==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-APR-06 2GQ9 . COMPND 2 MOLECULE: OXIDOREDUCTASE, FMN-BINDING; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR S.N.SAVVIDES,D.VAN DEN HEMEL . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 17 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 0 2 1 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 3 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 . 3 0 0 0 0 0 0 0 1 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 0 121 0, 0.0 302,-0.1 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 -23.7 11.6 -26.1 -10.7 2 2 A T > + 0 0 15 300,-0.2 4,-1.2 301,-0.1 301,-0.0 0.489 360.0 135.8 66.2 10.1 12.6 -22.7 -9.1 3 3 A Q T >4 S+ 0 0 154 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.938 77.4 41.6 -57.0 -50.9 16.4 -22.8 -9.6 4 4 A S G >4 S+ 0 0 28 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.872 106.7 63.7 -64.9 -36.1 16.8 -19.2 -10.7 5 5 A L G 34 S+ 0 0 0 1,-0.3 14,-2.5 297,-0.1 15,-0.3 0.812 104.6 48.3 -58.4 -28.8 14.3 -18.0 -8.1 6 6 A F G << S+ 0 0 48 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.105 86.8 107.4-102.6 24.4 16.8 -19.2 -5.4 7 7 A Q S < S- 0 0 96 -3,-2.1 9,-0.0 1,-0.1 -3,-0.0 -0.776 73.3-116.3 -96.1 141.2 19.8 -17.6 -6.9 8 8 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.207 30.5-159.8 -71.0 172.7 21.2 -14.5 -5.0 9 9 A I E -A 16 0A 23 7,-1.4 7,-3.2 9,-0.2 2,-0.4 -0.983 17.5-120.6-155.9 142.5 21.2 -11.1 -6.6 10 10 A T E -A 15 0A 88 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.699 21.9-174.7 -86.0 134.2 23.0 -7.8 -6.0 11 11 A L E > -A 14 0A 1 3,-2.9 3,-2.0 -2,-0.4 2,-0.4 -0.819 61.9 -65.9-128.7 88.6 20.9 -4.8 -5.3 12 12 A G T 3 S- 0 0 22 -2,-0.4 215,-0.1 1,-0.3 -1,-0.0 -0.532 121.1 -9.2 69.8-120.3 23.1 -1.8 -5.2 13 13 A A T 3 S+ 0 0 90 -2,-0.4 2,-0.3 213,-0.3 -1,-0.3 0.473 124.5 88.8 -88.5 -2.1 25.4 -2.2 -2.2 14 14 A L E < -A 11 0A 40 -3,-2.0 -3,-2.9 160,-0.1 2,-0.6 -0.678 61.9-153.8-100.0 148.3 23.4 -5.2 -1.0 15 15 A T E -A 10 0A 119 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.984 23.3-153.3-119.2 116.9 23.8 -8.8 -1.8 16 16 A L E -A 9 0A 9 -7,-3.2 -7,-1.4 -2,-0.6 36,-0.1 -0.635 16.6-129.9 -93.9 150.0 20.4 -10.5 -1.4 17 17 A K S S- 0 0 72 35,-0.3 2,-0.3 -2,-0.2 35,-0.1 0.797 80.5 -12.7 -68.4 -32.6 19.8 -14.2 -0.6 18 18 A N S S- 0 0 11 2,-0.2 -12,-0.2 -9,-0.1 -9,-0.2 -0.894 70.5 -95.1-156.3-176.6 17.3 -14.9 -3.4 19 19 A R S S+ 0 0 42 -14,-2.5 298,-2.5 -2,-0.3 2,-0.4 0.277 81.7 112.7 -94.3 9.2 15.0 -13.4 -6.0 20 20 A I E -b 317 0B 0 -15,-0.3 32,-2.1 296,-0.2 33,-1.7 -0.706 46.8-166.3 -89.4 131.2 11.9 -13.4 -3.8 21 21 A V E -bc 318 53B 0 296,-2.5 298,-2.0 -2,-0.4 33,-0.2 -0.919 21.0-143.4-117.9 139.9 10.4 -10.1 -2.7 22 22 A M E - c 0 54B 2 31,-2.7 33,-2.7 -2,-0.4 298,-0.1 -0.915 36.5-141.9 -96.4 106.3 7.8 -9.5 0.0 23 23 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 34,-0.1 -0.221 30.3 -75.7 -67.8 161.1 5.9 -6.7 -1.7 24 24 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.375 55.4-179.7 -59.9 126.6 4.5 -3.7 0.2 25 25 A M - 0 0 25 30,-0.3 32,-0.3 -2,-0.1 2,-0.2 -0.873 23.1-140.4-140.6 107.7 1.4 -4.6 2.0 26 26 A T + 0 0 32 -2,-0.4 45,-0.1 1,-0.2 33,-0.1 -0.416 27.5 166.0 -60.4 125.4 -0.7 -2.3 4.2 27 27 A R - 0 0 2 -2,-0.2 322,-1.7 43,-0.1 -1,-0.2 0.409 37.1-138.7-119.9 -8.8 -1.9 -4.1 7.3 28 28 A S + 0 0 7 320,-0.2 321,-0.2 1,-0.1 43,-0.2 0.905 58.1 133.0 47.2 57.4 -3.0 -1.0 9.3 29 29 A R + 0 0 10 320,-0.1 42,-0.2 319,-0.1 12,-0.1 0.246 25.1 140.6-115.6 8.1 -1.6 -2.2 12.6 30 30 A A - 0 0 6 40,-2.3 7,-0.2 1,-0.1 5,-0.2 -0.244 58.4-103.1 -58.4 138.4 0.1 1.1 13.6 31 31 A S B >> -K 36 0C 51 5,-2.7 5,-1.6 3,-0.1 4,-0.7 -0.313 46.3 -98.0 -64.7 143.1 -0.1 2.1 17.2 32 32 A Q T 45S+ 0 0 87 2,-0.2 2,-0.1 3,-0.2 -1,-0.0 -0.896 93.2 31.0-115.1 141.9 -2.5 4.8 18.2 33 33 A P T 45S+ 0 0 121 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.656 128.2 23.1 -87.1 170.5 -2.2 7.6 18.7 34 34 A G T 45S- 0 0 41 1,-0.1 39,-0.3 -2,-0.1 -2,-0.2 0.342 100.0-107.1 102.5 -8.7 0.6 8.7 16.4 35 35 A D T <5 + 0 0 14 -4,-0.7 38,-2.3 1,-0.2 2,-0.5 0.943 57.8 177.8 47.6 61.0 0.5 6.0 13.8 36 36 A V B < -K 31 0C 28 -5,-1.6 -5,-2.7 36,-0.2 -1,-0.2 -0.817 34.9-120.5-103.8 131.1 3.7 4.3 15.0 37 37 A A - 0 0 3 -2,-0.5 2,-0.2 36,-0.3 48,-0.1 -0.416 48.3-169.6 -60.6 139.0 5.3 1.2 13.7 38 38 A N > - 0 0 25 45,-0.1 4,-1.9 47,-0.1 5,-0.1 -0.535 34.4 -81.1-127.1-170.5 5.3 -1.2 16.6 39 39 A H H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 120.4 52.9 -62.4 -43.7 6.5 -4.5 18.1 40 40 A M H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 110.0 50.5 -65.0 -30.8 4.0 -6.8 16.4 41 41 A M H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.887 108.2 52.4 -71.0 -38.0 4.9 -5.3 13.1 42 42 A A H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.926 112.1 45.3 -63.1 -42.8 8.6 -6.0 13.9 43 43 A I H X S+ 0 0 63 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 55.0 -63.3 -44.7 7.8 -9.6 14.6 44 44 A Y H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.926 113.2 39.4 -54.0 -51.7 5.6 -9.8 11.5 45 45 A Y H >< S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.901 113.4 54.3 -70.0 -39.7 8.4 -8.7 9.2 46 46 A A H >< S+ 0 0 11 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.860 101.9 59.8 -62.5 -34.1 11.1 -10.7 11.0 47 47 A Q H 3< S+ 0 0 65 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.751 109.6 43.9 -62.3 -24.1 9.0 -13.8 10.5 48 48 A R T X< S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.6 -1,-0.3 0.139 77.2 116.3-109.2 20.2 9.2 -13.2 6.8 49 49 A A T < + 0 0 8 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.389 53.1 82.6 -74.2 4.6 12.9 -12.4 6.6 50 50 A S T 3 S+ 0 0 59 277,-0.4 -1,-0.3 -3,-0.2 -30,-0.2 0.523 71.1 104.0 -83.2 -4.4 13.8 -15.4 4.5 51 51 A A S < S- 0 0 2 -3,-1.5 -34,-0.2 1,-0.1 45,-0.2 -0.373 82.3-127.4 -66.9 156.6 12.6 -13.2 1.5 52 52 A G S S+ 0 0 2 -32,-2.1 44,-0.8 1,-0.3 2,-0.3 0.878 93.0 9.5 -73.5 -37.0 15.5 -11.8 -0.5 53 53 A L E -cd 21 96B 0 -33,-1.7 -31,-2.7 42,-0.1 2,-0.5 -0.998 65.8-155.7-144.8 137.3 14.0 -8.3 -0.1 54 54 A I E -cd 22 97B 0 42,-2.1 44,-2.5 -2,-0.3 2,-0.5 -0.952 5.0-163.4-113.2 132.0 11.2 -6.9 2.0 55 55 A V E - d 0 98B 0 -33,-2.7 -30,-0.3 -2,-0.5 44,-0.2 -0.974 26.6-125.0-111.7 124.1 9.4 -3.8 1.0 56 56 A S E - 0 0 0 42,-3.3 3,-0.1 -2,-0.5 44,-0.1 -0.232 30.6 -89.7 -67.1 159.5 7.5 -2.3 3.9 57 57 A E E - 0 0 1 -32,-0.3 43,-0.5 -33,-0.2 -1,-0.1 -0.222 68.0 -71.6 -57.2 156.5 3.8 -1.5 3.7 58 58 A G E - d 0 100B 0 41,-0.1 2,-0.4 43,-0.1 43,-0.2 -0.251 53.4-163.2 -54.6 137.6 3.1 2.0 2.5 59 59 A T E - d 0 101B 0 41,-2.6 43,-2.5 -3,-0.1 14,-0.2 -0.980 20.4-119.1-130.0 118.6 4.1 4.6 5.1 60 60 A Q E -ed 73 102B 0 12,-0.8 14,-1.9 -2,-0.4 43,-0.2 -0.270 9.2-149.6 -60.5 137.6 2.8 8.2 4.8 61 61 A I S S+ 0 0 4 41,-2.0 -1,-0.1 12,-0.2 42,-0.1 0.547 77.5 3.6 -84.4 -8.2 5.4 11.0 4.4 62 62 A S S > S- 0 0 7 40,-0.3 3,-1.2 1,-0.1 4,-0.4 -0.964 84.9 -89.4-163.1 173.0 3.2 13.5 6.1 63 63 A P G > S+ 0 0 52 0, 0.0 3,-0.6 0, 0.0 51,-0.1 0.866 126.1 45.4 -62.4 -33.8 -0.1 14.0 7.9 64 64 A T G 3 S+ 0 0 47 1,-0.2 55,-0.3 49,-0.1 41,-0.1 0.399 99.3 69.7 -91.6 4.9 -1.9 14.8 4.7 65 65 A A G < S+ 0 0 0 -3,-1.2 39,-2.1 38,-0.1 2,-0.2 0.482 77.4 103.5 -96.2 -6.3 -0.3 11.9 2.7 66 66 A K < + 0 0 20 -3,-0.6 43,-0.2 -4,-0.4 46,-0.1 -0.534 38.6 171.7 -79.8 140.0 -2.3 9.3 4.7 67 67 A G + 0 0 0 1,-0.2 2,-0.3 -2,-0.2 65,-0.2 0.579 60.1 44.1-123.2 -15.4 -5.3 7.6 3.1 68 68 A Y S > S- 0 0 39 63,-0.1 3,-1.1 44,-0.1 -1,-0.2 -0.973 86.0 -96.1-136.0 148.2 -6.3 4.8 5.5 69 69 A A T 3 S+ 0 0 1 63,-0.8 280,-0.1 -2,-0.3 66,-0.1 -0.272 100.9 9.6 -62.4 142.3 -6.7 4.5 9.3 70 70 A W T 3 S+ 0 0 44 64,-0.3 -40,-2.3 1,-0.2 -1,-0.2 0.622 82.1 144.0 65.9 20.0 -3.8 3.0 11.3 71 71 A T < - 0 0 0 -3,-1.1 -1,-0.2 -43,-0.2 2,-0.2 -0.671 55.1-105.4 -86.4 145.4 -1.1 3.0 8.6 72 72 A P - 0 0 0 0, 0.0 -12,-0.8 0, 0.0 -36,-0.2 -0.475 30.5-147.0 -74.3 138.7 2.4 3.8 9.9 73 73 A G B -e 60 0B 0 -38,-2.3 -36,-0.3 -39,-0.3 -12,-0.2 -0.483 10.1-157.3 -97.1 171.7 4.0 7.2 9.2 74 74 A I S S+ 0 0 0 -14,-1.9 93,-0.1 -2,-0.2 -13,-0.1 -0.055 73.7 78.0-140.0 35.2 7.6 8.0 8.7 75 75 A Y S S+ 0 0 70 -15,-0.1 -14,-0.1 92,-0.1 3,-0.0 0.608 75.3 72.4-119.5 -17.8 7.8 11.7 9.6 76 76 A T S > S- 0 0 41 -42,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.628 83.0-117.2 -98.4 159.7 7.8 12.0 13.4 77 77 A P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.910 117.4 50.8 -60.3 -38.0 10.7 11.0 15.7 78 78 A E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 108.7 50.5 -65.7 -41.1 8.5 8.3 17.3 79 79 A Q H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -42,-0.3 0.866 110.2 50.6 -65.4 -35.0 7.6 6.9 13.9 80 80 A I H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.947 112.2 46.3 -66.8 -47.1 11.2 6.7 12.9 81 81 A A H X S+ 