==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 05-JUL-99 1QU1 . COMPND 2 MOLECULE: PROTEIN (INFLUENZA RECOMBINANT HA2 CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.CHEN,J.J.SKEHEL,D.C.WILEY . 874 7 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 73.3 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 . 23 2.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 514 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 1 0 4 0 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 6 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 . 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 34 A Q 0 0 187 0, 0.0 139,-0.2 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0-152.9 16.5 17.4 145.5 2 35 A A - 0 0 31 136,-0.2 2,-0.4 132,-0.1 138,-0.2 0.918 360.0-134.2 57.7 106.8 13.1 18.2 144.0 3 36 A A - 0 0 3 136,-2.4 136,-0.2 131,-0.3 -1,-0.1 -0.731 26.3-107.9 -90.8 133.1 13.1 19.4 140.4 4 37 A D > - 0 0 52 -2,-0.4 4,-2.1 1,-0.1 130,-0.2 -0.359 21.9-138.8 -61.2 133.8 10.9 22.4 139.6 5 38 A L H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.976 98.9 52.1 -55.5 -64.1 7.9 21.4 137.5 6 39 A K H > S+ 0 0 165 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.886 114.5 43.1 -38.8 -57.6 7.9 24.4 135.1 7 40 A S H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.856 113.1 51.7 -60.9 -40.4 11.6 23.8 134.3 8 41 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.809 108.1 52.7 -68.5 -29.7 11.2 20.0 134.0 9 42 A Q H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.891 107.5 52.0 -71.8 -38.2 8.3 20.6 131.6 10 43 A A H X S+ 0 0 38 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.863 109.5 48.8 -64.4 -39.6 10.5 22.8 129.5 11 44 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.935 113.0 47.2 -66.1 -47.9 13.2 20.2 129.2 12 45 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.888 113.9 48.8 -60.4 -39.9 10.7 17.5 128.3 13 46 A D H X S+ 0 0 44 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.823 109.6 50.5 -71.8 -31.1 9.2 19.9 125.7 14 47 A Q H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 115.5 45.2 -69.6 -43.1 12.6 20.8 124.2 15 48 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.962 114.2 45.2 -62.8 -55.6 13.3 17.1 124.0 16 49 A N H X S+ 0 0 6 -4,-3.1 4,-2.8 1,-0.2 397,-0.2 0.882 111.1 57.3 -57.9 -38.5 9.9 16.0 122.5 17 50 A G H X S+ 0 0 35 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.973 109.7 41.2 -55.9 -59.6 10.1 19.0 120.1 18 51 A K H X S+ 0 0 29 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.886 112.8 55.8 -57.2 -42.7 13.4 17.9 118.6 19 52 A L H >X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 3,-1.0 0.975 106.6 49.5 -54.9 -55.4 12.3 14.2 118.5 20 53 A N H 3X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.829 106.7 56.1 -55.0 -32.3 9.2 15.1 116.5 21 54 A R H 3X S+ 0 0 119 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.3 0.868 110.5 46.1 -66.7 -33.3 11.4 17.1 114.1 22 55 A V H X S+ 0 0 105 -4,-2.2 4,-1.7 1,-0.2 3,-0.9 0.930 112.3 54.9 -65.6 -48.9 9.8 12.4 104.6 29 62 A K H 3X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.893 104.5 55.0 -54.9 -41.5 13.3 11.5 103.6 30 63 A F H 3X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.803 107.3 49.5 -64.0 -27.6 12.5 7.8 103.4 31 64 A H H S+ 0 0 2 -4,-2.4 5,-2.8 2,-0.2 6,-0.9 0.876 114.2 47.6 -67.1 -37.7 23.0 -10.8 48.6 70 103 A E H ><5S+ 0 0 65 -4,-2.1 3,-2.8 1,-0.2 -2,-0.2 0.947 106.7 58.4 -66.4 -48.4 21.2 -14.1 48.2 71 104 A N H 3<5S+ 0 0 112 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.3 46.0 -52.1 -35.7 18.5 -12.3 46.2 72 105 A Q T 3<5S- 0 0 62 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.210 119.2-112.2 -95.4 20.6 21.0 -11.1 43.7 73 106 A H T < 5S+ 0 0 173 -3,-2.8 -3,-0.2 2,-0.2 -2,-0.1 0.872 83.8 121.7 57.1 42.1 22.5 -14.6 43.5 74 107 A T S - 0 0 63 -2,-0.3 3,-2.0 -3,-0.1 6,-0.3 -0.975 11.9-153.2-124.1 110.4 23.2 -19.1 48.8 77 110 A L T 3 S+ 0 0 5 -2,-0.5 9,-0.1 1,-0.3 -1,-0.1 0.505 93.4 60.4 -63.8 -6.2 22.0 -19.1 52.4 78 111 A T T 3 S+ 0 0 105 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.568 77.2 106.7 -97.3 -12.4 21.8 -22.9 52.5 79 112 A D S <> S- 0 0 76 -3,-2.0 4,-3.3 1,-0.1 5,-0.3 -0.429 85.8-112.4 -62.3 141.1 25.5 -23.4 51.7 80 113 A S H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.888 111.4 40.7 -43.0 -62.0 27.1 -24.6 55.0 81 114 A E H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.908 119.8 45.0 -58.1 -46.2 29.3 -21.5 55.8 82 115 A M H > S+ 0 0 3 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.861 108.7 57.0 -66.5 -36.4 26.6 -19.0 54.8 83 116 A N H X S+ 0 0 59 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.819 100.6 58.2 -66.8 -29.2 23.9 -20.9 56.6 84 117 A K H X S+ 0 0 147 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.927 109.4 44.4 -64.9 -42.3 26.0 -20.6 59.9 85 118 A L H X S+ 0 0 3 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.942 113.6 50.3 -65.5 -45.6 25.9 -16.9 59.5 86 119 A F H X S+ 0 0 52 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 109.5 51.2 -60.1 -41.0 22.2 -17.0 58.6 87 120 A E H X S+ 0 0 52 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.851 104.0 57.7 -67.2 -33.1 21.4 -19.2 61.7 88 121 A K H X S+ 0 0 66 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.929 108.7 46.7 -62.6 -39.3 23.3 -16.7 63.9 89 122 A T H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.910 112.1 49.0 -69.4 -38.4 20.9 -14.0 62.8 90 123 A R H < S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.922 109.3 53.8 -65.0 -41.9 17.8 -16.1 63.2 91 124 A R H < S+ 0 0 199 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 112.5 43.1 -59.8 -37.6 19.0 -17.1 66.7 92 125 A Q H < 0 0 49 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 360.0 360.0 -78.5 -32.9 19.3 -13.5 67.7 93 126 A L < 0 0 90 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.436 360.0 360.0 -88.2 360.0 16.1 -12.5 66.1 94 ! 