==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-MAY-04 1T6J . COMPND 2 MOLECULE: PHENYLALANINE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPORIDIUM TORULOIDES; . AUTHOR J.C.CALABRESE,D.B.JORDAN . 1294 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 964 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0.3 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 . 57 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 633 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 5 1 0 1 4 3 1 4 2 0 5 4 1 2 1 1 0 0 0 0 1 1 0 1 3 0 4 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 6 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 39 A T 0 0 118 0, 0.0 2,-1.3 0, 0.0 263,-0.0 0.000 360.0 360.0 360.0 129.3 82.8 21.9 98.3 2 40 A T + 0 0 106 1,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.065 360.0 80.5 -76.0 38.6 79.2 21.2 99.4 3 41 A Q S S+ 0 0 148 -2,-1.3 -1,-0.1 1,-0.4 0, 0.0 -0.772 89.6 23.9-150.2 96.3 79.2 24.6 101.1 4 42 A V - 0 0 70 -2,-0.3 -1,-0.4 0, 0.0 2,-0.2 0.463 68.0-163.2 109.8 108.7 78.5 27.5 98.8 5 43 A T > - 0 0 40 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.635 37.3-102.3-109.1 170.4 76.7 27.1 95.6 6 44 A Q H > S+ 0 0 0 1,-0.2 4,-2.4 -2,-0.2 5,-0.1 0.864 123.6 56.0 -62.3 -35.3 76.5 29.3 92.6 7 45 A V H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.940 102.7 53.3 -63.3 -46.4 73.0 30.3 93.8 8 46 A D H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 112.2 47.6 -50.5 -47.8 74.4 31.4 97.2 9 47 A I H X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.887 110.5 49.6 -60.5 -44.9 76.8 33.6 95.2 10 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.886 110.4 50.3 -65.5 -39.9 74.2 35.1 92.9 11 49 A E H X S+ 0 0 102 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.896 110.9 50.2 -64.5 -39.9 71.9 36.0 95.8 12 50 A K H >X S+ 0 0 116 -4,-2.0 3,-0.8 -5,-0.3 4,-0.7 0.956 113.3 45.4 -62.4 -51.1 74.8 37.7 97.6 13 51 A X H >< S+ 0 0 10 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.901 111.7 51.8 -59.1 -45.0 75.6 39.6 94.4 14 52 A L H 3< S+ 0 0 43 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.669 101.1 63.0 -67.8 -16.8 72.0 40.6 93.8 15 53 A A H << S+ 0 0 64 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.711 73.6 122.3 -80.1 -19.6 71.7 41.9 97.3 16 54 A A << - 0 0 16 -3,-1.2 2,-0.1 -4,-0.7 -3,-0.0 -0.162 68.1-118.1 -45.8 124.7 74.3 44.6 96.6 17 55 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 -0.345 25.7-172.3 -68.4 146.9 72.8 48.0 97.3 18 56 A T S S+ 0 0 72 24,-0.1 4,-0.1 -2,-0.1 -2,-0.1 0.485 86.0 41.6-113.3 -12.9 72.5 50.5 94.5 19 57 A D S S+ 0 0 125 23,-0.1 3,-0.1 2,-0.1 0, 0.0 0.873 95.8 76.2 -99.2 -58.5 71.3 53.4 96.7 20 58 A S S S- 0 0 49 1,-0.1 2,-0.2 22,-0.1 0, 0.0 -0.217 94.1 -99.0 -56.7 147.2 73.5 53.2 99.9 21 59 A T - 0 0 63 21,-0.1 2,-0.5 1,-0.1 23,-0.2 -0.470 31.8-127.6 -72.1 139.5 77.0 54.5 99.4 22 60 A L E -a 44 0A 6 21,-2.8 23,-2.3 -2,-0.2 2,-0.6 -0.751 19.5-150.4 -88.1 128.6 79.7 51.9 98.8 23 61 A E E -a 45 0A 79 -2,-0.5 2,-0.6 21,-0.2 23,-0.2 -0.893 2.5-150.5-107.6 119.6 82.7 52.3 101.1 24 62 A L E +a 46 0A 0 21,-2.5 23,-1.9 -2,-0.6 300,-0.0 -0.763 27.4 159.9 -89.2 117.3 86.1 51.2 99.9 25 63 A D - 0 0 33 -2,-0.6 -1,-0.1 21,-0.2 21,-0.1 0.232 58.8-108.0-119.9 9.6 88.4 50.0 102.6 26 64 A G S S+ 0 0 0 1,-0.1 -2,-0.1 300,-0.0 96,-0.1 0.379 106.4 46.2 80.2 -3.3 90.9 47.9 100.6 27 65 A Y S S+ 0 0 107 298,-0.1 -1,-0.1 3,-0.0 297,-0.1 0.617 100.8 50.9-140.1 -27.8 89.7 44.5 101.8 28 66 A S + 0 0 69 -5,-0.1 2,-0.2 2,-0.1 297,-0.1 0.464 67.7 124.3 -99.7 -0.4 85.9 44.1 101.8 29 67 A L - 0 0 5 295,-0.6 2,-0.2 4,-0.1 -5,-0.0 -0.434 44.2-168.0 -60.7 120.7 85.0 45.1 98.3 30 68 A N > - 0 0 40 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.568 34.0-102.0-108.3 174.5 83.1 42.2 96.7 31 69 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.878 120.6 52.8 -62.9 -40.6 82.0 41.3 93.2 32 70 A G H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 108.8 54.0 -62.0 -36.3 78.4 42.4 93.7 33 71 A D H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.962 107.6 45.9 -63.6 -53.3 79.7 45.7 94.9 34 72 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.895 113.0 51.8 -60.2 -37.2 81.9 46.5 91.9 35 73 A V H X>S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 5,-0.6 0.884 108.0 51.2 -65.7 -36.9 79.1 45.5 89.6 36 74 A S H X5S+ 0 0 7 -4,-2.1 6,-1.5 1,-0.2 4,-1.1 0.858 113.6 45.6 -67.2 -33.2 76.6 47.8 91.4 37 75 A A H <5S+ 0 0 0 -4,-1.9 4,-0.3 4,-0.2 -2,-0.2 0.842 116.0 44.7 -76.0 -38.0 79.1 50.7 91.1 38 76 A A H <5S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.2 