==== 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 1WKD . 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) . 15327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 71.8 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 . 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 37.1 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 1 1 1 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 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 2 0 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 0 246 0, 0.0 22,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -39.0 8.2 -10.4 26.2 2 12 A P - 0 0 44 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.270 360.0-116.8 -71.7 163.1 10.1 -8.4 28.8 3 13 A R S S- 0 0 69 1,-0.3 20,-0.4 19,-0.2 2,-0.2 0.824 95.2 -17.0 -66.6 -35.3 9.4 -4.7 29.6 4 14 A F + 0 0 26 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.735 66.9 165.4-173.4 126.9 12.9 -3.8 28.4 5 15 A S E -A 21 0A 46 16,-1.3 16,-2.7 -2,-0.2 2,-0.5 -0.889 16.2-160.3-151.9 113.9 16.0 -5.9 27.8 6 16 A F E -A 20 0A 31 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.863 11.1-177.5-102.6 125.2 19.1 -4.7 25.9 7 17 A S E -A 19 0A 52 12,-2.9 12,-2.3 -2,-0.5 2,-0.6 -0.977 17.8-147.7-127.6 123.0 21.5 -7.3 24.5 8 18 A I E +A 18 0A 47 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.773 16.1 179.4 -90.1 118.2 24.7 -6.5 22.6 9 19 A A E + 0 0 83 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.750 64.4 3.4 -89.0 -34.3 25.4 -9.2 20.0 10 20 A A E -A 17 0A 22 7,-2.1 7,-2.6 2,-0.0 2,-0.3 -0.996 58.5-162.2-153.7 153.1 28.6 -7.9 18.6 11 21 A R E -A 16 0A 123 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.936 8.8-179.9-135.1 158.6 31.1 -5.0 18.9 12 22 A E E > S-A 15 0A 42 3,-2.2 3,-1.6 -2,-0.3 2,-0.4 -0.731 72.7 -43.2-156.4 103.2 33.8 -3.5 16.8 13 23 A G T 3 S- 0 0 79 1,-0.3 251,-0.1 -2,-0.2 -1,-0.1 -0.601 123.9 -25.5 72.4-129.1 35.7 -0.6 18.4 14 24 A K T 3 S+ 0 0 94 249,-0.6 -1,-0.3 -2,-0.4 2,-0.2 0.498 120.8 98.3 -92.8 -10.1 33.1 1.6 20.1 15 25 A A E < +A 12 0A 2 -3,-1.6 -3,-2.2 248,-0.2 2,-0.3 -0.478 51.0 177.0 -76.4 148.7 30.4 0.4 17.8 16 26 A R E -A 11 0A 3 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.990 17.2-155.3-152.9 155.4 28.0 -2.3 18.8 17 27 A T E +A 10 0A 9 -7,-2.6 -8,-2.7 -2,-0.3 -7,-2.1 -0.987 35.0 114.1-132.9 142.1 25.0 -4.1 17.5 18 28 A G E -AB 8 29A 5 11,-1.6 11,-2.5 -2,-0.4 2,-0.3 -0.847 50.3 -83.5-171.3-148.7 22.2 -5.9 19.4 19 29 A T E -AB 7 28A 41 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.5 -0.982 12.0-146.2-147.2 152.0 18.6 -5.8 20.2 20 30 A I E -AB 6 27A 0 7,-2.2 7,-2.1 -2,-0.3 2,-0.5 -0.995 21.3-154.9-120.2 117.9 16.1 -4.1 22.6 21 31 A E E +AB 5 26A 68 -16,-2.7 -16,-1.3 -2,-0.5 2,-0.3 -0.839 21.5 165.4 -96.8 129.2 13.3 -6.4 23.6 22 32 A M E > - B 0 25A 3 3,-1.7 3,-1.2 -2,-0.5 -19,-0.2 -0.892 51.1 -98.7-135.9 166.4 10.1 -4.7 24.7 23 33 A K T 3 S+ 0 0 96 -20,-0.4 -20,-0.1 162,-0.3 3,-0.1 0.840 121.9 44.0 -56.1 -38.8 6.5 -5.9 25.2 24 34 A R T 3 S- 0 0 113 1,-0.2 2,-0.3 -21,-0.1 -1,-0.2 0.433 125.9 -48.1 -86.4 -6.8 5.4 -4.5 21.8 25 35 A G E < -B 22 0A 15 -3,-1.2 -3,-1.7 62,-0.2 2,-0.3 -0.886 57.7 -73.3 158.5 172.4 8.4 -5.8 19.7 26 36 A V E -B 21 0A 63 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.757 33.4-155.8 -97.7 143.3 12.1 -6.2 19.1 27 37 A I E -B 20 0A 0 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.3 -0.986 9.4-145.8-123.2 114.3 14.2 -3.2 18.1 28 38 A R E -B 19 0A 77 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.665 33.1-110.7 -81.1 130.9 17.4 -4.1 16.2 29 39 A T E S+B 18 0A 0 -11,-2.5 -11,-1.6 -2,-0.3 2,-0.2 -0.884 98.8 50.8-120.2 150.5 20.2 -1.6 17.0 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 238,-0.2 0.502 94.0-179.3 -55.6 137.9 21.9 0.7 15.7 31 41 A A E -c 268 0B 4 236,-3.1 238,-1.9 -2,-0.2 2,-0.5 -0.907 27.8-151.7-124.1 148.0 18.3 1.7 15.0 32 42 A F E -c 269 0B 3 -2,-0.3 23,-0.3 236,-0.2 24,-0.3 -0.987 12.5-152.9-122.0 131.0 16.8 4.6 13.2 33 43 A M E -c 270 0B 0 236,-2.7 238,-0.7 -2,-0.5 24,-0.2 -0.870 12.4-134.4-107.3 115.0 13.3 5.8 14.2 34 44 A P - 0 0 1 0, 0.0 24,-2.7 0, 0.0 2,-0.6 -0.326 29.2-117.1 -60.2 150.1 11.1 7.6 11.6 35 45 A V E -d 58 0B 5 236,-0.5 2,-0.8 22,-0.2 7,-0.5 -0.838 23.2-166.8 -98.2 122.3 9.5 10.6 13.1 36 46 A G E > +d 59 0B 3 22,-3.3 24,-0.8 -2,-0.6 3,-0.6 -0.875 10.7 178.5-105.9 97.9 5.7 10.7 13.4 37 47 A T T 3 S+ 0 0 32 -2,-0.8 2,-0.7 3,-0.6 23,-0.5 0.991 75.6 20.8 -64.0 -68.8 4.9 14.4 14.1 38 48 A A T 3 S- 0 0 44 2,-0.6 -1,-0.2 25,-0.1 3,-0.1 -0.487 131.3 -70.5-102.2 61.9 1.0 14.5 14.3 39 49 A A S < S+ 0 0 15 -2,-0.7 2,-0.3 -3,-0.6 -2,-0.1 0.884 118.8 81.7 55.9 38.3 0.4 10.9 14.9 40 50 A T S S- 0 0 62 5,-0.0 2,-0.8 6,-0.0 -3,-0.6 -0.826 79.4-126.6-169.6 135.3 1.4 10.0 11.4 41 51 A V > - 0 0 5 3,-0.4 3,-2.2 -5,-0.3 -5,-0.2 -0.796 63.1 -88.6 -84.5 110.5 4.8 9.5 9.7 42 52 A K T 3 S- 0 0 102 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 0.130 97.9 -12.2 -32.8 120.6 4.3 12.0 6.8 43 53 A A T 3 S+ 0 0 49 1,-0.1 2,-0.4 294,-0.1 -1,-0.3 0.573 111.0 107.1 63.7 16.8 2.7 10.5 3.7 44 54 A L < - 0 0 18 -3,-2.2 -3,-0.4 293,-0.1 -1,-0.1 -0.967 64.2-133.5-129.9 141.8 3.0 6.9 4.8 45 55 A K >> - 0 0 131 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.587 35.6-113.6 -79.0 153.7 0.6 4.3 6.1 46 56 A P H 3> S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.886 118.8 56.4 -58.1 -36.9 2.0 2.4 9.1 47 57 A E H 3> S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.891 105.6 51.4 -61.5 -34.1 2.2 -0.7 7.1 48 58 A T H <> S+ 0 0 32 -3,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.845 108.3 50.7 -70.5 -34.7 4.4 1.1 4.6 49 59 A V H <>S+ 0 0 2 -4,-1.7 5,-1.4 2,-0.2 4,-0.3 0.840 112.6 47.5 -68.7 -40.8 6.7 2.4 7.4 50 60 A R H ><5S+ 0 0 75 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.848 105.4 59.7 -68.4 -36.1 7.0 -1.2 8.7 51 61 A A H 3<5S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.900 97.2 58.9 -61.4 -36.9 7.7 -2.5 5.2 52 62 A T T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.618 126.6 -99.7 -68.8 -12.6 10.8 -0.3 5.0 53 63 A G T < 5 + 0 0 18 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.385 67.6 155.0 112.1 -0.4 12.1 -2.1 8.0 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.339 21.4-175.7 -62.8 132.8 11.4 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 0.583 71.1 13.3-102.5 -17.6 11.0 -1.4 14.2 56 66 A I - 0 0 0 -24,-0.3 2,-0.3 31,-0.1 -1,-0.3 -0.974 64.0-154.8-153.3 154.1 10.0 1.7 16.2 57 67 A I E - e 0 89B 3 31,-1.0 33,-2.2 -2,-0.3 2,-0.4 -0.878 21.5-117.2-129.8 165.1 8.8 5.2 15.4 58 68 A L E -de 35 90B 5 -24,-2.7 -22,-3.3 -2,-0.3 2,-0.3 -0.893 22.4-156.8-108.2 136.3 9.1 8.5 17.4 59 69 A G E -de 36 91B 5 31,-2.9 33,-2.5 -2,-0.4 2,-0.5 -0.831 16.5-124.6-111.0 150.3 6.0 10.4 18.6 60 70 A N > - 0 0 12 -24,-0.8 4,-1.3 -23,-0.5 -21,-0.1 -0.814 15.1-169.0 -97.4 126.7 5.9 14.1 19.5 61 71 A T H > S+ 0 0 0 -2,-0.5 4,-0.9 31,-0.3 9,-0.1 0.778 88.8 45.3 -84.6 -29.4 4.6 15.2 23.0 62 72 A Y H >> S+ 0 0 0 2,-0.2 4,-1.4 3,-0.1 3,-0.9 0.979 117.3 43.1 -72.7 -70.7 4.3 18.9 22.3 63 73 A H H >> S+ 0 0 34 1,-0.3 4,-2.2 2,-0.2 3,-1.1 0.894 117.0 45.7 -37.9 -63.4 2.6 18.5 18.9 64 74 A L H 3<>S+ 0 0 0 -4,-1.3 5,-2.4 -27,-0.3 -1,-0.3 0.765 107.0 58.9 -58.0 -28.6 0.2 15.8 20.1 65 75 A M H <<5S+ 0 0 19 -3,-0.9 -1,-0.3 -4,-0.9 5,-0.2 0.823 111.1 41.4 -71.9 -28.9 -0.7 17.6 23.3 66 76 A L H <<5S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-1.1 -1,-0.2 0.836 117.3 52.1 -84.8 -42.7 -2.0 20.6 21.3 67 77 A R T <5S- 0 0 151 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.0 -0.960 133.4 -13.5-144.5 124.4 -3.7 18.5 18.6 68 78 A P T 5S- 0 0 43 0, 0.0 4,-0.2 0, 0.0 -3,-0.1 -0.954 104.4-118.3 -93.6 3.4 -5.7 16.3 19.2 69 79 A G >< - 0 0 11 -5,-2.4 4,-2.4 -6,-0.2 -4,-0.2 0.311 11.1-107.6 105.2 133.0 -4.7 16.3 22.9 70 80 A A H > S+ 0 0 0 1,-0.2 4,-2.4 -5,-0.2 5,-0.2 0.906 119.4 47.9 -54.1 -51.6 -3.1 13.7 25.2 71 81 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 110.6 53.6 -59.6 -43.9 -6.3 13.1 27.1 72 82 A R H > S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.940 109.0 47.2 -56.5 -50.2 -8.2 12.8 23.9 73 83 A I H X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-1.0 0.915 110.7 52.4 -59.1 -43.9 -5.9 10.1 22.5 74 84 A A H ><5S+ 0 0 34 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.948 108.6 50.7 -55.9 -49.9 -6.0 8.2 25.7 75 85 A K H 3<5S+ 0 0 177 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 109.5 51.7 -56.8 -35.4 -9.8 8.2 25.6 76 86 A L H 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.585 133.5 -87.7 -79.5 -13.5 -9.6 6.9 22.0 77 87 A G T <<5S- 0 0 52 -3,-1.4 4,-0.5 -4,-1.0 -3,-0.2 0.465 72.1 -66.9 120.8 5.1 -7.4 4.1 23.1 78 88 A G >< - 0 0 10 -5,-3.0 4,-2.6 -6,-0.2 60,-0.2 -0.078 58.8 -73.7 98.6 156.2 -3.9 5.3 22.9 79 89 A L H > S+ 0 0 1 58,-2.3 4,-3.2 1,-0.2 5,-0.4 0.913 124.8 57.6 -54.5 -48.3 -1.5 6.5 20.2 80 90 A H H >>S+ 0 0 13 57,-0.5 4,-2.0 1,-0.2 5,-2.0 0.931 114.0 35.9 -49.8 -57.3 -0.9 3.0 18.9 81 91 A S H 45S+ 0 0 88 -4,-0.5 -1,-0.2 3,-0.2 -2,-0.2 0.860 116.9 56.7 -63.8 -39.5 -4.5 2.1 18.2 82 92 A F H <5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.5 27.5 -60.4 -49.5 -5.2 5.7 17.1 83 93 A M H <5S- 0 0 32 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.631 108.0-114.4 -92.1 -14.9 -2.5 5.7 14.4 84 94 A G T <5S+ 0 0 51 -4,-2.0 2,-0.6 -5,-0.4 -3,-0.2 0.834 70.9 131.8 86.3 29.8 -2.4 2.1 13.5 85 95 A W < + 0 0 6 -5,-2.0 -1,-0.3 -6,-0.3 -2,-0.2 -0.958 28.1 177.6-116.9 113.6 1.1 1.4 14.7 86 96 A D + 0 0 122 -2,-0.6 -1,-0.1 -3,-0.1 3,-0.1 0.454 55.4 78.8 -97.7 0.8 1.3 -1.7 16.9 87 97 A R S S- 0 0 66 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.365 97.7 -55.2 -96.3 179.9 5.0 -1.9 17.6 88 98 A P - 0 0 0 0, 0.0 -31,-1.0 0, 0.0 2,-0.4 -0.135 47.9-162.4 -57.4 154.8 7.0 0.3 20.1 89 99 A I E -e 57 0B 0 -33,-0.2 52,-1.8 49,-0.1 51,-1.4 -0.993 6.0-154.1-136.6 133.6 6.8 4.1 20.0 90 100 A L E -ef 58 141B 0 -33,-2.2 -31,-2.9 -2,-0.4 2,-0.4 -0.945 16.4-153.2-107.8 135.9 9.4 6.4 21.7 91 101 A T E -ef 59 142B 0 50,-2.2 52,-1.0 -2,-0.4 -31,-0.2 -0.945 10.1-128.1-118.4 133.2 7.9 9.8 22.5 92 102 A A - 0 0 10 -33,-2.5 -31,-0.3 -2,-0.4 53,-0.1 -0.339 24.2-119.7 -66.3 158.2 9.9 13.1 22.9 93 103 A S - 0 0 7 51,-0.3 -1,-0.1 -32,-0.1 41,-0.1 0.694 35.8-126.0 -74.4 -23.5 9.4 15.0 26.1 94 104 A G S > S+ 0 0 0 -33,-0.0 4,-2.0 31,-0.0 5,-0.1 0.064 82.1 109.4 100.7 -22.7 8.1 18.0 24.3 95 105 A G H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.822 75.7 49.8 -54.4 -39.8 10.6 20.4 25.8 96 106 A Y H > S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.926 112.6 44.8 -68.6 -46.4 12.7 20.9 22.7 97 107 A Q H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 3,-0.5 0.810 107.3 60.6 -69.3 -29.0 9.7 21.8 20.4 98 108 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.989 107.2 45.2 -59.2 -54.7 8.2 24.0 23.1 99 109 A M H < S+ 0 0 79 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.597 122.3 38.5 -65.1 -11.7 11.3 26.2 23.0 100 110 A S H < S+ 0 0 61 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.705 128.5 24.1-111.9 -27.0 11.4 26.2 19.2 101 111 A L H < S+ 0 0 73 -4,-3.1 