==== 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 09-AUG-12 4GIY . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR F.IMMEKUS,G.KLEBE . 344 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.7 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 . 3 0.9 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 4 2 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 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 2 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 . 2 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 0 166 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 165.1 -8.6 -10.1 -26.8 2 12 A P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 158,-0.0 -0.397 360.0-105.2 -76.8 166.9 -10.0 -8.0 -29.6 3 13 A R S S- 0 0 70 1,-0.2 20,-0.4 19,-0.2 2,-0.3 0.944 101.6 -11.2 -47.1 -51.8 -9.2 -4.3 -30.2 4 14 A F + 0 0 30 18,-0.2 2,-0.3 19,-0.1 -1,-0.2 -0.918 65.1 160.7-161.3 128.9 -12.7 -3.6 -29.0 5 15 A S E -A 21 0A 49 16,-1.6 16,-3.5 -2,-0.3 2,-0.5 -0.958 16.2-161.2-149.3 135.7 -15.9 -5.4 -28.2 6 16 A F E +A 20 0A 31 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.980 12.5 179.7-117.7 123.8 -18.8 -4.3 -26.1 7 17 A S E -A 19 0A 59 12,-2.5 12,-2.9 -2,-0.5 2,-0.6 -0.994 19.2-146.3-129.5 133.6 -21.2 -6.9 -24.7 8 18 A I E +A 18 0A 65 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.809 15.1 180.0 -95.8 119.9 -24.3 -6.3 -22.6 9 19 A A E + 0 0 81 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.777 65.1 5.5 -95.1 -24.6 -24.9 -9.1 -20.1 10 20 A A E -A 17 0A 25 7,-1.8 7,-2.3 2,-0.0 2,-0.3 -0.995 59.3-156.8-158.5 152.8 -28.0 -7.8 -18.4 11 21 A R E -A 16 0A 69 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.939 9.7-177.0-131.9 152.9 -30.5 -4.9 -18.5 12 22 A E E > S-A 15 0A 39 3,-2.5 3,-2.0 -2,-0.3 2,-0.2 -0.783 71.3 -52.2-149.4 106.6 -33.0 -3.2 -16.2 13 23 A G T 3 S- 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 226,-0.1 -0.522 123.4 -21.9 59.8-126.6 -35.1 -0.5 -17.8 14 24 A K T 3 S+ 0 0 93 224,-0.6 -1,-0.3 -2,-0.2 225,-0.1 0.620 119.2 102.5 -83.6 -16.0 -32.6 1.7 -19.5 15 25 A A E < -A 12 0A 0 -3,-2.0 -3,-2.5 223,-0.2 2,-0.3 -0.381 50.8-174.4 -75.2 146.0 -29.8 0.6 -17.3 16 26 A R E -A 11 0A 11 225,-0.3 2,-0.4 221,-0.2 -5,-0.2 -0.969 13.3-165.8-135.9 154.7 -27.2 -1.9 -18.6 17 27 A T E +A 10 0A 7 -7,-2.3 -8,-2.2 -2,-0.3 -7,-1.8 -0.998 35.1 104.2-137.8 142.2 -24.3 -3.9 -17.3 18 28 A G E -AB 8 29A 6 11,-1.7 11,-3.0 -2,-0.4 2,-0.4 -0.875 54.2 -70.9-179.5-149.1 -21.7 -5.7 -19.3 19 29 A T E -AB 7 28A 49 -12,-2.9 -12,-2.5 -2,-0.3 2,-0.5 -0.997 12.0-149.6-144.0 142.0 -18.1 -5.6 -20.5 20 30 A I E -AB 6 27A 0 7,-3.3 7,-2.8 -2,-0.4 2,-0.5 -0.926 22.5-157.9-100.4 126.8 -15.8 -3.9 -22.8 21 31 A E E +AB 5 26A 13 -16,-3.5 -16,-1.6 -2,-0.5 2,-0.3 -0.908 20.1 161.2-106.8 133.0 -12.9 -6.1 -24.1 22 32 A M E > - B 0 25A 1 3,-2.1 3,-1.3 -2,-0.5 -19,-0.2 -0.885 53.2 -96.3-136.6 169.9 -9.7 -4.5 -25.4 23 33 A K T 3 S+ 0 0 103 -20,-0.4 -20,-0.1 137,-0.3 3,-0.1 0.863 122.7 46.6 -61.2 -34.9 -6.2 -5.9 -25.9 24 34 A R T 3 S- 0 0 112 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.574 125.6 -62.0 -87.5 -3.7 -4.9 -4.6 -22.6 25 35 A G E < -B 22 