72,-0.2 0.913 131.1 17.1 -75.3 -42.2 79.9 50.1 87.4 39 77 A R H <5S+ 0 0 63 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.742 125.7 46.7-103.8 -30.7 76.4 49.5 86.1 40 78 A K S < S+ 0 0 105 -3,-0.3 4,-3.1 0, 0.0 5,-0.2 -0.375 98.1 66.8 118.9 -44.9 91.1 57.3 109.9 51 89 A E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.924 104.9 44.8 -67.3 -43.6 93.0 54.0 109.9 52 90 A I H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 115.3 47.2 -64.8 -45.5 92.7 54.2 106.1 53 91 A R H > S+ 0 0 106 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.924 111.3 51.5 -62.1 -46.5 93.6 57.8 106.0 54 92 A S H X S+ 0 0 51 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.934 110.6 45.4 -58.3 -52.7 96.6 57.3 108.3 55 93 A K H X S+ 0 0 46 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.838 115.5 49.8 -62.2 -32.8 98.2 54.5 106.3 56 94 A I H X S+ 0 0 5 -4,-1.7 4,-1.9 -5,-0.2 3,-0.4 0.980 114.0 43.1 -66.9 -55.9 97.6 56.4 103.1 57 95 A D H X S+ 0 0 114 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.848 113.1 54.4 -58.0 -36.1 99.2 59.6 104.5 58 96 A K H X S+ 0 0 126 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.842 104.7 53.6 -67.1 -35.2 102.0 57.5 106.0 59 97 A S H X S+ 0 0 0 -4,-1.6 4,-1.0 -3,-0.4 -2,-0.2 0.930 111.1 45.9 -64.6 -45.0 102.7 55.9 102.6 60 98 A V H >X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 3,-0.6 0.930 112.9 49.5 -62.9 -48.8 103.1 59.4 101.1 61 99 A E H 3X S+ 0 0 88 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.931 105.2 56.5 -57.7 -49.7 105.2 60.7 103.9 62 100 A F H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.788 112.8 44.3 -53.9 -28.7 107.6 57.7 103.8 63 101 A L H X< S+ 0 0 52 -4,-1.0 3,-2.6 -3,-0.6 -1,-0.2 0.869 103.5 60.9 -84.1 -40.1 108.2 58.6 100.2 64 102 A R H 3< S+ 0 0 176 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 108.1 47.2 -55.1 -34.1 108.5 62.4 100.6 65 103 A S T 3< 0 0 67 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.378 360.0 360.0 -88.4 4.1 111.5 61.6 102.8 66 104 A Q < 0 0 196 -3,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.335 360.0 360.0 55.5 360.0 112.8 59.2 100.2 67 ! 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 68 124 A T 0 0 179 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.3 111.5 68.4 94.1 69 125 A E >> + 0 0 151 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.233 360.0 19.0-160.9-103.9 112.2 68.7 90.4 70 126 A D H 3> S+ 0 0 111 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.401 98.4 97.2 -70.0 2.9 111.9 66.1 87.6 71 127 A A H 3> S+ 0 0 33 2,-0.2 4,-0.9 1,-0.2 134,-0.3 0.915 94.0 32.0 -59.3 -44.4 109.6 64.3 89.9 72 128 A I H <> S+ 0 0 66 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.855 117.7 56.7 -80.0 -38.1 106.6 65.8 88.2 73 129 A S H X S+ 0 0 61 -4,-0.7 4,-1.6 1,-0.2 -2,-0.2 0.930 103.3 53.7 -57.9 -48.9 108.3 66.0 84.8 74 130 A L H X S+ 0 0 99 -4,-3.4 4,-1.5 1,-0.2 3,-0.4 0.905 105.3 54.9 -53.1 -45.1 109.0 62.2 84.9 75 131 A Q H >X S+ 0 0 9 -4,-0.9 4,-1.7 1,-0.3 3,-0.7 0.929 104.9 53.1 -54.8 -46.8 105.3 61.6 85.5 76 132 A K H 3X S+ 0 0 137 -4,-1.9 4,-1.6 1,-0.3 -1,-0.3 0.844 109.6 49.3 -58.4 -33.5 104.5 63.7 82.4 77 133 A A H 3X S+ 0 0 42 -4,-1.6 4,-1.0 -3,-0.4 -1,-0.3 0.714 109.8 50.5 -78.6 -22.5 106.9 61.4 80.4 78 134 A L H << S+ 0 0 46 -4,-1.5 4,-0.3 -3,-0.7 -2,-0.2 0.698 114.4 44.2 -86.2 -21.5 105.2 58.3 81.8 79 135 A L H X S+ 0 0 14 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.774 106.6 62.3 -90.6 -31.4 101.8 59.5 80.8 80 136 A E H >< S+ 0 0 142 -4,-1.6 3,-0.8 -5,-0.3 -2,-0.2 0.966 105.9 40.7 -59.2 -59.7 102.9 60.8 77.4 81 137 A H T 3< S+ 0 0 106 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.704 112.7 57.6 -67.0 -18.9 104.0 57.5 75.9 82 138 A Q T 34 S+ 0 0 27 -4,-0.3 2,-2.3 1,-0.2 -1,-0.2 0.744 85.3 76.9 -83.7 -24.6 101.0 55.6 77.4 83 139 A L << + 0 0 44 -4,-1.3 -1,-0.2 -3,-0.8 -4,-0.1 -0.453 65.9 117.6 -83.3 66.5 98.3 57.9 75.8 84 140 A C + 0 0 91 -2,-2.3 -1,-0.2 -3,-0.1 2,-0.1 0.133 37.7 113.4-120.1 15.4 99.0 55.9 72.6 85 141 A G - 0 0 23 -3,-0.2 2,-0.4 73,-0.1 66,-0.1 -0.440 66.6-102.5 -91.7 167.3 95.7 54.2 71.8 86 142 A V + 0 0 104 64,-0.3 63,-0.4 -2,-0.1 64,-0.2 -0.690 44.8 154.2 -93.9 138.6 93.2 54.7 69.0 87 143 A L - 0 0 50 -2,-0.4 2,-0.2 61,-0.1 13,-0.1 -0.974 57.8 -73.1-154.4 149.5 90.0 56.7 69.4 88 144 A P - 0 0 38 0, 0.0 6,-0.0 0, 0.0 -2,-0.0 -0.292 39.4-150.6 -52.8 114.5 87.9 58.6 66.9 89 145 A S S S+ 0 0 123 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.823 75.5 17.1 -57.1 -34.0 89.9 61.7 66.1 90 146 A S S S- 0 0 44 1,-0.0 3,-0.4 0, 0.0 4,-0.2 -0.850 70.9-120.2-136.0 