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 95 136 A G 0 0 63 0, 0.0 2,-2.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 37.5 8.8 -4.9 58.5 96 137 A S + 0 0 118 1,-0.2 3,-0.0 2,-0.2 0, 0.0 -0.147 360.0 13.1 70.7 -46.1 10.4 -8.0 57.0 97 138 A F S S+ 0 0 46 -2,-2.8 2,-0.5 -34,-0.0 -1,-0.2 -0.118 112.1 100.5-147.2 30.6 13.5 -6.9 58.8 98 139 A K - 0 0 135 -38,-0.0 2,-0.5 -37,-0.0 -2,-0.2 -0.982 48.4-169.7-127.8 120.3 12.0 -4.3 61.1 99 140 A I - 0 0 76 -2,-0.5 -39,-0.0 -4,-0.1 -42,-0.0 -0.917 32.6-110.1-107.7 131.8 11.2 -5.1 64.7 100 141 A Y - 0 0 176 -2,-0.5 2,-0.2 1,-0.1 -1,-0.0 -0.315 38.4-105.9 -63.6 140.4 9.2 -2.6 66.7 101 142 A H - 0 0 105 1,-0.1 -1,-0.1 2,-0.1 -51,-0.1 -0.438 19.3-161.9 -70.7 138.6 11.1 -0.7 69.4 102 143 A K S S+ 0 0 101 -53,-0.4 2,-0.7 1,-0.2 -52,-0.1 0.632 84.4 65.2 -88.8 -19.4 10.5 -1.6 73.0 103 144 A a S S- 0 0 1 -54,-0.3 -1,-0.2 -53,-0.1 -2,-0.1 -0.899 79.9-161.0-107.9 103.6 12.1 1.8 74.0 104 145 A D > - 0 0 98 -2,-0.7 4,-3.0 -3,-0.1 5,-0.2 0.004 38.1 -82.3 -75.3-177.4 9.9 4.6 72.8 105 146 A N H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.889 131.7 45.7 -53.8 -43.9 10.7 8.3 72.2 106 147 A A H > S+ 0 0 59 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.910 111.0 53.1 -66.9 -42.6 10.1 9.2 75.9 107 148 A a H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.947 112.2 45.8 -56.3 -48.7 12.2 6.1 77.0 108 149 A I H X S+ 0 0 40 -4,-3.0 4,-1.3 1,-0.2 5,-0.2 0.897 111.8 51.4 -62.3 -41.3 15.0 7.4 74.8 109 150 A E H X>S+ 0 0 105 -4,-2.4 4,-3.0 -5,-0.2 5,-0.7 0.925 110.2 50.4 -61.5 -45.1 14.7 10.9 76.1 110 151 A S H X5S+ 0 0 29 -4,-2.9 4,-1.5 3,-0.2 -2,-0.2 0.906 109.2 47.5 -62.3 -46.8 14.9 9.7 79.6 111 152 A I H <5S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.768 121.3 38.3 -70.8 -21.3 18.0 7.6 79.3 112 153 A R H <5S+ 0 0 67 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.900 140.4 3.8 -91.0 -47.3 19.9 10.3 77.5 113 154 A N H <5S+ 0 0 96 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.414 87.3 134.5-119.6 -4.8 18.7 13.5 79.3 114 155 A G << - 0 0 21 -4,-1.5 2,-0.2 -5,-0.7 -4,-0.1 -0.253 38.4-155.6 -54.4 133.1 16.5 12.3 82.1 115 156 A T - 0 0 117 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.492 9.5-121.9-102.3 175.8 17.2 14.0 85.5 116 157 A Y - 0 0 44 -2,-0.2 2,-1.5 2,-0.1 -80,-0.1 -0.885 15.4-121.9-125.5 155.0 16.5 12.8 89.0 117 158 A D + 0 0 85 -2,-0.3 2,-0.9 -85,-0.1 -81,-0.2 -0.720 45.5 176.7 -92.4 81.7 14.5 13.9 92.1 118 159 A H - 0 0 62 -2,-1.5 2,-0.3 -82,-0.1 -85,-0.1 -0.797 14.3-156.8 -96.2 93.0 17.7 13.9 94.2 119 160 A D - 0 0 37 -2,-0.9 2,-0.6 -87,-0.1 -2,-0.0 -0.551 3.5-152.8 -76.2 132.9 16.9 15.1 97.7 120 161 A V - 0 0 92 -2,-0.3 47,-0.1 50,-0.0 -1,-0.0 -0.933 24.8-124.3-106.8 111.6 19.7 16.6 99.8 121 162 A Y - 0 0 14 -2,-0.6 2,-0.8 45,-0.1 -96,-0.0 -0.276 12.8-131.7 -58.8 137.2 18.9 16.1 103.5 122 163 A R - 0 0 210 -97,-0.1 -1,-0.1 1,-0.0 41,-0.0 -0.842 32.2-118.3 -92.3 108.5 18.9 19.2 105.6 123 164 A D - 0 0 92 -2,-0.8 2,-0.3 1,-0.1 