==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-01 1GRR . COMPND 2 MOLECULE: CHLORAMPHENICOL 3-O PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR T.IZARD . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 0 0.0 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 1 0 1 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 175 0, 0.0 176,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -56.8 8.0 30.6 57.4 2 2 A T - 0 0 55 1,-0.1 2,-0.5 174,-0.1 111,-0.2 -0.268 360.0-116.9 -53.7 126.2 5.4 31.3 54.7 3 3 A T + 0 0 4 174,-2.3 111,-0.1 1,-0.2 -1,-0.1 -0.534 38.8 173.3 -69.2 116.4 6.8 33.5 52.0 4 4 A R + 0 0 94 109,-1.5 85,-1.5 -2,-0.5 2,-0.3 0.630 61.7 24.5-101.8 -14.9 4.9 36.7 52.1 5 5 A M E -ab 89 114A 0 108,-1.1 110,-2.9 83,-0.2 2,-0.5 -0.942 57.3-157.2-157.2 128.4 6.8 38.9 49.6 6 6 A I E -ab 90 115A 0 83,-2.4 85,-2.9 -2,-0.3 2,-0.6 -0.921 13.0-165.1-107.2 123.7 9.1 38.2 46.6 7 7 A I E -ab 91 116A 2 108,-2.3 110,-2.9 -2,-0.5 2,-0.4 -0.922 2.1-164.7-115.5 112.0 11.5 41.0 45.6 8 8 A L E -ab 92 117A 0 83,-3.4 85,-3.4 -2,-0.6 2,-0.4 -0.742 5.1-173.3 -94.7 139.7 13.2 40.8 42.2 9 9 A N E +ab 93 118A 1 108,-1.6 110,-3.2 -2,-0.4 2,-0.3 -0.992 23.3 124.0-135.4 127.4 16.2 42.9 41.4 10 10 A G - 0 0 0 83,-1.4 110,-0.1 -2,-0.4 3,-0.1 -0.925 54.9 -90.4-175.7 152.0 17.9 43.2 38.1 11 11 A G > - 0 0 1 108,-0.3 3,-1.5 -2,-0.3 5,-0.3 -0.048 64.3 -68.9 -63.1 169.9 18.9 45.7 35.4 12 12 A S T 3 S+ 0 0 11 128,-0.3 -1,-0.2 1,-0.3 118,-0.1 -0.299 119.6 14.0 -63.4 144.9 16.6 46.7 32.6 13 13 A S T 3 S+ 0 0 9 -3,-0.1 -1,-0.3 1,-0.1 116,-0.1 0.615 85.1 123.3 66.8 12.8 15.9 44.1 30.0 14 14 A A S < S- 0 0 5 -3,-1.5 146,-0.3 -4,-0.1 -2,-0.1 0.596 91.2-100.9 -77.8 -8.7 17.3 41.4 32.2 15 15 A G S > S+ 0 0 21 -4,-0.2 4,-1.8 -5,-0.1 5,-0.2 0.559 78.2 138.2 103.2 11.1 13.9 39.7 31.9 16 16 A K H > + 0 0 12 -5,-0.3 4,-2.6 1,-0.2 5,-0.1 0.927 68.8 53.3 -52.1 -57.9 12.2 40.7 35.1 17 17 A S H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 110.0 48.7 -46.7 -50.0 8.7 41.5 33.7 18 18 A G H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 109.2 51.9 -60.1 -44.4 8.5 38.2 32.0 19 19 A I H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.938 108.9 52.4 -57.7 -47.1 9.5 36.2 35.1 20 20 A V H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.957 109.3 46.6 -53.8 -57.6 6.8 38.1 37.0 21 21 A R H X S+ 0 0 172 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.839 115.8 48.6 -55.3 -34.2 4.0 37.2 34.6 22 22 A C H X S+ 0 0 27 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.947 109.0 50.4 -70.6 -50.1 5.3 33.6 34.6 23 23 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.904 108.9 54.2 -53.3 -43.9 5.5 33.4 38.4 24 24 A Q H < S+ 0 0 79 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.905 