==== 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 HYDROLASE/DNA 18-DEC-03 1RXW . COMPND 2 MOLECULE: 5'-D(*C*PG*PA*PT*PG*PC*PT*PA)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.R.CHAPADOS,D.J.HOSFIELD,S.HAN,J.QIU,B.YELENT,B.SHEN,J.A.TA . 305 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.6 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.9 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 0 0 6 0 1 3 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 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 . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A A > 0 0 83 0, 0.0 4,-0.5 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 163.9 72.8 13.0 48.9 2 4 A D T >4 + 0 0 97 1,-0.2 3,-2.7 2,-0.2 4,-0.3 0.983 360.0 52.7 -66.2 -58.8 70.5 13.8 51.8 3 5 A I G >4 S+ 0 0 15 1,-0.3 3,-1.5 216,-0.3 4,-0.4 0.752 97.8 70.6 -48.9 -26.0 67.8 11.3 50.9 4 6 A G G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.828 80.2 73.6 -63.3 -30.8 70.6 8.8 50.8 5 7 A D G << S+ 0 0 127 -3,-2.7 -1,-0.3 -4,-0.5 -2,-0.2 0.723 91.6 57.6 -56.5 -21.2 71.0 8.9 54.6 6 8 A L G < S+ 0 0 15 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.687 90.7 88.4 -83.4 -18.9 67.7 7.0 54.9 7 9 A F < - 0 0 7 -3,-1.7 2,-0.4 -4,-0.4 190,-0.1 -0.642 64.5-147.0 -89.3 135.5 68.9 3.9 52.9 8 10 A E - 0 0 107 -2,-0.3 188,-0.4 188,-0.2 2,-0.3 -0.781 24.9-166.5 -94.0 141.5 70.7 0.9 54.2 9 11 A R - 0 0 76 -2,-0.4 2,-0.5 186,-0.1 186,-0.2 -0.906 20.0-141.3-130.8 158.0 73.2 -0.6 51.8 10 12 A E E -A 194 0A 83 184,-2.0 184,-2.2 -2,-0.3 2,-0.1 -0.975 23.2-136.5-121.2 118.4 75.2 -3.8 51.4 11 13 A E E +A 193 0A 117 -2,-0.5 2,-0.3 182,-0.2 182,-0.3 -0.424 28.2 174.0 -73.1 147.1 78.8 -3.4 50.1 12 14 A V - 0 0 24 180,-2.3 2,-0.2 -2,-0.1 -1,-0.0 -0.910 33.3-103.1-144.5 168.0 80.0 -5.9 47.4 13 15 A E > - 0 0 112 -2,-0.3 3,-2.3 178,-0.1 4,-0.4 -0.634 41.7-105.0 -92.0 157.9 83.0 -6.4 45.2 14 16 A L G > S+ 0 0 30 1,-0.3 3,-1.7 -2,-0.2 4,-0.1 0.840 118.2 65.5 -50.3 -38.1 82.8 -5.4 41.6 15 17 A E G > S+ 0 0 150 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.681 79.8 80.5 -61.7 -18.7 82.6 -9.1 40.6 16 18 A Y G < S+ 0 0 86 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.876 91.7 52.9 -54.7 -34.6 79.2 -9.4 42.4 17 19 A F G X S+ 0 0 0 -3,-1.7 3,-2.1 -4,-0.4 55,-0.4 0.421 78.0 131.5 -83.7 1.7 77.8 -7.8 39.3 18 20 A S T < S+ 0 0 61 -3,-2.1 53,-0.3 1,-0.3 52,-0.2 -0.315 78.5 12.3 -56.6 130.9 79.3 -10.4 36.9 19 21 A G T 3 S+ 0 0 59 51,-3.5 2,-0.4 1,-0.2 -1,-0.3 0.599 103.7 119.7 77.7 10.7 76.7 -11.7 34.5 20 22 A K < - 0 0 39 -3,-2.1 52,-2.7 50,-0.2 2,-0.4 -0.880 59.9-132.1-113.6 143.5 74.2 -9.0 35.4 21 23 A K E -b 72 0A 61 -2,-0.4 143,-2.4 50,-0.2 144,-1.5 -0.747 25.1-169.4 -89.6 135.6 72.5 -6.3 33.3 22 24 A I E -bc 73 165A 0 50,-1.7 52,-2.9 -2,-0.4 2,-1.1 -0.993 21.9-140.8-131.3 129.8 72.6 -2.8 34.7 23 25 A A E -bc 74 166A 0 142,-2.9 144,-2.6 -2,-0.4 2,-0.4 -0.786 29.1-158.7 -88.5 99.1 70.7 0.2 33.4 24 26 