37,-0.1 -0.190 21.2-133.3 -51.1 126.8 21.1 18.3 108.6 124 165 A E - 0 0 6 35,-0.3 2,-0.1 1,-0.1 39,-0.1 -0.663 25.4-117.5 -82.0 138.8 19.2 18.4 111.9 125 166 A A - 0 0 63 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.454 30.2-102.6 -75.9 147.8 21.1 20.3 114.6 126 167 A L - 0 0 87 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.401 41.3-109.2 -66.9 147.4 22.1 18.5 117.8 127 168 A N - 0 0 14 25,-0.2 29,-0.1 -3,-0.1 -1,-0.1 -0.689 31.7-125.1 -84.9 126.8 19.9 19.2 120.8 128 169 A N - 0 0 127 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 -0.205 32.4 -94.1 -65.0 157.0 21.5 21.4 123.5 129 170 A R - 0 0 130 1,-0.0 2,-0.6 24,-0.0 -1,-0.1 -0.553 35.6-139.3 -74.4 131.2 21.6 20.2 127.1 130 171 A F - 0 0 55 -2,-0.3 2,-0.9 15,-0.1 18,-0.1 -0.846 7.4-148.0 -96.1 122.1 18.7 21.5 129.1 131 172 A Q - 0 0 130 -2,-0.6 2,-0.3 -120,-0.0 -2,-0.0 -0.772 13.7-148.3 -89.1 103.3 19.7 22.5 132.6 132 173 A I - 0 0 6 -2,-0.9 13,-0.1 1,-0.1 -124,-0.1 -0.599 3.4-146.3 -74.8 130.0 16.7 21.9 134.8 133 174 A K 0 0 169 -2,-0.3 -1,-0.1 -129,-0.1 8,-0.0 0.944 360.0 360.0 -61.3 -57.5 16.5 24.4 137.7 134 175 A G 0 0 47 -130,-0.2 -131,-0.3 7,-0.1 -132,-0.1 0.134 360.0 360.0 85.8 360.0 15.0 22.3 140.5 135 !* 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 0.0 136 33 B G 0 0 72 0, 0.0 148,-0.5 0, 0.0 147,-0.4 0.000 360.0 360.0 360.0 104.2 3.4 11.0 146.3 137 34 B Q - 0 0 137 145,-0.1 146,-0.8 146,-0.1 2,-0.3 0.470 360.0-106.2 54.6 158.2 7.0 12.1 146.5 138 35 B A B -A 282 0A 42 144,-0.2 2,-0.3 145,-0.1 144,-0.2 -0.848 37.4 -97.1-114.8 152.7 8.7 14.7 144.3 139 36 B A - 0 0 0 142,-3.1 -136,-2.4 -2,-0.3 2,-0.2 -0.538 40.0-118.8 -72.1 128.8 11.2 14.0 141.5 140 37 B D > - 0 0 20 137,-0.5 4,-2.2 -2,-0.3 5,-0.2 -0.483 17.0-136.4 -67.6 135.0 14.8 14.3 142.6 141 38 B L H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 99.4 46.4 -59.1 -52.1 16.6 17.0 140.7 142 39 B K H > S+ 0 0 174 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.828 113.3 49.5 -63.5 -32.1 19.9 15.2 140.0 143 40 B S H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.1 -1,-0.2 0.934 111.7 48.7 -72.3 -43.8 18.1 12.0 138.9 144 41 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.957 109.5 50.3 -59.8 -52.3 15.8 13.9 136.5 145 42 B Q H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 111.9 51.9 -52.5 -38.1 18.7 15.8 134.9 146 43 B A H X S+ 0 0 35 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.943 109.6 46.0 -62.7 -52.6 20.4 12.4 134.5 147 44 B A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.813 115.3 48.9 -61.6 -32.2 17.3 10.8 132.8 148 45 B I H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.880 111.6 46.2 -76.3 -41.9 17.0 13.9 130.6 149 46 B D H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.859 110.7 56.3 -67.4 -35.0 20.7 14.0 129.5 150 47 B Q H X S+ 0 0 55 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.908 111.5 41.3 -62.8 -43.2 20.5 10.2 128.9 151 48 B I H X S+ 0 0 4 