111.3 44.0 -58.8 -43.1 1.9 34.7 38.6 25 25 A S H < S+ 0 0 105 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.913 119.2 44.2 -68.7 -41.2 0.8 31.9 36.2 26 26 A V H < S+ 0 0 52 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.997 93.2 80.8 -66.1 -69.1 2.8 29.3 38.1 27 27 A L S < S- 0 0 15 -4,-2.5 4,-0.2 1,-0.1 146,-0.0 -0.118 73.1-141.5 -46.0 129.2 2.2 30.0 41.8 28 28 A P S S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.874 83.4 63.5 -61.1 -46.4 -1.2 28.6 42.9 29 29 A E S S- 0 0 94 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.575 102.5 -96.2 -81.9 147.4 -2.2 31.5 45.2 30 30 A P - 0 0 100 0, 0.0 58,-0.6 0, 0.0 2,-0.5 -0.462 40.0-163.8 -67.5 127.7 -2.8 34.9 43.5 31 31 A W E -c 88 0A 13 -2,-0.2 2,-0.3 -4,-0.2 58,-0.2 -0.952 11.1-140.2-114.1 131.2 0.3 37.1 43.7 32 32 A L E -c 89 0A 83 56,-3.2 58,-3.9 -2,-0.5 2,-0.5 -0.720 17.1-148.2 -88.3 140.9 -0.1 40.8 43.1 33 33 A A E +c 90 0A 36 -2,-0.3 2,-0.3 56,-0.2 58,-0.2 -0.941 24.3 161.0-116.2 130.7 2.8 42.3 41.1 34 34 A F E +c 91 0A 61 56,-2.5 58,-1.4 -2,-0.5 2,-0.3 -0.919 9.1 164.1-137.4 162.2 4.1 45.9 41.5 35 35 A G E > -c 92 0A 2 -2,-0.3 4,-1.6 56,-0.2 58,-0.2 -0.978 53.3 -82.0-166.6 179.8 7.3 47.6 40.5 36 36 A V H > S+ 0 0 29 56,-1.2 4,-2.7 -2,-0.3 5,-0.2 0.914 125.7 51.7 -61.5 -38.9 9.4 50.6 39.9 37 37 A D H > S+ 0 0 71 55,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.930 109.7 47.1 -62.7 -46.8 7.8 50.8 36.4 38 38 A S H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.740 111.3 54.1 -67.0 -22.4 4.3 50.6 37.8 39 39 A L H X S+ 0 0 8 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 105.0 51.2 -74.0 -50.8 5.3 53.3 40.3 40 40 A I H < S+ 0 0 24 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.913 110.3 52.7 -49.5 -43.9 6.6 55.6 37.5 41 41 A E H < S+ 0 0 162 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.905 109.1 47.0 -59.0 -44.6 3.1 55.0 36.0 42 42 A A H < S+ 0 0 80 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.743 99.4 86.4 -70.7 -24.1 1.4 56.0 39.2 43 43 A M S < S- 0 0 14 -4,-2.1 5,-0.1 -3,-0.2 25,-0.0 -0.485 96.0 -92.3 -78.6 148.0 3.5 59.1 39.5 44 44 A P > - 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.299 33.9-118.3 -59.5 141.6 2.5 62.3 37.8 45 45 A L G > S+ 0 0 136 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.837 113.0 63.0 -50.2 -37.1 4.0 62.6 34.3 46 46 A K G >> S+ 0 0 162 1,-0.3 3,-3.2 2,-0.2 4,-1.6 0.756 81.0 79.4 -63.0 -24.0 5.8 65.8 35.5 47 47 A M G <4 S+ 0 0 11 -3,-2.2 7,-2.3 1,-0.3 -1,-0.3 0.775 92.1 55.3 -52.7 -23.9 7.7 63.8 38.0 48 48 A Q G <4 S+ 0 0 77 -3,-1.9 -1,-0.3 -4,-0.4 8,-0.3 0.543 115.6 35.3 -86.0 -10.2 9.8 62.9 34.9 49 49 A S T <4 S+ 0 0 103 -3,-3.2 -2,-0.2 -4,-0.2 -1,-0.2 0.352 100.3 101.2-121.3 -2.0 10.4 66.5 