==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JAN-12 4DEZ . COMPND 2 MOLECULE: DNA POLYMERASE IV 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR D.T.NAIR,A.SHARMA . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 0 1 1 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 2 0 1 1 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 1 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 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 T 0 0 68 0, 0.0 108,-3.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 132.3 15.5 58.6 31.0 2 3 A K E -A 108 0A 146 106,-0.3 2,-0.3 138,-0.0 106,-0.2 -0.807 360.0-173.6 -97.9 120.1 16.1 61.8 32.9 3 4 A W E -A 107 0A 42 104,-3.1 104,-2.3 -2,-0.6 2,-0.4 -0.755 17.2-152.5-114.6 159.5 16.2 61.6 36.7 4 5 A V E -AB 106 139A 3 135,-2.8 135,-2.5 -2,-0.3 2,-0.4 -0.997 12.5-169.9-130.5 124.6 16.4 64.1 39.6 5 6 A L E -AB 105 138A 0 100,-2.7 100,-2.8 -2,-0.4 2,-0.5 -0.952 7.6-156.6-116.2 135.7 18.0 63.1 42.9 6 7 A H E -AB 104 137A 0 131,-2.5 131,-2.5 -2,-0.4 2,-0.5 -0.958 9.4-158.5-113.5 121.8 17.8 65.2 46.1 7 8 A V E -AB 103 136A 4 96,-3.0 96,-1.7 -2,-0.5 2,-0.4 -0.873 10.9-179.0-105.0 129.3 20.5 64.6 48.7 8 9 A D E -AB 102 135A 19 127,-2.5 127,-2.2 -2,-0.5 94,-0.2 -0.955 24.1-131.2-134.0 115.4 19.9 65.7 52.3 9 10 A L E > - B 0 134A 4 92,-2.3 3,-0.8 -2,-0.4 2,-0.3 -0.390 30.9-114.4 -64.0 131.6 22.4 65.2 55.1 10 11 A D T 3 S- 0 0 7 123,-2.4 123,-0.3 1,-0.3 5,-0.2 -0.548 83.5 -26.8 -73.7 127.3 20.9 63.6 58.3 11 12 A Q T 3> S- 0 0 34 -2,-0.3 4,-2.8 3,-0.1 -1,-0.3 0.829 83.7-170.4 32.0 54.1 20.9 65.9 61.3 12 13 A F H <> S+ 0 0 10 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.818 70.5 42.0 -37.9 -68.4 23.8 67.7 59.9 13 14 A L H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 117.7 47.8 -54.4 -45.5 25.0 70.1 62.6 14 15 A A H > S+ 0 0 0 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.944 110.6 52.5 -59.0 -47.7 24.6 67.5 65.3 15 16 A S H X S+ 0 0 21 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.873 108.0 50.6 -56.9 -40.0 26.4 64.9 63.2 16 17 A V H >X S+ 0 0 9 -4,-2.4 4,-1.2 -5,-0.2 3,-1.0 0.929 109.9 50.5 -65.9 -41.1 29.4 67.2 62.7 17 18 A E H 3X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.872 101.8 62.3 -63.6 -37.2 29.5 67.8 66.4 18 19 A L H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.715 96.5 59.1 -63.3 -21.6 29.5 64.1 67.1 19 20 A R H << S+ 0 0 91 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.982 110.5 41.9 -64.4 -59.5 32.8 63.7 65.2 20 21 A R H < S+ 0 0 140 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.731 