==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-JUN-04 1TJO . COMPND 2 MOLECULE: IRON-RICH DPSA-HOMOLOG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR K.ZETH,S.OFFERMANN,L.O.ESSEN,D.OESTERHELT . 705 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 74.2 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 . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 13 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 439 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 8 0 4 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 . 8 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 2 A S > 0 0 142 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.2 72.0 69.1 20.7 2 3 A T T 3 + 0 0 144 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.588 360.0 49.7 -80.3 -9.6 68.3 70.1 20.3 3 4 A Q T 3 S+ 0 0 177 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.247 76.6 124.4-115.0 8.8 68.4 69.3 16.6 4 5 A K < - 0 0 117 -3,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.434 55.7-142.9 -73.9 145.5 69.9 65.8 16.6 5 6 A N S S+ 0 0 151 -2,-0.1 284,-0.4 283,-0.0 -1,-0.1 0.943 79.1 77.7 -75.3 -41.3 67.8 63.2 14.8 6 7 A A - 0 0 18 1,-0.1 282,-0.2 282,-0.1 3,-0.1 -0.281 68.7-149.2 -67.9 145.1 68.7 60.4 17.3 7 8 A R S S+ 0 0 145 280,-2.9 2,-0.3 1,-0.3 281,-0.2 0.806 88.1 6.4 -78.8 -34.6 67.0 60.3 20.6 8 9 A A B S-A 287 0A 36 279,-1.7 279,-2.5 281,-0.0 2,-0.5 -0.986 77.1-129.5-146.4 144.6 70.1 58.7 22.2 9 10 A T > - 0 0 30 -2,-0.3 3,-2.2 277,-0.2 277,-0.1 -0.835 33.1-104.3 -99.1 132.7 73.5 58.0 20.7 10 11 A A T 3 S+ 0 0 40 -2,-0.5 276,-0.1 1,-0.3 3,-0.1 -0.213 105.9 24.3 -51.9 139.6 75.0 54.6 20.9 11 12 A G T 3 S+ 0 0 68 79,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.223 93.8 115.9 86.1 -13.7 77.8 54.5 23.5 12 13 A E < - 0 0 115 -3,-2.2 78,-0.4 2,-0.0 2,-0.4 -0.628 46.2-161.9 -86.6 153.3 76.6 57.5 25.6 13 14 A V + 0 0 25 -2,-0.2 76,-0.3 76,-0.2 75,-0.2 -0.986 15.8 175.6-138.2 123.6 75.4 57.0 29.2 14 15 A E - 0 0 152 74,-2.1 9,-0.4 -2,-0.4 74,-0.2 0.591 31.8-140.5-106.0 -7.8 73.3 59.5 31.1 15 16 A G - 0 0 5 72,-1.3 2,-0.3 8,-0.2 -1,-0.3 -0.376 27.4 -87.2 69.6-166.4 72.6 57.7 34.4 16 17 A S B > -B 21 0B 22 5,-2.5 5,-2.6 1,-0.1 4,-0.1 -0.964 20.9-165.8-142.2 130.0 69.2 57.9 36.0 17 18 A D T > 5S+ 0 0 151 -2,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.845 96.8 56.4 -80.4 -33.7 67.7 60.5 38.4 18 19 A A T 3 5S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.903 115.6 38.1 -55.8 -44.5 64.8 58.2 39.2 19 20 A L T 3 5S- 0 0 78 67,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.393 108.3-127.1 -90.1 3.0 67.3 55.6 40.3 20 21 A R T < 5 + 0 0 208 -3,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.909 61.4 140.9 51.0 48.1 69.7 58.1 41.8 21 22 A M B < -B 16 0B 13 -5,-2.6 -5,-2.5 123,-0.0 -1,-0.2 -0.958 45.2-140.5-124.9 107.5 72.6 56.8 39.8 22 23 A D > - 0 0 81 -2,-0.5 4,-2.6 -7,-0.2 3,-0.2 -0.302 23.7-111.2 -62.4 156.8 75.0 59.4 38.5 23 24 A A H > S+ 0 0 37 -9,-0.4 4,-2.7 1,-0.2 -8,-0.2 0.804 113.2 58.1 -65.0 -33.3 76.4 59.0 35.0 24 25 A D H > S+ 0 0 111 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.957 113.3 38.4 -62.5 -47.8 80.0 58.3 36.1 25 26 A R H > S+ 0 0 70 -3,-0.2 4,-1.6 1,-0.2 3,-0.5 0.931 116.9 52.5 -62.8 -48.4 78.9 55.3 38.2 26 27 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.873 102.2 59.1 -60.5 -39.5 76.3 54.2 35.6 27 28 A E H X S+ 0 0 88 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.886 104.3 50.2 -60.4 -38.5 78.9 54.3 32.8 28 29 A Q H X S+ 0 0 81 -4,-1.1 4,-1.4 -3,-0.5 -1,-0.2 0.932 114.3 44.5 -65.5 -43.5 81.1 51.7 34.5 29 30 A C H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.905 112.6 51.4 -64.9 -44.9 78.2 49.4 