==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-OCT-12 4HQV . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR I.BIELA,N.TIDTEN-LUKSCH,A.HEINE,K.REUTER,G.KLEBE . 373 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.0 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 . 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.9 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 1 2 1 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 . 0 3 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 . 1 1 1 1 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 2 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 11 A R 0 0 167 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.8 8.7 -11.1 25.8 2 12 A P - 0 0 51 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.316 360.0-104.6 -81.5 169.3 10.0 -9.0 28.8 3 13 A R S S- 0 0 68 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.926 102.1 -11.2 -54.8 -48.0 9.4 -5.4 29.5 4 14 A F + 0 0 24 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.909 64.4 162.7-160.5 124.9 12.9 -4.6 28.4 5 15 A S E -A 21 0A 47 16,-1.5 16,-2.4 -2,-0.3 2,-0.6 -0.864 14.6-165.1-146.9 115.0 16.0 -6.7 27.6 6 16 A F E -A 20 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.874 12.2-177.3-100.6 122.4 19.0 -5.4 25.6 7 17 A S E -A 19 0A 60 12,-2.8 12,-2.3 -2,-0.6 2,-0.6 -0.976 18.7-146.2-122.9 132.0 21.4 -8.1 24.4 8 18 A I E +A 18 0A 46 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.860 18.1 176.1 -97.9 118.5 24.6 -7.5 22.5 9 19 A A E + 0 0 85 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.773 64.2 7.0 -92.7 -31.9 25.3 -10.3 19.9 10 20 A A E -A 17 0A 24 7,-1.9 7,-2.5 2,-0.0 2,-0.3 -0.996 59.4-163.3-152.6 154.4 28.4 -9.0 18.3 11 21 A R E -A 16 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.956 10.4-179.0-135.4 155.4 31.0 -6.2 18.5 12 22 A E E > S-A 15 0A 45 3,-2.2 3,-2.0 -2,-0.3 2,-0.2 -0.820 71.5 -47.2-153.5 114.0 33.7 -4.6 16.5 13 23 A G T 3 S- 0 0 75 1,-0.3 -1,-0.1 -2,-0.3 251,-0.1 -0.456 124.4 -23.6 57.4-128.5 35.7 -1.8 18.0 14 24 A K T 3 S+ 0 0 88 249,-0.6 -1,-0.3 -2,-0.2 250,-0.1 0.618 118.1 104.5 -83.3 -13.9 33.1 0.5 19.7 15 25 A A E < -A 12 0A 1 -3,-2.0 -3,-2.2 248,-0.2 2,-0.3 -0.394 49.7-173.4 -72.7 143.3 30.4 -0.8 17.3 16 26 A R E -A 11 0A 2 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.973 12.3-165.7-133.0 150.0 27.7 -3.2 18.6 17 27 A T E +A 10 0A 7 -7,-2.5 -8,-2.1 -2,-0.3 -7,-1.9 -0.999 35.3 101.6-132.0 142.5 24.9 -5.1 17.1 18 28 A G E -AB 8 29A 7 11,-1.9 11,-2.6 -2,-0.4 2,-0.3 -0.849 54.3 -71.3-175.7-145.7 22.1 -6.8 19.0 19 29 A T E -AB 7 28A 47 -12,-2.3 -12,-2.8 -2,-0.2 2,-0.5 -0.996 10.6-152.5-144.6 145.2 18.4 -6.7 20.0 20 30 A I E -AB 6 27A 0 7,-2.5 7,-3.4 -2,-0.3 2,-0.5 -0.994 22.6-158.0-112.5 120.2 16.1 -4.9 22.4 21 31 A E E +AB 5 26A 68 -16,-2.4 -16,-1.5 -2,-0.5 2,-0.3 -0.886 20.6 163.8 -98.4 128.5 13.2 -7.2 23.3 22 32 A M E > - B 0 25A 1 3,-2.2 3,-1.2 -2,-0.5 -19,-0.2 -0.862 52.4 -95.9-134.5 171.5 10.1 -5.4 24.5 23 33 A K T 3 S+ 0 0 90 -20,-0.5 -20,-0.1 162,-0.3 3,-0.1 0.894 122.6 46.1 -57.9 -40.5 6.5 -6.5 24.9 24 34 A R T 