==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 19-NOV-03 1V4U . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THUNNUS THYNNUS; . AUTHOR T.YOKOYAMA,K.T.CHONG,Y.MIYAZAKI,T.NAKATSUKASA,S.UNZAI, . 570 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 4 0 1 1 2 0 0 0 0 3 2 4 0 2 6 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 T 0 0 46 0, 0.0 132,-0.1 0, 0.0 423,-0.1 0.000 360.0 360.0 360.0 -7.3 -2.4 30.8 41.1 2 2 A T - 0 0 76 1,-0.1 2,-0.4 422,-0.1 128,-0.0 -0.370 360.0-130.8 -58.3 125.8 -3.1 27.0 41.0 3 3 A L - 0 0 17 72,-0.2 -1,-0.1 126,-0.1 123,-0.0 -0.712 19.3-138.5 -80.8 124.1 -2.6 25.9 37.3 4 4 A S > - 0 0 51 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.158 27.9-103.7 -69.2 169.8 -5.5 23.8 35.9 5 5 A D H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 127.4 53.8 -62.1 -41.4 -5.1 20.7 33.7 6 6 A K H > S+ 0 0 130 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.951 107.5 49.8 -58.0 -46.3 -6.2 23.0 30.9 7 7 A D H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 113.1 46.0 -56.6 -47.7 -3.4 25.6 31.8 8 8 A K H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.903 112.9 49.0 -67.1 -40.3 -0.7 22.9 31.9 9 9 A S H X S+ 0 0 78 -4,-2.3 4,-3.3 -5,-0.2 -2,-0.2 0.970 113.4 47.5 -63.3 -50.8 -1.9 21.4 28.6 10 10 A T H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.906 113.2 48.2 -50.5 -49.2 -1.9 24.9 26.9 11 11 A V H X S+ 0 0 3 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.890 113.8 45.7 -65.5 -43.2 1.5 25.8 28.2 12 12 A K H X S+ 0 0 100 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.906 112.3 50.9 -64.7 -42.9 3.0 22.5 27.2 13 13 A A H X S+ 0 0 59 -4,-3.3 4,-1.6 -5,-0.2 3,-0.3 0.985 113.7 46.1 -56.9 -48.7 1.3 22.7 23.7 14 14 A L H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.3 3,-0.4 0.931 111.2 51.7 -58.4 -46.8 2.7 26.3 23.3 15 15 A W H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.861 102.5 60.8 -61.4 -34.4 6.2 25.2 24.5 16 16 A G H < S+ 0 0 47 -4,-2.0 4,-0.2 -3,-0.3 -1,-0.2 0.921 112.3 37.3 -58.9 -45.2 6.1 22.4 21.9 17 17 A K H < S+ 0 0 130 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.787 126.4 36.0 -69.6 -32.0 5.8 25.0 19.1 18 18 A I H >< S+ 0 0 3 -4,-2.1 3,-3.2 -5,-0.2 -3,-0.2 0.714 87.1 90.1 -99.0 -21.3 8.2 27.7 20.6 19 19 A S G >< S+ 0 0 35 -4,-2.3 3,-1.7 1,-0.3 4,-0.2 0.713 76.7 65.9 -66.1 -25.8 10.9 25.9 22.4 20 20 A K G 3 S+ 0 0 181 1,-0.3 -1,-0.3 -4,-0.2 3,-0.2 0.659 104.5 49.8 -67.6 -9.1 13.3 25.7 19.4 21 21 A S G <> S+ 0 0 37 -3,-3.2 4,-3.1 1,-0.1 -1,-0.3 0.096 76.4 117.3-105.5 22.4 13.5 29.5 19.7 22 22 A A H <> S+ 0 0 14 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.885 73.4 48.0 -65.6 -37.3 14.1 29.5 23.4 23 23 A D H > S+ 0 0 82 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 114.0 46.6 -67.3 -44.0 17.6 31.1 23.2 24 24 A A H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 112.9 50.3 -65.7 -45.4 16.4 33.9 20.9 25 25 A I H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.934 111.6 47.9 -56.3 -50.6 13.3 34.5 23.1 26 26 A G H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 5,-0.4 0.924 114.1 46.9 -60.2 -44.3 15.4 34.7 26.3 27 27 A A H X S+ 0 0 14 -4,-1.9 4,-2.0 -5,-0.2 26,-0.4 0.915 114.7 44.7 -60.2 -46.0 17.8 37.1 24.7 28 28 A D H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.943 115.7 49.3 -70.7 -42.6 15.2 39.4 23.2 29 29 A A H X S+ 0 0 1 -4,-3.3 4,-2.0 -5,-0.2 -2,-0.2 0.911 112.9 44.4 -62.2 -42.4 13.2 39.3 26.5 30 30 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.915 112.7 54.0 -69.2 -46.5 16.2 40.2 28.8 31 31 A G H X S+ 0 0 2 -4,-2.0 4,-1.8 -5,-0.4 5,-0.2 0.910 110.7 43.9 -52.1 -45.5 17.3 42.8 26.5 32 32 A R H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.871 108.7 57.1 -73.5 -32.7 14.0 44.5 26.4 33 33 A M H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 7,-0.3 0.947 111.0 44.5 -66.7 -40.4 13.5 44.3 30.2 34 34 A L H < S+ 0 0 0 -4,-2.1 7,-0.2 2,-0.2 -1,-0.2 0.842 121.6 36.5 -70.0 -35.2 16.7 46.1 30.8 35 35 A