==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-00 1EH7 . COMPND 2 MOLECULE: O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.S.DANIELS,J.A.TAINER . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 9.9 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 . 1 0.6 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 0 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 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 5 A C 0 0 109 0, 0.0 2,-0.7 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 68.7 -0.7 17.7 18.2 2 6 A E - 0 0 125 1,-0.1 2,-0.3 0, 0.0 19,-0.2 -0.547 360.0-136.0 -69.7 109.6 2.9 16.4 19.0 3 7 A M - 0 0 48 -2,-0.7 2,-0.3 17,-0.1 17,-0.2 -0.522 21.1-170.1 -75.7 125.1 4.9 19.6 19.7 4 8 A K E -A 19 0A 82 15,-3.4 15,-2.5 -2,-0.3 2,-0.3 -0.859 7.0-164.7-112.4 148.1 8.4 19.9 18.2 5 9 A R E +A 18 0A 140 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.934 15.6 170.4-136.1 158.1 10.9 22.6 19.1 6 10 A T E -A 17 0A 8 11,-1.8 11,-3.0 -2,-0.3 2,-0.4 -0.968 23.4-131.8-157.7 154.6 14.1 24.3 17.9 7 11 A T E -A 16 0A 36 -2,-0.3 31,-3.2 9,-0.2 2,-0.4 -0.927 14.0-168.5-118.7 142.3 16.1 27.3 19.0 8 12 A L E -AB 15 37A 5 7,-3.0 7,-2.9 -2,-0.4 29,-0.2 -0.979 16.2-139.2-131.3 119.4 17.5 30.1 16.8 9 13 A D + 0 0 74 27,-0.6 26,-0.4 -2,-0.4 5,-0.2 -0.484 34.5 160.9 -74.5 149.2 20.0 32.7 18.0 10 14 A S > - 0 0 24 3,-0.1 3,-2.1 -2,-0.1 44,-0.0 -0.929 57.5 -84.2-156.5 176.0 19.4 36.2 16.8 11 15 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.709 129.4 52.6 -62.5 -18.3 20.2 39.9 17.4 12 16 A L T 3 S- 0 0 24 1,-0.4 19,-0.2 142,-0.0 2,-0.2 0.418 123.2-102.8 -94.8 -2.2 17.3 39.8 19.9 13 17 A G < - 0 0 20 -3,-2.1 -1,-0.4 17,-0.1 2,-0.2 -0.539 69.7 -12.9 107.2-177.1 18.7 36.8 21.7 14 18 A K - 0 0 80 -5,-0.2 16,-3.2 -2,-0.2 2,-0.5 -0.388 62.2-156.9 -64.5 126.3 17.8 33.1 21.6 15 19 A L E -AC 8 29A 0 -7,-2.9 -7,-3.0 14,-0.2 2,-0.6 -0.913 3.1-150.7-108.4 125.8 14.4 32.5 19.9 16 20 A E E -AC 7 28A 46 12,-3.3 12,-2.5 -2,-0.5 2,-0.5 -0.856 11.5-166.1 -98.9 119.5 12.5 29.3 20.7 17 21 A L E +AC 6 27A 0 -11,-3.0 -11,-1.8 -2,-0.6 2,-0.4 -0.902 9.3 179.9-106.5 125.8 10.3 28.1 17.8 18 22 A S E +AC 5 26A 4 8,-2.3 7,-2.7 -2,-0.5 8,-1.9 -0.964 15.5 122.5-128.5 144.4 7.6 25.5 18.5 19 23 A G E -AC 4 24A 0 -15,-2.5 -15,-3.4 -2,-0.4 5,-0.2 -0.985 36.5-126.8-175.0-177.3 5.1 23.8 16.3 20 24 A C E > - C 0 23A 5 3,-2.3 3,-1.0 -2,-0.3 26,-0.1 -0.736 49.4 -77.6-136.9-175.5 3.6 20.7 14.8 21 25 A E T 3 S+ 0 0 148 1,-0.3 3,-0.1 -19,-0.2 23,-0.1 0.817 128.0 54.1 -58.5 -32.4 2.7 19.2 11.4 22 26 A Q T 3 S- 0 0 129 1,-0.2 2,-0.3 50,-0.1 -1,-0.3 0.710 121.9 -61.3 -77.8 -20.9 -0.3 21.4 11.2 23 27 A G E < -C 20 0A 0 -3,-1.0 -3,-2.3 49,-0.1 48,-0.3 -0.899 61.9 -48.2 159.4 171.8 1.6 24.7 11.9 24 28 A L E -Cd 19 71A 0 46,-3.4 48,-2.2 -2,-0.3 49,-0.7 -0.514 40.2-177.4 -70.6 132.3 3.8 27.1 13.8 25 29 A H E - 0 0 16 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.874 55.7 -4.9 -97.9 -51.6 