0A 10 -3,-1.3 -3,-2.1 47,-0.2 2,-0.4 -0.931 55.9 -61.2 153.8 179.4 -7.9 -5.8 -20.6 26 36 A V E -B 21 0A 60 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.826 31.1-156.3-105.5 139.6 -11.5 -6.0 -19.7 27 37 A I E -B 20 0A 2 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.3 -0.972 12.2-144.0-116.6 117.5 -13.6 -3.1 -18.5 28 38 A R E -B 19 0A 95 -2,-0.5 -9,-0.2 -9,-0.2 12,-0.1 -0.622 32.7-104.8 -80.8 132.0 -16.8 -3.9 -16.5 29 39 A T E S+B 18 0A 0 -11,-3.0 -11,-1.7 -2,-0.3 2,-0.2 -0.898 99.9 44.2-117.7 149.1 -19.7 -1.6 -17.0 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 213,-0.2 0.474 91.7-175.1 -62.1 140.5 -21.0 0.6 -15.7 31 41 A A E -c 243 0B 4 211,-2.1 213,-1.8 -2,-0.2 2,-0.5 -0.920 29.2-149.6-120.8 137.4 -17.5 1.8 -15.0 32 42 A F E -c 244 0B 2 -2,-0.4 8,-0.3 211,-0.2 9,-0.3 -0.956 17.5-158.9-101.1 128.4 -16.0 4.7 -13.0 33 43 A M - 0 0 1 211,-2.5 213,-0.4 -2,-0.5 9,-0.2 -0.900 10.0-160.5-115.3 94.5 -12.7 5.8 -14.6 34 44 A P - 0 0 12 0, 0.0 9,-2.4 0, 0.0 2,-0.2 -0.331 29.2 -98.3 -76.1 159.6 -10.4 7.6 -12.1 35 45 A V B -d 43 0B 44 211,-0.3 9,-0.2 7,-0.2 10,-0.0 -0.541 32.4-137.7 -70.6 138.4 -7.6 9.9 -13.0 36 46 A G 0 0 33 7,-2.2 -1,-0.1 -2,-0.2 8,-0.1 0.602 360.0 360.0 -81.8 -7.4 -4.4 7.9 -12.7 37 47 A T 0 0 146 6,-0.3 6,-0.1 0, 0.0 -2,-0.1 -0.420 360.0 360.0 -89.8 360.0 -2.3 10.5 -10.9 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 64 A A 0 0 53 0, 0.0 3,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 144.9 -10.4 0.3 -11.5 40 65 A D + 0 0 36 -8,-0.3 2,-0.3 1,-0.3 -7,-0.1 0.573 360.0 17.3 -99.6 -16.1 -10.3 -1.4 -14.9 41 66 A I - 0 0 1 -9,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.958 67.9-155.9-156.0 142.4 -9.3 1.8 -16.8 42 67 A I E - e 0 74B 8 31,-1.4 33,-2.4 -2,-0.3 2,-0.5 -0.816 21.0-114.7-119.9 162.2 -7.7 5.1 -15.7 43 68 A L E -de 35 75B 12 -9,-2.4 -7,-2.2 -2,-0.3 -6,-0.3 -0.858 19.7-152.2 -98.8 130.5 -7.7 8.5 -17.3 44 69 A G E - e 0 76B 8 31,-2.6 2,-0.8 -2,-0.5 33,-0.5 -0.519 24.0-118.2 -86.6 163.9 -4.5 10.2 -18.6 45 70 A N > + 0 0 52 1,-0.2 4,-3.1 -2,-0.2 5,-0.3 -0.765 31.0 179.6-112.7 84.1 -4.4 14.0 -18.7 46 71 A T H > S+ 0 0 3 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.887 79.3 49.7 -51.4 -48.8 -4.0 15.1 -22.3 47 72 A Y H > S+ 0 0 35 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.926 116.2 41.8 -60.8 -45.9 -3.9 18.8 -21.7 48 73 A H H >> S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 3,-1.1 0.951 115.0 49.4 -66.3 -45.8 -1.3 18.6 -19.0 49 74 A L H 3<>S+ 0 0 15 -4,-3.1 5,-2.2 1,-0.3 -1,-0.2 0.829 103.0 59.7 -66.1 -32.9 0.9 16.0 -20.7 50 75 A M H 3<5S+ 0 0 36 -4,-2.5 5,-0.4 -5,-0.3 -1,-0.3 0.757 116.7 34.9 -69.2 -20.3 1.0 17.9 -24.0 51 76 A L H <<5S+ 0 0 98 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.793 115.8 59.5 -95.2 -42.1 2.6 20.8 -22.1 52 77 A R T <5S- 0 0 49 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.1 -0.903 133.5 -15.2-140.2 113.8 4.7 18.8 -19.6 53 78 A P T 5S- 0 0 65 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 -0.979 106.2-116.5 -90.3 2.9 6.8 16.9 -20.5 54 79 A G >< - 0 0 15 -5,-2.2 4,-2.1 -6,-0.2 -4,-0.2 -0.018 21.6 -97.6 108.7 144.4 5.2 17.0 -24.0 55 80 A A H > S+ 