3 S- 0 0 96 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.506 126.2 -57.2 -84.5 -4.2 5.4 -5.1 21.6 25 35 A G E < -B 22 0A 0 -3,-1.2 -3,-2.2 62,-0.2 2,-0.4 -0.896 57.9 -65.4 156.0 179.5 8.3 -6.5 19.6 26 36 A V E -B 21 0A 52 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.821 34.2-153.0-101.6 138.1 12.0 -6.9 19.0 27 37 A I E -B 20 0A 0 -7,-3.4 -7,-2.5 -2,-0.4 2,-0.4 -0.959 10.2-144.5-111.7 119.9 14.2 -4.0 17.9 28 38 A R E -B 19 0A 80 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.693 32.3-110.0 -82.3 133.5 17.3 -4.9 15.9 29 39 A T E S+B 18 0A 0 -11,-2.6 -11,-1.9 -2,-0.4 2,-0.1 -0.905 99.1 48.4-122.8 147.9 20.3 -2.6 16.7 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 238,-0.2 0.455 93.6-172.9 -59.8 139.8 21.8 -0.4 15.4 31 41 A A E -c 268 0B 3 236,-2.4 238,-1.8 -2,-0.1 2,-0.5 -0.899 26.6-153.1-118.3 138.8 18.3 0.9 14.7 32 42 A F E -c 269 0B 2 -2,-0.4 23,-0.4 236,-0.2 24,-0.3 -0.963 15.0-155.4-106.5 129.3 16.8 3.7 12.7 33 43 A M E -c 270 0B 0 236,-2.9 238,-0.8 -2,-0.5 24,-0.2 -0.888 10.0-139.9-104.6 112.1 13.5 5.1 13.8 34 44 A P - 0 0 1 0, 0.0 24,-2.7 0, 0.0 2,-0.5 -0.413 29.3-115.9 -63.7 151.1 11.3 6.8 11.3 35 45 A V E -d 58 0B 4 236,-0.4 2,-0.6 22,-0.2 7,-0.5 -0.802 23.7-166.2-101.0 126.5 9.6 9.8 12.8 36 46 A G E -dE 59 41B 2 22,-4.0 24,-1.4 -2,-0.5 3,-0.4 -0.941 10.9-178.5-104.4 113.6 5.9 10.0 13.2 37 47 A T S S+ 0 0 20 3,-1.5 2,-2.3 -2,-0.6 23,-0.8 0.800 75.4 11.8 -73.5-107.5 4.9 13.6 14.0 38 48 A A S S- 0 0 44 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.389 135.0 -63.2 -57.1 53.5 1.2 14.1 14.6 39 49 A A S S+ 0 0 13 -2,-2.3 2,-0.3 -3,-0.4 -1,-0.2 0.790 116.9 87.0 64.5 33.7 0.6 10.3 14.7 40 50 A T S S- 0 0 62 5,-0.0 -3,-1.5 6,-0.0 2,-0.8 -0.930 75.0-129.6-157.7 134.8 1.7 9.5 11.2 41 51 A V B > -E 36 0B 4 3,-0.4 3,-2.2 -2,-0.3 -5,-0.2 -0.821 63.2 -96.6 -77.0 113.0 4.9 8.7 9.4 42 52 A K T 3 S- 0 0 71 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 -0.036 95.0 -6.9 -53.8 128.1 4.3 11.3 6.7 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 294,-0.1 -1,-0.3 0.514 112.6 101.0 70.6 11.5 2.8 9.9 3.5 44 54 A L < - 0 0 12 -3,-2.2 -3,-0.4 293,-0.1 -1,-0.1 -0.979 67.0-133.2-127.7 135.2 3.1 6.3 4.6 45 55 A K >> - 0 0 133 -2,-0.4 4,-2.1 1,-0.1 3,-0.6 -0.538 35.7-113.3 -69.1 151.3 0.6 3.7 6.0 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 118.1 59.2 -54.7 -37.0 2.1 1.9 9.0 47 57 A E H 3> S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.881 106.6 47.9 -60.3 -35.9 2.2 -1.4 7.0 48 58 A T H <> S+ 0 0 31 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.907 108.8 53.2 -69.7 -43.6 4.4 0.4 4.5 49 59 A V H <>S+ 0 0 1 -4,-2.1 5,-1.3 1,-0.2 4,-0.4 0.929 113.3 44.4 -54.2 -43.0 6.7 1.7 7.3 50 60 A R H ><5S+ 0 0 82 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.910 106.8 59.5 -69.9 -41.4 6.9 -1.9 8.5 51 61 A A H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 98.2 59.6 -58.2 -30.1 7.5 -3.2 5.0 52 62 A T T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.673 126.4 -99.9 -72.2 -18.4 10.6 -1.0 4.7 53 63 A G T < 5 + 0 0 18 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.321 