==== 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 OXIDOREDUCTASE 30-MAY-03 1PJ0 . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.C.VOEGTLI,M.SOMMERHALTER,L.SALEH,J.BALDWIN,J.M.BOLLINGER J . 680 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 77.2 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 . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 21 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 2 0 3 1 0 2 1 1 0 0 0 3 0 2 0 2 0 0 0 0 0 2 2 3 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 . 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 A 0 0 91 0, 0.0 2,-0.2 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 5.6 87.9 140.5 85.2 2 2 A Y - 0 0 19 497,-0.1 2,-0.4 163,-0.1 501,-0.1 -0.577 360.0-164.4 -80.1 145.4 88.5 137.1 83.6 3 3 A T - 0 0 29 -2,-0.2 3,-0.4 94,-0.1 493,-0.1 -0.996 27.3-144.9-137.2 141.0 91.9 135.5 84.0 4 4 A T S S+ 0 0 0 -2,-0.4 427,-0.2 491,-0.3 426,-0.1 0.593 100.4 22.0 -74.6 -12.8 93.8 132.7 82.3 5 5 A F S S- 0 0 7 490,-0.1 -1,-0.3 487,-0.1 19,-0.2 -0.558 77.0-150.5-157.7 89.4 95.4 131.7 85.6 6 6 A S - 0 0 8 -3,-0.4 19,-0.1 16,-0.2 -4,-0.0 -0.391 7.5-150.0 -62.2 130.0 93.8 132.8 88.9 7 7 A Q + 0 0 76 -2,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.383 64.2 104.7 -85.7 3.1 96.5 133.2 91.6 8 8 A T S S- 0 0 91 1,-0.0 2,-0.8 475,-0.0 16,-0.1 -0.762 74.8-129.0 -88.0 123.4 94.3 132.2 94.5 9 9 A K + 0 0 125 -2,-0.6 2,-0.3 473,-0.1 -2,-0.1 -0.611 45.1 174.1 -70.1 108.6 95.1 128.8 95.8 10 10 A N - 0 0 24 -2,-0.8 2,-1.0 11,-0.0 14,-0.1 -0.840 41.5-111.2-122.8 159.8 91.6 127.3 95.8 11 11 A D > - 0 0 70 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 -0.774 26.3-167.4 -88.2 103.9 89.9 124.0 96.5 12 12 A Q T 3 S+ 0 0 9 -2,-1.0 3,-0.4 1,-0.3 20,-0.2 0.690 83.1 66.5 -65.3 -20.1 88.6 123.0 93.1 13 13 A L T 3 S+ 0 0 62 1,-0.2 -1,-0.3 18,-0.1 -2,-0.0 0.723 104.6 44.8 -73.6 -19.6 86.5 120.2 94.6 14 14 A K S < S+ 0 0 166 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.450 88.6 103.3-103.8 -3.5 84.4 122.9 96.3 15 15 A E S S- 0 0 34 -3,-0.4 2,-0.1 -4,-0.4 4,-0.1 -0.423 76.1-113.7 -75.8 156.1 83.9 125.3 93.4 16 16 A P - 0 0 29 0, 0.0 4,-0.3 0, 0.0 84,-0.2 -0.399 31.6-105.8 -80.9 169.8 80.5 125.2 91.7 17 17 A M S S+ 0 0 0 82,-0.1 83,-2.8 1,-0.1 84,-0.6 0.923 100.8 22.3 -62.3 -43.8 80.5 124.1 88.0 18 18 A F B S+A 99 0A 5 81,-0.3 81,-0.2 82,-0.2 -1,-0.1 -0.881 117.7 20.0-126.4 156.2 80.1 127.6 86.7 19 19 A F S S+ 0 0 23 79,-2.7 80,-0.1 -2,-0.3 -1,-0.1 0.548 89.3 112.1 67.7 12.1 80.7 131.2 87.9 20 20 A G S S- 0 0 24 78,-0.4 -1,-0.2 -4,-0.3 81,-0.1 -0.080 84.3 -41.7 -93.0-159.0 83.2 130.3 90.6 21 21 A Q S S- 0 0 37 79,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.424 74.5 -99.1 -66.3 137.8 86.9 131.1 90.5 22 22 A P - 0 0 32 0, 0.0 -16,-0.2 0, 0.0 2,-0.2 -0.299 48.1 -97.1 -57.3 143.4 88.4 130.7 87.1 23 23 A V + 0 0 3 76,-0.9 -17,-0.2 1,-0.1 3,-0.1 -0.428 47.0 173.8 -63.9 126.5 90.3 127.3 86.9 24 24 A N + 0 0 4 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.808 60.0 38.2 -97.2 -79.4 94.0 127.7 87.4 25 25 A V S S- 0 0 2 -19,-0.1 2,-0.9 1,-0.1 -1,-0.3 -0.543 71.9-142.0 -77.7 132.3 95.8 124.4 87.6 26 26 A A + 0 0 2 396,-0.3 2,-0.3 -2,-0.3 438,-0.1 -0.833 36.5 160.7 -94.6 104.4 94.6 121.7 85.2 27 27 A R - 0 0 13 -2,-0.9 434,-0.1 3,-0.1 3,-0.0 -0.930 27.3-172.7-124.5 149.0 94.9 118.5 87.3 28 28 A Y + 0 0 9 -2,-0.3 3,-0.1 432,-0.2 -1,-0.0 0.141 62.1 95.5-129.7 20.6 93.1 115.2 86.6 29 29 A D S S+ 0 0 27 1,-0.1 2,-0.3 445,-0.0 -1,-0.1 0.547 98.4 10.1 -86.9 -10.2 94.0 113.1 89.7 30 30 A Q - 0 0 48 -3,-0.0 2,-0.3 3,-0.0 -3,-0.1 -0.960 66.6-172.6-158.0 166.1 90.7 114.1 91.4 31 31 A Q - 0 0 54 -2,-0.3 3,-0.3 1,-0.1 -18,-0.1 -0.981 34.6-128.6-165.4 156.2 87.4 115.8 90.5 32 32 A K S S+ 0 0 56 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.900 111.0 24.8 -72.2 -41.8 84.2 117.1 92.0 33 33 A Y >> - 0 0 27 1,-0.1 3,-1.2 -3,-0.1 4,-0.6 -0.926 68.0-167.4-127.5 104.5 82.2 115.1 89.5 34 34 A D H 3> S+ 0 0 89 -2,-0.5 4,-2.7 -3,-0.3 5,-0.2 0.689 78.4 80.6 -65.8 -18.0 84.0 112.1 88.0 35 35 A I H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 91.9 51.4 -56.2 -37.2 81.4 111.7 85.3 36 36 A F H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.878 108.9 48.7 -69.5 -36.1 83.3 114.5 83.3 37 37 A E H X S+ 0 0 11 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.906 111.9 50.7 -68.1 -38.7 86.6 112.7 83.7 38 38 A K H X S+ 0 0 111 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.896 109.9 50.0 -64.2 -40.2 85.0 109.5 82.5 39 39 A L H X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.898 109.7 50.5 -65.1 -40.1 83.5 111.4 79.5 40 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.961 111.7 48.5 -61.2 -49.7 86.9 112.8 78.7 41 41 A E H X S+ 0 0 77 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.908 113.9 45.9 -55.9 -46.7 88.5 109.4 78.8 42 42 A K H X S+ 0 0 106 -4,-2.5 4,-0.8 2,-0.2 3,-0.3 0.938 112.0 49.7 -64.9 -48.3 85.7 107.9 76.6 43 43 A Q H >< S+ 0 0 8 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.902 109.3 52.7 -58.9 -40.5 85.8 110.7 74.0 44 44 A L H >< S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.855 107.1 52.8 -64.0 -32.6 89.6 110.3 73.8 45 45 A S H 3< S+ 0 0 57 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.639 105.8 56.0 -76.2 -14.1 89.2 106.6 73.2 46 46 A F T << S+ 0 0 25 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.364 74.1 136.5 -97.7 1.6 86.7 107.4 70.3 47 47 A F < + 0 0 63 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.1 -0.234 30.7 177.4 -51.4 132.9 89.2 109.6 68.4 48 48 A F - 0 0 19 185,-0.0 -2,-0.1 4,-0.0 -1,-0.0 -0.952 33.7-125.0-140.0 160.0 89.0 108.8 64.6 49 49 A R >> - 0 0 45 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 -0.906 18.4-162.9-109.1 104.4 90.5 110.0 61.4 50 50 A P G >4 S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.893 87.1 57.0 -49.3 -53.2 87.6 111.0 58.9 51 51 A E G 34 S+ 0 0 55 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.645 93.8 70.0 -59.0 -16.2 89.8 110.9 55.8 52 52 A E G <4 S+ 0 0 159 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.813 79.6 92.1 -71.5 -29.5 90.7 