==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-SEP-98 1BUA . COMPND 2 MOLECULE: DNA (5'-D(*AP*AP*AP*GP*AP*CP*IP*TP*CP*TP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.J.PERONA,A.M.MARTIN . 460 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 3 0 0 3 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S > 0 0 95 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 171.1 -0.4 26.4 18.8 2 3 A L H > + 0 0 14 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.955 360.0 49.6 -56.8 -47.7 -1.6 22.9 17.9 3 4 A R H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.928 112.7 43.9 -58.3 -53.2 0.5 23.1 14.7 4 5 A S H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 116.6 47.6 -60.9 -44.4 3.7 24.3 16.4 5 6 A D H X S+ 0 0 52 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.903 112.5 49.0 -63.0 -43.6 3.3 21.8 19.1 6 7 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.917 112.1 49.1 -59.6 -49.6 2.6 19.0 16.6 7 8 A I H X S+ 0 0 65 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.900 112.6 47.4 -57.0 -48.8 5.6 20.0 14.5 8 9 A N H X S+ 0 0 102 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.906 112.1 49.2 -62.8 -44.9 7.9 20.0 17.6 9 10 A A H X S+ 0 0 24 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.956 114.4 44.2 -61.2 -47.9 6.7 16.7 18.9 10 11 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.910 115.1 49.5 -62.6 -43.2 7.2 15.0 15.5 11 12 A Y H X S+ 0 0 130 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.898 115.6 43.9 -61.2 -43.7 10.5 16.6 15.0 12 13 A D H >X S+ 0 0 107 -4,-2.6 4,-2.3 2,-0.2 3,-1.5 0.973 113.1 47.8 -65.3 -60.3 11.6 15.5 18.5 13 14 A E H 3< S+ 0 0 22 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.4 54.1 -51.4 -39.5 10.3 11.9 18.4 14 15 A N H 3< S+ 0 0 19 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.3 0.757 108.0 49.8 -69.4 -25.7 11.9 11.4 15.0 15 16 A Q H << S+ 0 0 117 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.2 0.906 117.3 39.8 -76.6 -43.7 15.3 12.6 16.4 16 17 A K S < S+ 0 0 77 -4,-2.3 2,-0.3 242,-0.0 -2,-0.2 0.071 112.3 63.1 -96.1 28.4 15.1 10.2 19.4 17 18 A Y + 0 0 17 -3,-0.4 2,-0.3 -5,-0.1 239,-0.0 -1.000 42.4 179.5-157.3 150.7 13.7 7.2 17.7 18 19 A D - 0 0 87 -2,-0.3 239,-2.8 133,-0.0 2,-0.4 -0.971 30.6-129.4-146.7 126.8 14.1 4.5 15.0 19 20 A V E -A 256 0A 3 -2,-0.3 237,-0.3 237,-0.3 13,-0.1 -0.691 22.1-173.5 -82.8 131.9 11.6 1.8 14.3 20 21 A C E - 0 0 9 235,-3.3 12,-0.5 -2,-0.4 2,-0.3 0.663 47.7 -69.3 -98.9 -30.2 13.3 -1.7 14.3 21 22 A G E -A 255 0A 0 234,-1.1 234,-3.0 10,-0.2 -1,-0.3 -0.973 61.1 -53.4 163.0-169.7 10.6 -4.1 13.2 22 23 A I E -AB 254 30A 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.745 46.0-147.9 -99.3 151.3 7.3 -5.7 14.2 23 24 A I E -AB 253 29A 1 