A V E -bc 75 167A 10 50,-1.9 52,-3.1 -2,-1.1 2,-0.9 -0.671 18.4-124.5 -84.3 130.9 73.3 2.9 33.9 25 27 A D E > -b 76 0A 2 142,-2.9 4,-2.2 -2,-0.4 5,-0.2 -0.643 23.0-161.5 -75.8 107.9 72.1 6.5 34.1 26 28 A A H > S+ 0 0 0 50,-1.9 4,-3.5 -2,-0.9 5,-0.3 0.903 83.9 53.1 -57.9 -47.6 74.2 8.1 31.4 27 29 A F H > S+ 0 0 79 49,-0.6 4,-2.9 1,-0.2 5,-0.2 0.940 111.0 45.1 -56.3 -51.4 73.8 11.7 32.6 28 30 A N H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 116.9 47.1 -60.2 -40.5 74.9 11.0 36.1 29 31 A T H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 114.3 45.1 -66.6 -48.1 77.9 8.9 34.7 30 32 A L H X S+ 0 0 1 -4,-3.5 4,-2.6 1,-0.2 5,-0.2 0.904 111.7 53.3 -63.6 -41.2 78.9 11.5 32.2 31 33 A Y H X S+ 0 0 75 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.886 108.7 49.8 -61.6 -38.9 78.6 14.3 34.7 32 34 A Q H X S+ 0 0 56 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.905 111.4 48.5 -66.0 -42.5 80.9 12.5 37.1 33 35 A F H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 112.6 47.2 -62.9 -47.7 83.5 11.9 34.4 34 36 A I H < S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.3 46.6 -61.6 -38.3 83.4 15.5 33.3 35 37 A S H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 122.2 31.1 -70.6 -47.3 83.7 16.7 36.9 36 38 A I H < S+ 0 0 104 -4,-2.8 2,-2.0 1,-0.2 -2,-0.2 0.846 99.5 75.9 -84.0 -40.4 86.5 14.4 38.1 37 39 A I S < S+ 0 0 40 -4,-2.5 8,-1.0 -5,-0.3 2,-0.3 -0.512 73.8 116.6 -80.2 79.8 88.7 13.8 35.1 38 40 A R B -G 44 0B 31 -2,-2.0 5,-0.2 6,-0.2 -3,-0.0 -0.956 69.2 -99.4-141.9 158.0 90.5 17.1 35.1 39 41 A Q > - 0 0 104 4,-3.9 3,-1.8 -2,-0.3 -1,-0.0 -0.166 51.6 -93.8 -68.2 172.0 94.0 18.4 35.6 40 42 A P T 3 S+ 0 0 112 0, 0.0 75,-0.5 0, 0.0 -1,-0.1 0.822 128.1 52.3 -61.1 -28.9 94.8 19.8 39.0 41 43 A D T 3 S- 0 0 67 73,-0.1 77,-0.1 2,-0.1 70,-0.1 0.384 127.0 -99.1 -87.8 5.6 93.9 23.4 37.9 42 44 A G S < S+ 0 0 0 -3,-1.8 61,-0.0 1,-0.3 -1,-0.0 0.220 72.9 147.9 99.6 -15.3 90.6 22.2 36.7 43 45 A T - 0 0 30 -5,-0.2 -4,-3.9 1,-0.1 -1,-0.3 -0.330 41.7-135.1 -58.0 126.2 91.4 21.9 33.0 44 46 A P B -G 38 0B 10 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.421 26.3 -94.3 -80.6 158.0 89.5 19.0 31.4 45 47 A L + 0 0 68 -8,-1.0 8,-2.7 -2,-0.1 9,-1.0 -0.518 58.5 166.8 -69.2 139.9 91.0 16.4 29.0 46 48 A K B -H 52 0C 106 6,-0.3 6,-0.2 7,-0.2 2,-0.1 -0.975 31.7-113.6-152.0 160.6 90.4 17.6 25.5 47 49 A D > - 0 0 8 4,-2.1 3,-2.1 -2,-0.3 245,-0.1 -0.215 48.9 -83.7 -87.7-175.8 91.6 16.9 21.9 48 50 A S T 3 S+ 0 0 99 1,-0.3 243,-0.1 2,-0.1 -1,-0.1 0.564 128.9 58.9 -65.7 -8.5 93.7 19.1 19.6 49 51 A Q T 3 S- 0 0 128 2,-0.2 -1,-0.3 242,-0.0 3,-0.1 0.335 118.2-109.2-102.6 5.8 90.5 20.8 18.6 50 52 A G S < S+ 0 0 46 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.505 71.5 142.4 81.1 4.3 89.6 21.9 22.1 51 53 A R - 0 0 73 1,-0.1 -4,-2.1 2,-0.0 -1,-0.3 -0.607 58.0-104.9 -82.6 137.8 86.7 19.5 22.5 52 54 A I B +H 46 0C 45 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.346 40.7 167.9 -61.9 