==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LAYSE, TOXIN 04-FEB-05 1YRT . COMPND 2 MOLECULE: BIFUNCTIONAL HEMOLYSIN-ADENYLATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR Q.GUO,Y.SHEN,Y.S.LEE,C.S.GIBBS,M.MRKSICH,W.J.TANG . 420 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 13.1 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 3 2 1 2 0 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 4 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 7 A A 0 0 127 0, 0.0 15,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0-138.1 -11.6 19.4 81.5 2 8 A G - 0 0 36 13,-0.2 13,-0.1 12,-0.0 14,-0.1 0.794 360.0 -18.3-171.5 104.9 -11.4 23.0 82.6 3 9 A Y - 0 0 50 12,-0.2 12,-0.0 11,-0.1 13,-0.0 0.453 62.9-171.7 65.0 88.2 -7.9 24.2 83.4 4 10 A A + 0 0 64 -2,-0.1 2,-0.3 2,-0.0 3,-0.1 0.498 58.2 6.3 -81.3 8.7 -5.6 21.4 84.0 5 11 A N S > S- 0 0 59 1,-0.1 4,-1.4 306,-0.0 5,-0.1 -0.949 83.2 -84.4-163.4-178.5 -2.5 22.9 85.3 6 12 A A H > S+ 0 0 62 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.924 121.1 56.5 -65.9 -44.1 -0.8 26.1 86.4 7 13 A A H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 103.8 53.7 -57.0 -44.2 0.1 27.1 82.9 8 14 A D H 4 S+ 0 0 0 1,-0.2 5,-0.4 2,-0.2 4,-0.4 0.904 112.6 44.6 -53.9 -45.4 -3.5 27.0 81.8 9 15 A R H >< S+ 0 0 153 -4,-1.4 3,-0.6 1,-0.2 -1,-0.2 0.799 112.6 50.8 -72.0 -28.7 -4.4 29.3 84.6 10 16 A E H 3< S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.651 92.6 77.8 -81.4 -17.5 -1.5 31.6 83.9 11 17 A S T 3< S- 0 0 1 -4,-1.5 26,-3.0 -3,-0.3 -1,-0.2 0.744 93.8-135.2 -62.7 -25.4 -2.4 31.9 80.3 12 18 A G < + 0 0 6 -3,-0.6 -1,-0.1 -4,-0.4 -3,-0.1 0.407 61.2 134.9 82.0 -4.6 -5.2 34.3 81.0 13 19 A I - 0 0 1 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.677 65.2-109.2 -81.4 127.5 -7.4 32.3 78.6 14 20 A P > - 0 0 5 0, 0.0 4,-2.8 0, 0.0 3,-0.3 -0.269 29.1-119.0 -55.3 138.7 -11.0 31.6 80.0 15 21 A A H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -12,-0.2 0.847 109.7 46.4 -49.3 -45.5 -11.3 27.8 80.9 16 22 A A H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.894 114.6 47.2 -69.8 -40.8 -14.2 27.0 78.4 17 23 A V H > S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 3,-0.2 0.915 111.5 51.7 -61.1 -45.3 -12.5 28.8 75.5 18 24 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.862 103.5 60.1 -61.8 -35.3 -9.2 27.0 76.4 19 25 A D H X S+ 0 0 52 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.914 105.9 46.3 -61.2 -41.0 -11.1 23.7 76.3 20 26 A G H X S+ 0 0 5 -4,-1.4 4,-3.0 -3,-0.2 -1,-0.2 0.877 108.7 56.5 -67.9 -35.2 -12.0 24.4 72.7 21 27 A I H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.899 107.4 47.4 -61.6 -43.7 -8.4 25.4 71.8 22 28 A K H X S+ 0 0 27 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.902 112.3 50.7 -66.0 -41.4 -7.1 22.1 73.1 23 29 A A H X S+ 0 0 17 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.925 112.5 46.4 -61.2 -41.8 -9.8 20.2 71.1 24 30 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.924 106.5 58.0 -68.4 -40.3 -8.9 22.1 68.0 25 31 A A H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.903 113.7 40.1 -52.6 -44.5 -5.1 21.5 68.5 26 32 A K H <5S+ 0 0 108 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.915 114.2 51.3 -75.0 -38.5 -5.8 17.8 68.5 27 33 A E H <5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.876 119.4 34.8 -66.9 -41.9 -8.4 17.8 65.7 28 34 A K T <5S- 0 0 41 -4,-2.8 163,-0.3 -5,-0.2 -1,-0.2 0.406 106.6-127.7 -93.4 -0.8 -6.3 19.7 63.2 29 35 A N T 5 + 0 0 47 -3,-0.4 162,-2.5 -4,-0.4 2,-0.3 0.939 63.2 128.1 51.6 67.6 -3.0 18.1 64.5 30 36 A A E < -A 190 0A 0 -5,-2.0 2,-0.4 160,-0.2 -1,-0.2 -0.997 61.7-123.3-150.2 140.3 -1.2 21.3 65.1 31 37 A T E -A 189 0A 0 158,-2.6 158,-2.8 -2,-0.3 2,-0.5 -0.717 30.7-157.1 -85.1 130.3 0.8 22.9 68.1 32 38 A L E -AB 188 304A 1 272,-2.9 272,-3.0 -2,-0.4 2,-0.4 -0.950 7.7-167.8-112.9 133.2 -0.8 26.3 68.9 33 39 A M E -AB 187 303A 0 154,-2.3 153,-2.4 -2,-0.5 154,-1.3 -0.962 5.3-170.8-124.7 143.3 1.2 29.0 70.8 34 40 A F E -AB 185 302A 0 268,-3.0 268,-2.7 -2,-0.4 2,-0.3 -0.929 26.8-121.9-134.9 153.2 -0.2 32.1 72.4 35 41 A R E - B 0 301A 49 149,-2.8 149,-0.2 -2,-0.3 266,-0.1 -0.623 57.0 -89.0 -84.5 147.9 1.0 35.3 73.9 36 42 A L - 0 0 78 264,-0.5 2,-0.4 -2,-0.3 -24,-0.2 -0.300 39.1-125.8 -60.3 144.4 -0.4 35.6 77.5 37 43 A V - 0 0 12 -26,-3.0 5,-0.1 -27,-0.1 -1,-0.1 -0.763 28.2-107.0 -92.1 133.1 -3.8 37.2 77.8 38 44 A N >> - 0 0 77 -2,-0.4 3,-2.7 1,-0.2 4,-0.8 -0.406 29.4-129.5 -55.6 122.9 -4.0 40.2 80.3 39 45 A P H 3> S+ 0 0 83 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.690 105.0 65.5 -54.3 -17.4 -6.0 38.7 83.4 40 46 A H H 34 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.1 -2,-0.1 0.596 100.7 51.9 -77.0 -15.3 -8.4 41.7 83.3 41 47 A S H <> S+ 0 0 6 -3,-2.7 4,-2.8 2,-0.1 5,-0.3 0.726 89.5 81.5 -88.2 -27.2 -9.6 40.5 79.9 42 48 A T H X S+ 0 0 24 -4,-0.8 4,-2.1 1,-0.2 -2,-0.1 0.876 94.3 40.3 -44.9 -58.1 -10.3 36.9 81.0 43 49 A S H X S+ 0 0 37 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.825 114.0 54.4 -63.9 -38.8 -13.8 37.4 82.6 44 50 A L H 4>S+ 0 0 0 -4,-0.3 5,-2.4 1,-0.2 4,-0.5 0.971 110.0 46.2 -62.7 -53.0 -14.9 39.8 79.9 45 51 A I H ><5S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 236,-0.3 0.917 112.0 52.5 -54.3 -44.4 -14.1 37.3 77.1 46 52 A A H 3<5S+ 0 0 51 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.895 110.2 45.6 -63.6 -37.7 -15.8 34.5 79.0 47 53 A E T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.390 128.4 -95.1 -87.7 5.9 -19.1 36.4 79.5 48 54 A G T < 5 + 0 0 15 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.689 63.8 157.3 97.3 18.0 -19.0 37.5 75.8 49 55 A V < - 0 0 9 -5,-2.4 232,-0.5 -6,-0.1 -1,-0.2 -0.519 49.9-106.0 -68.9 144.6 -17.5 41.0 75.5 50 56 A A E -d 179 0B 4 128,-2.1 130,-2.2 -2,-0.2 2,-0.4 -0.324 