==== 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 1WKE . 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) . 15444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.5 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 . 5 1.3 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 . 18 4.8 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 . 137 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 0 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 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 . 1 2 1 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 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,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 -35.7 7.8 -10.3 26.1 2 12 A P - 0 0 45 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.276 360.0-117.6 -73.3 168.7 9.7 -8.4 28.7 3 13 A R S S- 0 0 70 1,-0.3 20,-0.4 19,-0.2 2,-0.2 0.865 96.2 -12.0 -70.0 -39.3 9.0 -4.8 29.6 4 14 A F + 0 0 28 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.848 66.7 163.2-166.4 127.7 12.6 -3.8 28.5 5 15 A S E -A 21 0A 47 16,-1.3 16,-2.6 -2,-0.2 2,-0.6 -0.910 14.7-164.3-150.6 116.8 15.7 -5.9 27.7 6 16 A F E -A 20 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.920 10.6-178.6-108.5 123.6 18.7 -4.7 25.8 7 17 A S E -A 19 0A 53 12,-2.8 12,-2.3 -2,-0.6 2,-0.7 -0.979 18.3-149.3-122.6 129.7 21.2 -7.4 24.5 8 18 A I E +A 18 0A 40 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.873 15.3 179.8 -95.8 115.2 24.4 -6.6 22.6 9 19 A A E + 0 0 87 8,-1.8 2,-0.3 -2,-0.7 9,-0.2 0.760 64.8 5.4 -87.2 -29.6 25.1 -9.5 20.2 10 20 A A E -A 17 0A 25 7,-2.0 7,-2.4 2,-0.0 2,-0.3 -0.990 59.6-161.0-152.3 159.7 28.3 -8.1 18.7 11 21 A R E -A 16 0A 136 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.982 10.0-177.9-141.4 153.8 30.8 -5.3 19.0 12 22 A E E > S-A 15 0A 47 3,-2.2 3,-1.9 -2,-0.3 2,-0.2 -0.826 72.5 -46.7-151.2 105.6 33.6 -3.7 16.9 13 23 A G T 3 S- 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 251,-0.1 -0.515 124.3 -23.0 66.4-128.8 35.5 -0.9 18.6 14 24 A K T 3 S+ 0 0 95 249,-0.6 -1,-0.3 -2,-0.2 2,-0.1 0.580 121.0 99.8 -87.4 -12.9 32.9 1.3 20.3 15 25 A A E < +A 12 0A 1 -3,-1.9 -3,-2.2 248,-0.2 2,-0.3 -0.428 49.9 177.9 -74.5 146.1 30.2 0.2 17.9 16 26 A R E -A 11 0A 6 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.996 17.9-158.1-150.5 152.7 27.7 -2.4 18.8 17 27 A T E +A 10 0A 8 -7,-2.4 -7,-2.0 -2,-0.3 -8,-1.8 -0.979 35.6 112.7-129.1 145.7 24.7 -4.2 17.4 18 28 A G E -AB 8 29A 6 11,-1.6 11,-2.7 -2,-0.4 2,-0.3 -0.869 50.6 -86.1-173.8-149.9 22.0 -6.0 19.3 19 29 A T E -AB 7 28A 43 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.5 -0.982 11.2-144.4-146.4 156.6 18.3 -5.8 20.1 20 30 A I E -AB 6 27A 0 7,-2.5 7,-2.9 -2,-0.3 2,-0.5 -0.995 20.5-154.4-120.8 122.2 15.9 -4.2 22.6 21 31 A E E +AB 5 26A 70 -16,-2.6 -16,-1.3 -2,-0.5 2,-0.3 -0.873 21.8 164.8 -99.5 131.1 12.9 -6.4 23.5 22 32 A M E > - B 0 25A 3 3,-2.0 3,-1.1 -2,-0.5 -19,-0.2 -0.887 51.8 -98.3-136.1 166.9 9.7 -4.7 24.6 23 33 A K T 3 S+ 0 0 101 -20,-0.4 -20,-0.1 162,-0.4 3,-0.1 0.812 122.8 45.0 -57.4 -34.8 6.2 -5.9 25.0 24 34 A R T 3 S- 0 0 109 1,-0.2 2,-0.3 -21,-0.2 -1,-0.2 0.478 126.2 -53.2 -88.5 -7.0 5.1 -4.4 21.6 25 35 A G E < -B 22 0A 15 -3,-1.1 -3,-2.0 62,-0.2 2,-0.4 -0.919 56.3 -69.8 158.2 177.6 8.1 -5.7 19.7 26 36 A V E -B 21 0A 65 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.833 33.9-155.4-102.6 139.0 11.8 -6.2 19.1 27 37 A I E -B 20 0A 0 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.4 -0.964 9.4-145.4-115.6 122.1 14.0 -3.3 18.1 28 38 A R E -B 19 0A 79 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.775 32.4-109.6 -87.0 136.8 17.2 -4.1 16.2 29 39 A T E S+B 18 0A 0 -11,-2.7 -11,-1.6 -2,-0.4 2,-0.1 -0.903 98.7 49.6-123.3 147.1 20.1 -1.7 17.0 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 238,-0.2 0.448 92.5-176.9 -60.7 140.3 21.7 0.5 15.7 31 41 A A E -c 268 0B 3 236,-2.7 238,-1.6 -2,-0.1 2,-0.5 -0.893 27.6-153.0-120.9 146.7 18.2 1.7 14.9 32 42 A F E -c 269 0B 2 -2,-0.4 23,-0.4 236,-0.2 24,-0.4 -0.972 14.8-154.2-115.2 134.5 16.7 4.6 13.0 33 43 A M E -c 270 0B 0 236,-2.2 238,-0.7 -2,-0.5 24,-0.2 -0.951 11.6-136.0-112.6 116.6 13.3 5.8 14.1 34 44 A P E -c 271 0B 1 0, 0.0 24,-2.7 0, 0.0 2,-0.5 -0.474 29.4-115.2 -65.9 143.9 11.1 7.6 11.6 35 45 A V E -d 58 0B 5 236,-0.5 2,-0.7 22,-0.2 7,-0.5 -0.711 24.1-167.7 -91.2 124.8 9.4 10.7 13.0 36 46 A G E +d 59 0B 3 22,-3.2 24,-1.4 -2,-0.5 3,-0.5 -0.912 11.0 177.4-109.1 102.0 5.7 10.9 13.4 37 47 A T S S+ 0 0 23 3,-0.8 23,-0.5 -2,-0.7 2,-0.5 0.996 76.1 17.9 -69.2 -67.4 4.9 14.5 14.2 38 48 A A S S- 0 0 54 2,-0.5 -1,-0.2 25,-0.1 3,-0.1 -0.464 132.4 -67.8-105.9 57.5 1.0 14.8 14.4 39 49 A A S S+ 0 0 16 -3,-0.5 2,-0.3 -2,-0.5 -2,-0.1 0.838 118.1 81.8 62.2 34.6 0.3 11.0 14.9 40 50 A T S S- 0 0 61 5,-0.0 -3,-0.8 6,-0.0 2,-0.8 -0.918 78.8-126.8-164.5 141.4 1.5 10.3 11.4 41 51 A V B > -K 44 0C 4 3,-0.5 3,-2.2 -2,-0.3 -5,-0.2 -0.868 62.4 -91.6 -89.6 111.5 4.8 9.7 9.6 42 52 A K T 3 S- 0 0 113 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 0.053 97.1 -11.4 -33.2 119.0 4.3 12.3 6.8 43 53 A A T 3 S+ 0 0 45 1,-0.1 2,-0.4 294,-0.1 -1,-0.3 0.544 111.7 102.9 64.2 16.9 2.7 10.9 3.7 44 54 A L B < -K 41 0C 16 -3,-2.2 -3,-0.5 293,-0.1 -1,-0.1 -0.988 66.3-131.2-132.3 136.5 