35.0 30 31 A V H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.897 105.0 56.1 -64.4 -40.2 76.9 49.9 31.5 31 32 A D H X S+ 0 0 98 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.926 113.7 41.9 -55.0 -40.7 80.3 49.1 29.9 32 33 A A H X S+ 0 0 9 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.943 114.9 47.8 -73.3 -49.3 80.2 45.8 31.8 33 34 A L H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.875 110.9 51.3 -62.1 -42.3 76.5 44.9 31.1 34 35 A N H X S+ 0 0 14 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.885 109.0 50.9 -63.9 -37.1 76.7 45.7 27.4 35 36 A A H X S+ 0 0 40 -4,-1.4 4,-1.8 -5,-0.3 68,-0.3 0.934 112.8 46.7 -65.5 -42.6 79.8 43.5 27.0 36 37 A D H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 108.7 55.8 -61.4 -46.5 77.8 40.7 28.8 37 38 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 106.0 50.0 -54.9 -45.3 74.8 41.3 26.7 38 39 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 64,-0.2 0.946 113.5 45.7 -62.3 -45.7 76.7 40.8 23.4 39 40 A N H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.926 112.0 51.5 -65.1 -37.2 78.2 37.5 24.7 40 41 A V H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.875 109.1 50.0 -72.5 -35.5 74.8 36.3 26.0 41 42 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.867 109.7 50.4 -71.6 -33.1 73.1 36.9 22.7 42 43 A V H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.927 112.2 49.2 -63.8 -41.9 75.8 35.1 20.8 43 44 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.942 109.3 52.0 -59.5 -50.4 75.3 32.2 23.2 44 45 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.925 110.7 47.4 -51.8 -50.0 71.6 32.4 22.7 45 46 A H H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.874 113.3 47.4 -67.1 -31.5 72.0 32.1 18.9 46 47 A Q H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.875 110.1 52.1 -78.2 -32.4 74.5 29.2 19.1 47 48 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.912 109.7 51.1 -65.1 -43.4 72.2 27.3 21.6 48 49 A K H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.949 108.7 51.3 -57.8 -47.5 69.4 27.8 19.1 49 50 A K H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.8 44.6 -53.3 -51.0 71.6 26.4 16.3 50 51 A H H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.886 111.1 54.1 -65.5 -40.9 72.5 23.4 18.3 51 52 A H H < S+ 0 0 15 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.0 44.5 -51.3 -47.1 68.8 22.9 19.4 52 53 A W H < S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 121.7 35.5 -67.5 -38.9 67.8 23.0 15.7 53 54 A N H < S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.612 79.8 123.8-100.4 -15.3 70.5 20.7 14.4 54 55 A V < + 0 0 12 -4,-2.0 2,-0.3 -5,-0.2 59,-0.1 -0.214 35.7 171.6 -58.9 136.3 71.0 18.1 17.1 55 56 A E + 0 0 74 7,-0.0 3,-0.2 8,-0.0 2,-0.2 -0.922 21.2 48.2-138.1 165.2 70.6 14.5 15.9 56 57 A G S > S- 0 0 49 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 -0.599 95.0 -21.8 104.1-161.8 71.1 10.9 17.1 57 58 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.722 137.7 29.6 -63.5 -27.4 70.5 8.6 20.0 58 59 A E T 3> S+ 0 0 48 -3,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.173 86.4 117.9-110.6 17.3 70.0 11.4 22.7 59 60 A F H <> + 0 0 92 -3,-1.9 4,-2.8 1,-0.2 5,-0.1 0.822 69.1 51.1 -68.2 -32.1 68.7 14.1 20.4 60 61 A R H > S+ 0 0 170 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.948 111.4 46.9 -72.6 -42.7 65.3 14.7 21.8 61 62 A D H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 117.3 45.3 -60.3 -43.7 66.5 15.2 25.4 62 63 A L H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.894 108.8 55.4 -68.9 -36.4 69.2 17.5 24.1 63 64 A H H X S+ 0 0 44 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.948 112.4 43.2 -59.5 -44.5 66.8 19.3 21.8 64 