==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-APR-13 3W9Z . COMPND 2 MOLECULE: TRNA-DIHYDROURIDINE SYNTHASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.CHEN,J.YU,Y.TANAKA,I.TANAKA,M.YAO . 290 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 0 3 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 88 0, 0.0 2,-0.5 0, 0.0 207,-0.2 0.000 360.0 360.0 360.0 136.0 19.1 33.4 -8.4 2 2 A R E -a 208 0A 65 205,-2.4 207,-2.6 24,-0.0 2,-0.5 -0.940 360.0-167.0-105.7 135.3 17.2 32.1 -5.3 3 3 A V E -a 209 0A 0 -2,-0.5 24,-2.5 22,-0.3 25,-0.7 -0.973 5.4-165.5-119.9 123.7 14.4 34.2 -3.8 4 4 A L E -ab 210 28A 2 205,-2.9 207,-2.7 -2,-0.5 2,-0.6 -0.836 20.2-129.1-106.1 141.2 13.1 33.2 -0.3 5 5 A L E -ab 211 29A 1 23,-2.7 25,-2.1 -2,-0.4 207,-0.2 -0.829 33.5-128.9 -84.9 119.8 9.9 34.5 1.3 6 6 A A - 0 0 6 205,-2.5 2,-0.4 -2,-0.6 26,-0.1 -0.170 20.5-103.9 -62.5 154.6 10.8 35.7 4.8 7 7 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 24,-0.1 -0.691 37.7-175.5 -73.7 134.5 9.0 34.6 7.9 8 8 A M >> - 0 0 33 -2,-0.4 4,-2.8 4,-0.3 3,-2.5 -0.755 13.4-152.1-135.8 85.9 6.6 37.5 9.0 9 9 A E T 34 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.3 22,-0.0 -0.425 85.6 15.3 -63.8 125.6 5.0 36.6 12.3 10 10 A G T 34 S+ 0 0 27 2,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.452 131.3 51.9 88.2 1.9 1.6 38.4 12.4 11 11 A V T <4 S+ 0 0 14 -3,-2.5 2,-0.5 1,-0.4 -2,-0.2 0.556 104.2 43.4-129.5 -53.8 1.7 39.2 8.7 12 12 A L < + 0 0 4 -4,-2.8 -1,-0.4 4,-0.1 -4,-0.3 -0.872 62.6 154.3-103.9 128.2 2.3 36.0 6.7 13 13 A D >> - 0 0 26 -2,-0.5 4,-2.8 -3,-0.1 3,-0.6 -0.767 62.5 -74.7-133.6-175.9 0.6 32.7 7.5 14 14 A S H 3> S+ 0 0 31 35,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.763 127.9 54.4 -52.9 -32.8 -0.3 29.6 5.6 15 15 A L H 3> S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 111.4 42.2 -70.7 -42.5 -3.2 31.4 3.8 16 16 A V H <> S+ 0 0 1 -3,-0.6 4,-3.3 2,-0.2 5,-0.3 0.881 111.9 56.7 -74.6 -35.3 -1.1 34.2 2.5 17 17 A R H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.924 108.9 45.7 -54.2 -47.2 1.7 31.8 1.6 18 18 A E H X S+ 0 0 63 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.919 115.8 47.6 -65.7 -41.8 -0.8 29.8 -0.6 19 19 A L H >X S+ 0 0 3 -4,-2.0 4,-0.8 2,-0.2 3,-0.6 0.975 117.6 39.5 -58.0 -60.8 -2.0 33.0 -2.1 20 20 A L H >< S+ 0 0 0 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.897 110.2 56.2 -62.4 -45.4 1.4 34.5 -2.8 21 21 A T H >< S+ 0 0 4 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.774 99.5 64.4 -63.3 -21.8 3.2 31.4 -4.0 22 22 A E H << S+ 0 0 99 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.877 