171.4 86.7 63.7 65.4 91 147 A F S > S+ 0 0 138 -2,-0.3 3,-1.1 1,-0.2 -1,-0.0 0.602 100.1 82.2 -86.2 -13.7 82.9 63.6 66.0 92 148 A D T 3 S+ 0 0 138 1,-0.3 -1,-0.2 -4,-0.0 -3,-0.0 0.793 84.6 59.2 -60.8 -30.0 82.4 63.7 62.2 93 149 A S T 3 S+ 0 0 67 -3,-0.4 -1,-0.3 6,-0.1 -2,-0.2 0.739 83.5 103.5 -73.6 -23.1 83.0 59.9 62.1 94 150 A F < + 0 0 39 -3,-1.1 2,-0.3 -4,-0.2 5,-0.2 -0.188 48.8 178.0 -58.9 152.9 80.1 59.2 64.5 95 151 A R B > -B 98 0B 172 3,-0.9 3,-2.2 0, 0.0 2,-0.2 -0.902 44.5 -58.5-147.4 171.0 76.9 57.9 62.9 96 152 A L T 3 S- 0 0 177 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.394 124.9 -5.2 -59.1 122.6 73.5 56.7 64.2 97 153 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -2,-0.2 2,-0.3 0.675 127.5 77.4 65.6 20.6 74.1 53.9 66.6 98 154 A R B < +B 95 0B 176 -3,-2.2 -3,-0.9 1,-0.0 -1,-0.2 -0.898 42.5 87.0-147.1 172.0 77.8 53.9 65.9 99 155 A G S S+ 0 0 7 -2,-0.3 3,-0.3 -5,-0.2 -5,-0.1 -0.054 78.7 64.6 127.8 -39.3 81.0 55.8 66.7 100 156 A L > + 0 0 62 1,-0.2 3,-1.5 -13,-0.1 -6,-0.0 0.023 57.5 119.3-109.9 29.0 82.5 54.6 70.0 101 157 A E T 3 S+ 0 0 101 1,-0.3 -1,-0.2 4,-0.0 -14,-0.0 0.804 74.7 56.7 -60.5 -33.7 83.5 51.0 68.9 102 158 A N T 3 S+ 0 0 63 -3,-0.3 47,-1.6 47,-0.1 2,-0.3 0.093 96.2 84.7 -88.4 24.1 87.1 51.8 69.6 103 159 A S B < S-C 148 0C 18 -3,-1.5 3,-0.1 45,-0.3 43,-0.1 -0.938 84.4-106.7-126.7 150.1 86.4 52.8 73.2 104 160 A L - 0 0 6 43,-3.4 43,-0.3 -2,-0.3 45,-0.1 -0.426 50.5 -92.4 -70.0 143.0 86.1 50.7 76.3 105 161 A P >> - 0 0 53 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.310 31.9-121.2 -58.8 141.9 82.5 50.3 77.6 106 162 A L H 3> S+ 0 0 69 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 111.3 55.4 -52.2 -42.1 81.6 52.9 80.2 107 163 A E H 3> S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.803 105.0 53.2 -63.7 -30.0 80.8 50.3 82.9 108 164 A V H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.925 110.9 46.5 -69.6 -43.4 84.3 48.8 82.5 109 165 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.902 113.8 47.6 -65.5 -42.5 85.8 52.3 83.1 110 166 A R H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 114.3 47.3 -65.4 -39.2 83.6 53.0 86.1 111 167 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.851 110.1 53.7 -69.1 -33.0 84.4 49.5 87.5 112 168 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.905 108.1 48.9 -67.0 -42.0 88.1 50.1 86.8 113 169 A X H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 110.3 51.5 -66.2 -37.7 88.0 53.4 88.8 114 170 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.931 114.0 42.8 -64.4 -44.7 86.2 51.8 91.7 115 171 A I H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.847 110.4 57.6 -69.0 -34.8 88.8 49.0 91.9 116 172 A R H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.926 110.9 42.6 -60.9 -46.6 91.6 51.5 91.4 117 173 A V H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.4 0.964 109.0 56.8 -65.3 -52.8 90.5 53.4 94.4 118 174 A N H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.849 110.5 44.8 -47.5 -43.6 89.9 50.4 96.6 119 175 A S H >< S+ 0 0 3 -4,-1.9 3,-1.7 1,-0.2 5,-0.3 0.844 105.7 60.2 -72.8 -33.6 93.4 49.1 96.2 120 176 A L H >< S+ 0 0 3 -4,-1.5 3,-0.8 -3,-0.4 7,-0.3 0.647 93.3 68.2 -68.6 -11.8 95.0 52.5 96.7 121 177 A T T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.493 78.6 81.5 -84.0 -1.9 93.5 52.6 100.2 122 178 A R T < S- 0 0 29 -3,-1.7 -1,-0.2 -96,-0.1 -2,-0.1 0.453 99.5-125.7 -82.3 -0.3 95.8 49.7 101.3 123 179 A G S < S+ 0 0 3 -3,-0.8 -2,-0.1 4,-0.1 -3,-0.1 0.881 85.1 101.8 57.9 43.2 98.6 52.2 101.9 124 180 A H S S+ 0 0 52 -5,-0.3 209,-2.3 -4,-0.1 211,-0.1 0.525 72.7 57.1-122.8 -24.3 101.1 50.4 99.7 125 181 A S S S- 0 0 0 -6,-0.2 84,-0.1 -5,-0.2 205,-0.1 0.789 89.6-138.8 -82.2 -32.4 100.9 52.7 96.6 126 182 A A + 0 0 9 1,-0.2 2,-0.5 -6,-0.2 83,-0.1 0.909 48.1 145.5 72.4 45.1 101.8 56.0 98.2 127 183 A V - 0 0 3 -7,-0.3 -1,-0.2 82,-0.1 5,-0.2 -0.970 53.6-104.1-119.3 125.4 99.3 58.2 96.4 128 184 A R >> - 0 0 88 -2,-0.5 3,-1.5 1,-0.1 4,-1.1 0.009 22.1-124.3 -45.4 142.9 97.6 61.1 98.1 129 185 A L H 3> S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.755 109.8 66.1 -61.4 -26.7 94.0 60.8 99.3 130 186 A V H 3> S+ 0 0 67 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.767 99.5 53.2 -68.3 -22.5 93.0 63.8 97.2 131 187 A V H <> S+ 0 0 0 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.882 106.8 48.6 -78.8 -38.8 93.9 61.7 94.2 132 188 A L H X S+ 0 0 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-1,-0.3 20,-0.1 -2,-0.1 0.598 105.8 41.9 -67.3 -6.7 47.4 34.7 82.8 584 651 A S G < S+ 0 0 81 -3,-2.7 -1,-0.3 -7,-0.1 -2,-0.2 0.261 