230,-2.5 229,-2.6 -2,-0.3 230,-0.8 -0.949 1.8-142.9-125.9 141.4 6.9 -7.6 17.5 24 25 A S E > -A 251 0A 5 4,-2.3 3,-2.3 -2,-0.4 227,-0.3 -0.593 32.2-110.0 -94.0 161.6 4.8 -10.5 18.4 25 26 A A T 3 S+ 0 0 32 225,-2.1 355,-0.1 1,-0.3 226,-0.1 0.677 121.2 59.5 -64.7 -16.4 3.1 -10.9 21.8 26 27 A E T 3 S- 0 0 89 2,-0.1 -1,-0.3 224,-0.1 225,-0.1 0.184 122.6-108.0 -94.7 11.6 5.6 -13.7 22.4 27 28 A G S < S+ 0 0 10 -3,-2.3 116,-0.4 1,-0.2 2,-0.3 0.555 70.7 141.0 78.0 8.5 8.4 -11.2 22.0 28 29 A K - 0 0 27 114,-0.1 -4,-2.3 115,-0.1 2,-0.5 -0.670 39.8-147.2 -83.6 137.0 9.8 -12.3 18.6 29 30 A I E -BC 23 141A 1 112,-3.0 112,-3.0 -2,-0.3 -6,-0.2 -0.910 6.9-157.0-111.2 138.1 10.8 -9.4 16.5 30 31 A Y E -B 22 0A 19 -8,-3.0 -8,-2.5 -2,-0.5 110,-0.1 -0.945 20.2-124.3-113.7 128.3 10.6 -9.3 12.7 31 32 A P - 0 0 14 0, 0.0 -10,-0.2 0, 0.0 2,-0.2 -0.136 26.7-105.4 -65.6 161.2 12.8 -6.9 10.7 32 33 A L - 0 0 8 -12,-0.5 2,-0.2 118,-0.4 -11,-0.0 -0.518 25.9-134.9 -89.4 156.5 11.6 -4.4 8.1 33 34 A G - 0 0 5 -2,-0.2 6,-0.1 2,-0.1 -1,-0.1 -0.543 20.9-113.5-101.7 176.0 11.8 -4.6 4.4 34 35 A S S S+ 0 0 66 -2,-0.2 2,-0.1 4,-0.1 5,-0.1 0.641 73.8 115.5 -85.4 -20.7 12.8 -1.9 1.8 35 36 A D >> - 0 0 44 1,-0.2 3,-2.9 2,-0.1 4,-1.4 -0.358 66.1-138.3 -56.5 124.6 9.5 -1.4 0.0 36 37 A T H 3> S+ 0 0 36 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.813 106.2 70.6 -52.7 -26.3 8.2 2.2 0.6 37 38 A K H 3> S+ 0 0 90 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.850 100.8 44.7 -58.0 -35.8 5.0 0.4 1.0 38 39 A V H <> S+ 0 0 8 -3,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.958 114.0 47.7 -71.2 -52.5 6.4 -0.9 4.3 39 40 A L H X S+ 0 0 0 -4,-1.4 4,-3.3 1,-0.2 5,-0.3 0.851 105.5 57.1 -60.0 -41.0 7.8 2.4 5.4 40 41 A S H X S+ 0 0 45 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.940 111.0 46.0 -54.3 -47.6 4.6 4.4 4.7 41 42 A T H X S+ 0 0 9 -4,-0.9 4,-2.2 -5,-0.3 -2,-0.2 0.912 112.3 50.1 -59.5 -48.7 2.9 2.0 7.1 42 43 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 112.2 47.0 -59.7 -44.7 5.6 2.3 9.7 43 44 A F H X S+ 0 0 3 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.790 110.7 51.9 -71.1 -26.5 5.6 6.1 9.6 44 45 A E H X S+ 0 0 29 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.927 113.1 43.9 -72.8 -44.2 1.8 6.2 9.8 45 46 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 112.2 53.6 -66.2 -37.3 1.7 3.9 12.9 46 47 A F H < S+ 0 0 5 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.811 110.5 47.8 -66.1 -33.9 4.7 5.8 14.5 47 48 A S H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 3,-0.3 0.770 91.3 81.4 -79.0 -32.4 2.8 9.1 14.1 48 49 A R H X S+ 0 0 12 -4,-1.4 4,-2.2 1,-0.2 -1,-0.1 0.863 93.5 41.7 -43.4 -59.8 -0.6 8.0 15.5 49 50 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.853 