3.0 7.2 4.7 45 55 A K >> - 0 0 131 -2,-0.4 4,-1.7 1,-0.1 3,-1.0 -0.501 36.3-112.6 -73.8 151.6 0.5 4.6 6.0 46 56 A P H 3> S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.849 119.0 58.2 -53.6 -39.4 1.9 2.7 9.1 47 57 A E H 3> S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.840 105.6 50.0 -61.3 -32.6 2.1 -0.5 7.0 48 58 A T H <> S+ 0 0 28 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.861 108.1 51.6 -74.6 -35.1 4.4 1.3 4.6 49 59 A V H <>S+ 0 0 2 -4,-1.7 5,-1.4 2,-0.2 3,-0.3 0.917 113.3 45.2 -64.9 -42.6 6.6 2.6 7.4 50 60 A R H ><5S+ 0 0 77 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.880 106.9 60.3 -67.5 -37.1 6.9 -1.0 8.6 51 61 A A H 3<5S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 97.3 58.7 -60.8 -30.2 7.5 -2.3 5.1 52 62 A T T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.534 127.9 -97.9 -77.4 -8.2 10.6 -0.1 4.8 53 63 A G T < 5 + 0 0 19 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.372 68.9 154.2 111.6 -4.5 12.0 -2.0 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.293 22.5-176.3 -63.5 134.1 11.2 0.3 10.7 55 65 A D S S+ 0 0 8 -23,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.584 72.6 13.3-101.9 -17.3 10.9 -1.4 14.1 56 66 A I - 0 0 0 -24,-0.4 -1,-0.3 31,-0.1 2,-0.3 -0.981 63.6-155.7-156.4 151.3 9.9 1.8 16.1 57 67 A I E - e 0 89B 2 31,-1.2 33,-2.3 -2,-0.3 2,-0.4 -0.839 22.4-115.9-125.5 164.5 8.8 5.3 15.3 58 68 A L E -de 35 90B 3 -24,-2.7 -22,-3.2 -2,-0.3 2,-0.4 -0.868 23.0-151.6-104.6 133.6 9.0 8.5 17.3 59 69 A G E -de 36 91B 5 31,-3.4 33,-1.9 -2,-0.4 2,-0.6 -0.851 16.0-125.5-104.9 145.4 5.9 10.3 18.4 60 70 A N > - 0 0 5 -24,-1.4 4,-1.5 -23,-0.5 -21,-0.1 -0.792 20.8-173.6 -95.5 119.9 5.8 14.1 19.0 61 71 A T H > S+ 0 0 0 -2,-0.6 4,-0.9 2,-0.2 -1,-0.1 0.704 80.9 50.8 -85.1 -26.2 4.6 15.1 22.4 62 72 A Y H > S+ 0 0 0 2,-0.2 4,-1.2 3,-0.1 5,-0.2 0.927 114.2 45.0 -77.5 -48.4 4.4 18.9 22.0 63 73 A H H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.905 113.5 48.6 -62.4 -47.6 2.3 18.6 18.8 64 74 A L H <>S+ 0 0 0 -4,-1.5 5,-2.2 -27,-0.3 -1,-0.2 0.793 104.6 58.7 -67.6 -29.5 -0.0 16.0 20.1 65 75 A M H <5S+ 0 0 21 -4,-0.9 5,-0.3 4,-0.2 -1,-0.2 0.853 114.3 39.2 -71.1 -26.3 -0.7 17.8 23.4 66 76 A L H <5S+ 0 0 23 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.928 117.3 51.3 -84.5 -49.8 -2.0 20.7 21.3 67 77 A R T <5S- 0 0 164 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 -0.975 133.2 -11.7-139.9 124.7 -3.8 18.7 18.6 68 78 A P T 5S- 0 0 41 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 -0.985 106.0-117.6 -87.3 0.4 -5.8 16.6 19.1 69 79 A G >< - 0 0 13 -5,-2.2 4,-1.9 -6,-0.1 -4,-0.2 0.030 