68.1 153.3 117.6 -4.4 12.1 -2.9 7.7 54 64 A A < - 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.323 21.8-175.0 -58.0 135.1 11.4 -0.4 10.6 55 65 A D S S+ 0 0 8 -23,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.560 71.4 13.2-102.2 -18.9 11.1 -2.2 14.0 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.979 66.0-152.4-156.0 146.5 10.1 0.9 16.0 57 67 A I E - f 0 89B 3 31,-1.4 33,-2.6 -2,-0.3 2,-0.4 -0.864 17.5-123.2-121.2 165.1 9.0 4.5 15.2 58 68 A L E -df 35 90B 1 -24,-2.7 -22,-4.0 -2,-0.3 2,-0.4 -0.885 17.8-158.7-107.8 137.6 9.3 7.7 17.1 59 69 A G E -df 36 91B 4 31,-2.8 33,-1.8 -2,-0.4 2,-0.9 -0.951 18.6-127.5-113.6 136.6 6.4 9.9 18.1 60 70 A N > - 0 0 12 -24,-1.4 4,-2.4 -23,-0.8 3,-0.3 -0.733 15.1-164.4 -83.5 105.0 6.7 13.6 18.9 61 71 A T H > S+ 0 0 0 -2,-0.9 4,-2.6 31,-0.3 5,-0.2 0.883 86.4 56.6 -52.8 -46.8 5.1 14.4 22.3 62 72 A Y H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.919 111.5 41.6 -54.3 -47.7 5.0 18.1 21.7 63 73 A H H > S+ 0 0 37 -3,-0.3 4,-2.4 1,-0.2 3,-0.3 0.929 114.1 51.7 -70.6 -41.8 2.9 17.8 18.6 64 74 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -2,-0.2 0.864 106.5 53.8 -63.3 -35.5 0.7 15.1 19.9 65 75 A M H <5S+ 0 0 9 -4,-2.6 5,-0.4 -5,-0.2 -1,-0.2 0.840 113.8 42.4 -71.8 -28.3 -0.2 17.1 23.1 66 76 A L H <5S+ 0 0 27 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 119.3 45.5 -81.2 -35.2 -1.3 20.1 20.9 67 77 A R T <5S- 0 0 161 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.860 132.3 -5.8-163.2 119.8 -3.1 18.0 18.3 68 78 A P T 5S- 0 0 33 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 -0.996 106.1-117.4 -86.2 -2.0 -5.1 15.8 18.8 69 79 A G >< - 0 0 14 -5,-2.6 4,-2.0 -6,-0.2 -4,-0.2 0.049 9.4-111.6 112.1 139.2 -4.3 16.0 22.5 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.3 2,-0.2 5,-0.1 0.932 116.1 47.3 -70.9 -46.1 -2.8 13.4 24.9 71 81 A E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 111.2 52.5 -59.4 -41.4 -5.9 12.8 26.9 72 82 A R H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 108.5 49.5 -63.2 -45.1 -8.0 12.4 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 4,-0.4 0.931 110.4 51.6 -60.6 -42.9 -5.6 9.8 22.4 74 84 A A H ><5S+ 0 0 36 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.919 108.7 50.7 -56.1 -45.4 -5.7 8.0 25.7 75 85 A K H 3<5S+ 0 0 183 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.6 52.6 -62.9 -36.5 -9.6 8.0 25.6 76 86 A L T 3<5S- 0 0 95 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.414 133.1 -87.8 -81.4 -1.2 -9.4 6.6 22.1 77 87 A G T < 5S- 0 0 54 -3,-1.5 4,-0.4 -4,-0.4 -3,-0.2 0.503 72.1 -67.8 112.3 7.5 -7.2 3.7 23.2 78 88 A G >< - 0 0 10 -5,-2.8 4,-2.6 -6,-0.2 60,-0.2 -0.120 60.3 -70.1 97.4 165.0 -3.6 5.0 22.9 79 89 A L H > S+ 0 0 4 58,-2.7 4,-2.8 1,-0.2 5,-0.4 0.872 125.5 55.8 -64.5 -40.3 -1.3 6.0 20.1 80 90 A H H >>S+ 0 0 10 57,-0.5 4,-1.7 1,-0.2 5,-1.1 0.928 114.5 39.0 -58.4 -47.5 -0.8 2.5 18.7 81 91 A S H 45S+ 0 0 84 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.921 114.4 55.3 -67.7 -47.4 -4.5 1.9 18.3 82 92 A F H <5S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 121.6 