==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-AUG-12 4GG9 . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR F.IMMEKUS,G.KLEBE . 354 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.2 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 2 4 0 1 2 0 2 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 PARALLEL BRIDGES PER LADDER . 2 1 0 0 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 . 1 1 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 11 A R 0 0 174 0, 0.0 22,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 150.8 8.6 -10.2 26.0 2 12 A P - 0 0 51 0, 0.0 3,-0.2 0, 0.0 168,-0.0 -0.280 360.0-108.0 -75.9 165.6 10.1 -8.1 28.9 3 13 A R S S- 0 0 68 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.924 101.7 -10.7 -55.0 -46.9 9.4 -4.4 29.6 4 14 A F + 0 0 29 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.884 65.2 163.3-162.5 123.7 12.9 -3.6 28.4 5 15 A S E -A 21 0A 44 16,-1.7 16,-3.0 -2,-0.3 2,-0.5 -0.877 13.7-166.3-143.0 117.2 16.0 -5.7 27.6 6 16 A F E -A 20 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.898 12.4-178.6-103.3 123.5 19.0 -4.5 25.6 7 17 A S E -A 19 0A 53 12,-2.7 12,-2.5 -2,-0.5 2,-0.6 -0.993 19.5-145.3-124.6 131.1 21.4 -7.2 24.4 8 18 A I E +A 18 0A 50 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.847 17.3 177.6 -97.6 116.4 24.6 -6.6 22.5 9 19 A A E + 0 0 87 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.737 64.7 4.7 -90.7 -26.4 25.2 -9.4 20.0 10 20 A A E -A 17 0A 24 7,-1.9 7,-2.5 2,-0.0 2,-0.3 -0.990 59.3-160.6-158.8 154.5 28.5 -8.2 18.3 11 21 A R E -A 16 0A 118 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.956 10.9-176.8-137.0 154.9 31.0 -5.4 18.6 12 22 A E E > S-A 15 0A 45 3,-2.4 3,-2.2 -2,-0.3 2,-0.2 -0.838 72.2 -48.9-150.8 109.5 33.7 -3.8 16.5 13 23 A G T 3 S- 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 236,-0.1 -0.456 123.9 -22.8 62.3-131.3 35.7 -1.1 18.2 14 24 A K T 3 S+ 0 0 89 234,-0.5 -1,-0.3 -2,-0.2 2,-0.2 0.597 118.2 103.9 -86.4 -11.2 33.2 1.2 19.8 15 25 A A E < -A 12 0A 1 -3,-2.2 -3,-2.4 233,-0.2 2,-0.3 -0.443 50.8-173.5 -74.8 144.8 30.4 0.1 17.4 16 26 A R E -A 11 0A 2 235,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.977 13.4-165.5-137.2 149.4 27.8 -2.3 18.7 17 27 A T E +A 10 0A 7 -7,-2.5 -8,-2.1 -2,-0.3 -7,-1.9 -0.992 35.0 105.1-135.7 141.7 24.9 -4.3 17.2 18 28 A G E -AB 8 29A 6 11,-1.8 11,-2.6 -2,-0.4 2,-0.3 -0.872 54.4 -77.0-177.3-149.8 22.1 -6.0 19.1 19 29 A T E -AB 7 28A 42 -12,-2.5 -12,-2.7 -2,-0.3 2,-0.5 -0.995 12.1-147.5-143.7 147.1 18.5 -5.8 20.0 20 30 A I E -AB 6 27A 0 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.985 22.9-155.9-109.0 118.3 16.1 -4.0 22.4 21 31 A E E +AB 5 26A 71 -16,-3.0 -16,-1.7 -2,-0.5 2,-0.3 -0.865 21.4 164.2 -93.6 129.4 13.2 -6.2 23.4 22 32 A M E > - B 0 25A 1 3,-1.9 3,-1.2 -2,-0.5 -19,-0.2 -0.875 52.1 -96.9-135.3 169.5 10.0 -4.5 24.6 