==== 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 TRNA-MODIFYING ENZYME 06-AUG-96 1WKF . COMPND 2 MOLECULE: TRNA-GUANINE TRANSGLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR C.ROMIER,K.REUTER,D.SUCK,R.FICNER . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 7.3 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 . 20 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 2 1 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 2 3 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 2 1 0 1 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 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 0 247 0, 0.0 22,-0.1 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 -39.1 7.8 -10.4 26.0 2 12 A P - 0 0 46 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.277 360.0-117.8 -71.9 164.6 9.7 -8.4 28.7 3 13 A R S S- 0 0 70 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.909 95.4 -14.3 -64.0 -44.3 9.0 -4.7 29.5 4 14 A F E +A 22 0A 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.874 67.7 164.4-165.3 126.1 12.5 -3.7 28.4 5 15 A S E -A 21 0A 50 16,-1.5 16,-3.0 -2,-0.3 2,-0.5 -0.900 13.2-166.3-149.6 117.0 15.6 -5.8 27.6 6 16 A F E +A 20 0A 30 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.906 10.5 178.9-109.0 124.6 18.7 -4.7 25.7 7 17 A S E -A 19 0A 54 12,-2.5 12,-2.4 -2,-0.5 2,-0.6 -0.990 20.9-144.3-127.1 133.2 21.2 -7.3 24.6 8 18 A I E +A 18 0A 46 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.858 16.6 179.9 -95.5 116.8 24.4 -6.6 22.6 9 19 A A E + 0 0 88 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.737 65.7 6.8 -89.1 -27.4 25.1 -9.4 20.1 10 20 A A E -A 17 0A 23 7,-2.0 7,-2.3 2,-0.0 2,-0.3 -0.997 59.7-162.6-154.8 155.8 28.3 -8.1 18.6 11 21 A R E +A 16 0A 121 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.969 10.4 179.1-139.1 158.3 30.9 -5.3 19.0 12 22 A E E > S-A 15 0A 43 3,-2.1 3,-1.8 -2,-0.3 2,-0.1 -0.807 72.3 -44.7-157.9 108.2 33.6 -3.6 17.0 13 23 A G T 3 S- 0 0 79 1,-0.3 -1,-0.2 -2,-0.3 251,-0.1 -0.482 124.6 -24.9 63.2-131.2 35.5 -0.8 18.6 14 24 A K T 3 S+ 0 0 91 249,-0.6 -1,-0.3 -2,-0.1 250,-0.1 0.625 120.0 100.9 -86.8 -13.3 32.9 1.4 20.2 15 25 A A E < +A 12 0A 1 -3,-1.8 -3,-2.1 248,-0.2 2,-0.3 -0.358 49.1 178.0 -74.8 145.6 30.2 0.2 17.8 16 26 A R E -A 11 0A 4 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.999 18.0-157.3-150.0 152.7 27.7 -2.4 18.8 17 27 A T E +A 10 0A 8 -7,-2.3 -8,-2.1 -2,-0.3 -7,-2.0 -0.975 35.8 112.7-127.7 144.0 24.7 -4.2 17.4 18 28 A G E -AB 8 29A 6 11,-1.9 11,-2.7 -2,-0.4 2,-0.3 -0.873 50.3 -86.9-173.5-150.9 22.0 -5.9 19.3 19 29 A T E -AB 7 28A 41 