26.1 -52.4 -50.9 -5.1 5.4 17.1 83 93 A M H <5S- 0 0 31 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.608 106.3-116.9 -99.4 -10.7 -2.5 5.3 14.2 84 94 A G T <5S+ 0 0 52 -4,-1.7 2,-0.5 -5,-0.4 -3,-0.2 0.782 70.2 127.9 84.5 25.3 -2.5 1.6 13.5 85 95 A W < - 0 0 9 -5,-1.1 -1,-0.3 -6,-0.3 -2,-0.2 -0.974 30.6-179.2-113.0 118.1 1.1 0.7 14.4 86 96 A D + 0 0 117 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.339 53.9 85.6-102.3 5.9 1.3 -2.2 16.9 87 97 A R S S- 0 0 72 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.347 95.2 -53.7 -95.8 178.0 5.1 -2.4 17.3 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.187 50.1-161.9 -57.8 148.0 7.2 -0.4 19.8 89 99 A I E -f 57 0B 0 -33,-0.2 52,-2.1 49,-0.2 51,-2.0 -0.999 5.6-155.5-127.2 130.5 7.0 3.4 19.8 90 100 A L E -fg 58 141B 0 -33,-2.6 -31,-2.8 -2,-0.4 2,-0.4 -0.911 13.1-158.3 -97.4 133.2 9.6 5.7 21.3 91 101 A T E -fg 59 142B 0 50,-2.6 52,-0.8 -2,-0.5 -31,-0.2 -0.939 9.9-136.2-110.3 135.7 8.2 9.1 22.3 92 102 A D - 0 0 12 -33,-1.8 -31,-0.3 -2,-0.4 51,-0.1 -0.310 28.8-110.6 -74.0 174.3 10.5 12.1 22.8 93 103 A S - 0 0 5 51,-0.3 40,-0.1 -32,-0.1 41,-0.1 0.705 38.7-121.0 -88.6 -17.9 9.8 14.3 25.8 94 104 A G S > S+ 0 0 0 -33,-0.1 4,-1.0 31,-0.0 51,-0.1 0.286 84.0 108.9 101.1 -7.8 8.4 17.3 23.9 95 105 A G H >> + 0 0 10 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.916 69.5 55.2 -69.1 -47.9 11.0 19.7 25.3 96 106 A F H 3> S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.5 48.0 -53.7 -44.0 13.1 20.2 22.1 97 107 A Q H 3>>S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 5,-0.8 0.739 101.8 62.0 -75.5 -23.3 10.1 21.3 20.1 98 108 A V H - 0 0 13 -2,-0.3 4,-3.0 -15,-0.3 5,-0.3 -0.838 60.0 -92.6-138.3 170.7 7.4 19.6 33.2 127 137 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.954 127.9 45.0 -52.4 -48.1 9.2 16.3 34.0 128 138 A E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.886 115.6 45.0 -63.1 -43.8 6.1 15.0 35.6 129 139 A R H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.876 112.1 52.6 -73.0 -35.5 3.7 16.2 32.9 130 140 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.927 111.1 46.5 -61.7 -46.2 5.9 15.0 30.1 131 141 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.900 112.7 51.3 -63.4 -38.5 6.1 11.5 31.7 132 142 A E H X S+ 0 0 69 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 109.1 49.2 -64.4 -45.6 2.3 11.6 32.1 133 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.922 109.4 52.1 -59.3 -44.4 1.6 12.5 28.5 134 144 A Q H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-1.0 0.894 110.2 49.7 -62.3 -35.9 3.9 9.8 27.3 135 145 A H H ><5S+ 0 0 43 -4,-2.0 3,-0.7 2,-0.2 -1,-0.2 0.932 107.9 52.6 -65.0 -44.0 1.9 7.4 29.5 136 146 A L H 3<5S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 109.5 50.0 -61.6 -32.8 -1.4 8.6 28.1 137 147 A L H 3<5S- 0 0 0 -4,-2.1 -58,-2.7 -5,-0.2 -57,-0.5 0.738 111.7-126.2 -74.4 -23.5 0.0 8.0 24.6 138 148 A G T <<5 - 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0 0 89 -4,-2.7 -12,-0.3 -5,-0.2 2,-0.2 -0.884 63.0-129.3-124.4 151.2 8.8 3.2 -11.0 317 327 A S > - 0 0 22 -2,-0.3 4,-2.1 -14,-0.1 5,-0.2 -0.498 26.9-115.5 -89.6 158.6 11.4 5.2 -12.9 318 328 A R H > S+ 0 0 35 -16,-2.7 4,-3.1 -18,-0.3 5,-0.2 0.872 116.9 59.9 -50.9 -42.0 13.2 8.4 -11.9 319 329 A A H > S+ 0 0 17 -19,-2.3 4,-2.0 -17,-0.2 -1,-0.2 0.885 106.1 45.0 -57.9 -45.0 11.4 10.0 -14.8 320 330 A Y H > S+ 0 0 85 -20,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 115.3 46.2 -66.1 -45.5 8.0 9.3 -13.4 321 331 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.900 109.6 55.2 -68.2 -38.1 8.9 10.4 -9.8 322 332 A H H X S+ 0 0 16 -4,-3.1 4,-2.5 -25,-0.2 -1,-0.2 0.932 110.1 48.0 -52.4 -49.4 10.6 13.5 -11.2 323 333 A H H X S+ 0 0 108 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 111.3 49.0 -58.3 -49.5 7.3 14.3 -12.9 324 334 A L H <>S+ 0 0 7 -4,-2.6 5,-2.8 2,-0.2 4,-0.4 0.904 113.8 45.0 -59.9 -44.9 5.2 13.7 -9.7 325 335 A I H ><5S+ 0 0 8 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.920 113.5 49.7 -70.2 -42.6 7.4 15.9 -7.6 326 336 A R H 3<5S+ 0 0 146 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.876 112.3 49.0 -58.4 -37.5 7.5 18.7 -10.1 327 337 A A T 3<5S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.490 112.4-121.1 -80.3 -6.0 3.8 18.5 -10.4 328 338 A G T < 5 + 0 0 70 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.785 52.6 168.1 67.4 29.3 3.3 18.6 -6.6 329 339 A E >>< - 0 0 109 -5,-2.8 4,-1.2 -6,-0.2 3,-0.7 -0.520 43.0-134.1 -80.2 141.1 1.5 15.2 -6.6 330 340 A I H 3> S+ 0 0 130 1,-0.2 4,-2.4 -2,-0.2 3,-0.3 0.881 106.2 61.4 -58.5 -40.5 0.9 13.4 -3.4 331 341 A L H 3> S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.852 98.1 60.6 -57.9 -30.5 2.1 10.1 -5.0 332 342 A G H <> S+ 0 0 0 -3,-0.7 4,-2.4 -8,-0.2 5,-0.3 0.949 106.9 43.2 -60.1 -48.5 5.5 11.8 -5.4 333 343 A A H X S+ 0 0 20 -4,-1.2 4,-2.4 -3,-0.3 5,-0.3 0.920 113.2 53.8 -62.3 -43.4 5.8 12.3 -1.7 334 344 A M H X S+ 0 0 74 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 113.4 40.9 -55.9 -48.9 4.6 8.8 -1.0 335 345 A L H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.911 115.0 49.1 -73.6 -41.3 7.1 7.2 -3.3 336 346 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.915 113.7 47.5 -62.4 -42.3 10.1 9.3 -2.3 337 347 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.938 111.3 49.7 -67.5 -44.4 9.4 8.8 1.4 338 348 A E H X S+ 0 0 36 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.936 114.2 45.9 -59.4 -46.6 9.0 5.0 1.0 339 349 A H H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.919 113.4 48.3 -60.7 -46.2 12.2 4.8 -0.9 340 350 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 113.4 46.4 -66.7 -43.3 14.2 7.0 1.5 341 351 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.892 113.2 49.7 -63.5 -39.7 13.0 5.2 4.6 342 352 A A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.873 108.2 54.3 -67.1 -36.0 13.7 1.8 2.9 343 353 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.954 108.3 49.2 -59.3 -48.1 17.2 3.1 2.0 344 354 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 111.1 49.0 -59.8 -41.4 17.8 3.9 5.7 345 355 A Q H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.888 110.2 51.2 -66.2 -38.3 16.6 0.5 6.8 346 356 A Q H X S+ 0 0 