==== 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 2PYL . COMPND 2 MOLECULE: 5'-D(GACTGCTTAC(2DA))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.J.BERMAN,S.KAMTEKAR,J.L.GOODMAN,J.M.LAZARO,M.DE VEGA, . 571 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 23.8 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 45 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 3 0 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 . 4 1 3 0 3 4 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 0 1 0 1 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 5 A P 0 0 186 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.2 -10.9 27.4 -30.0 2 6 A R - 0 0 76 1,-0.1 50,-0.1 50,-0.0 2,-0.1 -0.483 360.0-110.5 -83.6 150.5 -14.7 27.7 -30.0 3 7 A K - 0 0 99 48,-0.4 50,-3.0 47,-0.2 2,-0.4 -0.438 26.6-142.8 -76.5 151.2 -16.8 29.7 -27.6 4 8 A M E -a 53 0A 49 48,-0.2 24,-3.2 -2,-0.1 25,-0.4 -0.973 16.4-172.2-123.2 129.5 -19.0 28.0 -25.0 5 9 A Y E -aB 54 27A 4 48,-2.7 50,-1.7 -2,-0.4 2,-0.5 -0.919 18.9-142.6-125.6 144.4 -22.5 29.2 -23.9 6 10 A S E -aB 55 26A 2 20,-2.6 20,-1.2 -2,-0.3 2,-0.3 -0.929 32.5-178.9-104.0 125.9 -25.0 28.2 -21.2 7 11 A C E +aB 56 25A 4 48,-3.2 50,-0.6 -2,-0.5 2,-0.3 -0.808 14.9 175.3-130.0 159.8 -28.6 28.5 -22.4 8 12 A A E - B 0 24A 21 16,-1.7 16,-1.9 -2,-0.3 2,-0.3 -0.974 13.5-149.3-158.9 153.7 -32.1 28.0 -21.1 9 13 A F E - B 0 23A 21 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.946 6.1-152.2-120.4 149.2 -35.7 28.5 -22.3 10 14 A E E - B 0 22A 42 12,-2.6 11,-2.7 -2,-0.3 12,-1.7 -0.984 29.9-173.1-110.8 134.7 -38.9 29.3 -20.3 11 15 A T E - B 0 20A 20 -2,-0.4 9,-0.2 9,-0.3 2,-0.1 -0.863 25.8-105.0-130.2 156.2 -41.9 27.8 -22.2 12 16 A T - 0 0 17 7,-2.8 133,-0.1 -2,-0.3 135,-0.0 -0.455 20.1-144.5 -76.9 158.5 -45.7 27.9 -22.0 13 17 A T + 0 0 95 131,-0.2 2,-0.4 -2,-0.1 5,-0.1 0.171 58.4 118.5-113.8 12.8 -47.4 24.8 -20.7 14 18 A K - 0 0 86 3,-0.8 3,-0.5 1,-0.1 -2,-0.1 -0.716 61.1-141.1 -87.3 130.4 -50.5 24.9 -22.9 15 19 A V S S+ 0 0 66 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.785 103.3 29.9 -55.3 -30.4 -51.0 21.9 -25.2 16 20 A E S S+ 0 0 150 1,-0.2 -1,-0.2 541,-0.1 543,-0.0 0.132 121.6 49.3-138.7 17.3 -52.3 24.2 -28.0 17 21 A D S S+ 0 0 61 -3,-0.5 -3,-0.8 2,-0.0 2,-0.7 -0.576 76.3 159.9-124.3 89.6 -50.4 27.2 -27.2 18 22 A C + 0 0 8 540,-0.6 2,-0.3 -3,-0.3 -5,-0.1 -0.826 18.0 