==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION, TRANSFERASE/DNA 16-MAY-07 2PYJ . COMPND 2 MOLECULE: 5'-D(GACTGCTTA(DOC)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.J.BERMAN,S.KAMTEKAR,J.L.GOODMAN,J.M.LAZARO,M.DE VEGA, . 1138 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 791 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 266 23.4 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 . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 . 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 . 99 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 0 0 2 5 0 2 2 1 3 2 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 4 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 . 9 5 3 1 6 8 5 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 2 0 0 2 0 0 2 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 5 A P 0 0 181 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.2 -9.5 11.4 25.7 2 6 A R - 0 0 86 1,-0.1 50,-0.1 50,-0.1 2,-0.1 -0.428 360.0-119.3 -74.2 139.9 -9.2 8.2 23.7 3 7 A K - 0 0 90 48,-0.3 50,-2.9 47,-0.2 2,-0.4 -0.426 23.9-143.8 -74.5 154.3 -12.1 5.7 23.8 4 8 A M E -a 53 0A 33 48,-0.2 24,-2.5 -2,-0.1 25,-0.5 -0.983 14.7-170.8-127.0 131.4 -11.6 2.2 25.2 5 9 A Y E -aB 54 27A 2 48,-2.5 50,-2.4 -2,-0.4 2,-0.5 -0.963 19.9-141.6-125.4 138.0 -13.1 -1.1 23.9 6 10 A S E -aB 55 26A 2 20,-2.9 20,-1.8 -2,-0.4 2,-0.3 -0.863 35.4-176.2 -89.7 128.8 -13.3 -4.6 25.2 7 11 A C E +aB 56 25A 5 48,-3.4 50,-0.6 -2,-0.5 2,-0.3 -0.880 15.3 178.7-130.3 156.1 -12.9 -7.0 22.2 8 12 A A E - B 0 24A 20 16,-2.3 16,-2.5 -2,-0.3 2,-0.3 -0.993 12.4-151.6-153.2 150.3 -13.0 -10.8 21.4 9 13 A F E - B 0 23A 18 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.923 6.9-152.1-114.3 151.3 -12.7 -13.2 18.5 10 14 A E E - B 0 22A 13 12,-3.0 11,-2.8 -2,-0.3 12,-1.7 -0.993 29.7-173.3-115.6 128.3 -14.1 -16.6 18.0 11 15 A T E - B 0 20A 12 -2,-0.5 9,-0.2 9,-0.3 2,-0.1 -0.826 25.3-109.0-126.4 158.6 -11.9 -18.7 15.7 12 16 A T - 0 0 16 7,-2.6 133,-0.1 -2,-0.3 135,-0.1 -0.408 20.7-143.1 -79.6 164.4 -11.8 -22.1 13.9 13 17 A T + 0 0 77 131,-0.3 2,-0.4 -2,-0.1 5,-0.1 0.275 59.4 110.0-118.7 7.5 -9.4 -24.8 15.1 14 18 A K B > -H 17 0B 116 3,-0.6 3,-0.9 1,-0.1 -2,-0.1 -0.732 59.0-145.2 -94.5 135.0 -8.2 -26.5 11.9 15 19 A V T 3 S+ 0 0 64 -2,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.891 104.7 46.8 -62.5 -38.9 -4.5 -26.0 10.6 16 20 A E T 3 S+ 0 0 152 1,-0.2 -1,-0.2 538,-0.1 -2,-0.0 0.533 123.9 32.4 -78.9 -10.3 -5.8 -26.1 7.0 17 21 A D B < S+H 14 0B 61 -3,-0.9 2,-0.6 2,-0.0 -3,-0.6 -0.434 73.9 163.2-149.2 67.1 -8.6 -23.6 7.7 18 22 A C + 0 0 10 537,-0.6 2,-0.3 -3,-0.5 -5,-0.1 -0.803 21.4 125.4 -98.5 115.5 -7.7 -21.1 10.4 19 23 A R - 0 0 47 -2,-0.6 -7,-2.6 539,-0.1 2,-0.3 -0.993 60.5 -93.1-161.6 159.1 -9.9 -18.0 10.6 20 24 A V E +B 11 0A 12 -2,-0.3 20,-0.4 -9,-0.2 -9,-0.3 -0.644 31.3 175.5 -72.5 130.1 -12.1 -15.7 12.7 21 25 A W E + 0 0 5 -11,-2.8 2,-0.3 -2,-0.3 -10,-0.2 0.506 69.8 20.0-110.7 -13.7 -15.8 -16.7 12.4 22 26 A A E -B 10 0A 0 -12,-1.7 -12,-3.0 16,-0.1 -1,-0.3 -0.988 61.1-176.7-151.6 148.8 -17.1 -14.1 15.0 23 27 A Y E -BC 9 37A 3 14,-2.5 14,-2.1 -2,-0.3 2,-0.3 -0.971 3.8-169.2-137.5 157.1 -15.9 -10.9 16.6 24 28 A G E -BC 8 36A 0 -16,-2.5 -16,-2.3 -2,-0.3 2,-0.3 -0.995 5.0-178.2-143.1 146.8 -17.2 -8.6 19.2 25 29 A Y E -BC 7 35A 32 10,-2.1 10,-2.1 -2,-0.3 2,-0.3 -0.987 3.5-176.9-136.7 150.1 -16.4 -5.2 20.6 26 30 A M E -BC 6 34A 0 -20,-1.8 -20,-2.9 -2,-0.3 2,-0.3 -0.966 32.4-116.5-147.1 127.9 -17.9 -3.1 23.4 27 31 A N E > -BC 5 30A 9 6,-3.2 3,-0.9 3,-0.6 -22,-0.3 -0.482 22.4-147.1 -59.8 122.9 -17.2 0.4 24.6 28 32 A I T 3 S+ 0 0 0 -24,-2.5 3,-0.2 -2,-0.3 -1,-0.2 0.770 99.8 42.8 -66.3 -28.6 -15.9 -0.1 28.2 29 33 A E T 3 S+ 0 0 124 -25,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.367 126.2 31.7 -98.6 2.0 -17.5 3.2 29.3 30 34 A D E X -C 27 0A 73 -3,-0.9 3,-1.7 3,-0.2 -3,-0.6 -0.588 59.8-172.0-160.9 93.9 -20.8 2.6 27.4 31 35 A H E 3 S+ 0 0 58 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.713 84.2 70.0 -63.6 -23.1 -22.1 -1.0 26.9 32 36 A S E 3 S+ 0 0 92 1,-0.2 2,-1.3 -6,-0.1 -1,-0.3 0.783 85.9 74.4 -63.9 -28.9 -24.8 0.2 24.5 33 37 A E E < S+ 0 0 54 -3,-1.7 -6,-3.2 -6,-0.2 2,-0.3 -0.709 74.9 116.4 -87.2 89.1 -22.0 0.9 22.0 34 38 A Y E -C 26 0A 65 -2,-1.3 2,-0.3 -8,-0.2 -8,-0.2 -0.910 39.9-167.7-144.5 170.6 -21.2 -2.7 21.0 35 39 A K E -C 25 0A 86 -10,-2.1 -10,-2.1 -2,-0.3 2,-0.4 -0.909 5.7-165.4-166.0 137.2 -21.3 -4.9 17.9 36 40 A I E +C 24 0A 12 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.980 23.7 156.2-125.4 137.0 -20.9 -8.6 17.1 37 41 A G E -C 23 0A 10 -14,-2.1 -14,-2.5 -2,-0.4 -2,-0.0 -0.929 45.9-120.9-154.7 176.5 -20.4 -9.9 13.6 38 42 A N S S+ 0 0 41 -2,-0.3 2,-0.4 -16,-0.2 113,-0.4 0.140 81.1 82.8-114.2 18.9 -19.0 -12.8 11.5 39 43 A S > - 0 0 38 1,-0.1 4,-1.8 -16,-0.1 5,-0.1 -0.975 51.9-163.1-134.3 119.6 -16.3 -11.0 9.4 40 44 A L H > S+ 0 0 28 -2,-0.4 4,-3.0 -20,-0.4 5,-0.2 0.853 98.8 58.8 -62.0 -36.5 -12.7 -10.2 10.3 41 45 A D H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 106.5 47.2 -56.5 -46.2 -12.7 -7.7 7.4 42 46 A E H > S+ 0 0 85 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.863 113.3 48.2 -66.0 -39.5 -15.7 -5.9 8.9 43 47 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.923 111.6 49.1 -65.5 -45.5 -14.0 -5.8 12.3 44 48 A M H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.787 