107.3 56.5 53 53 A V S << S- 0 0 22 -3,-1.9 2,-0.4 -4,-0.5 173,-0.1 -0.523 84.1-123.2 -71.3 122.4 87.2 106.2 55.7 54 54 A D + 0 0 102 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.504 40.7 162.0 -69.2 122.4 86.8 105.2 52.1 55 55 A V > + 0 0 3 -2,-0.4 4,-0.8 -4,-0.1 3,-0.5 0.167 42.1 106.8-125.2 14.3 84.1 107.3 50.4 56 56 A S H >> S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.870 79.9 54.9 -62.0 -36.1 85.0 106.7 46.8 57 57 A R H 3> S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.799 98.4 65.7 -66.9 -27.9 82.0 104.4 46.4 58 58 A D H 3> S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.811 92.5 58.7 -65.4 -32.7 79.8 107.2 47.7 59 59 A R H < S+ 0 0 27 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.921 112.5 46.6 -55.1 -54.0 75.2 109.9 45.1 63 63 A Q H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 112.2 51.9 -59.4 -37.6 75.4 110.8 41.4 64 64 A A H 3< S+ 0 0 80 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.562 89.9 111.0 -75.3 -8.1 73.3 107.8 40.5 65 65 A L S << S- 0 0 7 -3,-1.4 5,-0.1 -4,-0.5 -3,-0.0 -0.390 83.8 -99.7 -69.1 140.8 70.8 108.9 43.1 66 66 A P >> - 0 0 58 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.353 39.8-110.7 -58.5 141.7 67.4 110.2 41.8 67 67 A E H 3> S+ 0 0 137 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.811 117.9 51.5 -45.1 -40.6 67.5 114.0 41.9 68 68 A H H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.821 109.6 50.1 -70.6 -28.4 65.0 114.3 44.7 69 69 A E H <> S+ 0 0 27 -3,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.827 107.5 53.7 -76.6 -31.8 67.1 111.8 46.8 70 70 A K H X S+ 0 0 38 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.905 109.6 49.7 -66.1 -39.1 70.2 113.9 46.1 71 71 A H H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.917 112.0 46.5 -63.1 -47.6 68.3 116.9 47.4 72 72 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.962 116.6 44.7 -59.7 -53.0 67.2 115.1 50.6 73 73 A F H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.938 117.4 42.3 -57.8 -52.7 70.7 113.7 51.2 74 74 A I H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.856 111.8 53.5 -67.1 -37.2 72.6 117.0 50.5 75 75 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.917 111.4 47.4 -63.7 -41.6 70.1 119.2 52.4 76 76 A N H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.916 112.0 50.2 -64.1 -43.7 70.5 117.0 55.4 77 77 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.910 107.2 53.3 -62.3 -44.4 74.3 117.0 55.1 78 78 A K H X S+ 0 0 19 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 109.4 49.4 -59.6 -39.4 74.4 120.8 54.8 79 79 A Y H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.940 110.5 49.0 -65.3 -48.0 72.4 121.2 58.1 80 80 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.917 110.6 52.3 -57.1 -42.3 74.7 118.7 59.9 81 81 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 286,-0.3 0.899 109.1 50.2 -61.7 -39.3 77.7 120.7 58.6 82 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.957 111.0 47.6 -62.4 -52.6 76.1 123.9 59.9 83 83 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.882 112.2 49.5 -57.8 -41.0 75.5 122.5 63.4 84 84 A E H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.869 107.3 55.1 -67.7 -36.5 79.1 121.1 63.6 85 85 A S H X S+ 0 0 2 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.921 113.7 41.6 -61.0 -44.6 80.5 124.5 62.6 86 86 A I H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 3,-0.4 0.910 115.9 48.9 -69.1 -43.3 78.6 126.1 65.4 87 87 A Q H < S+ 0 0 0 -4,-2.7 28,-0.2 1,-0.2 -1,-0.2 0.661 101.7 63.9 -73.2 -16.8 79.4 123.3 67.9 88 88 A G H < S+ 0 0 3 -4,-1.6 -1,-0.2 27,-0.2 28,-0.2 0.870 121.2 17.9 -74.4 -34.3 83.1 123.3 67.1 89 89 A R H X S+ 0 0 1 -4,-0.9 4,-2.5 -3,-0.4 3,-0.3 0.794 112.3 69.1-106.0 -34.1 83.6 126.9 68.4 90 90 A S H X>S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.6 0.861 92.9 54.5 -60.0 -46.5 80.6 127.8 70.6 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.9 0.915 115.3 44.3 -54.9 -40.2 81.2 125.5 73.6 92 92 A N H >5S+ 0 0 2 -3,-0.3 4,-0.8 3,-0.2 -2,-0.2 0.959 117.9 40.2 -68.8 -53.5 84.6 127.0 73.9 93 93 A V H <5S+ 0 0 12 -4,-2.5 -3,-0.2 1,-0.2 -1,-0.2 0.879 126.3 34.8 -65.9 -37.9 83.8 130.7 73.3 94 94 A A H <5S+ 0 0 1 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.846 128.1 28.5 -88.3 -34.1 80.6 130.6 75.4 95 95 A L H >X<> S- 0 0 0 -84,-0.6 4,-2.1 1,-0.1 3,-0.6 -1.000 73.3-134.4-131.2 133.5 86.2 123.1 87.9 102 102 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.816 100.8 56.3 -54.5 -39.3 89.0 121.5 85.8 103 103 A E H 3> S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.874 112.2 43.3 -65.2 -34.5 87.2 118.3 84.8 104 104 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.883 111.1 55.2 -76.4 -39.6 84.4 120.4 83.2 105 105 A E H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.955 113.9 40.0 -57.0 -52.3 86.8 122.9 81.6 106 106 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.837 111.6 57.6 -67.4 -34.1 88.7 120.1 79.8 107 107 A W H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.925 106.5 49.5 -62.5 -42.8 85.5 118.2 79.0 108 108 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.906 112.5 46.9 -63.4 -39.8 84.1 121.2 77.2 109 109 A E H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.868 114.8 46.5 -69.7 -34.5 87.3 121.6 75.2 110 110 A T H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 113.8 48.7 -72.1 -42.8 87.4 117.9 74.4 111 111 A W H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.968 113.8 46.2 -60.0 -52.7 83.7 117.9 73.4 112 112 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-0.4 0.916 110.5 53.9 -58.0 -44.6 84.3 121.0 71.2 113 113 A F H X S+ 0 0 12 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.906 104.5 53.6 -57.9 -43.8 87.3 119.5 69.6 114 114 A S H X S+ 0 0 6 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.835 103.0 59.1 -62.3 -29.4 85.5 116.3 68.6 115 115 A E H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.876 102.0 52.7 -67.8 -34.4 82.9 118.5 66.9 116 116 A T H X S+ 0 0 2 -4,-1.4 4,-2.3 -3,-0.5 -1,-0.2 0.810 105.2 55.3 -70.5 -25.5 85.6 120.0 64.7 117 117 A I H X S+ 0 0 6 