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.5 -0.975 11.1-142.8-146.4 158.8 18.3 -5.7 20.1 20 30 A I E -AB 6 27A 0 7,-2.2 7,-2.6 -2,-0.3 2,-0.5 -0.994 20.7-154.4-122.2 117.9 15.8 -4.2 22.5 21 31 A E E +AB 5 26A 75 -16,-3.0 -16,-1.5 -2,-0.5 2,-0.3 -0.841 22.5 164.0 -96.4 129.5 13.0 -6.4 23.5 22 32 A M E > -AB 4 25A 4 3,-1.6 3,-1.1 -2,-0.5 -19,-0.2 -0.865 51.8 -99.3-135.5 167.5 9.8 -4.7 24.6 23 33 A K T 3 S+ 0 0 96 -20,-0.5 -20,-0.1 162,-0.3 3,-0.1 0.882 122.6 44.8 -59.9 -37.6 6.2 -5.9 25.0 24 34 A R T 3 S- 0 0 108 1,-0.2 -1,-0.2 -21,-0.2 2,-0.2 0.463 126.0 -54.9 -87.0 -1.6 5.1 -4.4 21.6 25 35 A G E < -B 22 0A 16 -3,-1.1 -3,-1.6 62,-0.2 2,-0.4 -0.853 56.3 -66.2 153.1 173.3 8.2 -5.7 19.7 26 36 A V E -B 21 0A 62 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.792 33.9-156.5 -96.9 137.4 11.9 -6.2 19.0 27 37 A I E -B 20 0A 0 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.968 10.5-145.5-114.9 118.7 14.0 -3.2 18.0 28 38 A R E -B 19 0A 75 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.730 31.4-108.9 -86.5 135.1 17.2 -4.0 16.1 29 39 A T E S+B 18 0A 0 -11,-2.7 -11,-1.9 -2,-0.4 2,-0.2 -0.920 99.3 49.9-123.8 146.7 20.1 -1.7 16.9 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 238,-0.2 0.392 93.2-173.5 -56.2 139.8 21.7 0.5 15.6 31 41 A A E -c 268 0B 3 236,-3.0 238,-1.9 -2,-0.2 2,-0.5 -0.915 26.9-156.6-122.0 142.5 18.2 1.7 15.0 32 42 A F E -c 269 0B 3 -2,-0.4 24,-0.3 236,-0.2 23,-0.3 -0.972 14.0-156.6-114.1 130.6 16.7 4.6 13.0 33 43 A M E -c 270 0B 0 236,-3.1 238,-0.8 -2,-0.5 24,-0.2 -0.906 12.7-134.9-110.0 120.2 13.3 5.8 14.1 34 44 A P E -c 271 0B 2 0, 0.0 24,-2.7 0, 0.0 2,-0.4 -0.483 29.6-114.1 -67.8 146.7 11.1 7.6 11.5 35 45 A V E -d 58 0B 7 236,-0.6 2,-0.6 22,-0.2 7,-0.5 -0.691 24.6-167.5 -89.8 129.0 9.4 10.7 13.0 36 46 A G E > +d 59 0B 3 22,-3.5 24,-0.7 -2,-0.4 3,-0.6 -0.885 11.6 176.0-115.6 94.3 5.6 10.8 13.4 37 47 A T T 3 S+ 0 0 27 3,-0.7 23,-0.4 -2,-0.6 2,-0.3 0.967 76.0 19.3 -65.0 -65.7 4.8 14.5 14.1 38 48 A A T 3 S- 0 0 50 2,-0.6 -1,-0.2 25,-0.1 3,-0.1 -0.374 132.0 -69.1-108.1 60.4 1.0 14.6 14.3 39 49 A A S < S+ 0 0 15 -3,-0.6 2,-0.3 -2,-0.3 -2,-0.1 0.803 118.0 85.8 61.2 31.7 0.3 10.9 14.8 40 50 A T S S- 0 0 62 5,-0.0 2,-0.9 6,-0.0 -3,-0.7 -0.938 77.9-130.7-161.0 135.3 1.5 10.2 11.3 41 51 A V > - 0 0 4 3,-0.5 3,-2.1 -2,-0.3 -5,-0.2 -0.834 62.4 -94.3 -85.2 111.8 4.8 9.6 9.6 42 52 A K T 3 S- 0 0 85 -2,-0.9 -1,-0.1 -7,-0.5 3,-0.1 -0.001 96.5 -7.1 -39.3 118.9 4.2 12.1 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.2 2,-0.4 294,-0.1 -1,-0.3 0.542 111.9 103.5 71.3 16.2 2.8 10.8 3.6 44 54 A L < - 0 0 19 -3,-2.1 -3,-0.5 293,-0.1 -1,-0.2 -0.983 66.4-132.5-132.9 