132.7 86.2 17.8 25.8 53 55 A T > + 0 0 6 -8,-2.7 4,-2.1 2,-0.1 -7,-0.2 0.280 45.8 106.6-127.2 7.1 87.3 14.1 26.0 54 56 A S H > S+ 0 0 0 -9,-1.0 4,-1.9 1,-0.2 5,-0.1 0.895 84.3 45.8 -52.8 -47.2 87.1 13.6 29.8 55 57 A H H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.828 107.9 57.0 -68.2 -32.5 83.9 11.5 29.5 56 58 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 107.4 49.1 -66.8 -38.1 85.3 9.5 26.6 57 59 A S H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.928 111.9 48.7 -65.1 -45.5 88.3 8.5 28.8 58 60 A G H X>S+ 0 0 6 -4,-1.9 4,-2.8 -5,-0.2 5,-0.5 0.943 113.1 46.4 -59.5 -50.2 85.9 7.5 31.6 59 61 A I H X>S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.6 0.962 112.8 49.4 -57.5 -55.6 83.7 5.4 29.4 60 62 A L H X5S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-0.2 0.943 120.1 34.2 -49.6 -59.0 86.6 3.6 27.6 61 63 A Y H X5S+ 0 0 70 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.909 123.8 41.2 -69.9 -43.8 88.4 2.6 30.8 62 64 A R H X5S+ 0 0 63 -4,-2.8 4,-2.2 -5,-0.3 -3,-0.2 0.951 118.8 44.4 -70.7 -46.9 85.5 2.0 33.1 63 65 A V H XS+ 0 0 5 -4,-2.2 5,-2.8 1,-0.2 4,-0.5 0.933 111.6 45.4 -59.7 -45.1 83.1 -3.7 33.6 67 69 A V H ><5S+ 0 0 25 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.925 108.4 56.5 -63.0 -45.6 82.8 -5.9 30.6 68 70 A E H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.0 50.1 -54.2 -36.9 86.0 -7.8 31.4 69 71 A V H 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.600 126.1-104.0 -78.5 -12.5 84.5 -8.6 34.8 70 72 A G T <<5S+ 0 0 26 -3,-1.6 -51,-3.5 -4,-0.5 2,-0.2 0.563 71.8 143.5 101.8 9.9 81.3 -9.9 33.1 71 73 A I < - 0 0 3 -5,-2.8 -1,-0.3 -53,-0.3 -50,-0.2 -0.606 39.5-149.9 -83.3 144.4 79.0 -6.9 33.8 72 74 A R E -b 21 0A 114 -52,-2.7 -50,-1.7 -55,-0.4 2,-0.1 -0.740 18.2-169.9-118.5 84.2 76.5 -6.0 31.1 73 75 A P E -b 22 0A 1 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.436 11.2-166.6 -76.3 145.1 75.8 -2.3 31.2 74 76 A V E -b 23 0A 0 -52,-2.9 -50,-1.9 -2,-0.1 2,-0.3 -0.973 18.7-140.1-129.6 111.6 73.1 -0.6 29.3 75 77 A F E -bd 24 143A 3 67,-1.9 69,-3.0 -2,-0.4 2,-0.6 -0.589 10.4-155.9 -80.7 134.3 73.3 3.2 29.2 76 78 A V E -bd 25 144A 0 -52,-3.1 -50,-1.9 -2,-0.3 -49,-0.6 -0.929 8.5-159.3-112.0 114.2 70.1 5.2 29.5 77 79 A F E - d 0 145A 7 67,-2.9 69,-2.9 -2,-0.6 71,-0.1 -0.675 21.2-109.0 -94.1 147.8 70.1 8.7 28.1 78 80 A D - 0 0 58 -2,-0.3 71,-0.2 67,-0.2 2,-0.1 -0.236 25.9-161.1 -69.3 158.9 67.7 11.5 29.1 79 81 A G - 0 0 31 69,-2.1 69,-0.2 1,-0.3 71,-0.1 -0.148 55.8 -30.0-114.4-148.9 64.9 12.8 26.9 80 82 A E S S- 0 0 164 67,-0.9 -1,-0.3 -2,-0.1 69,-0.1 -0.506 70.3-120.9 -72.2 137.2 63.1 16.1 27.3 81 83 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.335 35.5 -89.0 -74.5 158.6 62.9 17.3 30.9 82 84 A P > - 0 0 16 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.465 35.9-116.2 -71.4 140.7 59.5 17.9 32.5 83 85 A E G > S+ 0 0 128 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.835 112.6 63.1 -40.1 -48.7 