23 33 A K T 3 S+ 0 0 93 -20,-0.5 -20,-0.1 147,-0.3 3,-0.1 0.884 122.9 43.4 -58.7 -36.4 6.4 -5.5 25.1 24 34 A R T 3 S- 0 0 99 1,-0.2 2,-0.3 -21,-0.2 -1,-0.2 0.487 125.9 -56.7 -92.5 -1.2 5.3 -4.2 21.6 25 35 A G E < -B 22 0A 1 -3,-1.2 -3,-1.9 62,-0.2 2,-0.4 -0.885 56.6 -63.7 154.5 176.3 8.3 -5.6 19.7 26 36 A V E -B 21 0A 47 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.803 33.1-155.5 -99.8 138.1 12.0 -6.0 19.0 27 37 A I E -B 20 0A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.969 11.0-143.3-115.7 117.2 14.2 -3.1 17.9 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.2 -0.693 32.9-108.9 -81.7 131.9 17.3 -3.9 15.9 29 39 A T E S+B 18 0A 0 -11,-2.6 -11,-1.8 -2,-0.3 2,-0.2 -0.907 99.6 47.4-118.9 146.3 20.3 -1.7 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 223,-0.2 0.476 92.8-172.3 -63.1 138.4 21.8 0.5 15.5 31 41 A A E -c 253 0B 3 221,-2.2 223,-1.6 -2,-0.2 2,-0.5 -0.915 27.6-152.9-115.0 138.3 18.3 1.8 14.8 32 42 A F E -c 254 0B 2 -2,-0.4 23,-0.3 221,-0.2 24,-0.3 -0.970 16.5-156.9-107.1 127.9 16.9 4.7 12.7 33 43 A M E -c 255 0B 0 221,-2.6 223,-0.6 -2,-0.5 24,-0.2 -0.903 11.6-138.5-106.6 105.5 13.6 5.9 14.0 34 44 A P - 0 0 0 0, 0.0 24,-2.9 0, 0.0 2,-0.3 -0.387 21.1-128.3 -62.3 149.6 11.4 7.7 11.5 35 45 A V B -d 58 0B 15 221,-0.5 7,-0.5 22,-0.2 24,-0.2 -0.800 30.3-178.5-106.0 140.2 9.7 10.8 12.8 36 46 A G 0 0 4 22,-1.7 4,-0.2 -2,-0.3 5,-0.1 -0.255 360.0 360.0-116.9-161.5 6.0 11.6 12.5 37 47 A T 0 0 73 2,-2.6 23,-0.2 -2,-0.1 -1,-0.1 -0.404 360.0 360.0-139.3 360.0 3.0 13.9 13.2 38 ! 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 39 49 A A 0 0 57 0, 0.0 -2,-2.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 120.7 1.0 10.4 10.9 40 50 A T - 0 0 3 1,-0.3 2,-0.3 4,-0.3 18,-0.2 0.853 360.0 -4.9 -52.0 -35.6 3.7 7.7 11.7 41 51 A V B > S-K 44 0C 0 3,-0.6 3,-2.3 -5,-0.1 -1,-0.3 -0.910 96.6 -93.3-151.8 135.1 5.6 9.5 9.0 42 52 A K T 3 S+ 0 0 49 -7,-0.5 3,-0.1 -2,-0.3 -7,-0.0 -0.230 110.9 8.4 -49.4 130.2 4.2 12.3 6.8 43 53 A A T 3 S+ 0 0 49 1,-0.2 2,-0.4 279,-0.1 -1,-0.3 0.457 110.7 100.7 77.1 6.7 2.8 10.9 3.6 44 54 A L B < -K 41 0C 16 -3,-2.3 -3,-0.6 278,-0.1 -4,-0.3 -0.974 65.4-133.7-126.1 137.4 3.0 7.2 4.7 45 55 A K >> - 0 0 162 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.525 35.9-111.9 -68.7 151.5 0.6 4.7 6.0 46 56 A P H 3> S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 117.8 58.5 -57.8 -36.3 2.0 2.7 9.0 47 57 A E H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 106.5 48.5 -62.8 -31.4 2.2 -0.5 6.9 48 58 A T H <> S+ 0 0 35 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.906 108.5 52.9 -73.8 -41.3 4.5 1.3 4.5 49 59 A V H <>S+ 0 0 0 -4,-2.0 5,-1.4 1,-0.2 4,-0.5 0.931 112.6 45.6 -56.0 -47.6 6.7 2.6 7.3 50 60 A R H ><5S+ 0 0 83 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.910 106.6 59.5 -63.2 -41.5 7.0 -1.0 8.5 51 61 