129.2 31.3 -58.1 -22.9 34.4 66.2 67.7 21 22 A R >< + 0 0 82 -4,-1.4 3,-1.5 -5,-0.1 -1,-0.3 -0.538 62.9 167.5-144.9 75.1 32.6 64.5 70.6 22 23 A P G > + 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.705 69.9 73.8 -58.1 -31.1 31.9 60.7 70.1 23 24 A D G 3 S+ 0 0 96 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.760 90.2 62.7 -56.2 -27.5 31.0 60.0 73.7 24 25 A L G X S+ 0 0 8 -3,-1.5 3,-1.8 -6,-0.1 -1,-0.3 0.512 72.7 128.8 -80.8 -3.7 27.6 61.7 73.0 25 26 A R T < S+ 0 0 143 -3,-1.8 0, 0.0 1,-0.2 0, 0.0 -0.222 73.1 18.3 -59.1 137.5 26.4 59.3 70.4 26 27 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.444 107.2 106.0 83.9 1.5 22.9 57.9 70.9 27 28 A Q S < S- 0 0 86 -3,-1.8 2,-0.3 1,-0.0 -1,-0.3 -0.803 84.1 -87.8-116.2 155.7 22.1 60.7 73.2 28 29 A P + 0 0 28 0, 0.0 40,-2.2 0, 0.0 2,-0.4 -0.435 51.2 179.4 -60.3 114.6 19.9 63.9 73.0 29 30 A V E -e 68 0B 0 -2,-0.3 14,-2.6 38,-0.2 2,-0.4 -0.963 10.4-169.2-122.5 138.0 22.2 66.6 71.6 30 31 A I E -eF 69 42B 0 38,-2.9 40,-2.5 -2,-0.4 2,-0.5 -0.985 7.3-157.2-132.3 123.4 21.1 70.2 70.9 31 32 A V E -eF 70 41B 0 10,-2.7 9,-3.2 -2,-0.4 10,-1.5 -0.850 18.7-172.9 -97.8 128.0 23.2 72.7 69.0 32 33 A G E +eF 71 39B 9 38,-2.5 40,-1.5 -2,-0.5 7,-0.2 -0.976 24.6 111.3-135.2 133.4 22.3 76.4 69.8 33 34 A G E F 0 38B 11 5,-1.4 5,-1.2 -2,-0.4 24,-0.1 -0.279 360.0 360.0-150.5-120.5 23.3 79.7 68.3 34 35 A S 0 0 142 3,-0.2 3,-0.1 -2,-0.1 -1,-0.0 -0.880 360.0 360.0-119.8 360.0 21.6 82.5 66.3 35 ! 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 36 42 A R 0 0 287 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 133.9 18.5 85.5 71.9 37 43 A K + 0 0 141 -3,-0.1 20,-2.0 -5,-0.1 21,-0.3 -0.551 360.0 179.4 -83.8 137.6 19.6 82.0 71.2 38 44 A V E -FG 33 56B 41 -5,-1.2 -5,-1.4 18,-0.3 2,-0.4 -0.757 40.4 -80.5-125.7 171.4 17.6 79.3 69.5 39 45 A V E +F 32 0B 2 16,-2.5 15,-2.9 13,-0.3 -7,-0.3 -0.618 37.7 179.4 -73.8 125.8 18.0 75.7 68.5 40 46 A T E S+ 0 0 38 -9,-3.2 2,-0.3 -2,-0.4 -8,-0.2 0.725 74.3 3.7 -98.4 -29.4 20.0 75.4 65.2 41 47 A C E -F 31 0B 11 -10,-1.5 -10,-2.7 11,-0.1 2,-0.5 -0.901 63.1-161.6-156.8 128.7 19.9 71.6 65.1 42 48 A A E -F 30 0B 1 -2,-0.3 -12,-0.2 -12,-0.2 11,-0.1 -0.946 26.0-123.1-111.6 130.3 18.3 69.1 67.3 43 49 A S > - 0 0 2 -14,-2.6 4,-2.1 -2,-0.5 3,-0.2 -0.279 30.1-107.3 -65.8 157.4 19.5 65.5 67.2 44 50 A Y H > S+ 0 0 61 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.837 121.9 56.2 -56.0 -33.3 16.8 62.9 66.4 45 51 A E H >4 S+ 0 0 59 -18,-0.2 3,-1.1 1,-0.2 4,-0.3 0.941 107.0 48.0 -65.1 -45.2 16.9 61.8 70.0 46 52 A A H >4>S+ 0 0 0 -17,-0.3 3,-2.0 1,-0.2 5,-1.1 0.873 103.6 62.4 -62.2 -37.2 16.1 65.3 71.2 47 53 A R H ><5S+ 0 0 94 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.713 88.3 70.3 -62.6 -20.8 13.2 65.6 68.6 48 54 A E T <<5S+ 0 0 163 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.734 96.8 53.8 -66.9 -21.4 11.5 62.7 70.4 49 55 A F T < 5S- 0 0 110 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.213 129.0 -97.7 -95.9 11.4 10.9 65.2 73.2 50 56 A G T < 5S+ 0 0 23 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.718 75.7 146.9 80.6 20.7 9.3 67.7 70.9 51 57 A V < + 0 0 0 -5,-1.1 2,-0.3 -8,-0.1 -1,-0.3 -0.762 21.0 172.9 -91.4 135.8 12.5 69.8 70.5 52 58 A H > - 0 0 101 -2,-0.4 3,-1.7 -11,-0.1 -13,-0.3 -0.978 38.6 -83.3-144.7 155.6 12.9 71.4 67.1 53 59 A A T 3 S+ 0 0 71 -2,-0.3 -13,-0.2 1,-0.2 -21,-0.1 -0.238 110.0 32.0 -52.3 140.1 15.0 73.9 65.1 54 60 A G T 3 S+ 0 0 47 -15,-2.9 -1,-0.2 1,-0.3 -14,-0.1 -0.118 85.3 118.5 102.2 -34.9 14.0 77.4 65.8 55 61 A M S < S- 0 0 30 -3,-1.7 -16,-2.5 -17,-0.2 -1,-0.3 -0.343 73.4 -97.3 -73.5 145.7 12.8 77.2 69.3 56 62 A P B > -G 38 0B 74 0, 0.0 4,-1.7 0, 0.0 -18,-0.3 -0.230 31.5-119.8 -54.3 147.4 14.5 79.3 72.1 57 63 A L H > S+ 0 0 40 -20,-2.0 4,-2.9 1,-0.2 5,-0.2 0.877 111.8 55.3 -59.9 -39.1 17.1 77.3 74.1 58 64 A R H > S+ 0 0 205 -21,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.928 108.5 48.0 -62.3 -40.9 15.2 77.8 77.4 59 65 A A H > S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.830 111.7 51.9 -66.3 -31.6 12.1 76.3 75.9 60 66 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.920 106.8 52.0 -69.6 -43.7 14.3 73.4 74.6 61 67 A A H < S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 105.6 56.5 -61.2 -34.2 15.8 72.8 78.0 62 68 A R H < S+ 0 0 188 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.7 40.3 -64.9 -38.6 12.3 72.6 79.4 63 69 A R H < S+ 0 0 134 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.833 129.8 26.4 -80.4 -31.3 11.3 69.8 77.0 64 70 A C >< + 0 0 1 -4,-2.4 3,-2.3 1,-0.1 -1,-0.2 -0.566 64.8 169.0-134.8 71.3 14.6 67.9 77.2 65 71 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.736 79.2 53.8 -51.8 -31.5 16.3 68.5 80.6 66 72 A D T 3 S+ 0 0 149 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.327 84.4 115.7 -91.9 8.9 18.8 65.7 80.0 67 73 A A < - 0 0 13 -3,-2.3 2,-0.6 -6,-0.1 -38,-0.2 -0.379 65.6-124.1 -78.1 158.2 20.0 67.0 76.6 68 74 A T E -e 29 0B 40 -40,-2.2 -38,-2.9 -44,-0.1 2,-0.5 -0.906 23.1-149.8-103.6 121.0 23.6 68.2 76.0 69 75 A F E -e 30 0B 79 -2,-0.6 -38,-0.2 -40,-0.2 -40,-0.0 -0.781 14.3-173.8 -93.8 