A H < S+ 0 0 26 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.922 123.2 40.8 -82.0 -45.2 16.2 48.8 28.1 36 36 A V H < S+ 0 0 13 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.787 129.2 31.8 -76.4 -26.5 12.4 49.3 28.6 37 37 A Y S >< S+ 0 0 23 -4,-1.9 3,-2.8 -5,-0.4 -1,-0.3 -0.711 73.8 177.4-130.8 71.3 12.6 49.1 32.4 38 38 A P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.671 70.4 74.3 -64.4 -21.3 16.0 50.5 33.2 39 39 A Q G > S+ 0 0 60 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.748 84.8 66.2 -57.3 -27.2 15.6 50.2 36.9 40 40 A T G X S+ 0 0 1 -3,-2.8 3,-1.1 -7,-0.3 4,-0.3 0.630 84.4 79.2 -66.2 -17.1 16.1 46.4 36.5 41 41 A K G X S+ 0 0 72 -3,-1.6 3,-1.3 -4,-0.3 -1,-0.2 0.722 70.5 76.3 -67.1 -23.0 19.7 47.3 35.4 42 42 A T G X S+ 0 0 40 -3,-1.0 3,-0.7 1,-0.3 -1,-0.2 0.820 93.8 54.4 -58.6 -29.7 20.9 47.8 39.0 43 43 A Y G < S+ 0 0 26 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.700 112.3 41.8 -71.5 -21.1 21.0 44.0 39.3 44 44 A F G X S+ 0 0 32 -3,-1.3 3,-2.2 -4,-0.3 -1,-0.2 0.108 78.3 118.9-111.9 22.6 23.2 43.6 36.2 45 45 A S T < + 0 0 93 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.809 68.2 59.9 -74.4 -34.7 25.6 46.5 37.0 46 46 A H T 3 S+ 0 0 141 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.557 86.2 104.6 -59.4 -13.3 28.7 44.4 37.3 47 47 A W S < S- 0 0 44 -3,-2.2 3,-0.1 1,-0.1 -3,-0.1 -0.596 71.9-138.2 -74.9 139.7 28.1 43.3 33.6 48 48 A P S S+ 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.889 88.1 12.1 -51.5 -43.0 30.3 44.9 30.9 49 49 A D + 0 0 68 2,-0.1 8,-0.1 1,-0.1 -3,-0.0 -0.998 51.1 174.6-151.8 130.9 27.4 45.4 28.5 50 50 A M + 0 0 27 -2,-0.4 3,-0.1 -3,-0.1 -16,-0.1 0.029 42.5 128.8-125.3 19.7 23.6 45.2 29.0 51 51 A S S > S- 0 0 50 1,-0.1 3,-2.0 -17,-0.1 6,-0.3 -0.417 70.4 -78.6 -92.9 155.7 22.5 46.3 25.6 52 52 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.246 114.5 3.2 -48.6 136.6 20.0 44.5 23.3 53 53 A G T 3 S+ 0 0 49 -26,-0.4 -25,-0.1 1,-0.2 -2,-0.1 0.583 95.1 144.5 65.8 14.4 21.6 41.6 21.4 54 54 A S <> - 0 0 11 -3,-2.0 4,-2.3 -27,-0.1 5,-0.2 -0.226 65.4-101.1 -81.8 171.9 25.0 42.0 23.2 55 55 A G H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 121.3 42.9 -61.9 -48.4 27.2 39.0 24.1 56 56 A P H > S+ 0 0 37 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.851 112.8 52.0 -66.4 -42.0 26.2 39.0 27.8 57 57 A V H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.916 113.5 45.2 -59.1 -42.7 22.5 39.6 27.1 58 58 A K H X S+ 0 0 129 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.932 114.0 48.3 -64.9 -45.2 22.5 36.6 24.7 59 59 A A H X S+ 0 0 52 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.949 117.0 42.7 -65.7 -40.4 24.5 34.3 27.0 60 60 A H H X S+ 0 0 54 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 107.3 59.9 -74.2 -37.3 22.2 35.1 29.9 61 61 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.850 102.0 53.4 -55.8 -42.9 19.0 35.0 28.0 62 62 A K H X S+ 0 0 112 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.949 109.7 49.7 -53.3 -51.7 19.7 31.3 27.1 63 63 A K H X S+ 0 0 147 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.938 109.3 51.8 -54.3 -44.5 20.1 30.7 30.8 64 64 A V H X S+ 0 0 33 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.914 111.7 44.2 -66.0 -46.6 16.9 32.4 31.6 65 65 A M H X S+ 0 0 4 -4,-2.5 4,-3.0 2,-0.2 -1,-0.3 0.787 107.0 61.2 -71.5 -23.3 14.8 30.4 29.1 66 66 A G H X S+ 0 0 40 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.898 104.8 50.6 -58.2 -36.7 16.6 27.3 30.3 67 67 A G H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 110.5 46.2 -67.0 -40.5 15.0 28.3 33.6 68 68 A V H X S+ 0 0 14 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.888 111.5 52.2 -66.1 -43.7 11.6 28.6 31.9 69 69 A A H >X S+ 0 0 31 -4,-3.0 4,-2.5 2,-0.2 3,-0.6 0.964 108.3 52.9 -50.8 -54.7 12.2 25.2 30.2 70 70 A L H 3X S+ 0 0 69 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.905 108.3 49.9 -45.1 -49.3 13.0 23.9 33.7 71 71 