0 0 2 -5,-0.4 4,-2.3 1,-0.2 5,-0.1 0.877 122.4 54.3 -62.7 -40.7 3.6 14.2 -26.0 56 81 A E H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.1 49.2 -60.7 -40.6 6.8 13.5 -28.0 57 82 A R H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 107.2 53.2 -68.0 -41.1 8.7 13.1 -24.7 58 83 A I H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 -1,-0.2 0.926 111.2 48.7 -57.8 -42.0 6.2 10.7 -23.2 59 84 A A H ><5S+ 0 0 38 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.928 108.4 52.0 -60.3 -46.7 6.6 8.7 -26.4 60 85 A K H 3<5S+ 0 0 179 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.847 108.3 53.9 -54.6 -38.6 10.4 8.8 -26.1 61 86 A L T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.385 132.5 -92.4 -82.4 5.1 9.9 7.6 -22.5 62 87 A G T <>5 - 0 0 53 -3,-1.9 4,-0.5 -5,-0.1 -3,-0.2 0.553 68.0 -72.0 103.6 6.2 7.8 4.6 -23.8 63 88 A G H >< - 0 0 10 -5,-2.8 4,-2.1 -6,-0.2 50,-0.2 -0.032 61.6 -69.2 91.5 163.4 4.2 5.8 -23.7 64 89 A L H > S+ 0 0 1 48,-2.7 4,-2.8 2,-0.2 6,-0.3 0.793 126.0 61.1 -61.5 -34.2 1.9 6.5 -20.8 65 90 A H H >>S+ 0 0 13 47,-0.3 5,-2.3 1,-0.2 4,-1.0 0.976 112.9 37.4 -57.6 -52.6 1.5 2.8 -19.8 66 91 A S H <5S+ 0 0 83 -4,-0.5 3,-0.2 3,-0.2 -2,-0.2 0.865 116.6 54.1 -62.4 -42.2 5.2 2.6 -19.1 67 92 A F H <5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.913 119.2 31.5 -62.3 -44.9 5.4 6.1 -17.6 68 93 A M H <5S- 0 0 56 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.483 106.6-121.0 -96.1 -1.7 2.6 5.6 -15.1 69 94 A G T <5 + 0 0 70 -4,-1.0 2,-0.4 -3,-0.2 -3,-0.2 0.891 69.9 131.4 59.6 46.9 3.3 1.9 -14.5 70 95 A W < - 0 0 71 -5,-2.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.975 33.4-179.9-128.4 112.3 -0.2 0.9 -15.6 71 96 A D + 0 0 131 -2,-0.4 3,-0.1 -3,-0.1 -6,-0.1 0.378 58.8 84.9 -98.8 6.3 -0.5 -1.9 -18.1 72 97 A R S S- 0 0 18 1,-0.2 -47,-0.2 -7,-0.1 -31,-0.1 -0.332 95.5 -55.2 -95.2 176.2 -4.3 -1.9 -18.4 73 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.198 49.6-162.1 -56.7 150.1 -6.5 0.4 -20.6 74 99 A I E -e 42 0B 0 -33,-0.2 42,-2.3 39,-0.1 41,-1.9 -0.998 3.9-153.8-131.1 132.5 -6.1 4.2 -20.5 75 100 A L E -ef 43 116B 0 -33,-2.4 -31,-2.6 -2,-0.4 2,-0.4 -0.875 9.2-166.4-103.4 140.3 -8.6 6.7 -21.7 76 101 A T E -ef 44 117B 0 40,-2.3 42,-1.0 -2,-0.4 2,-0.1 -0.987 14.6-136.0-122.9 139.1 -7.5 10.2 -22.8 77 102 A D - 0 0 31 -33,-0.5 -31,-0.1 -2,-0.4 43,-0.1 -0.402 29.1-112.6 -78.0 169.8 -9.7 13.2 -23.5 78 103 A S - 0 0 0 41,-0.3 30,-0.1 -2,-0.1 42,-0.1 0.529 42.6-123.8 -91.0 -7.0 -9.1 15.3 -26.6 79 104 A G S > S+ 0 0 1 1,-0.0 4,-2.1 41,-0.0 5,-0.1 0.072 83.5 100.4 98.7 -21.2 -7.9 18.3 -24.6 80 105 A G H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.853 78.2 58.9 -72.9 -34.2 -10.2 21.1 -25.8 81 106 A Y H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.947 112.7 41.0 -50.5 -53.8 -12.5 21.0 -22.8 82 107 A Q H >>S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 5,-0.7 0.841 112.3 54.3 -71.5 -31.8 -9.5 21.7 -20.6 83 108 A V H X5S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.953 110.3 47.4 -62.2 -49.4 -8.0 24.3 -23.0 84 109 A M H <5S+ 0 0 114 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 123.0 33.9 -63.7 -26.7 -11.2 26.2 -23.0 85 110 A S H <5S+ 0 0 79 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.666 132.9 23.8-107.5 -12.5 -11.5 26.1 -19.2 86 111 A L H <5 0 0 59 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.580 360.0 360.0-122.5 -27.4 -7.8 26.2 -18.1 87 112 A S << 0 0 59 -4,-1.9 -4,-0.0 -5,-0.7 0, 0.0 -0.475 360.0 360.0 -70.1 360.0 -5.8 27.9 -20.9 88 ! 