 137 D V H X S+ 0 0 9 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.932 110.4 48.8 -59.9 -50.2 31.0 29.7 -29.3 569 138 D A H X S+ 0 0 4 -4,-1.8 4,-0.7 1,-0.3 -1,-0.2 0.913 111.6 48.3 -59.8 -43.6 28.3 30.6 -26.9 570 139 D N H >X S+ 0 0 85 -4,-2.3 4,-1.0 1,-0.2 3,-0.7 0.899 111.2 53.5 -63.6 -37.4 30.7 31.7 -24.3 571 140 D A H 3< S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.3 4,-0.3 0.875 106.8 49.2 -68.1 -37.1 32.4 33.7 -26.9 572 141 D L H 3< S+ 0 0 21 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.583 114.0 49.2 -77.1 -6.5 29.3 35.5 -28.0 573 142 D A H X< S+ 0 0 25 -4,-0.7 3,-1.6 -3,-0.7 -1,-0.2 0.590 85.4 89.1-104.8 -12.2 28.6 36.3 -24.4 574 143 D H T 3< S+ 0 0 89 -4,-1.0 -2,-0.1 -3,-0.5 -1,-0.1 0.768 87.3 46.7 -57.6 -37.3 32.0 37.7 -23.4 575 144 D K T 3 S+ 0 0 98 -4,-0.3 -1,-0.3 -58,-0.1 2,-0.2 0.125 79.0 123.8 -98.4 21.4 31.4 41.4 -24.3 576 145 D Y < 0 0 26 -3,-1.6 -538,-0.1 -52,-0.0 -55,-0.1 -0.564 360.0 360.0 -73.9 146.2 28.1 41.7 -22.7 577 146 D H 0 0 128 -2,-0.2 -2,-0.0 -540,-0.1 -541,-0.0 -0.930 360.0 360.0-148.7 360.0 28.1 44.5 -20.1