138.0 3.0 7.1 4.6 45 55 A K >> - 0 0 132 -2,-0.4 4,-1.9 1,-0.1 3,-1.4 -0.565 36.6-114.3 -75.3 149.1 0.5 4.5 5.9 46 56 A P H 3> S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 118.5 57.5 -53.5 -40.2 1.9 2.7 9.0 47 57 A E H 3> S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.823 105.9 50.4 -60.2 -31.2 2.1 -0.5 7.1 48 58 A T H <> S+ 0 0 28 -3,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.904 107.9 51.9 -74.5 -38.9 4.4 1.3 4.6 49 59 A V H <>S+ 0 0 2 -4,-1.9 5,-1.3 1,-0.2 3,-0.3 0.901 112.9 45.5 -59.4 -42.7 6.5 2.5 7.4 50 60 A R H ><5S+ 0 0 74 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.897 106.5 60.2 -68.6 -39.4 6.8 -1.1 8.6 51 61 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.748 96.9 59.5 -60.1 -29.4 7.5 -2.3 5.1 52 62 A T T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.601 127.2 -98.3 -75.7 -12.2 10.6 -0.1 4.8 53 63 A G T < 5 + 0 0 19 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.341 69.5 151.8 114.7 -5.2 12.0 -2.0 7.9 54 64 A A < - 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.338 23.0-176.7 -62.7 131.8 11.3 0.3 10.8 55 65 A D S S+ 0 0 8 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.601 72.9 17.4 -99.2 -18.3 10.8 -1.5 14.2 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.987 63.2-159.2-155.0 146.2 9.9 1.7 16.0 57 67 A I E - e 0 89B 2 31,-1.3 33,-2.3 -2,-0.3 2,-0.4 -0.830 20.4-120.5-122.7 165.9 8.8 5.3 15.3 58 68 A L E -de 35 90B 4 -24,-2.7 -22,-3.5 -2,-0.3 2,-0.3 -0.892 21.1-170.6-112.6 135.8 8.9 8.5 17.3 59 69 A G E -de 36 91B 4 31,-2.8 33,-2.5 -2,-0.4 2,-0.4 -0.893 19.2-129.7-117.7 151.2 6.0 10.6 18.3 60 70 A N E > - e 0 92B 7 -24,-0.7 4,-1.4 -23,-0.4 5,-0.2 -0.899 3.6-151.8-108.2 135.7 6.2 14.1 19.8 61 71 A T H > S+ 0 0 0 31,-1.1 4,-1.3 -2,-0.4 9,-0.1 0.719 90.8 61.4 -71.5 -22.2 4.4 15.2 23.0 62 72 A Y H > S+ 0 0 0 2,-0.2 4,-1.3 3,-0.1 -1,-0.1 0.989 107.9 37.3 -71.2 -60.6 4.3 18.8 21.9 63 73 A H H >> S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.919 117.8 49.7 -59.2 -48.1 2.2 18.6 18.8 64 74 A L H 3<>S+ 0 0 0 -4,-1.4 5,-2.8 -27,-0.3 -1,-0.2 0.822 105.5 57.0 -62.8 -33.3 -0.1 15.9 20.1 65 75 A M H 3<5S+ 0 0 17 -4,-1.3 5,-0.3 4,-0.2 -1,-0.2 0.837 114.6 40.1 -67.3 -31.1 -0.8 17.7 23.3 66 76 A L H <<5S+ 0 0 23 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.941 118.3 48.8 -80.0 -53.7 -2.0 20.6 21.2 67 77 A R T <5S- 0 0 157 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 -0.987 133.3 -9.6-138.7 125.9 -3.9 18.6 18.5 68 78 A P T 5S- 0 0 41 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 -0.979 105.7-116.5 -90.0 3.7 -5.8 16.5 19.1 69 79 A G >< - 0 0 13 -5,-2.8 4,-2.2 -6,-0.2 -4,-0.2 0.174 11.7-108.7 108.6 133.6 -4.9 16.5 22.7 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.927 118.5 48.2 -56.8 -50.6 -3.3 13.9 25.0 71 81 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 110.0 52.3 -59.7 -44.2 -6.5 13.2 26.9 72 82 A R H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 110.3 48.2 -59.9 -45.2 -8.6 12.9 23.7 73 83 A I H X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-0.6 0.910 110.4 50.6 -61.9 -45.0 -6.1 10.3 22.3 74 84 A A H ><5S+ 0 0 32 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.962 110.6 50.4 -56.4 -48.6 -6.1 8.3 25.6 75 85 A K H 3<5S+ 0 0 175 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.9 55.0 -57.3 -37.3 -10.0 8.4 25.4 76 86 A L H 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.546 133.3 -90.2 -75.2 -7.2 -9.8 7.1 21.8 77 87 A G T <<5S- 0 0 53 -3,-1.9 4,-0.4 -4,-0.6 -3,-0.2 0.447 73.4 -66.8 113.1 2.2 -7.7 4.2 23.0 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.6 -6,-0.2 60,-0.2 -0.156 57.9 -71.7 103.7 162.7 -4.2 5.5 22.7 79 89 A L H > S+ 0 0 1 58,-2.6 4,-2.8 2,-0.2 5,-0.3 0.902 124.8 54.4 -59.4 -45.7 -1.7 6.5 20.0 80 90 A H H >>S+ 0 0 13 57,-0.5 5,-1.5 1,-0.2 4,-1.4 0.935 115.2 38.5 -54.9 -52.6 -1.1 3.0 18.7 81 91 A S H 45S+ 0 0 86 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.904 115.7 56.0 -65.0 -41.7 -4.7 2.3 18.1 82 92 A F H <5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.929 119.7 26.8 -58.5 -53.9 -5.3 5.9 16.9 83 93 A M H <5S- 0 0 30 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.511 108.2-113.3 -91.2 -7.8 -2.7 5.9 14.1 84 94 A G T <5S+ 0 0 53 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.813 72.3 130.6 80.6 28.5 -2.6 2.2 13.3 85 95 A W < + 0 0 8 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.968 28.1 177.5-116.6 113.3 0.9 1.5 14.5 86 96 A D + 0 0 126 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.401 55.0 81.7 -98.2 1.1 1.1 -1.6 16.8 87 97 A R S S- 0 0 68 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.334 96.9 -54.5 -95.3 179.2 4.8 -1.7 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.3 0, 0.0 2,-0.4 -0.211 47.8-162.1 -58.9 148.1 6.8 0.4 19.9 89 99 A I E -e 57 0B 0 -33,-0.2 51,-1.9 49,-0.2 52,-1.8 -0.998 5.7-154.5-131.1 129.7 6.6 4.2 19.9 90 100 A L E -ef 58 141B 0 -33,-2.3 -31,-2.8 -2,-0.4 2,-0.5 -0.926 15.2-150.7-104.3 127.2 9.2 6.5 21.5 91 101 A T E -ef 59 142B 0 50,-2.5 52,-0.8 -2,-0.5 -31,-0.2 -0.897 8.6-135.2-106.7 127.6 7.8 9.8 22.6 92 102 A D E -e 60 0B 14 -33,-2.5 -31,-1.1 -2,-0.5 53,-0.1 -0.469 24.5-124.8 -66.8 150.3 9.9 13.0 22.7 93 103 A S - 0 0 0 51,-0.3 -1,-0.1 -33,-0.1 40,-0.1 0.566 35.8-118.7 -79.2 -8.6 9.1 14.9 26.0 94 104 A G S > S+ 0 0 0 51,-0.0 4,-2.1 -33,-0.0 5,-0.2 0.332 79.8 118.7 89.9 -7.7 8.2 18.1 24.1 95 105 A G H > S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 53,-0.3 0.840 74.2 47.9 -59.2 -42.0 10.9 20.3 25.7 96 106 A Y H > S+ 0 0 107 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.851 115.2 44.4 -71.3 -32.5 12.8 21.1 22.6 97 107 A Q H >>S+ 0 0 23 2,-0.2 4,-3.3 1,-0.2 5,-0.7 0.818 103.7 63.8 -78.3 -32.1 9.6 22.1 20.6 98 108 A V H X5S+ 0 0 2 -4,-2.1 4,-0.6 1,-0.3 -1,-0.2 0.911 112.4 38.0 -58.4 -33.8 8.2 24.1 23.5 99 109 A M H <5S+ 0 0 75 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.608 123.0 41.3 -91.8 -13.9 11.3 26.3 23.0 100 110 A S H <5S+ 0 0 62 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.2 0.771 126.6 21.9-106.1 -30.4 11.3 26.2 19.2 101 111 A L H <5S+ 0 0 72 -4,-3.3 2,-0.2 -5,-0.1 -3,-0.2 0.447 99.0 95.9-118.7 -4.9 7.7 26.5 18.0 102 112 A S << - 0 0 22 -5,-0.7 3,-0.3 -4,-0.6 2,-0.3 -0.609 66.8-125.2 -92.5 152.5 5.9 28.1 20.9 103 113 A S E S-K 115 0C 56 12,-2.7 12,-2.7 -2,-0.2 -2,-0.1 -0.680 83.1 -0.1 -92.9 146.3 5.1 31.8 21.4 104 114 A L E S- 0 0 129 -2,-0.3 -1,-0.2 10,-0.2 2,-0.2 0.871 79.4-158.7 39.9 66.0 6.2 33.6 24.6 105 115 A T E - 0 0 64 -3,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.464 4.6-157.1 -73.1 140.0 7.9 30.8 26.5 106 116 A K E -K 113 0C 109 7,-3.0 7,-2.0 -2,-0.2 2,-0.3 -0.931 5.7-157.1-124.8 105.1 8.3 31.2 30.2 107 117 A Q E +K 112 0C 81 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.602 25.4 148.3 -83.9 141.1 11.0 29.2 31.9 108 118 A S - 0 0 28 3,-1.8 3,-0.5 -2,-0.3 -2,-0.0 -0.958 59.3-100.1-160.6 166.3 10.9 28.4 35.6 109 119 A E S S+ 0 0 71 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.778 122.4 54.6 -65.6 -25.1 12.0 25.6 38.0 110 120 A E S S- 0 0 134 1,-0.2 2,-0.3 16,-0.1 -1,-0.2 0.787 125.0 -89.0 -77.6 -29.4 8.5 24.2 38.0 111 121 A G - 0 0 3 -3,-0.5 -3,-1.8 15,-0.2 2,-0.4 -0.987 53.9 -49.7 157.4-146.2 8.5 24.0 34.2 112 122 A V E -KL 107 125C 2 13,-2.5 13,-2.3 -2,-0.3 2,-0.4 -0.995 31.8-157.1-134.6 137.0 7.7 26.1 31.2 113 123 A T E +KL 106 124C 54 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.3 -0.878 28.4 160.5-107.3 140.9 4.6 28.1 30.2 114 124 A F E - 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0 0 24 -3,-1.1 19,-2.5 1,-0.2 18,-0.3 -0.721 34.7-171.8 -83.5 111.9 16.1 9.2 -16.6 301 311 A L + 0 0 133 -2,-0.8 -1,-0.2 17,-0.2 -4,-0.0 0.562 52.6 103.3 -82.0 -10.4 14.4 5.8 -16.6 302 312 A K S S- 0 0 108 15,-0.1 16,-2.5 1,-0.1 17,-0.3 -0.312 80.0-101.9 -71.8 155.3 16.6 4.4 -13.8 303 313 A P - 0 0 36 0, 0.0 3,-0.2 0, 0.0 14,-0.2 -0.294 41.2 -93.2 -72.7 165.8 