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 89 115 A T 0 0 87 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 124.5 -7.7 31.1 -26.5 90 116 A K E -K 97 0C 59 7,-3.6 7,-3.2 2,-0.0 2,-0.3 -0.989 360.0-151.8-130.0 128.8 -8.6 31.8 -30.1 91 117 A Q E +K 96 0C 74 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.692 21.0 158.7-101.7 154.5 -10.9 29.6 -32.1 92 118 A S - 0 0 52 3,-1.8 3,-0.4 -2,-0.3 -2,-0.0 -0.917 57.6 -97.3-153.1 167.8 -11.1 28.8 -35.8 93 119 A E S S+ 0 0 68 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.770 125.2 59.3 -57.6 -26.5 -12.6 26.1 -38.0 94 120 A E S S- 0 0 57 1,-0.2 2,-0.3 7,-0.1 -1,-0.2 0.885 120.6 -92.2 -70.4 -40.5 -9.0 24.7 -37.9 95 121 A G - 0 0 6 -3,-0.4 -3,-1.8 6,-0.2 2,-0.5 -0.977 54.8 -39.4 160.9-151.7 -8.9 24.4 -34.2 96 122 A V E -K 91 0C 13 4,-3.8 2,-0.4 -2,-0.3 -5,-0.2 -0.946 36.1-162.0-118.6 128.6 -7.9 26.2 -31.1 97 123 A T E K 90 0C 62 -7,-3.2 -7,-3.6 -2,-0.5 -2,-0.0 -0.882 360.0 360.0-100.7 138.7 -4.9 28.4 -30.5 98 124 A F 0 0 99 -2,-0.4 -14,-0.0 -9,-0.2 -2,-0.0 -0.995 360.0 360.0-153.3 360.0 -3.9 29.1 -27.0 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 0.0 100 135 A L 0 0 31 0, 0.0 -4,-3.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 114.2 -4.8 22.2 -31.0 101 136 A S > - 0 0 28 -6,-0.3 4,-2.7 1,-0.0 5,-0.2 -0.787 360.0 -92.7-127.8 169.3 -6.9 20.8 -33.9 102 137 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 125.9 47.9 -49.5 -46.1 -8.6 17.4 -34.4 103 138 A E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 114.4 44.2 -66.4 -43.4 -5.5 16.0 -36.2 104 139 A R H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.876 112.0 54.4 -68.6 -37.3 -3.0 17.2 -33.5 105 140 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.951 110.6 44.9 -61.2 -46.7 -5.3 16.0 -30.8 106 141 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.9 51.8 -65.5 -39.9 -5.4 12.6 -32.3 107 142 A E H X S+ 0 0 95 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.920 109.3 49.5 -60.1 -46.4 -1.7 12.6 -32.8 108 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.948 110.7 49.7 -60.1 -43.7 -1.0 13.6 -29.2 109 144 A Q H X>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 4,-0.7 0.876 110.8 50.9 -66.6 -33.7 -3.3 10.8 -28.0 110 145 A H H ><5S+ 0 0 72 -4,-2.3 3,-0.9 2,-0.2 -1,-0.2 0.935 109.1 50.2 -62.8 -47.6 -1.4 8.4 -30.3 111 146 A L H 3<5S+ 0 0 44 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.841 109.8 50.5 -61.0 -38.6 1.9 9.6 -28.9 112 147 A L H 3<5S- 0 0 0 -4,-2.4 -48,-2.7 -5,-0.2 -47,-0.3 0.700 108.6-133.0 -68.8 -19.7 0.7 9.1 -25.3 113 148 A G T <<5 + 0 0 32 -3,-0.9 -3,-0.2 -4,-0.7 -39,-0.1 0.762 38.1 174.1 72.0 32.8 -0.5 5.6 -26.4 114 149 A S < - 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0 0 105 -4,-2.6 -12,-0.5 -5,-0.2 -1,-0.1 -0.851 60.4-132.4-122.5 