34.1 50 50 A A S < S- 0 0 39 -4,-1.6 3,-0.3 4,-0.2 4,-0.1 -0.296 75.9-118.5 -81.4 169.2 10.7 67.7 37.7 51 51 A E S S+ 0 0 187 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.996 111.2 30.9 -71.3 -70.3 13.9 68.5 39.6 52 52 A G S S+ 0 0 13 13,-0.1 16,-3.2 14,-0.1 17,-0.3 0.169 113.2 87.5 -76.8 22.3 13.8 66.1 42.5 53 53 A G S S- 0 0 2 -3,-0.3 12,-3.2 14,-0.2 2,-0.4 0.522 91.6 -73.5 -89.6-125.7 12.0 63.8 40.2 54 54 A I E -E 64 0B 8 -7,-2.3 2,-0.4 10,-0.2 10,-0.2 -0.998 39.7-168.5-142.5 136.2 13.5 61.3 37.8 55 55 A E E -E 63 0B 108 8,-1.7 8,-1.7 -2,-0.4 2,-0.8 -0.990 16.3-145.2-132.0 140.9 15.2 62.0 34.5 56 56 A F - 0 0 83 -2,-0.4 6,-0.2 -8,-0.3 4,-0.1 -0.821 21.4-144.5-104.1 94.4 16.3 59.6 31.7 57 57 A D > - 0 0 62 -2,-0.8 3,-2.2 1,-0.2 4,-0.2 -0.266 22.1-119.2 -54.5 140.5 19.6 61.0 30.2 58 58 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.641 111.5 68.6 -59.5 -15.7 19.6 60.3 26.4 59 59 A D T 3 S- 0 0 94 80,-0.1 -1,-0.3 81,-0.0 -2,-0.1 0.378 128.5 -94.2 -85.0 5.1 22.7 58.2 26.9 60 60 A G S < S+ 0 0 0 -3,-2.2 -2,-0.2 1,-0.2 79,-0.1 0.439 82.5 139.1 97.6 1.4 20.5 55.6 28.7 61 61 A G - 0 0 11 -4,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.139 35.7-157.9 -73.7 173.2 21.2 56.9 32.2 62 62 A V - 0 0 38 -6,-0.2 2,-0.4 78,-0.1 -6,-0.2 -0.931 7.3-174.8-154.8 127.8 18.8 57.4 35.1 63 63 A S E -E 55 0B 49 -8,-1.7 -8,-1.7 -2,-0.3 2,-0.4 -0.994 11.1-151.6-131.3 131.8 18.9 59.6 38.1 64 64 A I E -E 54 0B 37 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.857 11.4-157.3-104.5 134.0 16.5 59.7 41.0 65 65 A G > - 0 0 12 -12,-3.2 4,-2.5 -2,-0.4 3,-0.2 -0.545 33.6 -99.4-103.7 171.1 15.9 62.8 43.1 66 66 A P H > S+ 0 0 93 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.832 120.4 58.0 -57.5 -36.5 14.6 63.4 46.6 67 67 A E H > S+ 0 0 114 -15,-0.2 4,-1.7 2,-0.2 -14,-0.2 0.942 110.9 43.9 -59.6 -45.7 11.1 64.2 45.4 68 68 A F H > S+ 0 0 5 -16,-3.2 4,-3.1 -15,-0.3 -1,-0.2 0.931 114.1 48.6 -63.9 -49.7 11.0 60.8 43.7 69 69 A R H X S+ 0 0 115 -4,-2.5 4,-2.6 -17,-0.3 -2,-0.2 0.918 105.5 60.2 -58.0 -43.9 12.5 59.0 46.7 70 70 A A H X S+ 0 0 64 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.935 114.0 34.7 -47.6 -56.2 10.0 60.7 49.0 71 71 A L H X S+ 0 0 81 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.964 112.3 61.3 -62.2 -54.2 7.1 59.2 47.1 72 72 A E H X S+ 0 0 28 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.804 104.6 51.4 -41.9 -39.5 8.9 56.0 46.4 73 73 A G H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.965 107.9 45.9 -67.6 -56.2 9.2 55.4 50.1 74 74 A A H X S+ 0 0 64 -4,-1.4 4,-1.5 1,-0.3 -1,-0.2 0.836 112.3 55.8 -56.3 -32.2 5.6 55.8 51.2 75 75 A W H X S+ 0 0 47 -4,-2.4 4,-2.3 2,-0.2 -1,-0.3 0.929 106.5 49.3 -64.3 -46.1 4.8 53.6 48.2 76 76 