==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-07 2Z1V . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR N.TIDTEN,B.STENGL,A.HEINE,G.A.GARCIA,G.KLEBE,K.REUTER . 369 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.6 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 . 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.3 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 1 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 1 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 . 0 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 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 0 163 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.2 8.8 -10.4 25.9 2 12 A P - 0 0 55 0, 0.0 3,-0.2 0, 0.0 180,-0.0 -0.316 360.0-105.2 -71.8 164.3 10.1 -8.4 28.9 3 13 A R S S- 0 0 68 1,-0.2 20,-0.4 19,-0.2 2,-0.3 0.938 102.8 -8.6 -50.7 -48.9 9.4 -4.7 29.5 4 14 A F + 0 0 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.2 -0.901 63.6 162.5-160.3 125.1 13.0 -4.0 28.3 5 15 A S E -A 21 0A 46 16,-1.7 16,-3.0 -2,-0.3 2,-0.5 -0.841 12.9-168.3-146.9 113.9 16.1 -6.1 27.5 6 16 A F E -A 20 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.878 12.5-179.3-101.5 125.3 19.1 -4.8 25.5 7 17 A S E -A 19 0A 62 12,-2.9 12,-2.3 -2,-0.5 2,-0.6 -0.987 20.4-145.0-128.9 135.9 21.5 -7.4 24.4 8 18 A I E +A 18 0A 43 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.867 18.6 175.2 -98.3 118.2 24.7 -6.9 22.4 9 19 A A E + 0 0 85 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.710 64.3 10.2 -94.1 -25.1 25.4 -9.7 20.0 10 20 A A E -A 17 0A 24 7,-1.9 7,-2.6 2,-0.0 2,-0.3 -0.992 59.4-164.1-157.9 149.8 28.5 -8.4 18.3 11 21 A R E -A 16 0A 111 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.959 11.1-178.4-135.1 152.2 31.1 -5.7 18.5 12 22 A E E > S-A 15 0A 45 3,-2.0 3,-2.4 -2,-0.3 2,-0.1 -0.874 72.1 -48.3-147.2 113.6 33.7 -4.1 16.3 13 23 A G T 3 S- 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 248,-0.1 -0.415 124.2 -22.0 59.5-131.3 35.8 -1.3 18.0 14 24 A K T 3 S+ 0 0 90 246,-0.6 -1,-0.3 -3,-0.1 2,-0.1 0.515 118.3 105.2 -84.2 -7.3 33.3 1.0 19.6 15 25 A A E < -A 12 0A 1 -3,-2.4 -3,-2.0 245,-0.2 2,-0.3 -0.486 49.8-171.8 -80.1 149.6 30.5 -0.2 17.3 16 26 A R E -A 11 0A 2 247,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.973 12.9-167.3-137.5 149.3 27.8 -2.6 18.6 17 27 A T E +A 10 0A 8 -7,-2.6 -8,-2.1 -2,-0.3 -7,-1.9 -0.992 36.1 105.1-135.5 142.9 24.9 -4.6 17.0 18 28 A G E -AB 8 29A 7 11,-2.0 11,-2.5 -2,-0.4 2,-0.3 -0.862 54.1 -77.2-179.4-150.7 22.2 -6.2 19.0 19 29 A T E -AB 7 28A 50 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.5 -0.995 10.4-148.4-145.9 144.8 18.5 -6.1 20.0 20 30 A I E -AB 6 27A 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.5 -0.987 22.6-156.6-106.9 115.6 16.1 -4.3 22.3 21 31 A E E +AB 5 26A 70 -16,-3.0 -16,-1.7 -2,-0.5 2,-0.3 -0.854 22.0 163.5 -93.0 130.3 13.3 -6.6 23.3 22 32 A M E > - B 0 25A 0 3,-1.6 3,-1.5 -2,-0.5 -19,-0.2 -0.883 52.3 -98.3-136.8 164.2 10.1 -4.8 24.5 23 33 A K T 3 S+ 0 0 95 -20,-0.4 3,-0.1 159,-0.3 -20,-0.1 0.852 122.1 46.1 -55.2 -39.2 6.5 -5.9 24.9 24 34 A R T 3 S- 0 0 99 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.430 126.3 -57.3 -86.4 -3.0 5.4 -4.5 21.5 25 35 A G E < -B 22 0A 1 -3,-1.5 -3,-1.6 62,-0.2 2,-0.4 -0.844 58.2 -65.4 154.3 174.1 8.3 -5.9 19.6 26 36 A V E -B 21 0A 50 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.774 34.6-152.6 -97.7 136.7 12.1 -6.3 19.0 27 37 A I E -B 20 0A 0 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.4 -0.958 11.1-142.9-111.2 118.3 14.3 -3.4 17.9 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.701 31.6-108.8 -82.4 134.5 17.3 -4.2 15.9 29 39 A T E S+B 18 0A 0 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.2 -0.899 100.7 46.9-120.4 145.0 20.4 -2.0 16.7 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.482 93.8-172.2 -61.4 138.6 21.8 0.1 15.4 31 41 A A E -c 265 0B 3 233,-2.1 235,-1.7 -2,-0.2 2,-0.5 -0.911 25.8-154.3-113.7 138.4 18.3 1.4 14.7 32 42 A F E -c 266 0B 2 -2,-0.4 23,-0.3 233,-0.2 24,-0.3 -0.979 14.7-155.7-109.4 127.6 16.9 4.2 12.6 33 43 A M E -c 267 0B 0 233,-2.8 235,-0.7 -2,-0.5 24,-0.2 -0.913 11.0-138.7-104.8 108.6 13.5 5.6 13.8 34 44 A P - 0 0 1 0, 0.0 24,-2.5 0, 0.0 2,-0.5 -0.338 29.7-116.2 -58.2 145.5 11.3 7.3 11.2 35 45 A V E -d 58 0B 4 233,-0.4 2,-0.7 22,-0.2 7,-0.5 -0.771 24.1-166.3 -94.9 124.0 9.7 10.4 12.8 36 46 A G E -d 59 0B 2 22,-3.6 24,-1.2 -2,-0.5 3,-0.5 -0.906 11.0-176.3-101.7 107.3 5.9 10.5 13.2 37 47 A T S S+ 0 0 18 3,-1.3 23,-1.3 -2,-0.7 2,-1.0 0.911 73.6 9.4 -70.5 -85.6 5.2 14.2 13.9 38 48 A A S S- 0 0 46 2,-0.2 -1,-0.2 25,-0.1 3,-0.1 -0.570 134.3 -58.8 -90.9 61.1 1.4 14.6 14.6 39 49 A A S S+ 0 0 18 -2,-1.0 2,-0.3 -3,-0.5 -1,-0.1 0.741 119.2 82.8 67.2 28.4 0.5 10.9 14.7 40 50 A T S S- 0 0 61 5,-0.0 -3,-1.3 6,-0.0 2,-0.7 -0.936 75.0-131.0-156.4 140.9 1.7 10.1 11.2 41 51 A V > - 0 0 4 3,-0.4 3,-2.1 -2,-0.3 -5,-0.2 -0.853 63.2 -98.8 -78.4 111.0 5.0 9.3 9.4 42 52 A K T 3 S- 0 0 81 -2,-0.7 -1,-0.1 -7,-0.5 3,-0.1 -0.085 95.5 -4.0 -54.0 124.4 4.3 11.9 6.7 43 53 A A T 3 S+ 0 0 40 1,-0.1 2,-0.4 291,-0.1 -1,-0.3 0.491 112.1 98.5 80.0 10.8 2.9 10.4 3.5 44 54 A L < - 0 0 13 -3,-2.1 -3,-0.4 290,-0.1 -1,-0.1 -0.983 66.8-132.4-131.2 135.4 3.1 6.8 4.6 45 55 A K >> - 0 0 135 -2,-0.4 4,-1.9 1,-0.1 3,-1.0 -0.555 36.2-112.8 -68.1 149.0 0.7 4.3 6.0 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 118.2 58.7 -54.3 -37.6 2.1 2.5 9.0 47 57 A E H 3> S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.877 106.2 49.6 -60.3 -34.2 2.1 -0.8 7.0 48 58 A T H <> S+ 0 0 31 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.906 108.0 52.2 -69.7 -42.4 4.4 0.9 