==== 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 DNA BINDING PROTEIN/DNA 12-DEC-06 2O8D . COMPND 2 MOLECULE: 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.J.WARREN,T.J.POHLHAUS,A.CHANGELA,P.L.MODRICH,L.S.BEESE . 1761 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 82583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1185 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 126 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 580 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.8 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 2 4 4 5 5 4 4 3 5 3 1 5 1 3 0 0 1 0 0 1 0 1 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 5 3 3 5 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 1 8 4 5 2 0 3 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 4 3 2 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 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 M 0 0 15 0, 0.0 59,-0.1 0, 0.0 947,-0.1 0.000 360.0 360.0 360.0 12.8 -56.9 29.8 30.1 2 2 A A - 0 0 18 919,-0.3 920,-0.1 942,-0.1 921,-0.0 0.599 360.0 -78.7 78.9 118.2 -54.5 32.5 28.9 3 3 A V - 0 0 7 918,-0.3 78,-0.2 1,-0.1 81,-0.2 -0.225 50.3-120.2 -48.3 125.8 -56.3 35.7 28.2 4 4 A Q - 0 0 54 939,-0.3 -1,-0.1 1,-0.1 76,-0.1 -0.512 36.5-104.0 -69.6 141.9 -58.1 35.5 24.9 5 5 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 74,-0.1 -0.138 11.6-134.0 -65.9 162.2 -56.9 38.2 22.4 6 6 A K S S+ 0 0 154 2,-0.0 -2,-0.0 937,-0.0 2,-0.0 0.788 78.2 92.7 -82.6 -33.4 -58.8 41.3 21.5 7 7 A E - 0 0 49 34,-0.1 2,-0.4 1,-0.0 72,-0.1 -0.264 55.0-164.6 -68.9 145.8 -58.2 40.9 17.8 8 8 A T - 0 0 83 2,-0.0 2,-0.6 34,-0.0 -2,-0.0 -0.956 30.9-110.5-124.5 145.1 -60.5 39.1 15.3 9 9 A L + 0 0 45 -2,-0.4 2,-0.5 68,-0.0 70,-0.0 -0.690 41.6 179.2 -78.4 118.9 -59.4 38.1 11.8 10 10 A Q + 0 0 159 -2,-0.6 2,-0.2 6,-0.0 -2,-0.0 -0.892 11.4 148.7-129.5 104.4 -61.2 40.3 9.3 11 11 A L - 0 0 50 -2,-0.5 -2,-0.0 1,-0.2 5,-0.0 -0.677 45.8 -89.2-120.8 176.6 -60.6 39.9 5.6 12 12 A E > - 0 0 107 -2,-0.2 4,-1.1 1,-0.1 -1,-0.2 -0.016 45.7 -94.9 -75.4-175.5 -62.7 40.4 2.5 13 13 A S H > S+ 0 0 106 2,-0.2 4,-1.3 1,-0.2 55,-0.1 0.931 126.5 30.0 -69.4 -45.9 -64.9 37.8 0.8 14 14 A A H > S+ 0 0 66 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.771 114.2 61.7 -84.1 -29.1 -62.3 36.8 -1.7 15 15 A A H > S+ 0 0 10 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.817 106.4 48.4 -65.5 -31.2 -59.3 37.6 0.6 16 16 A E H X S+ 0 0 33 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.956 113.9 45.5 -69.7 -51.9 -60.7 34.9 3.0 17 17 A V H X S+ 0 0 50 -4,-1.3 4,-2.2 1,-0.2 5,-0.3 0.890 104.7 62.9 -57.8 -45.9 -61.1 32.4 0.1 18 18 A G H X S+ 0 0 32 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.916 107.9 41.9 -45.1 -55.5 -57.6 33.2 -1.3 19 19 A F H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.866 109.2 58.9 -62.5 -42.8 -56.0 31.9 1.9 20 20 A V H X S+ 0 0 13 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.944 109.7 42.2 -53.8 -54.7 -58.3 28.9 2.3 21 21 A R H X S+ 0 0 172 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.819 112.9 55.5 -62.8 -33.1 -57.3 27.4 -1.1 22 22 A F H < S+ 0 0 66 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.941 106.1 50.4 -62.5 -48.6 -53.7 28.3 -0.4 23 23 A F H >< S+ 0 0 40 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.780 106.6 55.1 -61.4 -32.0 -53.7 26.3 2.8 24 24 A Q H 3< S+ 0 0 122 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 110.5 46.6 -66.5 -41.3 -55.2 23.3 1.1 25 25 A G T 3< S+ 0 0 68 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.210 82.6 119.4 -89.5 12.9 -52.3 23.3 -1.4 26 26 A M S < S- 0 0 18 -3,-0.7 3,-0.1 1,-0.1 -3,-0.0 -0.537 81.9 -80.9 -75.8 146.7 -49.4 23.7 1.0 27 27 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.163 66.4 -80.6 -46.7 137.7 -46.8 20.9 1.1 28 28 A E - 0 0 197 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.087 52.1-141.0 -47.2 136.3 -48.1 17.9 3.1 29 29 A K - 0 0 51 -3,-0.1 -1,-0.1 4,-0.0 6,-0.0 -0.904 4.8-126.5-114.4 127.8 -47.6 18.5 6.8 30 30 A P > - 0 0 65 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 -0.320 23.9-122.2 -64.0 149.1 -46.5 16.0 9.6 31 31 A T T 3 S+ 0 0 125 1,-0.3 -2,-0.0 3,-0.0 67,-0.0 0.736 110.6 62.4 -64.3 -22.0 -48.7 15.7 12.6 32 32 A T T 3 S+ 0 0 46 66,-0.1 67,-2.0 2,-0.0 2,-0.3 0.293 92.8 76.5 -88.4 7.9 -45.7 16.6 14.8 33 33 A T E < -a 99 0A 3 -3,-1.6 2,-0.4 65,-0.2 67,-0.2 -0.861 65.1-152.1-115.8 156.2 -45.2 20.1 13.2 34 34 A V E -a 100 0A 0 65,-1.8 67,-2.5 -2,-0.3 2,-0.6 -0.996 5.6-151.0-129.4 128.9 -47.3 23.2 13.9 35 35 A R E -a 101 0A 17 -2,-0.4 11,-0.6 11,-0.2 2,-0.4 -0.891 14.6-175.9-104.9 121.0 -47.9 26.0 11.3 36 36 A L E -aB 102 45A 0 65,-3.4 67,-2.6 -2,-0.6 2,-0.5 -0.896 12.5-147.2-114.9 143.9 -48.4 29.5 12.6 37 37 A F E -aB 103 44A 0 7,-2.7 7,-2.0 -2,-0.4 2,-0.3 -0.948 9.6-138.3-118.1 124.4 -49.2 32.6 10.4 38 38 A D E + B 0 43A 27 65,-2.4 67,-0.2 -2,-0.5 5,-0.2 -0.604 24.7 171.2 -76.9 131.2 -48.1 36.1 11.3 39 39 A R - 0 0 51 3,-2.5 2,-0.6 -2,-0.3 4,-0.2 0.340 52.7-101.5-121.7 1.7 -50.9 38.7 10.6 40 40 A G S S+ 0 0 51 2,-0.6 -1,-0.1 1,-0.1 3,-0.0 -0.840 109.0 26.4 117.3 -94.0 -49.3 41.8 12.2 41 41 A D S S+ 0 0 114 -2,-0.6 41,-0.6 -3,-0.1 2,-0.2 0.704 133.7 17.0 -76.8 -19.6 -50.7 42.6 15.6 42 42 A F E S- C 0 81A 23 39,-0.2 -3,-2.5 40,-0.1 -2,-0.6 -0.828 71.5-121.5-142.8 177.5 -51.6 38.9 16.1 43 43 A Y E -BC 38 80A 40 37,-3.7 37,-3.0 -2,-0.2 2,-0.3 -0.793 20.0-151.1-120.4 164.7 -50.9 35.3 14.9 44 44 A T E -BC 37 79A 0 -7,-2.0 -7,-2.7 -2,-0.3 2,-0.3 -0.996 4.8-160.9-142.8 145.5 -53.3 32.7 13.5 45 45 A A E -BC 36 78A 0 33,-2.2 33,-2.1 -2,-0.3 2,-0.3 -0.915 15.4-164.3-121.5 150.7 -53.5 28.9 13.4 46 46 A H E > - C 0 77A 1 -11,-0.6 3,-1.5 -2,-0.3 4,-0.4 -0.922 41.8 -13.5-138.0 161.6 -55.5 26.7 11.1 47 47 A G T 3> S+ 0 0 9 29,-1.2 4,-1.6 -2,-0.3 3,-0.3 -0.281 127.3 2.0 57.6-125.9 -56.9 23.2 10.5 48 48 A E H 3> S+ 0 0 143 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.832 137.8 50.9 -61.4 -36.0 -55.4 20.5 12.8 49 49 A D H <> S+ 0 0 6 -3,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.739 103.5 57.8 -75.7 -26.5 -53.2 23.1 14.5 50 50 A A H > S+ 0 0 0 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.902 108.2 47.9 -67.6 -41.2 -56.2 25.4 15.2 51 51 A L H X S+ 0 0 39 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.846 112.7 48.7 -65.5 -36.6 -57.7 22.5 17.0 52 52 A L H X S+ 0 0 9 -4,-1.3 4,-2.9 2,-0.2 5,-0.4 0.935 112.2 47.2 -69.3 -47.5 -54.4 21.9 18.9 53 53 A A H X>S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 5,-1.4 0.845 111.8 53.1 -61.9 -34.7 -54.2 25.6 19.9 54 54 A A H <>S+ 0 0 0 -4,-2.1 6,-1.6 3,-0.2 5,-0.9 0.921 116.1 37.1 -67.0 -45.6 -57.8 25.5 21.0 55 55 A R H <5S+ 0 0 94 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.836 128.0 33.8 -76.7 -33.8 -57.3 22.5 23.3 56 56 A E H <5S+ 0 0 65 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.917 126.5 30.2 -90.3 -49.3 -53.8 23.4 24.6 57 57 A V T <5S+ 0 0 14 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.985 136.7 16.6 -77.4 -58.6 -53.7 27.2 24.7 58 58 A F T S+ 0 0 112 946,-0.9 3,-1.0 -2,-0.3 947,-0.1 0.344 87.2 89.7-102.6 6.3 -63.3 25.1 21.2 62 62 A G T 3 S+ 0 0 51 945,-0.4 -1,-0.1 1,-0.2 945,-0.1 0.830 77.3 65.9 -66.9 -32.6 -65.3 28.3 21.4 63 63 A V T 3 S+ 0 0 19 -3,-0.2 16,-0.5 -9,-0.1 2,-0.3 0.594 79.8 105.2 -65.2 -13.9 -62.2 30.2 20.1 64 64 A I < - 0 0 13 -3,-1.0 2,-0.3 14,-0.1 14,-0.2 -0.546 51.6-170.1 -74.7 131.1 -62.5 28.3 16.8 65 65 A K E -D 77 0A 132 12,-3.1 12,-1.5 -2,-0.3 2,-0.5 -0.766 16.0-130.6-113.2 163.8 -63.7 30.3 13.8 66 66 A Y E -D 76 0A 121 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.970 24.4-177.2-121.9 124.8 -64.7 29.0 10.4 67 67 A M E +D 75 0A 11 8,-2.4 8,-2.0 -2,-0.5 7,-0.6 -0.883 28.1 85.7-122.3 153.4 -63.4 30.5 7.2 68 68 A G S S- 0 0 2 -2,-0.3 5,-0.3 5,-0.3 -51,-0.2 -0.958 78.0 -16.2 155.0-166.0 -64.0 29.9 3.5 69 69 A P S S- 0 0 65 0, 0.0 3,-0.2 0, 0.0 -55,-0.1 -0.350 70.5-105.2 -64.6 149.3 -66.5 30.8 0.7 70 70 A A S S+ 0 0 99 1,-0.2 3,-0.3 2,-0.1 -57,-0.0 0.820 119.2 49.7 -41.1 -46.0 -69.8 32.4 1.9 71 71 A G S S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.938 125.5 16.5 -62.8 -53.0 -71.7 29.1 1.1 72 72 A A - 0 0 53 -3,-0.2 2,-0.9 0, 0.0 -1,-0.2 -0.815 61.1-179.1-133.9 96.0 -69.4 26.7 2.9 73 73 A K + 0 0 82 -2,-0.4 -5,-0.3 -3,-0.3 -3,-0.0 -0.825 22.1 150.6 -90.9 106.1 -66.9 27.9 5.5 74 74 A N + 0 0 127 -2,-0.9 2,-0.5 -7,-0.6 -6,-0.2 0.358 32.0 100.6-122.2 6.2 -65.1 24.7 6.6 75 75 A L E - D 0 67A 23 -8,-2.0 -8,-2.4 -29,-0.0 -55,-0.0 -0.837 67.1-128.8 -99.8 124.9 -61.6 25.7 7.7 76 76 A Q E - D 0 66A 45 -2,-0.5 -29,-1.2 -10,-0.2 2,-0.3 -0.335 27.5-175.2 -66.2 149.4 -60.8 26.1 11.4 77 77 A S E -CD 46 65A 6 -12,-1.5 -12,-3.1 -31,-0.2 2,-0.4 -0.976 10.4-174.0-150.4 134.2 -59.1 29.3 12.6 78 78 A V E -C 45 0A 0 -33,-2.1 -33,-2.2 -2,-0.3 2,-0.5 -0.998 18.8-138.8-130.7 131.4 -57.8 30.4 15.9 79 79 A V E -C 44 0A 20 -16,-0.5 2,-0.5 -2,-0.4 -35,-0.2 -0.800 18.8-167.9 -91.4 125.7 -56.5 33.9 16.7 80 80 A L E -C 43 0A 0 -37,-3.0 -37,-3.7 -2,-0.5 -76,-0.1 -0.961 13.2-137.8-115.0 131.3 -53.4 34.0 18.9 81 81 A S E > -C 42 0A 15 -2,-0.5 4,-2.7 -39,-0.2 5,-0.2 -0.291 36.3 -98.0 -75.2 167.7 -52.1 37.2 20.5 82 82 A K H > S+ 0 0 140 -41,-0.6 4,-1.5 1,-0.2 -1,-0.1 0.869 129.6 48.3 -53.5 -36.2 -48.4 38.0 20.6 83 83 A M H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.955 109.1 50.2 -68.0 -54.7 -48.5 36.7 24.1 84 84 A N H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.913 108.7 53.2 -50.3 -52.1 -50.4 33.4 23.3 85 85 A F H X S+ 0 0 4 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.910 110.3 47.4 -50.3 -50.8 -47.9 32.7 20.4 86 86 A E H X S+ 0 0 86 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.903 114.7 45.7 -60.1 -43.5 -45.0 33.0 22.8 87 87 A S H X S+ 0 0 68 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.907 116.4 46.3 -66.0 -40.4 -46.7 30.8 25.4 88 88 A F H X S+ 0 0 4 -4,-3.3 4,-1.9 -5,-0.2 -2,-0.2 0.889 112.0 49.1 -70.2 -44.1 -47.6 28.3 22.7 89 89 A V H X S+ 0 0 0 -4,-3.3 4,-1.9 -5,-0.2 5,-0.3 0.907 108.3 54.7 -63.4 -42.9 -44.2 28.2 21.0 90 90 A K H X S+ 0 0 81 -4,-2.0 4,-1.5 -5,-0.2 5,-0.3 0.864 111.2 45.6 -57.3 -39.8 -42.4 27.7 24.4 91 91 A D H X>S+ 0 0 58 -4,-1.3 5,-2.7 3,-0.2 4,-1.5 0.873 110.5 50.7 -74.8 -41.4 -44.6 24.6 25.2 92 92 A L H <>S+ 0 0 1 -4,-1.9 6,-2.1 3,-0.2 5,-0.8 0.948 119.0 34.9 -62.1 -51.6 -44.4 22.9 21.8 93 93 A L H <5S+ 0 0 1 -4,-1.9 4,-0.2 4,-0.2 -2,-0.2 0.929 126.6 34.1 -71.7 -50.8 -40.6 23.0 21.5 94 94 A L H <5S+ 0 0 78 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.754 135.2 13.4 -81.8 -26.1 -39.5 22.6 25.1 95 95 A V T <5S+ 0 0 101 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.794 122.0 44.7-115.6 -61.6 -42.2 20.2 26.4 96 96 A R T -F 125 0B 4 3,-2.0 3,-1.2 -2,-0.3 -23,-0.1 -0.919 39.1-112.6-129.7 153.7 -37.0 22.2 16.2 123 125 A P T 3 S+ 0 0 6 0, 0.0 3,-0.2 0, 0.0 69,-0.1 0.702 126.2 36.8 -58.9 -18.1 -36.8 20.8 19.8 124 126 A G T 3 S+ 0 0 15 1,-0.2 2,-0.2 67,-0.1 17,-0.2 0.368 118.5 52.8-110.8 -2.5 -33.1 20.2 19.0 125 127 A N B < +F 122 0B 26 -3,-1.2 -3,-2.0 15,-0.1 -1,-0.2 -0.664 54.5 151.5-136.1 79.2 -32.7 23.4 17.0 126 128 A L > + 0 0 52 -2,-0.2 2,-2.0 -5,-0.2 3,-1.4 0.239 32.0 122.1 -91.9 11.8 -33.9 26.4 19.0 127 129 A S T 3 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -6,-0.0 -0.043 72.6 50.7 -71.4 38.6 -31.5 28.8 17.3 128 130 A Q T 3 S+ 0 0 83 -2,-2.0 -1,-0.2 -9,-0.0 3,-0.2 0.432 113.5 36.7-142.4 -28.5 -34.4 31.0 16.2 129 131 A F S X> S+ 0 0 9 -3,-1.4 4,-2.2 1,-0.1 3,-1.7 0.045 74.5 115.0-120.1 25.6 -36.4 31.6 19.3 130 132 A E T 34 S+ 0 0 108 -4,-0.4 4,-0.3 1,-0.3 -1,-0.1 0.731 75.7 60.5 -67.1 -21.6 -33.6 31.9 21.9 131 133 A D T 34 S+ 0 0 118 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.204 113.3 37.4 -88.0 12.2 -34.7 35.5 22.5 132 134 A I T <4 S+ 0 0 36 -3,-1.7 -2,-0.2 -46,-0.0 -1,-0.2 0.472 115.6 51.2-129.2 -31.2 -38.1 34.2 23.5 133 135 A L S >< S+ 0 0 27 -4,-2.2 2,-1.9 -7,-0.2 3,-0.7 0.361 