==== 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 08-AUG-12 4GHR . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR F.IMMEKUS,G.KLEBE . 354 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13852.0 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 . 31 8.8 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 . 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 . 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 . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 37.6 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 3 2 0 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 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 0 106 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 126.3 8.7 -10.3 26.4 2 12 A P - 0 0 59 0, 0.0 3,-0.2 0, 0.0 167,-0.0 -0.373 360.0-105.7 -86.5 171.9 10.0 -8.1 29.1 3 13 A R S S- 0 0 69 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.912 101.5 -10.2 -55.9 -50.6 9.5 -4.4 29.7 4 14 A F + 0 0 28 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.911 64.3 166.2-158.9 126.6 13.1 -3.7 28.5 5 15 A S E -A 21 0A 56 16,-1.7 16,-2.6 -2,-0.3 2,-0.6 -0.953 12.8-165.7-140.6 122.6 16.1 -5.8 27.7 6 16 A F E +A 20 0A 31 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.940 12.5 178.7-112.2 122.1 19.2 -4.7 25.8 7 17 A S E -A 19 0A 56 12,-2.7 12,-2.6 -2,-0.6 2,-0.6 -0.977 19.6-146.3-126.2 127.3 21.5 -7.4 24.5 8 18 A I E +A 18 0A 51 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.839 16.1 178.1 -95.3 120.4 24.7 -6.9 22.6 9 19 A A E + 0 0 84 8,-1.9 2,-0.3 -2,-0.6 9,-0.2 0.749 65.2 0.7 -89.1 -33.1 25.4 -9.6 20.0 10 20 A A E -A 17 0A 27 7,-2.2 7,-3.0 2,-0.0 2,-0.3 -0.995 56.3-161.9-160.6 160.4 28.6 -8.2 18.5 11 21 A R E -A 16 0A 117 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.938 9.5-173.9-141.5 155.1 31.1 -5.5 18.6 12 22 A E E > S-A 15 0A 49 3,-2.2 3,-2.0 -2,-0.3 2,-0.2 -0.821 73.5 -48.7-153.3 105.1 33.8 -3.9 16.4 13 23 A G T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.3 235,-0.1 -0.461 125.0 -20.7 59.6-132.0 35.8 -1.2 18.1 14 24 A K T 3 S+ 0 0 91 233,-0.5 -1,-0.3 -2,-0.2 234,-0.1 0.679 118.5 102.8 -79.9 -16.1 33.2 1.1 19.7 15 25 A A E < -A 12 0A 0 -3,-2.0 -3,-2.2 232,-0.3 2,-0.3 -0.393 50.6-174.9 -72.4 146.3 30.5 -0.1 17.4 16 26 A R E -A 11 0A 3 234,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.973 14.0-164.8-136.9 149.5 27.9 -2.6 18.6 17 27 A T E +A 10 0A 10 -7,-3.0 -7,-2.2 -2,-0.3 -8,-1.9 -0.995 35.9 105.6-134.5 144.0 25.0 -4.5 17.2 18 28 A G E -AB 8 29A 5 11,-1.7 11,-2.7 -2,-0.3 2,-0.4 -0.893 53.8 -74.8-179.4-151.6 22.2 -6.2 19.2 19 29 A T E -AB 7 28A 51 -12,-2.6 -12,-2.7 -2,-0.3 2,-0.5 -0.995 11.2-150.0-144.3 145.5 18.6 -6.0 20.2 20 30 A I E -AB 6 27A 0 7,-2.7 7,-2.9 -2,-0.4 2,-0.5 -0.978 21.4-159.3-107.0 119.4 16.2 -4.2 22.5 21 31 A E E +AB 5 26A 23 -16,-2.6 -16,-1.7 -2,-0.5 2,-0.3 -0.889 19.6 163.4-100.7 131.7 13.2 -6.3 23.5 22 32 A M E > - B 0 25A 2 3,-2.0 3,-1.6 -2,-0.5 -19,-0.2 -0.881 53.1 -96.3-135.6 166.4 10.1 -4.6 24.8 23 33 A K T 3 S+ 0 0 95 -20,-0.5 -20,-0.1 