==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-11 3Q9T . COMPND 2 MOLECULE: CHOLINE DEHYDROGENASE AND RELATED FLAVOPROTEINS; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR D.DOUBAYASHI,T.OOTAKE,Y.MAEDA,M.OKI,Y.TOKUNAGA,A.SAKURAI,Y.N . 1731 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1186 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 255 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 1 0.1 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 . 134 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 239 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.3 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 11 5 2 0 0 5 3 7 1 5 0 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 3 3 9 0 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 PARALLEL BRIDGES PER LADDER . 13 14 6 6 4 5 1 5 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 . 6 3 3 3 0 0 3 3 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 A 0 0 80 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.1 57.5 -28.9 25.7 2 3 A T > - 0 0 73 1,-0.1 3,-1.8 2,-0.0 252,-0.0 -0.655 360.0-100.5 -88.8 136.9 53.9 -30.0 25.0 3 4 A D T 3 S+ 0 0 42 -2,-0.3 253,-0.1 1,-0.3 -1,-0.1 -0.208 107.1 20.7 -53.9 139.5 51.7 -27.8 22.7 4 5 A G T 3 S+ 0 0 14 251,-2.6 -1,-0.3 1,-0.2 1606,-0.2 0.481 87.5 160.9 81.0 2.7 49.3 -25.5 24.6 5 6 A S < - 0 0 15 -3,-1.8 252,-2.6 250,-0.3 2,-0.3 -0.203 30.8-137.3 -57.6 145.2 51.3 -25.7 27.9 6 7 A H E +a 257 0A 39 250,-0.2 2,-0.3 252,-0.1 252,-0.2 -0.825 23.1 174.9-106.6 144.3 50.8 -23.1 30.6 7 8 A F E -a 258 0A 3 250,-2.3 252,-3.0 -2,-0.3 253,-0.4 -0.977 39.8-121.6-140.5 152.2 53.5 -21.4 32.6 8 9 A D E S+ 0 0 5 24,-0.5 252,-2.3 -2,-0.3 253,-1.7 0.929 101.6 18.5 -54.0 -48.7 53.4 -18.6 35.1 9 10 A F E -ab 261 33A 0 23,-2.0 25,-2.9 251,-0.2 2,-0.5 -0.991 65.7-162.3-132.7 133.6 55.8 -16.5 33.0 10 11 A V E -ab 262 34A 0 251,-1.8 253,-3.0 -2,-0.4 2,-0.6 -0.961 6.0-160.9-112.5 122.3 56.7 -16.8 29.3 11 12 A I E -ab 263 35A 0 23,-3.4 25,-2.4 -2,-0.5 2,-0.9 -0.923 8.1-153.4-100.1 123.4 59.9 -15.0 28.1 12 13 A V E S+ab 264 36A 0 251,-2.8 253,-2.6 -2,-0.6 25,-0.1 -0.832 74.6 23.4 -99.9 100.8 59.9 -14.5 24.3 13 14 A G S S- 0 0 7 23,-2.8 2,-1.5 -2,-0.9 24,-0.2 0.534 71.3-137.8 106.8 101.3 63.5 -14.4 23.2 14 15 A G + 0 0 0 22,-0.3 77,-3.5 4,-0.2 78,-0.4 -0.320 62.9 122.5 -84.0 54.8 66.2 -16.0 25.4 15 16 A G S > S- 0 0 10 -2,-1.5 4,-2.6 250,-0.5 5,-0.3 0.088 77.8 -56.9 -96.9-150.6 68.6 -13.1 24.9 16 17 A T H > S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 526,-0.1 0.953 136.0 22.9 -60.8 -62.0 70.5 -10.7 27.2 17 18 A A H > S+ 0 0 2 2,-0.2 4,-2.8 3,-0.1 5,-0.3 0.838 120.0 65.1 -71.7 -34.0 67.6 -9.1 29.1 18 19 A G H > S+ 0 0 0 247,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.970 106.0 39.2 -54.3 -62.0 65.4 -12.2 28.3 19 20 A N H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.841 112.6 58.4 -59.0 -33.7 67.5 -14.6 30.4 20 21 A T H X S+ 0 0 0 -4,-1.0 4,-1.8 -5,-0.3 -1,-0.2 0.953 110.7 41.6 -59.5 -50.2 68.0 -12.0 33.1 21 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.949 116.4 49.9 -62.6 -47.5 64.3 -11.7 33.6 22 23 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.881 110.8 47.7 -59.0 -43.9 63.7 -15.4 33.4 23 24 A G H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 4,-0.2 0.856 113.3 47.9 -70.0 -34.9 66.5 -16.4 35.8 24 25 A R H >< S+ 0 0 23 -4,-1.8 3,-1.5 -5,-0.3 4,-0.3 0.914 110.5 49.9 -72.7 -42.9 65.3 -13.9 38.4 25 26 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.861 106.9 58.3 -63.6 -31.9 61.7 -14.9 38.2 26 27 A A T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.518 75.6 95.0 -73.9 -7.5 62.8 -18.5 38.6 27 28 A E T < S+ 0 0 89 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 0.771 73.9 70.1 -62.2 -23.9 64.5 -17.7 42.0 28 29 A N S X S- 0 0 38 -3,-1.0 3,-2.6 -4,-0.3 -1,-0.1 -0.873 86.2-150.9 -84.8 106.9 61.3 -18.9 43.6 29 30 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.677 90.6 60.5 -59.6 -16.0 61.7 -22.6 42.7 30 31 A N T 3 S+ 0 0 87 546,-0.1 2,-0.4 1502,-0.1 1505,-0.2 0.599 81.6 94.7 -85.2 -14.4 57.9 -22.9 42.6 31 32 A V S < S- 0 0 0 -3,-2.6 2,-0.5 -6,-0.2 1502,-0.1 -0.671 72.2-137.0 -82.7 127.9 57.4 -20.4 39.8 32 33 A T - 0 0 11 -2,-0.4 -23,-2.0 1497,-0.1 -24,-0.5 -0.761 23.8-175.0 -87.7 129.6 57.2 -21.9 36.3 33 34 A V E -bc 9 221A 0 187,-2.9 189,-3.7 -2,-0.5 2,-0.4 -0.980 9.8-163.1-127.8 131.1 59.0 -20.1 33.6 34 35 A L E -bc 10 222A 0 -25,-2.9 -23,-3.4 -2,-0.4 2,-0.5 -0.937 2.2-165.1-109.5 135.9 59.2 -20.8 29.9 35 36 A I E -bc 11 223A 0 187,-2.9 189,-2.8 -2,-0.4 2,-0.4 -0.973 1.7-166.0-116.6 118.4 61.8 -19.4 27.5 36 37 A V E +bc 12 224A 4 -25,-2.4 -23,-2.8 -2,-0.5 2,-0.3 -0.838 15.9 172.0 -97.8 141.6 61.2 -19.5 23.7 37 38 A E - 0 0 13 187,-1.8 190,-2.1 -2,-0.4 53,-0.1 -0.986 35.3-144.6-155.1 132.2 64.3 -18.8 21.6 38 39 A A S S+ 0 0 17 -2,-0.3 -1,-0.1 188,-0.3 190,-0.1 0.827 82.6 61.4 -68.4 -35.8 65.0 -19.1 17.8 39 40 A G S S- 0 0 5 1,-0.2 187,-2.6 187,-0.1 50,-0.3 -0.032 100.0 -59.5 -85.3-172.3 68.7 -20.2 18.3 40 41 A I - 0 0 12 48,-0.5 50,-2.4 185,-0.2 -1,-0.2 -0.182 34.7-140.4 -67.0 162.4 70.4 -23.2 19.9 41 42 A G S S+ 0 0 30 1,-0.2 3,-0.2 48,-0.2 -1,-0.1 0.544 88.3 60.7-103.0 -10.9 69.9 -24.1 23.5 42 43 A N > + 0 0 74 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 -0.447 49.7 148.7-119.9 56.6 73.5 -25.1 24.4 43 44 A P G > S+ 0 0 2 0, 0.0 3,-2.6 0, 0.0 7,-0.3 0.847 70.2 67.2 -57.3 -36.3 75.8 -22.1 23.7 44 45 A E G 3 S+ 0 0 79 1,-0.3 -2,-0.1 -3,-0.2 6,-0.1 0.699 95.4 59.4 -60.7 -16.6 78.2 -23.2 26.5 45 46 A D G < S+ 0 0 115 -3,-1.7 -1,-0.3 1,-0.1 -3,-0.0 0.436 87.8 87.9 -86.9 -1.7 79.0 -26.2 24.3 46 47 A I X> - 0 0 23 -3,-2.6 4,-2.3 1,-0.2 3,-1.4 -0.872 62.4-158.5-106.5 108.6 80.2 -24.1 21.4 47 48 A P H 3> S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 7,-0.2 0.889 93.3 56.2 -48.8 -49.1 84.0 -23.1 21.6 48 49 A E H 34 S+ 0 0 78 1,-0.2 10,-0.1 2,-0.2 6,-0.1 0.759 112.6 44.1 -58.6 -26.0 83.5 -20.1 19.3 49 50 A I H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -6,-0.2 -5,-0.1 0.911 118.2 40.5 -80.8 -44.5 80.9 -18.8 21.7 50 51 A T H < S+ 0 0 11 -4,-2.3 158,-2.3 -7,-0.3 -2,-0.2 0.725 100.2 81.3 -80.2 -20.4 82.8 -19.5 25.0 51 52 A T >< - 0 0 11 -4,-2.7 3,-2.0 -5,-0.3 4,-0.3 -0.766 68.4-153.9 -91.9 109.6 86.2 -18.4 23.7 52 53 A P G > S+ 0 0 2 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.777 90.0 58.4 -58.8 -30.0 86.6 -14.6 23.9 53 54 A S G 3 S+ 0 0 26 295,-1.6 3,-0.2 1,-0.2 4,-0.2 0.627 99.9 59.6 -76.7 -10.3 89.2 -14.3 21.1 54 55 A S G X> S+ 0 0 27 -3,-2.0 3,-0.9 294,-0.2 4,-0.5 0.498 73.9 104.4 -89.0 -7.3 86.8 -16.0 18.6 55 56 A A G X4 S+ 0 0 3 -3,-1.2 3,-2.5 -4,-0.3 4,-0.3 0.870 78.0 48.9 -44.3 -57.8 84.0 -13.3 19.0 56 57 A M G >4 S+ 0 0 26 1,-0.3 3,-1.7 -4,-0.2 -1,-0.3 0.840 102.6 63.6 -55.3 -34.1 84.6 -11.5 15.7 57 58 A D G <4 S+ 0 0 112 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.637 86.2 75.2 -65.2 -14.4 84.6 -14.8 13.9 58 59 A L G X< + 0 0 2 -3,-2.5 3,-1.6 -4,-0.5 -1,-0.3 0.623 69.4 106.4 -74.6 -13.7 80.9 -15.2 15.0 59 60 A R T < S+ 0 0 40 -3,-1.7 3,-0.1 -4,-0.3 5,-0.0 -0.473 94.0 7.1 -62.7 136.1 79.8 -12.6 12.4 60 61 A N T 3 S+ 0 0 99 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.450 105.0 125.2 65.9 1.9 78.1 -14.4 9.5 61 62 A S S X S- 0 0 35 -3,-1.6 3,-1.6 1,-0.1 -1,-0.2 -0.172 84.7 -90.9 -80.1-178.4 78.2 -17.7 11.5 62 63 A K T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.707 126.0 62.8 -66.2 -16.4 75.2 -19.8 12.2 63 64 A Y T 3 S+ 0 0 17 -5,-0.2 25,-2.7 -24,-0.1 2,-0.5 0.247 89.5 86.6 -92.5 14.3 74.8 -17.8 15.5 64 65 A D B < -I 87 0B 11 -3,-1.6 23,-0.2 23,-0.2 21,-0.1 -0.953 63.2-154.8-122.7 118.8 74.2 -14.5 13.6 65 66 A W - 0 0 58 21,-2.0 -1,-0.1 -2,-0.5 20,-0.1 0.843 31.3-159.4 -50.1 -36.5 70.9 -13.2 12.4 66 67 A A - 0 0 11 20,-0.4 19,-0.2 1,-0.2 -1,-0.1 0.898 14.4-166.0 55.3 49.0 73.1 -11.4 9.9 67 68 A Y E -J 84 0C 6 17,-1.1 17,-3.0 16,-0.1 2,-0.4 -0.316 21.2-124.6 -62.6 143.1 70.4 -8.7 9.1 68 69 A K E + 0 0 119 15,-0.2 2,-0.3 14,-0.2 378,-0.2 -0.726 41.2 173.4 -72.4 135.1 70.6 -6.4 6.1 69 70 A T E -J 81 0C 2 12,-2.6 12,-2.7 -2,-0.4 2,-0.5 -0.975 36.7-118.9-149.4 144.0 70.3 -2.8 7.4 70 71 A T E -Jk 80 447C 9 376,-3.0 378,-3.1 -2,-0.3 379,-0.4 -0.665 24.3-173.1 -76.3 120.4 70.6 0.7 6.0 71 72 A M E S+ 0 0 0 8,-2.2 379,-2.3 -2,-0.5 2,-0.4 0.893 70.5 10.3 -83.3 -46.3 73.5 2.5 7.8 72 73 A V E -J 79 0C 0 7,-1.1 7,-1.8 377,-0.2 -1,-0.3 -0.999 53.3-179.3-138.9 141.8 72.9 5.9 6.3 73 74 A R E +J 78 0C 108 -2,-0.4 2,-0.3 377,-0.3 5,-0.2 -0.724 28.7 143.6-138.8 81.1 70.1 7.4 4.3 74 75 A R E > -J 77 0C 35 3,-3.3 3,-0.5 -2,-0.2 378,-0.1 -0.723 61.9-109.6-109.0 165.6 70.9 11.0 3.5 75 76 A D T 3 S+ 0 0 182 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.857 120.9 42.7 -62.8 -36.1 70.1 12.8 0.2 76 77 A D T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.522 126.5 18.2 -87.4 -4.7 73.8 12.9 -0.7 77 78 A Y E < +J 74 0C 22 -3,-0.5 -3,-3.3 2,-0.0 2,-0.3 -0.963 53.2 177.1-167.8 140.2 74.6 9.3 0.4 78 79 A E E +J 73 0C 111 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.934 6.1 175.9-152.0 130.0 73.0 5.9 1.2 79 80 A R E -J 72 0C 24 -7,-1.8 -8,-2.2 -2,-0.3 -7,-1.1 -0.996 9.9-165.3-134.8 138.9 74.5 2.6 2.2 80 81 A I E -J 70 0C 103 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.929 17.8-165.7-119.7 143.4 72.9 -0.7 3.2 81 82 A E E -J 69 0C 18 -12,-2.7 -12,-2.6 -2,-0.4 3,-0.3 -0.929 10.3-129.8-131.8 157.7 75.0 -3.5 4.8 82 83 A K E S+ 0 0 112 -2,-0.3 -14,-0.2 1,-0.3 -15,-0.1 -0.920 80.8 35.6-151.1 133.1 75.0 -7.1 5.7 83 84 A P E + 0 0 7 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 0.338 53.6 176.9 -95.3 140.0 75.6 -8.5 8.2 84 85 A N E -J 67 0C 0 -17,-3.0 -17,-1.1 -3,-0.3 -18,-0.1 -0.851 43.3-132.1 -92.1 94.1 74.3 -6.2 10.9 85 86 A T + 0 0 6 -2,-1.1 2,-0.3 -19,-0.2 -26,-0.1 -0.171 39.6 161.1 -64.5 135.3 75.2 -8.8 13.5 86 87 A R - 0 0 41 6,-0.0 -21,-2.0 11,-0.0 -20,-0.4 -0.973 44.3 -96.7-146.0 147.0 72.8 -9.9 16.3 87 88 A G B -I 64 0B 7 -2,-0.3 2,-0.5 -23,-0.2 6,-0.3 -0.463 29.4-173.9 -73.3 129.9 73.0 -13.0 18.4 88 89 A K + 0 0 18 -25,-2.7 -48,-0.5 -2,-0.2 2,-0.2 -0.875 58.1 67.9-122.5 93.2 70.8 -16.0 17.4 89 90 A T S > S- 0 0 0 -2,-0.5 3,-3.4 -50,-0.3 6,-0.2 -0.834 101.6 -59.0 164.0 150.9 71.3 -18.4 20.3 90 91 A L T 3 S+ 0 0 8 -50,-2.4 -75,-0.2 1,-0.3 122,-0.2 -0.348 130.8 35.5 -51.3 136.0 70.4 -18.7 23.9 91 92 A G T > S- 0 0 0 -77,-3.5 3,-1.8 120,-0.1 120,-0.4 0.189 98.6-150.2 95.3 -16.1 72.0 -15.6 25.4 92 93 A G G X - 0 0 6 -3,-3.4 3,-1.8 -78,-0.4 -4,-0.2 -0.158 69.0 -7.8 53.5-135.6 71.3 -13.7 22.2 93 94 A S G >> S+ 0 0 28 -6,-0.3 3,-1.2 1,-0.3 4,-1.0 0.680 126.6 71.3 -71.7 -16.3 73.8 -10.9 21.5 94 95 A S G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.628 94.0 60.5 -69.0 -12.4 75.5 -11.4 24.9 95 96 A S G <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.537 117.8 24.6 -89.1 -10.0 76.7 -14.7 23.3 96 97 A L T <4 S+ 0 0 9 -3,-1.2 -2,-0.2 -4,-0.2 -38,-0.1 0.345 96.3 112.7-133.4 10.5 78.6 -12.9 20.4 97 98 A N S < S- 0 0 32 -4,-1.0 -42,-0.1 1,-0.1 -3,-0.1 -0.059 76.0-104.3 -81.4 179.0 79.4 -9.4 21.7 98 99 A Y - 0 0 29 2,-0.1 2,-1.5 -43,-0.1 255,-0.1 -0.027 46.6-123.5-105.5 29.9 82.8 -7.9 22.5 99 100 A F + 0 0 3 1,-0.1 103,-2.2 103,-0.1 104,-0.1 0.004 54.4 147.9 79.0 -29.5 82.6 -8.1 26.3 100 101 A T E -N 201 0D 6 -2,-1.5 2,-0.5 101,-0.2 455,-0.3 -0.117 30.2-159.3 -52.3 137.1 83.0 -4.5 27.4 101 102 A W E +N 200 0D 2 99,-2.1 99,-0.6 454,-0.1 453,-0.1 -0.938 31.4 138.3-127.3 106.1 81.1 -3.7 30.6 102 103 A V - 0 0 3 -2,-0.5 454,-0.4 451,-0.4 455,-0.4 -0.981 36.6-155.5-155.7 127.6 80.5 -0.1 31.2 103 104 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 454,-0.2 0.929 37.1-126.8 -79.4 -47.2 77.3 1.7 32.4 104 105 A G - 0 0 0 84,-0.5 87,-0.3 446,-0.1 2,-0.3 -0.696 39.5 -33.4 120.5-176.9 77.4 5.3 31.1 105 106 A H >> - 0 0 17 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.594 