112.3 32.4 -64.8 -40.6 0.5 30.9 -6.6 23 23 A V T << S+ 0 0 34 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.3 -0.178 119.1 59.4-110.5 35.7 1.5 34.1 -8.4 24 24 A N S < S- 0 0 4 -3,-1.0 2,-0.1 198,-0.1 196,-0.1 -0.963 70.6-129.3-151.1 166.6 5.2 34.0 -7.6 25 25 A D + 0 0 60 -2,-0.3 2,-0.3 195,-0.1 -22,-0.3 -0.475 41.1 162.5-120.0 63.7 8.3 31.9 -8.1 26 26 A Y - 0 0 7 1,-0.1 -22,-0.2 -5,-0.1 38,-0.2 -0.627 31.7-151.4 -72.1 135.2 9.7 31.7 -4.5 27 27 A D S S- 0 0 61 -24,-2.5 37,-0.4 -2,-0.3 2,-0.3 0.749 76.8 -3.9 -74.2 -26.1 12.2 29.0 -4.0 28 28 A L E -b 4 0A 4 -25,-0.7 -23,-2.7 35,-0.1 2,-0.4 -0.945 58.7-148.2-167.3 140.7 11.3 28.5 -0.3 29 29 A C E -bc 5 65A 1 35,-1.8 37,-2.9 -2,-0.3 2,-0.5 -0.958 14.8-145.0-114.2 139.8 9.1 30.1 2.3 30 30 A I E - c 0 66A 5 -25,-2.1 -22,-0.2 -2,-0.4 37,-0.2 -0.879 21.5-129.4-101.5 132.1 10.1 30.1 6.0 31 31 A T E - 0 0 0 35,-2.8 3,-0.1 -2,-0.5 -22,-0.1 -0.377 33.2 -87.3 -72.6 161.2 7.2 29.7 8.4 32 32 A E E - 0 0 27 -20,-0.2 36,-0.5 17,-0.2 -1,-0.1 -0.318 69.1 -80.4 -55.0 150.1 6.6 32.1 11.4 33 33 A F E - c 0 68A 30 34,-0.1 2,-0.6 36,-0.1 36,-0.2 -0.248 28.5-137.3 -66.6 143.8 8.6 30.7 14.3 34 34 A V E - c 0 69A 2 34,-2.5 36,-2.5 -3,-0.1 2,-0.5 -0.920 31.3-128.9 -89.6 116.3 7.6 27.9 16.5 35 35 A R E - c 0 70A 158 -2,-0.6 2,-0.4 34,-0.2 36,-0.2 -0.618 27.7-167.7 -74.7 120.7 8.5 29.2 20.0 36 36 A V + 0 0 6 34,-3.7 36,-0.4 -2,-0.5 37,-0.2 -0.930 23.5 148.3-113.9 131.3 10.6 26.6 21.8 37 37 A V S S- 0 0 83 -2,-0.4 36,-0.3 2,-0.3 39,-0.2 0.485 76.3 -39.7-119.4 -87.7 11.4 26.7 25.5 38 38 A D S S+ 0 0 82 38,-0.1 2,-0.3 37,-0.1 -2,-0.1 0.147 109.2 78.5-135.2 18.1 11.8 23.4 27.4 39 39 A Q S S- 0 0 138 37,-0.0 2,-0.6 0, 0.0 -2,-0.3 -0.950 78.0-113.9-127.8 149.6 9.1 21.1 26.0 40 40 A L - 0 0 54 -2,-0.3 37,-0.1 -4,-0.1 -2,-0.0 -0.729 44.5-128.4 -69.8 121.8 8.5 19.0 22.9 41 41 A L - 0 0 39 -2,-0.6 5,-0.0 1,-0.1 -5,-0.0 -0.497 26.7 -99.8 -76.5 144.6 5.6 20.8 21.2 42 42 A P >> - 0 0 73 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.288 26.5-114.8 -62.8 148.5 2.6 18.7 20.2 43 43 A V H 3> S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 113.8 63.0 -45.5 -38.4 2.1 17.6 16.6 44 44 A K H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 97.2 55.3 -65.2 -35.5 -1.0 19.7 16.4 45 45 A V H <> S+ 0 0 54 -3,-1.1 4,-2.2 2,-0.2 5,-0.3 0.936 109.2 47.5 -61.0 -46.3 1.0 23.0 16.9 46 46 A F H X S+ 0 0 2 -4,-1.2 4,-3.0 1,-0.2 -2,-0.2 0.917 112.1 49.2 -61.2 -45.0 3.3 22.1 14.0 47 47 A H H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 111.5 50.0 -65.8 -31.0 0.4 21.2 11.7 48 48 A R H < S+ 0 0 169 -4,-1.8 -34,-0.2 -5,-0.2 -1,-0.2 0.891 116.5 38.9 -76.6 -42.1 -1.4 24.4 12.5 49 49 A I H < S+ 0 0 34 -4,-2.2 -35,-0.3 1,-0.2 -17,-0.2 0.887 131.7 30.9 -70.4 -38.5 1.6 26.7 11.9 50 50 A C >< + 0 0 0 -4,-3.0 3,-2.1 -5,-0.3 4,-0.3 -0.619 59.4 164.5-128.2 75.0 2.6 24.6 8.9 51 51 A P G > S+ 0 0 51 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.774 75.0 74.9 -53.5 -30.7 -0.4 23.0 7.1 52 52 A E G > >S+ 0 0 8 1,-0.3 5,-1.7 2,-0.2 3,-1.5 0.718 74.8 78.5 -57.0 -22.8 2.0 22.4 4.2 53 53 A L G X 5S+ 0 0 7 -3,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.820 92.8 50.7 -59.3 -30.6 3.6 19.5 6.2 54 54 A Q G < 5S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.624 106.4 56.8 -83.3 -10.8 0.6 17.4 5.2 55 55 A N G X 5S- 0 0 82 -3,-1.5 3,-1.2 -4,-0.4 -1,-0.2 -0.328 132.5 -86.4-109.6 47.6 1.2 18.4 1.6 56 56 A A T < 5S- 0 0 73 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.852 82.9 -60.1 49.8 40.2 4.9 17.2 1.5 57 57 A S T 3 - 0 0 0 4,-2.3 3,-1.8 -2,-0.3 -41,-0.1 -0.224 51.4 -93.1 -67.9 170.2 2.0 25.1 -0.6 60 60 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.904 129.8 53.6 -59.3 -35.4 -0.9 23.9 -2.8 61 61 A S T 3 S- 0 0 53 -43,-0.2 -43,-0.0 2,-0.1 -2,-0.0 0.497 125.4-102.0 -76.2 -3.9 0.9 25.4 -5.9 62 62 A G < + 0 0 27 -3,-1.8 2,-0.4 1,-0.3 -1,-0.1 0.497 69.5 144.4 103.4 4.0 4.0 23.4 -5.0 63 63 A T - 0 0 18 1,-0.1 -4,-2.3 -45,-0.1 -1,-0.3 -0.645 52.2-113.3 -77.7 128.2 6.5 25.9 -3.4 64 64 A L B -I 58 0B 31 -2,-0.4 -35,-1.8 -37,-0.4 2,-0.4 -0.199 29.8-162.9 -58.2 145.9 8.6 24.4 -0.6 65 65 A V E -c 29 0A 0 -8,-2.3 25,-0.9 -37,-0.2 2,-0.4 -0.985 2.5-155.6-131.7 140.3 8.1 25.7 3.0 66 66 A R E -c 30 0A 1 -37,-2.9 -35,-2.8 -2,-0.4 2,-0.2 -0.977 18.4-124.1-121.8 130.4 10.4 25.2 6.0 67 67 A V E - d 0 92A 0 24,-0.6 26,-2.8 -2,-0.4 2,-0.4 -0.491 25.3-149.2 -66.9 131.4 9.4 25.2 9.7 68 68 A Q E -cd 33 93A 2 -36,-0.5 -34,-2.5 -2,-0.2 2,-0.3 -0.849 7.3-158.6-101.6 141.1 11.3 27.8 11.7 69 69 A L E -cd 34 94A 0 24,-2.9 26,-3.0 -2,-0.4 2,-0.4 -0.864 2.8-163.3-112.4 147.5 12.1 27.3 15.4 70 70 A L E +cd 35 95A 18 -36,-2.5 -34,-3.7 -2,-0.3 2,-0.3 -0.987 38.8 96.5-130.0 127.2 12.9 30.0 18.0 71 71 A G - 0 0 6 24,-0.5 -34,-0.1 -2,-0.4 39,-0.1 -0.983 56.3-128.8 173.1 177.7 14.6 29.1 21.2 72 72 A Q S S+ 0 0 108 -36,-0.4 -1,-0.1 -2,-0.3 -35,-0.1 0.742 75.1 88.9-118.1 -47.0 17.7 28.8 23.4 73 73 A F >> - 0 0 105 -36,-0.3 4,-2.4 -37,-0.2 3,-1.0 -0.439 61.0-154.5 -67.8 109.3 17.9 25.4 24.9 74 74 A P H 3> S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.802 89.6 59.4 -53.9 -36.7 19.8 23.1 22.5 75 75 A Q H 3> S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.897 