114.6 53.2 -62.5 -34.4 0.1 8.3 19.3 50 51 A I H > S+ 0 0 22 -4,-0.4 4,-2.3 -3,-0.3 5,-0.3 0.935 109.5 46.9 -64.6 -51.1 2.0 11.6 18.9 51 52 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.950 113.8 50.8 -56.5 -46.0 -0.9 13.3 16.9 52 53 A N H X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.863 109.8 48.0 -61.1 -42.2 -3.3 12.0 19.6 53 54 A K H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.972 115.0 43.8 -64.7 -55.2 -1.3 13.3 22.6 54 55 A I H X S+ 0 0 28 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.877 115.0 50.6 -57.8 -40.7 -0.8 16.8 21.1 55 56 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.3 -1,-0.2 0.951 109.0 49.8 -62.2 -52.4 -4.4 17.0 20.0 56 57 A E H ><5S+ 0 0 64 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.883 105.9 58.0 -55.4 -40.7 -5.8 15.9 23.4 57 58 A K H 3<5S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.941 109.6 44.8 -55.3 -46.8 -3.6 18.6 25.0 58 59 A H T 3<5S- 0 0 45 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.214 121.2-103.7 -86.0 15.7 -5.3 21.2 22.9 59 60 A G T < 5S+ 0 0 42 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.673 73.3 142.0 73.9 18.8 -8.9 20.0 23.4 60 61 A Y < - 0 0 47 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.728 45.1-139.8 -97.4 141.7 -9.2 18.3 20.0 61 62 A I E -F 77 0B 60 16,-3.1 16,-1.5 -2,-0.3 2,-0.4 -0.734 19.0-147.1 -90.5 146.1 -11.0 15.0 19.4 62 63 A V E -F 76 0B 25 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.968 16.3-178.7-121.3 133.2 -9.3 12.7 16.9 63 64 A E E -F 75 0B 58 12,-2.1 12,-2.8 -2,-0.4 55,-0.1 -0.999 10.9-156.7-132.7 133.0 -11.0 10.3 14.5 64 65 A E 0 0 57 -2,-0.4 10,-0.2 10,-0.2 9,-0.1 -0.670 360.0 360.0 -98.8 158.2 -9.5 7.9 12.0 65 66 A P 0 0 48 0, 0.0 -1,-0.2 0, 0.0 201,-0.1 -0.168 360.0 360.0 -57.7 360.0 -11.4 6.6 8.9 66 ! 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 67 68 A Q > 0 0 91 0, 0.0 3,-0.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -35.6 -14.1 3.4 6.5 68 69 A Q T 3 + 0 0 58 1,-0.2 3,-0.1 -3,-0.1 48,-0.1 -0.437 360.0 24.5 -73.9 147.8 -11.5 2.0 4.0 69 70 A N T 3 S+ 0 0 138 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.788 94.0 129.0 71.4 22.6 -10.5 4.2 1.1 70 71 A H < - 0 0 72 -3,-0.8 47,-0.3 2,-0.1 -1,-0.2 -0.966 53.4-109.0-119.0 133.0 -11.5 7.4 2.9 71 72 A Y B S+j 117 0C 23 45,-2.6 47,-2.3 -2,-0.5 48,-0.2 -0.609 77.1 47.3 -87.6 149.7 -9.4 10.6 3.4 72 73 A P - 0 0 0 0, 0.0 17,-0.2 0, 0.0 3,-0.1 0.723 55.5-147.9-103.1 172.0 -8.0 11.8 5.8 73 74 A D S S+ 0 0 45 15,-0.4 2,-0.4 1,-0.2 16,-0.2 0.908 92.6 18.9 -58.2 -43.0 -5.8 9.7 8.1 74 75 A F E - G 0 88B 6 14,-2.3 14,-2.5 -10,-0.2 2,-0.5 -0.994 66.2-162.7-136.1 128.9 -6.7 11.8 11.1 75 76 A T E -FG 63 87B 0 -12,-2.8 -12,-2.1 -2,-0.4 2,-0.4 -0.957 