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 98.1 59.3 -59.5 -28.7 7.6 -2.3 5.0 52 62 A T T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.695 126.1 -99.8 -73.5 -15.0 10.7 -0.1 4.8 53 63 A G T < 5 + 0 0 17 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.395 67.4 153.5 113.8 -0.7 12.1 -1.9 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.446 21.6-176.5 -65.4 135.6 11.4 0.4 10.7 55 65 A D S S+ 0 0 7 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.548 72.3 13.9 -99.5 -18.1 11.1 -1.3 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.956 66.1-150.7-158.9 146.9 10.2 1.9 16.0 57 67 A I E - e 0 89B 0 31,-1.2 33,-2.4 -2,-0.3 2,-0.5 -0.868 21.8-117.0-124.3 159.0 9.0 5.4 15.3 58 68 A L E -de 35 90B 6 -24,-2.9 -22,-1.7 -2,-0.3 2,-0.5 -0.872 26.2-143.2 -97.8 125.5 9.5 8.7 17.0 59 69 A G E - e 0 91B 0 31,-2.9 33,-1.8 -2,-0.5 2,-1.5 -0.794 12.6-131.9 -93.7 125.4 6.2 10.3 18.2 60 70 A N > + 0 0 22 -2,-0.5 4,-1.8 -23,-0.2 5,-0.2 -0.564 28.0 178.7 -75.4 86.4 6.1 14.1 17.9 61 71 A T H > S+ 0 0 0 -2,-1.5 4,-2.2 1,-0.2 5,-0.2 0.878 72.3 59.0 -60.4 -41.9 4.7 15.0 21.4 62 72 A Y H > S+ 0 0 65 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.933 109.7 42.6 -61.4 -45.4 4.8 18.8 20.9 63 73 A H H >> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.956 116.1 48.0 -64.6 -44.6 2.5 18.7 17.9 64 74 A L H 3<>S+ 0 0 9 -4,-1.8 5,-2.5 1,-0.3 -1,-0.2 0.772 104.5 58.6 -69.8 -26.4 0.1 16.2 19.4 65 75 A M H 3<5S+ 0 0 28 -4,-2.2 5,-0.4 4,-0.2 -1,-0.3 0.752 110.9 44.5 -78.7 -18.1 -0.2 17.9 22.7 66 76 A L H <<5S+ 0 0 96 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.1 0.891 119.8 39.1 -85.6 -54.0 -1.5 20.9 20.9 67 77 A R T <5S+ 0 0 69 -4,-2.7 -1,-0.4 -5,-0.2 -2,-0.1 -0.972 130.8 1.6-146.7 134.5 -3.8 19.1 18.6 68 78 A P T 5S- 0 0 39 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 -0.999 105.6-125.4 -81.9 -7.4 -5.6 16.8 19.1 69 79 A G >< - 0 0 14 -5,-2.5 4,-2.3 -6,-0.1 -4,-0.2 0.053 12.6-104.7 109.9 137.7 -4.4 16.9 22.7 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.4 1,-0.2 5,-0.1 0.908 119.7 50.0 -64.1 -44.2 -2.8 14.3 24.9 71 81 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 110.7 50.4 -61.3 -42.4 -6.0 13.7 26.9 72 82 A R H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 109.5 49.9 -62.1 -47.2 -8.1 13.3 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.4 0.936 110.8 50.9 -58.0 -42.1 -5.7 10.7 22.3 74 84 A A H ><5S+ 0 0 35 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.924 109.1 50.5 -59.0 -47.3 -5.8 8.8 25.7 75 85 A K H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.2 53.8 -58.7 -32.4 -9.6 8.8 25.6 76 86 A L T 3<5S- 0 0 97 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.483 133.8 -86.9 -87.3 -2.4 -9.5 7.5 22.0 77 87 A G T < 5S- 0 0 53 -3,-1.4 4,-0.4 -4,-0.4 -3,-0.2 0.430 72.2 -71.1 116.9 1.3 -7.3 4.6 23.1 78 88 A G >< - 0 0 10 -5,-2.9 4,-2.3 -6,-0.2 45,-0.2 -0.137 59.3 -70.5 100.3 163.7 -3.7 5.9 22.9 79 89 A L H > S+ 0 0 1 43,-2.6 4,-2.7 1,-0.2 5,-0.3 0.822 125.2 57.7 -65.3 -34.5 -1.4 6.9 20.0 80 90 A H H >>S+ 0 0 14 42,-0.5 4,-1.8 1,-0.2 5,-1.5 0.941 113.7 39.1 -60.7 -48.5 -0.8 3.3 18.8 81 91 A S H 45S+ 0 0 85 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.886 115.5 52.7 -65.8 -41.1 -4.5 2.7 18.2 82 92 A F H <5S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.951 120.9 31.0 -58.9 -51.8 -5.1 6.2 16.9 83 93 A M H <5S- 0 0 30 -4,-2.7 -43,-0.2 2,-0.2 -1,-0.2 0.674 106.1-120.0 -78.7 -25.1 -2.3 6.0 14.2 84 94 A G T <5 + 0 0 51 -4,-1.8 2,-0.5 -5,-0.3 -3,-0.2 0.836 69.0 131.2 79.1 34.6 -2.5 2.3 13.6 85 95 A W < + 0 0 8 -5,-1.5 -1,-0.3 -6,-0.3 -2,-0.2 -0.991 29.8 179.2-118.8 113.9 1.1 1.6 14.6 86 96 A D + 0 0 123 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.369 54.9 83.4-100.9 3.4 1.3 -1.4 17.0 87 97 A R S S- 0 0 70 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.271 94.9 -53.7 -95.5 176.6 5.1 -1.5 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.2 0, 0.0 2,-0.4 -0.252 48.1-162.9 -57.4 144.8 7.2 0.6 19.8 89 99 A I E -e 57 0B 1 -33,-0.2 36,-2.3 34,-0.2 37,-1.8 -1.000 7.1-154.6-125.0 126.9 7.0 4.3 19.8 90 100 A L E -ef 58 126B 0 -33,-2.4 -31,-2.9 -2,-0.4 2,-0.4 -0.926 18.2-152.7 -94.9 124.2 9.6 6.6 21.4 91 101 A T E -ef 59 127B 0 35,-2.4 37,-1.0 -2,-0.5 -31,-0.2 -0.858 7.6-132.8-101.4 135.6 8.1 9.9 22.4 92 102 A D - 0 0 23 -33,-1.8 38,-0.1 -2,-0.4 -31,-0.0 -0.366 21.6-121.3 -71.9 161.4 10.0 13.2 22.6 93 103 A S - 0 0 2 36,-0.2 25,-0.1 -2,-0.1 26,-0.1 0.696 36.8-120.3 -81.5 -16.5 9.6 15.2 25.7 94 104 A G S > S+ 0 0 0 16,-0.0 4,-1.6 36,-0.0 36,-0.1 0.232 83.4 111.7 98.1 -8.4 8.3 18.3 23.8 95 105 A G T 4 + 0 0 17 2,-0.2 38,-0.4 1,-0.2 35,-0.0 0.469 68.4 51.9 -89.7 -10.4 11.2 20.5 25.1 96 106 A Y T 4 S+ 0 0 152 2,-0.2 -1,-0.2 36,-0.1 36,-0.0 0.885 112.9 44.3 -88.2 -47.0 13.2 21.1 22.0 97 107 A Q T 4 0 0 87 1,-0.2 -2,-0.2 0, 0.0 -1,-0.0 0.850 360.0 360.0 -66.8 -32.3 10.3 22.3 19.9 98 108 A V < 0 0 49 -4,-1.6 -1,-0.2 9,-0.0 -3,-0.2 0.940 360.0 360.0 -73.4 360.0 9.1 24.5 22.8 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 0.0 100 117 A Q 0 0 119 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.8 11.9 29.5 31.4 101 118 A S - 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0 0 92 -4,-2.7 -12,-0.3 -5,-0.2 2,-0.2 -0.871 63.1-127.3-126.7 153.6 8.8 4.1 -11.0 302 327 A S > - 0 0 22 -2,-0.3 4,-2.4 -14,-0.1 5,-0.2 -0.539 25.7-115.9 -89.8 157.9 11.5 6.2 -12.7 303 328 A R H > S+ 0 0 34 -16,-2.9 4,-3.1 1,-0.2 5,-0.2 0.891 117.7 58.1 -49.1 -44.5 13.4 9.3 -11.8 304 329 A A H > S+ 0 0 15 -19,-2.3 4,-2.0 -17,-0.3 -1,-0.2 0.908 106.4 46.7 -60.9 -41.4 11.6 10.9 -14.7 305 330 A Y H > S+ 0 0 88 -20,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.946 114.8 45.2 -65.5 -47.2 8.2 10.2 -13.3 306 331 