124.6-105.8 108.5 -47.0 25.7 -26.9 19 23 A R - 0 0 43 -2,-0.7 -7,-2.8 542,-0.1 2,-0.4 -0.982 60.9 -93.6-157.2 160.2 -44.0 28.2 -27.2 20 24 A V E +B 11 0A 14 -2,-0.3 20,-0.4 -9,-0.2 -9,-0.3 -0.651 31.4 175.9 -74.7 129.9 -40.9 29.7 -25.8 21 25 A W E + 0 0 8 -11,-2.7 2,-0.3 -2,-0.4 -10,-0.2 0.580 68.5 17.9-109.2 -17.4 -41.7 33.0 -23.9 22 26 A A E -B 10 0A 0 -12,-1.7 -12,-2.6 131,-0.0 -1,-0.4 -0.994 60.2-175.9-149.9 148.2 -38.1 33.6 -22.7 23 27 A Y E -BC 9 37A 4 14,-2.3 14,-1.4 -2,-0.3 2,-0.3 -0.919 3.4-169.6-130.1 163.3 -34.6 32.6 -23.5 24 28 A G E -BC 8 36A 0 -16,-1.9 -16,-1.7 -2,-0.3 2,-0.3 -0.976 4.5-177.3-147.9 148.1 -31.1 33.2 -22.0 25 29 A Y E -BC 7 35A 34 10,-1.7 10,-2.2 -2,-0.3 2,-0.3 -0.986 4.1-175.1-137.8 151.4 -27.5 32.6 -23.0 26 30 A M E -BC 6 34A 0 -20,-1.2 -20,-2.6 -2,-0.3 8,-0.2 -0.970 32.2-115.0-148.6 126.8 -24.3 33.3 -21.1 27 31 A N E > -BC 5 30A 6 6,-3.3 3,-1.2 3,-0.6 -22,-0.3 -0.481 25.6-141.4 -61.1 124.6 -20.6 32.9 -22.2 28 32 A I T 3 S+ 0 0 0 -24,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.716 100.1 34.6 -66.7 -23.2 -19.3 30.2 -19.9 29 33 A E T 3 S+ 0 0 101 -25,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.203 124.2 42.8-116.5 18.9 -15.9 32.0 -19.5 30 34 A D E X -C 27 0A 74 -3,-1.2 3,-2.3 3,-0.2 -3,-0.6 -0.557 59.9-176.7-160.6 83.7 -17.2 35.6 -19.6 31 35 A H E 3 S+ 0 0 57 1,-0.3 -3,-0.1 -3,-0.2 -4,-0.0 0.664 81.7 69.7 -61.1 -19.3 -20.4 36.1 -17.5 32 36 A S E 3 S+ 0 0 97 1,-0.2 2,-1.0 -6,-0.1 -1,-0.3 0.657 86.0 75.3 -72.2 -17.6 -20.6 39.7 -18.7 33 37 A E E < S+ 0 0 50 -3,-2.3 -6,-3.3 -6,-0.2 2,-0.3 -0.822 72.4 117.9 -94.2 97.7 -21.5 38.3 -22.1 34 38 A Y E -C 26 0A 66 -2,-1.0 2,-0.3 -8,-0.2 -8,-0.2 -0.962 41.0-161.3-152.5 161.9 -25.1 37.2 -21.7 35 39 A K E -C 25 0A 88 -10,-2.2 -10,-1.7 -2,-0.3 2,-0.4 -0.952 4.7-166.7-154.2 131.1 -28.5 38.1 -23.1 36 40 A I E +C 24 0A 6 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.988 25.0 155.1-116.8 130.4 -32.1 37.6 -21.9 37 41 A G E -C 23 0A 8 -14,-1.4 -14,-2.3 -2,-0.4 -2,-0.0 -0.879 45.8-123.9-145.5 174.4 -34.9 38.1 -24.4 38 42 A N S S+ 0 0 58 -2,-0.3 2,-0.4 -16,-0.2 113,-0.3 0.263 79.3 81.6-109.2 13.3 -38.5 37.1 -25.1 39 43 A S > - 0 0 38 1,-0.1 4,-1.8 -16,-0.1 5,-0.1 -0.972 52.1-161.7-134.9 122.2 -38.3 35.7 -28.7 40 44 A L H > S+ 0 0 29 -2,-0.4 4,-3.0 -20,-0.4 5,-0.2 0.834 99.9 56.5 -66.3 -38.0 -37.2 32.2 -30.0 41 45 A D H > S+ 0 0 102 