15.0-169.8-111.0 124.3 -9.6 14.2 11.5 76 77 A L E +FG 62 86B 1 10,-3.2 10,-3.0 -2,-0.5 2,-0.3 -0.923 17.7 141.7-116.1 141.4 -9.3 16.7 14.4 77 78 A Y E -F 61 0B 30 -16,-1.5 -16,-3.1 -2,-0.4 8,-0.1 -0.961 47.0-110.4-169.4 154.1 -11.9 19.1 15.8 78 79 A K E > - G 0 81B 56 3,-0.6 3,-1.3 -2,-0.3 6,-0.2 -0.744 31.7-124.9 -90.2 140.4 -13.2 20.5 19.1 79 80 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.854 111.7 53.1 -52.0 -36.4 -16.6 19.2 20.1 80 81 A S T 3 S+ 0 0 93 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.712 114.6 39.2 -72.4 -24.7 -17.9 22.8 20.3 81 82 A E E X +G 78 0B 86 -3,-1.3 3,-1.2 1,-0.1 -3,-0.6 -0.605 63.7 156.1-129.3 71.8 -16.8 23.7 16.8 82 83 A P E 3 S+ 0 0 55 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.802 71.0 64.5 -63.7 -36.9 -17.5 20.6 14.6 83 84 A N E 3 S+ 0 0 113 1,-0.2 -6,-0.0 -3,-0.1 -3,-0.0 0.317 93.4 66.7 -70.7 3.0 -17.7 22.8 11.4 84 85 A K E < S+ 0 0 24 -3,-1.2 -1,-0.2 -6,-0.2 -6,-0.2 -0.408 72.4 164.9-125.4 61.0 -14.1 23.6 11.8 85 86 A K E - h 0 124B 4 38,-2.8 40,-2.9 -3,-0.4 41,-1.1 -0.299 28.9-144.6 -80.8 154.4 -12.2 20.3 11.2 86 87 A I E -Gh 76 126B 11 -10,-3.0 -10,-3.2 38,-0.2 2,-0.5 -0.987 11.4-156.9-118.4 127.0 -8.6 19.8 10.6 87 88 A A E -Gh 75 127B 0 39,-2.4 41,-3.2 -2,-0.4 2,-0.4 -0.933 8.9-171.3-106.5 128.3 -7.5 16.9 8.2 88 89 A I E -Gh 74 128B 0 -14,-2.5 -14,-2.3 -2,-0.5 -15,-0.4 -0.979 2.6-175.6-121.5 134.7 -4.1 15.5 8.5 89 90 A D E - h 0 129B 10 39,-2.1 41,-2.4 -2,-0.4 2,-0.5 -0.994 18.6-138.4-131.4 135.2 -2.6 13.0 6.0 90 91 A I E - h 0 130B 15 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.813 23.0-174.9 -95.1 126.6 0.8 11.2 6.2 91 92 A K E - h 0 131B 35 39,-2.6 41,-2.8 -2,-0.5 2,-0.3 -0.974 3.2-164.2-123.8 142.3 2.8 11.0 3.0 92 93 A T E + h 0 132B 28 -2,-0.4 2,-0.3 39,-0.2 10,-0.3 -0.902 15.7 156.1-129.3 149.5 6.0 9.2 2.4 93 94 A T E - h 0 133B 30 39,-1.6 41,-1.4 -2,-0.3 2,-0.3 -0.932 24.8-131.7-155.1 172.7 8.8 9.2 -0.3 94 95 A Y E h 0 134B 137 -2,-0.3 41,-0.2 39,-0.2 6,-0.2 -0.844 360.0 360.0-132.1 168.3 12.4 8.3 -0.4 95 96 A T 0 0 58 39,-2.4 41,-2.2 -2,-0.3 4,-0.1 -0.899 360.0 360.0-132.1 360.0 15.8 9.6 -1.6 96 ! 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 97 101 A E 0 0 99 0, 0.0 89,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.1 18.2 15.6 -4.1 98 102 A K - 0 0 114 87,-0.1 2,-0.3 85,-0.1 87,-0.2 -0.457 360.0-165.6 -74.0 148.8 14.8 16.8 -5.1 99 103 A I B -K 184 0D 8 85,-3.2 85,-1.9 -2,-0.1 2,-0.3 -0.828 5.8-165.1-129.1 168.2 11.8 14.8 -3.8 100 104 A K - 0 0 40 -2,-0.3 2,-0.3 83,-0.2 -6,-0.1 -0.971 4.3-154.4-153.9 151.9 8.1 14.8 -4.8 101 105 A F - 0 0 6 81,-0.4 80,-2.2 -2,-0.3 2,-0.6 -0.879 21.7-122.9-128.0 158.2 5.0 13.4 -3.2 102 106 A T E -L 180 0E 67 -2,-0.3 78,-0.2 -10,-0.3 3,-0.1 -0.906 