==== 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 16-MAY-07 2Z1W . 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 . 362 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.6 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 5 1 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 1 0 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 . 1 1 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 0 159 0, 0.0 22,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 147.7 8.5 -10.1 25.9 2 12 A P - 0 0 50 0, 0.0 3,-0.2 0, 0.0 174,-0.0 -0.293 360.0-106.9 -73.0 164.3 9.8 -8.1 28.8 3 13 A R S S- 0 0 67 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.911 102.3 -6.7 -55.1 -45.2 9.2 -4.4 29.5 4 14 A F + 0 0 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.888 65.2 161.2-161.2 126.0 12.7 -3.7 28.4 5 15 A S E -A 21 0A 47 16,-1.5 16,-3.2 -2,-0.3 2,-0.5 -0.857 13.5-168.2-150.9 114.2 15.8 -5.7 27.5 6 16 A F E -A 20 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.897 12.0-178.2-103.2 122.9 18.8 -4.4 25.6 7 17 A S E -A 19 0A 61 12,-2.8 12,-2.2 -2,-0.5 2,-0.6 -0.989 19.0-146.5-124.6 132.4 21.2 -7.1 24.4 8 18 A I E +A 18 0A 44 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.861 18.2 175.8 -98.4 119.0 24.4 -6.6 22.5 9 19 A A E + 0 0 85 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.779 63.7 9.5 -93.6 -27.3 25.1 -9.4 20.1 10 20 A A E -A 17 0A 24 7,-1.8 7,-2.7 2,-0.0 2,-0.3 -0.991 60.1-163.5-155.6 151.7 28.3 -8.1 18.3 11 21 A R E -A 16 0A 111 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.956 11.5-178.5-138.9 152.6 30.9 -5.4 18.6 12 22 A E E > S-A 15 0A 45 3,-2.4 3,-2.3 -2,-0.3 2,-0.2 -0.828 72.0 -48.6-153.0 106.5 33.5 -3.7 16.6 13 23 A G T 3 S- 0 0 74 -2,-0.3 -1,-0.1 1,-0.3 242,-0.1 -0.441 124.1 -22.3 61.8-127.7 35.5 -1.0 18.2 14 24 A K T 3 S+ 0 0 90 240,-0.5 -1,-0.3 -2,-0.2 2,-0.2 0.564 117.9 104.8 -87.3 -9.1 33.0 1.3 19.9 15 25 A A E < -A 12 0A 1 -3,-2.3 -3,-2.4 239,-0.2 2,-0.3 -0.528 49.9-173.4 -78.1 146.2 30.3 0.1 17.5 16 26 A R E -A 11 0A 3 241,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.959 13.0-165.4-134.1 147.1 27.6 -2.3 18.7 17 27 A T E +A 10 0A 8 -7,-2.7 -8,-2.4 -2,-0.3 -7,-1.8 -0.996 35.2 106.6-133.1 146.9 24.7 -4.2 17.2 18 28 A G E -AB 8 29A 7 11,-2.1 11,-3.1 -2,-0.4 2,-0.3 -0.893 53.6 -77.2 179.8-156.8 21.9 -5.9 19.1 19 29 A T E -AB 7 28A 45 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.5 -0.983 11.9-149.8-140.1 144.8 18.2 -5.8 20.1 20 30 A I E -AB 6 27A 0 7,-2.4 7,-2.9 -2,-0.3 2,-0.5 -0.990 22.6-156.1-109.1 116.4 15.9 -4.0 22.4 21 31 A E E +AB 5 26A 65 -16,-3.2 -16,-1.5 -2,-0.5 2,-0.3 -0.841 21.4 164.1 -92.4 129.9 13.0 -6.2 23.4 22 32 A M E > - B 0 25A 1 3,-2.0 3,-1.7 -2,-0.5 -19,-0.2 -0.882 52.1 -98.6-137.2 168.3 9.8 -4.5 24.5 23 33 A K T 3 S+ 0 0 91 -20,-0.5 -20,-0.1 153,-0.3 3,-0.1 0.857 122.9 46.4 -59.0 -34.6 6.2 -5.6 25.0 24 34 A R T 3 S- 0 0 98 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.454 125.9 -64.2 -90.4 0.1 5.2 -4.1 21.6 25 35 A G E < -B 22 0A 1 -3,-1.7 -3,-2.0 62,-0.2 2,-0.4 -0.855 57.2 -58.3 147.0 179.4 8.1 -5.6 19.7 26 36 A V E -B 21 0A 49 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.835 33.3-154.9-102.5 135.0 11.8 -5.9 19.0 27 37 A I E -B 20 0A 0 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.4 -0.945 12.3-143.3-108.4 117.9 14.0 -3.0 17.9 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.655 33.0-107.9 -81.8 131.5 17.2 -3.9 16.0 29 39 A T E S+B 18 0A 0 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.2 -0.918 101.3 47.2-118.0 145.4 20.1 -1.7 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 229,-0.2 0.455 92.9-173.6 -59.4 137.2 21.6 0.5 15.5 31 41 A A E -c 259 0B 3 227,-2.2 229,-1.8 -2,-0.2 2,-0.5 -0.890 25.2-152.8-115.9 139.9 18.1 1.8 14.8 32 42 A F E -c 260 0B 2 -2,-0.4 24,-0.3 227,-0.2 23,-0.3 -0.984 14.6-154.5-110.6 127.5 16.7 4.6 12.8 33 43 A M E -c 261 0B 0 227,-2.8 229,-0.7 -2,-0.5 24,-0.2 -0.911 9.8-139.6-104.1 109.8 13.4 6.1 14.0 34 44 A P - 0 0 0 0, 0.0 24,-2.5 0, 0.0 2,-0.5 -0.444 27.8-118.9 -63.1 146.4 11.2 7.8 11.4 35 45 A V E -d 58 0B 4 227,-0.5 2,-0.6 22,-0.2 7,-0.5 -0.801 23.3-168.1 -95.3 124.0 9.6 10.9 12.9 36 46 A G E -d 59 0B 2 22,-4.0 24,-1.3 -2,-0.5 3,-0.5 -0.935 8.9-175.1-103.8 111.2 5.8 11.1 13.1 37 47 A T S S+ 0 0 25 3,-1.2 23,-0.3 -2,-0.6 27,-0.2 0.955 76.6 14.7 -83.2 -43.3 5.2 14.7 14.1 38 48 A A S S- 0 0 46 2,-0.6 -1,-0.2 25,-0.1 3,-0.1 -0.538 132.4 -64.0-129.1 60.8 1.4 14.9 14.6 39 49 A A S S+ 0 0 17 -3,-0.5 2,-0.3 21,-0.1 -2,-0.1 0.760 118.2 82.4 61.4 33.9 0.5 11.2 14.8 40 50 A T S S- 0 0 62 5,-0.0 -3,-1.2 6,-0.0 2,-0.8 -0.906 77.0-130.0-160.5 136.1 1.6 10.5 11.2 41 51 A V > - 0 0 5 3,-0.4 3,-2.3 -2,-0.3 -5,-0.2 -0.853 61.9 -98.5 -79.4 110.1 4.9 9.8 9.5 42 52 A K T 3 S- 0 0 81 -2,-0.8 3,-0.1 -7,-0.5 -1,-0.1 -0.093 96.3 -4.0 -50.7 123.9 4.2 12.5 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 285,-0.1 -1,-0.3 0.444 112.2 101.7 77.0 12.0 2.8 11.0 3.6 44 54 A L < - 0 0 14 -3,-2.3 -3,-0.4 284,-0.1 -1,-0.1 -0.982 66.5-133.1-126.3 135.0 3.1 7.4 4.7 45 55 A K >> - 0 0 134 -2,-0.4 4,-2.0 1,-0.1 3,-1.1 -0.540 35.0-116.0 -65.9 146.7 0.6 4.8 5.9 46 56 A P H 3> S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.850 116.8 59.7 -57.3 -33.0 2.0 3.1 9.0 47 57 A E H 3> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.0 0.846 105.5 49.4 -62.1 -30.8 2.1 -0.2 7.0 48 58 A T H <> S+ 0 0 29 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.892 107.1 53.9 -75.6 -39.6 4.4 1.5 4.5 49 59 A V H ><>S+ 