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.948 115.2 50.5 -68.6 -49.6 17.6 10.7 126.5 152 49 B N H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -25,-0.2 0.842 107.9 54.9 -58.8 -33.6 19.2 13.7 124.9 153 50 B G H X S+ 0 0 37 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.914 110.7 43.6 -66.9 -42.5 22.4 11.8 124.5 154 51 B K H X S+ 0 0 22 -4,-1.6 4,-2.1 2,-0.2 3,-0.2 0.932 113.3 51.8 -68.5 -44.3 20.7 9.0 122.6 155 52 B L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.888 108.7 50.4 -59.3 -41.7 18.7 11.4 120.5 156 53 B N H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.812 107.6 53.9 -67.4 -29.9 21.8 13.3 119.5 157 54 B R H X S+ 0 0 124 -4,-1.3 4,-2.5 -3,-0.2 -1,-0.2 0.914 110.9 47.1 -67.4 -41.1 23.5 10.1 118.5 158 55 B V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.874 110.7 51.6 -67.0 -38.8 20.5 9.4 116.3 159 56 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -35,-0.3 0.939 113.7 43.1 -64.5 -46.1 20.5 12.8 114.8 160 57 B E H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.902 115.6 48.1 -67.9 -40.7 24.2 12.6 113.9 161 58 B K H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.853 114.3 44.5 -71.1 -33.5 24.0 9.1 112.6 162 59 B T H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.930 111.6 54.6 -74.1 -42.3 20.9 9.7 110.4 163 60 B N H X S+ 0 0 15 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.918 115.2 40.8 -50.7 -49.3 22.4 13.0 109.2 164 61 B E H X S+ 0 0 98 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.909 113.4 51.2 -69.1 -46.3 25.5 11.1 108.1 165 62 B K H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 3,-0.4 0.945 106.7 54.4 -59.8 -47.8 23.8 8.0 106.7 166 63 B F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.865 108.0 50.2 -57.1 -33.4 21.5 10.2 104.5 167 64 B H H X S+ 0 0 68 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.3 0.851 110.5 49.6 -72.7 -30.6 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-2,-0.2 0.801 108.0 51.1 -56.6 -29.2 -10.5 -12.2 155.1 504 105 D Q T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.278 118.2-115.9 -91.8 11.0 -7.9 -10.7 152.8 505 106 D H T < 5S+ 0 0 178 -3,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.870 84.5 118.6 55.5 40.2 -6.4 -14.2 152.2 506 107 D T S - 0 0 62 -2,-0.3 3,-2.0 -3,-0.1 6,-0.2 -0.975 12.5-152.6-123.2 110.0 -5.4 -19.0 157.5 509 110 D L T 3 S+ 0 0 6 -2,-0.5 9,-0.1 1,-0.3 -1,-0.1 0.543 94.0 59.1 -63.4 -6.9 -6.5 -19.0 161.1 510 111 D T T 3 S+ 0 0 106 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.566 79.3 106.3 -96.9 -11.0 -6.7 -22.8 161.1 511 112 D D S <> S- 0 0 75 -3,-2.0 4,-2.8 1,-0.1 5,-0.2 -0.409 86.4-108.3 -63.9 144.7 -3.0 -23.1 160.2 512 113 D S H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.866 111.5 37.5 -45.6 -59.5 -1.0 -24.2 163.3 513 114 D E H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.934 119.3 48.7 -63.4 -44.7 0.9 -21.1 164.2 514 115 D M H > S+ 0 0 2 -6,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.852 107.0 