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.872 108.0 48.7 -56.2 -41.0 -36.7 33.8 -33.5 42 46 A E H > S+ 0 0 94 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.893 114.3 45.1 -67.9 -42.1 -34.3 36.3 -31.9 43 47 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.932 112.3 50.1 -65.0 -48.6 -32.4 33.5 -30.1 44 48 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.770 105.9 57.4 -65.4 -26.7 -32.2 31.2 -33.1 45 49 A A H X S+ 0 0 55 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.866 109.6 45.3 -66.9 -38.9 -30.9 34.1 -35.2 46 50 A W H X S+ 0 0 20 -4,-1.2 4,-1.9 -3,-0.3 3,-0.4 0.912 110.2 54.6 -67.5 -44.3 -28.1 34.3 -32.7 47 51 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 5,-0.3 0.895 106.3 52.6 -54.1 -44.5 -27.6 30.5 -32.8 48 52 A L H < S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 119.2 32.6 -66.1 -32.4 -27.2 30.7 -36.5 49 53 A K H < S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.609 100.8 76.6-101.2 -11.8 -24.4 33.3 -36.5 50 54 A V H < S- 0 0 19 -4,-1.9 -47,-0.2 -5,-0.1 -2,-0.1 0.791 72.2-156.4 -75.8 -29.2 -22.6 32.6 -33.2 51 55 A Q < + 0 0 65 -4,-0.7 -48,-0.4 1,-0.2 2,-0.2 0.942 50.1 120.7 54.2 55.0 -20.6 29.5 -34.4 52 56 A A S S- 0 0 0 -5,-0.3 62,-2.1 -50,-0.1 2,-0.5 -0.703 70.8 -90.8-137.5 178.4 -20.2 28.2 -30.9 53 57 A D E -ad 4 114A 28 -50,-3.0 -48,-2.7 -2,-0.2 2,-0.3 -0.926 42.1-164.1-102.0 124.1 -20.9 25.3 -28.5 54 58 A L E -ad 5 115A 0 60,-3.2 62,-3.8 -2,-0.5 2,-0.4 -0.837 6.1-160.8-110.7 146.6 -24.2 25.7 -26.7 55 59 A Y E -ad 6 116A 24 -50,-1.7 -48,-3.2 -2,-0.3 2,-0.4 -0.995 6.5-176.8-129.1 127.4 -25.5 23.8 -23.5 56 60 A F E > -ad 7 117A 2 60,-2.0 62,-2.1 -2,-0.4 2,-1.0 -0.960 33.8-119.1-113.9 144.3 -29.0 23.4 -22.3 57 61 A H T 3 S+ 0 0 43 -50,-0.6 5,-0.1 -2,-0.4 60,-0.1 -0.733 104.1 8.5 -85.8 105.6 -29.8 21.7 -19.1 58 62 A N T >> S- 0 0 65 -2,-1.0 3,-1.8 38,-0.1 4,-1.3 0.916 74.4-167.7 80.0 69.2 -32.0 18.8 -20.3 59 63 A L H <> S+ 0 0 0 -3,-0.6 4,-3.2 1,-0.3 5,-0.3 0.756 80.1 73.4 -54.7 -31.5 -31.6 19.2 -24.1 60 64 A K H 34 S+ 0 0 88 36,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.818 104.3 38.3 -51.5 -37.2 -34.5 16.7 -24.6 61 65 A F H <> S+ 0 0 53 -3,-1.8 4,-0.7 2,-0.1 3,-0.5 0.947 122.9 37.5 -82.2 -55.4 -36.9 19.5 -23.5 62 66 A A H >X S+ 0 0 6 -4,-1.3 4,-1.7 1,-0.2 3,-0.7 0.861 110.3 62.8 -64.3 -39.1 -35.3 22.6 -25.1 63 67 A G H 