0 0 1 -4,-2.0 5,-1.4 1,-0.2 3,-0.6 0.950 112.5 44.7 -58.7 -44.4 6.6 2.7 7.3 50 60 A R H ><5S+ 0 0 83 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.917 105.9 60.8 -64.8 -39.2 6.9 -0.9 8.5 51 61 A A H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 97.7 59.4 -60.7 -28.7 7.4 -2.2 5.0 52 62 A T T <<5S- 0 0 18 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.584 126.3 -99.8 -74.8 -14.3 10.6 -0.1 4.8 53 63 A G T < 5 + 0 0 19 -3,-2.2 -3,-0.2 -4,-0.4 -2,-0.1 0.360 68.4 152.3 111.9 -1.0 12.0 -1.9 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.445 22.8-174.9 -63.2 135.3 11.3 0.5 10.7 55 65 A D S S+ 0 0 8 1,-0.3 2,-0.3 -23,-0.3 -1,-0.1 0.525 71.4 14.8-102.3 -19.3 10.9 -1.2 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.968 64.7-153.3-156.2 148.1 10.0 1.9 16.0 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.4 -2,-0.3 2,-0.4 -0.849 17.7-124.0-123.6 160.2 8.9 5.5 15.3 58 68 A L E -de 35 90B 3 -24,-2.5 -22,-4.0 -2,-0.3 2,-0.4 -0.896 18.7-162.4-101.6 135.2 9.2 8.8 17.2 59 69 A G E -de 36 91B 5 31,-2.6 33,-1.8 -2,-0.4 2,-0.6 -0.939 19.3-128.1-112.3 139.9 6.2 10.9 18.1 60 70 A N > - 0 0 13 -24,-1.3 4,-1.5 -2,-0.4 -21,-0.1 -0.750 12.6-160.3 -88.4 124.6 6.6 14.6 19.1 61 71 A T H > S+ 0 0 0 -2,-0.6 4,-2.5 31,-0.2 5,-0.3 0.880 85.4 59.4 -67.6 -41.3 4.9 15.4 22.4 62 72 A Y H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.941 108.5 43.6 -57.2 -46.7 4.7 19.1 21.8 63 73 A H H > S+ 0 0 55 -26,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.918 114.5 49.0 -72.5 -38.4 2.6 18.9 18.7 64 74 A L H <>S+ 0 0 0 -4,-1.5 5,-2.4 -27,-0.2 -1,-0.2 0.856 105.9 55.3 -68.6 -30.4 0.3 16.2 20.1 65 75 A M H <5S+ 0 0 35 -4,-2.5 5,-0.3 4,-0.2 -1,-0.2 0.830 116.0 41.2 -75.2 -25.3 -0.5 18.0 23.3 66 76 A L H <5S+ 0 0 97 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.912 118.8 45.4 -83.4 -50.7 -1.5 20.9 21.1 67 77 A R T <5S- 0 0 203 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.964 133.8 -6.6-141.9 127.6 -3.4 19.0 18.4 68 78 A P T 5S- 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.999 104.9-121.3 -84.0 -7.4 -5.3 16.7 18.9 69 79 A G >< - 0 0 14 -5,-2.4 4,-2.3 -6,-0.1 -4,-0.2 -0.026 10.5-109.4 114.3 143.8 -4.5 16.8 22.7 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.930 115.9 48.9 -70.8 -43.8 -3.2 14.1 25.0 71 81 A E H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 112.2 51.3 -60.4 -42.1 -6.3 13.5 27.1 72 82 A R H > S+ 0 0 159 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 109.7 48.2 -61.7 -48.3 -8.2 13.2 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.4 0.928 112.3 50.2 -60.2 -40.1 -5.8 10.7 22.3 74 84 A A H ><5S+ 0 0 35 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.938 108.5 51.1 -62.2 -44.6 -6.0 8.7 25.6 75 85 A K H 