15.2 4.2 -10.2 304 314 A L S S+ 0 0 0 12,-0.4 2,-0.3 1,-0.2 -21,-0.1 0.874 117.1 12.1 -45.0 -41.3 16.0 6.8 -7.5 305 315 A D S S- 0 0 2 3,-0.1 3,-0.3 -20,-0.1 -1,-0.2 -0.984 70.1-141.6-144.3 133.9 18.8 4.4 -6.6 306 316 A S S S+ 0 0 85 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.482 101.9 36.2 -69.3 -14.3 20.1 1.3 -8.5 307 317 A E S S+ 0 0 101 -4,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.549 87.4 113.8-117.2 -11.1 20.7 -0.9 -5.5 308 318 A C - 0 0 3 -3,-0.3 -3,-0.1 1,-0.1 35,-0.1 -0.348 50.2-158.9 -65.7 134.1 17.8 0.1 -3.3 309 319 A H + 0 0 131 33,-0.1 -1,-0.1 -2,-0.1 5,-0.0 0.263 47.2 125.5 -99.2 15.6 15.2 -2.6 -2.8 310 320 A C S > S- 0 0 8 1,-0.1 4,-1.0 29,-0.1 3,-0.3 -0.360 74.2-110.5 -73.8 156.3 12.2 -0.5 -1.9 311 321 A A H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.751 116.4 58.6 -53.8 -31.0 8.9 -0.7 -3.7 312 322 A V H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 3,-0.3 0.960 107.8 43.8 -67.6 -48.5 9.5 2.7 -5.3 313 323 A C H 4 S+ 0 0 12 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 112.4 54.1 -72.1 -15.3 12.7 1.7 -7.0 314 324 A Q H < S+ 0 0 131 -4,-1.0 -1,-0.2 -5,-0.0 -2,-0.2 0.775 124.6 22.7 -88.3 -23.7 11.2 -1.5 -8.1 315 325 A K H < S+ 0 0 132 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.711 112.9 51.1-117.5 -21.3 8.3 0.2 -9.8 316 326 A W < - 0 0 85 -4,-3.5 -12,-0.4 -5,-0.2 2,-0.2 -0.899 62.0-132.5-127.8 152.7 9.0 3.9 -10.7 317 327 A S > - 0 0 22 -2,-0.3 4,-2.3 -14,-0.2 5,-0.2 -0.562 27.3-116.0 -93.3 160.7 11.6 5.9 -12.6 318 328 A R H > S+ 0 0 34 -16,-2.5 4,-3.4 -18,-0.3 5,-0.2 0.901 116.2 60.6 -56.5 -43.0 13.4 9.1 -11.7 319 329 A A H > S+ 0 0 18 -19,-2.5 4,-2.0 -17,-0.3 -1,-0.2 0.882 107.0 42.7 -53.0 -47.6 11.6 10.6 -14.7 320 330 A Y H > S+ 0 0 84 -20,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.963 117.0 45.8 -65.9 -50.7 8.2 10.0 -13.3 321 331 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.887 109.8 55.3 -61.9 -36.5 9.0 11.1 -9.8 322 332 A H H X S+ 0 0 16 -4,-3.4 4,-2.5 -25,-0.3 -1,-0.2 0.954 110.8 46.5 -58.2 -49.0 10.8 14.2 -11.2 323 333 A H H X S+ 0 0 102 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.5 50.6 -57.9 -51.6 7.5 15.0 -13.0 324 334 A L H <>S+ 0 0 6 -4,-2.7 5,-2.9 2,-0.2 4,-0.4 0.910 112.6 45.4 -56.4 -49.0 5.3 14.3 -9.8 325 335 A I H ><5S+ 0 0 13 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.929 113.4 49.1 -65.4 -43.5 7.4 16.6 -7.6 326 336 A R H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.853 112.2 49.6 -65.6 -30.1 7.6 19.4 -10.2 327 337 A A T 3<5S- 0 0 57 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.508 112.7-122.5 -82.8 -5.5 3.8 19.1 -10.6 328 