42 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.886 108.9 52.0 -63.7 -36.8 18.9 -1.2 4.2 347 357 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.937 110.7 47.5 -62.0 -47.1 21.8 0.9 5.5 348 358 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.890 110.9 51.6 -65.2 -39.9 21.0 -0.3 9.0 349 359 A Q H X S+ 0 0 61 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.910 110.0 48.6 -60.3 -42.9 20.8 -3.9 7.9 350 360 A K H X S+ 0 0 80 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.867 112.3 50.2 -64.6 -37.5 24.2 -3.6 6.1 351 361 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.943 112.4 46.0 -65.5 -47.7 25.6 -2.1 9.3 352 362 A R H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 115.1 46.4 -63.2 -43.2 24.2 -4.9 11.5 353 363 A D H X S+ 0 0 64 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.905 111.9 51.0 -67.5 -41.8 25.4 -7.6 9.1 354 364 A S H <>S+ 0 0 0 -4,-2.4 5,-3.0 -5,-0.2 6,-0.6 0.908 112.0 46.2 -64.5 -41.2 28.9 -6.1 8.8 355 365 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.7 4,-0.2 -2,-0.2 0.952 111.2 52.7 -63.0 -47.0 29.3 -5.9 12.6 356 366 A S H 3<5S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.4 43.5 -57.0 -31.4 28.0 -9.4 13.0 357 367 A E T 3<5S- 0 0 126 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.334 113.3-117.3 -99.5 4.6 30.6 -10.6 10.5 358 368 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.790 90.0 102.0 68.0 28.9 33.5 -8.5 11.8 359 369 A R >< + 0 0 105 -5,-3.0 4,-2.0 -6,-0.2 -4,-0.2 -0.047 34.7 115.5-132.4 31.5 33.8 -6.4 8.7 360 370 A F H > S+ 0 0 5 -6,-0.6 4,-3.1 2,-0.2 5,-0.2 0.881 74.8 56.4 -69.7 -38.0 32.1 -3.2 9.7 361 371 A S H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 110.2 45.5 -61.5 -42.8 35.3 -1.1 9.4 362 372 A Q H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 111.6 52.7 -63.1 -43.4 35.6 -2.3 5.8 363 373 A F H X S+ 0 0 25 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.933 108.2 50.7 -58.1 -46.0 31.9 -1.6 5.2 364 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.931 112.8 46.3 -56.4 -46.8 32.3 2.0 6.5 365 375 A Q H X S+ 0 0 121 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 115.3 45.4 -62.8 -44.2 35.3 2.6 4.2 366 376 A D H X S+ 0 0 86 -4,-2.8 4,-1.6 2,-0.2 5,-0.2 0.893 111.6 53.1 -67.5 -41.4 33.6 1.1 1.2 367 377 A F H X S+ 0 0 8 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.932 111.6 45.4 -58.4 -47.6 30.4 3.0 1.9 368 378 A R H X S+ 0 0 68 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.899 107.6 56.6 -66.2 -41.7 32.3 6.3 2.1 369 379 A A H < S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 118.5 33.3 -56.8 -38.6 34.3 5.8 -1.0 370 380 A R H >< S+ 0 0 78 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.894 115.6 52.9 -87.5 -42.8 31.2 5.2 -3.1 371 381 A Y H 3< S+ 0 0 18 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.824 121.8 33.4 -63.3 -33.1 28.7 7.6 -1.4 372 382 A F T 3< 0 0 117 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.161 360.0 360.0-109.7 15.9 31.2 10.5 -1.7 373 383 A A < 0 0 115 -3,-1.1 -3,-0.1 -5,-0.0 -4,-0.1 -0.196 360.0 360.0 -52.4 360.0 32.7 9.4 -5.0