3<5S+ 0 0 178 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.5 54.6 -58.5 -33.6 -9.8 8.8 25.5 76 86 A L T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.449 134.1 -85.2 -83.3 -4.0 -9.6 7.5 21.9 77 87 A G T < 5S- 0 0 54 -3,-1.7 4,-0.4 -4,-0.4 -3,-0.2 0.434 73.6 -72.4 117.4 1.5 -7.5 4.5 22.9 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.4 -6,-0.2 51,-0.2 -0.118 59.8 -70.1 95.5 165.5 -3.9 5.9 22.9 79 89 A L H > S+ 0 0 3 49,-2.6 4,-2.5 1,-0.2 5,-0.3 0.871 125.0 57.2 -65.6 -37.4 -1.6 6.9 20.1 80 90 A H H >>S+ 0 0 8 48,-0.5 5,-1.5 1,-0.2 4,-1.4 0.944 114.4 38.5 -59.5 -49.7 -0.9 3.4 18.7 81 91 A S H 45S+ 0 0 84 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.912 114.3 55.6 -65.6 -43.8 -4.5 2.7 18.1 82 92 A F H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.938 121.1 27.2 -54.0 -50.6 -5.3 6.3 16.9 83 93 A M H <5S- 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.574 108.1-116.9 -94.9 -10.0 -2.6 6.3 14.2 84 94 A G T <5S+ 0 0 50 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.864 70.0 129.5 77.8 33.8 -2.6 2.5 13.5 85 95 A W < - 0 0 10 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.990 29.8-179.7-117.9 115.0 1.0 1.8 14.5 86 96 A D + 0 0 115 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.357 54.8 82.4-101.5 3.1 1.1 -1.2 16.8 87 97 A R S S- 0 0 69 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.310 95.7 -51.0 -95.4 176.9 4.9 -1.4 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.225 49.4-162.7 -55.6 145.4 7.0 0.6 19.8 89 99 A I E -e 57 0B 1 -33,-0.2 42,-2.3 40,-0.2 43,-1.8 -0.999 4.8-157.3-126.1 129.7 6.8 4.4 19.8 90 100 A L E -ef 58 132B 0 -33,-2.4 -31,-2.6 -2,-0.4 2,-0.4 -0.910 13.6-160.8 -98.8 130.6 9.4 6.7 21.4 91 101 A T E -ef 59 133B 0 41,-2.5 43,-1.3 -2,-0.5 -31,-0.2 -0.930 11.3-135.1-114.0 141.0 8.1 10.1 22.4 92 102 A D - 0 0 15 -33,-1.8 -31,-0.2 -2,-0.4 44,-0.1 -0.350 25.1-117.1 -82.0 171.6 10.2 13.2 23.0 93 103 A S - 0 0 3 42,-0.3 43,-0.1 -32,-0.1 -1,-0.1 0.706 36.4-115.2 -88.7 -20.0 9.4 15.3 26.1 94 104 A G S > S+ 0 0 0 22,-0.0 4,-2.2 -33,-0.0 5,-0.2 0.262 84.4 116.0 105.9 -12.6 8.4 18.5 24.4 95 105 A G H > S+ 0 0 4 1,-0.2 4,-0.6 2,-0.2 44,-0.2 0.842 74.8 47.0 -65.1 -40.2 11.4 20.4 25.9 96 106 A Y H >> S+ 0 0 100 2,-0.2 4,-1.8 1,-0.1 3,-0.8 0.957 114.5 42.1 -71.4 -54.6 13.0 21.1 22.6 97 107 A Q H 3> S+ 0 0 17 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.871 102.7 65.7 -67.4 -33.7 10.0 22.4 20.7 98 108 A V H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 112.6 37.5 -60.8 -27.6 8.5 24.5 23.5 99 109 A M H << S+ 0 0 76 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.779 123.6 39.2 -90.8 -29.3 11.6 26.7 23.2 100 110 A S H < 0 0 59 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.830 360.0 360.0 -95.2 -25.6 12.1 26.6 19.4 101 111 A L < 0 0 123 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.570 360.0 360.0-118.8 360.0 8.5 26.8 18.0 102 ! 