104.7 58.1 -69.8 -29.5 -10.6 -4.5 10.9 45 49 A A H X S+ 0 0 46 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.917 110.2 45.2 -59.5 -44.2 -12.3 -1.8 8.9 46 50 A W H X S+ 0 0 35 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.898 109.6 56.3 -64.7 -41.4 -13.7 -0.5 12.2 47 51 A V H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 5,-0.3 0.926 107.9 46.8 -54.9 -49.1 -10.3 -1.0 13.8 48 52 A L H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 120.4 38.9 -68.8 -26.0 -8.6 1.3 11.3 49 53 A K H < S+ 0 0 159 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.768 101.2 69.9 -92.0 -29.5 -11.3 4.0 11.6 50 54 A V H < S- 0 0 31 -4,-2.7 -47,-0.2 -5,-0.1 -2,-0.1 0.755 73.5-158.9 -71.6 -24.8 -12.0 3.9 15.4 51 55 A Q < + 0 0 71 -4,-0.8 -48,-0.3 -5,-0.2 2,-0.2 0.918 49.9 120.4 47.4 52.9 -8.7 5.5 16.5 52 56 A A S S- 0 0 0 -5,-0.3 62,-2.1 -50,-0.1 2,-0.6 -0.660 71.3 -88.8-133.3-177.1 -9.1 4.0 20.0 53 57 A D E -ad 4 114A 28 -50,-2.9 -48,-2.5 -2,-0.2 2,-0.3 -0.920 42.4-165.9-102.1 122.1 -7.6 1.7 22.6 54 58 A L E -ad 5 115A 0 60,-3.3 62,-3.4 -2,-0.6 2,-0.4 -0.840 6.8-157.6-111.1 147.0 -8.7 -1.9 22.3 55 59 A Y E -ad 6 116A 12 -50,-2.4 -48,-3.4 -2,-0.3 2,-0.4 -0.995 8.5-177.8-124.6 126.5 -8.3 -4.8 24.7 56 60 A F E > -ad 7 117A 3 60,-2.1 62,-2.5 -2,-0.4 2,-0.9 -0.936 32.1-121.6-113.2 146.1 -8.3 -8.5 23.9 57 61 A H T 3 S+ 0 0 45 -50,-0.6 5,-0.1 -2,-0.4 60,-0.1 -0.806 102.1 11.1 -90.8 108.0 -8.1 -11.1 26.6 58 62 A N T >> S- 0 0 70 -2,-0.9 3,-1.5 38,-0.1 4,-1.4 0.909 74.0-170.2 79.4 68.4 -5.0 -13.1 25.5 59 63 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.3 5,-0.2 0.762 79.2 71.2 -57.0 -30.1 -3.6 -10.7 22.9 60 64 A K H 3> S+ 0 0 96 36,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.856 106.3 37.9 -55.5 -36.0 -1.1 -13.4 21.9 61 65 A F H X> S+ 0 0 64 -3,-1.5 3,-1.0 2,-0.2 4,-0.9 0.977 123.0 36.7 -80.7 -63.4 -3.9 -15.4 20.4 62 66 A A H >X S+ 0 0 6 -4,-1.4 4,-2.0 1,-0.3 3,-0.6 0.877 111.1 64.6 -58.0 -40.4 -6.2 -12.7 18.8 63 67 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.3 0.774 94.4 58.7 -52.0 -36.8 -3.1 -10.7 17.8 64 68 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.8 0.905 108.7 50.0 -58.1 -46.2 -2.6 -6.6 8.4 71 75 A E H 3<5S+ 0 0 46 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.731 112.3 49.2 -65.5 -26.6 0.2 -8.3 6.4 72 76 A R H 3<5S+ 0 0 117 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.585 110.3 51.7 -86.0 -15.3 -2.4 -9.3 3.8 73 77 A N T <<5S- 0 0 81 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 -0.077 126.0 -82.5-120.1 32.6 -3.9 -5.8 3.5 74 78 A G T 5S+ 0 0 60 -3,-0.4 2,-0.3 1,-0.3 -3,-0.2 0.501 84.8 128.2 91.6 6.0 -0.8 -3.7 2.9 75 79 A F < - 