56.4 -63.5 -34.8 -1.9 -18.8 163.4 515 116 D N H X S+ 0 0 61 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.874 103.5 54.1 -66.8 -34.5 -4.4 -20.9 165.3 516 117 D K H X S+ 0 0 127 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.888 110.6 46.6 -64.4 -38.6 -2.3 -20.5 168.5 517 118 D L H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.955 112.6 49.4 -66.9 -47.4 -2.4 -16.8 168.1 518 119 D F H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.896 110.7 51.1 -58.2 -39.9 -6.2 -16.9 167.4 519 120 D E H X S+ 0 0 74 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.840 104.3 57.1 -67.5 -34.2 -6.6 -19.1 170.6 520 121 D K H X S+ 0 0 60 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.928 109.0 45.9 -62.5 -42.1 -4.6 -16.6 172.7 521 122 D T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 112.7 51.0 -66.6 -41.0 -7.0 -13.9 171.8 522 123 D R H <>S+ 0 0 59 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.933 114.3 43.2 -60.9 -46.3 -10.0 -16.2 172.4 523 124 D R H <5S+ 0 0 163 -4,-2.9 3,-0.4 3,-0.2 -1,-0.2 0.862 113.8 49.9 -68.0 -39.0 -8.7 -17.1 175.9 524 125 D Q H <5S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.5 41.9 -69.8 -35.5 -7.7 -13.6 176.8 525 126 D L T <5S- 0 0 11 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.466 103.8-131.9 -86.6 -1.2 -11.1 -12.3 175.8 526 127 D R T 5 + 0 0 173 -3,-0.4 2,-0.3 -4,-0.3 -3,-0.2 0.924 70.0 120.1 47.7 44.7 -12.8 -15.2 177.4 527 128 D E < - 0 0 22 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.945 60.2-131.9-135.0 159.6 -14.7 -15.4 174.0 528 129 D N > - 0 0 57 -2,-0.3 4,-2.0 -3,-0.1 3,-0.2 -0.606 39.7 -97.8-104.0 166.8 -15.2 -17.9 171.2 529 130 D A H > S+ 0 0 47 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.811 123.0 54.7 -54.5 -33.6 -14.9 -17.0 167.5 530 131 D E H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.923 107.3 47.9 -67.7 -46.2 -18.7 -16.7 167.2 531 132 D E H > S+ 0 0 92 -3,-0.2 4,-1.8 1,-0.2 6,-0.3 0.867 113.0 50.2 -62.8 -37.2 -18.9 -14.1 170.0 532 133 D M H <>S+ 0 0 2 -4,-2.0 5,-2.0 2,-0.2 4,-0.2 0.914 115.4 40.9 -68.1 -44.9 -16.0 -12.1 168.5 533 134 D G H ><5S+ 0 0 39 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.951 116.8 46.9 -67.8 -52.7 -17.5 -12.0 165.0 534 135 D N H 3<5S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 115.5 46.5 -58.0 -39.9 -21.1 -11.4 166.0 535 136 D G T ><5S- 0 0 38 -4,-1.8 3,-1.2 -5,-0.3 -1,-0.2 0.432 107.2-125.7 -85.3 1.2 -20.1 -8.6 168.4 536 137 D S T < 5 - 0 0 76 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.816 59.2 -70.6 59.0 32.1 -17.8 -7.0 165.9 537 138 D F T 3 - 0 0 102 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.062 40.1 -84.7 -75.8-178.0 -17.9 4.9 181.9 545 146 D N H > S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.827 130.3 50.9 -60.1 -33.9 -16.9 8.5 181.4 546 147 D A H > S+ 0 0 69 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.923 110.8 49.7 -67.6 -44.6 -17.5 9.4 185.0 547 148 D d