85.8 148.1-120.1 8.8 44.9 31.9 82.3 585 652 A S X - 0 0 7 -3,-1.8 3,-0.9 1,-0.1 -4,-0.1 -0.033 55.6-127.7 -45.8 144.6 46.9 29.7 80.1 586 653 A P G > S+ 0 0 28 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.624 107.0 70.9 -70.0 -15.5 46.4 25.9 80.4 587 654 A A G >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-2.2 0.830 81.7 71.0 -69.9 -33.4 50.1 25.6 80.8 588 655 A L G <4 S+ 0 0 47 -3,-0.9 -1,-0.2 1,-0.3 -3,-0.1 0.449 95.8 54.2 -64.4 1.3 49.9 27.2 84.3 589 656 A S G <4 S+ 0 0 63 -3,-1.1 -1,-0.3 -307,-0.0 -2,-0.2 0.270 117.0 32.4-117.3 8.2 48.2 24.0 85.5 590 657 A Y T <4 S+ 0 0 18 -3,-2.2 -308,-2.9 2,-0.1 -307,-0.9 0.518 96.3 95.6-128.4 -32.0 51.0 21.6 84.4 591 658 A L S < S- 0 0 5 -4,-2.7 -313,-0.0 -310,-0.2 5,-0.0 -0.383 86.1-102.6 -66.4 138.4 54.0 23.8 84.8 592 659 A S > - 0 0 0 1,-0.1 4,-1.7 -2,-0.1 -312,-0.1 -0.228 32.4-111.3 -59.2 153.5 55.9 23.4 88.1 593 660 A P T 4 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.832 116.9 43.8 -56.0 -34.7 55.3 26.2 90.6 594 661 A R T >4 S+ 0 0 69 -315,-0.3 3,-1.4 -317,-0.3 4,-0.5 0.905 113.9 44.7 -80.5 -45.3 58.9 27.4 90.1 595 662 A T T >> S+ 0 0 0 -318,-0.6 4,-1.7 1,-0.3 3,-0.7 0.737 102.6 70.8 -70.0 -20.0 59.3 27.2 86.3 596 663 A Q H 3X S+ 0 0 64 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.692 88.9 64.5 -66.5 -19.5 55.8 28.8 86.2 597 664 A I H <> S+ 0 0 41 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.832 103.0 43.2 -74.4 -35.7 57.6 31.9 87.4 598 665 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.5 5,-0.3 0.867 111.1 56.3 -77.3 -37.5 59.8 32.3 84.3 599 666 A Y H X S+ 0 0 2 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.954 110.6 44.0 -55.7 -53.0 56.8 31.6 82.1 600 667 A A H X>S+ 0 0 37 -4,-1.9 4,-2.6 1,-0.2 5,-1.2 0.847 110.4 56.4 -63.2 -36.3 54.8 34.4 83.7 601 668 A F H <>S+ 0 0 4 -4,-1.4 5,-1.6 3,-0.2 4,-0.2 0.955 117.1 33.6 -61.8 -49.3 57.8 36.7 83.5 602 669 A V H <5S+ 0 0 0 -4,-2.6 6,-1.3 3,-0.2 -2,-0.2 0.928 125.3 41.8 -72.4 -45.6 58.2 36.3 79.7 603 670 A R H <5S+ 0 0 4 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.872 130.3 22.5 -71.2 -39.0 54.5 35.9 78.9 604 671 A E T <5S+ 0 0 65 -4,-2.6 3,-0.2 -5,-0.3 -3,-0.2 0.930 129.3 34.2 -93.3 -63.4 53.2 38.7 81.2 605 672 A E T - 0 0 8 -222,-0.1 4,-2.2 -223,-0.1 5,-0.3 0.161 16.6-118.8 129.3 113.4 51.0 31.9 62.8 614 681 A D H >>S+ 0 0 53 1,-0.2 5,-1.8 2,-0.2 4,-1.6 0.872 111.7 53.1 -36.1 -60.4 50.9 34.8 60.3 615 682 A V H >45S+ 0 0 86 -219,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.926 111.3 43.4 -43.5 -66.7 49.3 32.7 57.6 616 683 A F H 345S+ 0 0 106 1,-0.3 -1,-0.2 -220,-0.2 -2,-0.2 0.932 116.4 47.0 -46.0 -59.5 46.4 31.4 59.7 617 684 A L H 3<5S- 0 0 66 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.688 103.6-134.7 -58.2 -19.1 45.7 34.9 61.3 618 685 A G T <<5S+ 0 0 69 -4,-1.6 2,-0.3 -3,-1.4 -3,-0.2 0.837 74.2 99.2 64.1 30.4 45.9 36.3 57.7 619 686 A K S - 0 0 80 -3,-0.1 4,-1.2 1,-0.1 -1,-0.1 0.015 18.0-117.9 -55.2 158.3 58.2 39.4 64.0 624 691 A I H >> S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.925 116.9 56.1 -60.8 -44.8 59.6 36.5 66.1 625 692 A G H 3> S+ 0 0 39 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.891 101.0 55.7 -55.9 -43.0 62.9 38.3 66.2 626 693 A S H 3> S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.865 113.2 43.9 -59.0 -34.5 61.3 41.4 67.7 627 694 A N H X S+ 0 0 10 -4,-2.8 4,-2.8 1,-0.2 3,-0.8 0.926 107.1 60.0 -63.1 -40.6 63.2 37.2 71.0 629 696 A S H 3X S+ 0 0 57 -4,-3.4 4,-2.4 1,-0.3 -1,-0.2 0.837 101.3 53.3 -54.4 -36.3 64.9 40.6 71.1 630 697 A K H 3X S+ 0 0 75 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.3 0.824 109.8 46.6 -69.7 -34.2 62.8 41.5 74.1 631 698 A I H X S+ 0 0 18 -4,-0.6 3,-2.0 -5,-0.2 4,-0.5 0.372 71.2 132.0 91.2 -4.5 69.6 41.8 84.2 639 706 A R T >4 S+ 0 0 123 -5,-0.5 3,-0.6 -6,-0.3 4,-0.5 0.872 71.8 54.4 -46.9 -42.0 65.9 42.2 84.7 640 707 A I T >> S+ 0 0 2 -6,-1.7 4,-2.3 1,-0.2 3,-0.8 0.736 85.3 86.8 -66.7 -23.1 65.6 38.4 84.6 641 708 A N H <> S+ 0 0 14 -3,-2.0 4,-2.5 -7,-0.3 -1,-0.2 0.884 89.2 46.1 -46.0 -54.0 68.2 37.9 87.4 642 709 A N H S+ 0 0 15 -3,-0.8 4,-2.1 -4,-0.5 -1,-0.2 0.950 109.2 46.1 -65.7 -47.1 63.4 35.9 88.4 644 711 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.933 113.7 48.7 -59.8 -47.3 66.1 33.3 88.3 645 712 A L H >X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.2 3,-0.5 0.939 110.9 51.3 -58.6 -48.0 66.9 33.9 92.0 646 713 A K H 3< S+ 0 0 149 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 111.0 46.0 -60.5 -36.8 63.3 33.6 93.0 647 714 A X H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.709 122.6 36.2 -81.5 -17.5 62.7 30.3 91.2 648 715 A L H << 0 0 3 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.562 360.0 360.0-107.6 -15.4 65.9 28.7 92.6 649 716 A A < 0 0 84 -4,-2.3 -641,-0.0 -5,-0.2 -3,-0.0 -0.116 360.0 360.0 -55.9 360.0 66.0 30.3 96.0 650 !