148.5 -8.1 4.0 10.7 292 327 A S B > -M 278 0E 24 -2,-0.3 4,-2.2 -14,-0.2 3,-0.4 -0.400 30.0-110.1 -89.9 164.1 -10.9 6.0 12.3 293 328 A R H > S+ 0 0 28 -16,-3.0 4,-2.8 1,-0.2 5,-0.2 0.897 117.0 62.1 -53.3 -38.6 -12.4 9.4 11.4 294 329 A A H > S+ 0 0 17 -19,-2.3 4,-2.0 -17,-0.3 -1,-0.2 0.900 106.7 41.8 -59.0 -40.4 -10.7 10.8 14.5 295 330 A Y H > S+ 0 0 90 -3,-0.4 4,-2.6 -20,-0.2 -1,-0.2 0.924 114.5 49.5 -77.4 -41.3 -7.1 10.1 13.2 296 331 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 111.5 51.2 -65.7 -38.0 -7.8 11.1 9.6 297 332 A H H X S+ 0 0 18 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.934 110.0 50.9 -51.9 -50.8 -9.3 14.3 11.1 298 333 A H H X S+ 0 0 120 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.918 110.4 47.7 -57.9 -46.9 -6.1 14.8 13.1 299 334 A L H <>S+ 0 0 12 -4,-2.6 5,-2.8 1,-0.2 4,-0.3 0.911 113.5 45.9 -64.1 -44.5 -3.8 14.3 10.1 300 335 A I H ><5S+ 0 0 17 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.910 111.1 51.6 -69.6 -40.6 -5.7 16.7 7.9 301 336 A R H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.9 53.2 -63.7 -27.3 -6.0 19.4 10.5 302 337 A A T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.503 117.7-113.8 -83.8 -3.2 -2.2 19.1 11.1 303 338 A G T < 5 + 0 0 67 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.665 59.0 162.2 78.1 16.9 -1.5 19.6 7.4 304 339 A E >>< - 0 0 111 -5,-2.8 3,-1.2 -6,-0.2 4,-1.0 -0.580 39.6-145.8 -75.0 126.8 -0.2 16.0 7.0 305 340 A I H 3> S+ 0 0 73 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.809 97.1 68.3 -59.5 -32.5 -0.1 14.8 3.5 306 341 A L H 3> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.881 94.4 56.1 -53.9 -38.7 -0.9 11.3 4.7 307 342 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.944 108.7 44.9 -65.3 -44.6 -4.4 12.5 5.7 308 343 A A H X S+ 0 0 27 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.881 112.7 52.1 -68.5 -33.6 -5.3 13.7 2.2 309 344 A M H X S+ 0 0 122 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.907 110.7 47.9 -66.7 -40.3 -3.8 10.6 0.7 310 345 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 112.6 48.4 -68.2 -41.6 -6.0 8.4 3.0 311 346 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 -58,-0.2 -1,-0.2 0.885 112.1 49.9 -60.7 -40.5 -9.0 10.5 2.2 312 347 A T H X S+ 0 0 29 -4,-2.2 4,-2.5 -59,-0.3 5,-0.2 0.951 110.2 48.8 -66.3 -47.5 -8.3 10.2 -1.6 313 348 A E H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.917 111.4 51.0 -57.4 -45.8 -7.8 6.4 -1.5 314 349 A H H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.934 110.4 47.9 -58.0 -46.7 -11.1 6.1 0.4 315 350 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 111.4 50.3 -64.7 -41.1 -13.0 8.2 -2.1 316 351 A I H X S+ 0 0 48 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.890 114.3 45.3 -59.5 -44.2 -11.6 6.3 -5.1 317 352 A A H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.878 109.3 54.9 -69.2 -38.8 -12.5 3.0 -3.4 318 353 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.930 108.0 50.2 -59.3 -47.5 -16.0 4.3 -2.4 319 354 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.889 111.1 47.9 -60.4 -42.3 -16.6 5.1 -6.1 320 355 A Q H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.874 