338 A G T < 5 + 0 0 67 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.830 51.4 168.9 67.8 29.3 3.4 19.3 -6.8 329 339 A E >>< - 0 0 108 -5,-2.9 3,-1.3 -6,-0.2 4,-0.9 -0.598 41.2-133.7 -77.5 136.3 1.6 15.9 -6.9 330 340 A I H >> S+ 0 0 129 -2,-0.3 4,-2.1 1,-0.3 3,-0.7 0.870 106.0 62.2 -54.9 -43.0 0.9 14.2 -3.6 331 341 A L H 3> S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.832 96.8 62.5 -53.6 -31.6 2.1 10.8 -5.0 332 342 A G H <> S+ 0 0 0 -3,-1.3 4,-2.3 -8,-0.2 -1,-0.2 0.922 105.8 41.8 -59.8 -45.1 5.5 12.6 -5.4 333 343 A A H S+ 0 0 0 -4,-2.1 5,-3.1 2,-0.2 6,-0.6 0.847 110.9 49.9 -67.2 -33.1 28.9 -5.2 9.2 355 365 A I H ><5S+ 0 0 2 -4,-1.9 3,-1.1 4,-0.2 -2,-0.2 0.936 110.3 50.2 -68.7 -44.9 29.3 -4.9 13.0 356 366 A S H 3<5S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 115.4 44.8 -60.2 -31.2 28.1 -8.5 13.4 357 367 A E T 3<5S- 0 0 122 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.463 112.5-119.1 -93.6 -3.2 30.6 -9.5 10.8 358 368 A G T < 5S+ 0 0 50 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.798 89.0 101.6 71.2 31.3 33.5 -7.4 12.2 359 369 A R >< + 0 0 107 -5,-3.1 4,-1.9 -6,-0.1 -4,-0.2 -0.023 35.1 114.6-134.3 29.0 33.8 -5.3 9.1 360 370 A F H > S+ 0 0 5 -6,-0.6 4,-3.2 2,-0.2 5,-0.2 0.918 73.6 58.9 -66.6 -44.1 32.0 -2.1 10.1 361 371 A S H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.6 42.8 -51.8 -44.0 35.2 -0.0 9.9 362 372 A Q H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.872 112.1 53.9 -71.8 -37.8 35.6 -1.0 6.3 363 373 A F H X S+ 0 0 27 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.938 109.4 48.6 -60.2 -46.5 31.9 -0.5 5.6 364 374 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.893 112.9 47.4 -59.9 -43.7 32.1 3.0 7.0 365 375 A Q H X S+ 0 0 115 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.939 115.3 44.2 -64.7 -48.6 35.2 3.8 4.9 366 376 A D H X S+ 0 0 89 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.882 111.6 54.9 -65.1 -37.7 33.7 2.5 1.7 367 377 A F H X S+ 0 0 10 -4,-2.8 4,-3.2 -5,-0.2 5,-0.3 0.959 111.0 44.0 -58.3 -55.7 30.4 4.2 2.5 368 378 A R H X S+ 0 0 74 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.867 109.9 55.9 -58.0 -43.3 32.0 7.6 2.8 369 379 A A H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.892 118.1 33.6 -59.9 -39.6 34.2 7.1 -0.3 370 380 A R H < S+ 0 0 94 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.910 115.6 54.3 -82.4 -46.2 31.2 6.5 -2.5 371 381 A Y H < 0 0 13 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.826 360.0 360.0 -58.5 -36.4 28.6 8.8 -0.8 372 382 A F < 0 0 146 -4,-2.0 -84,-0.1 -5,-0.3 0, 0.0 -0.723 360.0 360.0-100.0 360.0 30.9 11.8 -1.1