* 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 0.0 651 39 B T 0 0 138 0, 0.0 263,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.2 91.2 26.8 36.0 652 40 B T + 0 0 118 3,-0.0 2,-0.5 266,-0.0 3,-0.1 0.388 360.0 90.1 -71.0 4.0 89.3 24.1 34.1 653 41 B Q S S+ 0 0 152 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.885 85.9 15.9-103.5 133.1 92.6 22.6 33.0 654 42 B V S S- 0 0 85 -2,-0.5 2,-0.2 4,-0.0 -1,-0.1 0.684 71.0-158.0 73.8 120.0 94.2 20.0 35.2 655 43 B T > - 0 0 31 1,-0.1 4,-1.6 -3,-0.1 5,-0.1 -0.684 35.1 -98.4-119.8 174.2 92.1 18.3 37.8 656 44 B Q H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 125.8 52.3 -62.7 -39.0 93.0 16.5 41.1 657 45 B V H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.889 104.3 56.2 -63.9 -39.0 92.7 13.2 39.2 658 46 B D H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 111.5 44.7 -58.0 -38.2 95.0 14.4 36.5 659 47 B I H X S+ 0 0 16 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.917 113.1 48.5 -73.0 -45.0 97.6 15.0 39.2 660 48 B V H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.926 110.8 51.6 -60.6 -46.5 97.0 11.7 41.0 661 49 B E H < S+ 0 0 100 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.941 110.6 48.9 -54.6 -48.9 97.3 9.9 37.7 662 50 B K H >< S+ 0 0 111 -4,-1.7 3,-0.8 -5,-0.3 -1,-0.2 0.893 113.2 47.4 -59.4 -42.1 100.6 11.7 37.1 663 51 B X H >< S+ 0 0 12 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.935 108.3 52.5 -67.1 -46.9 101.8 10.8 40.6 664 52 B L T 3< S+ 0 0 45 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.470 100.3 67.6 -68.7 1.7 100.9 7.1 40.4 665 53 B A T < + 0 0 61 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.315 69.7 118.4-100.9 4.0 102.8 7.0 37.2 666 54 B A < - 0 0 16 -3,-2.0 -3,-0.0 1,-0.1 -4,-0.0 -0.639 69.1-122.9 -77.0 114.3 106.1 7.6 38.9 667 55 B P - 0 0 59 0, 0.0 25,-0.1 0, 0.0 -2,-0.1 -0.159 21.5-167.9 -54.7 147.5 108.3 4.5 38.3 668 56 B T S S+ 0 0 51 24,-0.1 4,-0.1 23,-0.1 -2,-0.0 0.626 87.5 35.9-109.4 -25.0 109.6 2.6 41.3 669 57 B D S S+ 0 0 137 23,-0.2 3,-0.1 2,-0.1 21,-0.0 0.881 96.7 84.0 -93.7 -51.9 112.2 0.4 39.5 670 58 B S S S- 0 0 76 1,-0.1 2,-0.0 22,-0.1 0, 0.0 -0.306 93.3-105.0 -54.5 132.5 113.5 2.8 36.8 671 59 B T - 0 0 68 21,-0.1 2,-0.5 1,-0.1 23,-0.2 -0.323 27.9-130.3 -64.6 143.7 116.2 4.9 38.3 672 60 B L E -i 694 0H 4 21,-3.1 23,-1.6 -4,-0.1 2,-0.6 -0.861 16.8-154.8 -98.8 122.9 115.4 8.5 39.1 673 61 B E E -i 695 0H 100 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.883 6.1-148.3-104.0 117.8 117.8 11.2 37.9 674 62 B L E +i 696 0H 1 21,-3.0 23,-1.4 -2,-0.6 300,-0.0 -0.700 27.0 162.4 -85.1 128.0 118.0 14.5 39.8 675 63 B D - 0 0 36 -2,-0.4 -1,-0.1 21,-0.2 21,-0.1 0.159 58.5-105.4-129.8 14.2 118.8 17.5 37.6 676 64 B G S S+ 0 0 0 1,-0.1 -2,-0.1 300,-0.0 96,-0.1 0.470 108.2 44.4 77.5 2.1 117.6 20.3 39.9 677 65 B Y S S+ 0 0 109 298,-0.1 -1,-0.1 299,-0.0 297,-0.1 0.524 99.5 56.7-147.3 -21.5 114.5 21.2 38.0 678 66 B S + 0 0 59 -5,-0.1 297,-0.1 2,-0.0 296,-0.1 0.591 64.8 128.0 -97.3 -11.3 112.5 18.2 36.9 679 67 B L - 0 0 8 295,-0.4 2,-0.2 294,-0.1 295,-0.1 -0.213 43.5-158.4 -48.8 125.4 111.8 16.4 40.2 680 68 B N > - 0 0 54 1,-0.1 4,-2.4 293,-0.1 5,-0.1 -0.501 28.9-116.8 -99.9 172.8 108.1 15.7 40.6 681 69 B L H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.719 121.1 54.6 -80.5 -22.8 106.1 15.1 43.8 682 70 B G H > S+ 0 0 4 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.882 109.5 48.7 -74.0 -37.4 105.4 11.6 42.4 683 71 B D H >> S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 3,-0.8 0.998 108.3 50.7 -61.5 -67.0 109.1 11.2 42.1 684 72 B V H 3X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.3 -1,-0.2 0.835 112.7 48.9 -38.1 -47.4 110.0 12.4 45.6 685 73 B V H >X>S+ 0 0 10 -4,-1.6 4,-2.8 1,-0.2 3,-0.7 0.884 107.8 51.9 -65.0 -42.4 107.4 9.9 46.9 686 74 B S H - 0 0 17 -2,-1.6 4,-1.6 -3,-0.2 5,-0.1 -0.980 58.5-141.5-141.3 152.5 125.3 15.1 32.7 700 88 B D H > S+ 0 0 104 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.848 104.1 58.4 -79.6 -37.1 128.3 17.3 32.0 701 89 B E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.974 108.6 44.7 -54.4 -58.5 126.2 20.5 32.5 702 90 B I H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.962 116.4 45.2 -49.5 -63.4 125.3 19.4 36.0 703 91 B R H X S+ 0 0 80 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.787 