130.4 23.8 71.7 74.7 70 76 A L E -e 31 0B 12 -40,-2.5 -38,-2.5 -2,-0.5 2,-0.1 -0.946 28.1-109.4-123.5 145.4 26.7 72.6 72.4 71 77 A P E -e 32 0B 91 0, 0.0 -38,-0.2 0, 0.0 2,-0.1 -0.435 40.7-102.2 -70.9 144.4 27.5 76.1 71.0 72 78 A S - 0 0 38 -40,-1.5 -59,-0.0 -2,-0.1 -41,-0.0 -0.417 33.1-167.7 -66.2 140.6 27.0 76.6 67.3 73 79 A D >> + 0 0 66 1,-0.1 4,-1.5 -2,-0.1 3,-1.1 -0.644 9.0 176.8-133.5 76.8 30.3 76.5 65.3 74 80 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.744 75.9 58.5 -51.0 -35.2 29.6 77.8 61.7 75 81 A A H 3> S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.846 107.0 47.7 -70.0 -32.7 33.1 77.6 60.4 76 82 A A H <> S+ 0 0 28 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.852 112.9 49.8 -73.1 -34.5 33.2 73.9 61.1 77 83 A Y H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.882 109.7 51.3 -72.0 -35.9 29.8 73.5 59.4 78 84 A D H X S+ 0 0 71 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.969 112.7 45.0 -60.7 -54.2 31.0 75.5 56.4 79 85 A E H X S+ 0 0 143 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.939 112.4 51.2 -56.4 -50.4 34.1 73.3 56.0 80 86 A A H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.854 112.4 47.3 -57.7 -35.7 32.2 70.1 56.5 81 87 A S H X S+ 0 0 9 -4,-1.9 4,-3.4 2,-0.2 -1,-0.2 0.896 106.7 54.2 -73.5 -44.7 29.6 71.1 53.8 82 88 A E H X S+ 0 0 123 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.905 107.0 53.4 -56.5 -43.5 32.1 72.2 51.2 83 89 A Q H X S+ 0 0 81 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.963 112.8 43.3 -56.8 -52.7 33.8 68.8 51.5 84 90 A V H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.925 114.6 49.2 -59.1 -47.8 30.5 67.0 50.9 85 91 A M H X S+ 0 0 16 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.925 109.7 51.0 -61.8 -43.3 29.4 69.4 48.1 86 92 A G H X S+ 0 0 31 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.905 109.4 52.6 -57.9 -42.9 32.8 69.0 46.3 87 93 A L H < S+ 0 0 37 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.897 111.7 45.7 -59.4 -41.1 32.3 65.2 46.5 88 94 A L H >< S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.2 5,-0.4 0.949 111.4 51.0 -69.1 -46.8 28.9 65.5 44.9 89 95 A R H >< S+ 0 0 116 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.890 102.5 62.0 -56.6 -41.0 30.0 67.8 42.2 90 96 A D T 3< S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.529 80.7 80.5 -68.5 -4.4 32.9 65.5 41.3 91 97 A L T < S- 0 0 58 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.610 107.2-118.8 -74.5 -11.0 30.5 62.6 40.4 92 98 A G S < S+ 0 0 67 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.492 