11.9-107.1 111.9 139.8 -4.8 16.6 22.8 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.904 118.9 50.2 -63.7 -45.1 -3.2 13.9 25.1 71 81 A E H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 110.1 50.6 -60.8 -44.1 -6.4 13.4 27.0 72 82 A R H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 109.6 50.0 -61.7 -43.7 -8.5 12.9 23.8 73 83 A I H X>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.5 0.943 110.5 49.9 -60.8 -47.1 -6.0 10.4 22.4 74 84 A A H ><5S+ 0 0 33 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.947 110.3 50.4 -56.5 -47.5 -6.1 8.4 25.6 75 85 A K H 3<5S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.4 53.4 -57.6 -37.8 -9.9 8.5 25.5 76 86 A L H 3<5S- 0 0 89 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.494 134.3 -87.7 -76.3 -7.8 -9.8 7.3 21.9 77 87 A G T <<5S- 0 0 51 -3,-1.9 4,-0.3 -4,-0.5 -3,-0.2 0.441 72.0 -68.2 116.9 1.1 -7.6 4.3 23.0 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.1 -6,-0.2 60,-0.2 -0.201 59.6 -72.2 101.5 163.6 -4.1 5.6 22.9 79 89 A L H > S+ 0 0 2 58,-2.7 4,-2.9 1,-0.2 5,-0.3 0.881 124.8 56.5 -63.2 -41.1 -1.7 6.6 20.1 80 90 A H H >>S+ 0 0 14 57,-0.5 5,-1.5 1,-0.2 4,-1.2 0.912 114.8 38.1 -57.3 -49.7 -1.1 3.1 18.7 81 91 A S H 45S+ 0 0 86 -4,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.846 115.5 55.5 -69.2 -39.7 -4.7 2.4 18.1 82 92 A F H <5S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.942 120.5 26.8 -60.9 -50.9 -5.3 6.0 17.0 83 93 A M H <5S- 0 0 31 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.548 108.1-113.7 -93.2 -9.8 -2.7 6.0 14.2 84 94 A G T <5S+ 0 0 53 -4,-1.2 2,-0.5 -5,-0.3 -3,-0.2 0.805 71.3 130.6 83.5 27.6 -2.7 2.3 13.4 85 95 A W < + 0 0 7 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.968 28.4 178.2-116.0 114.6 0.9 1.5 14.6 86 96 A D + 0 0 125 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.343 55.1 82.9 -99.0 4.3 1.1 -1.6 16.9 87 97 A R S S- 0 0 67 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.415 96.1 -57.4 -97.2 176.3 4.8 -1.7 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.2 0, 0.0 2,-0.4 -0.190 47.9-162.9 -57.7 151.2 6.8 0.4 19.9 89 99 A I E -e 57 0B 0 -33,-0.2 51,-2.2 49,-0.1 52,-1.8 -1.000 7.0-153.3-135.0 130.2 6.7 4.2 19.9 90 100 A L E -ef 58 141B 0 -33,-2.3 -31,-3.4 -2,-0.4 2,-0.4 -0.912 14.7-153.8-102.7 129.2 9.2 6.5 21.6 91 101 A T E -ef 59 142B 0 50,-2.1 52,-0.8 -2,-0.5 -31,-0.2 -0.906 11.1-131.2-107.8 134.6 7.8 9.9 22.6 92 102 A D - 0 0 21 -33,-1.9 -31,-0.1 -2,-0.4 51,-0.1 -0.348 25.7-116.6 -72.1 161.7 10.0 13.0 22.9 93 103 A S - 0 0 4 51,-0.2 -1,-0.1 49,-0.1 52,-0.1 0.664 37.5-124.7 -76.9 -17.8 9.4 15.0 26.2 94 104 A G S > S+ 0 0 0 51,-0.0 4,-1.8 4,-0.0 5,-0.1 0.184 81.6 110.9 96.2 -17.7 8.2 18.0 24.3 95 105 A G H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.845 74.2 50.2 -57.9 -41.7 10.7 20.4 25.9 96 106 A Y H > S+ 0 0 126 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.944 112.5 44.1 -65.6 -49.3 12.7 21.0 22.8 97 107 A Q H > S+ 0 0 28 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.793 107.6 60.8 -70.3 -25.7 9.8 21.9 20.4 98 108 A V H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.986 108.2 43.6 -62.0 -52.1 8.2 24.1 23.1 99 109 A M H < S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.607 122.5 40.3 -68.7 -11.0 11.4 26.3 23.1 100 110 A S H < S+ 0 0 64 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.718 128.5 21.9-109.7 -28.2 11.5 26.2 19.3 101 111 A L H < S+ 0 0 71 -4,-3.1 2,-0.3 -5,-0.1 -3,-0.2 0.424 99.5 95.7-120.9 -4.3 7.8 26.5 18.1 102 112 A S < - 0 0 21 -4,-2.0 3,-0.4 -5,-0.5 2,-0.3 -0.663 67.2-125.6 -94.5 151.0 6.0 28.1 21.1 103 113 A S E S+L 115 0D 59 12,-2.5 12,-2.5 -2,-0.3 -2,-0.1 -0.659 83.1 0.5 -91.8 146.9 5.3 31.8 21.6 104 114 A L E S- 0 0 122 -2,-0.3 -1,-0.2 10,-0.2 2,-0.1 0.898 79.8-158.5 40.3 67.1 6.3 33.6 24.7 105 115 A T E - 0 0 60 -3,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.463 4.2-156.8 -73.2 142.9 8.1 30.8 26.5 106 116 A K E -L 113 0D 110 7,-2.9 7,-1.8 -2,-0.1 2,-0.3 -0.907 6.0-158.2-127.9 103.5 8.4 31.2 30.3 107 117 A Q E +L 112 0D 77 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.592 24.8 146.6 -84.2 139.9 11.2 29.2 32.0 108 118 A S - 0 0 30 3,-1.9 3,-0.3 -2,-0.3 -2,-0.0 -0.935 60.7 -96.8-157.4 172.7 11.1 28.4 35.8 109 119 A E S S+ 0 0 70 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.795 122.3 55.6 -68.3 -26.3 12.1 25.6 38.1 110 120 A E S S- 0 0 131 1,-0.2 2,-0.3 16,-0.1 -1,-0.2 0.768 123.7 -89.2 -76.6 -28.6 8.6 24.2 38.0 111 121 A G - 0 0 4 -3,-0.3 -3,-1.9 15,-0.2 2,-0.4 -0.989 55.7 -48.4 156.2-144.8 8.7 23.9 34.2 112 122 A V E -LM 107 125D 5 13,-2.2 13,-2.6 -2,-0.3 2,-0.4 -0.981 31.7-157.7-132.3 140.6 7.8 26.0 31.2 113 123 A T E +LM 106 124D 54 -7,-1.8 -7,-2.9 -2,-0.4 2,-0.3 -0.929 29.3 157.5-111.4 141.8 4.7 28.1 30.4 114 124 A F E - 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0 0 23 -3,-1.0 19,-2.4 1,-0.1 20,-0.2 -0.681 34.7-171.4 -81.8 113.7 16.0 9.3 -16.7 301 311 A L + 0 0 133 -2,-0.7 -1,-0.1 17,-0.2 -4,-0.0 0.597 52.9 103.1 -81.8 -11.5 14.4 5.9 -16.6 302 312 A K S S- 0 0 111 15,-0.1 16,-2.5 1,-0.1 17,-0.2 -0.319 79.2-102.3 -70.7 153.7 16.6 4.5 -13.8 303 313 A P - 0 0 35 0, 0.0 3,-0.2 0, 0.0 14,-0.2 -0.213 40.6 -93.3 -71.2 168.8 15.2 4.2 -10.2 304 314 A L S S+ 0 0 0 12,-0.4 