2.6 27.5 17.4 26 30 A E E -C 18 0A 73 -8,-1.9 -8,-2.3 100,-0.1 2,-0.5 -0.997 37.9-155.7-152.5 152.2 4.9 30.0 19.0 27 31 A I E -C 17 0A 3 98,-2.6 2,-0.5 -2,-0.3 -10,-0.2 -0.987 30.5-173.1-124.7 112.9 8.0 32.2 18.6 28 32 A K E -C 16 0A 98 -12,-2.5 -12,-3.3 -2,-0.5 2,-0.6 -0.943 21.8-140.7-119.4 129.3 9.4 33.0 22.0 29 33 A L E -C 15 0A 52 -2,-0.5 -14,-0.2 -14,-0.2 -15,-0.1 -0.760 12.3-171.1 -85.8 118.6 12.2 35.3 23.0 30 34 A L 0 0 83 -16,-3.2 -1,-0.1 -2,-0.6 -15,-0.1 0.547 360.0 360.0 -86.0 -8.0 14.3 33.7 25.7 31 35 A G 0 0 85 -17,-0.4 -16,-0.1 -19,-0.2 -2,-0.1 -0.107 360.0 360.0 110.2 360.0 16.3 36.9 26.3 32 ! 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 33 46 A V 0 0 176 0, 0.0 25,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 119.8 26.4 36.8 12.8 34 47 A P - 0 0 82 0, 0.0 -24,-0.1 0, 0.0 20,-0.0 -0.307 360.0-158.4 -57.8 134.9 23.7 34.6 11.2 35 48 A A - 0 0 23 -26,-0.4 2,-0.2 19,-0.0 3,-0.0 -0.829 9.6-126.6-119.0 157.1 22.9 31.5 13.2 36 49 A P - 0 0 104 0, 0.0 -27,-0.6 0, 0.0 2,-0.3 -0.527 37.3 -92.6 -94.8 165.2 21.4 28.1 12.4 37 50 A A B -B 8 0A 11 -2,-0.2 -29,-0.2 -29,-0.2 3,-0.1 -0.606 33.4-128.5 -75.9 137.7 18.4 26.5 14.2 38 51 A A S S+ 0 0 69 -31,-3.2 2,-0.5 -2,-0.3 -1,-0.1 0.821 98.6 38.6 -56.4 -35.4 19.8 24.2 16.9 39 52 A V S S- 0 0 93 -32,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.968 81.3-156.4-121.9 115.0 17.7 21.3 15.7 40 53 A L + 0 0 145 -2,-0.5 2,-0.1 -3,-0.1 7,-0.0 -0.435 47.1 49.8 -86.9 163.2 17.3 20.9 11.9 41 54 A G S S- 0 0 41 -2,-0.1 -2,-0.1 3,-0.1 5,-0.0 -0.334 70.0 -2.8 103.5 174.3 14.5 19.1 10.0 42 55 A G + 0 0 52 -2,-0.1 2,-0.2 4,-0.1 -21,-0.1 0.183 55.8 102.7 -57.5-178.8 10.7 19.1 10.0 43 56 A P >> - 0 0 4 0, 0.0 4,-1.4 0, 0.0 3,-1.3 0.531 68.3-131.9 -66.3 155.7 8.0 19.7 10.7 44 57 A E H 3> S+ 0 0 121 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.834 101.3 57.7 -48.2 -46.8 7.7 22.0 7.7 45 58 A P H 3> S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.839 106.8 51.7 -58.7 -27.9 6.2 25.0 9.4 46 59 A L H <> S+ 0 0 7 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.906 110.2 46.7 -73.6 -41.4 9.2 25.1 11.7 47 60 A M H X S+ 0 0 86 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.886 112.6 50.9 -66.8 -39.0 11.7 25.0 8.9 48 61 A Q H X S+ 0 0 48 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.875 109.3 50.8 -65.8 -37.1 9.7 27.7 7.1 49 62 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.905 109.2 51.0 -67.9 -39.6 9.8 29.8 10.2 50 63 A T H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 112.4 45.5 -62.6 -45.7 13.5 29.4 10.6 51 64 A A H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.889 113.0 51.5 -65.7 -38.0 14.1 30.5 7.0 52 65 A W H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.950 112.4 44.3 -64.0 -49.8 11.7 33.4 7.4 53 66 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.911 110.6 53.9 -62.9 -44.1 13.4 34.7 10.5 54 67 A N H X S+ 0 0 57 -4,-2.4 4,-3.0 -5,-0.2 5,-0.4 0.939 113.2 44.7 -55.8 -45.0 16.9 34.3 9.1 55 68 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 3,-0.2 -2,-0.2 0.913 108.8 56.4 -65.2 -43.3 15.8 36.4 6.2 56 69 A Y H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.914 119.8 30.4 -56.1 -44.5 14.0 39.0 8.3 57 70 A F H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.879 136.7 21.9 -82.6 -38.9 17.2 39.6 10.3 58 71 A H H < S+ 0 0 69 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.575 132.6 27.6-111.8 -12.6 19.9 39.0 7.7 59 72 A Q >< + 0 0 107 -4,-2.4 3,-2.0 -5,-0.4 4,-0.2 -0.320 67.0 157.4-143.6 54.3 18.4 39.3 4.2 60 73 A P G > + 0 0 37 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.746 66.6 67.1 -53.0 -30.8 15.5 41.8 4.8 61 74 A E G 3 S+ 0 0 192 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.754 106.9 42.9 -65.1 -20.7 15.4 42.9 1.1 62 75 A A G X> S+ 0 0 9 -3,-2.0 3,-1.9 -7,-0.2 4,-0.6 0.281 78.1 112.7-107.1 9.8 14.2 39.4 0.3 63 76 A I G X4 S+ 0 0 12 -3,-1.4 3,-1.2 1,-0.3 -1,-0.1 0.843 71.4 59.8 -52.3 -39.5 11.7 38.9 3.2 64 77 A E G 34 S+ 0 0 138 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.700 95.1 66.1 -64.7 -18.0 8.6 38.9 0.9 65 78 A E G <4 S+ 0 0 157 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.790 83.3 89.8 -72.6 -29.0 10.0 35.9 -1.0 66 79 A F S << S- 0 0 49 -3,-1.2 -18,-0.0 -4,-0.6 2,-0.0 -0.560 81.1-120.0 -80.3 124.8 9.7 33.6 2.0 67 80 A P - 0 0 79 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 -0.323 23.3-125.5 -61.6 137.5 6.5 31.7 2.6 68 81 A V - 0 0 72 1,-0.1 -19,-0.1 -16,-0.1 3,-0.1 -0.729 32.1-120.2 -82.6 127.6 4.7 32.4 5.8 69 82 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.246 28.8 -95.9 -68.5 158.3 4.1 29.1 7.7 70 83 A A - 0 0 59 1,-0.1 -46,-3.4 2,-0.0 2,-0.4 -0.434 40.3-133.1 -69.3 148.9 0.7 27.9 8.6 71 84 A L B +d 24 0A 34 -48,-0.3 -46,-0.2 1,-0.1 -52,-0.1 -0.901 31.5 167.5-110.2 135.4 -0.3 28.8 12.2 72 85 A H + 0 0 31 -48,-2.2 -47,-0.2 -2,-0.4 -49,-0.1 0.199 28.2 130.9-131.5 17.2 -1.8 26.3 14.6 73 86 A H S >> S- 0 0 46 -49,-0.7 3,-2.6 1,-0.1 4,-0.7 -0.463 73.0-108.9 -68.0 145.0 -1.7 28.0 18.0 74 87 A P H >> S+ 0 0 69 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.766 116.1 68.6 -47.3 -28.8 -5.2 27.7 19.7 75 88 A V H 34 S+ 0 0 30 1,-0.3 8,-0.1 2,-0.2 3,-0.0 0.780 104.2 43.1 -64.1 -24.5 -5.7 31.4 19.2 76 89 A F H <4 S+ 0 0 11 -3,-2.6 -1,-0.3 1,-0.1 -5,-0.1 0.565 101.2 71.2 -95.5 -10.2 -6.0 30.8 15.5 77 90 A Q H << S+ 0 0 98 -4,-0.7 2,-0.4 -3,-0.7 -2,-0.2 0.802 101.1 41.4 -75.3 -30.4 -8.1 27.7 15.8 78 91 A Q S < S- 0 0 148 -4,-1.0 5,-0.2 -3,-0.0 -1,-0.1 -0.929 89.7-104.0-124.2 146.6 -11.3 29.6 16.9 79 92 A E + 0 0 127 -2,-0.4 2,-0.3 4,-0.1 3,-0.1 -0.327 54.8 138.7 -64.3 143.3 -12.9 32.8 15.8 80 93 A S > - 0 0 47 1,-0.1 4,-2.4 -4,-0.0 5,-0.2 -0.928 65.6-102.4-176.8 158.6 -12.4 35.8 18.1 81 94 A F H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 122.5 57.0 -60.4 -36.9 -11.7 39.6 17.9 82 95 A T H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 