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.876 106.7 50.8 -71.2 -35.1 86.6 116.4 63.8 118 118 A H H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.897 108.9 51.3 -66.8 -37.9 82.9 116.0 62.7 119 119 A S H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.931 109.3 49.1 -63.3 -45.3 83.2 119.1 60.6 120 120 A R H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.867 107.1 58.1 -62.4 -33.5 86.4 117.8 59.0 121 121 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.911 105.8 48.1 -62.1 -43.2 84.4 114.5 58.4 122 122 A Y H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.803 108.6 53.1 -69.8 -28.8 81.7 116.4 56.4 123 123 A T H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.923 109.3 50.8 -69.5 -41.0 84.3 118.2 54.3 124 124 A H H X S+ 0 0 14 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.920 115.2 42.0 -60.0 -45.7 85.8 114.8 53.5 125 125 A I H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 3,-0.5 0.959 117.8 45.2 -66.9 -52.5 82.3 113.5 52.5 126 126 A I H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-1.3 0.963 110.5 52.9 -55.9 -56.5 81.3 116.7 50.6 127 127 A R H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 113.6 46.2 -52.0 -27.6 84.6 117.0 48.7 128 128 A N H 3< S+ 0 0 45 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.621 117.9 36.4 -94.7 -14.7 84.2 113.4 47.6 129 129 A I H << S+ 0 0 4 -3,-1.3 2,-0.2 -4,-1.2 -2,-0.2 0.669 110.4 59.1-110.1 -21.8 80.6 113.3 46.4 130 130 A V S < S- 0 0 27 -4,-2.4 -71,-0.0 -5,-0.2 -67,-0.0 -0.701 70.3-137.1-107.1 160.9 80.1 116.7 44.9 131 131 A N S S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.891 96.9 24.2 -81.7 -44.0 82.0 118.4 42.0 132 132 A D >> - 0 0 80 1,-0.1 3,-1.7 -6,-0.0 4,-0.8 -0.859 63.2-169.5-128.3 97.3 82.3 121.9 43.6 133 133 A P H 3> S+ 0 0 17 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.789 82.0 72.5 -52.8 -32.0 82.2 121.9 47.4 134 134 A S H 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.805 92.0 55.1 -56.2 -33.7 82.0 125.7 47.3 135 135 A V H <> S+ 0 0 95 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.921 112.9 42.4 -67.0 -42.3 78.4 125.6 46.1 136 136 A V H X S+ 0 0 9 -4,-0.8 4,-1.4 -3,-0.3 -2,-0.2 0.984 117.2 45.6 -66.1 -58.1 77.4 123.4 49.0 137 137 A F H X S+ 0 0 2 -4,-2.9 4,-1.0 1,-0.2 3,-0.4 0.888 113.6 49.1 -54.3 -44.9 79.4 125.4 51.6 138 138 A D H >X S+ 0 0 57 -4,-2.6 4,-1.8 -5,-0.2 3,-0.7 0.918 106.9 55.9 -62.7 -42.2 78.2 128.7 50.4 139 139 A D H 3< S+ 0 0 40 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.787 96.4 66.7 -60.8 -27.7 74.5 127.6 50.4 140 140 A I H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.928 103.5 44.2 -59.4 -44.8 74.9 126.7 54.0 141 141 A V H << S+ 0 0 8 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.938 124.4 35.2 -65.7 -48.1 75.3 130.3 54.9 142 142 A T S < S+ 0 0 63 -4,-1.8 5,-0.2 207,-0.1 4,-0.1 0.124 76.3 99.1 -83.9-152.7 72.4 131.4 52.7 143 143 A N > - 0 0 18 3,-0.1 4,-1.9 2,-0.1 3,-0.4 0.925 58.6-145.8 69.4 92.8 69.4 129.2 52.2 144 144 A E H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.819 94.8 61.5 -59.2 -33.8 66.6 130.6 54.4 145 145 A Q H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 105.7 44.5 -62.2 -43.0 65.3 127.1 55.1 146 146 A I H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.935 118.0 43.8 -66.9 -45.5 68.5 125.8 56.7 147 147 A Q H X S+ 0 0 47 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.807 109.6 59.5 -68.7 -28.8 68.8 129.0 58.8 148 148 A K H >< S+ 0 0 111 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.947 107.2 44.2 -63.8 -49.8 65.1 128.8 59.5 149 149 A R H 3< S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 119.1 43.8 -63.2 -34.8 65.5 125.4 61.2 150 150 A A H >< S+ 0 0 5 -4,-1.7 3,-2.0 -5,-0.2 4,-0.4 0.510 82.9 133.5 -88.3 -6.3 68.6 126.5 63.0 151 151 A E T << + 0 0 129 -4,-1.0 -3,-0.1 -3,-0.6 131,-0.1 -0.165 66.7 28.8 -49.3 128.2 67.2 129.9 64.1 152 152 A G T 3> S+ 0 0 36 127,-0.0 4,-1.1 0, 0.0 -1,-0.2 0.174 96.5 89.7 106.8 -18.0 67.8 130.6 67.7 153 153 A I H <> S+ 0 0 17 -3,-2.0 4,-1.8 2,-0.2 3,-0.2 0.986 94.2 32.5 -75.5 -63.5 71.1 128.6 68.2 154 154 A S H > S+ 0 0 30 -4,-0.4 4,-2.8 1,-0.2 191,-0.4 0.871 116.9 59.3 -62.5 -36.0 73.7 131.2 67.3 155 155 A S H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 105.8 47.2 -61.0 -41.7 71.6 134.0 68.7 156 156 A Y H X S+ 0 0 48 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.917 113.0 47.4 -67.0 -44.5 71.4 132.4 72.2 157 157 A Y H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.936 112.2 51.7 -59.8 -46.3 75.2 131.7 72.3 158 158 A D H X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.898 109.3 48.8 -58.7 -43.4 75.8 135.3 71.2 159 159 A E H X S+ 0 0 93 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.0 49.2 -65.1 -39.6 73.6 136.8 73.8 160 160 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 111.2 49.3 -65.8 -42.1 75.3 134.7 76.6 161 161 A I H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 112.0 48.5 -64.1 -42.8 78.8 135.7 75.4 162 162 A E H X S+ 0 0 81 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 112.8 46.7 -64.7 -43.9 77.8 139.4 75.3 163 163 A M H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.856 111.0 54.1 -66.2 -34.5 76.3 139.2 78.8 164 164 A T H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.901 106.1 51.5 -66.2 -41.0 79.3 137.4 80.0 165 165 A S H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.938 109.2 50.4 -61.5 -46.0 81.6 140.1 78.7 166 166 A Y H X>S+ 0 0 44 -4,-2.1 4,-3.3 1,-0.2 5,-0.7 0.912 111.4 49.3 -57.3 -42.7 79.6 142.7 80.5 167 167 A W H X5S+ 0 0 44 -4,-2.1 4,-1.7 3,-0.2 -2,-0.2 0.933 113.5 44.6 -63.1 -48.5 79.9 140.7 83.7 168 168 A H H <5S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 121.1 40.4 -64.5 -37.9 83.6 140.2 83.4 169 169 A L H <5S+ 0 0 29 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.907 133.1 16.4 -78.6 -43.1 84.2 143.8 82.5 170 170 A L H <5S- 0 0 32 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.687 89.6-145.5-106.7 -23.0 81.8 145.6 84.9 171 171 A G << - 0 0 26 -4,-1.7 13,-0.1 -5,-0.7 -1,-0.1 -0.091 48.9 -30.3 77.6 174.9 80.8 143.2 87.6 172 172 A E S S+ 0 0 126 11,-0.1 2,-0.3 -5,-0.0 13,-0.2 -0.302 97.2 62.3 -65.6 147.7 77.3 143.0 89.2 173 173 A G E S-B 184 0B 33 11,-2.4 11,-3.2 2,-0.0 2,-0.5 -0.834 87.1 -58.5 134.8-174.4 75.3 146.2 89.5 174 174 A T E -B 183 0B 98 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.957 58.0-176.6-111.4 124.2 73.6 148.9 87.5 175 175 A H E -B 182 0B 19 7,-3.5 7,-2.8 -2,-0.5 2,-0.5 -0.698 28.9-128.6-120.1 169.5 76.0 150.8 85.3 176 176 A T E +B 181 0B 67 5,-0.2 343,-2.8 -2,-0.2 2,-0.5 -0.959 27.3 177.8-121.9 108.6 76.1 153.8 82.8 177 177 A V E > S-BC 180 518B 9 3,-2.7 3,-2.1 -2,-0.5 341,-0.2 -0.959 75.2 -23.8-116.3 113.8 77.6 152.9 79.5 178 178 A N T 3 S- 0 0 69 339,-2.7 -1,-0.2 -2,-0.5 340,-0.1 0.872 127.5 -51.3 50.1 41.9 77.7 155.7 76.9 179 179 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 338,-0.2 -1,-0.3 0.457 116.7 114.0 79.8 0.5 74.8 157.3 78.7 180 180 A K E < -B 177 0B 146 -3,-2.1 -3,-2.7 2,-0.0 2,-0.6 -0.816 69.9-120.5-105.6 144.2 72.7 154.1 78.7 181 181 A T E -B 176 0B 107 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.744 31.5-172.4 -85.7 121.0 71.8 152.3 81.9 182 182 A V E -B 175 0B 29 -7,-2.8 -7,-3.5 -2,-0.6 2,-0.5 -0.963 9.0-154.3-118.3 122.9 73.1 148.7 81.8 183 183 A T E -B 174 0B 97 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.836 5.3-167.2 -99.3 127.7 72.1 146.2 84.4 184 184 A V E +B 173 0B 12 -11,-3.2 -11,-2.4 -2,-0.5 2,-0.5 -0.920 11.8 176.5-116.0 104.1 74.5 143.3 85.1 185 185 A S > - 0 0 42 -2,-0.6 4,-2.0 -13,-0.2 5,-0.2 -0.932 25.4-156.4-110.4 124.6 72.8 140.7 87.3 186 186 A L H > S+ 0 0 26 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.905 98.2 56.6 -63.4 -39.0 74.7 137.5 88.1 187 187 A R H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 108.3 46.0 -56.9 -46.8 71.3 135.8 88.7 188 188 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 110.7 53.1 -66.0 -36.7 70.2 136.7 85.1 189 189 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.867 107.4 51.8 -67.6 -34.5 73.5 135.6 83.7 190 190 A K H X S+ 0 0 13 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.901 108.3 51.5 -67.2 -39.5 73.1 132.2 85.4 191 191 A K H X S+ 0 0 57 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.926 109.9 49.8 -61.8 -43.5 69.6 131.9 83.9 192 192 A K H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.936 112.8 45.8 -60.8 -47.7 71.1 132.7 80.4 193 193 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 112.6 51.6 -61.7 -44.6 73.8 130.0 80.9 194 194 A Y H X S+ 0 0 8 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.928 113.1 43.3 -58.8 -47.3 71.2 127.5 82.2 195 195 A L H X S+ 0 0 26 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.785 110.1 57.0 -70.5 -26.9 68.9 128.0 79.2 196 196 A C H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.913 107.9 48.4 -67.8 -41.5 71.9 128.0 76.8 197 197 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.882 109.9 51.2 -65.2 -40.4 72.8 124.5 78.2 198 198 A M H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.911 111.8 48.0 -61.9 -41.9 69.2 123.3 77.8 199 199 A S H X S+ 0 0 27 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.898 110.9 49.9 -65.9 -40.5 69.2 124.5 74.2 200 200 A V H X S+ 0 0 3 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.896 109.2 53.6 -63.6 -39.8 72.6 122.8 73.6 201 201 A N H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.924 109.1 47.4 -60.1 -45.3 71.1 119.7 75.0 202 202 A A H X>S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 5,-1.4 0.901 113.8 49.3 -62.9 -39.6 68.2 119.9 72.6 203 203 A L H <>S+ 0 0 2 -4,-2.4 5,-1.7 3,-0.2 6,-0.2 0.969 116.9 39.0 -62.7 -55.6 70.6 120.5 69.8 204 204 A E H <5S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.2 38,-0.2 0.875 124.9 37.7 -63.0 -42.6 72.9 117.5 70.7 205 205 A A H <5S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.655 132.0 15.9 -89.6 -17.1 70.1 115.1 71.6 206 206 A I T X5S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.728 120.3 47.9-119.5 -62.5 67.4 116.0 69.1 207 207 A R H > S+ 0 0 14 -6,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.868 105.7 54.5 -70.1 -36.0 69.5 112.5 65.8 210 210 A V H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.883 111.2 47.7 -63.7 -35.5 66.8 113.6 63.4 211 211 A S H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.3 -2,-0.2 0.877 106.1 56.8 -72.5 -36.8 69.6 114.2 60.8 212 212 A F H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.893 102.8 56.3 -60.4 -38.8 71.1 110.8 61.5 213 213 A A H X S+ 0 0 6 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.924 107.2 47.8 -58.5 -46.4 67.8 109.2 60.7 214 214 A C H X S+ 0 0 4 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.895 114.2 47.9 -62.1 -40.1 67.8 110.8 57.3 215 215 A S H >X S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 4,-1.1 0.950 112.0 47.5 -66.1 -49.8 71.4 109.7 56.7 216 216 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.3 -1,-0.2 0.706 95.1 74.5 -67.1 -18.9 70.9 106.1 57.7 217 217 A A H 3< S+ 0 0 2 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.3 0.852 101.5 44.3 -62.3 -31.1 67.7 105.9 55.6 218 218 A F H X<>S+ 0 0 0 -3,-1.2 5,-2.1 -4,-0.6 3,-1.2 0.875 107.9 57.0 -78.1 -38.1 70.2 105.7 52.7 219 219 A A H ><5S+ 0 0 6 -4,-1.1 3,-1.9 1,-0.3 -2,-0.2 0.850 99.5 60.5 -60.1 -34.3 72.4 103.3 54.5 220 220 A E T 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.777 102.2 52.9 -62.7 -26.6 69.4 101.0 54.8 221 221 A R T < 5S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.4 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0.854 106.7 54.5 -62.2 -34.2 77.8 109.1 60.8 232 232 A R H X S+ 0 0 102 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.917 110.8 45.9 -64.8 -41.0 78.0 106.0 63.0 233 233 A L H X S+ 0 0 42 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.905 113.5 48.9 -66.6 -42.4 81.2 107.4 64.4 234 234 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.5 0.934 109.2 52.3 -63.1 -45.8 79.8 110.8 64.8 235 235 A A H X S+ 0 0 6 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.851 102.5 59.2 -59.8 -36.1 76.7 109.5 66.6 236 236 A R H X S+ 0 0 92 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.897 110.0 44.1 -59.1 -39.9 78.9 107.6 69.0 237 237 A