25.9-160.8 -99.3 124.7 1.6 12.3 -4.5 103 107 A L E - 0 0 5 76,-3.2 77,-0.1 -2,-0.6 -1,-0.1 0.164 43.4 -83.0 -99.3 24.8 -0.9 14.4 -2.6 104 108 A G E - 0 0 13 75,-0.3 75,-3.4 -33,-0.0 -1,-0.3 -0.176 64.6 -42.6 99.1 162.7 -4.1 12.5 -3.0 105 109 A G E -L 178 0E 16 73,-0.3 73,-0.3 1,-0.1 5,-0.3 -0.225 32.2-158.7 -69.0 151.4 -6.7 12.2 -5.7 106 110 A Y S S+ 0 0 1 71,-2.2 -1,-0.1 1,-0.1 72,-0.1 0.333 87.1 59.6-107.3 6.0 -8.1 15.1 -7.6 107 111 A T S S+ 0 0 26 70,-0.4 -1,-0.1 3,-0.1 71,-0.1 0.393 99.6 56.1-113.1 0.8 -11.4 13.4 -8.7 108 112 A S S >> S- 0 0 14 3,-0.1 3,-2.1 8,-0.1 4,-2.0 0.525 114.7 -4.1 -98.1-117.3 -12.9 12.6 -5.3 109 113 A F T 34 S+ 0 0 12 6,-0.7 12,-0.1 1,-0.3 7,-0.1 0.672 125.1 61.7 -55.0 -27.4 -13.7 15.0 -2.4 110 114 A I T 34 S+ 0 0 1 -5,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.744 119.0 30.0 -73.6 -17.0 -12.2 18.1 -4.0 111 115 A R T <4 S+ 0 0 103 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.638 129.3 35.8-108.3 -25.1 -14.8 17.6 -6.8 112 116 A N S >< S- 0 0 81 -4,-2.0 3,-2.7 3,-0.2 -1,-0.3 -0.922 78.0-139.1-136.4 107.3 -17.7 16.0 -4.8 113 117 A N T 3 S+ 0 0 58 -2,-0.4 8,-2.7 1,-0.3 9,-0.1 0.641 99.1 30.2 -33.8 -39.1 -18.2 17.2 -1.2 114 118 A T T 3 S+ 0 0 90 6,-0.2 2,-0.7 7,-0.1 3,-0.4 0.126 86.3 122.9-116.2 21.4 -18.9 13.8 0.2 115 119 A K S < S- 0 0 78 -3,-2.7 -6,-0.7 1,-0.2 -3,-0.2 -0.761 90.5 -23.9 -93.0 115.7 -16.9 11.4 -2.0 116 120 A N S S+ 0 0 63 -2,-0.7 -45,-2.6 1,-0.2 2,-0.3 0.792 107.3 115.3 60.6 37.9 -14.3 9.2 -0.2 117 121 A I B -j 71 0C 9 -3,-0.4 -1,-0.2 -47,-0.3 4,-0.0 -0.938 69.4-130.1-136.8 148.5 -13.9 11.5 2.8 118 122 A V S S+ 0 0 45 -47,-2.3 -1,-0.1 -2,-0.3 -2,-0.1 0.927 95.3 15.8 -65.8 -45.2 -14.8 11.0 6.4 119 123 A Y S S- 0 0 54 -48,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.873 105.8 -76.0-125.7 158.5 -16.7 14.2 6.8 120 124 A P > - 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U 0 404I 0 -76,-3.3 -77,-3.0 -2,-0.3 2,-0.3 -0.452 32.7-137.0 -75.1 135.5 -6.8 -10.9 -12.0 413 190 B G E -T 334 0I 5 -10,-0.8 -12,-2.9 -79,-0.2 -79,-0.2 -0.768 13.1-138.4 -95.2 147.6 -9.7 -11.8 -9.7 414 191 B S E - U 0 400I 12 -81,-1.8 -14,-0.3 -2,-0.3 -11,-0.2 -0.446 40.8 -73.0 -93.0 176.8 -9.5 -15.1 -7.7 415 192 B I - 0 0 15 -16,-2.6 2,-0.7 -2,-0.2 -82,-0.4 -0.210 43.1-124.8 -63.2 160.5 -12.4 -17.4 -7.3 416 193 B H + 0 0 118 -84,-0.1 2,-0.2 -3,-0.1 -84,-0.2 -0.824 65.5 114.8-111.5 91.8 -15.0 -16.1 -4.8 417 194 B A B -S 331 0H 16 -86,-0.8 -86,-2.6 -2,-0.7 2,-0.2 -0.655 66.6 -68.0-140.8-171.0 -15.2 -19.1 -2.4 418 195 B H >> - 0 0 119 -88,-0.3 3,-1.5 -2,-0.2 4,-1.1 -0.641 49.0-105.5 -89.5 151.8 -14.5 -20.2 1.2 419 196 B Y H >> S+ 0 0 86 1,-0.3 4,-2.0 -2,-0.2 3,-0.8 0.845 119.5 63.2 -39.5 -46.0 -11.1 -20.6 2.6 420 197 B K H 3> S+ 0 0 50 