3X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.778 94.8 61.3 -57.7 -32.6 -34.3 20.6 -28.3 64 68 A A H 3> S+ 0 0 0 -3,-0.5 4,-1.5 -4,-0.5 -1,-0.2 0.878 107.6 43.5 -61.4 -39.8 -38.0 19.9 -29.1 65 69 A F H X S+ 0 0 29 -4,-1.2 3,-0.6 2,-0.2 4,-0.5 0.929 112.8 49.7 -69.8 -48.9 -38.1 26.0 -35.3 70 74 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-1.4 0.923 109.1 51.6 -55.7 -49.4 -35.5 24.4 -37.6 71 75 A E H 3<5S+ 0 0 46 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.722 112.3 47.4 -62.6 -23.9 -38.2 22.3 -39.4 72 76 A R H <<5S+ 0 0 118 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.463 109.7 54.7 -94.5 -3.8 -40.3 25.5 -40.0 73 77 A N T <<5S- 0 0 77 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 -0.110 124.5 -85.4-126.2 33.1 -37.3 27.6 -41.3 74 78 A G T 5S+ 0 0 60 -3,-0.4 2,-0.5 1,-0.2 -3,-0.2 0.466 87.2 127.4 80.7 3.4 -35.9 25.5 -44.1 75 79 A F < - 0 0 13 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.824 34.0-177.8 -91.4 127.5 -33.7 23.2 -42.1 76 80 A K E -e 85 0A 113 8,-1.2 10,-1.9 -2,-0.5 2,-0.3 -0.768 34.5 -89.2-115.3 165.3 -34.2 19.5 -42.7 77 81 A W E +e 86 0A 78 -2,-0.3 2,-0.3 8,-0.2 10,-0.2 -0.571 52.2 156.1 -77.7 135.2 -32.4 16.5 -41.0 78 82 A S - 0 0 16 8,-2.5 3,-0.4 -2,-0.3 7,-0.1 -0.920 35.3-165.3-156.3 134.5 -29.2 15.2 -42.5 79 83 A A S S+ 0 0 54 -2,-0.3 8,-0.1 1,-0.2 -1,-0.1 0.689 86.6 78.7 -83.2 -21.1 -26.2 13.2 -41.1 80 84 A D S S- 0 0 133 1,-0.1 -1,-0.2 7,-0.0 7,-0.1 0.213 102.1-123.9 -77.4 14.4 -24.3 14.1 -44.3 81 85 A G + 0 0 12 -3,-0.4 -1,-0.1 1,-0.1 -2,-0.1 0.809 49.2 165.8 50.3 42.4 -23.5 17.7 -43.0 82 86 A L > - 0 0 91 1,-0.1 3,-0.9 4,-0.1 20,-0.2 -0.438 46.1 -82.3 -81.3 159.5 -25.0 19.5 -46.0 83 87 A P T 3 S+ 0 0 66 0, 0.0 20,-0.2 0, 0.0 -1,-0.1 -0.337 114.3 18.7 -59.8 145.4 -25.8 23.3 -45.9 84 88 A N T 3 S+ 0 0 89 18,-1.2 -8,-1.2 1,-0.2 2,-0.3 0.835 104.9 108.3 58.1 36.5 -29.1 24.2 -44.3 85 89 A T E < -eF 76 102A 1 17,-1.0 17,-2.9 -3,-0.9 2,-0.4 -0.931 54.9-145.4-131.3 163.1 -29.4 20.9 -42.4 86 90 A Y E -eF 77 101A 0 -10,-1.9 -8,-2.5 -2,-0.3 2,-0.3 -0.942 6.5-153.3-125.2 147.8 -29.1 19.8 -38.8 87 91 A N E - F 0 100A 38 13,-2.6 13,-2.7 -2,-0.4 2,-0.3 -0.826 13.8-163.7-109.7 154.9 -27.7 16.5 -37.4 88 92 A T E - F 0 99A 10 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.978 22.3-148.9-133.9 150.6 -28.8 15.0 -34.1 89 93 A I E + F 0 98A 76 9,-2.2 8,-2.7 -2,-0.3 9,-1.1 -0.907 38.6 