75.9 119.5 -91.8 5.5 -36.9 31.1 25.4 134 136 A F T 3 + 0 0 85 -4,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.495 35.1 102.6 -78.0 83.3 -34.4 33.1 27.5 135 137 A G T 3 S- 0 0 64 -2,-1.9 -1,-0.2 0, 0.0 2,-0.2 0.620 100.7 -37.3-122.7 -47.5 -35.8 32.4 31.0 136 138 A N < 0 0 81 -3,-0.7 -2,-0.0 189,-0.0 0, 0.0 -0.569 360.0 360.0 176.2 112.9 -33.3 29.7 32.2 137 139 A N 0 0 95 -2,-0.2 -3,-0.0 -3,-0.0 -4,-0.0 0.493 360.0 360.0 -74.3 360.0 -31.7 26.9 30.1 138 ! 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 0.0 139 145 A I 0 0 66 0, 0.0 22,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.7 -26.3 18.8 22.9 140 146 A G + 0 0 15 20,-0.7 51,-1.7 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0.000 360.0 360.0 360.0 71.1 -48.6 11.1 41.6 311 322 A G - 0 0 61 2,-0.0 2,-0.1 323,-0.0 0, 0.0 -0.032 360.0 -44.7 69.0-173.9 -45.7 8.8 42.5 312 323 A S - 0 0 29 1,-0.1 319,-0.1 322,-0.1 2,-0.1 -0.282 66.9 -86.5 -84.3 173.2 -42.3 9.7 44.0 313 324 A Q - 0 0 79 317,-0.5 -1,-0.1 1,-0.1 321,-0.1 -0.369 50.2 -97.4 -75.9 158.0 -40.0 12.5 42.9 314 325 A S > - 0 0 15 -9,-0.2 4,-1.2 1,-0.1 -10,-0.2 -0.354 24.5-124.8 -71.6 158.7 -37.5 12.0 40.1 315 326 A L H > S+ 0 0 0 -12,-2.4 4,-2.3 2,-0.2 5,-0.2 0.877 112.7 46.6 -74.2 -38.2 -33.9 11.1 41.0 316 327 A A H > S+ 0 0 8 -12,-1.2 4,-2.7 -13,-0.2 -1,-0.2 0.920 108.9 56.9 -66.9 -42.7 -32.4 14.0 39.0 317 328 A A H 4 S+ 0 0 42 -12,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.8 41.4 -55.7 -37.0 -35.0 16.3 40.6 318 329 A L H < S+ 0 0 16 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.952 121.1 36.8 -76.8 -54.8 -33.7 15.3 44.1 319 330 A L H < S+ 0 0 0 -4,-2.3 2,-1.5 1,-0.2 281,-0.2 0.750 100.6 78.2 -73.9 -26.7 -30.0 15.2 43.6 320 331 A N < + 0 0 24 -4,-2.7 -1,-0.2 -5,-0.2 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S+ 0 0 50 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.852 85.1 43.5 -74.0 -35.3 -7.2 40.8 36.6 438 449 A K H > S+ 0 0 164 -3,-0.4 4,-1.0 -4,-0.3 -1,-0.2 0.841 112.1 53.1 -78.2 -36.3 -6.6 43.0 33.5 439 450 A F H > S+ 0 0 2 -4,-0.3 4,-1.2 1,-0.2 3,-0.3 0.907 108.5 49.5 -63.7 -45.3 -10.2 42.8 32.3 440 451 A Q H X S+ 0 0 15 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.876 107.4 54.1 -63.3 -41.8 -11.7 43.9 35.6 441 452 A E H X S+ 0 0 44 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.758 101.6 60.1 -66.8 -29.3 -9.4 46.9 35.9 442 453 A M H < S+ 0 0 36 -4,-1.0 3,-0.3 -3,-0.3 -1,-0.2 0.926 108.7 42.8 -62.7 -46.8 -10.5 48.1 32.5 443 454 A I H >X S+ 0 0 8 -4,-1.2 4,-2.4 1,-0.2 3,-1.7 0.890 105.4 63.9 -67.2 -42.3 -14.2 48.3 33.6 444 455 A E H 3< S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 111.5 36.1 -52.9 -36.0 -13.3 49.9 37.0 445 456 A T T 3< S+ 0 0 76 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.302 121.2 46.5-103.1 8.4 -11.9 53.0 35.2 446 457 A T T <4 S+ 0 0 7 -3,-1.7 14,-3.1 1,-0.2 2,-0.5 0.609 101.3 59.9-121.4 -21.7 -14.4 53.2 32.4 447 458 A L B < -R 459 0F 10 -4,-2.4 2,-1.2 12,-0.2 -1,-0.2 -0.943 