2,-0.3 -3,-0.1 -3,-0.2 0.450 98.7 96.8-119.8 -4.3 7.7 26.4 18.1 102 112 A S < - 0 0 21 -4,-2.2 3,-0.4 -5,-0.4 2,-0.2 -0.669 66.2-128.6 -92.1 148.0 6.0 28.0 21.1 103 113 A S E S+K 115 0C 60 12,-2.5 12,-2.3 -2,-0.3 -2,-0.1 -0.614 83.4 0.8 -90.3 149.6 5.2 31.7 21.4 104 114 A L E S- 0 0 122 -2,-0.2 -1,-0.2 10,-0.2 2,-0.1 0.862 80.4-159.4 37.2 66.7 6.2 33.6 24.6 105 115 A T E - 0 0 61 -3,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.463 4.1-156.7 -72.9 141.9 8.0 30.8 26.5 106 116 A K E -K 113 0C 111 7,-3.2 7,-2.0 -2,-0.1 2,-0.3 -0.949 5.7-157.8-126.6 108.0 8.4 31.2 30.2 107 117 A Q E +K 112 0C 82 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.639 25.2 146.8 -87.6 142.4 11.2 29.2 31.9 108 118 A S E > -K 111 0C 27 3,-1.5 3,-0.6 -2,-0.3 -2,-0.0 -0.955 59.8 -97.7-162.4 167.2 11.1 28.5 35.7 109 119 A E T 3 S+ 0 0 71 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.780 121.6 54.0 -64.5 -27.9 12.2 25.7 38.1 110 120 A E T 3 S- 0 0 137 1,-0.2 2,-0.3 16,-0.1 -1,-0.2 0.771 124.6 -83.6 -77.2 -27.7 8.7 24.2 38.0 111 121 A G E < -K 108 0C 2 -3,-0.6 -3,-1.5 15,-0.2 2,-0.4 -0.986 55.0 -54.9 159.6-150.3 8.6 23.9 34.3 112 122 A V E -KL 107 125C 4 13,-3.1 13,-2.6 -2,-0.3 2,-0.4 -0.985 31.2-157.2-132.2 140.0 7.8 26.0 31.2 113 123 A T E +KL 106 124C 54 -7,-2.0 -7,-3.2 -2,-0.4 2,-0.3 -0.912 27.8 158.7-111.6 142.2 4.7 28.0 30.3 114 124 A F E - 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0 0 19 -238,-0.7 -236,-0.5 -2,-0.3 4,-0.3 -0.941 40.2-140.4-170.6 147.9 15.5 12.7 12.4 272 282 A V S > S+ 0 0 51 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.555 80.5 97.1 -89.2 -10.3 12.9 14.4 10.2 273 283 A L H >>S+ 0 0 38 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.886 78.4 49.9 -47.1 -58.0 15.3 14.6 7.2 274 284 A P H >5S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.939 120.0 36.8 -51.9 -49.6 14.2 11.5 5.2 275 285 A T H >5S+ 0 0 9 -4,-0.3 4,-1.8 2,-0.2 5,-0.2 0.976 121.3 48.1 -64.1 -51.9 10.5 12.5 5.4 276 286 A R H X5S+ 0 0 158 -4,-3.3 4,-1.4 1,-0.2 -3,-0.2 0.895 113.1 43.9 -53.9 -57.3 11.3 16.3 5.0 277 287 A S H X>S+ 0 0 8 -4,-3.3 5,-2.2 1,-0.2 4,-1.3 0.848 107.1 63.8 -60.2 -34.9 13.7 16.1 2.1 278 288 A G H >< - 0 0 3 3,-0.4 3,-1.5 -2,-0.3 20,-0.1 -0.903 50.9-102.1-139.8 167.6 21.2 7.3 -2.8 286 296 A W T 3 S+ 0 0 10 -2,-0.3 19,-0.1 1,-0.3 -2,-0.0 0.610 121.3 56.3 -68.4 -12.1 24.5 5.5 -2.1 287 297 A D T 3 S- 0 0 98 1,-0.5 -1,-0.3 84,-0.1 84,-0.1 0.024 128.1 -75.5-107.1 26.2 26.2 8.0 -4.3 288 298 A G < - 0 0 5 -3,-1.5 -1,-0.5 2,-0.0 -3,-0.4 -0.274 67.7 -56.3 103.7 166.7 25.1 11.1 -2.5 289 299 A P - 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0 0 22 -3,-1.2 19,-2.1 1,-0.1 20,-0.2 -0.724 36.8-169.5 -85.3 118.1 16.0 9.1 -16.8 301 311 A L + 0 0 130 -2,-0.6 -1,-0.1 17,-0.2 -4,-0.0 