D H >X S+ 0 0 3 -4,-1.3 4,-2.3 -3,-0.5 3,-0.8 0.920 108.4 54.9 -71.1 -46.9 80.3 111.0 70.0 238 238 A E H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.823 101.6 60.9 -57.6 -30.7 77.0 112.9 70.2 239 239 A A H 3X S+ 0 0 20 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.885 107.8 43.9 -63.5 -38.0 75.8 110.2 72.6 240 240 A L H S+ 0 0 33 -4,-2.6 5,-0.8 2,-0.2 6,-0.6 0.890 111.4 46.5 -70.3 -38.5 73.3 118.1 88.7 252 252 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 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78.0 80.6 -62.6 -20.1 97.7 126.0 53.9 376 35 B I H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.902 91.1 52.3 -54.3 -39.9 100.3 125.9 56.6 377 36 B F H <> S+ 0 0 0 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.869 108.6 48.2 -66.7 -35.4 97.4 125.8 59.2 378 37 B E H X S+ 0 0 10 -4,-0.6 4,-2.4 -3,-0.4 -1,-0.2 0.894 112.0 50.7 -69.3 -39.7 95.7 122.9 57.5 379 38 B K H X S+ 0 0 114 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.878 109.8 50.3 -64.7 -38.3 99.0 121.0 57.4 380 39 B L H X S+ 0 0 8 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.899 109.2 50.8 -68.2 -39.4 99.6 121.7 61.1 381 40 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.950 112.0 48.3 -61.6 -47.2 96.1 120.4 62.0 382 41 B E H X S+ 0 0 86 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.930 113.6 46.1 -57.4 -49.1 96.8 117.2 60.0 383 42 B K H X S+ 0 0 105 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.923 112.1 50.3 -60.9 -46.6 100.2 116.7 61.6 384 43 B Q H < S+ 0 0 9 -4,-2.8 3,-0.5 1,-0.2 4,-0.2 0.874 109.3 51.5 -62.0 -38.3 98.9 117.3 65.1 385 44 B L H >< S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.891 107.7 52.3 -66.2 -37.5 96.0 114.9 64.7 386 45 B S H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.696 106.3 56.3 -71.4 -17.0 98.4 112.2 63.5 387 46 B F T 3< S+ 0 0 33 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.392 74.4 135.1 -95.2 1.2 100.5 112.8 66.7 388 47 B F < + 0 0 52 -3,-1.2 2,-0.3 -4,-0.2 -3,-0.1 -0.193 28.8 169.8 -50.8 139.4 97.7 112.2 69.1 389 48 B F - 0 0 22 185,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.969 33.9-125.1-149.7 161.5 98.8 109.9 72.0 390 49 B R > - 0 0 53 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.941 11.0-156.8-118.3 112.1 97.5 108.7 75.4 391 50 B P G > S+ 0 0 3 0, 0.0 3,-3.4 0, 0.0 -1,-0.2 0.893 89.6 66.6 -46.5 -53.6 99.9 109.4 78.4 392 51 B E G 3 S+ 0 0 78 1,-0.3 4,-0.1 3,-0.0 70,-0.0 0.715 91.5 64.7 -44.7 -28.0 98.4 106.6 80.5 393 52 B E G < S+ 0 0 152 -3,-1.7 2,-0.4 2,-0.1 -1,-0.3 0.598 83.0 92.5 -76.6 -10.3 99.8 104.1 78.0 394 53 B V S < S- 0 0 26 -3,-3.4 2,-0.5 -4,-0.2 173,-0.1 -0.726 81.3-124.3 -88.6 129.9 103.3 105.0 78.9 395 54 B D + 0 0 111 -2,-0.4 175,-0.1 1,-0.1 -2,-0.1 -0.611 42.9 156.7 -74.8 119.4 105.0 102.9 81.6 396 55 B V >> + 0 0 2 -2,-0.5 3,-1.1 -4,-0.1 4,-0.6 0.109 35.6 114.1-128.5 17.9 106.2 105.2 84.4 397 56 B S T 34 S+ 0 0 78 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.783 77.4 50.1 -61.8 -30.4 106.2 102.6 87.2 398 57 B R T 3> S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.554 92.8 76.3 -87.6 -7.5 110.0 102.8 87.6 399 58 B D H <> S+ 0 0 3 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.836 87.0 61.0 -70.6 -31.7 110.1 106.6 87.8 400 59 B R H X S+ 0 0 80 -4,-0.6 4,-1.8 69,-0.4 -1,-0.2 0.928 107.1 43.8 -60.2 -46.8 108.9 106.5 91.3 401 60 B I H > S+ 0 0 98 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.924 112.2 52.7 -65.8 -44.1 111.9 104.5 92.5 402 61 B D H X S+ 0 0 19 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.886 109.2 51.0 -58.1 -40.2 114.3 106.7 90.5 403 62 B Y H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.1 49.3 -65.6 -42.0 112.9 109.8 92.1 404 63 B Q H < S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 110.6 49.6 -65.0 -42.0 113.2 108.5 95.6 405 64 B A H < S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.721 89.6 108.7 -70.1 -21.8 116.8 107.5 95.2 406 65 B L S < S- 0 0 7 -4,-1.1 5,-0.1 -5,-0.2 -3,-0.0 -0.210 83.1-101.4 -58.3 143.7 117.6 110.9 93.7 407 66 B P >> - 0 0 58 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.342 37.8-108.9 -62.2 149.6 119.7 113.3 95.8 408 67 B E H 3> S+ 0 0 133 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.861 119.5 51.3 -50.1 -42.9 117.5 115.9 97.5 409 68 B H H 3> S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.842 110.3 50.6 -66.1 -30.7 118.8 118.7 95.3 410 69 B E H <> S+ 0 0 13 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.841 106.0 53.7 -74.5 -34.3 118.1 116.6 92.3 411 70 B K H X S+ 0 0 23 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.931 109.0 52.1 -62.0 -43.2 114.5 115.9 93.4 412 71 B H H X S+ 0 0 29 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.918 110.0 47.1 -57.2 -48.1 114.2 119.7 93.7 413 72 B I H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.945 115.8 44.2 -60.9 -50.6 115.4 120.2 90.2 414 73 B F H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.940 118.2 41.6 -62.3 -49.1 113.2 117.6 88.7 415 74 B I H X S+ 0 0 13 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.838 112.6 52.9 -71.5 -32.4 110.0 118.5 90.6 416 75 B S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.904 112.4 46.5 -67.6 -39.1 110.4 122.2 90.2 417 76 B N H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.926 111.2 51.3 -66.5 -46.3 110.8 121.8 86.5 418 77 B L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 109.1 51.5 -57.8 -44.1 107.8 119.5 86.3 419 78 B K H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 109.7 48.9 -62.2 -41.3 105.7 122.0 88.2 420 79 B Y H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.905 110.8 50.2 -66.1 -40.1 106.6 124.8 85.8 421 80 B Q H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.899 110.3 51.0 -63.7 -40.1 105.8 122.6 82.8 422 81 B T H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -396,-0.3 0.885 108.8 51.4 -64.4 -39.5 102.4 121.8 84.4 423 82 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.956 110.0 48.8 -60.7 -51.6 101.7 125.5 84.9 424 83 B L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.878 111.4 49.0 -57.8 -41.6 102.5 