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.913 109.0 57.3 -68.5 -35.8 9.1 11.4 -9.8 307 332 A H H X S+ 0 0 16 -4,-3.1 4,-2.4 -25,-0.2 -1,-0.2 0.938 109.4 45.8 -49.9 -52.5 10.8 14.4 -11.2 308 333 A H H X S+ 0 0 106 -4,-2.0 4,-2.2 -5,-0.2 6,-0.2 0.940 111.9 51.3 -61.3 -45.5 7.5 15.3 -12.9 309 334 A L H <>S+ 0 0 7 -4,-2.7 5,-2.3 1,-0.2 4,-0.4 0.927 112.5 44.4 -61.1 -45.8 5.4 14.7 -9.8 310 335 A I H ><5S+ 0 0 10 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.926 113.3 50.8 -65.8 -41.9 7.6 16.8 -7.5 311 336 A R H 3<5S+ 0 0 144 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.873 110.7 50.7 -62.1 -32.4 7.7 19.6 -10.1 312 337 A A T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.477 112.5-119.1 -82.1 -3.8 3.9 19.5 -10.4 313 338 A G T < 5 + 0 0 67 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.710 53.8 167.9 70.0 22.7 3.4 19.7 -6.6 314 339 A E >>< - 0 0 102 -5,-2.3 4,-1.2 -6,-0.2 3,-0.7 -0.452 41.9-138.5 -73.4 135.2 1.7 16.3 -6.6 315 340 A I H 3> S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 104.6 62.6 -56.7 -39.2 1.0 14.5 -3.3 316 341 A L H 3> S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.876 97.8 58.2 -58.8 -33.4 2.1 11.2 -4.9 317 342 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -8,-0.3 5,-0.3 0.958 107.1 46.0 -58.2 -45.5 5.6 12.8 -5.4 318 343 A A H X S+ 0 0 24 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.906 112.2 52.5 -61.1 -43.6 5.9 13.3 -1.7 319 344 A M H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.940 114.2 41.3 -57.1 -49.6 4.6 9.8 -1.0 320 345 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.895 115.1 48.9 -71.4 -43.4 7.2 8.2 -3.3 321 346 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.911 113.9 47.9 -61.5 -42.1 10.1 10.3 -2.3 322 347 A T H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.937 110.0 50.3 -67.9 -43.4 9.4 9.7 1.4 323 348 A E H X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.935 113.7 46.4 -59.9 -45.3 9.0 6.0 1.1 324 349 A H H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.930 112.9 48.1 -61.2 -49.7 12.3 5.7 -0.8 325 350 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 113.4 46.5 -64.4 -42.4 14.3 8.0 1.6 326 351 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.907 114.0 50.0 -63.5 -39.8 13.0 6.1 4.7 327 352 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.892 107.8 53.7 -61.3 -41.4 13.8 2.8 3.0 328 353 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.944 108.9 48.7 -58.9 -49.3 17.3 4.1 2.1 329 354 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 111.0 50.1 -58.6 -41.5 17.9 4.9 5.7 330 355 A Q H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.884 109.9 50.2 -64.2 -38.5 16.7 1.5 6.8 331 356 A Q H X S+ 0 0 42 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.888 109.2 52.8 -65.3 -37.6 18.9 -0.2 4.3 332 357 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 109.9 47.4 -60.3 -47.1 21.8 1.9 5.6 333 358 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.912 111.2 51.8 -63.5 -38.1 21.1 0.7 9.2 334 359 A Q H X S+ 0 0 60 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 109.5 48.9 -63.1 -40.1 20.9 -2.9 7.9 335 360 A K H X S+ 0 0 77 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 111.9 49.9 -64.5 -39.6 24.2 -2.6 6.2 336 361 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.960 112.5 46.6 -63.4 -50.6 25.7 -1.2 9.4 337 362 A R H X S+ 0 0 11 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.936 114.7 46.5 -56.5 -47.5 24.3 -4.0 11.5 338 363 A D H X S+ 0 0 67 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.902 111.5 50.8 -63.4 -41.1 25.4 -6.7 9.2 339 364 A S H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 6,-0.6 0.905 112.5 46.2 -68.2 -40.4 28.9 -5.2 8.8 340 365 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.4 4,-0.2 -1,-0.2 0.931 110.5 53.6 -64.3 -42.8 29.4 -5.0 12.6 341 366 A S H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.771 114.2 42.9 -57.6 -30.1 28.0 -8.5 13.0 342 367 A E T 3<5S- 0 0 121 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.335 113.6-116.0 -99.9 2.9 30.6 -9.7 10.5 343 368 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.794 89.8 103.2 69.1 29.8 33.5 -7.6 11.9 344 369 A R >< + 0 0 109 -5,-2.9 4,-2.1 -6,-0.1 -4,-0.2 -0.023 33.4 114.5-131.2 29.4 33.8 -5.5 8.7 345 370 A F H > S+ 0 0 5 -6,-0.6 4,-2.7 2,-0.2 5,-0.2 0.886 74.1 57.6 -71.1 -35.6 32.2 -2.3 9.7 346 371 A S H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 110.8 44.6 -60.0 -42.1 35.4 -0.3 9.5 347 372 A Q H > S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.911 110.9 53.5 -67.2 -39.1 35.7 -1.4 5.9 348 373 A F H X S+ 0 0 25 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.922 107.8 51.1 -60.2 -44.3 32.0 -0.7 5.2 349 374 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.943 112.3 46.6 -60.7 -44.0 32.4 2.9 6.5 350 375 A Q H X S+ 0 0 51 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.935 115.7 44.7 -63.1 -45.9 35.4 3.5 4.2 351 376 A D H X S+ 0 0 90 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.911 112.3 52.9 -65.7 -41.7 33.6 2.0 1.2 352 377 A F H X S+ 0 0 8 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.961 112.9 42.9 -56.4 -51.8 30.4 3.9 2.0 353 378 A R H X S+ 0 0 62 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.884 108.3 58.8 -65.1 -38.8 32.2 7.2 2.2 354 379 A A H < S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.940 118.2 31.7 -55.6 -45.9 34.4 6.6 -0.9 355 380 A R H < S+ 0 0 91 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 116.0 54.2 -84.5 -40.1 31.3 6.2 -3.0 356 381 A Y H < 0 0 19 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.846 360.0 360.0 -64.0 -34.3 28.8 8.5 -1.3 357 382 A F < 0 0 149 -4,-2.2 0, 0.0 -5,-0.3 0, 0.0 -0.302 360.0 360.0-102.0 360.0 31.3 11.4 -1.7