68.2-144.0-118.2 117.3 -17.9 52.7 33.9 448 459 A D > - 0 0 68 -2,-0.5 3,-1.3 10,-0.5 10,-0.3 -0.634 17.1-171.3 -76.7 98.4 -19.3 55.1 36.5 449 460 A M T 3> S+ 0 0 79 -2,-1.2 4,-0.8 1,-0.3 -1,-0.2 0.333 73.1 78.3 -78.0 8.1 -21.1 52.6 38.7 450 461 A D T 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.664 107.3 32.2 -84.7 -19.5 -22.8 55.3 40.8 451 462 A Q T <> S+ 0 0 47 -3,-1.3 4,-0.6 7,-0.1 5,-0.3 0.237 108.2 72.8-116.3 6.1 -25.2 55.8 37.9 452 463 A V T 4 S+ 0 0 7 1,-0.2 -2,-0.1 2,-0.2 -3,-0.1 0.862 87.0 59.3 -87.0 -41.8 -25.2 52.1 36.8 453 464 A E T < S+ 0 0 147 -4,-0.8 -1,-0.2 1,-0.1 -2,-0.1 0.371 101.6 68.1 -70.0 7.1 -27.3 50.8 39.7 454 465 A N T 4 S- 0 0 110 2,-0.3 -2,-0.2 -3,-0.1 3,-0.1 0.755 120.3 -67.7 -87.6-102.7 -29.9 53.2 38.3 455 466 A H S < S+ 0 0 158 -4,-0.6 -3,-0.1 1,-0.1 2,-0.1 0.700 101.3 33.3-122.9 -59.9 -31.1 52.1 34.9 456 467 A E S S- 0 0 98 -5,-0.3 2,-0.5 -65,-0.0 -2,-0.3 -0.252 70.3-114.7 -98.0-175.5 -28.6 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4,-1.5 1,-0.1 -12,-0.2 -0.112 69.3-119.5 -76.0 165.9 -65.8 7.8 22.5 1225 758 B L H > S+ 0 0 0 -14,-2.1 4,-2.9 -13,-0.4 5,-0.2 0.841 112.7 54.6 -73.0 -37.0 -69.4 6.7 21.7 1226 759 B L H > S+ 0 0 2 -14,-1.7 4,-2.1 -15,-0.3 -1,-0.2 0.917 110.4 44.5 -64.7 -44.8 -70.8 10.2 22.2 1227 760 B E H 4 S+ 0 0 106 -15,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.862 115.7 49.7 -68.7 -34.2 -68.4 11.8 19.8 1228 761 B R H < S+ 0 0 109 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.978 118.1 36.3 -65.8 -55.3 -69.0 9.0 17.3 1229 762 B V H < S+ 0 0 4 -4,-2.9 2,-0.3 -5,-0.1 -2,-0.2 0.745 95.2 103.5 -74.0 -22.6 -72.8 9.1 17.4 1230 763 B D < + 0 0 28 -4,-2.1 8,-0.0 -5,-0.2 296,-0.0 -0.440 19.1 134.6 -72.5 125.2 -73.1 12.9 17.8 1231 764 B T + 0 0 65 -2,-0.3 -1,-0.2 294,-0.1 7,-0.1 0.240 31.1 146.3-139.9 1.6 -74.2 15.0 14.8 1232 765 B C - 0 0 9 1,-0.1 294,-0.1 5,-0.1 6,-0.1 -0.023 39.9-151.7 -44.6 141.9 -76.8 17.2 16.5 1233 766 B H S S+ 0 0 65 292,-0.1 49,-0.2 4,-0.0 -1,-0.1 0.563 71.1 65.1 -97.5 -12.0 -77.1 20.8 15.3 1234 767 B T S > S- 0 0 1 1,-0.1 4,-2.1 287,-0.1 5,-0.2 -0.892 75.5-131.2-115.6 146.0 -78.3 22.6 18.4 1235 768 B P H > S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.902 113.2 46.4 -56.3 -43.1 -76.4 23.1 21.7 1236 769 B F H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.818 108.3 56.5 -70.3 -29.8 -79.4 21.9 23.7 1237 770 B G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 106.0 51.3 -66.8 -39.2 -79.8 18.9 21.3 1238 771 B K H X S+ 0 0 64 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.935 108.3 51.3 -62.1 -47.1 -76.2 17.9 22.2 1239 772 B R H X S+ 0 0 18 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.864 108.4 51.5 -59.2 -38.2 -77.0 18.1 25.9 1240 773 B L H X S+ 0 0 42 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.812 102.2 60.7 -70.9 -29.7 -80.0 15.9 25.5 1241 774 B L H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.887 102.8 51.6 -63.9 -39.1 -78.0 13.2 23.6 1242 775 B K H X S+ 0 