126.4 81.3 425 84 B E H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.852 106.7 56.8 -68.8 -34.2 100.3 123.6 80.0 426 85 B S H X S+ 0 0 2 -4,-1.9 4,-0.8 2,-0.2 5,-0.2 0.937 113.1 40.7 -60.9 -46.4 97.4 124.7 82.2 427 86 B I H >X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.6 0.925 115.4 50.4 -67.1 -44.9 97.6 128.1 80.7 428 87 B Q H 3< S+ 0 0 0 -4,-2.6 28,-0.2 1,-0.2 -1,-0.2 0.672 101.2 63.3 -70.8 -17.1 98.1 126.9 77.2 429 88 B G H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 27,-0.2 28,-0.2 0.847 121.3 17.7 -76.1 -31.0 95.2 124.5 77.3 430 89 B R H >S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.7 0.927 114.9 44.0 -58.4 -38.7 94.6 130.1 72.9 433 92 B N H >5S+ 0 0 2 -3,-0.5 4,-1.2 3,-0.2 -2,-0.2 0.962 117.8 41.1 -67.8 -53.7 90.9 129.3 72.8 434 93 B V H <5S+ 0 0 11 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.2 0.871 124.9 36.9 -65.2 -36.6 89.6 132.1 75.0 435 94 B A H <5S+ 0 0 1 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.841 127.1 28.8 -86.3 -37.2 92.0 134.7 73.7 436 95 B L H >X5S+ 0 0 2 -4,-2.1 3,-2.3 -5,-0.5 4,-1.2 0.834 102.7 70.5 -96.8 -36.4 92.2 133.9 69.9 437 96 B L G >< S- 0 0 0 -84,-0.6 4,-1.8 1,-0.1 3,-0.5 -0.999 73.5-134.6-128.9 135.3 89.6 132.3 58.6 443 102 B P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.835 99.8 56.4 -55.1 -42.2 88.5 128.7 59.3 444 103 B E H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 110.7 45.0 -63.3 -35.8 91.9 126.9 59.1 445 104 B L H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.884 110.6 54.8 -74.3 -37.4 93.3 129.1 61.8 446 105 B E H X S+ 0 0 5 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.940 113.8 40.0 -59.5 -49.8 90.3 128.8 64.0 447 106 B T H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.864 111.9 56.8 -70.8 -35.2 90.5 125.0 63.9 448 107 B W H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.947 106.8 50.4 -60.7 -44.3 94.3 125.0 64.2 449 108 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.918 112.0 46.4 -59.9 -42.1 94.0 127.0 67.4 450 109 B E H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.862 114.6 47.4 -68.2 -34.4 91.4 124.6 68.9 451 110 B T H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 112.8 49.1 -71.3 -42.1 93.6 121.6 67.9 452 111 B W H X S+ 0 0 3 -4,-3.2 4,-1.6 -5,-0.2 -2,-0.2 0.955 113.6 46.2 -60.1 -51.3 96.7 123.3 69.3 453 112 B A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.901 110.8 53.8 -59.3 -43.8 94.8 124.0 72.6 454 113 B F H X S+ 0 0 13 -4,-2.2 4,-1.5 1,-0.2 3,-0.3 0.919 105.6 51.8 -58.0 -46.3 93.4 120.5 72.7 455 114 B S H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.846 105.9 56.4 -62.1 -30.7 96.9 118.9 72.4 456 115 B E H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.876 102.7 54.1 -68.5 -34.8 98.0 121.1 75.3 457 116 B T H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.839 106.0 53.2 -66.8 -29.4 95.2 119.6 77.4 458 117 B I H X S+ 0 0 5 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.901 106.7 52.0 -69.6 -38.9 96.6 116.2 76.6 459 118 B H H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.906 108.1 51.5 -61.9 -40.1 100.0 117.4 77.8 460 119 B S H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.922 109.5 49.2 -62.5 -43.5 98.3 118.5 81.0 461 120 B R H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 107.8 56.3 -63.2 -35.3 96.8 115.1 81.4 462 121 B S H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 105.7 49.7 -61.0 -47.1 100.3 113.6 80.7 463 122 B Y H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.851 107.6 53.7 -63.3 -34.2 101.8 115.6 83.6 464 123 B T H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.946 107.9 51.8 -63.3 -45.1 99.0 114.4 86.0 465 124 B H H X S+ 0 0 28 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.913 113.5 43.9 -55.9 -46.1 99.9 110.8 84.9 466 125 B I H >X S+ 0 0 0 -4,-2.2 3,-1.0 2,-0.2 4,-0.5 0.971 113.7 49.1 -64.8 -54.9 103.6 111.5 85.8 467 126 B I H >X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 3,-1.4 0.906 109.3 52.3 -52.6 -47.7 102.9 113.3 89.0 468 127 B R H 3< S+ 0 0 129 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.767 110.6 49.6 -62.3 -25.2 100.6 110.6 90.3 469 128 B N H << S+ 0 0 56 -4,-1.0 -69,-0.4 -3,-1.0 -1,-0.3 0.415 114.8 39.7 -96.3 3.3 103.2 107.9 89.6 470 129 B I H << S+ 0 0 0 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.555 110.6 45.1-125.2 -14.2 106.2 109.5 91.3 471 130 B V S < S- 0 0 21 -4,-1.5 2,-0.7 -5,-0.2 -1,-0.1 -0.900 75.0-116.5-131.1 161.0 104.9 111.1 94.5 472 131 B N S S+ 0 0 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102.8 132.9 85.2 492 151 B E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.956 114.9 44.7 -56.5 -54.6 101.8 136.4 86.1 493 152 B G H X S+ 0 0 22 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.908 118.4 43.9 -57.2 -45.3 103.7 137.9 83.1 494 153 B I H X S+ 0 0 11 -4,-3.2 4,-1.4 1,-0.2 3,-0.5 0.967 115.7 45.0 -65.3 -55.4 102.3 135.3 80.7 495 154 B S H X S+ 0 0 9 -4,-3.6 4,-3.1 -5,-0.2 -491,-0.3 0.814 106.9 64.1 -60.5 -28.3 98.7 135.4 82.0 496 155 B S H X S+ 0 0 30 -4,-2.3 4,-2.5 -5,-0.4 5,-0.2 0.921 100.3 48.5 -62.1 -45.9 98.9 139.2 82.0 497 156 B Y H X S+ 0 0 53 -4,-1.4 4,-1.7 -3,-0.5 40,-0.2 0.912 116.4 44.0 -60.5 -43.8 99.3 139.4 78.2 498 157 B Y H X S+ 0 0 2 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.943 113.5 50.1 -65.2 -51.3 96.4 137.1 77.6 499 158 B D H X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.869 111.5 47.8 -57.3 -42.4 94.2 138.7 80.2 500 159 B E H X S+ 0 0 82 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.890 112.5 49.2 -67.5 -40.1 94.7 142.2 78.8 501 160 B L H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.923 112.0 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0.642 88.6-146.5-113.0 -19.5 81.4 149.0 72.3 512 171 B G << - 0 0 24 -4,-1.6 13,-0.1 -5,-0.8 -1,-0.1 -0.124 50.4 -28.6 75.0 179.3 83.4 149.1 69.0 513 172 B E S S+ 0 0 115 11,-0.1 2,-0.3 -5,-0.0 13,-0.2 -0.330 94.9 67.7 -69.7 150.8 86.0 151.8 68.3 514 173 B G E S- D 0 525B 32 11,-2.4 11,-2.8 2,-0.0 2,-0.6 -0.823 86.0 -57.9 136.9-177.0 85.7 155.2 69.8 515 174 B T E + D 0 524B 109 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.936 