0.456 53.1 104.9 -87.0 -2.5 14.4 5.6 -16.7 302 312 A K S S- 0 0 101 15,-0.1 16,-2.5 1,-0.1 17,-0.2 -0.478 77.9-104.8 -78.4 152.6 16.6 4.3 -13.8 303 313 A P - 0 0 30 0, 0.0 3,-0.3 0, 0.0 14,-0.1 -0.188 41.7 -92.7 -69.1 168.4 15.1 4.0 -10.2 304 314 A L S S+ 0 0 0 12,-0.3 2,-0.3 1,-0.3 13,-0.1 0.812 116.8 7.6 -51.7 -34.1 16.0 6.6 -7.5 305 315 A D > - 0 0 3 3,-0.2 3,-1.3 -20,-0.1 -1,-0.3 -0.883 69.2-146.0-152.1 119.2 18.8 4.2 -6.5 306 316 A S T 3 S+ 0 0 87 -2,-0.3 -2,-0.1 -3,-0.3 -21,-0.0 0.560 101.0 44.9 -65.8 -8.1 19.8 1.1 -8.5 307 317 A E T 3 S+ 0 0 95 -4,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.540 88.2 106.7-110.2 -6.3 20.8 -0.9 -5.4 308 318 A C < - 0 0 1 -3,-1.3 -3,-0.2 1,-0.1 35,-0.1 -0.570 53.3-160.6 -78.2 126.9 17.8 0.1 -3.3 309 319 A H + 0 0 145 -2,-0.4 -1,-0.1 33,-0.1 -3,-0.1 0.253 46.9 126.8 -91.8 14.6 15.2 -2.7 -2.9 310 320 A C S > S- 0 0 11 1,-0.1 4,-1.3 29,-0.1 3,-0.3 -0.339 72.7-109.0 -74.4 162.3 12.3 -0.4 -1.9 311 321 A A H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.717 115.7 55.1 -58.5 -29.2 8.9 -0.5 -3.6 312 322 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 110.9 41.8 -74.8 -44.1 9.4 2.8 -5.2 313 323 A C H 4 S+ 0 0 11 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.663 113.9 55.1 -75.8 -18.1 12.7 1.9 -7.0 314 324 A Q H < S+ 0 0 112 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.736 123.5 23.0 -85.4 -23.0 11.3 -1.5 -7.9 315 325 A K H < S+ 0 0 145 -4,-1.0 2,-0.3 -5,-0.2 -2,-0.2 0.659 116.1 47.9-119.6 -16.2 8.3 0.0 -9.6 316 326 A W < - 0 0 87 -4,-2.6 -12,-0.3 -5,-0.1 2,-0.2 -0.915 63.4-130.8-129.9 157.8 8.9 3.6 -10.8 317 327 A S > - 0 0 22 -2,-0.3 4,-2.0 -14,-0.1 3,-0.2 -0.642 28.5-112.9-100.8 163.7 11.6 5.6 -12.6 318 328 A R H > S+ 0 0 34 -16,-2.5 4,-2.7 -2,-0.2 -17,-0.2 0.813 115.3 60.2 -59.7 -35.4 13.3 8.9 -11.8 319 329 A A H > S+ 0 0 18 -19,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.923 106.9 43.7 -60.9 -46.5 11.5 10.5 -14.7 320 330 A Y H > S+ 0 0 85 -3,-0.2 4,-2.9 -20,-0.2 3,-0.2 0.978 116.9 45.2 -64.5 -54.8 8.1 9.8 -13.4 321 331 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.878 110.1 56.1 -57.9 -36.9 8.9 10.9 -9.8 322 332 A H H X S+ 0 0 16 -4,-2.7 4,-2.2 -25,-0.2 -1,-0.3 0.948 111.8 44.1 -56.8 -47.2 10.7 13.9 -11.2 323 333 A H H X S+ 0 0 102 -4,-2.0 4,-2.3 -3,-0.2 6,-0.2 0.915 110.9 53.5 -62.8 -50.0 7.4 14.7 -12.9 324 334 A L H X>S+ 0 0 5 -4,-2.9 5,-2.4 1,-0.2 4,-0.7 0.947 112.6 43.2 -52.1 -54.9 5.3 14.0 -9.9 325 335 A I H ><5S+ 0 0 13 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.865 114.3 49.4 -63.5 -40.4 7.3 16.3 -7.7 326 336 A R H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.834 110.9 50.8 -70.4 -26.4 7.5 19.1 -10.2 327 337 A A H 3<5S- 0 0 55 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.584 