65 A L H X S+ 0 0 75 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 115.5 48.4 -67.1 -47.6 64.6 20.1 24.9 65 66 A F H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.913 113.0 46.9 -59.6 -47.3 67.6 21.0 27.1 66 67 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.866 110.7 52.5 -68.2 -35.2 69.1 23.3 24.4 67 68 A G H X S+ 0 0 19 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.929 112.3 45.1 -63.7 -45.6 65.8 25.0 23.8 68 69 A E H X S+ 0 0 97 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.893 112.4 52.5 -62.1 -41.5 65.4 25.7 27.6 69 70 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 109.4 49.2 -63.6 -41.0 69.0 26.9 27.8 70 71 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.896 108.6 52.4 -65.6 -40.2 68.4 29.3 24.9 71 72 A E H X S+ 0 0 108 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 109.6 50.6 -62.0 -38.1 65.3 30.6 26.6 72 73 A T H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 110.9 47.9 -63.5 -46.1 67.3 31.2 29.7 73 74 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.906 110.0 52.4 -64.4 -36.9 70.0 33.1 27.8 74 75 A E H X S+ 0 0 29 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.906 110.3 48.8 -62.3 -41.5 67.3 35.1 26.1 75 76 A E H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.874 111.1 48.9 -67.5 -41.5 65.9 36.1 29.5 76 77 A V H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 110.4 51.8 -65.5 -42.2 69.3 37.0 30.9 77 78 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.906 108.3 52.2 -58.2 -39.9 70.0 39.2 27.8 78 79 A D H X S+ 0 0 29 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.935 110.1 47.6 -64.6 -42.8 66.7 40.9 28.3 79 80 A E H X S+ 0 0 98 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 113.7 47.3 -66.5 -40.5 67.5 41.7 31.9 80 81 A L H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.935 114.0 46.9 -67.9 -44.8 71.0 43.0 30.9 81 82 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.908 112.2 49.5 -64.2 -43.2 69.7 45.1 28.1 82 83 A E H X S+ 0 0 49 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.874 111.2 50.6 -65.3 -33.4 66.8 46.6 30.2 83 84 A R H X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 107.6 52.7 -69.5 -41.7 69.4 47.4 33.0 84 85 A V H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.2 0.952 113.0 45.1 -53.6 -48.7 71.7 49.2 30.5 85 86 A Q H ><5S+ 0 0 38 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.913 109.6 54.2 -64.2 -39.7 68.7 51.2 29.4 86 87 A A H 3<5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -67,-0.2 0.814 106.4 53.2 -63.3 -32.4 67.6 51.9 33.0 87 88 A L T 3<5S- 0 0 0 -4,-2.0 -72,-1.3 -3,-0.2 -1,-0.3 0.310 127.6-100.3 -86.9 6.4 71.0 53.2 33.8 88 89 A G T < 5S+ 0 0 13 -3,-1.9 -74,-2.1 1,-0.3 -3,-0.2 0.665 83.1 119.6 87.1 17.6 70.8 55.6 30.8 89 90 A G < - 0 0 5 -5,-2.5 -1,-0.3 -76,-0.3 -76,-0.2 -0.482 65.7-109.3 -99.8-179.2 72.8 53.7 28.3 90 91 A V - 0 0 9 -78,-0.4 -79,-0.3 -2,-0.2 2,-0.1 -0.929 30.2-137.9-115.1 108.9 72.1 52.2 24.9 91 92 A P - 0 0 1 0, 0.0 -10,-0.1 0, 0.0 138,-0.0 -0.390 30.1-101.7 -67.2 141.7 72.0 48.4 24.8 92 93 A H + 0 0 28 1,-0.1 -11,-0.0 -2,-0.1 193,-0.0 -0.423 52.6 167.9 -60.8 139.3 73.7 46.7 21.8 93 94 A A + 0 0 2 -3,-0.1 -1,-0.1 -2,-0.0 132,-0.1 0.769 35.3 77.9-126.7 -54.3 70.9 45.8 19.5 94 95 A S S > S- 0 0 12 1,-0.1 4,-2.7 189,-0.1 5,-0.2 -0.363 76.3-121.0 -70.5 152.3 71.5 44.7 15.9 95 96 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 177,-0.3 0.908 114.5 51.7 -58.0 -44.4 72.8 41.1 15.3 96 97 A E H > S+ 0 0 114 175,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 111.5 47.6 -57.5 -44.8 75.9 42.4 13.7 97 98 A T H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 109.7 51.9 -60.4 -48.1 76.6 44.7 16.6 98 99 A