H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 112.2 47.6 -58.1 -48.9 -15.4 6.5 186.1 548 149 D I H X S+ 0 0 32 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.936 112.2 50.1 -58.2 -48.0 -12.6 7.6 183.7 549 150 D E H X S+ 0 0 104 -4,-2.6 4,-3.5 1,-0.2 3,-0.4 0.923 111.3 49.3 -57.0 -47.5 -12.9 11.2 185.0 550 151 D S H X S+ 0 0 31 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.923 108.5 49.6 -61.2 -48.7 -12.7 10.1 188.6 551 152 D I H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.729 121.1 39.5 -66.5 -16.9 -9.6 7.8 188.2 552 153 D R H < S+ 0 0 54 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.902 138.7 4.2 -92.2 -53.0 -8.0 10.8 186.5 553 154 D N H < S+ 0 0 99 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.227 83.6 139.8-120.9 9.9 -9.1 13.8 188.4 554 155 D G < - 0 0 24 -4,-2.6 2,-0.2 -5,-0.4 -4,-0.1 -0.313 37.1-149.9 -61.8 138.9 -11.1 12.6 191.4 555 156 D T - 0 0 125 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.530 10.0-131.0 -99.2 175.2 -10.6 14.5 194.7 556 157 D Y - 0 0 39 -2,-0.2 2,-1.7 2,-0.1 -88,-0.1 -0.938 17.7-119.5-129.4 150.2 -10.9 13.0 198.1 557 158 D D + 0 0 88 -2,-0.3 2,-0.9 -90,-0.1 -86,-0.1 -0.694 45.9 178.2 -87.9 84.9 -12.7 14.0 201.3 558 159 D H - 0 0 62 -2,-1.7 2,-0.2 -90,-0.1 -93,-0.1 -0.807 13.6-155.7 -97.3 94.6 -9.3 14.2 203.2 559 160 D D - 0 0 43 -2,-0.9 2,-0.6 -95,-0.1 -2,-0.0 -0.514 3.3-155.3 -75.1 136.3 -10.0 15.3 206.8 560 161 D V - 0 0 87 -2,-0.2 50,-0.1 53,-0.0 -1,-0.0 -0.957 23.1-127.5-114.7 111.8 -7.1 16.9 208.6 561 162 D Y - 0 0 15 -2,-0.6 2,-0.7 48,-0.1 -104,-0.0 -0.255 11.3-129.0 -59.7 140.8 -7.6 16.5 212.4 562 163 D R - 0 0 194 -105,-0.1 -1,-0.1 1,-0.0 -105,-0.0 -0.837 32.8-116.8 -94.2 111.9 -7.5 19.5 214.6 563 164 D D - 0 0 97 -2,-0.7 2,-0.5 1,-0.1 40,-0.1 -0.135 22.6-133.7 -49.4 138.1 -5.0 18.8 217.4 564 165 D E - 0 0 4 38,-0.2 42,-0.1 1,-0.0 -1,-0.1 -0.859 22.7-121.3 -96.9 131.2 -6.6 18.7 220.9 565 166 D A - 0 0 68 -2,-0.5 3,-0.0 1,-0.1 37,-0.0 -0.367 32.1-100.2 -69.5 150.1 -4.6 20.6 223.5 566 167 D L - 0 0 93 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.290 42.7-104.0 -65.7 158.7 -3.5 18.8 226.6 567 168 D N - 0 0 11 28,-0.3 32,-0.1 -3,-0.1 -1,-0.1 -0.763 33.2-127.9 -90.7 129.5 -5.6 19.3 229.7 568 169 D N - 0 0 140 -2,-0.5 2,-0.4 1,-0.1 -1,-0.0 -0.266 29.8 -97.6 -69.7 158.7 -4.1 21.6 232.4 569 170 D R - 0 0 125 1,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.661 34.2-143.8 -80.5 127.1 -3.8 20.4 236.0 570 171 D F - 0 0 62 -2,-0.4 2,-0.9 18,-0.1 21,-0.1 -0.825 9.8-139.7 -93.8 125.1 -6.7 21.7 238.1 571 172 D Q - 0 0 112 -2,-0.5 2,-0.1 -128,-0.0 -2,-0.0 -0.759 16.3-145.3 -90.2 106.0 -5.7 22.7 241.6 572 173 D I - 0 0 11 -2,-0.9 2,-0.3 12,-0.1 16,-0.1 -0.416 13.5-127.3 -69.8 140.2 -8.4 21.5 244.1 573 174 D K - 0 0 150 -137,-0.2 -137,-3.0 -2,-0.1 2,-0.2 -0.657 21.2-142.1 -89.1 142.7 -9.0 23.7 247.1 574 175 D G E -C 435 0C 24 -2,-0.3 2,-0.4 -139,-0.2 -139,-0.2 -0.588 5.5-148.9-101.7 165.8 -8.9 22.2 250.6 575 176 D V E -C 434 0C 17 -141,-2.6 -141,-2.9 -2,-0.2 2,-0.7 -0.990 20.6-120.3-133.3 142.2 -11.0 22.9 253.7 576 177 D E 0 0 155 -2,-0.4 -143,-0.1 299,-0.2 154,-0.0 -0.747 360.0 360.0 -83.1 116.6 -10.0 22.7 257.3 577 178 D L 0 0 74 -2,-0.7 298,-0.2 -145,-0.2 297,-0.1 -0.630 360.0 360.0 -79.0 360.0 -12.3 20.1 259.0 578 !