4.5 49 59 A V H <>S+ 0 0 2 -4,-1.9 5,-1.4 1,-0.2 4,-0.5 0.931 112.4 46.3 -56.9 -44.7 6.7 2.2 7.3 50 60 A R H ><5S+ 0 0 81 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.930 105.5 60.6 -65.0 -39.8 7.0 -1.4 8.5 51 61 A A H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 97.3 59.8 -60.1 -27.3 7.6 -2.7 5.0 52 62 A T T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.665 125.7 -99.6 -75.0 -15.9 10.7 -0.6 4.8 53 63 A G T < 5 + 0 0 18 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.361 68.4 153.1 115.8 -2.4 12.2 -2.4 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.397 22.9-175.1 -63.5 135.7 11.5 0.1 10.6 55 65 A D S S+ 0 0 7 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.568 70.9 12.4-101.5 -18.6 11.1 -1.6 14.0 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.967 64.3-152.2-159.6 146.7 10.1 1.5 15.9 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.3 -2,-0.3 2,-0.4 -0.857 18.6-120.4-120.4 162.8 9.0 5.1 15.2 58 68 A L E -de 35 90B 1 -24,-2.5 -22,-3.6 -2,-0.3 2,-0.4 -0.851 17.9-157.6-101.1 139.9 9.3 8.4 17.1 59 69 A G E -de 36 91B 4 31,-2.5 33,-2.0 -2,-0.4 2,-0.9 -0.954 16.1-132.8-115.3 137.2 6.4 10.5 18.2 60 70 A N > - 0 0 9 -23,-1.3 4,-2.2 -24,-1.2 5,-0.3 -0.732 13.0-163.6 -92.0 104.1 6.7 14.3 18.9 61 71 A T H > S+ 0 0 0 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.897 84.9 58.7 -52.0 -43.7 5.0 15.0 22.2 62 72 A Y H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.940 109.7 41.4 -55.2 -52.1 4.9 18.8 21.6 63 73 A H H > S+ 0 0 34 1,-0.2 4,-2.9 -3,-0.2 3,-0.4 0.923 115.1 50.7 -64.9 -43.5 2.9 18.5 18.4 64 74 A L H <>S+ 0 0 1 -4,-2.2 5,-2.6 -27,-0.3 -2,-0.2 0.842 106.6 54.7 -63.3 -35.6 0.6 15.7 19.8 65 75 A M H <5S+ 0 0 16 -4,-2.7 5,-0.4 -5,-0.3 -1,-0.2 0.812 114.4 41.6 -70.4 -26.3 -0.2 17.7 22.9 66 76 A L H <5S+ 0 0 36 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.882 119.2 45.7 -80.3 -47.4 -1.3 20.6 20.7 67 77 A R T <5S- 0 0 206 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.929 131.7 -5.4-149.8 119.9 -3.2 18.5 18.2 68 78 A P T 5S- 0 0 33 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.999 104.4-115.7 -89.8 -3.7 -5.1 16.3 18.8 69 79 A G >< - 0 0 14 -5,-2.6 4,-2.0 -6,-0.1 -4,-0.2 -0.046 10.3-113.7 116.4 136.7 -4.4 16.5 22.5 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.933 115.9 48.2 -69.5 -46.9 -2.8 14.0 24.9 71 81 A E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 111.1 52.3 -61.8 -37.4 -6.0 13.4 26.9 72 82 A R H > S+ 0 0 156 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 108.3 49.9 -64.1 -43.5 -8.0 13.0 23.7 73 83 A I H <>S+ 0 0 0 -4,-2.0 5,-3.1 1,-0.2 4,-0.4 0.925 110.5 50.4 -60.6 -39.3 -5.5 10.4 22.4 74 84 A A H ><5S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.928 109.0 51.5 -65.3 -40.2 -5.8 8.5 25.7 75 85 A K H 3<5S+ 0 0 178 