112.2 56.3 -52.4 -31.7 128.8 18.3 36.9 704 92 B S H X S+ 0 0 56 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.996 109.5 39.4 -65.8 -65.4 130.1 21.6 35.4 705 93 B K H X S+ 0 0 62 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.818 116.0 55.5 -55.8 -32.3 128.1 24.1 37.4 706 94 B I H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.989 111.3 41.4 -62.7 -59.8 128.7 22.0 40.5 707 95 B D H X S+ 0 0 92 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.856 115.0 53.6 -55.1 -38.2 132.5 22.0 40.1 708 96 B K H X S+ 0 0 87 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.898 104.0 53.3 -66.4 -42.2 132.3 25.7 39.2 709 97 B S H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.914 113.9 44.5 -59.2 -41.5 130.4 26.7 42.3 710 98 B V H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 3,-0.5 0.969 112.0 51.0 -64.9 -54.7 133.1 24.9 44.3 711 99 B E H X S+ 0 0 128 -4,-2.9 4,-0.8 1,-0.3 -2,-0.2 0.825 106.7 55.7 -51.6 -37.9 136.0 26.4 42.3 712 100 B F H < S+ 0 0 46 -4,-2.6 3,-0.4 2,-0.2 -1,-0.3 0.913 112.2 42.8 -62.6 -43.0 134.5 29.9 42.8 713 101 B L H >< S+ 0 0 41 -4,-1.5 3,-3.4 -3,-0.5 -2,-0.2 0.962 104.8 61.4 -67.1 -53.8 134.5 29.4 46.5 714 102 B R H 3< S+ 0 0 163 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.690 107.3 48.9 -47.8 -21.3 138.0 27.8 46.7 715 103 B S T 3< 0 0 82 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 -0.017 360.0 360.0-109.0 26.6 139.2 31.1 45.3 716 104 B Q < 0 0 204 -3,-3.4 -1,-0.2 -5,-0.0 -2,-0.0 -0.346 360.0 360.0 58.2 360.0 137.3 33.2 47.8 717 ! 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 0.0 718 124 B T 0 0 179 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.4 142.8 26.4 54.8 719 125 B E >> + 0 0 125 2,-0.1 3,-1.9 3,-0.1 4,-0.9 0.741 360.0 36.7-109.2 -86.8 142.4 25.6 58.5 720 126 B D H 3> S+ 0 0 122 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.601 97.7 88.8 -48.6 -12.6 139.5 26.9 60.6 721 127 B A H 3> S+ 0 0 33 1,-0.2 4,-0.7 2,-0.2 134,-0.4 0.916 97.5 32.1 -53.6 -47.8 137.4 26.2 57.4 722 128 B I H <4 S+ 0 0 58 -3,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.840 116.8 58.3 -78.5 -35.7 136.8 22.6 58.5 723 129 B S H >X S+ 0 0 59 -4,-0.9 3,-2.6 1,-0.2 4,-0.6 0.953 101.2 54.2 -57.9 -53.3 136.8 23.5 62.2 724 130 B L H >X S+ 0 0 87 -4,-3.3 4,-2.6 1,-0.3 3,-0.8 0.833 106.5 53.6 -50.7 -36.4 134.0 26.0 61.9 725 131 B Q H 3< S+ 0 0 13 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.564 103.3 55.5 -77.7 -9.3 131.9 23.2 60.3 726 132 B K H <4 S+ 0 0 132 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.465 112.4 44.9 -96.1 -6.4 132.6 21.0 63.3 727 133 B A H S+ 0 0 21 -3,-0.1 4,-0.7 -5,-0.1 -1,-0.2 0.319 105.0 64.3-144.7 -21.5 127.3 20.8 63.5 730 136 B E T >4 S+ 0 0 145 -3,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.968 106.2 40.6 -72.4 -56.8 128.0 20.4 67.2 731 137 B H T 3< S+ 0 0 104 -4,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.679 111.9 59.6 -68.0 -17.3 125.4 22.8 68.4 732 138 B Q T 34 S+ 0 0 25 -5,-0.2 2,-1.7 1,-0.2 3,-0.3 0.700 85.3 75.0 -84.9 -21.3 122.9 21.4 65.9 733 139 B L << + 0 0 38 -3,-0.9 -1,-0.2 -4,-0.7 -4,-0.0 -0.454 64.9 116.1 -88.2 62.5 123.0 17.8 67.1 734 140 B C + 0 0 92 -2,-1.7 -1,-0.2 -3,-0.1 -2,-0.1 0.236 37.5 115.6-115.1 8.9 120.8 18.8 70.1 735 141 B G - 0 0 22 -3,-0.3 2,-0.4 73,-0.1 66,-0.1 -0.196 64.9-109.5 -75.4 172.9 117.7 16.8 69.5 736 142 B V + 0 0 94 64,-0.3 63,-0.3 16,-0.1 64,-0.2 -0.851 44.1 150.5-108.1 141.4 116.3 14.1 71.8 737 143 B L - 0 0 46 -2,-0.4 2,-0.1 61,-0.1 13,-0.1 -0.963 59.3 -61.4-157.8 159.7 116.3 10.4 70.9 738 144 B P - 0 0 42 0, 0.0 6,-0.0 0, 0.0 3,-0.0 -0.296 41.1-152.0 -53.8 121.0 116.5 7.1 72.9 739 145 B S S S+ 0 0 127 -2,-0.1 2,-0.2 2,-0.0 -3,-0.0 0.791 76.2 6.7 -64.3 -29.2 119.9 7.2 74.6 740 146 B S S S- 0 0 39 1,-0.0 3,-0.3 -3,-0.0 4,-0.3 -0.831 71.9-112.9-142.7-179.0 120.0 3.4 74.6 741 147 B F S S+ 0 0 97 -2,-0.2 -2,-0.0 1,-0.2 3,-0.0 0.450 99.0 85.5 -98.3 -2.7 118.1 0.4 73.3 742 148 B D S S+ 0 0 131 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.627 87.1 57.9 -71.8 -12.5 117.1 -0.7 76.8 743 149 B S S S+ 0 0 60 -3,-0.3 -1,-0.2 6,-0.1 -2,-0.2 0.884 83.0 101.3 -82.4 -42.8 114.1 1.6 76.3 744 150 B F + 0 0 49 -4,-0.3 2,-0.2 5,-0.1 5,-0.2 -0.002 49.9 175.5 -44.4 144.1 112.8 -0.0 73.2 745 151 B R B > -J 748 0I 170 3,-1.3 3,-1.9 0, 0.0 2,-0.3 -0.797 44.3 -52.8-141.0-178.5 109.8 -2.3 73.6 746 152 B L T 3 S- 0 0 173 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.486 126.0 -9.7 -64.8 120.0 107.4 -4.3 71.6 747 153 B G T 3 S+ 0 0 77 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.709 127.2 85.5 62.9 