146,-0.3 3,-0.1 0.894 123.2 47.8 -56.4 -39.7 6.5 -5.7 25.2 24 34 A R T 3 S- 0 0 106 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.475 125.2 -64.3 -85.2 4.0 5.5 -4.4 21.8 25 35 A G E < -B 22 0A 18 -3,-1.6 -3,-2.0 62,-0.2 2,-0.3 -0.855 57.0 -58.1 145.3 179.2 8.3 -5.9 19.9 26 36 A V E -B 21 0A 72 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.757 34.1-154.4-103.1 141.3 12.0 -6.2 19.2 27 37 A I E -B 20 0A 0 -7,-2.9 -7,-2.7 -2,-0.3 2,-0.5 -0.979 9.9-142.5-122.8 120.3 14.3 -3.5 18.0 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.682 32.7-114.6 -82.1 125.9 17.5 -4.2 16.0 29 39 A T E S+B 18 0A 0 -11,-2.7 -11,-1.7 -2,-0.5 2,-0.1 -0.866 99.3 50.0-112.6 146.0 20.3 -2.0 16.9 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 222,-0.2 0.458 93.1-178.5 -58.8 134.5 21.8 0.2 15.4 31 41 A A E -c 252 0B 3 220,-2.4 222,-1.9 -2,-0.1 2,-0.5 -0.887 27.9-151.7-117.1 142.2 18.3 1.4 14.7 32 42 A F E -c 253 0B 2 -2,-0.3 23,-0.3 220,-0.2 24,-0.3 -0.985 14.1-153.7-113.8 127.4 16.8 4.3 12.7 33 43 A M E -c 254 0B 0 220,-2.7 222,-0.7 -2,-0.5 24,-0.2 -0.900 12.2-136.7-102.7 108.3 13.5 5.6 13.9 34 44 A P E -c 255 0B 0 0, 0.0 24,-3.1 0, 0.0 2,-0.5 -0.357 30.5-116.0 -57.0 140.9 11.3 7.3 11.3 35 45 A V E -d 58 0B 9 220,-0.5 2,-0.8 22,-0.2 7,-0.4 -0.725 18.7-152.8 -92.2 131.9 9.8 10.4 12.8 36 46 A G E > -d 59 0B 1 22,-3.3 24,-2.5 -2,-0.5 2,-0.7 -0.877 9.5-168.3-105.4 95.4 6.1 10.7 13.2 37 47 A T T 3 S- 0 0 30 -2,-0.8 5,-0.1 3,-0.7 24,-0.1 -0.879 76.1 -4.8 -87.6 109.6 5.2 14.4 13.1 38 48 A A T 3 S- 0 0 47 -2,-0.7 -1,-0.2 22,-0.3 23,-0.1 0.868 130.5 -50.7 70.5 57.1 1.5 14.6 14.3 39 49 A A S < S+ 0 0 17 -3,-0.5 2,-0.3 21,-0.3 -1,-0.2 0.781 124.8 74.9 60.9 29.8 0.5 10.9 14.8 40 50 A T S S- 0 0 57 5,-0.0 2,-0.8 6,-0.0 -3,-0.7 -0.904 80.7-123.7-164.9 143.0 1.7 10.0 11.3 41 51 A V > - 0 0 5 3,-0.5 3,-2.3 -2,-0.3 -5,-0.2 -0.859 63.3 -98.3 -82.7 108.2 4.9 9.4 9.4 42 52 A K T 3 S- 0 0 82 -2,-0.8 3,-0.1 -7,-0.4 -1,-0.1 -0.054 95.9 -4.1 -47.5 125.1 4.3 11.9 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 278,-0.0 -1,-0.3 0.458 113.1 98.9 72.1 14.6 2.9 10.5 3.5 44 54 A L < - 0 0 17 -3,-2.3 -3,-0.5 277,-0.1 -1,-0.1 -0.983 67.4-132.7-131.2 140.5 3.1 6.8 4.6 45 55 A K >> - 0 0 136 -2,-0.4 4,-2.1 1,-0.1 3,-1.1 -0.614 35.0-115.7 -73.6 144.5 0.7 4.3 6.1 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.829 116.5 60.3 -54.8 -30.2 2.3 2.5 9.1 47 57 A E H 3> S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.889 106.0 47.4 -67.2 -31.4 2.2 -0.8 7.2 48 58 A T H <> S+ 0 0 31 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.917 109.4 53.1 -72.4 -40.3 4.5 0.9 4.6 49 59 A V H X>S+ 0 0 2 -4,-2.1 5,-1.4 1,-0.2 4,-0.6 0.964 113.4 44.1 -54.9 -49.3 6.7 2.2 7.4 50 60 A R H ><5S+ 0 0 85 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.934 107.4 59.3 -62.5 -41.1 6.9 -1.4 8.7 51 61 A A H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 98.8 57.8 -61.1 -30.8 7.5 -2.8 5.2 52 62 A T H 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.685 127.4 -98.3 -77.9 -9.8 10.6 -0.7 4.8 53 63 A G T <<5 + 0 0 17 -3,-2.0 -3,-0.2 -4,-0.6 -2,-0.1 0.366 66.5 154.6 118.5 -3.7 12.0 -2.4 7.9 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.2 3,-0.1 -0.310 21.8-173.6 -61.7 134.5 11.4 0.1 10.7 55 65 A D S S+ 0 0 8 -23,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.651 72.7 11.7 -95.1 -22.7 11.2 -1.6 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.987 65.4-149.7-156.5 150.0 10.2 1.5 16.0 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.3 -2,-0.3 2,-0.6 -0.837 21.9-116.7-120.2 161.1 9.0 5.1 15.2 58 68 A L E -de 35 90B 7 -24,-3.1 -22,-3.3 -2,-0.3 2,-0.8 -0.890 21.9-152.8-100.2 123.9 9.4 8.4 17.0 59 69 A G E -de 36 91B 4 31,-3.1 33,-1.5 -2,-0.6 2,-0.4 -0.838 13.2-139.1 -96.5 110.9 6.2 10.0 18.1 60 70 A N > - 0 0 20 -24,-2.5 4,-0.5 -2,-0.8 -22,-0.3 -0.591 16.1-170.5 -68.9 123.1 6.5 13.8 18.3 61 71 A T H > S+ 0 0 2 -2,-0.4 4,-2.7 2,-0.1 3,-0.3 0.858 70.3 72.7 -83.1 -42.0 4.8 15.0 21.5 62 72 A Y H > S+ 0 0 104 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.883 100.9 40.2 -43.7 -59.6 4.9 18.7 20.8 63 73 A H H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 6,-0.3 0.889 117.4 49.3 -64.4 -35.0 2.3 18.9 18.1 64 74 A L H <>S+ 0 0 3 -4,-0.5 5,-2.2 -3,-0.3 -1,-0.2 0.827 98.8 65.2 -75.8 -30.7 -0.0 16.4 19.8 65 75 A M H <5S+ 0 0 43 -4,-2.7 5,-0.4 4,-0.2 -1,-0.2 0.908 115.7 32.4 -53.4 -43.8 0.1 18.1 23.2 66 76 A L H <5S+ 0 0 87 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.925 120.2 53.0 -82.1 -52.4 -1.7 21.0 21.5 67 77 A R T <5S- 0 0 67 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 -0.959 134.0 -8.6-142.4 130.1 -3.8 19.2 19.0 68 78 A P T 5S- 0 0 41 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.946 105.0-135.2 -81.9 16.8 -5.6 17.0 19.5 69 79 A G >< - 0 0 10 -5,-2.2 4,-1.3 -6,-0.3 3,-0.3 0.284 23.9 -92.2 80.6 143.4 -4.0 17.2 22.9 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.790 119.4 59.4 -70.0 -29.5 -2.8 14.1 24.9 71 81 A E H > S+ 0 0 93 -6,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 104.2 50.4 -69.0 -37.3 -6.0 13.5 26.9 72 82 A R H > S+ 0 0 162 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.931 110.9 49.0 -64.1 -39.0 -8.1 13.1 23.7 73 83 A I H <>S+ 0 0 0 -4,-1.3 5,-3.1 2,-0.2 4,-0.5 0.939 110.7 51.0 -65.1 -44.1 -5.6 10.5 22.3 74 84 A A H ><5S+ 0 0 36 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.957 108.5 52.2 -50.4 -52.7 -5.7 8.7 25.6 75 85 A K H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.2 52.0 -53.0 -36.6 -9.5 8.7 25.4 76 86 A L T 3<5S- 0 0 91 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.451 133.4 -85.0 -86.9 -1.0 -9.3 7.2 22.0 77 87 A G T < 5S- 0 0 52 -3,-1.9 4,-0.4 -4,-0.5 -3,-0.2 0.421 73.0 -72.4 115.4 -0.2 -7.0 4.4 23.1 78 88 A G >< - 0 0 8 -5,-3.1 4,-2.3 -6,-0.2 3,-0.4 -0.090 60.6 -70.3 96.3 158.4 -3.5 5.8 22.9 79 89 A L H > S+ 0 0 2 42,-2.0 4,-2.7 1,-0.2 5,-0.3 0.793 126.6 60.2 -55.1 -40.8 -1.3 6.8 19.9 80 90 A H H >>S+ 0 0 17 41,-0.5 5,-1.9 1,-0.2 4,-0.9 0.943 113.3 36.4 -56.1 -51.0 -0.7 3.1 18.9 81 91 A S H 45S+ 0 0 85 -4,-0.4 -2,-0.2 -3,-0.4 -1,-0.2 0.916 116.0 55.8 -65.7 -46.6 -4.4 2.5 18.3 82 92 A F H <5S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.922 120.0 27.0 -55.2 -53.7 -5.0 6.0 16.9 83 93 A M H <5S- 0 0 30 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.485 109.4-114.8 -95.9 -2.3 -2.5 5.9 14.1 84 94 A G T <5 + 0 0 51 -4,-0.9 2,-0.5 -5,-0.3 -3,-0.2 0.886 69.5 132.1 74.5 40.5 -2.4 2.1 13.6 85 95 A W < + 0 0 8 -5,-1.