111.9 38.2 -60.7 -41.8 18.1 19.9 23.8 76 76 A W H <> S+ 0 0 59 -3,-1.0 4,-2.8 -39,-0.2 5,-0.3 0.883 110.7 57.4 -85.0 -36.3 14.7 21.2 23.0 77 77 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.940 110.1 49.7 -50.8 -45.8 15.6 22.9 19.7 78 78 A A H X S+ 0 0 16 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.914 111.4 45.0 -62.5 -46.9 16.8 19.4 18.7 79 79 A E H X S+ 0 0 73 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.924 116.1 46.2 -68.5 -41.1 13.7 17.5 19.7 80 80 A N H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.873 111.0 53.9 -66.0 -34.3 11.4 20.0 18.1 81 81 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.933 108.9 48.6 -62.1 -47.0 13.7 20.0 15.0 82 82 A A H X S+ 0 0 22 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.909 112.0 49.1 -58.1 -45.0 13.4 16.2 14.8 83 83 A R H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 107.5 53.8 -63.7 -44.0 9.6 16.4 15.1 84 84 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.947 113.9 43.8 -52.5 -48.2 9.3 19.1 12.4 85 85 A V H ><5S+ 0 0 21 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.905 109.3 54.5 -64.9 -45.2 11.2 16.8 10.1 86 86 A E H 3<5S+ 0 0 145 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.921 106.7 54.1 -55.6 -42.7 9.3 13.6 11.0 87 87 A L T 3<5S- 0 0 39 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.550 132.7 -90.9 -71.7 -8.3 6.1 15.5 10.2 88 88 A G T < 5 + 0 0 32 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.513 67.2 157.8 119.2 7.0 7.5 16.3 6.7 89 89 A S < - 0 0 2 -5,-2.2 2,-2.1 -6,-0.2 -1,-0.2 -0.425 47.1-125.5 -70.2 131.3 9.3 19.6 7.0 90 90 A W S S- 0 0 94 -25,-0.9 -1,-0.1 -2,-0.2 -5,-0.1 -0.528 77.5 -50.2 -73.7 83.6 11.9 20.2 4.2 91 91 A G S S- 0 0 0 -2,-2.1 -24,-0.6 -25,-0.1 2,-0.3 -0.199 74.9 -92.7 73.5-173.1 14.7 20.8 6.8 92 92 A V E -de 67 124A 0 31,-1.9 33,-1.9 -26,-0.1 2,-0.3 -0.998 23.7-144.0-142.5 144.7 14.4 23.3 9.7 93 93 A D E -de 68 125A 0 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.5 -0.806 9.3-145.9-108.6 148.7 15.3 27.0 10.2 94 94 A L E -de 69 126A 2 31,-2.1 33,-2.8 -2,-0.3 2,-0.6 -0.948 10.6-141.0-119.0 119.5 16.6 28.6 13.4 95 95 A N E +de 70 127A 2 -26,-3.0 -24,-0.5 -2,-0.5 33,-0.1 -0.668 36.8 151.9 -81.4 118.3 15.7 32.1 14.4 96 96 A C E + e 0 128A 6 31,-2.2 5,-0.7 -2,-0.6 33,-0.6 0.045 65.9 60.4-130.6 19.9 18.6 34.0 15.9 97 97 A G 0 0 4 31,-0.3 31,-0.1 3,-0.2 34,-0.1 0.649 360.0 360.0-118.0 -29.9 17.6 37.6 14.8 98 98 A C 0 0 69 31,-0.0 -1,-0.1 2,-0.0 -3,-0.0 -0.010 360.0 360.0 -74.8 360.0 14.2 38.3 16.5 99 ! 