58.0 21.4 32.2 84 86 A F G 3 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.462 93.7 66.6 -62.6 1.6 58.2 22.1 35.9 85 87 A K G <> S+ 0 0 23 -3,-2.9 4,-2.7 1,-0.1 -1,-0.3 0.523 70.2 92.9-100.2 -7.1 62.0 21.7 35.7 86 88 A K H <> S+ 0 0 120 -3,-2.2 4,-1.9 -4,-0.3 -1,-0.1 0.864 84.0 53.5 -53.7 -40.7 62.6 24.8 33.6 87 89 A A H > S+ 0 0 75 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.937 112.0 42.3 -61.4 -49.9 63.2 27.0 36.7 88 90 A E H > S+ 0 0 42 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 111.9 55.9 -64.6 -40.7 65.8 24.7 38.2 89 91 A I H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.874 108.1 49.4 -59.3 -37.3 67.4 24.2 34.8 90 92 A E H X S+ 0 0 104 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.864 109.0 50.7 -71.7 -35.9 67.8 28.0 34.5 91 93 A E H X S+ 0 0 100 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.892 110.2 49.9 -68.2 -39.1 69.4 28.3 38.0 92 94 A R H X S+ 0 0 148 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.884 110.6 50.4 -64.8 -40.2 71.9 25.6 37.2 93 95 A K H X S+ 0 0 125 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.920 111.6 47.3 -64.1 -43.9 72.7 27.4 33.9 94 96 A K H X S+ 0 0 88 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.863 112.5 51.1 -65.8 -36.0 73.2 30.7 35.7 95 97 A R H X S+ 0 0 123 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.905 105.8 53.2 -67.9 -43.6 75.4 28.9 38.3 96 98 A R H X S+ 0 0 74 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.827 108.4 52.5 -61.1 -31.7 77.6 27.3 35.7 97 99 A A H X S+ 0 0 62 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.904 110.2 45.4 -71.2 -43.1 78.2 30.7 34.2 98 100 A E H X S+ 0 0 71 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.911 113.7 51.7 -65.6 -40.4 79.2 32.3 37.5 99 101 A A H X S+ 0 0 6 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.894 108.8 49.3 -62.1 -42.3 81.4 29.2 38.2 100 102 A E H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 110.6 51.7 -61.5 -46.9 83.1 29.6 34.8 101 103 A E H X S+ 0 0 131 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.919 112.3 44.7 -54.4 -50.4 83.7 33.2 35.5 102 104 A M H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.774 108.2 58.2 -68.7 -27.0 85.3 32.5 38.9 103 105 A W H X S+ 0 0 33 -4,-1.9 4,-2.3 14,-0.2 -2,-0.2 0.951 105.2 50.2 -66.8 -47.5 87.4 29.6 37.4 104 106 A I H X S+ 0 0 99 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.883 114.5 44.9 -55.7 -41.2 89.0 32.0 35.0 105 107 A A H X S+ 0 0 59 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.921 110.1 52.7 -70.3 -45.5 89.8 34.4 37.9 106 108 A A H X>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 4,-0.8 0.855 108.6 53.3 -58.0 -35.4 91.1 31.6 40.2 107 109 A L H <5S+ 0 0 66 -4,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.906 110.3 45.2 -66.6 -43.6 93.4 30.6 37.3 108 110 A Q H <5S+ 0 0 180 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 116.0 47.0 -68.7 -35.7 94.8 34.1 37.0 109 111 A A H <5S- 