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.966 27.8 179.0-122.4 110.0 1.2 1.3 14.7 86 96 A D + 0 0 125 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.439 54.8 86.2 -95.5 3.3 1.3 -1.6 17.1 87 97 A R S S- 0 0 68 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.320 94.1 -55.9 -94.4 174.6 5.1 -1.7 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.143 49.5-160.5 -54.6 146.8 7.3 0.3 20.0 89 99 A I E -e 57 0B 2 -33,-0.2 35,-2.6 33,-0.2 36,-2.0 -0.992 6.9-154.7-129.7 126.2 7.1 4.1 20.0 90 100 A L E -ef 58 125B 0 -33,-2.3 -31,-3.1 -2,-0.4 2,-0.4 -0.868 17.7-158.2 -95.5 126.3 9.7 6.4 21.4 91 101 A T E -ef 59 126B 0 34,-2.8 36,-1.0 -2,-0.5 -31,-0.2 -0.859 9.3-134.9-107.6 140.0 8.2 9.8 22.4 92 102 A N - 0 0 28 -33,-1.5 37,-0.1 -2,-0.4 35,-0.0 -0.379 22.9-119.7 -81.4 172.2 10.0 13.0 22.8 93 103 A S - 0 0 7 35,-0.2 24,-0.1 -2,-0.1 36,-0.1 0.656 36.9-122.9 -89.8 -15.3 9.4 15.1 25.8 94 104 A G S > S+ 0 0 2 4,-0.0 4,-1.1 15,-0.0 3,-0.1 0.072 85.3 102.5 99.0 -21.8 8.1 18.2 23.9 95 105 A G T 4 + 0 0 15 1,-0.2 37,-0.1 2,-0.2 34,-0.1 0.786 69.7 64.1 -66.6 -31.6 10.6 20.7 25.4 96 106 A Y T 4 S+ 0 0 159 1,-0.2 -1,-0.2 35,-0.1 33,-0.0 0.972 108.0 40.5 -59.7 -53.3 12.9 20.8 22.4 97 107 A Q T 4 0 0 47 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.758 360.0 360.0 -64.9 -29.4 10.3 22.3 20.1 98 108 A V < 0 0 72 -4,-1.1 -4,-0.0 7,-0.0 8,-0.0 -0.367 360.0 360.0 -66.2 360.0 9.0 24.7 22.9 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 0 117 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 128.3 11.6 29.4 31.4 101 118 A S B > -K 104 0C 61 3,-1.9 3,-0.5 1,-0.0 0, 0.0 -0.920 360.0 -82.8-156.1 176.0 12.2 28.6 35.1 102 119 A E T 3 S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.832 125.3 55.9 -58.1 -33.1 13.3 25.8 37.4 103 120 A E T 3 S- 0 0 59 1,-0.2 2,-0.3 7,-0.1 -1,-0.2 0.869 120.6 -93.4 -67.1 -38.0 9.7 24.4 37.4 104 121 A G B < -K 101 0C 5 -3,-0.5 -3,-1.9 6,-0.2 2,-0.5 -0.983 56.6 -36.8 158.2-148.8 9.6 24.1 33.5 105 122 A V B L 109 0D 42 4,-4.3 4,-3.7 -2,-0.3 -3,-0.0 -0.942 360.0 360.0-117.8 125.6 8.6 26.0 30.5 106 123 A T 0 0 115 -2,-0.5 -2,-0.0 2,-0.3 4,-0.0 -0.755 360.0 360.0 -89.1 360.0 5.5 28.2 30.3 107 ! 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 0.0 108 134 A M 0 0 119 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 100.8 3.3 25.4 31.3 109 135 A L B +L 105 0D 33 -4,-3.7 -4,-4.3 4,-0.0 3,-0.0 -0.976 360.0 166.8-129.0 118.9 5.3 22.3 30.6 110 136 A S > - 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0 0 97 -4,-3.1 -12,-0.4 -5,-0.2 2,-0.2 -0.836 62.9-131.7-118.6 154.2 8.8 3.7 -10.9 301 327 A S > - 0 0 22 -2,-0.3 4,-2.0 -14,-0.2 3,-0.2 -0.535 25.5-114.5 -92.0 158.5 11.4 5.7 -12.8 302 328 A R H > S+ 0 0 33 -16,-3.0 4,-2.8 -18,-0.3 5,-0.2 0.896 117.0 57.8 -48.4 -48.7 13.3 8.8 -11.9 303 329 A A H > S+ 0 0 17 -19,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.869 106.7 47.4 -57.8 -40.1 11.5 10.6 -14.8 304 330 A Y H > S+ 0 0 89 -20,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.931 113.9 45.5 -67.7 -45.0 8.1 9.8 -13.3 305 331 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.823 109.5 57.6 -69.1 -32.6 9.0 11.0 -9.8 306 332 A H H X S+ 0 0 18 -4,-2.8 4,-2.1 -25,-0.2 -1,-0.2 0.932 109.0 45.2 -56.4 -50.2 10.6 14.1 -11.3 307 333 A H H X S+ 0 0 105 -4,-1.9 4,-2.3 -5,-0.2 6,-0.2 0.958 112.4 51.1 -62.8 -47.8 7.3 14.9 -12.9 308 334 A L H <>S+ 0 0 6 -4,-2.4 5,-2.5 2,-0.2 4,-0.4 0.948 112.0 44.7 -55.3 -51.7 5.3 14.2 -9.8 309 335 A I H ><5S+ 0 0 12 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.942 114.2 49.7 -62.5 -43.1 7.4 16.4 -7.5 310 336 A R H 3<5S+ 0 0 130 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.864 111.0 50.3 -64.4 -31.7 7.5 19.2 -10.0 311 337 A A T 3<5S- 0 0 56 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.447 113.1-119.7 -84.1 -1.0 3.7 19.0 -10.4 312 338 A G T < 5 + 0 0 68 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.751 54.1 166.8 68.9 24.7 3.2 19.1 -6.6 313 339 A E >>< - 0 0 107 -5,-2.5 4,-1.1 -6,-0.2 3,-0.7 -0.483 41.6-136.6 -79.8 142.5 1.5 15.7 -6.7 314 340 A I H 3> S+ 0 0 126 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.884 104.0 61.9 -64.9 -39.0 0.9 13.8 -3.5 315 341 A L H 3> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.835 98.8 60.5 -56.1 -29.0 2.0 10.5 -4.9 316 342 A G H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.3 0.938 106.3 43.6 -63.0 -46.5 5.4 12.3 -5.4 317 343 A A H X S+ 0 0 19 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.914 114.0 53.0 -62.3 -40.8 5.8 12.9 -1.7 318 344 A M H X S+ 0 0 76 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.907 113.6 40.5 -61.6 -46.8 4.6 9.3 -1.0 319 345 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.890 115.3 49.8 -74.9 -41.2 7.1 7.6 -3.3 320 346 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.900 114.0 47.6 -62.6 -36.4 10.0 9.8 -2.4 321 347 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.902 110.3 49.8 -75.0 -39.3 9.3 9.2 1.3 322 348 A E H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.926 113.0 48.0 -64.0 -44.6 8.9 5.5 1.0 323 349 A H H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.941 111.8 48.6 -60.0 -50.9 12.2 5.2 -0.9 324 350 A N H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 113.2 45.8 -59.6 -47.4 14.2 7.4 1.5 325 351 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.879 113.6 51.2 -64.5 -34.7 13.0 5.6 4.6 326 352 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.935 108.9 50.9 -65.5 -41.1 13.7 2.3 2.8 327 353 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.943 109.8 50.0 -59.1 -49.1 17.2 3.6 2.0 328 354 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 110.7 48.6 -60.1 -40.5 17.8 4.5 5.6 329 355 A Q