0 0 14 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.753 34.2-169.7 -92.6 141.0 0.7 -3.1 6.3 76 80 A K E -e 85 0A 128 8,-1.1 10,-1.9 -2,-0.3 2,-0.3 -0.872 32.1 -97.1-118.7 161.5 4.3 -3.8 7.2 77 81 A W E +e 86 0A 75 -2,-0.3 2,-0.3 8,-0.2 10,-0.2 -0.604 49.6 164.8 -77.1 135.6 6.0 -3.9 10.6 78 82 A S - 0 0 15 8,-2.7 3,-0.3 -2,-0.3 7,-0.0 -0.962 37.8-159.1-152.3 137.3 7.8 -0.7 11.6 79 83 A A S S+ 0 0 55 -2,-0.3 8,-0.1 1,-0.2 -1,-0.1 0.586 91.9 69.1 -81.6 -12.5 9.2 0.7 14.8 80 84 A D S S- 0 0 131 6,-0.1 -1,-0.2 1,-0.0 7,-0.1 0.599 103.0-120.8 -86.8 -15.2 9.1 4.3 13.3 81 85 A G + 0 0 6 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.885 48.1 171.8 74.7 39.9 5.3 4.7 13.1 82 86 A L > - 0 0 83 1,-0.1 3,-0.9 4,-0.1 20,-0.2 -0.406 44.1 -80.3 -75.8 156.7 5.1 5.2 9.3 83 87 A P T 3 S+ 0 0 63 0, 0.0 20,-0.2 0, 0.0 21,-0.2 -0.277 117.1 15.8 -54.9 142.0 1.8 5.4 7.4 84 88 A N T 3 S+ 0 0 89 18,-0.9 -8,-1.1 1,-0.2 2,-0.3 0.876 106.7 111.3 57.4 41.0 0.3 2.0 6.7 85 89 A T E < -eF 76 102A 0 17,-1.2 17,-2.8 -3,-0.9 2,-0.3 -0.911 52.8-146.7-132.3 165.4 2.6 0.3 9.3 86 90 A Y E -eF 77 101A 1 -10,-1.9 -8,-2.7 -2,-0.3 2,-0.3 -0.978 5.7-154.2-131.0 148.1 2.1 -1.4 12.7 87 91 A N E - F 0 100A 38 13,-2.4 13,-3.1 -2,-0.3 2,-0.3 -0.839 13.5-163.7-114.4 156.0 4.4 -1.6 15.7 88 92 A T E - F 0 99A 11 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.935 23.1-147.9-135.0 157.2 4.5 -4.3 18.4 89 93 A I E + F 0 98A 74 9,-2.0 8,-3.0 -2,-0.3 9,-1.2 -0.931 37.8 152.0-120.3 103.4 5.7 -5.1 21.8 90 94 A I E - F 0 96A 6 -2,-0.4 308,-2.3 308,-0.2 6,-0.2 -0.985 35.8-136.7-131.1 118.3 6.5 -8.8 21.9 91 95 A S B > -I 397 0C 26 4,-2.4 3,-2.0 -2,-0.4 306,-0.2 -0.153 25.9-102.7 -74.9 167.6 9.2 -9.8 24.3 92 96 A R T 3 S+ 0 0 116 304,-0.6 -1,-0.1 1,-0.3 305,-0.1 0.770 125.0 56.6 -51.4 -32.9 12.1 -12.3 23.8 93 97 A M T 3 S- 0 0 153 2,-0.1 -1,-0.3 305,-0.0 -2,-0.1 0.378 124.2-105.0 -84.1 2.8 10.0 -14.7 25.9 94 98 A G < + 0 0 6 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.679 68.2 150.8 81.7 21.0 7.1 -14.4 23.4 95 99 A Q - 0 0 81 -35,-0.0 -4,-2.4 2,-0.0 2,-0.5 -0.740 36.6-144.4 -87.3 129.1 4.9 -12.2 25.6 96 100 A W E +F 90 0A 5 -2,-0.4 -36,-0.2 -6,-0.2 -6,-0.2 -0.827 32.9 155.1 -97.5 127.1 2.5 -9.9 23.7 97 101 A Y E + 0 0 64 -8,-3.0 20,-0.7 -2,-0.5 2,-0.3 0.657 60.3 10.3-117.5 -31.2 1.8 -6.4 25.2 98 102 A M E -FG 89 116A 23 -9,-1.2 -9,-2.0 18,-0.2 2,-0.4 -0.996 37.7-167.4-157.5 141.4 0.9 -4.1 22.3 99 103 A I E -FG 88 115A 0 16,-1.6 16,-2.8 -2,-0.3 2,-0.6 -0.978 18.9-168.4-124.8 119.8 -0.1 -3.8 18.6 100 104 A D E -FG 87 114A 18 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.7 -0.895 3.2-163.4-114.5 104.5 0.0 -0.2 17.4 101 105 A I E -FG 86 