L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.933 114.1 42.4 -56.6 -46.4 76.0 42.0 19.2 99 100 A Q H >< S+ 0 0 28 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.904 113.6 53.0 -71.6 -37.9 78.5 39.6 17.5 100 101 A A H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.876 113.5 43.2 -61.0 -39.5 81.0 42.4 16.9 101 102 A E H 3< S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.2 0.587 94.3 102.0 -84.0 -10.9 81.0 43.4 20.5 102 103 A A << - 0 0 17 -4,-0.8 -66,-0.1 -3,-0.5 -67,-0.1 -0.550 53.2-164.4 -76.9 139.2 81.1 39.8 21.8 103 104 A S + 0 0 92 -68,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.595 60.8 96.6 -91.7 -17.7 84.4 38.4 23.0 104 105 A V S S- 0 0 9 1,-0.1 2,-0.4 20,-0.0 20,-0.1 -0.276 82.6-101.5 -76.9 164.0 83.4 34.8 22.9 105 106 A D - 0 0 122 15,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.705 33.4-155.4 -90.2 130.5 84.1 32.4 20.0 106 107 A V - 0 0 53 -2,-0.4 2,-0.1 -7,-0.1 -63,-0.0 -0.840 18.1-116.6-106.0 137.6 81.3 31.7 17.6 107 108 A E - 0 0 13 -2,-0.4 163,-0.1 1,-0.1 4,-0.0 -0.426 31.2-114.8 -62.0 149.5 81.0 28.5 15.4 108 109 A D - 0 0 89 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.153 42.6 -88.8 -73.1 179.8 81.2 29.0 11.7 109 110 A E S S+ 0 0 30 2,-0.1 -1,-0.1 77,-0.1 2,-0.1 0.507 95.7 98.8 -82.1 -2.7 78.0 28.1 9.8 110 111 A D S S- 0 0 41 75,-0.1 2,-0.5 76,-0.1 75,-0.2 -0.393 77.4-114.5 -75.3 162.8 78.7 24.4 9.2 111 112 A V B -C 184 0C 10 73,-2.6 72,-2.2 -2,-0.1 73,-1.5 -0.896 31.3-164.9-103.3 127.8 77.1 21.9 11.5 112 113 A Y - 0 0 58 -2,-0.5 5,-0.0 70,-0.2 -59,-0.0 -0.637 31.6 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50.5 -61.0 -41.4 61.6 44.7 18.1 224 49 B K H X S+ 0 0 17 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.924 109.2 51.6 -57.7 -48.3 63.7 43.9 21.1 225 50 B K H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.945 112.6 43.9 -54.3 -50.3 65.6 47.2 20.6 226 51 B H H X S+ 0 0 5 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.877 112.1 54.1 -67.7 -35.5 62.4 49.2 20.4 227 52 B H H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 112.2 44.6 -59.7 -46.7 60.9 47.2 23.4 228 53 B W H < S+ 0 0 7 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 121.4 36.5 -66.0 -39.8 64.0 48.1 25.6 229 54 B N H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.574 77.9 125.2 -97.8 -13.0 64.2 51.8 24.6 230 55 B V < + 0 0 12 -4,-1.8 2,-0.3 -5,-0.2 59,-0.1 -0.251 35.2 174.1 -61.4 135.5 60.6 53.0 24.2 231 56 B E + 0 0 76 7,-0.0 3,-0.2 8,-0.0 59,-0.2 -0.884 23.0 44.9-135.7 159.8 59.9 56.1 26.4 232 57 B G S > S- 0 0 48 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 -0.484 94.8 -22.0 106.5-166.3 57.1 58.5 26.9 233 58 B A T 3 S+ 0 0 101 1,-0.3 -1,-0.2 -2,-0.2 3,-0.2 0.742 137.1 29.8 -58.8 -30.4 53.3 58.8 27.4 234 59 B E T 3> S+ 0 0 110 -3,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.126 86.5 116.6-108.1 18.5 52.4 55.5 25.8 235 60 B F H <> + 0 0 92 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 0.826 69.2 52.4 -70.6 -31.2 55.6 53.6 26.6 236 61 B R H > S+ 0 0 173 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.948 111.5 46.4 -73.7 -43.1 54.3 50.9 28.9 237 62 B D H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 116.9 45.6 -59.7 -43.4 51.6 49.7 26.4 238 63 B L H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.866 108.9 54.8 -67.4 -40.5 54.2 49.8 23.7 239 64 B H H X S+ 0 0 41 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.953 112.8 43.9 -58.8 -46.2 56.8 48.0 25.8 240 65 B L H X S+ 0 0 73 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.934 115.2 47.6 -61.9 -49.1 54.3 45.2 26.3 241 66 B F H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.924 113.7 47.2 -59.1 -46.4 53.2 