21.6 106.0 -2.0 68.9 748 154 B R B < +J 745 0I 172 -3,-1.9 -3,-1.3 1,-0.0 -1,-0.2 -0.947 40.5 83.0-145.3 162.5 107.6 1.0 70.7 749 155 B G S S+ 0 0 12 -2,-0.3 3,-0.2 -5,-0.2 -5,-0.1 -0.047 80.5 60.4 136.9 -39.8 110.9 2.8 70.7 750 156 B L > + 0 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S+ 0 0 3 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.893 114.4 47.3 -50.9 -44.4 117.2 17.5 61.3 810 218 B L H >X S+ 0 0 4 -4,-1.9 3,-2.3 1,-0.2 4,-2.0 0.904 103.7 61.2 -66.0 -41.7 119.6 18.0 58.4 811 219 B S H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.882 99.8 55.7 -52.2 -41.7 122.6 18.1 60.6 812 220 B Y H 3< S+ 0 0 32 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.636 108.4 49.7 -66.5 -13.7 121.8 14.6 61.7 813 221 B I H <> S+ 0 0 8 -3,-2.3 4,-1.0 -4,-0.3 -2,-0.2 0.804 111.9 46.1 -91.2 -35.9 121.9 13.7 58.1 814 222 B A H >X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 3,-1.1 0.966 110.8 51.4 -68.4 -53.9 125.3 15.3 57.4 815 223 B A H 3<>S+ 0 0 0 -4,-3.0 5,-1.1 1,-0.3 -1,-0.2 0.693 106.6 58.4 -57.5 -19.3 126.9 13.9 60.5 816 224 B A H 345S+ 0 0 0 -5,-0.3 -1,-0.3 3,-0.2 -2,-0.2 0.825 115.2 31.6 -81.9 -33.3 125.7 10.5 59.3 817 225 B I H <<5S+ 0 0 1 -3,-1.1 33,-2.1 -4,-1.0 -2,-0.2 0.390 115.5 61.0-101.0 -1.2 127.5 10.6 55.9 818 226 B S T <5S- 0 0 29 -4,-1.4 -1,-0.2 31,-0.2 -2,-0.2 0.282 115.7-116.2-103.2 4.7 130.3 12.6 57.5 819 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3,-2.8 -18,-0.5 4,-1.9 0.966 120.4 29.4 -50.2 -82.4 127.6 5.9 60.8 839 247 B R H 3> S+ 0 0 115 1,-0.3 4,-1.3 -19,-0.3 -1,-0.2 0.721 115.2 65.7 -54.2 -22.0 131.0 4.4 59.9 840 248 B E H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.561 110.0 35.8 -78.5 -7.3 129.8 1.0 61.2 841 249 B A H X< S+ 0 0 0 -3,-2.8 3,-1.1 -4,-0.5 4,-0.4 0.682 114.3 53.6-111.1 -34.0 127.2 0.9 58.5 842 250 B X H 3<>S+ 0 0 3 -4,-1.9 5,-1.5 1,-0.3 3,-0.5 0.751 103.8 58.7 -72.2 -24.9 129.2 2.5 55.6 843 251 B A T 3<5S+ 0 0 87 -4,-1.3 -1,-0.3 -5,-0.3 -3,-0.1 0.112 101.9 56.7 -90.0 20.0 132.0 -0.0 56.3 844 252 B L T < 5S+ 0 0 76 -3,-1.1 -1,-0.2 3,-0.0 -2,-0.2 0.442 112.7 37.4-121.6 -16.5 129.4 -2.7 55.5 845 253 B F T 5S- 0 0 56 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.1 0.167 114.5-108.0-120.7 13.3 128.5 -1.4 52.1 846 254 B N T 5S+ 0 0 159 1,-0.2 -3,-0.2 -4,-0.1 2,-0.1 0.531 70.2 150.1 71.8 7.2 132.0 -0.3 51.1 847 255 B L < - 0 0 20 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.440 39.8-140.3 -75.1 146.1 130.9 3.3 51.5 848 256 B E - 0 0 165 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4,-1.7 -5,-0.3 -1,-0.3 0.801 111.7 49.5 -63.7 -27.5 64.1 -14.8 55.0 1222 639 B Q H X S+ 0 0 31 -4,-1.9 4,-2.4 -5,-0.3 3,-0.9 0.986 107.6 43.4 -67.4 -59.2 68.5 -13.4 52.7 1225 642 B E H 3X S+ 0 0 91 -4,-1.7 4,-1.2 1,-0.3 -2,-0.2 0.812 110.3 58.1 -56.3 -31.9 69.7 -17.0 52.6 1226 643 B T H 3X S+ 0 0 91 -4,-2.1 4,-1.0 2,-0.2 -1,-0.3 0.875 110.1 45.2 -64.7 -36.1 69.9 -16.7 48.9 1227 644 B F H << S+ 0 0 19 -4,-1.2 3,-0.4 -3,-0.9 -2,-0.2 0.944 113.9 45.5 -71.9 -50.7 72.3 -13.8 49.5 1228 645 B W H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.603 110.0 56.8 -71.4 -11.2 74.4 -15.4 52.2 1229 646 B S H < S+ 0 0 91 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.2 0.792 95.4 74.3 -87.7 -32.1 74.7 -18.7 50.2 1230 647 B A S < S- 0 0 45 -4,-1.0 4,-0.0 -3,-0.4 5,-0.0 -0.615 92.0-107.3 -84.9 140.8 76.2 -17.1 47.1 1231 648 B A > - 0 0 58 -2,-0.3 3,-2.2 1,-0.1 -1,-0.1 -0.202 32.4-109.2 -59.4 156.6 79.8 -15.9 47.1 1232 649 B S G > S+ 0 0 18 1,-0.3 3,-2.9 2,-0.2 -1,-0.1 0.854 118.1 71.3 -58.0 -33.8 80.3 -12.2 47.2 1233 650 B T G 3 S+ 0 0 85 1,-0.3 -1,-0.3 20,-0.1 -2,-0.1 0.547 106.2 39.8 -59.4 -4.9 81.5 -12.4 43.6 1234 651 B S G < S+ 0 0 78 -3,-2.2 -1,-0.3 -7,-0.1 -2,-0.2 0.100 83.7 145.9-130.3 19.0 77.8 -13.1 42.9 1235 652 B S X - 0 0 4 -3,-2.9 3,-1.9 1,-0.2 4,-0.3 -0.350 56.9-127.8 -61.2 134.8 76.3 -10.6 45.4 1236 653 B P G > S+ 0 0 20 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.648 104.0 78.5 -58.6 -13.1 73.0 -9.1 44.1 1237 654 B A G >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.7 0.860 80.7 64.9 -63.1 -36.8 74.7 -5.7 44.8 1238 655 B L G <4 S+ 0 0 51 -3,-1.9 -1,-0.3 1,-0.3 8,-0.1 0.662 95.7 60.3 -61.1 -16.0 76.7 -6.0 41.6 1239 656 B S G <4 S+ 0 0 68 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.659 117.0 27.3 -86.6 -18.1 73.4 -5.8 39.8 1240 657 B Y T <4 S+ 0 0 32 -3,-1.7 -308,-3.3 -4,-0.4 -307,-0.9 0.734 96.8 96.0-112.6 -35.2 72.5 -2.3 41.1 1241 658 B L S < S- 0 0 6 -4,-3.0 -313,-0.0 -310,-0.2 -350,-0.0 -0.211 84.3-100.4 -58.8 148.5 75.9 -0.7 41.9 1242 659 B S > - 0 