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 0.0 103 115 A T 0 0 105 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 153.4 7.9 31.3 26.7 104 116 A K E -K 111 0C 52 7,-2.3 7,-2.4 2,-0.0 2,-0.3 -0.933 360.0-160.4-127.2 109.3 8.4 31.7 30.4 105 117 A Q E +K 110 0C 110 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.738 22.7 150.7 -89.6 137.5 11.2 29.5 31.6 106 118 A S E > -K 109 0C 54 3,-2.0 3,-0.6 -2,-0.3 -2,-0.0 -0.918 61.3 -93.1-153.7 173.4 11.5 28.7 35.3 107 119 A E T 3 S+ 0 0 83 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.736 123.6 57.8 -64.4 -25.2 12.7 25.9 37.6 108 120 A E T 3 S- 0 0 106 1,-0.2 2,-0.3 9,-0.1 -1,-0.2 0.833 121.3 -91.7 -71.2 -34.7 9.1 24.5 37.5 109 121 A G E < -K 106 0C 0 -3,-0.6 -3,-2.0 8,-0.2 2,-0.4 -0.986 55.7 -46.6 155.2-149.7 9.1 24.1 33.8 110 122 A V E -KL 105 116C 5 6,-2.9 6,-3.5 -2,-0.3 2,-0.4 -0.974 32.5-158.6-127.8 133.4 8.0 26.2 30.8 111 123 A T E +K 104 0C 65 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.3 -0.862 30.7 159.1 -98.4 139.7 4.9 28.3 30.2 112 124 A F 0 0 42 -2,-0.4 -13,-0.1 -9,-0.2 -14,-0.0 -0.977 360.0 360.0-159.1 166.1 4.1 29.0 26.5 113 125 A K 0 0 130 -2,-0.3 -2,-0.0 -15,-0.1 0, 0.0 -0.955 360.0 360.0-117.0 360.0 1.6 30.0 23.7 114 ! 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 0.0 115 134 A M 0 0 98 0, 0.0 2,-0.4 0, 0.0 -4,-0.3 0.000 360.0 360.0 360.0 132.0 2.7 24.9 31.4 116 135 A L B +L 110 0C 0 -6,-3.5 -6,-2.9 4,-0.0 3,-0.1 -0.994 360.0 155.0-120.0 130.8 5.0 22.0 30.4 117 136 A S > - 0 0 7 -2,-0.4 4,-3.0 -8,-0.2 5,-0.3 -0.874 58.5 -87.9-143.0 174.6 7.1 20.6 33.2 118 137 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.923 127.3 45.3 -52.1 -48.3 8.8 17.2 34.0 119 138 A E H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.917 116.4 44.1 -65.3 -39.5 5.6 15.9 35.7 120 139 A R H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 112.5 52.8 -70.7 -41.5 3.2 17.1 32.9 121 140 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.937 111.1 45.7 -59.9 -47.4 5.5 15.9 30.2 122 141 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.908 113.0 50.8 -64.8 -38.8 5.7 12.4 31.6 123 142 A E H X S+ 0 0 70 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.884 109.8 50.4 -63.2 -40.8 2.0 12.4 32.2 124 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 109.8 49.7 -64.2 -43.8 1.4 13.4 28.6 125 144 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-1.0 0.878 111.4 50.4 -63.8 -36.8 3.7 10.7 27.3 126 145 A H H ><5S+ 0 0 39 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.952 108.4 51.1 -60.5 -47.7 1.7 8.2 29.5 127 146 A L H 