113A 0 12,-2.7 12,-1.9 -2,-0.6 2,-0.5 -0.772 6.6-159.2 -95.4 114.2 -1.6 0.3 14.0 102 106 A C E +FG 85 112A 1 -17,-2.8 -17,-1.2 -2,-0.7 -18,-0.9 -0.800 22.7 175.6-101.5 125.5 -0.6 3.5 12.3 103 107 A L E - 0 0 60 8,-3.3 2,-0.3 -2,-0.5 9,-0.2 0.604 60.6 -93.5 -94.2 -17.3 -2.7 5.1 9.5 104 108 A G E - G 0 111A 7 7,-1.0 7,-3.5 -21,-0.2 -1,-0.4 -0.940 48.2 -61.2 136.6-159.8 -0.6 8.2 9.3 105 109 A Y E - G 0 110A 107 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.966 14.0-151.8-130.7 141.5 -0.5 11.7 10.8 106 110 A K E > S- G 0 109A 149 3,-2.5 3,-1.7 -2,-0.4 2,-0.6 -0.929 86.6 -48.3-103.3 100.3 -2.7 14.8 10.8 107 111 A G T 3 S- 0 0 73 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 -0.655 122.3 -27.0 70.7-114.3 0.0 17.3 11.3 108 112 A K T 3 S+ 0 0 209 -2,-0.6 2,-0.6 -3,-0.1 -1,-0.2 0.307 115.9 104.4-111.0 4.0 2.1 15.9 14.2 109 113 A R E < S- G 0 106A 141 -3,-1.7 -3,-2.5 1,-0.0 2,-0.2 -0.796 72.5-126.2 -95.5 121.4 -0.8 14.0 15.7 110 114 A K E - G 0 105A 47 -2,-0.6 2,-0.8 -5,-0.2 -5,-0.2 -0.453 9.3-148.0 -71.8 130.4 -0.7 10.2 15.1 111 115 A I E + G 0 104A 15 -7,-3.5 -8,-3.3 -2,-0.2 -7,-1.0 -0.880 49.1 128.9 -97.0 104.2 -3.7 8.6 13.6 112 116 A H E - G 0 102A 32 -2,-0.8 2,-0.4 -10,-0.2 -10,-0.2 -0.989 53.4-136.0-157.0 158.6 -3.7 5.1 15.1 113 117 A T E - G 0 101A 0 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.4 -0.980 23.4-154.8-119.4 133.7 -5.4 2.3 17.0 114 118 A V E -dG 53 100A 5 -62,-2.1 -60,-3.3 -2,-0.4 2,-0.5 -0.936 2.2-158.0-115.1 134.2 -3.6 0.6 19.9 115 119 A I E -dG 54 99A 0 -16,-2.8 -16,-1.6 -2,-0.4 -60,-0.2 -0.946 13.6-175.0-118.5 124.4 -4.4 -3.0 21.0 116 120 A Y E -dG 55 98A 39 -62,-3.4 -60,-2.1 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-2,-0.2 2,-0.4 31,-0.0 -1,-0.1 -0.435 50.5-177.7 -67.3 132.1 -23.1 -11.5 35.4 137 141 A V - 0 0 58 -2,-0.2 2,-0.3 -7,-0.1 24,-0.1 -0.997 21.8-132.7-137.1 129.5 -22.0 -14.8 33.7 138 142 A L - 0 0 67 -2,-0.4 2,-0.2 22,-0.1 -2,-0.0 -0.613 27.5-117.7 -77.8 136.8 -24.0 -17.0 31.4 139 143 A K S S+ 0 0 195 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.534 75.7 24.8 -70.9 139.5 -24.0 -20.7 32.1 140 144 A G S S- 0 0 32 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.320 73.2-104.1 99.2-179.6 -22.5 -22.8 29.3 141 145 A D - 0 0 117 -2,-0.1 2,-0.2 0, 0.0 17,-0.0 -0.954 26.7 -94.7-145.2 157.3 -20.0 -22.4 26.4 142 146 A I - 0 0 11 -2,-0.3 2,-1.0 16,-0.1 3,-0.1 -0.555 43.4-119.0 -68.8 137.8 -19.6 -22.0 22.7 143 147 A D > - 0 0 90 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 -0.754 31.0-177.2 -81.9 105.1 -19.0 -25.4 21.0 144 148 A Y T 3 S+ 0 0 91 -2,-1.0 -131,-0.3 1,-0.2 -1,-0.2 0.654 75.9 66.4 -79.2 -16.2 -15.6 -24.9 19.4 145 149 A H T 3 S+ 0 