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.785 105.0 55.2 -65.7 -29.3 9.6 25.2 35.0 72 72 A V H X< S+ 0 0 16 -4,-1.6 3,-1.3 -3,-0.6 -2,-0.2 0.959 108.8 50.7 -69.0 -40.4 7.7 23.6 32.1 73 73 A S H 3< S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.774 118.8 37.8 -52.3 -37.6 9.4 20.4 33.3 74 74 A K T >< S+ 0 0 105 -4,-1.2 3,-2.8 -5,-0.2 7,-0.3 0.126 73.8 131.0-107.0 21.4 8.2 21.1 36.9 75 75 A I T < + 0 0 9 -3,-1.3 3,-0.4 1,-0.3 -72,-0.2 0.636 66.0 60.8 -59.6 -18.3 4.9 22.5 36.3 76 76 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.642 125.1 14.4 -83.1 -21.2 3.1 20.3 38.9 77 77 A D <> + 0 0 75 -3,-2.8 4,-2.0 -6,-0.2 -1,-0.3 -0.548 64.5 162.4-153.7 83.8 5.1 21.8 41.7 78 78 A L H > S+ 0 0 11 -3,-0.4 4,-3.0 2,-0.2 5,-0.1 0.858 73.7 72.5 -70.3 -36.2 7.0 25.0 40.8 79 79 A T H 4 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.917 112.9 24.2 -42.8 -49.8 7.4 25.7 44.4 80 80 A T H >4 S+ 0 0 99 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.827 117.8 63.5 -79.0 -41.6 10.0 22.9 44.8 81 81 A G H 3< S+ 0 0 19 -4,-2.0 3,-0.3 -7,-0.3 -2,-0.2 0.851 110.3 36.0 -59.2 -35.6 11.1 22.8 41.2 82 82 A L T 3X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 3,-0.4 0.221 81.1 119.4-104.2 26.9 12.5 26.4 41.2 83 83 A G H <> S+ 0 0 6 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.824 76.2 46.0 -58.8 -46.7 13.9 26.2 44.7 84 84 A D H > S+ 0 0 131 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.3 0.794 111.7 52.3 -63.7 -35.0 17.5 26.9 43.8 85 85 A L H > S+ 0 0 49 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.899 110.1 50.3 -72.5 -36.5 16.5 29.7 41.5 86 86 A S H X>S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-1.5 0.915 106.5 54.3 -59.4 -46.3 14.6 31.2 44.4 87 87 A E H X>S+ 0 0 53 -4,-2.2 5,-2.7 1,-0.2 4,-0.8 0.957 113.4 42.7 -53.1 -51.0 17.5 30.9 46.7 88 88 A L H <>S+ 0 0 67 -4,-2.2 5,-2.3 3,-0.2 -1,-0.2 0.909 124.1 32.4 -62.8 -46.7 19.6 32.8 44.2 89 89 A H H <5S+ 0 0 47 -4,-2.1 6,-2.4 3,-0.2 -2,-0.2 0.882 130.2 29.3 -84.1 -43.9 17.1 35.6 43.3 90 90 A A H <5S+ 0 0 0 -4,-2.9 -3,-0.2 48,-0.3 -2,-0.1 0.860 131.0 28.7 -84.4 -47.1 15.2 36.1 46.5 91 91 A F T < - 0 0 4 1,-0.2 3,-2.4 -3,-0.1 4,-0.4 -0.429 24.3-129.2 -61.8 125.1 12.6 43.2 44.3 97 97 A P T >> S+ 0 0 28 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.762 103.0 71.8 -60.2 -14.9 9.5 40.9 43.6 98 98 A S H 3> S+ 0 0 14 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.805 88.0 62.9 -69.0 -22.5 8.0 43.6 41.3 99 99 A N H <> S+ 0 0 13 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.695 89.2 66.4 -75.7 -26.0 10.7 42.9 38.7 100 100 A F H <> S+ 0 0 20 -3,-0.9 4,-2.4 -4,-0.4 -1,-0.2 0.890 99.7 52.1 -56.8 -41.6 9.5 39.3 38.1 101 101 A K H X S+ 0 0 110 -4,-0.7 4,-2.8 -3,-0.3 -1,-0.2 0.890 107.6 53.6 -62.6 -37.4 6.3 40.6 36.6 102 102 A I H X S+ 0 0 19 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.958 110.5 43.7 -61.2 -49.5 8.3 42.8 34.3 103 103 A L H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.944 113.5 52.7 -66.3 -40.5 10.4 40.0 32.9 104 104 A S H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.935 109.8 48.7 -50.6 -55.5 7.3 37.8 32.6 105 105 A H H X S+ 0 0 16 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.913 110.4 51.3 -54.4 -44.4 5.6 40.6 30.7 106 106 A C H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.897 108.0 51.8 -65.0 -35.1 8.7 41.0 28.4 107 107 A I H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.939 109.6 49.7 -65.7 -45.9 8.7 37.2 27.6 108 108 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.929 109.5 51.7 -62.1 -42.7 5.0 37.4 26.6 109 109 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.916 112.1 45.6 -55.1 -41.2 5.7 40.4 24.4 110 110 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.925 113.4 49.3 -75.8 -39.0 8.6 38.5 22.6 111 111 A V H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.954 113.6 46.7 -61.5 -44.5 6.5 35.3 22.2 112 112 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 -5,-0.3 7,-0.2 0.941 113.9 