113.4-121.6 -82.3 -11.9 3.7 18.8 -10.7 328 338 A G T <<5 + 0 0 62 -4,-0.7 -3,-0.2 -3,-0.5 2,-0.1 0.645 52.5 166.7 78.6 20.3 3.2 19.0 -7.0 329 339 A E >>< - 0 0 108 -5,-2.4 3,-1.2 -6,-0.2 4,-0.9 -0.402 44.3-133.5 -74.4 140.4 1.4 15.7 -6.9 330 340 A I H >> S+ 0 0 128 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.881 103.6 65.6 -55.4 -40.2 0.9 14.0 -3.6 331 341 A L H 3> S+ 0 0 52 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.754 96.0 57.4 -56.5 -28.6 2.2 10.7 -5.0 332 342 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 -8,-0.2 -1,-0.3 0.886 106.8 46.7 -69.5 -40.0 5.6 12.2 -5.4 333 343 A A H S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.2 6,-0.5 0.909 111.4 48.3 -63.8 -37.4 29.1 -5.1 9.1 355 365 A I H ><5S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.959 109.9 50.7 -67.2 -47.9 29.5 -4.8 12.9 356 366 A S H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 114.9 46.2 -56.0 -31.5 28.4 -8.4 13.4 357 367 A E T 3<5S- 0 0 122 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.355 112.6-117.1 -94.3 1.9 31.0 -9.4 10.8 358 368 A G T < 5S+ 0 0 52 -3,-1.7 -3,-0.2 -4,-0.4 -4,-0.1 0.810 90.1 101.8 67.5 29.8 33.8 -7.3 12.2 359 369 A R >< + 0 0 104 -5,-2.9 4,-1.9 -6,-0.2 -4,-0.2 -0.061 34.3 113.7-132.3 30.6 34.0 -5.1 9.0 360 370 A F H > S+ 0 0 5 -6,-0.5 4,-3.0 2,-0.2 5,-0.3 0.899 75.9 57.6 -70.0 -38.1 32.2 -1.9 10.1 361 371 A S H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 110.2 44.0 -59.7 -39.8 35.4 0.2 9.9 362 372 A Q H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.893 112.6 52.3 -72.6 -37.6 35.8 -0.9 6.2 363 373 A F H X S+ 0 0 26 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.901 109.4 48.5 -62.4 -45.3 32.1 -0.2 5.5 364 374 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.919 113.5 49.1 -61.7 -41.5 32.2 3.3 7.0 365 375 A Q H X S+ 0 0 110 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.941 115.7 41.5 -63.2 -48.9 35.3 3.9 4.9 366 376 A D H X S+ 0 0 86 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.903 112.3 56.1 -67.8 -38.0 33.7 2.6 1.7 367 377 A F H X S+ 0 0 10 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.938 111.0 43.1 -56.5 -53.7 30.4 4.3 2.5 368 378 A R H X S+ 0 0 74 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.802 110.3 56.9 -62.1 -37.8 32.1 7.8 2.8 369 379 A A H < S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.889 117.1 32.6 -64.3 -40.2 34.2 7.2 -0.3 370 380 A R H < S+ 0 0 101 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.872 115.6 55.4 -85.3 -39.8 31.2 6.6 -2.5 371 381 A Y H < 0 0 15 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.802 360.0 360.0 -63.3 -30.9 28.7 8.9 -0.9 372 382 A F < 0 0 152 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.771 360.0 360.0-106.2 360.0 30.9 11.9 -1.2