45.1 22.7 242 67 B L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.832 110.0 52.8 -70.6 -35.7 56.8 45.1 21.3 243 68 B G H X S+ 0 0 18 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.920 112.6 45.3 -62.4 -43.4 57.8 42.4 23.7 244 69 B E H X S+ 0 0 107 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 111.6 51.5 -67.1 -40.0 54.9 40.3 22.6 245 70 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.902 109.9 50.7 -63.8 -39.5 55.7 41.0 18.9 246 71 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.918 108.3 52.4 -63.9 -43.4 59.3 40.0 19.5 247 72 B E H X S+ 0 0 113 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 110.0 48.4 -54.6 -45.3 58.1 36.7 21.1 248 73 B T H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.3 49.4 -64.9 -43.9 56.0 36.1 18.0 249 74 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.926 109.8 52.0 -63.2 -40.2 58.9 36.8 15.7 250 75 B E H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.919 110.5 47.9 -61.0 -41.8 61.1 34.5 17.8 251 76 B E H X S+ 0 0 103 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 111.4 49.8 -70.6 -37.5 58.6 31.6 17.5 252 77 B V H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.940 110.6 50.9 -63.6 -44.6 58.2 32.1 13.7 253 78 B A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.919 108.7 51.7 -59.5 -42.6 62.0 32.1 13.4 254 79 B D H X S+ 0 0 28 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.915 111.0 47.1 -61.0 -41.1 62.1 28.8 15.3 255 80 B E H X S+ 0 0 102 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.903 113.0 49.2 -67.6 -39.2 59.5 27.2 13.1 256 81 B L H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.943 113.6 45.7 -63.5 -49.4 61.3 28.4 10.0 257 82 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.877 111.9 50.6 -62.7 -41.9 64.6 27.1 11.2 258 83 B E H X S+ 0 0 53 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.862 110.3 51.2 -66.3 -34.1 63.3 23.7 12.3 259 84 B R H X S+ 0 0 37 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.894 107.6 52.4 -72.2 -40.8 61.6 23.3 9.0 260 85 B V H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.2 0.928 113.2 44.6 -52.1 -50.6 64.9 24.0 7.2 261 86 B Q H ><5S+ 0 0 39 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.892 110.0 54.8 -64.6 -42.9 66.6 21.4 9.2 262 87 B A H 3<5S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -67,-0.2 0.811 105.3 53.7 -59.5 -36.0 63.7 19.0 8.7 263 88 B L T 3<5S- 0 0 0 -4,-1.8 -72,-1.1 -3,-0.2 -1,-0.3 0.299 128.0 -98.2 -82.7 7.4 64.0 19.3 4.9 264 89 B G 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4,-1.0 2,-0.2 -2,-0.2 0.942 113.7 43.6 -60.9 -47.4 71.4 36.3 9.9 275 100 B Q H >< S+ 0 0 22 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.925 114.1 50.6 -67.5 -39.4 71.9 40.1 9.4 276 101 B A H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.9 44.8 -60.0 -42.6 74.1 39.5 6.3 277 102 B E H 3< S+ 0 0 107 -4,-2.5 -1,-0.2 -5,-0.2 -62,-0.2 0.615 93.2 100.0 -80.4 -12.7 71.5 37.2 4.8 278 103 B A << - 0 0 16 -4,-1.0 -66,-0.1 -3,-0.5 -67,-0.1 -0.532 55.7-162.0 -76.2 142.8 68.6 39.5 5.6 279 104 B S + 0 0 92 -68,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.574 62.9 92.8 -94.3 -18.8 67.2 41.7 2.8 280 105 B V S S- 0 0 10 1,-0.1 2,-0.3 20,-0.0 20,-0.1 -0.352 84.0-100.5 -76.7 159.0 65.4 44.2 5.1 281 106 B D - 0 0 137 15,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.635 33.3-155.8 -81.3 137.3 66.9 47.4 6.4 282 107 B V - 0 0 48 -2,-0.3 -63,-0.0 -7,-0.0 -188,-0.0 -0.912 19.8-112.6-111.7 133.9 68.2 47.4 9.9 283 108 B E - 0 0 12 -2,-0.4 -189,-0.1 1,-0.1 4,-0.0 -0.340 30.3-115.2 -58.4 145.5 68.6 50.5 12.1 284 109 B D - 0 0 80 1,-0.1 -1,-0.1 -191,-0.0 0, 0.0 -0.155 44.8 -88.4 -64.8 174.3 72.0 51.8 13.1 285 