* 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 0.0 579 33 E G 0 0 97 0, 0.0 294,-0.3 0, 0.0 293,-0.2 0.000 360.0 360.0 360.0 47.7 -19.4 9.6 256.3 580 34 E Q - 0 0 94 1,-0.1 153,-2.6 152,-0.1 154,-0.4 -0.332 360.0-119.1 -69.9 149.8 -15.7 10.3 256.0 581 35 E A B -F 732 0E 1 151,-0.2 141,-3.2 152,-0.1 2,-0.3 -0.649 31.0-104.9 -88.7 145.0 -14.4 13.4 254.1 582 36 E A B -G 721 0F 0 149,-2.7 -147,-2.8 -2,-0.3 139,-0.2 -0.516 36.5-117.2 -70.6 129.5 -12.1 13.0 251.0 583 37 E D B > -D 434 0C 10 137,-2.8 4,-2.2 -2,-0.3 -149,-0.2 -0.441 18.2-136.0 -66.0 136.7 -8.5 13.8 251.8 584 38 E L H > S+ 0 0 23 -151,-2.3 4,-2.6 2,-0.2 5,-0.3 0.973 99.5 45.4 -58.5 -60.2 -7.3 16.8 249.8 585 39 E K H > S+ 0 0 149 -152,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.895 115.4 47.9 -50.8 -46.1 -3.9 15.5 248.7 586 40 E S H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 110.9 49.9 -65.7 -41.4 -5.3 12.1 247.7 587 41 E T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 111.1 49.3 -65.0 -40.6 -8.2 13.5 245.8 588 42 E Q H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.871 110.9 52.2 -63.3 -36.6 -5.8 15.8 243.9 589 43 E A H X S+ 0 0 34 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.898 108.0 49.4 -65.0 -44.4 -3.7 12.7 243.3 590 44 E A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.890 113.8 47.0 -63.9 -39.5 -6.6 10.7 241.9 591 45 E I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.894 111.3 50.0 -68.9 -42.6 -7.5 13.6 239.6 592 46 E D H X S+ 0 0 44 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.846 108.8 53.6 -65.9 -32.7 -3.8 14.1 238.4 593 47 E Q H X S+ 0 0 49 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.922 112.0 43.3 -68.2 -42.7 -3.7 10.4 237.7 594 48 E I H X S+ 0 0 4 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.928 114.4 51.8 -66.4 -43.1 -6.8 10.5 235.5 595 49 E N H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -28,-0.3 0.857 107.3 51.8 -61.2 -39.1 -5.5 13.7 233.9 596 50 E G H X S+ 0 0 37 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.891 111.9 46.1 -66.1 -41.1 -2.2 12.2 233.0 597 51 E K H X S+ 0 0 25 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.948 111.7 51.4 -67.9 -45.7 -3.7 9.3 231.3 598 52 E L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.915 109.4 51.7 -56.4 -41.8 -6.2 11.5 229.4 599 53 E N H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.829 106.7 51.6 -66.3 -31.9 -3.3 13.6 228.2 600 54 E R H X S+ 0 0 134 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.911 110.6 50.6 -68.9 -38.5 -1.4 10.6 227.0 601 55 E V H X S+ 0 0 1 -4,-2.3 4,-2.5 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