H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 109.7 52.4 -69.2 -29.9 16.7 1.1 6.9 330 356 A Q H X S+ 0 0 47 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.893 108.4 52.2 -70.9 -37.6 18.9 -0.6 4.3 331 357 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 109.7 48.0 -56.0 -52.6 21.8 1.4 5.6 332 358 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.890 111.0 51.0 -60.2 -41.4 21.1 0.3 9.1 333 359 A Q H X S+ 0 0 64 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.924 109.7 50.6 -61.2 -43.8 20.8 -3.3 8.0 334 360 A K H X S+ 0 0 81 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.880 111.0 49.2 -61.1 -40.5 24.2 -3.0 6.2 335 361 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 112.7 47.1 -61.2 -51.0 25.7 -1.5 9.4 336 362 A R H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.892 114.6 45.9 -58.6 -45.3 24.3 -4.3 11.6 337 363 A D H X S+ 0 0 64 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.894 113.4 48.3 -67.0 -41.6 25.5 -7.1 9.2 338 364 A S H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.2 6,-0.6 0.890 113.9 46.2 -71.7 -38.0 28.9 -5.6 8.8 339 365 A I H ><5S+ 0 0 2 -4,-2.5 3,-0.9 4,-0.2 -2,-0.2 0.914 111.3 53.4 -64.4 -43.0 29.3 -5.2 12.6 340 366 A S H 3<5S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.715 114.9 41.6 -59.6 -28.1 28.0 -8.7 13.0 341 367 A E T 3<5S- 0 0 121 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.358 113.4-115.0-103.9 -3.8 30.7 -10.0 10.6 342 368 A G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.825 90.7 103.5 70.2 31.5 33.5 -7.8 11.8 343 369 A R >< + 0 0 107 -5,-3.1 4,-2.0 -6,-0.1 -4,-0.2 0.001 35.8 114.1-129.7 29.2 33.8 -5.8 8.6 344 370 A F H > S+ 0 0 5 -6,-0.6 4,-3.1 2,-0.2 5,-0.2 0.861 74.2 54.9 -70.3 -36.4 32.1 -2.6 9.7 345 371 A S H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.954 110.7 45.8 -63.7 -43.4 35.2 -0.5 9.4 346 372 A Q H > S+ 0 0 115 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.935 112.7 52.2 -62.3 -40.1 35.7 -1.6 5.8 347 373 A F H X S+ 0 0 26 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.925 108.3 50.2 -58.6 -46.4 32.0 -1.0 5.2 348 374 A A H X S+ 0 0 5 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.897 113.8 44.9 -63.4 -39.4 32.3 2.6 6.6 349 375 A Q H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.952 115.0 47.1 -68.7 -47.4 35.2 3.3 4.4 350 376 A D H X S+ 0 0 89 -4,-3.1 4,-2.3 -5,-0.2 5,-0.3 0.920 113.2 51.0 -57.0 -43.4 33.6 1.8 1.3 351 377 A F H X S+ 0 0 10 -4,-3.2 4,-3.6 -5,-0.3 5,-0.2 0.971 111.9 43.6 -58.7 -57.4 30.4 3.6 2.1 352 378 A R H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.858 111.1 58.0 -61.2 -32.4 32.1 7.0 2.4 353 379 A A H < S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.955 116.5 31.5 -63.2 -49.8 34.1 6.3 -0.7 354 380 A R H < S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 115.5 59.4 -73.4 -39.0 31.1 5.8 -2.9 355 381 A Y H < 0 0 15 -4,-3.6 -2,-0.2 -5,-0.3 -3,-0.2 0.895 360.0 360.0 -62.7 -38.5 28.8 8.2 -1.1 356 382 A F < 0 0 158 -4,-2.0 -84,-0.0 -5,-0.2 0, 0.0 -0.485 360.0 360.0 -95.2 360.0 31.1 11.2 -1.7