153.1-111.6 96.5 -27.5 12.4 -31.7 90 94 A I E - F 0 96A 5 -2,-0.5 308,-2.5 308,-0.4 6,-0.2 -0.995 36.6-134.9-120.9 119.7 -30.8 11.1 -30.2 91 95 A S B > -H 397 0B 31 4,-2.8 3,-1.2 -2,-0.5 306,-0.2 -0.151 21.0-108.6 -75.0 169.8 -30.5 7.5 -29.0 92 96 A R T 3 S+ 0 0 113 304,-0.5 305,-0.1 1,-0.3 -1,-0.1 0.840 124.2 51.3 -72.3 -38.6 -33.0 4.7 -29.6 93 97 A M T 3 S- 0 0 164 2,-0.1 -1,-0.3 305,-0.0 304,-0.1 0.437 128.6-104.0 -61.2 -9.1 -34.0 4.8 -25.9 94 98 A G < + 0 0 2 -3,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.805 65.4 153.5 88.9 33.5 -34.5 8.6 -26.6 95 99 A Q - 0 0 88 -36,-0.0 -4,-2.8 -35,-0.0 2,-0.5 -0.846 34.1-144.7 -90.8 126.8 -31.5 10.2 -25.0 96 100 A W E +F 90 0A 7 -2,-0.5 -36,-0.2 -6,-0.2 -6,-0.2 -0.818 32.8 155.8 -94.3 130.0 -30.5 13.6 -26.6 97 101 A Y E + 0 0 64 -8,-2.7 20,-0.7 -2,-0.5 2,-0.3 0.602 60.1 6.8-119.7 -31.2 -26.8 14.3 -26.8 98 102 A M E -FG 89 116A 18 -9,-1.1 -9,-2.2 18,-0.2 2,-0.4 -0.990 36.9-164.9-163.3 141.2 -26.4 16.8 -29.6 99 103 A I E -FG 88 115A 0 16,-2.0 16,-2.9 -2,-0.3 2,-0.6 -0.977 21.6-166.8-125.5 121.7 -28.0 19.0 -32.2 100 104 A D E -FG 87 114A 19 -13,-2.7 -13,-2.6 -2,-0.4 2,-0.6 -0.941 3.3-160.1-117.7 111.4 -25.5 20.1 -34.9 101 105 A I E -FG 86 113A 1 12,-3.2 12,-1.8 -2,-0.6 2,-0.6 -0.826 4.4-159.4-102.8 116.0 -26.7 23.0 -37.1 102 106 A C E +FG 85 112A 2 -17,-2.9 -18,-1.2 -2,-0.6 -17,-1.0 -0.844 21.9 169.5-103.3 119.5 -24.9 23.4 -40.5 103 107 A L E - 0 0 60 8,-3.3 2,-0.3 -2,-0.6 9,-0.2 0.645 60.6 -87.4 -94.9 -23.2 -25.0 26.7 -42.3 104 108 A G E - G 0 111A 9 7,-1.2 7,-3.5 -21,-0.1 2,-0.4 -0.990 45.6 -64.9 153.6-154.1 -22.3 25.7 -44.9 105 109 A Y E - G 0 110A 127 -2,-0.3 2,-0.6 5,-0.3 5,-0.2 -1.000 20.1-165.9-138.6 129.9 -18.6 25.6 -45.5 106 110 A K S S- 0 0 169 3,-2.4 2,-0.3 -2,-0.4 3,-0.2 -0.924 76.6 -47.5-113.8 101.2 -16.0 28.4 -45.9 107 111 A G S S- 0 0 71 -2,-0.6 2,-0.1 1,-0.2 0, 0.0 -0.556 123.0 -20.8 71.1-134.7 -13.0 26.6 -47.4 108 112 A K S S+ 0 0 224 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.2 -0.211 119.1 101.1 -96.7 41.7 -12.2 23.5 -45.4 109 113 A R - 0 0 150 -3,-0.2 -3,-2.4 -2,-0.1 2,-0.3 -0.982 68.5-135.0-134.8 120.9 -14.1 24.8 -42.4 110 114 A K E - G 0 105A 47 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.3 -0.550 13.0-144.3 -74.0 131.8 -17.7 23.8 -41.4 111 115 A I E + G 0 104A 21 -7,-3.5 -8,-3.3 -2,-0.3 -7,-1.2 -0.865 48.9 128.5 -98.8 105.0 -19.9 26.7 -40.5 112 116 A H E - G 0 102A 33 -2,-0.8 2,-0.4 -10,-0.2 -10,-0.2 -0.992 52.8-136.7-156.8 155.3 -22.1 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132.7 -87.5 69.0 -13.5 16.6 -17.3 182 186 A D + 0 0 94 -2,-1.6 -1,-0.2 -5,-0.2 -5,-0.1 0.334 29.1 108.2-109.6 2.5 -14.2 18.2 -20.8 183 187 A R S S- 0 0 125 -3,-0.2 6,-0.1 2,-0.2 -3,-0.0 -0.050 83.1 -93.7 -78.0-178.0 -15.8 15.4 -22.8 184 188 A M S S+ 0 0 65 2,-0.0 2,-0.3 -68,-0.0 -67,-0.2 0.839 100.3 11.8 -64.9 -38.0 -19.5 15.1 -23.9 185 189 A T S > S- 0 0 23 -64,-0.1 4,-1.6 1,-0.1 -64,-0.2 -0.851 76.0-107.0-139.5 167.8 -20.7 13.0 -20.9 186 190 A A H > S+ 0 0 5 -66,-2.0 4,-1.2 -2,-0.3 -65,-0.1 0.826 119.2 52.2 -67.1 -36.9 -19.6 11.8 -17.5 187 191 A G H > S+ 0 0 11 -67,-0.3 4,-2.2 2,-0.2 5,-0.2 0.849 105.7 54.5 -69.8 -37.0 -19.1 8.2 -18.8 188 192 A S H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 107.8 49.1 -62.8 -42.4 -16.9 9.5 -21.6 189 193 A D H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.808 109.2 55.1 -62.5 -32.1 -14.6 11.3 -19.0 190 194 A S H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.939 110.5 42.2 -68.9 -50.3 -14.5 8.0 -17.0 191 195 A L H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 116.7 49.2 -63.1 -41.7 -13.2 5.9 -19.9 192 196 A K H X S+ 0 0 43 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 110.9 50.5 -64.0 -40.3 -10.8 8.7 -20.9 193 197 A G H X S+ 0 0 19 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.848 110.1 50.0 -65.7 -35.3 -9.6 9.0 -17.3 194 198 A F H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.912 108.6 51.6 -68.5 -43.5 -9.0 5.2 -17.2 195 199 A K H X S+ 0 0 63 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.797 104.6 58.4 -63.7 -30.3 -7.0 5.3 -20.4 196 200 A D H < S+ 0 0 114 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.878 109.7 44.2 -63.8 -38.9 -4.8 8.1 -19.0 197 201 A I H < S+ 0 0 67 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.982 123.4 30.9 -71.8 -59.0 -3.8 5.8 -16.1 198 202 A I H < S- 0 0 21 -4,-2.0 4,-0.3 1,-0.1 -2,-0.2 0.638 115.8-112.9 -77.0 -12.9 -3.1 2.5 -17.9 199 203 A T X - 0 0 74 -4,-1.4 4,-1.5 -5,-0.3 -3,-0.2 0.345 11.8-109.4 85.7 139.6 -2.0 4.2 -21.1 200 204 A T H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.885 120.0 59.7 -64.8 -39.0 -3.8 4.1 -24.5 201 205 A K H > S+ 0 0 173 1,-0.2 4,-0.6 2,-0.2 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