48.5 -63.1 -46.4 3.6 37.3 20.8 113 113 A K H < S+ 0 0 36 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.902 119.9 38.5 -52.9 -47.1 6.1 39.2 18.5 114 114 A M H < S+ 0 0 60 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.769 130.5 24.4 -81.0 -28.2 7.6 35.9 17.3 115 115 A F X + 0 0 20 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 -0.541 66.6 159.1-138.0 62.2 4.6 33.6 17.1 116 116 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.812 77.4 49.0 -63.9 -35.9 1.7 35.9 16.6 117 117 A K T 4 S+ 0 0 136 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.873 114.1 45.4 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1.1 31.4 29.8 128 128 A D H X S+ 0 0 20 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.947 111.9 46.7 -75.1 -41.5 0.3 34.4 32.0 129 129 A K H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 112.9 50.1 -54.9 -48.9 -0.8 32.1 34.8 130 130 A F H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.933 109.8 49.7 -60.3 -46.8 2.2 30.0 34.4 131 131 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.888 109.0 52.0 -57.9 -41.2 4.5 33.0 34.5 132 132 A A H X S+ 0 0 34 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.891 110.2 49.3 -59.1 -41.5 2.8 34.2 37.7 133 133 A S H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 111.3 49.6 -64.0 -43.1 3.4 30.8 39.3 134 134 A V H X S+ 0 0 18 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 112.0 48.8 -58.6 -45.0 7.0 31.0 38.1 135 135 A A H X S+ 0 0 16 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.908 113.7 45.3 -66.5 -43.9 7.1 34.4 39.7 136 136 A L H < S+ 0 0 45 -4,-3.0 3,-0.3 2,-0.2 -1,-0.2 0.873 110.7 52.6 -62.0 -40.5 5.6 33.2 43.0 137 137 A A H >< S+ 0 0 4 -4,-2.4 3,-1.2 1,-0.2 4,-0.2 0.901 107.4 52.9 -71.0 -33.0 7.7 30.2 43.2 138 138 A L H 3< S+ 0 0 18 -4,-2.1 3,-0.4 1,-0.3 -48,-0.3 0.687 104.8 57.1 -69.8 -19.9 10.9 32.5 42.7 139 139 A A T >< S+ 0 0 22 -4,-0.9 3,-1.3 -3,-0.3 4,-0.4 0.409 78.9 98.5 -88.4 1.4 9.6 34.6 45.7 140 140 A E T < S+ 0 0 32 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.869 78.7 50.7 -63.2 -36.5 9.6 31.6 48.1 141 141 A R T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.078 83.0 87.4 -96.2 21.7 13.0 32.3 49.7 142 142 A Y < 0 0 15 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.947 360.0 360.0 -70.7 -52.8 12.5 36.0 50.7 143 143 A R 0 0 104 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.798 360.0 360.0-136.8 360.0 10.9 35.2 54.1 144 !* 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 0.0 145 1 B V 0 0 96 0, 0.0 132,-0.0 0, 0.0 131,-0.0 0.000 360.0 360.0 360.0-108.9 7.3 63.5 30.3 146 2 B E - 0 0 171 2,-0.0 77,-0.1 0, 0.0 0, 0.0 -0.557 360.0-158.8-144.1 70.7 10.4 65.2 28.6 147 3 B W - 0 0 20 75,-0.1 2,-0.2 4,-0.1 76,-0.0 -0.171 12.0-143.4 -64.6 135.7 10.1 63.7 25.2 148 4 B T > - 0 0 74 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.558 31.3-112.9 -77.9 163.0 13.1 63.5 22.8 149 5 B Q H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.834 118.4 58.4 -62.7 -42.0 12.0 64.0 19.1 150 6 B Q H > S+ 0 0 101 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.919 107.0 47.1 -53.6 -46.3 12.9 60.4 18.3 151 7 B E H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.966 111.9 51.8 -64.5 -42.8 10.3 59.3 21.0 152 8 B R H X S+ 0 0 79 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.920 114.2 41.5 -60.2 -42.3 7.7 61.7 19.6 153 9 B S H X S+ 0 0 59 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.915 113.5 52.7 -80.2 -28.1 8.1 60.4 16.2 154 10 B I H X S+ 0 0 22 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.3 45.1 -61.3 -44.4 8.3 56.7 17.2 155 11 B I H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 3,-0.3 0.963 115.6 44.0 -70.3 -54.6 5.1 57.1 19.2 156 12 B A H X S+ 0 0 48 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.893 112.9 56.7 -51.7 -45.2 3.3 58.9 16.4 157 13 B G H X S+ 0 0 41 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.907 104.5 50.8 -49.6 -47.0 4.9 56.3 14.1 158 14 