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.870 98.7 52.6 -49.1 -46.9 -11.5 -24.4 2.3 421 198 B D H <>>S+ 0 0 47 -3,-1.5 5,-2.4 1,-0.2 4,-2.3 0.838 107.3 52.0 -62.0 -34.6 -11.8 -24.2 -1.5 422 199 B F H <<5S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.921 109.9 48.8 -69.0 -43.2 -8.6 -22.2 -1.7 423 200 B V H <5S+ 0 0 66 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.951 118.3 39.1 -60.8 -50.4 -6.7 -24.8 0.4 424 201 B E H <5S- 0 0 154 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.792 112.1-120.4 -71.0 -29.7 -8.0 -27.7 -1.7 425 202 B G T <5 + 0 0 21 -4,-2.3 2,-1.5 -5,-0.3 -3,-0.2 0.901 43.3 171.6 88.7 49.0 -7.7 -25.9 -5.0 426 203 B K < + 0 0 52 -5,-2.4 -1,-0.1 -6,-0.1 -5,-0.1 -0.566 23.4 151.7 -91.9 73.9 -11.3 -25.8 -6.3 427 204 B G - 0 0 37 -2,-1.5 -28,-0.1 2,-0.1 -26,-0.1 -0.035 51.6-123.4 -91.0-165.5 -10.8 -23.5 -9.2 428 205 B I S S+ 0 0 54 -28,-0.8 2,-0.3 -30,-0.1 -27,-0.1 0.604 77.2 90.5-114.1 -25.7 -12.5 -23.0 -12.6 429 206 B F - 0 0 14 -29,-0.4 -2,-0.1 -32,-0.3 3,-0.1 -0.603 63.9-145.3 -80.3 140.3 -9.6 -23.3 -15.1 430 207 B D S S- 0 0 119 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.867 79.5 -6.6 -68.8 -37.6 -8.8 -26.7 -16.6 431 208 B S > - 0 0 42 1,-0.1 4,-1.8 -34,-0.1 -1,-0.1 -0.917 69.9-103.7-149.1 175.8 -5.1 -26.0 -16.8 432 209 B E H > S+ 0 0 73 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.848 120.4 59.4 -73.0 -33.8 -2.5 -23.3 -16.2 433 210 B D H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 107.8 44.3 -61.3 -39.4 -2.3 -23.0 -20.0 434 211 B E H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.869 111.3 54.9 -71.2 -40.8 -6.0 -22.1 -20.2 435 212 B F H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.942 111.8 44.1 -55.7 -49.9 -5.5 -19.7 -17.2 436 213 B L H X S+ 0 0 23 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.881 113.1 49.8 -63.8 -43.4 -2.8 -17.9 -19.1 437 214 B D H X S+ 0 0 32 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.949 109.2 51.8 -64.5 -45.8 -4.7 -17.8 -22.4 438 215 B Y H >X S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 4,-0.5 0.966 115.7 40.9 -55.3 -50.6 -7.9 -16.4 -20.7 439 216 B W H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.774 109.0 57.8 -73.3 -24.6 -5.9 -13.5 -19.0 440 217 B R H 3< S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.711 116.9 36.2 -75.2 -20.6 -3.6 -12.7 -21.9 441 218 B N H << S+ 0 0 44 -4,-1.2 2,-0.2 -3,-0.8 -2,-0.2 0.343 86.1 122.5-114.2 2.3 -6.7 -12.0 -24.1 442 219 B Y < - 0 0 3 -4,-0.5 2,-0.3 -3,-0.2 12,-0.1 -0.478 58.8-132.4 -68.8 128.5 -9.0 -10.5 -21.5 443 220 B E - 0 0 59 10,-0.4 6,-0.1 -2,-0.2 -1,-0.1 -0.674 9.7-127.6 -85.0 144.7 -10.2 -7.0 -22.5 444 221 B R S S+ 0 0 134 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.888 