0 0 1,-0.1 4,-2.2 -315,-0.1 5,-0.2 -0.334 33.0-112.0 -66.2 154.3 77.3 1.6 39.3 1243 660 B P H > S+ 0 0 79 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.905 116.6 44.8 -53.0 -46.6 80.0 0.1 37.1 1244 661 B R H >4 S+ 0 0 63 -315,-0.3 3,-0.5 -317,-0.2 4,-0.5 0.851 112.9 46.6 -69.7 -41.4 82.7 2.4 38.6 1245 662 B T H >> S+ 0 0 0 -318,-0.5 4,-1.9 1,-0.2 3,-1.1 0.810 100.4 69.7 -72.8 -28.0 81.7 2.1 42.3 1246 663 B Q H 3X S+ 0 0 49 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.828 89.5 65.4 -55.1 -32.5 81.5 -1.7 41.9 1247 664 B I H S+ 0 0 0 -3,-1.1 4,-2.1 -4,-0.5 5,-0.2 0.926 112.3 52.9 -72.3 -43.7 85.6 -0.3 45.1 1249 666 B Y H X S+ 0 0 2 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.910 112.3 45.3 -55.6 -44.6 83.1 -2.9 46.3 1250 667 B A H X>S+ 0 0 35 -4,-2.9 4,-2.2 1,-0.2 5,-1.1 0.874 108.8 56.4 -68.0 -38.4 85.1 -5.7 44.6 1251 668 B F H <>S+ 0 0 5 -4,-1.8 5,-0.9 -5,-0.2 -1,-0.2 0.875 119.2 32.0 -61.7 -37.3 88.4 -4.3 45.9 1252 669 B V H <5S+ 0 0 0 -4,-2.1 6,-0.9 3,-0.2 5,-0.4 0.930 121.8 45.2 -85.7 -52.6 87.1 -4.6 49.5 1253 670 B R H <5S+ 0 0 5 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.790 131.4 19.2 -63.5 -29.5 84.8 -7.6 49.3 1254 671 B E T <5S+ 0 0 64 -4,-2.2 3,-0.4 -5,-0.3 -3,-0.2 0.835 128.4 35.6-102.8 -76.2 87.3 -9.7 47.3 1255 672 B E T - 0 0 9 -222,-0.1 4,-2.4 2,-0.1 6,-0.3 0.022 15.6-122.2 129.4 124.0 75.8 -11.1 63.1 1264 681 B D T 4>S+ 0 0 51 2,-0.2 5,-1.8 1,-0.2 4,-0.2 0.884 111.7 48.6 -55.4 -44.8 77.5 -12.8 66.0 1265 682 B V T >45S+ 0 0 78 -219,-0.4 3,-2.5 3,-0.2 -1,-0.2 0.990 113.4 44.1 -59.9 -65.0 74.3 -13.7 67.8 1266 683 B F T 345S+ 0 0 112 1,-0.3 -2,-0.2 -220,-0.2 -1,-0.1 0.925 114.8 48.7 -43.8 -61.0 72.4 -15.1 64.8 1267 684 B L T 3<5S- 0 0 68 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.519 106.8-131.2 -61.0 -4.4 75.4 -17.1 63.6 1268 685 B G T < 5S+ 0 0 68 -3,-2.5 2,-0.3 -4,-0.2 -3,-0.2 0.777 75.2 84.9 57.1 27.1 75.8 -18.4 67.2 1269 686 B K S - 0 0 88 -3,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.016 18.6-113.6 -57.2 157.0 85.6 -8.4 65.0 1274 691 B I H >> S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.936 117.9 54.4 -53.3 -49.6 84.3 -5.4 63.1 1275 692 B G H 3> S+ 0 0 35 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.907 100.8 55.4 -53.2 -50.6 87.5 -3.5 64.0 1276 693 B S H 3> S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.841 112.6 46.5 -53.8 -33.1 89.8 -6.2 62.6 1277 694 B N H XX S+ 0 0 20 -4,-1.4 4,-1.6 -3,-0.6 3,-1.0 0.950 110.5 49.0 -74.5 -51.2 88.0 -5.7 59.4 1278 695 B V H 3X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.3 -2,-0.2 0.894 106.7 59.6 -54.9 -39.3 88.0 -1.9 59.4 1279 696 B S H 3X S+ 0 0 49 -4,-3.3 4,-3.2 -5,-0.2 -1,-0.3 0.846 100.3 55.6 -57.8 -35.0 91.7 -2.2 60.1 1280 697 B K H X S+ 0 0 50 -4,-2.9 4,-2.4 1,-0.2 3,-0.7 0.942 108.7 50.6 -59.4 -49.4 92.5 1.3 56.9 1283 700 B E H 3X S+ 0 0 108 -4,-3.2 4,-1.8 1,-0.3 6,-0.3 0.799 106.0 56.8 -60.7 -27.6 95.7 -0.6 56.2 1284 701 B A H 3X>S+ 0 0 6 -4,-1.7 6,-1.7 2,-0.2 5,-1.2 0.807 109.3 46.1 -73.4 -30.0 94.8 -0.6 52.5 1285 702 B I H <<5S+ 0 0 14 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.914 112.5 48.4 -77.4 -46.0 94.7 3.2 52.6 1286 703 B K H <5S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.864 111.9 48.7 -63.4 -38.6 97.9 3.7 54.5 1287 704 B S H <5S- 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.769 110.6-123.0 -72.8 -25.7 99.9 1.4 52.2 1288 705 B G T <5S+ 0 0 22 -4,-0.7 3,-0.5 -5,-0.2 4,-0.4 0.616 73.5 128.8 91.3 15.0 98.5 3.1 49.2 1289 706 B R S >> S+ 0 0 3 -6,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.669 86.7 87.0 -72.4 -15.6 93.7 1.6 47.2 1291 708 B N H 3> S+ 0 0 10 -3,-0.5 4,-2.1 -7,-0.3 3,-0.3 0.895 89.5 43.3 -53.8 -47.9 95.2 4.4 45.2 1292 709 B N H <> S+ 0 0 100 -3,-0.6 4,-2.7 -4,-0.4 -1,-0.2 0.816 110.0 56.2 -71.1 -28.1 95.1 2.7 41.8 1293 710 B V H X S+ 0 0 12 -4,-0.5 4,-1.4 -3,-0.2 -1,-0.2 0.759 108.3 50.5 -73.3 -20.6 91.5 1.4 42.4 1294 711 B L H X S+ 0 0 1 -4,-1.5 4,-1.4 -3,-0.3 5,-0.2 0.929 112.5 44.0 -78.1 -46.8 90.6 5.1 43.0 1295 712 B L H X S+ 0 0 21 -4,-2.1 4,-4.0 1,-0.2 3,-0.3 0.908 111.3 57.4 -61.9 -40.3 92.3 6.2 39.8 1296 713 B K H < S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.2 41.2 -57.5 -45.8 90.7 3.2 38.0 1297 714 B X H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.682 126.1 35.5 -79.5 -17.5 87.1 4.2 39.0 1298 715 B L H < 0 0 2 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.672 360.0 360.0-107.1 -24.3 87.7 7.9 38.3 1299 716 B A < 0 0 77 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.1 0.973 360.0 360.0 -71.5 360.0 90.1 7.7 35.3