B I H X S+ 0 0 6 -4,-2.3 4,-1.8 -3,-0.3 3,-0.2 0.974 114.4 43.1 -59.2 -50.0 3.3 53.4 16.0 159 15 B F H < S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 109.5 56.6 -80.2 -13.7 -0.2 55.0 15.9 160 16 B A H < S+ 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.850 110.9 46.3 -71.9 -35.8 0.1 55.9 12.2 161 17 B N H < S+ 0 0 100 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.1 0.901 95.5 91.3 -73.0 -34.9 0.8 52.3 11.5 162 18 B L < - 0 0 12 -4,-1.8 2,-0.9 -5,-0.1 3,-0.1 -0.259 64.2-145.3 -74.6 135.8 -2.0 50.7 13.5 163 19 B N >> - 0 0 104 1,-0.1 3,-2.2 -2,-0.1 4,-1.9 -0.815 13.2-159.4 -90.5 108.2 -5.4 49.9 12.2 164 20 B Y H 3> S+ 0 0 23 -2,-0.9 4,-1.8 1,-0.3 48,-0.2 0.707 85.5 66.2 -65.4 -18.8 -7.5 50.6 15.3 165 21 B E H 34 S+ 0 0 126 2,-0.2 -1,-0.3 3,-0.1 44,-0.1 0.645 113.8 32.9 -71.3 -19.4 -10.4 48.5 14.0 166 22 B D H <> S+ 0 0 52 -3,-2.2 4,-1.4 3,-0.1 -2,-0.2 0.867 123.3 41.4-103.3 -55.6 -8.2 45.5 14.4 167 23 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.860 110.0 58.0 -57.7 -46.7 -5.9 46.3 17.4 168 24 B G H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 3,-0.4 0.966 108.2 41.4 -59.7 -57.7 -8.7 47.8 19.6 169 25 B P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.907 116.4 51.8 -54.7 -44.4 -11.1 44.9 19.8 170 26 B K H X S+ 0 0 98 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.846 111.2 45.5 -60.5 -36.7 -8.2 42.4 20.2 171 27 B A H X S+ 0 0 3 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.2 0.913 115.6 43.3 -82.6 -46.9 -6.6 44.2 23.0 172 28 B L H X S+ 0 0 8 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.934 114.3 50.9 -61.3 -46.6 -9.7 44.9 25.1 173 29 B A H X S+ 0 0 8 -4,-2.3 4,-1.9 -5,-0.4 5,-0.2 0.925 110.1 50.8 -54.1 -44.3 -11.1 41.3 24.5 174 30 B R H X S+ 0 0 21 -4,-1.5 4,-2.9 -5,-0.3 5,-0.4 0.890 106.5 53.8 -64.6 -38.6 -7.7 40.0 25.6 175 31 B C H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 7,-0.3 0.942 111.2 46.7 -55.9 -44.0 -7.9 42.2 28.7 176 32 B L H < S+ 0 0 0 -4,-2.1 7,-0.3 1,-0.2 -2,-0.2 0.755 117.3 42.7 -73.7 -28.0 -11.3 40.7 29.6 177 33 B I H < S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.860 119.6 39.9 -85.2 -41.7 -10.2 37.1 28.9 178 34 B V H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.814 130.1 29.0 -81.7 -29.8 -6.8 37.2 30.6 179 35 B Y S >< S+ 0 0 20 -4,-2.7 3,-3.3 -5,-0.4 4,-0.3 -0.590 72.9 179.0-128.6 71.6 -7.9 39.3 33.6 180 36 B P G > S+ 0 0 10 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.734 70.4 74.3 -60.0 -22.1 -11.6 38.4 34.0 181 37 B W G > S+ 0 0 26 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.797 85.2 66.4 -56.7 -22.6 -12.2 40.6 37.0 182 38 B T G X S+ 0 0 10 -3,-3.3 3,-1.4 -7,-0.3 -1,-0.3 0.741 81.0 78.8 -73.1 -17.6 -12.1 43.5 34.6 183 39 B Q G X S+ 0 0 35 -3,-2.3 3,-2.9 -4,-0.3 -1,-0.2 0.871 75.7 79.1 -51.2 -27.2 -15.4 42.0 33.2 184 40 B R G X S+ 0 0 87 -3,-1.3 3,-0.7 -4,-0.4 -1,-0.2 0.792 89.0 52.1 -51.9 -34.2 -17.1 43.6 36.3 185 41 B Y G < S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.2 3,-0.2 0.532 104.2 58.5 -84.0 -1.8 -17.1 47.0 34.6 186 42 B F G X + 0 0 28 -3,-2.9 3,-2.4 -4,-0.2 -1,-0.2 0.044 57.1 126.9-124.4 21.4 -18.8 45.8 31.4 187 43 B G G X S+ 0 0 68 -3,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.736 76.2 54.2 -43.4 -34.0 -22.1 44.3 32.6 188 44 B A G 3 S+ 0 0 97 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.440 88.4 80.4 -80.5 -3.4 -24.0 46.4 30.1 189 45 B Y G < S- 0 0 72 -3,-2.4 15,-0.3 1,-0.3 2,-0.3 0.157 92.9-133.9-100.3 17.1 -22.0 45.2 27.1 190 46 B G < + 0 0 52 -3,-0.5 2,-0.7 13,-0.1 -1,-0.3 -0.527 67.7 35.2 82.0-127.8 -24.0 41.9 26.8 191 47 B D + 0 0 95 -2,-0.3 9,-0.1 1,-0.1 10,-0.1 -0.563 51.0 142.3 -80.8 102.8 -22.4 38.5 26.4 192 48 B L + 0 0 21 -2,-0.7 6,-0.2 1,-0.1 -1,-0.1 0.256 36.0 113.1-116.9 10.3 -19.0 37.9 28.2 193 49 B S S S+ 0 0 96 4,-0.1 -1,-0.1 5,-0.0 3,-0.0 0.898 79.7 16.4 -55.7 -59.5 -19.4 34.2 29.3 194 50 B T S > S- 0 0 71 1,-0.1 4,-1.0 -3,-0.0 -17,-0.0 -0.672 79.0-111.6-108.4 