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.940 108.6 51.3 -58.6 -51.0 7.1 50.9 49.6 77 77 A E H X S+ 0 0 115 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.862 109.9 54.5 -55.8 -33.0 5.5 51.2 53.0 78 78 A G H X S+ 0 0 31 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.938 106.5 46.5 -67.7 -49.0 2.2 50.7 51.1 79 79 A V H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.922 112.3 52.0 -60.6 -41.6 3.2 47.5 49.3 80 80 A V H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.921 106.9 54.5 -59.3 -42.2 4.5 46.1 52.6 81 81 A A H X S+ 0 0 57 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.870 104.0 53.8 -59.0 -39.9 1.1 47.0 54.2 82 82 A M H <>S+ 0 0 60 -4,-1.9 5,-2.7 2,-0.2 -1,-0.2 0.885 109.0 50.1 -63.1 -37.9 -0.7 45.0 51.5 83 83 A A H ><5S+ 0 0 0 -4,-1.8 3,-2.9 1,-0.2 -2,-0.2 0.968 110.8 46.4 -64.2 -54.0 1.4 42.0 52.3 84 84 A R H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.771 105.3 63.0 -59.9 -23.5 0.7 42.3 56.0 85 85 A A T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.522 131.1 -98.1 -77.5 -5.1 -2.9 42.7 55.0 86 86 A G T < 5S+ 0 0 42 -3,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.390 81.6 131.7 106.1 -2.7 -2.6 39.2 53.6 87 87 A A < - 0 0 33 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.676 58.5-125.0 -85.8 136.3 -1.9 39.9 50.0 88 88 A R E - c 0 31A 71 -58,-0.6 -56,-3.2 -2,-0.4 2,-0.5 -0.691 33.7-156.4 -79.7 125.8 1.0 38.0 48.4 89 89 A I E -ac 5 32A 0 -85,-1.5 -83,-2.4 -2,-0.5 2,-0.4 -0.914 17.7-169.4-116.6 127.7 3.2 40.6 46.8 90 90 A I E -ac 6 33A 0 -58,-3.9 -56,-2.5 -2,-0.5 2,-0.4 -0.911 11.8-175.1-107.8 135.7 5.7 40.3 44.0 91 91 A I E -ac 7 34A 0 -85,-2.9 -83,-3.4 -2,-0.4 2,-0.6 -0.939 11.9-168.6-137.2 114.3 8.0 43.3 43.4 92 92 A D E +ac 8 35A 15 -58,-1.4 -56,-1.2 -2,-0.4 -55,-0.3 -0.904 25.6 163.6-103.7 123.3 10.5 43.7 40.5 93 93 A D E -a 9 0A 14 -85,-3.4 -83,-1.4 -2,-0.6 2,-0.3 -0.565 39.1-126.2-125.1-175.0 12.8 46.6 41.1 94 94 A V - 0 0 24 -85,-0.2 2,-2.3 -2,-0.2 3,-0.2 -0.786 18.5-149.5-142.6 92.2 16.1 48.0 39.9 95 95 A F > + 0 0 2 -2,-0.3 3,-2.3 1,-0.2 6,-0.1 -0.390 24.7 169.7 -64.7 77.2 18.5 48.6 42.8 96 96 A L T 3 S+ 0 0 77 -2,-2.3 -1,-0.2 1,-0.3 3,-0.1 0.855 81.8 50.5 -58.8 -33.5 20.4 51.5 41.3 97 97 A G T > S- 0 0 45 1,-0.3 3,-1.8 -3,-0.2 -1,-0.3 0.194 98.4-156.3 -89.3 17.1 22.0 52.1 44.6 98 98 A G T X> S+ 0 0 5 -3,-2.3 4,-1.4 1,-0.3 3,-1.0 -0.153 74.8 7.6 46.6-129.1 22.9 48.4 44.8 99 99 A A H 3> S+ 0 0 40 51,-1.5 4,-1.8 1,-0.3 -1,-0.3 0.866 130.4 60.0 -46.6 -44.8 23.4 47.3 48.4 100 100 A A H <> S+ 0 0 68 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.895 102.1 53.0 -52.3 -44.4 22.0 50.7 49.5 101 101 A A H <> S+ 0 0 19 -3,-1.0 4,-2.0 -4,-0.3 -1,-0.2 0.884 106.9 51.7 -59.9 -41.8 18.8 50.0 47.7 