0 0 57 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.900 110.4 54.1 -60.8 -42.5 12.1 4.9 16.2 82 82 A G H X S+ 0 0 9 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.915 110.1 46.3 -58.3 -43.8 9.2 2.6 15.7 83 83 A W H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.841 105.3 61.4 -67.4 -33.3 10.5 1.7 12.2 84 84 A R H X S+ 0 0 89 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.889 99.6 54.9 -59.5 -40.4 14.0 1.3 13.6 85 85 A I H X S+ 0 0 91 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.920 111.0 47.2 -58.3 -43.7 12.6 -1.5 15.9 86 86 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.953 112.1 46.3 -64.1 -51.8 11.4 -3.2 12.7 87 87 A T H X S+ 0 0 0 -4,-2.8 4,-2.9 84,-0.3 -2,-0.2 0.874 112.6 50.7 -63.5 -35.4 14.5 -2.8 10.6 88 88 A E H X S+ 0 0 93 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 110.8 49.3 -66.8 -41.5 16.7 -4.1 13.4 89 89 A A H < S+ 0 0 29 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.2 0.914 114.9 44.8 -62.2 -43.5 14.5 -7.1 13.9 90 90 A V H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.896 113.6 49.0 -68.0 -41.1 14.6 -7.8 10.2 91 91 A H H >< S+ 0 0 60 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.827 101.2 63.4 -70.0 -28.6 18.4 -7.2 9.9 92 92 A A T 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.714 105.9 47.9 -66.1 -19.1 19.0 -9.5 12.9 93 93 A K T < S- 0 0 135 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.468 123.2-106.4 -98.4 -6.6 17.5 -12.2 10.6 94 94 A G S < S+ 0 0 58 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.973 72.0 124.6 78.1 75.6 19.6 -11.3 7.7 95 95 A C - 0 0 16 -5,-0.1 2,-0.3 -79,-0.1 -1,-0.2 -0.968 55.0-120.9-161.8 147.1 17.4 -9.5 5.2 96 96 A A E -d 53 0B 6 -44,-0.8 -42,-2.1 -2,-0.3 2,-0.4 -0.681 28.4-167.3 -91.3 147.7 17.3 -6.2 3.3 97 97 A I E -d 54 0B 0 -2,-0.3 77,-2.8 -44,-0.2 78,-0.8 -0.985 8.3-166.0-143.2 130.1 14.3 -3.9 3.8 98 98 A F E -df 55 175B 0 -44,-2.5 -42,-3.3 -2,-0.4 2,-0.5 -0.862 21.5-128.1-110.3 146.2 13.1 -0.8 1.9 99 99 A A E - f 0 176B 0 76,-2.2 78,-3.0 -2,-0.3 2,-1.0 -0.821 16.6-136.1 -95.5 126.6 10.5 1.6 3.1 100 100 A Q E -df 58 177B 5 -43,-0.5 -41,-2.6 -2,-0.5 2,-0.5 -0.730 18.9-145.5 -85.9 106.1 7.7 2.4 0.7 101 101 A L E -df 59 178B 0 76,-1.8 78,-2.0 -2,-1.0 2,-0.4 -0.596 24.1-161.2 -74.6 122.5 7.2 6.2 0.9 102 102 A W E +d 60 0B 4 -43,-2.5 -41,-2.0 -2,-0.5 2,-0.3 -0.862 32.1 164.5-118.7 139.3 3.6 6.9 0.4 103 103 A H - 0 0 1 -2,-0.4 82,-1.7 76,-0.3 83,-0.4 -0.891 17.2-163.5-145.5 112.2 1.3 9.8 -0.5 104 104 A V > - 0 0 0 -39,-2.1 3,-2.2 -2,-0.3 -39,-0.1 0.562 16.8-168.9 -74.8 -10.6 -2.2 8.8 -1.4 105 105 A G T 3 S- 0 0 1 1,-0.3 14,-0.4 79,-0.2 -1,-0.2 -0.361 72.9 -2.7 57.9-127.0 -3.1 12.1 -3.1 106 106 A R T 3 S+ 0 0 7 12,-0.2 2,-2.0 1,-0.2 38,-0.3 0.578 111.0 95.0 -73.6 -11.7 -6.8 12.1 -3.8 107 107 A V S < S+ 0 0 0 -3,-2.2 2,-0.3 76,-0.2 -1,-0.2 -0.515 76.5 66.1 -83.6 74.7 -7.4 8.6 -2.4 108 108 A T S S- 0 