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 0.0 100 112 A L 0 0 57 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -67.4 18.2 37.7 19.8 101 113 A L + 0 0 17 -5,-0.7 6,-0.1 1,-0.1 31,-0.1 -0.860 360.0 179.6-106.2 107.5 21.4 35.9 20.8 102 114 A K + 0 0 130 -2,-0.7 -1,-0.1 1,-0.1 30,-0.1 0.196 69.1 77.3 -86.2 14.0 24.3 38.1 21.7 103 115 A D >> - 0 0 76 1,-0.1 4,-1.5 38,-0.0 3,-1.2 -0.923 64.3-159.8-131.6 107.7 26.5 35.0 22.4 104 116 A P H 3> S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.701 93.2 65.2 -56.0 -20.4 27.9 33.1 19.4 105 117 A E H 3> S+ 0 0 98 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 100.0 48.9 -71.4 -38.2 28.3 30.1 21.7 106 118 A L H <> S+ 0 0 62 -3,-1.2 4,-2.8 2,-0.2 5,-0.2 0.909 112.1 47.9 -66.2 -46.3 24.5 29.8 22.1 107 119 A I H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.928 112.3 51.9 -57.9 -42.7 23.9 30.0 18.4 108 120 A Y H X S+ 0 0 55 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.953 113.8 41.5 -60.0 -51.9 26.7 27.4 18.0 109 121 A Q H X S+ 0 0 67 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.908 116.0 49.0 -63.5 -44.8 25.1 24.9 20.5 110 122 A G H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.956 114.8 42.9 -61.2 -51.8 21.6 25.4 19.3 111 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.869 113.2 53.6 -63.2 -38.0 22.3 25.0 15.6 112 124 A K H X S+ 0 0 50 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.950 107.4 49.6 -62.6 -49.6 24.6 22.0 16.3 113 125 A A H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.909 114.3 46.8 -53.7 -45.3 21.9 20.2 18.3 114 126 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.2 51.5 -64.3 -46.1 19.5 20.8 15.4 115 127 A R H < S+ 0 0 33 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.944 113.8 44.7 -57.1 -46.7 22.0 19.7 12.7 116 128 A E H < S+ 0 0 145 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 114.9 49.2 -67.0 -30.0 22.7 16.4 14.6 117 129 A A H < S+ 0 0 32 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.706 101.7 71.1 -82.7 -23.6 18.9 15.9 15.2 118 130 A V S < S- 0 0 3 -4,-2.1 2,-0.1 -3,-0.2 -36,-0.1 -0.809 101.9 -95.9 -96.7 138.5 17.9 16.5 11.6 119 131 A P > - 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0 0 0 -4,-2.9 3,-1.5 1,-0.1 4,-0.5 -0.906 56.3-160.6-109.6 119.0 -0.2 51.6 -5.0 266 285 A D T >> S+ 0 0 141 -2,-0.6 3,-1.1 1,-0.3 4,-0.6 0.857 94.1 61.9 -60.1 -37.2 -1.9 55.0 -4.9 267 286 A E H 3> S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.564 92.5 68.0 -65.6 -10.8 -5.3 53.3 -5.3 268 287 A A H <> S+ 0 0 0 -3,-1.5 4,-2.1 -7,-0.3 -1,-0.2 0.776 86.7 64.2 -83.2 -27.0 -4.7 51.5 -2.0 269 288 A T H <> S+ 0 0 56 -3,-1.1 4,-1.6 -4,-0.5 -1,-0.2 0.876 106.0 