110.3 52.0 -70.3 -32.1 -15.6 1.6 -7.2 321 356 A Q H X S+ 0 0 49 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 108.5 52.3 -64.4 -40.5 -17.7 0.0 -4.5 322 357 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.945 110.4 47.0 -59.3 -49.5 -20.7 2.1 -5.8 323 358 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.923 111.1 51.3 -64.9 -38.4 -20.1 0.9 -9.3 324 359 A Q H X S+ 0 0 63 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.936 110.8 48.8 -63.0 -42.7 -19.8 -2.7 -8.2 325 360 A K H X S+ 0 0 30 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.907 111.8 49.7 -63.8 -38.7 -23.1 -2.4 -6.3 326 361 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.946 112.4 47.8 -62.3 -45.5 -24.7 -0.9 -9.4 327 362 A R H X S+ 0 0 13 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.941 112.9 46.5 -62.8 -48.0 -23.3 -3.7 -11.6 328 363 A D H X S+ 0 0 62 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.920 112.9 49.7 -62.3 -41.7 -24.5 -6.5 -9.3 329 364 A S H X>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.3 6,-0.7 0.918 111.5 47.6 -68.8 -39.4 -27.9 -5.0 -8.8 330 365 A I H ><5S+ 0 0 1 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.969 112.8 49.8 -62.3 -45.0 -28.5 -4.6 -12.5 331 366 A S H 3<5S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.867 114.5 45.2 -57.7 -36.7 -27.3 -8.1 -13.1 332 367 A E H 3<5S- 0 0 119 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.426 114.0-115.7 -89.6 0.4 -29.7 -9.3 -10.4 333 368 A G T <<5S+ 0 0 48 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.755 90.3 102.3 72.1 24.9 -32.6 -7.3 -11.6 334 369 A R >< + 0 0 104 -5,-2.8 4,-2.3 -6,-0.2 -4,-0.2 0.101 35.1 115.2-127.6 27.9 -32.8 -5.2 -8.5 335 370 A F H > S+ 0 0 6 -6,-0.7 4,-3.0 1,-0.2 5,-0.2 0.904 74.3 55.1 -65.9 -39.5 -31.2 -1.9 -9.6 336 371 A S H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 110.2 47.0 -65.2 -34.6 -34.4 0.1 -9.3 337 372 A Q H > S+ 0 0 47 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.932 112.1 50.2 -68.2 -43.2 -34.7 -0.9 -5.6 338 373 A F H X S+ 0 0 31 -4,-2.3 4,-4.1 2,-0.2 5,-0.3 0.931 108.5 53.1 -55.5 -46.7 -31.0 -0.2 -5.0 339 374 A A H X S+ 0 0 7 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.934 113.1 42.6 -55.8 -48.8 -31.4 3.2 -6.6 340 375 A Q H X S+ 0 0 60 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.927 116.7 46.6 -65.5 -50.4 -34.3 4.1 -4.3 341 376 A D H X S+ 0 0 113 -4,-3.2 4,-1.9 1,-0.2 5,-0.3 0.932 112.1 53.0 -57.8 -44.3 -32.6 2.6 -1.2 342 377 A F H X S+ 0 0 11 -4,-4.1 4,-3.0 -5,-0.3 5,-0.3 0.949 112.0 43.4 -55.5 -51.1 -29.4 4.4 -2.2 343 378 A R H X S+ 0 0 35 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.910 108.5 58.5 -66.7 -36.6 -31.1 7.8 -2.4 344 379 A A H < S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 117.4 33.0 -58.5 -40.8 -33.1 7.3 0.8 345 380 A R H < S+ 0 0 127 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.3 55.1 -85.6 -37.7 -30.0 6.9 2.8 346 381 A Y H < 0 0 14 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.867 360.0 360.0 -64.6 -38.6 -27.6 9.2 0.9 347 382 A F < 0 0 150 -4,-2.2 -84,-0.0 -5,-0.3 0, 0.0 -0.473 360.0 360.0 -87.7 360.0 -29.8 12.2 1.2