0 0 -2,-2.0 36,-1.8 36,-0.2 -41,-0.1 -0.938 72.1-113.3-168.1-173.7 -8.4 9.7 1.2 109 109 A H >> - 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0 0 24 18,-0.4 2,-0.2 4,-0.1 -1,-0.2 -0.575 20.0-174.0 -84.0 146.5 2.7 -15.2 -9.4 301 303 A N > - 0 0 74 -2,-0.2 4,-2.2 18,-0.0 5,-0.2 -0.681 47.5 -86.8-121.2-179.8 3.3 -18.8 -8.3 302 304 A A H > S+ 0 0 24 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 126.5 48.7 -58.1 -43.4 6.7 -20.7 -8.2 303 305 A E H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 113.6 43.9 -63.2 -49.6 6.4 -21.8 -11.9 304 306 A K H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.836 113.9 51.9 -66.6 -32.4 5.4 -18.4 -13.3 305 307 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.948 111.7 45.4 -68.7 -48.7 8.1 -16.7 -11.2 306 308 A E H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.912 113.4 50.9 -60.0 -42.3 10.8 -19.0 -12.4 307 309 A Q H X S+ 0 0 103 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.851 106.8 53.6 -66.5 -33.7 9.6 -18.7 -15.9 308 310 A A H <>S+ 0 0 9 -4,-1.8 5,-2.0 2,-0.2 6,-1.5 0.873 112.9 44.2 -68.6 -36.6 9.6 -14.9 -15.8 309 311 A I H ><5S+ 0 0 19 -4,-1.9 3,-1.4 4,-0.2 -2,-0.2 0.937 114.3 47.3 -73.7 -47.0 13.2 -14.8 -14.6 310 312 A N H 3<5S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.761 107.4 57.2 -67.5 -25.3 14.5 -17.5 -17.1 311 313 A D T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.541 117.1-115.3 -80.8 -5.9 12.7 -15.7 -20.0 312 314 A G T < 5S+ 0 0 39 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.651 86.6 112.6 82.6 16.4 14.7 -12.6 -19.1 313 315 A L S > + 0 0 18 -2,-0.5 4,-1.3 -298,-0.1 3,-0.9 0.941 68.0 31.7 -90.5 -76.4 2.0 -10.7 -1.7 321 323 A R H >> S+ 0 0 50 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.889 118.5 55.2 -53.5 -41.5 -1.0 -12.6 -0.5 322 324 A P H 3> S+ 0 0 37 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.848 105.1 54.1 -63.0 -29.7 0.9 -15.8 -0.2 323 325 A F H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 2,-0.2 6,-0.1 0.798 101.0 60.6 -74.2 -25.7 3.5 -14.1 2.1 324 326 A I H << S+ 0 0 7 -4,-1.3 -1,-0.2 -3,-0.5 34,-0.2 0.964 116.3 30.3 -62.5 -49.4 0.7 -12.9 4.4 325 327 A A H < S+ 0 0 1 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.514 121.3 52.2 -88.6 -7.4 -0.4 -16.5 5.2 326 328 A N >< - 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0 0 27 -3,-0.2 -16,-0.0 -34,-0.2 -32,-0.0 -0.782 68.8-131.4 -80.9 120.2 0.2 -17.9 10.7 359 361 A P - 0 0 95 0, 0.0 -31,-0.2 0, 0.0 -19,-0.1 -0.248 9.2-110.3 -74.5 161.8 2.4 -20.9 11.4 360 362 A T - 0 0 90 1,-0.1 2,-0.1 -33,-0.1 -31,-0.0 -0.415 59.7 -70.7 -77.8 166.6 5.5 -22.0 9.5 361 363 A Y + 0 0 73 -2,-0.1 2,-0.4 -33,-0.1 -1,-0.1 -0.352 53.4 176.8 -66.4 135.3 5.0 -25.3 7.6 362 364 A Q 0 0 165 -2,-0.1 -1,-0.0 -3,-0.1 0, 0.0 -0.914 360.0 360.0-142.4 110.2 4.7 -28.5 9.7 363 365 A A 0 0 103 -2,-0.4 -26,-0.0 -26,-0.0 0, 0.0 -0.109 360.0 360.0 -67.5 360.0 4.0 -31.9 8.0