27.9-121.8 -75.6 167.7 -16.2 41.3 71.9 51 57 A T E -d 180 0B 4 231,-0.5 130,-0.2 128,-0.3 131,-0.1 -0.837 24.1-112.5-115.4 136.9 -12.7 41.2 70.9 52 58 A K - 0 0 58 128,-2.1 233,-0.2 -2,-0.4 130,-0.2 -0.411 22.7-141.4 -76.9 147.4 -10.7 43.9 69.0 53 59 A G > - 0 0 8 -2,-0.1 3,-1.4 231,-0.1 233,-0.1 -0.381 35.3 -91.8 -94.8 170.4 -9.3 43.6 65.5 54 60 A L T 3 S+ 0 0 78 202,-0.6 203,-0.1 231,-0.4 232,-0.1 0.725 118.7 63.8 -55.0 -28.3 -6.0 44.9 64.0 55 61 A G T 3 S+ 0 0 52 201,-0.2 2,-0.9 45,-0.0 -1,-0.2 0.685 78.9 90.7 -74.7 -19.2 -7.6 48.3 63.0 56 62 A V < + 0 0 4 -3,-1.4 38,-0.1 1,-0.2 37,-0.1 -0.688 43.9 166.8 -81.2 109.4 -8.4 49.4 66.6 57 63 A H + 0 0 107 -2,-0.9 -1,-0.2 36,-0.3 37,-0.1 0.638 34.7 117.9 -96.3 -16.8 -5.3 51.4 67.7 58 64 A A S S- 0 0 2 35,-0.3 2,-0.2 1,-0.1 33,-0.1 -0.154 70.3-107.0 -52.5 144.4 -7.0 53.0 70.8 59 65 A K - 0 0 83 12,-0.1 -1,-0.1 31,-0.1 20,-0.1 -0.512 25.5-128.6 -81.9 138.6 -5.4 52.0 74.1 60 66 A S - 0 0 37 -2,-0.2 18,-2.7 10,-0.2 2,-0.4 -0.347 24.0-116.7 -75.5 161.0 -7.1 49.7 76.6 61 67 A S - 0 0 1 8,-2.9 7,-2.5 5,-0.4 16,-0.2 -0.834 20.8-171.6 -99.1 144.9 -7.5 50.7 80.2 62 68 A D + 0 0 63 -2,-0.4 2,-0.3 5,-0.2 5,-0.1 0.213 65.7 52.6-116.0 15.5 -5.8 48.8 83.1 63 69 A W S > S+ 0 0 3 13,-0.3 3,-0.5 3,-0.1 59,-0.1 -0.891 83.2 17.7-143.6 172.4 -7.6 50.5 85.9 64 70 A G G > S- 0 0 1 58,-0.4 3,-1.8 -2,-0.3 59,-0.1 -0.009 106.7 -44.7 63.9-171.7 -10.9 51.5 87.5 65 71 A L G 3 S+ 0 0 0 1,-0.3 -1,-0.2 57,-0.1 58,-0.1 0.629 137.7 63.4 -66.0 -16.0 -14.3 50.1 86.7 66 72 A Q G X S+ 0 0 0 -3,-0.5 3,-2.0 10,-0.1 -5,-0.4 0.384 72.3 137.0 -91.6 8.0 -13.3 50.5 83.0 67 73 A A T < S+ 0 0 0 -3,-1.8 -5,-0.2 1,-0.2 3,-0.1 -0.263 71.7 20.0 -57.4 134.0 -10.4 47.9 83.4 68 74 A G T 3 S+ 0 0 5 -7,-2.5 113,-0.5 1,-0.4 -1,-0.2 0.059 108.2 97.2 96.1 -24.4 -10.3 45.5 80.4 69 75 A Y S < S- 0 0 1 -3,-2.0 -8,-2.9 111,-0.1 -1,-0.4 -0.406 76.6-119.8 -95.2 168.5 -12.3 47.9 78.1 70 76 A I - 0 0 1 109,-0.7 101,-3.2 101,-0.3 -10,-0.2 -0.907 33.6-144.3-115.7 98.4 -11.1 50.4 75.5 71 77 A P B -E 170 0C 1 0, 0.0 99,-0.3 0, 0.0 -12,-0.1 -0.373 16.0-143.5 -69.9 139.1 -12.2 54.0 76.5 72 78 A V S S+ 0 0 35 97,-2.1 98,-0.1 1,-0.2 22,-0.1 0.909 97.5 65.3 -64.3 -35.4 -13.2 56.7 74.1 73 79 A N S > S- 0 0 38 96,-0.6 3,-2.8 1,-0.2 4,-0.3 -0.736 78.1-156.0 -89.4 104.8 -11.5 59.1 76.5 74 80 A P G > S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 5,-0.4 0.728 88.4 70.7 -53.6 -23.9 -7.8 58.2 76.4 75 81 A N G 3 S+ 0 0 32 1,-0.3 -3,-0.0 12,-0.1 -2,-0.0 0.583 96.5 54.3 -68.9 -7.8 -7.2 59.7 79.8 76 82 A L G < S+ 0 0 2 -3,-2.8 -13,-0.3 -5,-0.1 -1,-0.3 0.522 98.2 81.3-100.7 -8.8 -9.2 56.8 81.1 77 83 A S S X S- 0 0 0 -3,-1.5 3,-1.7 -4,-0.3 -16,-0.3 -0.073 110.6 -80.3 -81.6-172.5 -6.9 54.2 79.4 78 84 A K T 3 S+ 0 0 119 -18,-2.7 3,-0.3 1,-0.3 -17,-0.1 0.689 124.8 78.5 -66.9 -10.4 -3.6 53.0 80.6 79 85 A L T > + 0 0 19 -5,-0.4 3,-2.5 -19,-0.2 -1,-0.3 0.404 