60.8 176.0-106.3 115.9 85.9 157.2 73.0 516 175 B H E - D 0 523B 15 7,-3.3 7,-3.7 -2,-0.6 2,-0.4 -0.653 25.2-132.7-116.5 171.8 83.3 155.9 75.4 517 176 B T E - D 0 522B 62 5,-0.3 -339,-2.7 -2,-0.2 2,-0.4 -0.989 16.8-177.8-128.1 137.3 82.2 156.5 79.0 518 177 B V E > S-CD 177 521B 13 3,-3.1 3,-1.6 -2,-0.4 -341,-0.2 -0.945 74.4 -26.4-137.3 112.2 81.7 153.9 81.6 519 178 B N T 3 S- 0 0 75 -343,-2.8 -342,-0.1 -2,-0.4 3,-0.1 0.908 129.6 -41.9 48.7 51.6 80.5 154.9 85.1 520 179 B G T 3 S+ 0 0 81 -344,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.403 118.9 107.0 82.4 -4.5 82.0 158.4 84.8 521 180 B K E < 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70.0 531 190 B K H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.894 110.0 50.6 -63.7 -39.1 96.0 144.7 67.0 532 191 B K H X S+ 0 0 56 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.920 108.5 51.9 -63.8 -43.9 99.2 145.7 68.9 533 192 B K H X S+ 0 0 49 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.870 110.8 48.1 -58.7 -41.0 98.0 143.8 72.0 534 193 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.937 107.6 54.0 -66.0 -46.4 97.4 140.7 69.9 535 194 B Y H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.878 109.8 52.1 -55.9 -34.3 100.8 141.1 68.3 536 195 B L H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.927 107.9 45.6 -69.7 -48.4 102.1 141.1 71.8 537 196 B C H X S+ 0 0 1 -4,-2.1 4,-3.4 -40,-0.2 5,-0.3 0.930 115.0 52.6 -57.5 -45.8 100.3 137.8 73.2 538 197 B L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.895 110.2 43.7 -57.5 -47.6 101.4 136.2 70.0 539 198 B M H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.938 117.5 48.0 -63.6 -44.4 105.1 137.2 70.4 540 199 B S H X S+ 0 0 13 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.873 112.0 48.1 -63.5 -38.5 104.8 136.2 74.0 541 200 B V H X S+ 0 0 4 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.856 108.7 55.4 -71.0 -33.4 103.2 132.9 73.2 542 201 B N H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.921 109.5 45.7 -64.4 -41.6 105.9 132.2 70.6 543 202 B A H X>S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 5,-2.2 0.859 112.7 52.5 -69.0 -33.0 108.6 132.7 73.3 544 203 B L H <>S+ 0 0 1 -4,-1.8 5,-2.1 3,-0.2 6,-0.2 0.966 118.2 35.0 -64.7 -51.9 106.6 130.5 75.6 545 204 B E H <5S+ 0 0 0 -4,-3.0 5,-0.3 3,-0.2 -2,-0.2 0.907 127.2 38.5 -68.3 -44.3 106.3 127.7 73.0 546 205 B A H <5S+ 0 0 0 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.767 134.1 10.7 -82.6 -29.5 109.7 128.2 71.5 547 206 B I T X5S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.779 121.6 51.2-115.8 -56.0 111.9 129.0 74.5 548 207 B R H > S+ 0 0 13 -5,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.837 104.2 54.6 -62.6 -35.4 112.5 123.9 75.5 551 210 B V H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 108.8 49.8 -65.1 -39.5 114.5 125.1 78.4 552 211 B S H X S+ 0 0 2 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.838 104.7 59.6 -67.3 -30.7 112.4 122.8 80.6 553 212 B F H X S+ 0 0 0 -4,-1.6 4,-3.6 2,-0.2 5,-0.2 0.885 104.2 48.6 -64.3 -38.9 113.0 119.9 78.2 554 213 B A H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.941 109.3 53.0 -64.2 -46.2 116.8 120.1 78.7 555 214 B C H X S+ 0 0 2 -4,-1.8 4,-0.5 1,-0.2 3,-0.2 0.943 117.0 41.0 -52.1 -47.4 116.2 120.2 82.4 556 215 B S H >X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 3,-0.8 0.886 111.9 49.7 -72.6 -42.9 114.1 117.0 81.8 557 216 B F H 3X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.672 94.1 75.6 -74.2 -13.0 116.2 115.0 79.3 558 217 B A H 3X S+ 0 0 2 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.884 98.6 46.8 -63.1 -36.5 119.4 115.5 81.4 559 218 B F H X<>S+ 0 0 0 -3,-0.8 5,-2.2 -4,-0.5 3,-1.3 0.936 108.2 54.7 -68.1 -47.4 117.9 112.8 83.7 560 219 B A H ><5S+ 0 0 6 -4,-1.1 3,-2.4 1,-0.3 -2,-0.2 0.865 100.7 59.6 -54.3 -38.8 117.0 110.6 80.7 561 220 B E H 3<5S+ 0 0 87 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.815 106.6 47.9 -60.7 -28.6 120.6 110.8 79.5 562 221 B R T <<5S- 0 0 55 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.201 122.8-111.9 -95.0 14.7 121.5 109.2 82.9 563 222 B E T < 5S+ 0 0 137 -3,-2.4 2,-0.3 1,-0.2 3,-0.3 0.813 77.4 128.7 59.0 33.8 118.8 106.6 82.3 564 223 B L < + 0 0 40 -5,-2.2 -1,-0.2 1,-0.2 -2,-0.2 -0.868 63.9 13.7-117.6 152.9 116.7 108.1 85.1 565 224 B M S > S+ 0 0 1 -2,-0.3 4,-1.9 -167,-0.2 -1,-0.2 0.936 74.9 163.7 49.5 52.0 113.0 109.2 85.0 566 225 B E H > + 0 0 61 -3,-0.3 4,-1.9 2,-0.2 5,-0.1 0.760 67.0 55.2 -73.8 -26.4 112.7 107.3 81.7 567 226 B G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 109.3 48.5 -69.9 -43.9 108.9 107.2 81.8 568 227 B N H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.932 109.5 53.9 -57.3 -48.2 108.8 111.0 82.1 569 228 B A H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.888 105.6 51.5 -55.7 -45.5 111.3 111.2 79.3 570 229 B K H X S+ 0 0 107 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.922 113.1 45.9 -59.3 -44.1 109.2 109.2 76.9 571 230 B I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.924 111.3 51.3 -66.0 -43.1 106.2 111.4 77.7 572 231 B I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.843 104.6 58.2 -63.8 -32.9 108.3 114.6 77.3 573 232 B R H X S+ 0 0 123 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.912 108.5 45.5 -61.5 -41.6 109.6 113.4 73.9 574 233 B L H X S+ 0 0 40 -4,-1.4 4,-1.3 -3,-0.2 -2,-0.2 0.876 113.4 49.6 -68.8 -38.1 105.9 113.2 72.7 575 234 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.922 109.2 51.1 -66.4 -44.6 105.2 116.6 74.2 576 235 B A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.864 104.1 58.7 -61.1 -35.9 108.2 118.2 72.5 577 236 B R H X S+ 0 0 77 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.889 109.9 44.5 -61.0 -37.0 107.1 116.7 69.2 578 237 B D H >X S+ 0 0 3 -4,-1.3 4,-2.0 -3,-0.3 3,-0.8 0.921 107.9 56.1 -72.7 -44.7 103.9 118.7 69.6 579 238 B E H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.837 99.1 62.0 -58.4 -32.3 105.5 121.9 70.8 580 239 B A H 3X S+ 0 0 16 -4,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.899 107.0 45.1 -59.5 -39.8 