3<5S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.876 109.6 50.9 -59.2 -40.1 -1.6 9.5 28.1 128 147 A L H 3<5S- 0 0 0 -4,-2.3 -49,-2.6 -5,-0.2 -48,-0.5 0.748 113.3-124.1 -66.0 -25.9 -0.2 8.9 24.6 129 148 A G T <<5 - 0 0 30 -4,-1.0 -3,-0.2 -3,-0.7 -40,-0.2 0.775 40.3-173.7 80.9 31.1 0.8 5.4 25.6 130 149 A S < - 0 0 10 -5,-2.3 3,-0.2 1,-0.1 -40,-0.2 -0.290 23.3-156.7 -53.3 139.8 4.5 5.9 24.7 131 150 A D S S+ 0 0 11 -42,-2.3 47,-2.6 1,-0.3 2,-0.5 0.849 88.0 35.3 -87.4 -39.4 6.8 2.8 24.9 132 151 A I E S-fg 90 178B 0 -43,-1.8 -41,-2.5 45,-0.2 2,-0.4 -0.981 78.9-162.4-118.0 115.4 10.0 4.8 25.3 133 152 A V E -fg 91 179B 0 45,-3.3 47,-2.7 -2,-0.5 2,-0.4 -0.853 8.3-143.8 -98.1 124.8 9.5 8.0 27.4 134 153 A M E - g 0 180B 0 -43,-1.3 47,-0.2 -2,-0.4 -9,-0.1 -0.771 24.1-112.9 -83.6 131.0 12.2 10.8 27.2 135 154 A A - 0 0 2 45,-2.3 2,-0.5 -2,-0.4 -42,-0.3 -0.343 37.1-104.4 -54.2 144.2 13.0 12.8 30.4 136 155 A F + 0 0 2 23,-0.3 2,-0.2 -43,-0.1 27,-0.2 -0.686 60.5 153.6 -75.6 121.0 11.9 16.4 30.2 137 156 A D - 0 0 14 -2,-0.5 2,-0.4 -20,-0.1 16,-0.1 -0.650 46.2-103.0-133.9-171.0 15.1 18.4 29.7 138 157 A E - 0 0 19 -2,-0.2 2,-1.2 14,-0.2 -42,-0.1 -0.993 24.3-142.4-120.3 120.0 16.4 21.7 28.2 139 158 A C - 0 0 29 -2,-0.4 45,-0.1 -44,-0.2 14,-0.0 -0.702 26.5-135.4 -83.2 99.7 18.2 21.5 24.9 140 159 A T - 0 0 6 -2,-1.2 74,-0.1 1,-0.1 4,-0.1 -0.319 21.4-113.0 -57.7 129.0 21.0 24.1 25.4 141 160 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 74,-0.1 -0.244 40.4 -93.9 -59.8 153.7 21.5 26.4 22.4 142 161 A Y S S+ 0 0 78 72,-0.6 2,-0.1 1,-0.1 3,-0.0 -0.976 104.9 32.4-117.5 132.4 24.7 26.1 20.4 143 162 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.609 81.1 167.3 -75.2 164.0 27.0 27.8 20.9 144 163 A A - 0 0 21 -2,-0.1 43,-0.2 -4,-0.1 -2,-0.0 -0.996 36.5-115.1-140.3 141.6 26.8 28.4 24.7 145 164 A T > - 0 0 90 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.378 35.5-111.6 -70.4 152.8 29.3 29.8 27.2 146 165 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.875 117.4 54.4 -53.9 -38.0 30.5 27.3 29.7 147 166 A S H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 113.1 41.4 -60.8 -48.9 28.7 29.1 32.5 148 167 A R H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 114.1 52.0 -65.9 -43.9 25.3 29.0 30.7 149 168 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.899 110.8 48.8 -65.0 -36.0 25.8 25.4 29.5 150 169 A A H X S+ 0 0 16 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.950 111.8 47.5 -66.6 -46.9 26.5 24.4 33.1 151 170 A S H X S+ 0 0 53 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.916 115.4 47.2 -59.8 -40.4 23.5 26.2 34.5 152 171 A S H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.955 112.4 47.7 -66.3 -48.1 21.4 24.6 31.8 153 172 A M