71.2 122.4 90.1 1.9 30.1 64.5 37.0 93 99 A H S S- 0 0 46 -5,-0.4 -1,-0.3 -4,-0.2 14,-0.1 -0.603 76.2 -87.9 -96.3 160.5 26.4 65.2 37.1 94 100 A P - 0 0 61 0, 0.0 12,-1.7 0, 0.0 2,-0.4 -0.449 56.9-162.3 -61.5 141.6 24.7 68.7 36.9 95 101 A L E -C 105 0A 1 10,-0.2 2,-0.4 -2,-0.1 10,-0.2 -0.978 23.5-173.0-138.3 143.6 24.6 69.9 40.5 96 102 A E E -C 104 0A 29 8,-2.4 8,-2.8 -2,-0.4 2,-0.3 -0.933 14.7-154.3-140.6 110.8 22.6 72.5 42.5 97 103 A V E -C 103 0A 55 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.693 7.3-170.1 -90.1 134.4 23.5 73.2 46.1 98 104 A W E > -C 102 0A 140 4,-2.8 4,-1.3 -2,-0.3 3,-0.2 -0.971 56.8 -47.1-124.3 114.4 21.0 74.7 48.6 99 105 A G T 4 S- 0 0 63 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.149 96.2 -49.1 60.6-157.5 22.3 75.8 52.0 100 106 A W T 4 S+ 0 0 85 1,-0.1 -1,-0.2 -3,-0.1 -15,-0.1 0.844 132.6 33.3 -80.6 -34.7 24.7 73.5 53.9 101 107 A D T 4 S+ 0 0 50 -3,-0.2 -92,-2.3 -92,-0.1 2,-0.3 0.332 101.7 70.6-112.4 7.3 22.8 70.2 53.8 102 108 A E E < +AC 8 98A 41 -4,-1.3 -4,-2.8 -94,-0.2 2,-0.3 -0.959 42.0 167.4-131.2 146.6 21.0 69.9 50.5 103 109 A A E -AC 7 97A 0 -96,-1.7 -96,-3.0 -2,-0.3 2,-0.4 -0.993 20.3-148.7-153.3 147.1 21.7 69.4 46.9 104 110 A Y E -AC 6 96A 13 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.4 -0.938 21.1-176.1-111.9 136.1 19.8 68.5 43.7 105 111 A L E -AC 5 95A 3 -100,-2.8 -100,-2.7 -2,-0.4 2,-0.4 -0.998 15.2-139.4-137.7 141.4 21.5 66.5 41.0 106 112 A G E -A 4 0A 9 -12,-1.7 2,-0.4 -2,-0.4 -102,-0.2 -0.758 14.7-174.2 -99.3 142.2 20.5 65.5 37.5 107 113 A A E -A 3 0A 2 -104,-2.3 -104,-3.1 -2,-0.4 2,-0.8 -0.931 14.9-158.1-139.8 115.9 21.2 62.1 35.9 108 114 A D E -A 2 0A 113 -2,-0.4 -106,-0.3 -106,-0.2 -2,-0.0 -0.826 33.9-172.7 -88.8 114.5 20.3 61.2 32.3 109 115 A L - 0 0 22 -108,-3.8 -2,-0.0 -2,-0.8 2,-0.0 -0.864 32.4 -93.7-122.3 147.9 20.3 57.4 32.5 110 116 A P > - 0 0 85 0, 0.0 3,-2.7 0, 0.0 -1,-0.0 -0.307 49.1-111.7 -54.2 127.2 20.0 54.3 30.2 111 117 A D T 3 S+ 0 0 144 1,-0.3 -109,-0.0 3,-0.0 -2,-0.0 0.556 117.2 43.0 -40.3 -13.8 16.3 53.4 30.2 112 118 A E T 3 S+ 0 0 163 2,-0.1 -1,-0.3 -111,-0.0 2,-0.0 0.655 86.2 108.7-108.4 -22.7 17.1 50.2 32.1 113 119 A S < - 0 0 41 -3,-2.7 -4,-0.1 1,-0.1 3,-0.0 -0.296 69.2-127.1 -59.5 134.9 19.6 51.6 34.7 114 120 A D >> - 0 0 80 1,-0.1 3,-1.2 2,-0.0 4,-0.5 -0.750 9.0-153.2 -86.5 124.3 18.2 51.7 38.2 115 121 A P H >> S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.755 89.2 76.3 -66.8 -25.5 18.7 55.2 39.7 116 122 A V H 3> S+ 0 0 32 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.815 