61.2 127.9 -77.5 6.4 -2.4 56.3 79.1 80 86 A F T < S+ 0 0 20 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.807 74.7 31.3 -43.6 -57.9 -3.7 58.2 82.3 81 87 A G T 3 S+ 0 0 72 -3,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.330 95.2 131.5 -91.0 32.9 -0.7 60.2 83.4 82 88 A R < - 0 0 134 -3,-2.5 5,-0.0 1,-0.1 -3,-0.0 -0.221 61.0 -92.5 -79.7 162.0 0.9 60.7 79.8 83 89 A A > - 0 0 53 1,-0.1 4,-1.7 3,-0.1 5,-0.2 0.100 42.3-102.6 -55.7 172.8 2.2 63.9 78.1 84 90 A P H > S+ 0 0 115 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.846 119.0 57.2 -74.2 -27.9 -0.1 65.9 75.9 85 91 A E H > S+ 0 0 129 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.937 108.8 49.6 -59.1 -49.7 1.3 64.5 72.5 86 92 A V H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.963 111.5 43.2 -55.2 -61.9 0.4 61.1 73.7 87 93 A I H X S+ 0 0 23 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.794 113.3 58.3 -59.5 -22.5 -3.1 61.7 74.8 88 94 A A H X S+ 0 0 41 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.939 107.7 41.7 -72.6 -46.8 -3.4 63.6 71.5 89 95 A R H >X S+ 0 0 167 -4,-2.5 4,-2.7 -3,-0.3 3,-0.6 0.940 113.0 55.9 -64.3 -45.0 -2.4 60.7 69.2 90 96 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.848 102.4 57.1 -54.6 -36.8 -4.6 58.4 71.3 91 97 A D H 3X S+ 0 0 63 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.3 0.872 109.1 44.8 -60.2 -41.8 -7.5 60.8 70.7 92 98 A N H S+ 0 0 5 -4,-1.9 5,-2.0 1,-0.2 3,-0.4 0.842 110.6 53.6 -62.8 -38.1 -12.0 53.5 64.9 98 104 A L H <5S+ 0 0 51 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.745 106.0 53.2 -69.0 -25.6 -15.3 55.3 65.3 99 105 A A H <5S+ 0 0 76 -4,-1.3 2,-0.4 -3,-0.4 -1,-0.2 0.699 106.7 57.0 -82.0 -19.4 -15.2 56.5 61.7 100 106 A H T <5S- 0 0 135 -4,-0.8 -1,-0.2 -3,-0.4 3,-0.1 -0.493 133.1 -68.2-112.9 59.2 -14.6 52.9 60.6 101 107 A G T 5S+ 0 0 42 -3,-0.4 2,-0.2 -2,-0.4 -3,-0.2 0.188 93.4 124.7 84.9 -18.0 -17.5 50.9 61.9 102 108 A H < - 0 0 42 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.510 48.1-140.4 -84.9 150.4 -16.9 51.1 65.6 103 109 A T E -F 172 0C 40 69,-1.3 69,-3.5 70,-0.4 2,-0.8 -0.711 10.0-131.5-107.9 154.1 -19.4 52.3 68.1 104 110 A A E -F 171 0C 47 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.917 37.3-174.6-105.4 106.3 -19.1 54.5 71.2 105 111 A V E -F 170 0C 34 65,-3.0 65,-3.3 -2,-0.8 2,-0.4 -0.792 29.6-112.1-107.6 145.7 -21.1 52.6 73.8 106 112 A D E -F 169 0C 77 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.604 43.0-113.8 -74.2 127.0 -22.0 53.6 77.4 107 113 A L + 0 0 1 61,-3.3 48,-3.5 -2,-0.4 2,-0.4 -0.423 41.6 170.9 -69.2 124.7 -20.1 51.3 79.8 108 114 A T E -H 154 0D 42 -2,-0.3 2,-0.3 46,-0.3 46,-0.3 -0.993 18.1-149.6-131.9 126.7 -22.3 48.9 81.8 109 115 A L E -H 153 0D 0 44,-3.1 44,-2.3 -2,-0.4 2,-0.1 -0.680 15.7-119.4 -97.9 146.0 -20.8 46.1 83.9 110 116 A S > - 0 0 7 -2,-0.3 4,-2.5 42,-0.2 5,-0.1 -0.403 31.9-110.7 -73.1 160.7 -22.3 