0 176 -3,-0.1 -1,-0.2 -133,-0.1 2,-0.2 0.502 77.6 111.8 -81.6 -6.2 -15.6 -28.3 17.7 146 150 A K S < 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A P H > S+ 0 0 116 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.873 121.2 51.2 -55.6 -36.6 -28.6 -16.1 19.3 157 161 A E H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.918 110.6 45.9 -68.0 -46.8 -26.8 -18.2 21.9 158 162 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 111.6 53.6 -61.2 -43.6 -23.3 -17.7 20.5 159 163 A Y H X S+ 0 0 82 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.938 108.8 48.8 -53.7 -52.0 -24.1 -14.0 20.2 160 164 A A H X S+ 0 0 39 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.854 110.8 50.9 -59.8 -39.1 -25.1 -13.8 23.9 161 165 A Y H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.928 111.7 46.2 -65.1 -47.0 -21.9 -15.7 24.9 162 166 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.932 114.1 48.6 -60.4 -46.7 -19.6 -13.3 22.9 163 167 A K H X S+ 0 0 64 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.893 112.4 48.7 -60.4 -44.6 -21.4 -10.3 24.3 164 168 A N H X S+ 0 0 16 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.942 110.4 51.5 -58.9 -51.0 -21.2 -11.6 27.8 165 169 A D H X S+ 0 0 35 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.902 113.4 42.8 -54.1 -49.5 -17.4 -12.4 27.4 166 170 A I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.830 114.9 51.4 -70.1 -29.7 -16.6 -8.8 26.2 167 171 A Q H X S+ 0 0 48 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.889 105.8 53.8 -74.4 -41.1 -18.8 -7.3 28.9 168 172 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.946 114.2 42.1 -54.9 -50.8 -17.2 -9.2 31.8 169 173 A I H X S+ 0 0 5 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.909 113.8 52.3 -65.2 -41.8 -13.8 -8.0 30.7 170 174 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 112.7 45.8 -57.7 -45.8 -15.2 -4.4 30.1 171 175 A E H X S+ 0 0 45 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.873 114.5 46.3 -66.7 -43.0 -16.7 -4.4 33.6 172 176 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.892 112.3 50.3 -67.0 -44.2 -13.6 -5.7 35.3 173 177 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.900 111.1 49.6 -59.6 -42.3 -11.2 -3.3 33.4 174 178 A L H X S+ 0 0 42 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.876 106.7 55.3 -66.4 -39.1 -13.5 -0.4 34.4 175 179 A I H X S+ 0 0 62 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.928 113.9 41.4 -55.5 -45.7 -13.5 -1.5 38.1 176 180 A Q H ><>S+ 0 0 19 -4,-1.9 5,-2.5 2,-0.2 3,-0.8 0.909 112.2 54.7 -70.6 -43.5 -9.7 -1.4 38.0 177 181 A F H ><5S+ 0 0 28 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.914 106.3 51.5 -54.8 -45.2 -9.6 1.9 36.0 178 182 A K H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.682 105.0 57.0 -71.4 -17.6 -11.8 3.7 38.5 179 183 A Q T <<5S- 0 0 129 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.474 125.1-104.8 -83.4 -5.3 -9.4 2.5 41.3 180 184 A G T < 5S+ 0 0 38 -3,-1.7 2,-1.5 -4,-0.4 -3,-0.2 0.535 83.5 132.0 90.1 8.9 -6.5 4.2 39.4 181 185 A L < + 0 0 22 -5,-2.5 -1,-0.1 1,-0.2 -3,-0.1 -0.611 23.9 136.2 -90.1 75.1 -5.1 0.9 38.1 182 186 A D + 0 0 84 -2,-1.5 -1,-0.2 -5,-0.1 -5,-0.1 0.366 26.4 110.2-110.4 2.1 -4.9 2.3 34.5 183 187 A R S S- 0 0 112 -3,-0.2 6,-0.1 2,-0.2 -3,-0.0 -0.275 81.1-105.9 -78.1 168.0 -1.5 1.1 33.3 184 188 A M S S+ 0 0 64 4,-0.0 2,-0.3 -2,-0.0 -67,-0.2 0.683 98.9 27.6 -74.2 -16.2 -1.1 -1.5 30.5 185 189 A T S > S- 0 0 19 1,-0.1 4,-2.0 -64,-0.1 -64,-0.3 -0.965 75.6-118.3-139.6 157.5 -0.0 -4.2 33.0 186 190 A A H > S+ 0 0 7 -66,-2.4 4,-2.2 -2,-0.3 -65,-0.1 0.917 117.0 52.4 -52.0 -50.7 -0.4 -5.2 36.7 187 191 A G H > S+ 0 0 12 -67,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.860 107.7 50.8 -56.2 -40.9 3.4 -4.8 37.2 188 192 A S H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.4 48.4 -67.1 -40.4 3.3 -1.4 35.7 189 193 A D H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.864 110.0 56.2 -62.9 -37.3 0.5 -0.3 38.1 190 194 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.951 110.4 40.1 -60.7 -55.6 2.6 -1.9 40.9 191 195 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 117.2 49.9 -63.3 -43.0 5.8 0.2 40.3 192 196 A K H X S+ 0 0 59 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 110.1 51.1 -59.8 -48.7 3.8 3.4 39.6 193 197 A G H X S+ 0 0 20 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.856 110.1 49.1 -56.1 -41.1 1.8 2.8 42.8 194 198 A F H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.903 111.5 49.3 -64.3 -43.2 5.0 2.4 44.8 195 199 A K H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.842 106.5 56.6 -65.2 -35.1 6.4 5.6 43.3 196 200 A D H < S+ 0 0 109 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.901 110.1 46.2 -60.0 -42.1 3.1 7.4 44.1 197 201 A I H < S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.945 124.9 27.6 -67.7 -51.7 3.6 6.5 47.8 198 202 A I H < S- 0 0 39 -4,-2.3 4,-0.3 1,-0.1 -2,-0.2 0.633 114.1-116.4 -88.5 -11.1 7.3 7.4 48.2 199 203 A T X - 0 0 73 -4,-2.0 4,-2.2 -5,-0.3 -3,-0.1 0.324 16.4-102.3 80.1 146.1 7.3 10.2 45.5 200 204 A T H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 119.9 58.9 -67.3 -35.6 9.3 10.1 42.3 201 205 A K H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 110.0 42.9 -59.4 -44.6 11.8 12.6 43.7 202 206 A K H > S+ 0 0 105 -4,-0.3 4,-3.0 2,-0.2 5,-0.4 0.901 110.3 56.3 -70.1 -41.4 12.7 10.2 