167.7 -16.8 32.4 27.2 195 51 B P H >> S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.943 116.1 55.1 -50.7 -60.1 -13.8 33.6 25.3 196 52 B D H 34 S+ 0 0 130 1,-0.3 4,-0.5 2,-0.2 5,-0.1 0.868 110.1 49.6 -49.5 -38.3 -15.2 32.8 21.8 197 53 B A H 34 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.2 3,-0.3 0.791 106.0 55.2 -70.1 -34.6 -18.2 34.9 22.9 198 54 B I H X< S+ 0 0 3 -4,-1.0 3,-1.7 -3,-0.8 7,-0.2 0.961 108.3 48.0 -62.5 -46.3 -15.9 37.8 24.0 199 55 B K T 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.663 110.4 53.3 -68.3 -14.7 -14.2 37.9 20.6 200 56 B G T 3 S+ 0 0 64 -4,-0.5 2,-0.7 -5,-0.3 -1,-0.3 0.376 82.8 113.7-101.1 2.4 -17.7 37.9 18.9 201 57 B N <> - 0 0 6 -3,-1.7 4,-2.5 -4,-0.2 5,-0.1 -0.663 46.3-170.3 -89.8 113.5 -18.9 40.8 20.9 202 58 B A H > S+ 0 0 66 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.786 88.0 53.1 -71.1 -29.1 -19.5 43.9 18.8 203 59 B K H > S+ 0 0 116 -14,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.909 113.2 43.6 -73.3 -42.4 -20.1 46.2 21.8 204 60 B I H > S+ 0 0 1 -15,-0.3 4,-2.4 2,-0.2 3,-0.2 0.984 114.1 52.1 -64.7 -50.4 -16.7 45.1 23.4 205 61 B A H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.895 110.3 46.5 -51.3 -50.2 -15.0 45.4 20.0 206 62 B A H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.877 111.4 52.6 -64.2 -35.6 -16.3 49.0 19.4 207 63 B H H X S+ 0 0 41 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.2 0.884 105.2 54.2 -69.9 -34.1 -15.2 50.0 22.9 208 64 B G H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.917 107.7 51.3 -60.7 -47.5 -11.7 48.6 22.2 209 65 B V H X S+ 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47.5 61.1 461 30 D R H X S+ 0 0 24 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.901 109.3 50.7 -55.4 -40.7 9.7 46.0 60.8 462 31 D C H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 7,-0.3 0.909 110.1 47.9 -67.5 -39.9 9.9 46.8 57.1 463 32 D L H < S+ 0 0 0 -4,-1.9 7,-0.3 1,-0.2 -1,-0.2 0.831 117.6 43.1 -69.6 -32.8 13.3 45.1 56.6 464 33 D I H < S+ 0 0 11 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.832 119.5 39.6 -78.2 -42.5 12.1 42.1 58.5 465 34 D V H < S+ 0 0 0 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.830 129.4 31.8 -80.1 -32.0 8.6 41.7 56.9 466 35 D Y S >< S+ 0 0 24 -4,-2.5 3,-2.8 -5,-0.3 -1,-0.2 -0.581 75.2 179.6-126.6 74.5 9.8 42.6 53.5 467 36 D P G > S+ 0 0 7 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.649 71.0 70.4 -58.8 -31.8 13.4 41.4 53.3 468 37 D W G > S+ 0 0 25 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.704 85.8 71.6 -54.4 -19.4 14.3 42.4 49.8 469 38 D T G X S+ 0 0 8 -3,-2.8 3,-1.3 -7,-0.3 -1,-0.3 0.727 80.9 75.0 -69.0 -20.6 14.2 46.0 51.1 470 39 D Q G X S+ 0 0 22 -3,-2.3 3,-3.2 -7,-0.3 -1,-0.2 0.811 75.1 81.0 -56.0 -27.3 17.5 45.0 52.9 471 40 D R G X S+ 0 0 77 -3,-1.1 3,-0.5 -4,-0.4 -1,-0.3 0.824 88.8 51.9 -51.4 -37.7 19.2 45.3 49.5 472 41 D Y G < S+ 0 0 58 -3,-1.3 -1,-0.3 -4,-0.2 3,-0.2 0.568 103.5 61.5 -77.0 -3.8 19.4 49.1 49.9 473 42 D F G X + 0 0 32 -3,-3.2 3,-1.3 -4,-0.2 -1,-0.2 -0.245 55.2 124.9-119.4 38.7 21.1 48.8 53.4 474 43 D G G X S+ 0 0 71 -3,-0.5 3,-1.0 1,-0.3 -1,-0.2 0.886 74.4 58.4 -72.2 -33.9 24.4 47.0 52.8 475 44 D A G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.536 90.2 76.8 -61.6 -9.6 26.4 49.8 54.4 476 45 D Y G < S- 0 0 58 -3,-1.3 14,-0.4 1,-0.3 15,-0.2 0.315 90.1-139.5 -99.2 5.5 24.4 49.3 57.7 477 46 D G < + 0 0 52 -3,-1.0 2,-0.6 13,-0.1 -1,-0.3 -0.480 66.9 38.9 81.0-137.8 26.2 46.2 58.9 478 47 D D + 0 0 95 -2,-0.2 9,-0.1 1,-0.2 10,-0.1 -0.300 54.0 140.8 -66.6 101.7 24.5 43.3 60.6 479 48 D L + 0 0 18 -2,-0.6 6,-0.2 1,-0.1 -1,-0.2 0.354 37.3 110.8-118.5 0.8 21.2 42.5 58.9 480 49 D S S S+ 0 0 99 4,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.839 79.6 24.5 -46.2 -57.2 21.5 38.8 59.0 481 50 D T S > S- 0 0 66 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.729 77.8-117.0-103.2 162.3 18.7 38.0 61.6 482 51 D P H > S+ 0 0 65 