42.8 84.7 111 117 A K H > S+ 0 0 79 40,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.904 119.6 51.2 -58.0 -42.0 -22.8 42.0 88.4 112 118 A E H > S+ 0 0 129 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.852 107.2 49.3 -67.1 -40.9 -20.1 39.4 88.1 113 119 A R H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 109.6 55.3 -69.4 -31.0 -17.5 41.7 86.5 114 120 A L H X S+ 0 0 10 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.951 109.3 45.6 -66.5 -38.2 -18.4 44.1 89.3 115 121 A D H X S+ 0 0 101 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.911 111.8 52.4 -66.1 -42.8 -17.5 41.4 91.9 116 122 A Y H X S+ 0 0 55 -4,-2.7 4,-2.0 1,-0.2 6,-0.3 0.936 107.3 52.5 -57.2 -46.2 -14.3 40.5 90.1 117 123 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 6,-1.8 0.891 113.9 42.4 -57.6 -42.1 -13.2 44.1 90.0 118 124 A R H ><5S+ 0 0 119 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.890 113.4 50.7 -73.6 -38.1 -13.7 44.4 93.8 119 125 A Q H 3<5S+ 0 0 179 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.760 111.3 51.1 -71.6 -24.3 -12.2 41.1 94.6 120 126 A A T 3<5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.544 112.9-118.1 -87.7 -9.4 -9.1 42.0 92.5 121 127 A G T < 5S+ 0 0 36 -3,-0.7 3,-0.2 -4,-0.5 -3,-0.2 0.559 83.4 120.2 85.3 4.0 -8.7 45.3 94.2 122 128 A L S S- 0 0 59 -13,-0.2 3,-1.5 1,-0.1 -2,-0.1 -0.339 75.6-119.5 -64.2 147.7 -5.1 54.2 91.4 136 142 A A G > S+ 0 0 60 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.746 108.5 67.7 -60.9 -24.9 -3.7 57.7 90.6 137 143 A G G >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-1.5 0.763 84.8 69.4 -68.8 -22.6 -6.6 58.4 88.2 138 144 A Y G <4 S+ 0 0 28 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.525 92.3 62.2 -75.2 1.6 -9.0 58.6 91.2 139 145 A E G <4 S+ 0 0 149 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.658 113.1 31.7 -96.8 -17.3 -7.2 61.8 92.0 140 146 A Q T <4 S+ 0 0 72 -3,-1.5 20,-2.5 -4,-0.3 2,-0.3 0.598 125.2 41.8-109.2 -19.9 -8.2 63.5 88.8 141 147 A F E < - J 0 159D 3 -4,-2.2 2,-0.4 18,-0.3 18,-0.2 -0.941 60.7-149.4-134.0 154.0 -11.6 61.7 88.4 142 148 A E E - J 0 158D 57 16,-3.0 16,-1.9 -2,-0.3 2,-0.3 -0.928 19.8-171.0-118.4 144.6 -14.7 60.6 90.3 143 149 A F E + J 0 157D 3 -12,-0.5 -12,-1.3 -2,-0.4 2,-0.3 -0.944 10.7 169.6-134.7 157.9 -16.7 57.5 89.4 144 150 A R E -IJ 130 156D 81 12,-2.3 12,-2.7 -2,-0.3 2,-0.3 -0.932 19.7-137.9-156.3 168.0 -20.0 56.0 90.5 145 151 A V E - J 0 155D 11 -16,-1.3 2,-0.4 -2,-0.3 10,-0.2 -0.887 7.0-158.2-131.3 159.4 -22.2 53.2 89.2 146 152 A K E - J 0 154D 109 8,-1.2 8,-2.4 -2,-0.3 -17,-0.1 -0.966 23.3-121.5-142.8 123.8 -26.0 52.9 88.9 147 153 A E E - J 0 153D 114 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.375 26.6-150.7 -63.5 140.0 -27.9 49.7 88.7 148 154 A T > - 0 0 46 4,-2.8 3,-0.9 1,-0.0 -1,-0.0 -0.491 30.7-107.6 -96.7 179.0 -29.9 49.5 85.5 149 155 A S T 3 S+ 0 0 138 