84.3 37.6 -59.2 -46.3 -10.0 -4.1 -20.0 445 222 B T S > S- 0 0 71 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.724 80.8-116.6-114.0 158.1 -13.5 -2.7 -20.1 446 223 B S H > S+ 0 0 78 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.804 113.5 61.8 -59.6 -26.9 -16.9 -4.3 -20.4 447 224 B Q H > S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.987 108.8 38.8 -62.0 -58.9 -17.4 -2.5 -23.7 448 225 B L H 4 S+ 0 0 96 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.818 119.9 51.9 -59.2 -31.9 -14.4 -4.3 -25.4 449 226 B R H >X S+ 0 0 31 -4,-2.1 3,-3.2 1,-0.2 4,-0.5 0.898 91.2 67.9 -76.3 -42.5 -15.4 -7.4 -23.6 450 227 B N H 3< S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.683 102.6 50.8 -53.2 -20.2 -19.1 -7.8 -24.4 451 228 B D T 3< S+ 0 0 90 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.372 127.2 20.1 -98.9 5.4 -18.0 -8.5 -28.0 452 229 B K T <4 S- 0 0 37 -3,-3.2 2,-0.3 -9,-0.0 -2,-0.2 0.499 120.4 -40.5-133.4 -84.9 -15.5 -11.2 -27.0 453 230 B Y < + 0 0 2 -4,-0.5 -10,-0.4 -5,-0.1 -2,-0.1 -0.933 32.3 178.1-160.5 143.0 -15.8 -12.8 -23.6 454 231 B N S S+ 0 0 38 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 0.408 76.2 14.9-119.8 -10.7 -16.7 -11.9 -20.0 455 232 B N S > S- 0 0 49 1,-0.1 4,-1.9 -52,-0.1 5,-0.2 -0.922 90.8 -81.6-152.5-178.1 -16.5 -15.3 -18.3 456 233 B I H > S+ 0 0 22 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.916 122.4 50.2 -59.9 -47.4 -15.3 -18.8 -18.7 457 234 B S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 112.2 47.6 -56.0 -51.0 -18.3 -20.1 -20.8 458 235 B E H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.826 110.6 52.8 -61.0 -32.9 -18.0 -17.2 -23.2 459 236 B Y H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.897 107.4 50.6 -69.8 -43.3 -14.3 -17.7 -23.5 460 237 B R H X S+ 0 0 86 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.912 112.5 47.3 -61.7 -35.8 -14.8 -21.4 -24.4 461 238 B N H X S+ 0 0 86 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.910 106.7 57.8 -71.0 -40.1 -17.3 -20.3 -27.1 462 239 B W H <>S+ 0 0 19 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.809 106.8 49.0 -58.0 -35.7 -14.8 -17.7 -28.3 463 240 B I H ><5S+ 0 0 69 -4,-1.5 3,-1.7 3,-0.2 -1,-0.2 0.928 109.6 51.2 -70.7 -44.1 -12.3 -20.5 -28.9 464 241 B Y H 3<5S+ 0 0 200 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.943 105.2 56.8 -55.4 -49.4 -14.9 -22.6 -30.7 465 242 B R T 3<5S- 0 0 126 -4,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.537 129.0 -99.0 -59.2 -11.2 -15.6 -19.5 -33.0 466 243 B G T < 5 0 0 58 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.719 360.0 360.0 94.9 26.5 -12.0 -19.5 -33.9 467 244 B R < 0 0 135 -5,-3.0 -4,-0.2 -6,-0.2 -1,-0.1 0.932 360.0 360.0 58.3 360.0 -10.9 -16.7 -31.5