88.7 58.9 -56.8 -28.6 18.8 53.6 43.2 117 123 A E H <> S+ 0 0 106 -3,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.887 102.3 50.7 -70.3 -36.9 22.3 52.5 42.3 118 124 A V H S- 0 0 5 -137,-0.3 4,-1.7 1,-0.1 88,-0.2 -0.973 82.8-109.5-153.4 162.6 11.6 66.8 39.1 142 148 A K H > S+ 0 0 26 86,-2.8 4,-2.5 -2,-0.3 5,-0.2 0.946 110.3 48.6 -61.8 -53.0 12.9 68.7 42.1 143 149 A Q H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.938 114.2 44.1 -55.9 -53.4 9.7 69.1 44.1 144 150 A R H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.848 112.7 54.0 -61.8 -34.5 8.7 65.4 43.9 145 151 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.916 108.6 48.4 -66.1 -42.5 12.3 64.3 44.6 146 152 A K H X S+ 0 0 31 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.893 111.2 49.8 -65.5 -38.9 12.4 66.4 47.8 147 153 A V H >X S+ 0 0 16 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.930 108.6 54.3 -63.2 -42.0 9.0 65.0 48.9 148 154 A A H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.8 0.858 99.8 62.3 -58.8 -33.9 10.6 61.5 48.2 149 155 A T H >X S+ 0 0 3 -4,-1.8 4,-1.4 1,-0.2 3,-0.5 0.877 93.4 62.2 -62.3 -35.1 13.4 62.5 50.5 150 156 A G H << S+ 0 0 53 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.822 105.6 46.1 -58.8 -34.0 11.0 62.8 53.4 151 157 A F H << S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.717 107.1 59.1 -81.1 -21.4 10.2 59.1 53.1 152 158 A A H << S+ 0 0 6 -4,-1.1 4,-0.3 -3,-0.5 -2,-0.2 0.762 84.5 144.5 -78.4 -24.5 13.8 58.2 52.8 153 159 A K < + 0 0 66 -4,-1.4 4,-0.1 2,-0.2 2,-0.1 -0.351 46.8 36.1 -64.1 136.0 14.7 59.6 56.2 154 160 A P S S- 0 0 83 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.639 134.0 -35.2-104.9 159.5 16.7 58.5 58.0 155 161 A A S S+ 0 0 47 1,-0.2 2,-0.2 -2,-0.1 -20,-0.2 0.828 108.3 112.2 47.9 41.2 19.7 57.0 56.2 156 162 A G - 0 0 18 -4,-0.3 -20,-2.5 -7,-0.1 2,-0.3 -0.719 60.8-127.1-135.7-176.0 17.6 55.8 53.3 157 163 A I E -d 136 0A 47 -2,-0.2 2,-0.3 -22,-0.2 -20,-0.2 -0.977 24.2-177.6-132.6 144.0 16.6 56.0 49.6 158 164 A Y E -d 137 0A 71 -22,-1.9 -20,-3.0 -2,-0.3 2,-0.5 -0.989 14.7-149.6-150.9 139.8 13.1 56.4 48.1 159 165 A V E +d 138 0A 48 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.925 13.2 178.3-114.8 122.9 11.5 56.6 44.7 160 166 A L + 0 0 0 -22,-2.8 -20,-0.3 -2,-0.5 2,-0.2 -0.979 18.6 144.9-123.3 117.7 8.4 58.6 43.8 161 167 A T > - 0 0 34 -2,-0.5 4,-2.4 -22,-0.1 3,-0.4 -0.708 66.8 -76.8-135.2-172.0 7.1 58.7 40.2 162 168 A E T 4 S+ 0 0 124 1,-0.2 4,-0.5 -2,-0.2 -1,-0.0 0.870 124.0 64.6 -59.2 -31.8 3.8 58.8 38.3 163 169 