2,-0.4 1,-0.2 -2,-0.1 0.900 116.4 11.0 -48.7 -43.3 16.0 6.8 -7.5 305 315 A D - 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 3,-0.2 -0.995 69.5-142.2-142.0 134.4 18.8 4.4 -6.5 306 316 A S S S+ 0 0 88 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.557 101.3 36.9 -69.3 -16.0 20.1 1.4 -8.5 307 317 A E S S+ 0 0 98 -4,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.537 87.5 112.4-112.5 -12.4 20.8 -0.8 -5.4 308 318 A C - 0 0 3 -3,-0.2 -3,-0.1 1,-0.1 35,-0.1 -0.380 50.9-159.6 -66.6 134.8 17.8 0.2 -3.3 309 319 A H + 0 0 132 33,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.226 47.0 127.3 -98.8 16.7 15.3 -2.6 -2.8 310 320 A C S > S- 0 0 9 1,-0.1 4,-1.2 29,-0.1 3,-0.4 -0.379 72.7-112.8 -73.1 154.0 12.3 -0.3 -1.9 311 321 A A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.834 114.8 59.9 -53.8 -38.1 9.0 -0.7 -3.7 312 322 A V H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.941 107.5 43.2 -58.5 -48.5 9.5 2.8 -5.2 313 323 A C H 4 S+ 0 0 12 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.667 111.8 55.6 -72.4 -18.3 12.7 1.9 -7.0 314 324 A Q H < S+ 0 0 136 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.793 123.4 22.5 -84.2 -24.6 11.3 -1.4 -8.1 315 325 A K H < S+ 0 0 151 -4,-1.8 2,-0.4 -3,-0.3 -2,-0.2 0.696 113.5 50.3-117.2 -21.8 8.4 0.3 -9.8 316 326 A W < - 0 0 74 -4,-3.1 -12,-0.4 -5,-0.2 2,-0.2 -0.933 63.5-131.7-125.7 152.0 8.9 3.9 -10.8 317 327 A S > - 0 0 22 -2,-0.4 4,-2.2 -14,-0.2 3,-0.4 -0.507 27.1-114.6 -93.8 162.2 11.6 5.9 -12.6 318 328 A R H > S+ 0 0 35 -16,-2.5 4,-3.1 1,-0.2 5,-0.2 0.864 115.8 61.5 -56.6 -40.8 13.4 9.1 -11.7 319 329 A A H > S+ 0 0 19 -19,-2.4 4,-1.7 -17,-0.2 -1,-0.2 0.881 106.4 43.0 -54.8 -44.1 11.6 10.7 -14.7 320 330 A Y H > S+ 0 0 85 -3,-0.4 4,-2.6 -20,-0.2 -2,-0.2 0.944 115.9 46.7 -70.0 -46.8 8.2 10.1 -13.3 321 331 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.901 109.4 55.6 -63.7 -36.8 9.0 11.1 -9.8 322 332 A H H X S+ 0 0 16 -4,-3.1 4,-2.2 -25,-0.3 -1,-0.2 0.926 110.2 46.7 -58.9 -44.7 10.7 14.2 -11.2 323 333 A H H X S+ 0 0 103 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.927 111.6 50.3 -61.7 -50.5 7.5 15.0 -12.9 324 334 A L H X>S+ 0 0 7 -4,-2.6 5,-2.6 2,-0.2 4,-0.5 0.912 112.7 45.8 -56.0 -51.6 5.3 14.4 -9.8 325 335 A I H ><5S+ 0 0 15 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.904 113.5 48.7 -62.8 -42.1 7.4 16.6 -7.6 326 336 A R H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.818 112.2 49.5 -69.7 -25.1 7.6 19.4 -10.2 327 337 A A H 3<5S- 0 0 58 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.531 113.2-121.1 -86.5 -6.5 3.8 19.2 -10.6 328 338 A G T <<5 + 0 0 