H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 110.2 53.2 -58.3 -45.4 22.8 21.1 32.3 154 173 A E H X S+ 0 0 84 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.897 109.4 48.6 -60.9 -43.4 22.3 21.4 36.1 155 174 A R H X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.944 110.4 52.0 -57.2 -51.0 18.6 22.3 35.6 156 175 A S H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.856 107.7 51.6 -57.8 -33.4 18.2 19.4 33.2 157 176 A M H X S+ 0 0 18 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.879 109.3 48.6 -76.7 -33.1 19.6 17.0 35.7 158 177 A R H X S+ 0 0 106 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.909 112.9 50.1 -63.1 -40.3 17.2 18.2 38.4 159 178 A W H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -23,-0.3 0.813 104.8 57.8 -66.0 -28.9 14.5 17.7 35.8 160 179 A A H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.907 106.7 47.8 -70.3 -39.0 15.8 14.2 35.0 161 180 A K H X S+ 0 0 98 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.929 112.4 48.6 -66.9 -45.0 15.3 13.2 38.7 162 181 A R H X S+ 0 0 48 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 111.2 51.1 -58.2 -40.8 11.8 14.7 38.7 163 182 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 109.3 51.5 -61.8 -43.3 11.1 12.9 35.4 164 183 A R H X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.927 113.2 43.6 -57.5 -48.9 12.3 9.6 37.0 165 184 A D H X S+ 0 0 76 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.880 111.6 52.7 -71.5 -35.3 10.1 10.0 40.0 166 185 A A H < S+ 0 0 10 -4,-2.2 3,-0.4 -5,-0.2 4,-0.4 0.945 112.4 46.8 -64.9 -44.8 7.0 11.1 38.0 167 186 A F H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 7,-0.5 0.927 112.3 48.2 -60.3 -46.1 7.4 8.0 35.8 168 187 A D H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.701 100.3 69.1 -69.6 -19.3 7.9 5.6 38.7 169 188 A S T 3< S+ 0 0 90 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.594 89.7 68.9 -71.2 -20.2 4.9 7.1 40.5 170 189 A R S X> S- 0 0 58 -3,-1.3 4,-2.8 -4,-0.4 3,-0.5 -0.923 70.1-160.4-111.0 100.6 2.6 5.6 37.9 171 190 A K H 3> S+ 0 0 64 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.856 89.4 49.9 -48.8 -50.5 2.4 1.8 38.2 172 191 A E H 3> S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.887 114.7 44.3 -59.9 -40.6 1.1 1.2 34.7 173 192 A Q H X> S+ 0 0 5 -3,-0.5 4,-2.9 1,-0.2 3,-0.6 0.951 113.2 49.1 -70.4 -51.4 3.7 3.3 33.1 174 193 A A H 3< S+ 0 0 27 -4,-2.8 -2,-0.2 -7,-0.5 -1,-0.2 0.808 115.3 46.1 -57.8 -29.4 6.6 2.0 35.1 175 194 A E H 3< S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.713 125.1 26.8 -87.0 -20.9 5.5 -1.6 34.4 176 195 A N H << S+ 0 0 72 -4,-1.1 -153,-0.3 -3,-0.6 2,-0.2 0.663 114.0 51.9-120.8 -19.3 5.0 -1.2 30.6 177 196 A A < - 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