110 B E S S+ 0 0 29 2,-0.1 -274,-0.1 -192,-0.0 -1,-0.1 0.527 96.0 102.0 -77.4 -4.8 72.8 51.6 16.8 286 111 B D S S- 0 0 44 -277,-0.1 2,-0.5 -276,-0.1 -277,-0.2 -0.381 76.6-117.1 -70.2 158.4 71.4 55.0 17.7 287 112 B V B -A 8 0A 8 -279,-2.5 -280,-2.9 -2,-0.1 -279,-1.7 -0.889 30.6-160.1 -99.7 124.5 68.0 55.1 19.4 288 113 B Y - 0 0 44 -2,-0.5 -282,-0.1 -282,-0.2 -283,-0.0 -0.611 29.8 -85.2 -99.9 163.9 65.3 56.9 17.4 289 114 B D > - 0 0 74 -284,-0.4 4,-2.7 -2,-0.2 5,-0.2 -0.169 48.2-103.5 -64.7 165.0 62.0 58.4 18.6 290 115 B I H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 117.9 53.1 -69.8 -36.4 59.1 55.9 18.8 291 116 B R H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 114.0 44.0 -60.6 -44.3 57.3 57.1 15.7 292 117 B T H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 113.5 51.6 -62.6 -45.8 60.5 56.6 13.6 293 118 B S H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 112.5 44.9 -58.7 -50.1 61.2 53.3 15.3 294 119 B L H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.867 109.8 54.3 -66.0 -38.4 57.8 51.9 14.6 295 120 B A H X S+ 0 0 43 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.925 108.0 51.1 -63.3 -38.7 57.8 53.1 11.0 296 121 B N H X S+ 0 0 63 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.909 111.4 47.9 -60.2 -43.6 61.1 51.3 10.5 297 122 B D H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.901 106.3 57.3 -64.5 -38.8 59.5 48.1 11.9 298 123 B M H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.844 105.1 51.9 -61.2 -36.0 56.4 48.5 9.7 299 124 B A H X S+ 0 0 57 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 108.4 49.9 -70.0 -38.6 58.6 48.5 6.6 300 125 B I H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.953 111.2 50.0 -63.2 -47.8 60.4 45.3 7.8 301 126 B Y H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.917 108.5 51.9 -55.5 -49.9 57.0 43.6 8.4 302 127 B G H X S+ 0 0 29 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.936 109.8 49.1 -58.7 -42.2 55.7 44.6 5.0 303 128 B D H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.932 114.3 45.6 -62.6 -45.2 58.7 43.1 3.2 304 129 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.891 111.2 52.4 -63.8 -41.9 58.4 39.8 5.2 305 130 B I H X S+ 0 0 15 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.930 110.2 47.9 -61.4 -47.6 54.7 39.6 4.6 306 131 B E H X S+ 0 0 118 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.919 114.7 46.5 -59.2 -44.4 55.1 40.0 0.8 307 132 B A H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.890 109.9 53.1 -65.1 -43.4 57.8 37.4 0.8 308 133 B T H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.871 105.6 53.7 -62.9 -37.8 55.9 35.0 2.9 309 134 B R H X S+ 0 0 111 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.941 111.1 46.8 -61.9 -41.7 52.9 35.2 0.6 310 135 B E H X S+ 0 0 125 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.892 112.2 50.7 -65.6 -39.4 55.2 34.3 -2.3 311 136 B H H X S+ 0 0 31 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.824 104.5 55.9 -71.7 -30.9 56.8 31.5 -0.4 312 137 B T H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.931 109.6 47.2 -64.4 -43.7 53.4 29.9 0.6 313 138 B E H X S+ 0 0 124 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.908 111.1 52.3 -62.3 -43.0 52.5 29.7 -3.1 314 139 B L H X S+ 0 0 57 -4,-2.1 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43.3 -61.5 -45.7 52.2 -6.8 64.2 557 30 D C H X S+ 0 0 4 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.920 113.2 51.9 -64.5 -45.7 51.4 -4.2 61.5 558 31 D V H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.878 104.7 55.1 -60.9 -39.9 53.8 -1.6 63.0 559 32 D D H X S+ 0 0 90 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.905 113.5 