46.5 203 207 A F H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.938 107.6 49.3 -53.5 -49.2 12.7 7.2 44.2 204 208 A K H < S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.9 43.1 -59.0 -39.2 15.3 8.9 42.0 205 209 A K H < S+ 0 0 158 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.924 121.5 36.7 -72.0 -48.6 17.5 9.7 45.1 206 210 A V 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-0.925 39.8 -75.7-146.9 162.4 16.9 -61.6 39.1 713 146 B I - 0 0 10 -2,-0.3 2,-1.6 1,-0.1 -2,-0.0 -0.276 57.8 -96.9 -66.2 155.7 15.0 -64.3 37.3 714 147 B D > - 0 0 38 2,-0.1 3,-0.7 -2,-0.0 2,-0.2 -0.531 55.9-179.1 -91.7 76.5 15.2 -67.8 38.7 715 148 B Y T 3 + 0 0 97 -2,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.629 56.5 35.6 -91.5 166.1 17.9 -69.9 36.9 716 149 B H T 3 S+ 0 0 166 -2,-0.2 -1,-0.3 1,-0.1 2,-0.1 -0.655 88.5 121.1-100.3 47.5 19.1 -72.5 36.8 717 150 B K < - 0 0 94 -3,-0.7 2,-0.2 1,-0.1 -1,-0.1 -0.348 64.4-111.3 -68.9 144.7 15.7 -73.9 37.6 718 151 B E - 0 0 167 -3,-0.1 -1,-0.1 -2,-0.1 -135,-0.0 -0.546 29.8-177.3 -86.5 146.1 14.1 -76.3 35.1 719 152 B R - 0 0 14 -2,-0.2 3,-0.1 4,-0.1 4,-0.1 -0.833 15.1-150.6-144.7 95.8 11.0 -75.4 33.1 720 153 B P > - 0 0 77 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.086 45.3 -67.3 -64.2 167.9 9.6 -78.2 30.8 721 154 B V T 3 S+ 0 0 122 1,-0.3 -129,-0.1 2,-0.0 -131,-0.0 -0.379 129.3 25.9 -58.7 128.1 7.7 -77.4 27.6 722 155 B G T 3 S+ 0 0 52 -113,-0.3 -1,-0.3 1,-0.2 -112,-0.1 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114.7 46.7 -68.3 -45.4 11.4 -46.1 28.8 743 176 B A H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.901 114.9 46.3 -65.4 -43.5 15.2 -45.6 27.9 744 177 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.888 111.0 52.9 -64.8 -40.7 14.5 -45.9 24.1 745 178 B L H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.925 110.5 47.5 -60.1 -45.2 11.5 -43.5 24.4 746 179 B I H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.911 110.6 51.1 -61.5 -45.4 13.7 -41.0 26.1 747 180 B Q H ><>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.915 109.4 51.9 -57.4 -42.6 16.5 -41.4 23.4 748 181 B F H ><5S+ 0 0 33 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.900 107.9 50.5 -62.6 -40.7 13.8 -40.9 20.8 749 182 B K H 3<5S+ 0 0 71 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 106.6 56.6 -69.3 -19.6 12.7 -37.6 22.5 750 183 B Q T <<5S- 0 0 90 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.381 125.4-105.6 -89.1 0.7 16.3 -36.6 22.5 751 184 B G T < 5S+ 0 0 28 -3,-1.5 2,-1.1 1,-0.2 -3,-0.2 0.559 80.1 132.9 89.9 10.1 16.4 -37.1 18.7 752 185 B L < + 0 0 14 -5,-2.7 -1,-0.2 -6,-0.2 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