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 0.446 118.0 73.7 -84.5 -2.0 -33.2 47.4 85.4 150 156 A D T 3 S- 0 0 118 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.472 118.0-110.9 -85.5 -10.7 -31.1 45.1 83.3 151 157 A G S < S+ 0 0 28 -3,-0.9 -40,-0.2 1,-0.3 2,-0.1 0.452 85.5 110.6 88.4 0.5 -29.3 44.0 86.5 152 158 A R - 0 0 65 -42,-0.1 -4,-2.8 -41,-0.1 2,-0.5 -0.399 68.1-117.6 -99.7 178.7 -26.1 45.7 85.2 153 159 A Y E -HJ 109 147D 38 -44,-2.3 -44,-3.1 -6,-0.2 2,-0.4 -0.977 17.2-142.4-126.4 120.5 -24.2 48.8 86.5 154 160 A A E -HJ 108 146D 27 -8,-2.4 -8,-1.2 -2,-0.5 2,-0.6 -0.614 20.8-132.3 -79.6 132.2 -23.8 51.8 84.3 155 161 A V E + J 0 145D 0 -48,-3.5 13,-2.7 -2,-0.4 2,-0.3 -0.763 29.2 177.8 -92.5 127.0 -20.4 53.4 84.7 156 162 A Q E +KJ 167 144D 34 -12,-2.7 -12,-2.3 -2,-0.6 2,-0.3 -0.935 2.8 171.7-129.6 151.4 -20.3 57.2 85.2 157 163 A Y E -KJ 166 143D 27 9,-3.0 9,-2.3 -2,-0.3 2,-0.3 -0.971 12.6-172.0-151.0 164.5 -17.6 59.7 85.9 158 164 A R E - J 0 142D 65 -16,-1.9 -16,-3.0 -2,-0.3 2,-0.3 -0.958 38.8 -96.7-152.7 156.9 -16.7 63.3 86.1 159 165 A R E > - J 0 141D 115 -2,-0.3 3,-2.7 -18,-0.2 -18,-0.3 -0.638 64.3 -79.5 -77.5 134.9 -13.4 65.3 86.5 160 166 A K T 3 S+ 0 0 138 -20,-2.5 -1,-0.1 -2,-0.3 3,-0.1 -0.066 119.5 2.2 -36.0 122.4 -12.7 66.2 90.1 161 167 A G T 3 S+ 0 0 59 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.693 93.5 126.8 66.3 22.7 -14.9 69.2 90.9 162 168 A G < - 0 0 35 -3,-2.7 2,-1.2 1,-0.1 -1,-0.2 -0.908 65.9-131.4-107.5 97.3 -16.6 69.3 87.3 163 169 A D S S+ 0 0 130 -2,-0.8 2,-0.5 -3,-0.1 -1,-0.1 0.346 72.7 64.9 -44.1 -1.0 -20.1 69.3 88.6 164 170 A D - 0 0 115 -2,-1.2 -5,-0.2 -5,-0.1 2,-0.1 -0.935 64.9-137.6-140.4 133.1 -21.7 66.7 86.5 165 171 A F - 0 0 34 -2,-0.5 2,-0.3 -7,-0.1 -7,-0.2 -0.364 24.9-179.3 -70.9 144.1 -21.4 62.9 86.0 166 172 A E E -K 157 0D 114 -9,-2.3 -9,-3.0 -2,-0.1 2,-0.0 -0.959 35.6 -83.8-142.7 156.5 -21.5 61.4 82.5 167 173 A A E -K 156 0D 24 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.3 -0.290 37.2-122.5 -62.9 137.3 -21.3 57.9 81.1 168 174 A V - 0 0 0 -13,-2.7 -61,-3.3 -61,-0.3 2,-0.4 -0.782 34.0-148.5 -78.9 118.2 -17.9 56.4 80.5 169 175 A K E - F 0 106C 93 -2,-0.8 -97,-2.1 -63,-0.2 -96,-0.6 -0.742 15.3-168.6 -89.7 146.2 -18.1 55.7 76.8 170 176 A V E -EF 71 105C 0 -65,-3.3 -65,-3.0 -2,-0.4 2,-0.2 -0.962 28.6 -98.2-135.1 145.5 -16.1 52.7 75.5 171 177 A I E + F 0 104C 0 -101,-3.2 8,-2.1 -2,-0.3 -101,-0.3 -0.456 51.2 178.5 -68.7 129.9 -15.3 51.5 72.0 172 178 A G E -GF 178 103C 0 -69,-3.5 -69,-1.3 6,-0.3 -1,-0.1 -0.656 29.7 -69.3-126.0-179.7 -17.6 48.8 70.7 173 179 A N > - 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0 0 27 65,-0.1 2,-0.1 1,-0.1 -112,-0.0 -0.120 360.0-123.1 -54.4 144.2 10.1 32.5 44.9 356 81 B S > - 0 0 41 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.319 25.5-105.7 -80.3 171.0 12.3 34.8 47.0 357 82 B E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 