0 16 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.935 109.0 49.4 -62.6 -47.1 -75.8 12.8 26.6 1243 776 B Q H X S+ 0 0 57 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.824 112.6 48.7 -62.8 -31.6 -78.8 12.2 28.9 1244 777 B W H < S+ 0 0 19 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.833 112.3 48.1 -75.3 -35.7 -80.2 9.7 26.5 1245 778 B L H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.807 111.0 49.5 -73.9 -33.2 -76.9 7.8 26.2 1246 779 B C H < S+ 0 0 2 -4,-2.2 -44,-0.3 1,-0.3 -1,-0.2 0.651 120.8 35.9 -81.2 -17.0 -76.2 7.6 30.0 1247 780 B A S < S- 0 0 12 -4,-0.7 -1,-0.3 -5,-0.2 -46,-0.1 -0.664 76.6-172.6-137.4 79.4 -79.7 6.3 30.6 1248 781 B P - 0 0 0 0, 0.0 -48,-3.2 0, 0.0 370,-0.2 -0.377 29.4-109.8 -68.2 154.5 -81.0 4.0 27.9 1249 782 B L B -M 1199 0P 5 368,-1.5 -50,-0.2 -50,-0.2 370,-0.1 -0.308 23.6-169.7 -78.3 164.5 -84.6 2.8 28.2 1250 783 B C + 0 0 17 -52,-1.0 2,-0.5 -54,-0.1 -51,-0.1 0.138 55.5 103.2-141.5 22.4 -85.7 -0.7 29.1 1251 784 B N > - 0 0 45 -53,-0.2 4,-2.2 366,-0.1 5,-0.2 -0.918 65.6-142.9-103.3 128.2 -89.4 -0.5 28.3 1252 785 B H H > S+ 0 0 86 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.798 98.2 52.8 -67.7 -28.7 -90.2 -2.2 25.0 1253 786 B Y H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 112.2 45.1 -67.7 -47.3 -92.9 0.3 24.0 1254 787 B A H > S+ 0 0 19 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.879 113.1 49.9 -63.6 -41.2 -90.5 3.3 24.5 1255 788 B I H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.918 113.7 45.2 -66.2 -43.7 -87.6 1.6 22.7 1256 789 B N H X S+ 0 0 39 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.830 107.7 58.7 -67.8 -34.0 -89.8 0.7 19.6 1257 790 B D H X S+ 0 0 18 -4,-1.9 4,-1.6 2,-0.2 97,-0.3 0.793 106.9 46.9 -67.1 -31.8 -91.3 4.2 19.6 1258 791 B R H X S+ 0 0 16 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.2 0.821 111.5 51.9 -76.1 -32.9 -87.9 5.8 19.1 1259 792 B L H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.818 108.3 51.5 -70.1 -30.9 -87.2 3.2 16.5 1260 793 B D H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 90,-0.3 0.902 107.7 52.1 -70.5 -40.8 -90.4 4.2 14.8 1261 794 B A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.931 107.6 52.6 -59.9 -46.4 -89.4 7.9 14.9 1262 795 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.919 112.0 44.3 -54.9 -48.5 -86.1 7.0 13.2 1263 796 B E H X S+ 0 0 63 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.790 109.9 56.6 -68.4 -29.8 -87.8 5.2 10.4 1264 797 B D H < S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 111.5 43.3 -66.1 -41.5 -90.4 8.0 10.0 1265 798 B L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 7,-0.2 0.840 106.2 61.1 -73.8 -35.7 -87.5 10.5 9.5 1266 799 B M H 3< S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 100.6 53.6 -61.1 -36.2 -85.5 8.3 7.1 1267 800 B V T 3< S+ 0 0 119 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.329 103.0 61.6 -84.4 8.9 -88.3 8.1 4.5 1268 801 B V <> + 0 0 20 -3,-1.4 4,-1.8 1,-0.1 -1,-0.2 -0.474 56.1 151.3-132.8 63.7 -88.6 11.9 4.4 1269 802 B P H > + 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.823 68.2 59.7 -66.2 -34.9 -85.1 13.2 3.2 1270 803 B D H > S+ 0 0 125 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.900 109.8 42.8 -62.7 -40.4 -86.4 16.5 1.5 1271 804 B K H >> S+ 0 0 37 -3,-0.2 4,-2.2 2,-0.2 3,-0.6 0.979 111.5 53.6 -68.8 -53.5 -87.9 17.8 4.7 1272 805 B I H 3X S+ 0 0 27 -4,-1.8 4,-3.3 1,-0.2 3,-0.3 0.900 105.3 55.1 -44.4 -54.2 -85.0 16.8 6.9 1273 806 B S H 3X S+ 0 0 67 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.868 112.6 40.6 -51.9 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58.0 -76.9 -34.4 -79.1 29.4 28.0 1288 821 B L H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.901 100.8 56.4 -58.8 -43.2 -80.5 32.6 26.5 1289 822 B L H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.899 108.3 47.8 -56.5 -42.1 -83.7 32.2 28.5 1290 823 B S H X S+ 0 0 7 -4,-1.0 4,-2.1 -251,-0.2 -1,-0.2 0.896 111.3 50.9 -64.7 -42.0 -81.6 32.1 31.7 1291 824 B K H X S+ 0 0 51 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.897 111.7 46.4 -62.2 -42.9 -79.7 35.2 30.6 1292 825 B I H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.917 110.8 52.8 -67.8 -43.0 -82.8 37.2 29.9 1293 826 B H H X S+ 0 0 7 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.906 109.0 51.0 -55.8 -44.1 -84.4 36.1 33.1 1294 827 B N H >< S+ 0 0 19 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.909 109.7 48.2 -62.7 -44.5 -81.3 37.3 35.0 1295 828 B V H 3< S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 114.6 45.4 -68.3 -31.6 -81.3 40.8 33.4 1296 829 B G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 208,-0.2 -2,-0.2 0.437 79.6 140.5 -93.3 1.1 -85.0 41.4 34.0 1297 830 B S S+ 0 0 20 0, 0.0 4,-1.2 0, 0.0 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0.597 116.9 43.6 -72.4 -17.2 -92.8 17.2 19.6 1358 891 B I H 3< S+ 0 0 2 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.2 0.413 102.8 67.6-111.4 1.4 -93.6 18.6 16.1 1359 892 B S S << S- 0 0 7 -4,-0.9 10,-3.5 -3,-0.7 -19,-0.1 -0.895 73.9-115.0-126.9 156.4 -97.3 19.4 16.3 1360 893 B L B > -o 1369 0R 48 -2,-0.3 4,-0.9 8,-0.2 6,-0.2 -0.263 36.8-104.2 -76.5 166.9 -99.5 21.9 18.1 1361 894 B Q T 4 S+ 0 0 113 8,-0.6 -1,-0.1 1,-0.2 3,-0.0 0.755 123.8 55.1 -62.4 -24.4 -102.2 21.0 20.6 1362 895 B T T 4 S+ 0 0 125 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.900 102.9 52.5 -74.8 -44.9 -104.7 21.6 17.8 1363 896 B K T 4 S- 0 0 84 1,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.647 132.5 -6.6 -66.3 -17.6 -103.1 19.2 15.3 1364 897 B N S < S- 0 0 55 -4,-0.9 2,-0.3 -8,-0.1 -1,-0.2 -0.897 76.0-115.6-174.7 147.8 -103.2 16.3 17.8 1365 898 B P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.021 74.3 73.4 -97.7 40.5 -104.1 16.2 21.5 1366 899 B E S S- 0 0 98 -2,-0.3 0, 0.0 -6,-0.2 0, 0.0 -0.882 101.2 -30.3-157.8 122.7 -101.1 15.3 23.7 1367 900 B G S S+ 0 0 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