41.0-136.2 -93.6 135.7 77.2 8.8 32.4 106 107 A K H 3> S+ 0 0 70 85,-1.2 4,-2.5 -2,-0.3 16,-0.4 0.866 103.5 57.9 -52.8 -42.6 74.9 9.8 35.3 107 108 A A H 3> S+ 0 0 16 84,-0.5 4,-0.8 1,-0.2 -1,-0.3 0.841 106.3 50.8 -61.1 -31.0 73.7 13.0 33.5 108 109 A T H X4 S+ 0 0 0 -3,-0.9 3,-0.6 2,-0.2 4,-0.4 0.931 111.0 44.9 -75.0 -44.7 72.4 10.8 30.7 109 110 A F H >< S+ 0 0 2 -4,-1.6 3,-1.7 1,-0.2 4,-0.3 0.866 105.9 62.6 -68.2 -34.0 70.5 8.3 32.8 110 111 A D H >< S+ 0 0 46 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.833 96.6 59.9 -57.5 -31.5 69.1 11.2 34.9 111 112 A Q T X< S+ 0 0 76 -4,-0.8 3,-1.2 -3,-0.6 -1,-0.3 0.617 82.7 79.6 -76.6 -10.5 67.4 12.4 31.6 112 113 A W T X> S+ 0 0 2 -3,-1.7 4,-3.1 -4,-0.4 3,-2.6 0.755 72.9 84.0 -61.5 -19.5 65.5 9.1 31.4 113 114 A E H <> S+ 0 0 75 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.853 78.2 63.5 -51.6 -37.7 63.3 10.8 34.0 114 115 A E H <4 S+ 0 0 115 -3,-1.2 -1,-0.3 1,-0.2 405,-0.3 0.725 117.6 27.6 -59.8 -22.5 61.4 12.5 31.2 115 116 A F H <4 S+ 0 0 17 -3,-2.6 -2,-0.2 -4,-0.2 -1,-0.2 0.776 137.3 21.7-106.9 -39.8 60.3 9.0 30.0 116 117 A G H < S- 0 0 2 -4,-3.1 3,-0.4 1,-0.3 -3,-0.2 0.422 95.5-128.0-115.9 0.8 60.3 6.9 33.1 117 118 A G >< - 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0 0 7 -201,-2.2 -1,-0.1 -2,-0.1 -86,-0.0 0.288 50.6-106.7 -87.1 10.2 79.1 0.3 16.8 509 512 A F S S+ 0 0 30 -202,-0.2 45,-0.1 44,-0.1 -2,-0.1 0.711 89.0 114.7 75.9 27.5 76.6 -2.5 17.6 510 513 A H + 0 0 12 -203,-0.3 -205,-0.1 43,-0.1 42,-0.1 -0.217 35.0 165.5-121.5 45.6 74.4 -0.6 20.2 511 514 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -243,-0.2 -0.316 12.9 151.8 -64.2 147.8 70.9 -0.2 18.7 512 515 A T B +Z 305 0H 2 -207,-1.6 -207,-2.4 32,-0.1 32,-0.3 -0.905 27.8 61.0-153.5 171.3 68.1 0.8 21.0 513 516 A G > + 0 0 3 30,-1.8 3,-1.0 -2,-0.3 31,-0.2 0.227 50.2 125.0 99.3 -9.2 64.8 2.6 21.4 514 517 A T T 3 S+ 0 0 0 1,-0.3 -213,-3.1 -213,-0.1 -212,-0.3 0.432 91.7 20.9 -77.1 -0.7 62.2 0.8 19.3 515 518 A A T 3 S- 0 0 0 29,-3.0 -1,-0.3 -215,-0.2 -215,-0.1 -0.253 96.5-168.1-152.5 60.4 59.7 0.2 22.1 516 519 A R < - 0 0 42 -3,-1.0 10,-1.8 -217,-0.3 9,-1.3 -0.064 26.1-104.4 -74.1 148.0 60.8 2.9 24.5 517 520 A L B +a 526 0I 0 28,-3.1 2,-0.3 8,-0.2 10,-0.2 -0.327 56.0 154.6 -59.1 144.8 59.8 3.4 28.1 518 521 A S - 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