43.1 -64.2 -38.3 56.8 -4.0 63.2 560 33 D A H X S+ 0 0 11 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.926 115.4 47.2 -67.6 -48.2 56.3 -4.6 59.4 561 34 D L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.842 111.0 51.2 -66.9 -35.3 55.7 -1.0 58.5 562 35 D N H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.874 109.5 50.6 -71.6 -35.1 58.7 0.3 60.5 563 36 D A H X S+ 0 0 40 -4,-1.3 4,-1.8 -5,-0.3 68,-0.3 0.926 113.2 46.5 -63.9 -43.0 61.0 -2.2 58.8 564 37 D D H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.904 108.3 56.5 -64.6 -46.4 59.7 -1.1 55.5 565 38 D L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.902 106.3 49.5 -49.6 -46.0 60.1 2.6 56.5 566 39 D A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 64,-0.2 0.953 113.4 45.6 -64.6 -43.3 63.8 2.1 57.2 567 40 D N H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.896 112.5 51.0 -67.1 -39.8 64.4 0.4 53.9 568 41 D V H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.879 109.6 49.5 -67.9 -35.3 62.4 3.0 51.9 569 42 D Y H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.860 109.9 51.0 -73.6 -32.8 64.3 5.9 53.5 570 43 D V H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.4 49.5 -62.2 -43.1 67.6 4.2 52.7 571 44 D L H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.939 108.9 52.4 -58.9 -47.0 66.3 3.9 49.1 572 45 D Y H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.934 110.7 46.9 -53.9 -47.6 65.3 7.6 49.1 573 46 D H H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.867 113.2 47.9 -70.3 -30.9 68.8 8.6 50.1 574 47 D Q H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.889 110.2 51.6 -79.4 -35.2 70.5 6.4 47.6 575 48 D L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.905 109.5 51.0 -64.7 -38.4 68.2 7.6 44.8 576 49 D K H X S+ 0 0 13 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.944 108.4 52.4 -62.2 -43.9 69.1 11.2 45.8 577 50 D K H 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4,-2.7 -5,-0.2 -2,-0.2 0.900 108.4 50.8 -61.5 -40.5 61.8 8.2 42.0 598 71 D A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 108.8 51.5 -62.2 -42.9 63.3 9.8 45.1 599 72 D E H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 109.7 50.4 -62.9 -39.9 60.1 11.9 45.5 600 73 D T H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.943 111.1 48.3 -62.9 -44.9 58.0 8.7 45.2 601 74 D A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.901 109.8 51.9 -60.9 -40.0 60.1 7.0 47.9 602 75 D E H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 110.7 48.3 -65.7 -39.1 59.8 10.0 50.2 603 76 D E H X S+ 0 0 107 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.0 49.6 -68.7 -40.2 56.0 9.9 49.8 604 77 D V H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.933 110.9 51.1 -61.8 -42.1 55.8 6.2 50.5 605 78 D A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.922 108.8 51.0 -60.6 -45.1 58.0 6.7 53.6 606 79 D D H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.918 110.8 48.9 -60.5 -42.1 55.7 9.5 54.8 607 80 D E H X S+ 0 0 100 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 112.9 46.5 -63.3 -43.7 52.7 7.2 54.4 608 81 D L H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 114.1 47.8 -64.2 -47.5 54.4 4.3 56.2 609 82 D A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 111.8 49.3 -65.3 -40.4 55.6 6.5 59.1 610 83 D E H X S+ 0 0 51 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.903 111.0 50.3 -68.9 -34.2 52.2 8.2 59.4 611 84 D R H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 108.5 52.3 -68.5 -41.7 50.5 4.8 59.5 612 85 D V H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 -2,-0.2 0.941 113.1 44.6 -52.4 -50.9 52.9 3.6 62.2 613 86 D Q H ><5S+ 0 0 38 