107.6 121.9 67.6 581 240 B L H > - 0 0 26 -7,-0.4 4,-1.6 -6,-0.2 3,-0.9 -0.842 56.4-155.3-149.5 107.4 97.1 143.0 57.0 600 259 B P H 3> S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 96.8 56.4 -47.1 -44.2 99.1 146.2 56.2 601 260 B E H 3> S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.867 104.6 52.7 -60.3 -38.4 98.2 147.8 59.5 602 261 B M H <> S+ 0 0 1 -3,-0.9 4,-3.0 2,-0.2 -1,-0.2 0.898 107.6 50.8 -64.5 -40.7 99.7 144.9 61.4 603 262 B A H X S+ 0 0 22 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.913 112.7 47.8 -61.7 -41.6 102.9 145.2 59.5 604 263 B E H X S+ 0 0 101 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.934 113.6 46.2 -63.7 -48.1 102.9 148.9 60.4 605 264 B I H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.900 111.4 51.5 -63.0 -43.2 102.2 148.2 64.0 606 265 B A H < S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 107.9 51.9 -63.0 -40.8 104.8 145.4 64.3 607 266 B E H >< S+ 0 0 112 -4,-1.9 3,-1.1 -5,-0.2 4,-0.3 0.917 110.2 50.6 -62.4 -41.5 107.5 147.6 62.9 608 267 B E H 3< S+ 0 0 123 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.879 115.7 39.5 -64.8 -41.0 106.7 150.3 65.4 609 268 B C T 3X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.013 79.6 112.5-101.5 30.8 106.8 148.1 68.4 610 269 B K 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139.5 79.4 620 279 B A H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.949 112.2 48.5 -62.2 -46.0 111.5 136.0 78.8 621 280 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.897 111.2 50.5 -59.5 -41.6 115.1 134.7 78.3 622 281 B Q H X S+ 0 0 88 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.863 107.0 53.9 -65.7 -36.6 116.2 136.4 81.5 623 282 B Q H X S+ 0 0 35 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.890 109.0 48.8 -65.6 -37.6 113.4 134.9 83.5 624 283 B E H X S+ 0 0 2 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.879 112.2 49.3 -68.9 -35.7 114.4 131.5 82.3 625 284 B K H >X S+ 0 0 22 -4,-1.9 3,-1.1 1,-0.2 4,-0.7 0.951 108.7 51.3 -66.4 -50.0 118.0 132.3 83.3 626 285 B D H >X S+ 0 0 63 -4,-3.0 4,-1.1 1,-0.3 3,-0.8 0.820 103.1 61.5 -56.3 -33.2 117.1 133.5 86.7 627 286 B W H 3X S+ 0 0 8 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.851 90.5 67.0 -63.3 -34.0 115.1 130.3 87.2 628 287 B A H < S+ 0 0 25 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.835 117.0 55.0 -53.1 -34.1 116.4 128.7 92.2 631 290 B L H 3< S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.912 118.0 30.3 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5,-0.3 -0.914 65.1 -80.8-153.2 175.9 124.2 123.4 85.8 642 301 B K H > S+ 0 0 76 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 125.5 46.2 -48.6 -50.8 123.5 127.2 86.0 643 302 B D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.7 47.2 -62.5 -50.8 126.1 127.9 83.3 644 303 B I H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 113.8 49.5 -59.0 -46.9 125.2 125.3 80.7 645 304 B L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.915 109.1 50.5 -60.3 -45.5 121.5 126.2 81.0 646 305 B C H X S+ 0 0 26 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.871 110.5 52.0 -61.0 -35.0 122.1 129.9 80.6 647 306 B Q H X S+ 0 0 66 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.921 109.9 48.1 -65.2 -44.7 124.1 129.0 77.5 648 307 B Y H X S+ 0 0 4 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.901 109.2 52.9 -63.7 -42.3 121.3 126.9 76.1 649 308 B V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.934 112.1 45.3 -58.9 -46.0 118.8 129.7 76.8 650 309 B E H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 113.9 50.1 -64.0 -42.6 121.0 132.2 74.8 651 310 B Y H X S+ 0 0 55 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.979 116.3 40.1 -58.6 -57.7 121.5 129.6 72.0 652 311 B I H X S+ 0 0 8 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.892 113.0 55.1 -60.4 -43.8 117.8 128.8 71.6 653 312 B T H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.3 0.922 105.0 52.7 -58.6 -45.1 116.7 132.5 72.1 654 313 B N H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.952 111.5 47.0 -54.8 -50.8 118.9 133.7 69.2 655 314 B I H X S+ 0 0 69 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.937 114.9 44.6 -57.1 -51.3 117.5 131.1 66.9 656 315 B R H X S+ 0 0 34 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.911 113.2 49.9 -63.0 -44.4 113.8 131.8 67.7 657 316 B M H ><>S+ 0 0 0 -4,-2.9 5,-3.0 -5,-0.2 3,-0.9 0.907 110.5 49.5 -63.3 -40.7 114.2 135.6 67.6 658 317 B Q H ><5S+ 0 0 127 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.874 102.6 63.6 -64.9 -34.9 115.9 135.5 64.3 659 318 B A H 3<5S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.4 39.2 -61.7 -24.0 113.1 133.3 63.0 660 319 B V T <<5S- 0 0 1 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.075 125.1 -96.5-114.0 22.5 110.6 136.1 63.6 661 320 B G 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N - 0 0 17 1,-0.2 -1,-0.2 -2,-0.2 -23,-0.1 -0.204 43.0-155.3 -47.7 117.5 124.6 124.2 70.6 672 331 B P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.757 92.1 35.3 -68.4 -24.8 126.1 123.9 74.1 673 332 B I > + 0 0 4 1,-0.1 3,-2.4 -29,-0.1 4,-0.3 -0.544 64.9 167.5-131.4 69.3 124.3 120.6 74.6 674 333 B P G > S+ 0 0 76 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.776 71.4 74.2 -50.9 -30.8 124.3 118.7 71.3 675 334 B W G > S+ 0 0 62 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.737 81.5 69.4 -58.6 -22.8 123.1 115.6 73.2 676 335 B I G X> S+ 0 0 0 -3,-2.4 3,-2.0 1,-0.3 4,-1.3 0.784 80.4 76.0 -67.8 -24.4 119.7 117.1 73.5 677 336 B N G <4 S+ 0 0 101 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.756 82.7 68.5 -56.6 -24.5 119.2 116.6 69.8 678 337 B T G <4 S+ 0 0 90 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.813 109.9 33.1 -64.7 -29.6 118.7 112.9 70.5 679 338 B W T <4 S+ 0 0 47 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.589 107.3 80.9-103.0 -14.2 115.4 113.8 72.2 680 339 B L < 0 0 29 -4,-1.3 -107,-0.1 1,-0.1 -103,-0.1 -0.747 360.0 360.0-103.2 146.3 114.2 116.8 70.2 681 340 B V 0 0 131 -2,-0.3 -1,-0.1 -108,-0.1 -104,-0.1 0.873 360.0 360.0 -54.2 360.0 112.4 116.9 66.8