43.4 -67.3 -37.6 -4.9 54.5 0.3 270 289 A E H X S+ 0 0 130 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.907 114.7 49.0 -70.6 -44.0 -8.6 55.1 -0.6 271 290 A L H X S+ 0 0 13 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.807 108.5 55.7 -67.8 -28.7 -9.5 51.5 -0.3 272 291 A F H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 108.9 45.6 -65.9 -46.8 -7.7 51.4 3.1 273 292 A Q H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.1 53.0 -63.7 -42.3 -9.8 54.2 4.4 274 293 A H H < S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.4 37.9 -56.2 -50.9 -13.0 52.6 3.1 275 294 A V H < S+ 0 0 2 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.758 95.2 88.6 -81.9 -27.2 -12.3 49.2 4.7 276 295 A R < 0 0 105 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.635 360.0 360.0 -66.3 133.7 -10.9 50.6 7.9 277 296 A V 0 0 156 -2,-0.3 5,-0.1 2,-0.0 -3,-0.1 -0.579 360.0 360.0 56.5 360.0 -14.2 51.0 9.9 278 ! 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 0.0 279 300 A S > 0 0 108 0, 0.0 2,-1.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 157.3 -17.4 44.1 11.1 280 301 A P T 3 + 0 0 91 0, 0.0 3,-0.4 0, 0.0 4,-0.2 -0.278 360.0 112.7 -83.6 48.7 -16.2 41.6 8.4 281 302 A D T >> + 0 0 82 -2,-1.0 4,-1.9 1,-0.2 3,-0.8 0.508 55.2 91.2 -82.7 -14.0 -18.6 43.1 5.8 282 303 A I H <> S+ 0 0 35 -3,-0.8 4,-2.6 1,-0.3 5,-0.3 0.806 74.2 65.3 -45.8 -35.2 -15.2 44.1 4.4 283 304 A A H 3> S+ 0 0 32 -3,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.938 104.2 42.8 -54.9 -51.5 -15.5 40.8 2.5 284 305 A R H <> S+ 0 0 155 -3,-0.8 4,-1.9 -4,-0.2 -2,-0.2 0.924 111.6 54.5 -61.1 -47.8 -18.5 42.1 0.6 285 306 A A H X S+ 0 0 27 -4,-1.9 4,-1.1 2,-0.2 3,-0.2 0.934 115.0 39.4 -52.2 -53.1 -16.9 45.5 -0.0 286 307 A I H >< S+ 0 0 2 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.944 116.1 50.9 -61.0 -49.9 -13.8 44.0 -1.5 287 308 A Q H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.711 103.5 63.2 -64.1 -20.5 -15.7 41.2 -3.4 288 309 A A H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.918 76.4 104.7 -69.6 -46.7 -18.0 43.9 -4.9 289 310 A I << - 0 0 51 -4,-1.1 2,-0.3 -3,-0.5 -47,-0.0 -0.042 65.5-138.5 -46.3 125.4 -15.4 45.8 -6.9 290 311 A D - 0 0 119 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.726 20.9-127.4 -84.8 140.4 -15.4 45.3 -10.6 291 312 A I + 0 0 58 -2,-0.3 -1,-0.1 1,-0.1 -53,-0.1 0.925 68.6 97.4 -63.6 -60.4 -11.9 45.0 -11.9 292 313 A E 0 0 122 1,-0.2 -1,-0.1 -57,-0.0 0, 0.0 -0.227 360.0 360.0 42.4-124.2 -11.4 47.5 -14.8 293 314 A K 0 0 153 -3,-0.1 -1,-0.2 -59,-0.1 -2,-0.1 -0.374 360.0 360.0-145.7 360.0 -10.0 50.4 -14.3