102 102 A Q H X S+ 0 0 3 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.826 107.8 51.7 -66.6 -33.0 18.4 46.6 49.5 103 103 A E H X S+ 0 0 108 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.957 105.5 55.4 -67.5 -47.4 18.9 48.2 52.9 104 104 A R H X S+ 0 0 71 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.935 111.1 45.4 -48.4 -51.8 16.2 50.7 52.1 105 105 A W H >X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 3,-1.2 0.954 106.9 58.8 -57.2 -52.1 13.8 47.9 51.4 106 106 A R H 3X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.844 101.8 54.2 -46.0 -43.4 14.9 46.0 54.5 107 107 A S H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.845 114.2 41.2 -63.1 -34.7 13.8 48.8 56.8 108 108 A F H << S+ 0 0 39 -3,-1.2 -2,-0.2 -4,-1.2 -1,-0.2 0.887 111.5 56.1 -78.2 -41.6 10.3 48.9 55.2 109 109 A V H >< S+ 0 0 4 -4,-3.0 3,-1.6 1,-0.2 2,-0.2 0.846 81.5 176.9 -59.2 -37.9 10.0 45.1 55.1 110 110 A G T 3< - 0 0 52 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.475 67.7 -24.0 68.8-133.7 10.7 44.8 58.8 111 111 A D T 3 S+ 0 0 147 -2,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.138 99.8 136.4 -98.2 18.9 10.4 41.2 60.0 112 112 A L < - 0 0 13 -3,-1.6 2,-0.5 1,-0.1 -109,-0.0 -0.466 67.4-105.5 -70.4 132.3 8.2 40.3 57.1 113 113 A D + 0 0 56 -2,-0.2 -109,-1.5 -111,-0.2 -108,-1.1 -0.431 51.5 177.2 -62.9 112.0 9.1 37.0 55.4 114 114 A V E -b 5 0A 17 -2,-0.5 2,-0.7 -110,-0.2 -108,-0.2 -0.958 28.6-148.8-125.1 137.1 10.7 38.0 52.1 115 115 A L E -b 6 0A 8 -110,-2.9 -108,-2.3 -2,-0.4 2,-0.6 -0.899 19.5-150.7-104.0 107.8 12.3 36.0 49.3 116 116 A W E -b 7 0A 21 -2,-0.7 39,-3.9 -110,-0.2 40,-1.6 -0.697 17.3-173.4 -83.6 117.0 15.2 38.1 47.8 117 117 A V E -bd 8 156A 0 -110,-2.9 -108,-1.6 -2,-0.6 2,-0.5 -0.923 13.0-155.9-116.0 136.0 15.7 37.2 44.1 118 118 A G E -bd 9 157A 0 38,-2.8 40,-2.1 -2,-0.4 2,-0.7 -0.925 3.5-161.0-110.4 129.4 18.4 38.4 41.8 119 119 A V E - d 0 158A 0 -110,-3.2 -108,-0.3 -2,-0.5 2,-0.2 -0.903 18.1-178.8-113.3 103.4 17.8 38.5 38.1 120 120 A R E + d 0 159A 71 38,-3.0 40,-2.3 -2,-0.7 2,-0.3 -0.570 8.5 169.9 -99.5 163.3 21.1 38.6 36.1 121 121 A C - 0 0 6 24,-0.4 -110,-0.1 38,-0.2 -106,-0.1 -0.871 44.9 -89.7-172.4 136.7 21.8 38.8 32.4 122 122 A D > - 0 0 70 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 -0.282 37.3-133.5 -51.9 123.3 24.9 39.4 30.2 123 123 A G H > S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.887 105.5 47.8 -46.6 -49.1 25.0 43.1 29.7 124 124 A A H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.939 112.7 47.8 -60.2 -49.8 25.6 42.6 25.9 125 125 A V H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.946 113.8 48.6 -56.2 -48.3 22.8 40.1 25.6 126 126 A A H X S+ 0 0 3 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.951 