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.918 121.0 13.3 -59.2 -47.1 3.4 55.1 39.2 164 170 A N T > S+ 0 0 41 -3,-0.4 4,-2.3 2,-0.1 5,-0.3 0.499 99.1 101.4-110.4 -2.8 3.2 55.5 42.9 165 171 A W H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.912 87.9 35.8 -47.7 -62.2 2.6 59.2 43.4 166 172 A M H > S+ 0 0 75 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.832 114.0 57.7 -67.5 -31.5 -1.1 59.3 44.0 167 173 A T H 4 S+ 0 0 128 -4,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.885 116.0 36.5 -63.9 -38.8 -1.2 56.1 46.0 168 174 A V H < S+ 0 0 28 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.860 131.3 27.4 -82.2 -35.0 1.3 57.5 48.4 169 175 A M H >< S+ 0 0 1 -4,-2.6 3,-2.8 -5,-0.3 27,-0.6 0.770 88.7 96.7 -99.9 -31.3 0.1 61.1 48.5 170 176 A G T 3< S+ 0 0 4 -4,-2.2 27,-2.5 -5,-0.3 28,-0.4 0.661 90.4 38.2 -31.7 -46.6 -3.6 61.1 47.7 171 177 A D T 3 S+ 0 0 147 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.386 94.2 103.4 -95.3 3.4 -5.0 61.2 51.2 172 178 A R S < S- 0 0 103 -3,-2.8 24,-2.0 1,-0.1 25,-0.2 -0.462 80.6 -97.0 -85.3 157.8 -2.5 63.5 52.7 173 179 A P > - 0 0 66 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.401 40.3-104.4 -69.9 150.0 -3.1 67.2 53.5 174 180 A P G > S+ 0 0 2 0, 0.0 3,-2.0 0, 0.0 6,-0.2 0.781 115.9 69.6 -45.5 -32.7 -1.9 69.7 50.8 175 181 A D G 3 S+ 0 0 80 1,-0.3 4,-0.1 7,-0.1 5,-0.1 0.555 79.9 74.9 -69.1 -5.3 1.0 70.7 53.1 176 182 A A G < S+ 0 0 39 -3,-2.6 -1,-0.3 -7,-0.1 2,-0.2 0.690 81.3 89.6 -74.9 -19.8 2.7 67.3 52.5 177 183 A L S X S- 0 0 5 -3,-2.0 3,-1.2 -4,-0.3 2,-0.5 -0.537 89.7-117.2 -74.3 143.6 3.5 68.7 49.0 178 184 A W T 3 S+ 0 0 132 1,-0.2 -31,-0.1 -2,-0.2 3,-0.1 -0.740 104.5 31.7 -83.3 128.3 6.9 70.5 48.8 179 185 A G T 3 S+ 0 0 57 -2,-0.5 2,-0.6 -4,-0.1 -1,-0.2 0.228 99.0 97.5 108.4 -12.2 6.1 74.1 47.8 180 186 A V < - 0 0 7 -3,-1.2 -1,-0.1 -6,-0.2 -3,-0.1 -0.922 57.5-169.4-114.2 109.8 2.8 74.1 49.7 181 187 A G > - 0 0 29 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.333 35.8 -93.3 -91.4 175.9 2.9 75.7 53.2 182 188 A P H > S+ 0 0 88 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.802 119.2 53.0 -58.8 -39.3 0.6 75.9 56.2 183 189 A K H > S+ 0 0 183 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.942 111.3 47.0 -64.8 -45.7 -1.0 79.2 55.4 184 190 A T H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 111.5 51.7 -62.5 -39.9 -1.9 78.0 51.9 185 191 A T H X S+ 0 0 21 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.787 108.2 50.9 -71.3 -21.7 -3.3 74.8 53.2 186 192 A K H X S+ 0 0 149 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.906 