124.0 47.8 -63.9 -43.8 15.4 33.6 49.0 358 83 B E H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 111.9 52.2 -68.7 -28.9 13.5 34.0 52.2 359 84 B E H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.905 110.9 45.0 -70.0 -41.9 10.7 32.1 50.7 360 85 B I H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.905 110.7 55.0 -68.2 -39.4 12.8 29.2 49.5 361 86 B R H X S+ 0 0 44 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.900 104.9 52.1 -60.0 -42.1 14.6 29.0 52.9 362 87 B E H X S+ 0 0 3 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.931 113.7 45.4 -60.1 -41.8 11.3 28.7 54.8 363 88 B A H >X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 3,-1.1 0.873 107.7 56.2 -68.4 -42.0 10.4 25.7 52.4 364 89 B F H 3X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.3 3,-0.5 0.907 100.9 61.1 -55.4 -40.6 13.8 24.2 52.8 365 90 B R H 3< S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.755 94.3 60.4 -63.0 -23.4 13.1 24.2 56.5 366 91 B V H << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.6 3,-0.2 0.915 113.1 38.5 -68.6 -41.5 10.1 21.9 56.2 367 92 B F H < S+ 0 0 0 -4,-1.2 2,-2.3 -3,-0.5 -2,-0.2 0.915 103.7 68.9 -74.0 -44.4 12.4 19.2 54.7 368 93 B D < + 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 7,-0.1 -0.418 62.6 163.5 -79.3 68.6 15.4 19.8 56.9 369 94 B K + 0 0 40 -2,-2.3 -1,-0.2 -3,-0.2 2,-0.2 0.750 64.7 53.3 -50.1 -49.0 13.7 18.4 60.1 370 95 B D S S- 0 0 76 -3,-0.2 2,-0.1 4,-0.2 4,-0.1 -0.418 109.5-111.5 -78.2 169.6 16.8 17.9 62.2 371 96 B G S S+ 0 0 35 -2,-0.2 2,-0.3 2,-0.1 -24,-0.1 -0.016 74.5 115.5-112.7 51.7 18.3 21.2 61.9 372 97 B N S S- 0 0 64 2,-0.3 2,-2.7 -24,-0.1 -24,-0.1 -0.768 81.3-101.3-100.5 150.2 21.5 21.1 59.8 373 98 B G S S+ 0 0 24 -2,-0.3 40,-0.6 -26,-0.1 2,-0.3 0.125 95.5 84.9 -62.2 34.7 21.5 22.9 56.5 374 99 B Y E -O 412 0H 99 -2,-2.7 2,-0.6 38,-0.2 -2,-0.3 -0.975 67.5-138.6-138.0 153.4 21.0 19.6 54.6 375 100 B I E -O 411 0H 0 36,-2.3 36,-2.8 -2,-0.3 2,-0.1 -0.932 27.1-164.2-109.7 116.7 18.1 17.3 53.5 376 101 B S > - 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0 0 9 -5,-3.1 2,-0.9 -8,-0.1 -2,-0.2 -0.904 46.8-162.8-134.7 99.3 3.6 8.8 49.1 390 115 B K - 0 0 191 -2,-0.5 2,-0.3 -5,-0.1 -8,-0.1 -0.762 24.8-171.2 -81.6 110.7 4.9 5.8 50.8 391 116 B L - 0 0 16 -2,-0.9 2,-0.1 -10,-0.2 -6,-0.1 -0.789 22.9-114.6-112.4 154.5 8.2 5.2 48.9 392 117 B T > - 0 0 76 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.426 34.2-110.2 -77.4 157.0 10.8 2.4 48.9 393 118 B D H > S+ 0 0 125 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.877 123.5 52.5 -52.6 -35.9 14.3 3.2 50.1 394 119 B E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.863 106.7 49.8 -70.2 -38.3 15.3 2.8 46.5 395 120 B E H > S+ 0 0 38 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.927 112.0 48.5 -68.3 -39.7 12.7 5.3 45.3 396 121 B V H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 