109.8 51.2 -55.8 -52.3 20.5 42.5 27.6 127 127 A E H X S+ 0 0 101 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.906 110.5 50.2 -52.4 -44.9 21.6 45.4 25.4 128 128 A G H >X S+ 0 0 38 -4,-2.8 4,-1.8 1,-0.2 3,-0.7 0.934 111.5 46.6 -60.5 -45.5 20.7 43.3 22.4 129 129 A R H 3X S+ 0 0 88 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.848 103.0 65.2 -64.6 -32.6 17.3 42.5 23.8 130 130 A E H 3X S+ 0 0 3 -4,-2.9 4,-1.6 -5,-0.2 6,-0.4 0.845 104.6 46.4 -57.2 -34.9 16.9 46.1 24.7 131 131 A T H << S+ 0 0 106 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.947 108.0 52.3 -72.8 -51.3 16.9 46.8 20.9 132 132 A A H < S+ 0 0 94 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.788 109.8 55.0 -55.3 -27.6 14.4 44.0 20.0 133 133 A R H < S- 0 0 86 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.952 78.5-165.1 -71.6 -55.4 12.1 45.5 22.6 134 134 A G < + 0 0 66 -4,-1.6 -3,-0.1 2,-0.1 -1,-0.1 0.234 63.1 100.5 83.7 -14.1 11.9 49.1 21.3 135 135 A D S S+ 0 0 109 -5,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.837 72.0 50.9 -71.0 -42.3 10.5 50.1 24.7 136 136 A R S S- 0 0 74 -6,-0.4 2,-0.7 1,-0.0 -2,-0.1 -0.643 90.9 -94.0-105.3 162.4 13.5 51.6 26.5 137 137 A V > - 0 0 64 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.594 52.9-104.3 -74.9 109.8 16.1 54.2 25.7 138 138 A A T 3 S+ 0 0 76 -2,-0.7 -1,-0.1 1,-0.2 -11,-0.0 0.011 104.8 42.9 -34.9 119.5 19.2 52.4 24.2 139 139 A G T 3> S+ 0 0 16 -79,-0.1 4,-1.9 -12,-0.1 -1,-0.2 -0.146 81.3 90.9 134.7 -42.7 21.8 52.4 27.0 140 140 A M H <> S+ 0 0 15 -3,-1.6 4,-2.1 2,-0.2 5,-0.3 0.885 84.3 57.0 -52.7 -47.2 20.0 51.5 30.2 141 141 A A H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.968 110.4 40.6 -50.3 -67.2 20.6 47.7 29.8 142 142 A A H 34 S+ 0 0 45 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.833 114.8 55.9 -51.3 -37.1 24.3 47.8 29.6 143 143 A K H 3< S+ 0 0 98 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.829 118.1 29.2 -67.8 -34.6 24.4 50.5 32.3 144 144 A Q H > S+ 0 0 132 -4,-0.3 3,-2.0 -3,-0.2 4,-1.2 0.789 115.7 66.5-117.9 -54.8 26.0 44.8 36.9 147 147 A V G >4 S+ 0 0 70 -4,-0.4 3,-0.7 1,-0.3 -2,-0.1 0.840 95.2 64.6 -39.4 -46.8 26.1 47.7 39.3 148 148 A V G 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.3 -3,-0.1 0.821 105.5 42.6 -51.0 -36.9 22.6 46.9 40.5 149 149 A H G X4 S+ 0 0 6 -3,-2.0 3,-3.1 -5,-0.3 -1,-0.3 0.749 82.7 123.4 -83.0 -23.5 23.7 43.6 42.0 150 150 A E T << S- 0 0 137 -4,-1.2 -51,-1.5 -3,-0.7 3,-0.1 -0.130 91.5 -6.1 -44.5 101.3 26.9 45.0 43.4 151 151 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 -53,-0.2 -1,-0.3 0.361 98.7 132.1 93.2 -5.5 26.7 44.2 47.2 152 152 A V < - 0 0 14 -3,-3.1 2,-0.5 -57,-0.1 -1,-0.3 -0.649 47.2-144.8 -84.5 134.6 23.2 42.8 47.2 153 153 A