110.6 49.2 -76.0 -41.5 -5.5 76.7 55.8 187 193 A K H X S+ 0 0 98 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.942 112.3 49.4 -59.9 -44.8 -6.8 78.9 52.9 188 194 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.9 0.878 107.3 53.9 -62.0 -39.7 -7.5 75.6 50.9 189 195 A A H ><5S+ 0 0 50 -4,-1.7 3,-2.2 1,-0.3 -1,-0.2 0.915 102.4 58.1 -61.8 -42.7 -9.3 74.0 53.9 190 196 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 107.1 49.0 -60.2 -20.7 -11.6 77.1 54.0 191 197 A M T <<5S- 0 0 66 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.302 126.2-101.0-100.4 9.5 -12.6 76.3 50.4 192 198 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.717 81.9 129.0 82.7 23.7 -13.2 72.6 51.2 193 199 A I < + 0 0 10 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.921 14.5 148.4-116.3 108.6 -9.9 71.2 49.9 194 200 A T + 0 0 81 -2,-0.6 2,-0.3 -21,-0.1 -1,-0.1 0.394 52.8 51.9-123.1 0.4 -8.2 69.0 52.4 195 201 A T S > S- 0 0 24 -22,-0.2 4,-2.2 1,-0.1 -24,-0.2 -0.949 74.9-120.8-135.3 160.2 -6.3 66.3 50.5 196 202 A V H > S+ 0 0 0 -24,-2.0 4,-2.7 -27,-0.6 -26,-0.2 0.898 114.0 56.2 -63.8 -40.8 -3.7 66.2 47.6 197 203 A A H > S+ 0 0 31 -27,-2.5 4,-1.0 -28,-0.2 -1,-0.2 0.919 109.2 45.9 -59.7 -42.6 -6.1 64.0 45.6 198 204 A D H >4 S+ 0 0 76 -28,-0.4 3,-0.6 1,-0.2 4,-0.4 0.926 112.8 49.8 -65.2 -45.4 -8.9 66.6 45.9 199 205 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.905 104.7 60.1 -60.3 -40.0 -6.6 69.5 45.0 200 206 A A H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.0 36.0 -60.6 -30.5 -5.3 67.6 42.0 201 207 A V T << S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.268 86.3 125.8-108.9 14.2 -8.7 67.4 40.4 202 208 A T S < S- 0 0 25 -3,-1.3 -3,-0.0 -4,-0.4 -9,-0.0 -0.439 72.8 -99.8 -70.2 142.4 -10.0 70.8 41.5 203 209 A D >> - 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0 0 22 -84,-0.1 2,-0.2 -87,-0.1 -5,-0.0 -0.985 55.7 -24.3 167.4-167.6 7.8 70.5 39.3 228 234 A D - 0 0 80 -2,-0.3 -86,-2.8 1,-0.1 -85,-0.2 -0.506 45.4-175.8 -71.1 136.8 11.0 72.1 38.1 229 235 A T + 0 0 102 -88,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.626 54.3 87.6-109.2 -19.3 13.0 69.6 35.9 230 236 A E + 0 0 137 1,-0.2 -88,-0.0 -124,-0.0 -226,-0.0 -0.752 43.4 176.5 -88.5 119.9 16.2 71.6 35.1 231 237 A V + 0 0 8 -2,-0.6 -1,-0.2 -90,-0.0 -127,-0.1 0.931 15.1 177.7 -85.8 -55.0 19.0 71.2 37.7 232 238 A S 0 0 61 -136,-0.1 -2,-0.0 -138,-0.0 -127,-0.0 0.891 360.0 360.0 49.9 108.4 21.8 73.2 36.0 233 239 A S 0 0 96 -137,-0.1 -136,-0.1 -144,-0.0 -144,-0.0 0.830 360.0 360.0 -50.1 360.0 25.0 73.4 38.0