108.3 44.9 -59.2 -46.2 -8.2 38.7 18.8 83 96 A R H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.884 111.5 53.2 -66.2 -38.1 -7.8 36.4 15.9 84 97 A Q H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 112.0 46.4 -61.2 -44.0 -9.4 38.9 13.5 85 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.956 112.9 47.7 -62.7 -53.8 -6.9 41.5 14.7 86 99 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.904 113.4 47.8 -56.6 -45.3 -3.8 39.3 14.4 87 100 A W H X S+ 0 0 106 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.881 111.8 50.0 -64.9 -38.9 -4.8 38.1 10.9 88 101 A K H X S+ 0 0 75 -4,-2.0 4,-2.9 -5,-0.2 5,-0.4 0.945 111.9 47.6 -64.4 -47.9 -5.5 41.6 9.7 89 102 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.933 112.9 49.3 -57.5 -47.6 -2.1 42.8 11.1 90 103 A L H < S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.913 116.2 42.4 -58.4 -45.3 -0.3 39.9 9.4 91 104 A K H < S+ 0 0 183 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.876 124.9 28.8 -72.3 -39.4 -2.0 40.5 6.1 92 105 A V H < S+ 0 0 66 -4,-2.9 2,-1.0 -5,-0.2 -3,-0.2 0.870 98.1 73.5 -95.1 -42.4 -1.8 44.2 5.9 93 106 A V < - 0 0 6 -4,-1.7 -1,-0.1 -5,-0.4 3,-0.1 -0.679 64.3-174.0 -89.0 103.5 1.2 45.7 7.7 94 107 A K > - 0 0 97 -2,-1.0 3,-2.6 1,-0.2 -2,-0.0 -0.236 38.5 -58.3 -89.5 173.6 4.4 45.0 5.8 95 108 A F T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -35,-0.1 3,-0.1 -0.255 126.0 15.0 -51.9 126.9 8.2 45.6 6.4 96 109 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.317 106.7 106.2 88.9 -9.7 8.8 49.3 7.0 97 110 A E < - 0 0 75 -3,-2.6 -1,-0.3 2,-0.0 2,-0.3 -0.639 47.8-166.1-102.3 160.8 5.1 50.1 7.5 98 111 A V - 0 0 63 -2,-0.2 2,-0.3 -3,-0.1 37,-0.2 -0.930 4.1-161.7-140.2 163.3 3.3 51.0 10.8 99 112 A I E -e 135 0B 12 35,-2.6 37,-2.5 -2,-0.3 2,-0.1 -0.992 21.2-120.1-147.3 143.6 -0.3 51.3 11.9 100 113 A S E > -e 136 0B 15 -2,-0.3 4,-2.2 35,-0.2 5,-0.2 -0.461 29.3-113.5 -81.3 159.1 -1.9 53.0 14.9 101 114 A Y H > S+ 0 0 43 35,-1.1 4,-1.9 1,-0.2 5,-0.1 0.885 119.6 52.0 -57.8 -37.7 -3.9 51.0 17.4 102 115 A Q H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 107.5 49.3 -67.5 -42.0 -7.0 52.9 16.2 103 116 A Q H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 111.8 49.4 -64.6 -39.1 -6.4 52.1 12.5 104 117 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.895 109.3 52.1 -67.7 -38.0 -6.0 48.4 13.2 105 118 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 -5,-0.2 -2,-0.2 0.955 111.2 47.2 -60.5 -49.0 -9.2 48.5 15.3 106 119 A A H ><5S+ 0 0 47 -4,-2.5 3,-1.9 5,-0.3 -2,-0.2 0.905 110.0 53.0 -57.2 -44.3 -11.0 50.0 12.4 107 120 A L H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.885 106.4 53.8 -58.9 -39.3 -9.4 47.4 10.1 108 121 A A T 3<5S- 0 0 6 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.424 129.3 -98.7 -76.6 1.0 -10.8 44.7 12.4 109 122 A G T < 5S+ 0 0 63 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.465 100.6 81.3 99.1 0.5 -14.2 46.2 12.1 110 123 A N > < - 0 0 75 -5,-2.4 3,-2.2 -6,-0.2 -2,-0.1 -0.759 50.5-169.8-144.5 95.7 -14.6 48.4 15.2 111 124 A P T 3 S+ 0 0 91 0, 0.0 -5,-0.3 0, 0.0 3,-0.3 0.636 89.6 56.0 -56.5 -17.4 -13.0 51.9 15.2 112 125 A K T 3 S+ 0 0 195 1,-0.2 3,-0.4 -7,-0.2 4,-0.1 0.385 84.4 85.0 -99.1 4.1 -13.6 52.2 19.0 113 126 A A <> + 0 0 13 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.095 43.3 125.8 -99.6 37.1 -11.8 49.0 20.0 114 127 A A H > S+ 0 0 27 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.882 76.0 51.0 -60.5 -39.1 -8.2 50.4 20.2 115 128 A R H > S+ 0 0 228 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.929 109.6 49.2 -65.7 -42.8 -7.8 49.1 23.8 116 129 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 110.1 53.3 -62.5 -34.7 -9.0 45.6 22.8 117 130 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.938 107.0 50.9 -64.3 -46.4 -6.5 45.8 19.9 118 131 A G H X S+ 0 0 22 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.891 111.5 48.2 -57.8 -40.1 -3.7 46.7 22.4 119 132 A G H < S+ 0 0 37 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.859 106.2 57.8 -68.3 -35.2 -4.7 43.7 24.5 120 133 A A H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.847 98.0 60.5 -63.7 -34.9 -4.8 41.5 21.4 121 134 A M H >< S+ 0 0 13 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.886 101.4 54.1 -59.9 -38.6 -1.1 42.3 20.7 122 135 A R T 3< S+ 0 0 189 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.628 103.9 56.1 -70.9 -13.9 -0.2 40.8 24.0 123 136 A G T < S+ 0 0 39 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.295 77.7 120.2 -99.5 9.0 -1.9 37.6 23.0 124 137 A N < - 0 0 15 -3,-1.5 -3,-0.0 1,-0.2 -41,-0.0 -0.643 41.1-173.6 -78.4 115.4 0.2 37.3 19.9 125 138 A P S S+ 0 0 9 0, 0.0 -98,-2.6 0, 0.0 -1,-0.2 0.625 78.0 50.8 -82.9 -15.2 2.1 33.9 20.1 126 139 A V S > S- 0 0 0 -100,-0.2 4,-2.3 -109,-0.0 -98,-0.1 -0.578 75.8-176.7-124.7 70.4 4.1 34.6 17.0 127 140 A P B 4 +f 130 0C 15 0, 0.0 2,-2.6 0, 0.0 -6,-0.0 -0.151 67.9 21.1 -62.4 163.0 5.8 38.1 17.2 128 141 A I T 4 S+ 0 0 2 2,-0.6 6,-0.1 1,-0.2 -2,-0.0 -0.402 122.0 59.4 74.4 -61.1 7.8 39.5 14.4 129 142 A L T 4 S+ 0 0 5 -2,-2.6 -1,-0.2 1,-0.3 -61,-0.0 0.925 114.9 36.0 -59.8 -48.1 6.1 37.1 11.9 130 143 A I B < S-f 127 0C 0 -4,-2.3 2,-2.2 -39,-0.0 -2,-0.6 -0.954 106.6-133.2-103.3 106.2 2.8 38.7 12.9 131 144 A P > + 0 0 1 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.318 49.1 152.9 -64.6 63.5 4.2 42.3 13.3 132 145 A X G > S+ 0 0 4 -2,-2.2 3,-1.2 1,-0.3 -11,-0.1 0.740 72.2 69.5 -64.5 -17.2 2.8 43.5 16.7 133 146 A H G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -3,-0.2 23,-0.1 0.682 90.7 60.3 -73.4 -14.6 6.0 45.7 16.7 134 147 A R G < S+ 0 0 14 -3,-2.1 -35,-2.6 -41,-0.1 2,-0.8 0.376 80.6 96.1 -91.6 1.9 4.5 47.8 13.8 135 148 A V E < +e 99 0B 1 -3,-1.2 -35,-0.2 -37,-0.2 2,-0.2 -0.859 58.6 159.9 -95.8 113.4 1.4 48.8 15.9 136 149 A V E -e 100 0B 20 -37,-2.5 -35,-1.1 -2,-0.8 2,-0.2 -0.666 39.6 -71.0-128.2-179.0 2.2 52.2 17.3 137 150 A C > - 0 0 35 