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.4 53.1 -64.0 -30.1 -9.6 8.6 25.6 76 86 A L T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.482 132.3 -87.4 -87.7 -3.7 -9.3 7.1 22.0 77 87 A G T < 5S- 0 0 53 -3,-1.5 4,-0.3 -4,-0.4 -3,-0.2 0.423 73.1 -68.3 115.4 -0.2 -7.2 4.2 23.1 78 88 A G >< - 0 0 10 -5,-3.1 4,-2.4 -6,-0.2 57,-0.2 -0.219 60.2 -70.7 103.0 163.2 -3.6 5.5 22.9 79 89 A L H > S+ 0 0 3 55,-2.8 4,-2.6 1,-0.2 6,-0.3 0.871 125.1 55.3 -65.6 -37.6 -1.3 6.6 20.1 80 90 A H H >>S+ 0 0 7 54,-0.5 4,-1.5 1,-0.2 5,-1.3 0.955 113.7 39.4 -64.2 -46.0 -0.7 3.1 18.7 81 91 A S H 45S+ 0 0 87 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.901 114.4 55.9 -66.8 -42.8 -4.4 2.3 18.2 82 92 A F H <5S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.952 120.9 26.2 -55.7 -50.8 -5.1 5.9 17.0 83 93 A M H <5S- 0 0 32 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.586 107.5-115.9 -96.4 -8.1 -2.5 5.9 14.2 84 94 A G T <5S+ 0 0 51 -4,-1.5 2,-0.5 -5,-0.3 -3,-0.2 0.786 70.6 127.9 79.4 30.6 -2.4 2.1 13.5 85 95 A W < + 0 0 9 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.979 30.0 179.7-114.7 119.0 1.2 1.3 14.5 86 96 A D + 0 0 113 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.387 53.5 83.9-105.6 5.1 1.4 -1.6 16.9 87 97 A R S S- 0 0 71 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.310 95.4 -51.0 -92.9 177.5 5.1 -1.8 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.194 50.0-163.3 -55.5 147.6 7.3 0.3 19.8 89 99 A I E -e 57 0B 0 -33,-0.2 48,-2.2 46,-0.1 49,-1.9 -0.998 5.9-156.7-127.9 127.2 7.0 4.0 19.8 90 100 A L E -ef 58 138B 0 -33,-2.3 -31,-2.5 -2,-0.4 2,-0.4 -0.939 13.8-159.3 -97.7 130.4 9.7 6.3 21.4 91 101 A T E -ef 59 139B 0 47,-2.4 49,-0.9 -2,-0.5 -31,-0.2 -0.920 9.8-136.2-112.8 138.2 8.3 9.7 22.3 92 102 A D - 0 0 16 -33,-2.0 -31,-0.2 -2,-0.4 48,-0.1 -0.271 27.6-111.2 -78.9 175.7 10.4 12.8 22.8 93 103 A S - 0 0 6 48,-0.2 37,-0.1 46,-0.1 38,-0.1 0.650 37.4-122.2 -86.6 -13.2 9.7 15.0 25.8 94 104 A G S > S+ 0 0 0 28,-0.1 4,-1.7 48,-0.0 48,-0.1 0.126 82.6 112.3 90.1 -8.8 8.4 18.0 23.9 95 105 A G H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 50,-0.2 0.836 70.7 53.0 -66.7 -33.5 11.1 20.3 25.4 96 106 A Y H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.970 110.2 46.3 -69.2 -47.4 13.1 20.9 22.2 97 107 A Q H >>S+ 0 0 25 2,-0.3 4,-2.9 1,-0.2 5,-1.2 0.792 104.6 62.2 -69.1 -27.0 10.1 22.0 20.1 98 108 A V H X5S+ 0 0 0 -4,-1.7 4,-1.1 3,-0.2 -1,-0.2 0.975 111.6 39.9 -56.0 -49.6 8.9 24.2 22.9 99 109 A M H <5S+ 0 0 71 -4,-1.7 -2,-0.3 1,-0.2 -1,-0.2 0.917 124.4 35.6 -74.2 -33.7 12.1 26.1 22.4 100 110 A S H <5S+ 0 0 66 -4,-2.8 -3,-0.2 -5,-0.1 -1,-0.2 0.866 131.3 21.1 -90.7 -25.9 12.3 26.0 18.7 101 111 A L H <5S+ 0 0 60 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.779 102.0 79.9-111.3 -27.3 8.7 26.4 17.6 102 112 A S << - 0 0 18 -5,-1.2 3,-0.2 -4,-1.1 