0 0 72 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.583 109.5-124.4 -81.6 -11.2 95.2 34.4 40.7 110 112 A G T <5 + 0 0 53 -4,-0.8 -3,-0.2 -3,-0.3 2,-0.2 0.819 42.2 179.8 71.5 30.0 96.8 31.0 41.0 111 113 A D > < - 0 0 79 -5,-2.6 3,-1.4 -6,-0.2 -1,-0.2 -0.473 28.9-141.7 -67.0 132.5 94.2 29.7 43.5 112 114 A K T 3 S+ 0 0 198 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.636 101.3 53.0 -70.1 -15.4 94.8 26.1 44.6 113 115 A D T >> + 0 0 66 1,-0.2 3,-1.1 2,-0.1 4,-0.7 0.070 69.1 119.0-107.4 24.9 91.1 25.4 44.6 114 116 A A H X> + 0 0 4 -3,-1.4 4,-1.5 1,-0.3 3,-1.1 0.865 66.0 68.7 -54.4 -37.4 90.6 26.7 41.1 115 117 A K H 3> S+ 0 0 68 -75,-0.5 4,-2.7 -3,-0.3 -1,-0.3 0.838 87.1 62.7 -51.8 -41.4 89.4 23.2 40.2 116 118 A K H <> S+ 0 0 98 -3,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.859 105.7 47.7 -56.2 -35.6 86.2 23.5 42.3 117 119 A Y H < S+ 0 0 52 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.895 108.0 50.7 -64.2 -42.8 83.9 21.4 38.2 120 122 A A H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.694 109.8 53.9 -69.5 -16.8 80.8 23.5 39.1 121 123 A A H 3< S+ 0 0 14 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.609 83.7 113.5 -91.5 -15.0 81.0 24.9 35.5 122 124 A G << - 0 0 8 -3,-0.8 2,-0.3 -4,-0.7 -87,-0.1 -0.167 44.2-172.0 -60.1 150.8 80.9 21.6 33.7 123 125 A R - 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0 0 13 -5,-2.7 2,-0.2 -6,-0.1 -1,-0.2 -0.879 55.2-133.3-132.8 163.4 56.9 3.2 54.4 207 221 A T > - 0 0 78 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.645 40.9-104.7-103.9 167.7 55.2 2.8 51.0 208 222 A R H > S+ 0 0 68 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.877 122.1 56.6 -63.2 -36.3 57.0 4.2 47.9 209 223 A E H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 107.0 48.8 -63.2 -36.9 54.6 7.2 47.8 210 224 A Q H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 109.0 53.2 -68.4 -39.1 55.6 8.1 51.4 211 225 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.918 108.2 50.3 -61.5 -42.9 59.3 7.8 50.5 212 226 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.934 109.1 51.7 -60.5 -45.8 58.7 10.2 47.6 213 227 A D H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.867 109.4 49.7 -60.2 -36.5 57.0 12.6 49.9 214 228 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.958 108.9 53.0 -66.1 -48.4 60.0 12.5 52.3 215 229 A A H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 3,-0.2 0.882 106.9 52.3 -52.2 -44.0 62.3 13.1 49.4 216 230 A I H >< S+ 0 0 5 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.892 105.9 54.0 -62.7 -40.3 60.4 16.2 48.4 217 231 A L H 3< S+ 0 0 1 -4,-1.7 9,-2.7 -3,-0.3 -1,-0.2 0.820 112.8 42.8 -63.7 -33.0 60.6 17.6 52.0 218 232 A V H 3< S- 0 0 17 -4,-1.6 7,-0.4 7,-0.2 -1,-0.2 0.466 125.6 -99.8 -92.6 -2.4 64.4 17.3 52.0 219 233 A G << - 0 0 21 -3,-0.8 -216,-0.3 -4,-0.6 2,-0.2 0.291 39.2-154.9 94.8 138.7 64.7 18.6 48.5 220 234 A T B > -I 223 0D 27 3,-1.4 3,-1.4 -4,-0.2 5,-0.1 -0.714 44.0 -80.4-134.1-174.1 65.1 16.9 45.1 221 235 A D T 3 S+ 0 0 51 1,-0.3 3,-0.1 -2,-0.2 -133,-0.0 0.511 132.3 42.4 -68.5 -3.4 66.5 17.6 41.6 222 236 A Y T 3 S+ 0 0 15 1,-0.2 2,-0.3 -134,-0.1 -1,-0.3 0.326 118.8 27.6-124.4 3.5 63.1 19.3 41.0 223 237 A N B < S-I 220 0D 39 -3,-1.4 -3,-1.4 -135,-0.0 2,-0.4 -0.997 72.2-104.6-164.1 160.2 62.6 21.3 44.2 224 238 A E - 0 0 146 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.706 40.3-126.1 -88.1 135.4 64.0 23.1 47.2 225 239 A G - 0 0 22 -7,-0.4 2,-0.4 -2,-0.4 -7,-0.2 -0.408 33.7 -88.1 -80.0 159.3 63.8 21.3 50.6 226 240 A V > - 0 0 26 -9,-2.7 3,-2.5 -10,-0.1 -1,-0.1 -0.529 50.3-108.3 -70.4 120.1 62.3 22.8 53.7 227 241 A K T 3 S+ 0 0 200 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.172 101.8 12.2 -49.1 130.5 64.9 24.7 55.6 228 242 A G T 3 S+ 0 0 77 1,-0.2 2,-0.7 -10,-0.1 -1,-0.3 0.299 96.5 121.5 84.2 -10.8 65.9 22.9 58.8 229 243 A V < - 0 0 13 -3,-2.5 -1,-0.2 -12,-0.2 2,-0.1 -0.789 39.2-176.2 -93.4 115.9 64.2 19.7 57.9 230 244 A G > - 0 0 37 -2,-0.7 4,-3.5 -3,-0.1 5,-0.2 -0.426 45.4 -94.2 -98.1 177.6 66.5 16.7 57.7 231 245 A V H > S+ 0 0 24 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.872 126.3 56.1 -60.1 -35.8 65.6 13.1 56.6 232 246 A K H > S+ 0 0 178 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 114.4 37.1 -61.1 -49.8 65.0 12.3 60.3 233 247 A K H > S+ 0 0 81 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.927 117.2 52.5 -68.3 -45.3 62.5 15.1 60.7 234 248 A A H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 5,-0.3 0.954 110.1 48.0 -54.6 -53.8 61.1 14.5 57.2 235 249 A L H X S+ 0 0 34 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.950 113.7 49.2 -50.1 -53.7 60.6 10.8 57.9 236 250 A N H X S+ 0 0 86 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.920 111.8 47.1 -52.4 -53.7 58.9 11.7 61.1 237 251 A Y H X S+ 0 0 54 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.837 112.7 48.1 -62.4 -36.0 56.6 14.3 59.6 238 252 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.903 112.9 48.1 -72.3 -39.6 55.5 12.1 56.7 239 253 A K H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.707 119.3 39.6 -72.2 -22.3 54.8 9.1 59.0 240 254 A T H < S+ 0 0 84 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.772 124.6 35.7 -96.5 -32.5 52.8 11.3 61.4 241 255 A Y H < S- 0 0 88 -4,-2.2 2,-1.4 -5,-0.2 5,-0.2 0.470 98.4-134.0 -99.4 -4.1 50.9 13.5 58.9 242 256 A G S < S+ 0 0 33 -4,-1.3 2,-0.3 -5,-0.1 -4,-0.1 -0.389 72.4 19.1 87.5 -61.5 50.4 10.8 56.3 243 257 A D S > S- 0 0 28 -2,-1.4 4,-1.0 -6,-0.1 5,-0.1 -0.879 83.7 -97.5-139.0 171.8 51.5 12.7 53.1 244 258 A I H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.851 115.6 60.3 -58.8 -38.8 53.4 15.8 52.0 245 259 A F H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.972 109.2 40.3 -53.9 -60.6 50.3 17.9 51.7 246 260 A R H > S+ 0 0 155 -5,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.641 116.5 54.8 -64.6 -15.0 49.3 17.6 55.4 247 261 A A