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.906 110.4 54.8 -65.3 -40.1 52.1 6.7 64.3 614 87 D A H 3<5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -67,-0.2 0.827 106.0 52.0 -63.9 -30.7 48.3 6.2 63.6 615 88 D L T 3<5S- 0 0 0 -4,-1.9 -72,-1.2 -3,-0.2 -1,-0.3 0.260 128.7 -98.2 -88.1 9.7 48.5 2.7 65.0 616 89 D G T < 5S+ 0 0 11 -3,-1.8 -74,-2.1 1,-0.2 -3,-0.2 0.623 83.4 125.7 82.2 17.6 50.2 3.9 68.1 617 90 D G < - 0 0 4 -5,-2.9 -1,-0.2 -76,-0.3 -76,-0.2 -0.374 62.7-116.0 -95.7 178.0 53.8 3.2 67.1 618 91 D V - 0 0 8 -78,-0.4 -79,-0.3 -2,-0.1 2,-0.1 -0.942 29.9-138.4-118.2 108.9 56.9 5.2 67.0 619 92 D P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.429 29.9-101.1 -65.9 139.4 58.3 5.6 63.4 620 93 D H + 0 0 28 1,-0.1 -11,-0.0 -2,-0.1 -159,-0.0 -0.406 52.9 168.9 -57.7 136.1 62.0 5.3 63.0 621 94 D A + 0 0 2 -3,-0.1 -1,-0.1 -2,-0.1 -220,-0.1 0.796 36.0 74.7-124.6 -52.3 63.3 8.8 62.6 622 95 D S S > S- 0 0 8 1,-0.1 4,-2.9 -163,-0.1 5,-0.2 -0.360 77.1-118.9 -75.7 154.5 66.9 9.7 62.8 623 96 D P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.906 114.4 51.7 -56.9 -38.3 69.2 8.9 59.9 624 97 D E H > S+ 0 0 111 -177,-0.2 4,-2.3 1,-0.2 5,-0.1 0.890 111.8 46.8 -70.4 -37.9 71.4 6.6 62.0 625 98 D T H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.3 53.1 -64.8 -46.3 68.3 4.7 63.2 626 99 D L H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.947 113.6 41.9 -56.4 -46.2 66.9 4.5 59.7 627 100 D Q H >< S+ 0 0 26 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.916 114.3 52.0 -71.1 -36.6 70.1 3.0 58.3 628 101 D A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.9 44.5 -65.2 -35.8 70.6 0.7 61.3 629 102 D E H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.592 93.2 102.8 -86.6 -11.6 67.0 -0.7 61.0 630 103 D A << - 0 0 16 -4,-1.0 -66,-0.1 -3,-0.5 -67,-0.1 -0.489 53.8-163.8 -72.3 136.0 67.3 -1.1 57.2 631 104 D S + 0 0 94 -68,-0.3 -1,-0.1 -2,-0.2 -67,-0.1 0.678 62.4 91.5 -90.5 -22.8 67.9 -4.7 56.0 632 105 D V S S- 0 0 9 1,-0.1 2,-0.2 20,-0.0 20,-0.1 -0.258 83.7-101.6 -75.0 164.0 68.9 -3.6 52.5 633 106 D D - 0 0 135 15,-0.1 2,-0.4 18,-0.0 -1,-0.1 -0.593 32.8-155.8 -84.2 141.7 72.5 -2.9 51.4 634 107 D V - 0 0 46 -2,-0.2 -63,-0.0 18,-0.0 -188,-0.0 -0.959 19.2-113.1-122.7 137.6 73.7 0.6 51.1 635 108 D E - 0 0 16 -2,-0.4 -189,-0.1 1,-0.1 4,-0.0 -0.326 31.2-114.5 -62.1 147.6 76.5 1.9 48.9 636 109 D D - 0 0 86 1,-0.1 -1,-0.1 -191,-0.0 0, 0.0 -0.143 44.6 -87.2 -69.1 178.7 79.6 3.3 50.6 637 110 D E S S+ 0 0 28 2,-0.1 -274,-0.1 -192,-0.0 2,-0.1 0.497 96.2 100.9 -79.7 -1.8 80.3 7.0 50.0 638 111 D D S S- 0 0 40 -277,-0.1 2,-0.5 -276,-0.1 -277,-0.2 -0.467 76.7-116.3 -73.7 160.1 82.2 6.6 46.8 639 112 D V B -E 360 0E 10 -279,-2.3 -280,-2.1 -2,-0.1 -279,-1.6 -0.847 30.8-161.3 -99.3 128.0 80.4 7.4 43.5 640 113 D Y - 0 0 57 -2,-0.5 -59,-0.0 -282,-0.2 -5,-0.0 -0.617 30.0 -85.4-106.2 162.4 80.0 4.5 41.1 641 114 D D > - 0 0 55 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.150 48.7-101.5 -60.6 164.9 79.3 4.5 37.4 642 115 D I H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 118.3 51.8 -67.9 -35.0 75.6 4.6 36.4 643 116 D R H > S+ 0 0 71 -470,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.929 113.6 45.4 -65.9 -43.0 75.1 1.0 35.6 644 117 D T H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 114.4 49.2 -60.6 -46.1 76.5 -0.1 39.0 645 118 D S H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.940 112.5 46.0 -62.2 -51.0 74.5 2.5 40.8 646 119 D L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.894 110.7 53.5 -62.4 -39.4 71.2 1.6 39.1 647 120 D A H X S+ 0 0 44 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.904 107.5 51.4 -61.6 -39.2 71.8 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