2,-0.2 -0.232 62.9-134.2 -83.0 168.8 6.6 27.9 20.5 103 113 A S E +K 115 0C 56 12,-1.8 12,-2.0 1,-0.2 -1,-0.1 -0.667 69.6 18.0-115.0 174.9 6.2 31.5 21.5 104 114 A L E S- 0 0 158 -2,-0.2 -1,-0.2 10,-0.2 2,-0.1 0.823 79.5-175.6 39.2 45.6 6.2 33.7 24.6 105 115 A T E - 0 0 56 -3,-0.2 2,-0.4 9,-0.1 9,-0.2 -0.431 18.7-160.0 -79.0 152.4 7.9 31.0 26.5 106 116 A K E -K 113 0C 49 7,-2.4 7,-2.5 -2,-0.1 2,-0.3 -0.932 9.9-164.8-133.0 106.9 8.5 31.4 30.2 107 117 A Q E +K 112 0C 59 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.703 18.4 150.6 -96.4 142.2 11.2 29.1 31.7 108 118 A S E > -K 111 0C 59 3,-2.3 3,-0.5 -2,-0.3 -2,-0.0 -0.921 60.6 -86.4-154.0 177.1 11.7 28.4 35.4 109 119 A E T 3 S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.767 125.7 53.3 -63.5 -27.8 13.0 25.6 37.7 110 120 A E T 3 S- 0 0 125 1,-0.2 2,-0.3 13,-0.1 -1,-0.2 0.805 122.6 -90.7 -73.3 -29.2 9.5 24.1 37.7 111 121 A G E < -K 108 0C 5 -3,-0.5 -3,-2.3 12,-0.2 2,-0.4 -0.991 50.8 -55.2 153.0-147.6 9.2 23.9 33.9 112 122 A V E -KL 107 122C 3 10,-3.1 10,-2.8 -2,-0.3 2,-0.4 -0.988 26.1-160.3-140.8 137.5 8.0 26.0 31.0 113 123 A T E +KL 106 121C 74 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.3 -0.898 28.0 161.8-109.4 150.7 4.8 27.7 30.0 114 124 A F E - 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0 0 93 -4,-3.0 -12,-0.3 -5,-0.2 2,-0.2 -0.859 62.6-130.4-123.1 153.0 8.8 3.8 -11.1 314 327 A S > - 0 0 22 -2,-0.3 4,-2.3 -14,-0.1 5,-0.2 -0.523 27.2-115.3 -87.2 153.3 11.4 5.8 -12.9 315 328 A R H > S+ 0 0 35 -16,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 117.5 60.1 -43.9 -44.6 13.2 8.9 -11.9 316 329 A A H > S+ 0 0 16 -19,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 106.8 45.4 -57.5 -45.2 11.4 10.6 -14.8 317 330 A Y H > S+ 0 0 82 -20,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 114.5 45.1 -68.0 -45.1 8.0 9.8 -13.3 318 331 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.897 110.5 56.3 -67.1 -37.8 8.9 10.9 -9.8 319 332 A H H X S+ 0 0 15 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.924 108.8 47.7 -51.7 -49.1 10.6 14.1 -11.2 320 333 A H H X S+ 0 0 106 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.938 111.7 49.3 -61.1 -50.0 7.2 14.9 -12.9 321 334 A L H <>S+ 0 0 7 -4,-2.5 5,-2.7 2,-0.2 4,-0.4 0.917 113.1 45.4 -59.9 -42.2 5.2 14.3 -9.8 322 335 A I H ><5S+ 0 0 12 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.935 112.8 50.6 -71.8 -40.8 7.4 16.4 -7.5 323 336 A R H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.4 47.8 -62.4 -31.7 7.5 19.2 -10.1 324 337 A A T 3<5S- 0 0 56 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.422 112.2-120.3 -87.4 -2.1 3.8 19.1 -10.3 325 338 A G T < 5 + 0 0 69 -3,-1.2 2,-0.2 -4,-0.4 -3,-0.2 0.767 52.8 167.0 68.3 27.3 3.3 19.1 -6.6 326 339 A E >>< - 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