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.903 119.2 58.8 -54.2 -40.1 15.6 39.9 62.7 483 52 D D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.963 108.5 44.0 -55.5 -48.8 17.4 40.0 66.2 484 53 D A H > S+ 0 0 17 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.848 111.9 51.8 -58.0 -43.8 20.3 41.8 64.5 485 54 D I H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.949 112.2 48.4 -60.8 -42.1 18.0 44.1 62.5 486 55 D K H 3< S+ 0 0 106 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.880 116.2 41.5 -69.4 -37.1 16.2 45.0 65.7 487 56 D G H 3< S+ 0 0 63 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.373 85.9 123.7 -88.2 6.5 19.5 45.7 67.5 488 57 D N S+ 0 0 81 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.807 88.6 51.1 -77.6 -25.4 22.1 51.0 65.6 490 59 D K H > S+ 0 0 131 -14,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.814 110.1 51.3 -77.0 -32.4 22.5 52.4 62.2 491 60 D I H > S+ 0 0 2 -15,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.948 108.6 51.8 -75.1 -40.4 19.0 51.1 61.3 492 61 D A H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 110.3 47.8 -60.1 -47.6 17.6 52.8 64.4 493 62 D A H X S+ 0 0 58 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.940 113.1 48.3 -61.2 -45.0 19.2 56.2 63.5 494 63 D H H X S+ 0 0 46 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.892 105.7 57.6 -66.8 -36.3 18.0 56.0 59.9 495 64 D G H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.958 108.5 47.6 -56.1 -48.1 14.4 55.1 61.1 496 65 D V H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 108.0 54.7 -63.3 -40.0 14.4 58.4 63.1 497 66 D K H X S+ 0 0 133 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.878 104.0 56.7 -54.6 -40.6 15.7 60.3 60.0 498 67 D V H X S+ 0 0 44 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.932 105.3 50.6 -53.4 -47.3 12.8 58.9 58.0 499 68 D L H >X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.3 3,-0.8 0.894 107.6 51.3 -64.1 -42.0 10.4 60.3 60.5 500 69 D H H 3X S+ 0 0 103 -4,-2.1 4,-1.5 1,-0.3 -1,-0.3 0.804 103.6 61.0 -63.2 -27.7 12.0 63.8 60.3 501 70 D G H 3X S+ 0 0 14 -4,-1.5 4,-0.6 -3,-0.3 -1,-0.3 0.803 104.9 47.5 -66.2 -29.1 11.6 63.5 56.6 502 71 D L H XX S+ 0 0 11 -4,-1.1 4,-2.4 -3,-0.8 3,-1.5 0.906 102.2 63.2 -73.5 -38.6 7.9 63.3 57.2 503 72 D D H 3X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.880 97.6 58.5 -54.0 -40.6 7.9 66.3 59.5 504 73 D R H 3< S+ 0 0 123 -4,-1.5 4,-0.5 1,-0.2 -1,-0.3 0.856 107.5 44.6 -53.6 -40.5 9.1 68.3 56.5 505 74 D A H X< S+ 0 0 0 -3,-1.5 3,-0.6 -4,-0.6 -2,-0.2 0.879 111.1 56.3 -72.6 -34.3 5.8 67.3 54.7 506 75 D V H >< S+ 0 0 17 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.914 107.0 47.0 -60.7 -44.3 3.9 68.0 57.9 507 76 D K T 3< S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 121.8 38.4 -71.6 -12.8 5.2 71.6 58.0 508 77 D N T X + 0 0 66 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.3 -0.362 67.4 156.3-135.6 52.5 4.4 72.1 54.3 509 78 D M T < S+ 0 0 16 -3,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.770 74.2 47.2 -65.5 -21.8 1.2 70.3 53.7 510 79 D D T 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.715 117.4 40.3 -91.2 -18.6 0.2 72.3 50.7 511 80 D N <> + 0 0 93 -3,-1.3 4,-2.6 -6,-0.2 -1,-0.2 -0.301 69.0 133.8-121.2 46.2 3.5 72.1 48.9 512 81 D I H > + 0 0 6 -3,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.899 69.4 58.8 -73.5 -35.3 4.7 68.5 49.5 513 82 D N H 4 S+ 0 0 76 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.914 113.5 38.4 -52.7 -47.8 5.7 67.7 45.9 514 83 D E H >4 S+ 0 0 128 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.937 113.9 54.7 -71.1 -47.0 8.2 70.7 46.0 515 84 D A H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.771 115.2 42.3 -55.4 -25.5 9.3 70.0 49.6 516 85 D Y T 3X S+ 0 0 4 -4,-1.7 4,-3.3 -5,-0.2 -1,-0.3 0.363 79.8 105.0-107.0 1.1 10.1 66.5 48.5 517 86 D S H <> S+ 0 0 68 -3,-1.7 4,-3.1 -4,-0.3 5,-0.2 0.879 85.1 44.5 -56.3 -44.7 11.8 66.9 45.1 518 87 D E H > S+ 0 0 169 