E - 0 0 128 -2,-0.3 2,-0.2 -54,-0.1 -3,-0.0 -0.868 21.0-170.8-100.3 125.9 22.5 39.5 49.0 154 154 A Y - 0 0 32 -2,-0.5 -37,-0.2 1,-0.1 3,-0.1 -0.626 31.5-148.0-111.3 171.2 19.9 37.2 47.4 155 155 A D S S+ 0 0 92 -39,-3.9 2,-0.3 1,-0.4 -38,-0.2 0.561 94.2 17.9-105.8 -20.6 18.1 34.0 48.4 156 156 A V E -d 117 0A 13 -40,-1.6 -38,-2.8 2,-0.0 -1,-0.4 -0.972 67.5-163.0-153.4 135.8 17.9 32.9 44.8 157 157 A E E -d 118 0A 110 -2,-0.3 2,-0.4 -40,-0.2 -38,-0.2 -0.922 7.2-176.6-120.5 145.6 19.8 34.0 41.7 158 158 A V E -d 119 0A 12 -40,-2.1 -38,-3.0 -2,-0.4 2,-0.6 -0.996 14.7-152.5-142.0 139.2 18.7 33.4 38.1 159 159 A D E >> -d 120 0A 75 -2,-0.4 3,-0.8 -40,-0.2 4,-0.5 -0.942 4.1-169.4-116.1 109.8 20.6 34.3 34.9 160 160 A T T 34 + 0 0 4 -40,-2.3 -39,-0.2 -2,-0.6 -1,-0.1 0.335 66.5 97.6 -78.8 8.2 18.2 34.8 32.0 161 161 A T T 34 S+ 0 0 20 -41,-0.2 -1,-0.2 1,-0.2 -40,-0.1 0.912 109.6 2.4 -62.9 -43.2 21.2 34.8 29.6 162 162 A H T <4 S+ 0 0 177 -3,-0.8 2,-0.4 2,-0.1 -1,-0.2 0.262 120.5 83.3-127.0 9.9 20.7 31.2 28.7 163 163 A K S < S- 0 0 124 -4,-0.5 -5,-0.0 4,-0.0 -1,-0.0 -0.959 74.3-124.1-119.6 133.6 17.5 30.3 30.7 164 164 A E > - 0 0 133 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.226 25.5-114.8 -66.6 162.2 14.0 31.0 29.6 165 165 A S H > S+ 0 0 37 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.962 116.0 54.3 -63.7 -54.0 11.7 33.0 31.8 166 166 A I H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 111.7 49.5 -48.7 -37.0 9.3 30.2 32.5 167 167 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.981 109.8 46.4 -67.5 -57.9 12.4 28.3 33.6 168 168 A C H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.883 111.2 56.6 -51.2 -38.4 13.7 31.0 35.9 169 169 A A H X S+ 0 0 0 -4,-3.4 4,-3.6 1,-0.2 -1,-0.3 0.944 104.8 50.3 -57.6 -51.4 10.2 31.3 37.3 170 170 A W H X S+ 0 0 147 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 108.7 51.6 -55.1 -43.2 10.2 27.6 38.2 171 171 A A H < S+ 0 0 44 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.884 115.2 43.4 -62.2 -39.3 13.5 27.9 40.0 172 172 A I H >< S+ 0 0 0 -4,-2.0 3,-2.7 -5,-0.2 4,-0.4 0.939 108.1 55.7 -72.0 -50.1 12.1 30.8 42.0 173 173 A A H >< S+ 0 0 19 -4,-3.6 3,-1.9 1,-0.3 -2,-0.2 0.866 97.6 67.4 -50.9 -36.8 8.7 29.3 42.7 174 174 A A T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.611 100.4 48.5 -60.8 -14.7 10.6 26.4 44.2 175 175 A H T < S+ 0 0 96 -3,-2.7 2,-0.7 -4,-0.1 -1,-0.3 0.409 84.5 107.1-105.6 -1.2 11.8 28.6 47.0 176 176 A V < - 0 0 23 -3,-1.9 -174,-0.1 -4,-0.4 -170,-0.0 -0.705 62.3-147.1 -83.4 115.6 8.4 30.1 47.8 177 177 A V 0 0 48 -2,-0.7 -174,-2.3 -176,-0.3 -2,-0.1 -0.709 360.0 360.0 -83.4 127.7 7.1 28.7 51.1 178 178 A P 0 0 136 0, 0.0 -175,-0.1 0, 0.0 -1,-0.1 -0.149 360.0 360.0 -75.5 360.0 3.3 28.3 51.1