66 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.2 0.767 52.3 167.7 72.8 25.9 3.3 19.3 -6.8 329 339 A E >>< - 0 0 107 -5,-2.6 3,-1.5 -6,-0.2 4,-0.9 -0.519 42.3-133.5 -76.9 138.7 1.5 16.0 -6.8 330 340 A I H >> S+ 0 0 125 1,-0.3 4,-2.2 -2,-0.2 3,-0.6 0.864 105.6 63.1 -57.2 -37.7 0.9 14.2 -3.5 331 341 A L H 3> S+ 0 0 55 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.789 96.3 61.2 -58.9 -28.0 2.2 10.9 -5.0 332 342 A G H <> S+ 0 0 0 -3,-1.5 4,-2.3 -8,-0.2 -1,-0.3 0.928 106.8 42.3 -64.4 -45.0 5.5 12.6 -5.4 333 343 A A H S+ 0 0 0 -4,-1.9 5,-3.2 -5,-0.2 6,-0.6 0.873 111.4 49.7 -68.0 -31.8 28.9 -5.2 9.1 355 365 A I H ><5S+ 0 0 2 -4,-1.9 3,-1.2 4,-0.2 -2,-0.2 0.936 110.3 50.0 -68.0 -47.2 29.3 -4.9 12.9 356 366 A S H 3<5S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 114.9 46.2 -60.0 -28.1 28.1 -8.5 13.4 357 367 A E T 3<5S- 0 0 119 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.462 112.5-118.8 -95.3 -3.5 30.7 -9.5 10.8 358 368 A G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.848 88.7 102.4 69.9 33.8 33.5 -7.5 12.2 359 369 A R >< + 0 0 106 -5,-3.2 4,-1.9 -6,-0.1 -4,-0.2 0.021 35.2 114.2-135.4 28.2 33.8 -5.4 9.1 360 370 A F H > S+ 0 0 6 -6,-0.6 4,-3.1 1,-0.2 5,-0.2 0.910 73.8 57.8 -68.6 -41.7 32.1 -2.1 10.1 361 371 A S H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 110.7 44.3 -55.5 -40.5 35.3 -0.0 10.0 362 372 A Q H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.878 112.1 52.9 -70.8 -40.6 35.7 -1.0 6.3 363 373 A F H X S+ 0 0 27 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.946 109.1 48.5 -59.8 -48.8 32.0 -0.4 5.6 364 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.932 113.6 47.8 -55.4 -47.4 32.2 3.1 7.1 365 375 A Q H X S+ 0 0 110 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.918 115.0 43.8 -60.3 -49.0 35.2 3.8 5.0 366 376 A D H X S+ 0 0 91 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.857 112.0 54.9 -66.4 -37.3 33.7 2.5 1.8 367 377 A F H X S+ 0 0 10 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.950 110.7 43.5 -60.2 -54.2 30.4 4.2 2.5 368 378 A R H X S+ 0 0 72 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.849 110.3 56.7 -61.6 -37.9 32.0 7.7 2.9 369 379 A A H < S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.910 117.6 32.5 -62.9 -41.8 34.2 7.2 -0.2 370 380 A R H < S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.867 115.7 56.3 -82.4 -41.8 31.3 6.5 -2.4 371 381 A Y H < 0 0 13 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.788 360.0 360.0 -61.2 -32.3 28.7 8.8 -0.7 372 382 A F < 0 0 149 -4,-1.6 -84,-0.1 -5,-0.2 0, 0.0 -0.746 360.0 360.0-104.4 360.0 30.9 11.8 -1.1