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.829 116.5 46.0 -65.3 -37.5 15.4 66.2 46.3 519 88 D L H > S+ 0 0 41 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.826 111.8 54.9 -71.4 -37.5 14.2 63.2 48.3 520 89 D S H X>S+ 0 0 18 -4,-3.3 4,-3.0 2,-0.2 5,-0.8 0.978 109.9 44.0 -54.6 -58.2 12.3 62.3 45.2 521 90 D V H <>S+ 0 0 78 -4,-3.1 5,-1.3 1,-0.2 4,-0.3 0.886 115.5 50.0 -55.6 -38.4 15.4 62.4 43.1 522 91 D L H <>S+ 0 0 66 -4,-1.9 5,-1.9 3,-0.2 -1,-0.2 0.938 119.7 34.7 -65.2 -41.5 17.3 60.5 45.8 523 92 D H H <5S+ 0 0 54 -4,-2.6 6,-2.4 3,-0.2 -2,-0.2 0.818 133.8 21.8 -85.1 -35.0 14.6 57.8 46.1 524 93 D S T <5S+ 0 0 28 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.856 128.0 37.4-107.2 -49.1 13.5 57.5 42.5 525 94 D D T > - 0 0 33 -2,-0.3 3,-2.8 1,-0.2 4,-0.5 -0.469 29.9-121.5 -57.5 130.3 10.2 50.4 43.1 531 100 D P H >> S+ 0 0 79 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.736 108.8 68.6 -55.4 -13.3 7.3 52.9 44.1 532 101 D D H 3> S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.790 89.1 62.8 -75.4 -24.8 5.5 50.0 45.8 533 102 D N H <> S+ 0 0 11 -3,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.789 97.9 55.9 -67.4 -24.0 8.2 49.9 48.6 534 103 D F H < S+ 0 0 34 -4,-2.9 3,-1.7 1,-0.2 2,-0.2 0.761 77.7 174.5 -77.9 -29.3 -1.5 55.0 69.9 550 119 D G G >< S+ 0 0 18 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 -0.450 73.5 13.1 65.1-122.2 -4.0 52.3 70.6 551 120 D D G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.676 124.5 63.3 -64.8 -24.7 -7.5 54.0 71.3 552 121 D A G < S+ 0 0 57 -3,-1.7 2,-2.0 1,-0.2 -1,-0.3 0.673 80.5 82.1 -75.7 -17.2 -6.2 57.3 69.9 553 122 D F S < S+ 0 0 0 -3,-2.0 -1,-0.2 -7,-0.2 -3,-0.1 -0.381 73.6 174.7 -87.2 62.3 -5.7 55.8 66.4 554 123 D T > - 0 0 55 -2,-2.0 4,-2.0 1,-0.1 3,-0.3 -0.034 47.2-100.1 -58.0 169.7 -9.4 56.3 65.7 555 124 D V H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 125.8 50.7 -54.9 -51.4 -10.9 55.5 62.3 556 125 D E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.784 107.0 54.1 -62.3 -30.4 -10.8 59.2 61.3 557 126 D T H > S+ 0 0 16 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.879 108.5 50.1 -67.7 -40.7 -7.1 59.4 62.4 558 127 D Q H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.906 107.6 53.3 -62.8 -44.2 -6.3 56.5 60.1 559 128 D C H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 114.3 42.6 -55.2 -47.9 -8.1 58.2 57.1 560 129 D A H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.957 113.8 49.4 -68.7 -46.0 -6.1 61.3 57.6 561 130 D F H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.925 113.2 47.2 -58.4 -44.3 -2.8 59.6 58.1 562 131 D Q H X S+ 0 0 34 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.863 110.6 51.9 -68.1 -36.1 -3.2 57.4 55.0 563 132 D K H X S+ 0 0 77 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.939 113.1 46.1 -66.9 -36.3 -4.3 60.4 52.9 564 133 D F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.960 113.1 48.7 -65.4 -49.4 -1.1 62.1 54.2 565 134 D L H X S+ 0 0 7 -4,-3.4 4,-3.1 2,-0.2 5,-0.3 0.900 107.7 55.0 -60.9 -35.0 1.0 59.0 53.5 566 135 D A H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.931 108.8 50.0 -66.8 -37.6 -0.5 58.8 49.9 567 136 D V H X S+ 0 0 34 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.886 111.3 46.7 -65.6 -40.7 0.6 62.3 49.4 568 137 D V H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.941 112.3 49.2 -69.0 -42.0 4.1 61.7 50.5 569 138 D V H X S+ 0 0 36 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.905 112.4 47.6 -65.4 -38.3 4.6 58.4 48.5 570 139 D F H >< S+ 0 0 115 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.985 111.8 52.5 -58.6 -53.1 3.3 60.1 45.3 571 140 D A H 3< S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.3 51.1 -47.2 -42.3 5.7 63.0 46.2 572 141 D L H 3< 0 0 20 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.728 360.0 360.0 -72.5 -20.8 8.5 60.5 46.5 573 142 D G << 0 0 59 -3,-1.4 -49,-0.1 -4,-1.2 -48,-0.1 -0.062 360.0 360.0 -95.0 360.0 7.8 58.9 43.0