H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.3 3,-0.4 0.921 109.1 42.1 -83.5 -51.4 53.0 17.9 56.3 248 262 A L H X>S+ 0 0 32 -4,-3.1 5,-1.9 1,-0.2 4,-0.6 0.762 110.3 61.7 -66.1 -24.2 53.7 21.2 54.5 249 263 A K H <5S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.879 109.8 39.2 -68.1 -37.9 50.3 22.3 55.9 250 264 A A H <5S+ 0 0 29 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.726 115.0 53.0 -83.0 -23.9 51.7 21.9 59.4 251 265 A L H <5S- 0 0 35 -4,-1.8 -2,-0.2 -5,-0.0 -1,-0.2 0.481 111.4-124.1 -88.5 -4.4 55.1 23.3 58.4 252 266 A K T <5 0 0 178 -4,-0.6 -3,-0.2 -3,-0.2 -4,-0.1 0.956 360.0 360.0 62.8 59.0 53.4 26.4 57.0 253 267 A V < 0 0 133 -5,-1.9 -4,-0.1 -27,-0.0 -5,-0.1 0.138 360.0 360.0 177.1 360.0 54.6 26.5 53.4 254 ! 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 0.0 255 272 A V > 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.5 54.7 20.0 44.2 256 273 A E H > + 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 360.0 53.9 -65.0 -38.1 51.8 17.7 43.2 257 274 A E H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 107.9 52.7 -59.5 -41.6 53.3 17.7 39.8 258 275 A I H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.943 111.6 41.2 -61.4 -53.3 56.6 16.6 41.4 259 276 A R H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.834 114.7 52.6 -68.5 -29.6 55.2 13.6 43.4 260 277 A N H X S+ 0 0 69 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.881 107.3 53.5 -70.6 -36.4 53.0 12.5 40.5 261 278 A F H < S+ 0 0 18 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.948 111.5 44.1 -61.8 -50.0 56.1 12.6 38.3 262 279 A F H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.8 46.7 -61.8 -37.6 58.0 10.3 40.7 263 280 A L H < S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 132.8 11.5 -73.2 -40.5 54.9 8.1 41.0 264 281 A N S < S+ 0 0 136 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 -0.572 82.5 176.2-141.8 72.3 54.0 7.7 37.3 265 282 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.370 41.8 -90.3 -80.3 157.0 56.9 9.1 35.1 266 283 A P + 0 0 63 0, 0.0 -118,-0.4 0, 0.0 2,-0.3 -0.504 61.0 156.9 -66.4 124.2 57.0 9.0 31.3 267 284 A V - 0 0 51 -2,-0.3 2,-0.3 -120,-0.1 -114,-0.1 -0.884 25.6-142.3-140.7 170.3 58.7 5.8 30.2 268 285 A T - 0 0 42 -2,-0.3 -112,-0.0 1,-0.1 0, 0.0 -0.981 18.6-159.3-142.3 155.3 58.8 3.6 27.1 269 286 A D + 0 0 95 -2,-0.3 2,-1.6 1,-0.0 -1,-0.1 0.539 65.9 106.6-103.2 -16.0 58.8 -0.0 26.0 270 287 A D + 0 0 149 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 -0.512 59.6 86.2 -72.1 89.1 60.1 0.6 22.5 271 288 A Y - 0 0 43 -2,-1.6 2,-0.4 -127,-0.1 -127,-0.1 -0.924 56.3-146.9-176.5 154.6 63.7 -0.6 22.9 272 289 A R - 0 0 164 -2,-0.3 2,-1.2 2,-0.1 -2,-0.0 -0.955 14.5-140.8-140.0 118.3 65.9 -3.7 22.6 273 290 A I + 0 0 38 -2,-0.4 2,-0.5 -131,-0.1 -129,-0.0 -0.634 35.9 162.1 -79.5 95.7 69.0 -4.4 24.7 274 291 A E - 0 0 95 -2,-1.2 2,-0.4 -131,-0.1 -131,-0.1 -0.932 27.0-152.7-122.9 110.5 71.4 -6.1 22.3 275 292 A F - 0 0 60 -2,-0.5 2,-0.2 -134,-0.1 -134,-0.2 -0.649 22.3-164.9 -79.8 131.0 75.1 -6.3 23.1 276 293 A R - 0 0 156 -136,-1.5 3,-0.0 -2,-0.4 -1,-0.0 -0.631 28.8 -87.0-114.2 171.6 77.2 -6.4 19.9 277 294 A E - 0 0 160 -2,-0.2 -137,-0.2 1,-0.1 2,-0.1 -0.592 54.6-111.1 -74.6 135.7 80.8 -7.3 18.9 278 295 A P - 0 0 18 0, 0.0 2,-1.2 0, 0.0 -139,-0.2 -0.437 14.8-132.5 -71.8 142.8 82.9 -4.1 19.3 279 296 A D > + 0 0 52 -141,-1.8 4,-2.6 -142,-0.2 5,-0.2 -0.740 26.9 179.5 -95.0 86.9 84.3 -2.5 16.1 280 297 A F H > S+ 0 0 64 -2,-1.2 4,-3.1 1,-0.2 5,-0.3 0.894 77.4 57.5 -55.0 -44.1 87.9 -2.1 17.2 281 298 A E H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 114.1 37.3 -53.0 -52.7 88.9 -0.5 13.9 282 299 A K H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.817 113.7 57.2 -72.0 -30.5 86.3 2.3 14.3 283 300 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -145,-0.2 5,-0.3 0.941 109.9 44.7 -64.7 -46.3 86.9 2.5 18.0 284 301 A I H X>S+ 0 0 19 -4,-3.1 4,-2.6 1,-0.2 5,-0.9 0.906 113.8 50.1 -63.2 -42.7 90.6 3.2 17.5 285 302 A E H <>S+ 0 0 86 -4,-1.9 5,-1.9 -5,-0.3 6,-0.2 0.892 113.2 45.7 -64.1 -40.9 89.8 5.7 14.7 286 303 A F H <>S+ 0 0 11 -4,-2.4 5,-0.7 3,-0.2 -2,-0.2 0.938 123.0 33.1 -68.3 -49.3 87.3 7.6 16.7 287 304 A L H <5S+ 0 0 0 -4,-2.4 6,-2.2 -5,-0.2 4,-0.2 0.928 131.4 29.5 -73.9 -49.4 89.4 7.9 19.9 288 305 A C T X5S+ 0 0 14 -4,-2.6 4,-1.4 -5,-0.3 -3,-0.2 0.983 129.2 31.3 -78.3 -63.5 92.8 8.1 18.4 289 306 A E T 4 - 0 0 56 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.559 26.3-144.7 -71.6 129.4 97.2 7.2 22.5 295 312 A R H > S+ 0 0 124 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.921 99.0 55.0 -60.3 -44.4 96.8 4.2 20.2 296 313 A E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 110.2 44.8 -54.3 -51.2 98.8 2.0 22.6 297 314 A R H > S+ 0 0 169 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 113.5 49.7 -60.4 -49.6 96.5 2.8 25.6 298 315 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.917 109.1 50.7 -56.9 -49.6 93.2 2.4 23.6 299 316 A E H X S+ 0 0 91 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.895 107.6 54.2 -58.1 -41.7 94.2 -1.0 22.2 300 317 A K H < S+ 0 0 166 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.891 114.0 41.6 -60.5 -40.3 95.1 -2.3 25.6 301 318 A A H >< S+ 0 0 5 -4,-1.7 3,-2.1 1,-0.2 4,-0.4 0.929 110.4 56.4 -72.6 -48.0 91.7 -1.3 26.9 302 319 A L H >< S+ 0 0 3 -4,-3.1 3,-2.3 1,-0.3 4,-0.2 0.841 94.9 65.5 -54.7 -37.9 89.7 -2.5 23.9 303 320 A E G >< S+ 0 0 121 -4,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.634 90.2 68.5 -63.1 -10.1 91.1 -6.1 24.2 304 321 A K G < S+ 0 0 60 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.731 87.9 65.5 -78.0 -22.0 89.2 -6.3 27.5 305 322 A L G < + 0 0 7 -3,-2.3 2,-2.2 -4,-0.4 -1,-0.2 0.509 68.4 115.0 -77.1 -5.0 86.0 -6.2 25.4 306 323 A K < 0 0 128 -3,-0.8 -1,-0.1 1,-0.2 -3,-0.1 -0.458 360.0 360.0 -71.3 81.7 86.9 -9.6 23.9 307 324 A A 0 0 112 -2,-2.2 -1,-0.2 -237,-0.0 -2,-0.1 0.115 360.0 360.0-170.1 360.0 84.0 -11.5 25.5