4,-1.9 3,-1.8 -2,-0.2 -1,-0.1 -0.482 26.5-134.8 -79.5 143.0 0.7 55.4 18.8 138 151 A S T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 -38,-0.1 0.713 106.8 66.9 -65.7 -18.1 -1.2 58.0 16.8 139 152 A S T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.584 121.1-106.4 -77.9 -11.9 0.9 60.5 18.7 140 153 A G S < S+ 0 0 70 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.223 79.8 130.2 103.7 -13.5 4.1 59.3 16.9 141 154 A A - 0 0 49 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.4 -0.379 66.9-122.0 -72.6 153.0 5.4 57.5 20.0 142 155 A V - 0 0 19 -6,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.881 47.6-152.1 -63.1 -40.6 6.6 53.9 19.7 143 156 A G - 0 0 17 -7,-0.2 -1,-0.1 2,-0.0 9,-0.1 -0.026 28.3 -42.0 87.3 165.0 4.1 52.7 22.4 144 157 A N - 0 0 120 8,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.133 51.8-158.8 -62.7 158.9 4.2 49.7 24.8 145 158 A Y > - 0 0 13 1,-0.1 3,-2.2 -23,-0.0 4,-0.1 -0.982 23.5-138.4-146.2 131.4 5.5 46.3 23.7 146 159 A S T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.797 110.7 45.0 -57.1 -28.4 4.9 42.8 25.3 147 160 A G T 3 S- 0 0 38 1,-0.2 -1,-0.3 -3,-0.1 4,-0.2 0.273 128.1 -83.2-100.4 11.6 8.5 42.1 24.7 148 161 A G <> - 0 0 32 -3,-2.2 4,-2.0 2,-0.1 3,-0.4 0.198 34.3 -94.1 99.6 141.7 9.9 45.4 26.0 149 162 A L H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.864 120.2 56.2 -55.2 -44.9 10.4 48.9 24.6 150 163 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 108.2 48.5 -59.1 -38.6 14.0 48.3 23.6 151 164 A V H > S+ 0 0 30 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.932 111.2 49.1 -68.0 -44.9 13.0 45.3 21.5 152 165 A K H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 113.4 47.8 -60.3 -43.1 10.2 47.1 19.7 153 166 A E H X S+ 0 0 74 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.849 108.7 53.7 -67.2 -35.1 12.6 50.0 19.0 154 167 A W H X S+ 0 0 95 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.944 111.2 46.1 -64.7 -46.2 15.3 47.6 17.7 155 168 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.918 114.5 46.9 -62.5 -44.4 12.8 46.1 15.2 156 169 A L H ><>S+ 0 0 4 -4,-2.3 5,-2.0 1,-0.2 3,-0.8 0.926 113.0 48.8 -64.8 -43.2 11.5 49.4 14.1 157 170 A A H ><5S+ 0 0 37 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.888 105.7 58.7 -61.9 -37.9 15.0 50.8 13.7 158 171 A H H 3<5S+ 0 0 53 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.778 104.8 52.6 -61.3 -25.5 15.9 47.6 11.7 159 172 A E T <<5S- 0 0 14 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.241 131.6 -87.1 -98.2 13.7 13.1 48.6 9.3 160 173 A G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.393 78.8 139.9 102.2 -4.0 14.3 52.2 8.7 161 174 A H < - 0 0 59 -5,-2.0 2,-2.1 -6,-0.1 -1,-0.3 -0.433 63.1-112.7 -74.5 149.6 12.7 54.2 11.4 162 175 A R 0 0 253 -2,-0.1 -1,-0.1 0, 0.0 -5,-0.1 -0.419 360.0 360.0 -81.8 65.5 14.9 56.9 13.0 163 176 A L 0 0 108 -2,-2.1 -3,-0.1 -10,-0.2 -10,-0.0 -0.736 360.0 360.0-127.6 360.0 15.2 55.2 16.4