3,-0.3 0.942 108.8 52.3 -62.4 -48.0 13.8 7.8 47.9 397 122 B D H X S+ 0 0 63 -4,-2.5 4,-3.1 1,-0.3 5,-0.3 0.927 109.2 52.3 -53.9 -45.8 17.5 7.4 47.0 398 123 B E H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.832 107.4 50.8 -58.0 -40.7 16.4 8.1 43.3 399 124 B M H X S+ 0 0 0 -4,-1.8 4,-1.2 -3,-0.3 -1,-0.2 0.917 113.3 46.1 -66.0 -40.7 14.6 11.3 44.4 400 125 B I H >X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 3,-0.9 0.956 108.9 53.3 -67.4 -43.0 17.8 12.4 46.2 401 126 B R H 3< S+ 0 0 177 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 104.5 59.9 -57.2 -33.9 20.1 11.4 43.3 402 127 B E H 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.885 116.4 28.9 -63.1 -38.4 17.9 13.6 41.1 403 128 B A H << S+ 0 0 5 -4,-1.2 2,-2.3 -3,-0.9 -2,-0.2 0.695 95.8 100.5 -96.8 -15.8 18.5 16.7 43.2 404 129 B D >< + 0 0 25 -4,-2.7 3,-0.7 1,-0.2 -1,-0.1 -0.390 40.1 162.3 -78.5 70.5 22.1 15.7 44.3 405 130 B I T 3 S+ 0 0 112 -2,-2.3 -1,-0.2 1,-0.2 6,-0.1 0.856 73.7 43.2 -51.8 -48.5 24.2 17.8 41.9 406 131 B D T 3 S- 0 0 88 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.557 104.7-126.4 -83.3 -8.3 27.5 17.6 43.8 407 132 B G < + 0 0 57 -3,-0.7 -2,-0.1 1,-0.2 -3,-0.1 0.491 66.1 128.8 81.3 5.3 27.2 13.9 44.7 408 133 B D S S- 0 0 51 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 -0.259 80.1-101.1 -78.6-179.9 27.6 14.0 48.5 409 134 B G S S+ 0 0 63 -3,-0.1 -32,-0.3 2,-0.0 2,-0.3 0.317 92.6 59.8-103.2 39.3 24.7 12.0 49.5 410 135 B Q S S- 0 0 60 -34,-0.1 2,-0.7 -7,-0.1 -2,-0.2 -0.862 80.9-102.3-144.0 169.6 22.3 14.8 50.5 411 136 B V E -O 375 0H 0 -36,-2.8 -36,-2.3 -2,-0.3 2,-0.1 -0.878 35.5-166.5-102.1 112.8 20.5 17.9 49.2 412 137 B N E > -O 374 0H 31 -2,-0.7 4,-2.2 -38,-0.2 5,-0.2 -0.350 39.0 -90.8 -87.2 179.1 22.1 21.2 50.3 413 138 B Y H > S+ 0 0 28 -40,-0.6 4,-2.5 1,-0.2 5,-0.2 0.928 123.4 48.1 -57.9 -49.3 20.5 24.6 50.0 414 139 B E H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 111.7 50.3 -62.7 -37.1 21.7 25.6 46.5 415 140 B E H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.2 52.3 -63.0 -40.9 20.7 22.1 45.1 416 141 B F H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.917 104.6 55.3 -61.5 -43.1 17.3 22.7 46.7 417 142 B V H X S+ 0 0 32 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.941 109.6 46.5 -54.8 -48.9 17.0 26.1 45.0 418 143 B Q H X S+ 0 0 111 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.917 112.2 50.8 -63.7 -38.0 17.5 24.5 41.6 419 144 B M H >< S+ 0 0 24 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.955 109.2 50.5 -63.7 -44.3 15.0 21.8 42.5 420 145 B M H 3< S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.696 107.7 56.3 -65.9 -21.3 12.4 24.3 43.5 421 146 B T H 3< 0 0 96 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.692 360.0 360.0 -87.7 -22.3 12.9 26.3 40.2 422 147 B A << 0 0 98 -4,-1.0 -1,-0.1 -3,-0.8 -4,-0.0 -0.265 360.0 360.0 -57.4 360.0 12.2 23.6 37.6