==== 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 17-JAN-07 2OKO . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR N.TIDTEN . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.3 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 35.6 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 3 3 2 1 1 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 2 0 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 0 158 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.2 8.5 -10.3 26.0 2 12 A P - 0 0 49 0, 0.0 3,-0.2 0, 0.0 176,-0.0 -0.362 360.0-110.0 -72.3 162.3 10.0 -8.3 28.8 3 13 A R S S- 0 0 68 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.908 100.5 -7.5 -57.2 -44.1 9.2 -4.7 29.5 4 14 A F + 0 0 25 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.883 65.2 160.2-160.3 122.9 12.8 -3.9 28.4 5 15 A S E -A 21 0A 47 16,-2.0 16,-2.7 -2,-0.3 2,-0.5 -0.856 14.3-167.3-145.7 115.6 15.9 -6.0 27.6 6 16 A F E -A 20 0A 27 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.890 12.3-177.7-102.4 125.6 18.8 -4.7 25.6 7 17 A S E -A 19 0A 61 12,-2.7 12,-2.4 -2,-0.5 2,-0.6 -0.986 19.4-144.9-127.2 133.6 21.3 -7.4 24.4 8 18 A I E +A 18 0A 46 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.887 18.1 176.5 -99.5 119.2 24.5 -6.9 22.6 9 19 A A E + 0 0 86 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.730 64.7 6.3 -92.6 -28.3 25.2 -9.7 20.0 10 20 A A E -A 17 0A 24 7,-2.0 7,-2.7 2,-0.0 2,-0.3 -0.997 58.4-162.6-159.4 154.3 28.3 -8.4 18.4 11 21 A R E -A 16 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.948 10.3-178.6-138.5 155.7 30.9 -5.6 18.6 12 22 A E E > S-A 15 0A 45 3,-2.1 3,-2.4 -2,-0.3 2,-0.2 -0.847 72.8 -46.3-157.7 106.8 33.6 -4.0 16.5 13 23 A G T 3 S- 0 0 74 1,-0.3 -1,-0.1 -2,-0.3 244,-0.1 -0.438 124.8 -23.2 62.8-132.7 35.6 -1.3 18.1 14 24 A K T 3 S+ 0 0 89 242,-0.6 -1,-0.3 -2,-0.2 2,-0.2 0.571 118.1 103.9 -81.2 -9.6 33.1 1.0 19.8 15 25 A A E < -A 12 0A 0 -3,-2.4 -3,-2.1 241,-0.2 2,-0.3 -0.520 49.6-174.1 -77.0 146.0 30.3 -0.2 17.5 16 26 A R E -A 11 0A 2 243,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.962 13.1-163.9-132.8 154.5 27.6 -2.6 18.7 17 27 A T E +A 10 0A 7 -7,-2.7 -8,-2.2 -2,-0.3 -7,-2.0 -0.988 35.4 104.9-136.3 144.6 24.8 -4.6 17.2 18 28 A G E -AB 8 29A 6 11,-1.8 11,-2.9 -2,-0.4 2,-0.3 -0.879 53.8 -76.5-178.3-151.0 22.0 -6.2 19.1 19 29 A T E -AB 7 28A 46 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.5 -0.992 11.1-149.2-143.9 147.4 18.3 -6.0 20.1 20 30 A I E -AB 6 27A 0 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.992 22.5-157.1-111.7 117.3 16.0 -4.3 22.4 21 31 A E E +AB 5 26A 67 -16,-2.7 -16,-2.0 -2,-0.5 2,-0.3 -0.868 20.9 164.5 -96.0 133.9 13.0 -6.5 23.4 22 32 A M E > - B 0 25A 1 3,-1.9 3,-1.5 -2,-0.5 -19,-0.2 -0.871 51.8 -96.8-138.4 166.0 9.9 -4.7 24.6 23 33 A K T 3 S+ 0 0 93 -20,-0.5 3,-0.1 155,-0.3 -20,-0.1 0.848 122.8 45.2 -57.1 -35.9 6.3 -5.8 25.0 24 34 A R T 3 S- 0 0 99 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.454 126.5 -55.6 -92.6 1.4 5.2 -4.4 21.6 25 35 A G E < -B 22 0A 0 -3,-1.5 -3,-1.9 62,-0.2 2,-0.4 -0.873 57.4 -68.1 152.8 176.4 8.2 -5.9 19.7 26 36 A V E -B 21 0A 47 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.829 33.7-152.6-101.6 137.9 11.9 -6.2 19.1 27 37 A I E -B 20 0A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.963 11.3-142.1-115.1 120.4 14.1 -3.4 17.9 28 38 A R E -B 19 0A 82 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.2 -0.703 32.9-107.3 -81.8 131.9 17.2 -4.2 15.9 29 39 A T E S+B 18 0A 0 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.2 -0.893 100.4 45.9-119.4 145.9 20.2 -2.0 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 231,-0.2 0.505 93.3-173.1 -62.2 138.9 21.7 0.1 15.5 31 41 A A E -c 261 0B 3 229,-2.2 231,-1.6 -2,-0.2 2,-0.5 -0.908 25.9-153.5-115.0 142.6 18.2 1.5 14.8 32 42 A F E -c 262 0B 2 -2,-0.3 24,-0.3 229,-0.2 23,-0.3 -0.984 14.4-155.3-113.0 129.5 16.7 4.3 12.8 33 43 A M E -c 263 0B 0 229,-2.8 231,-0.7 -2,-0.5 24,-0.2 -0.904 10.8-138.4-103.3 113.0 13.4 5.7 13.9 34 44 A P - 0 0 0 0, 0.0 24,-2.7 0, 0.0 2,-0.5 -0.409 30.0-114.6 -61.0 145.5 11.2 7.5 11.3 35 45 A V E -d 58 0B 4 229,-0.4 2,-0.6 22,-0.2 7,-0.5 -0.759 22.3-159.7 -95.2 127.3 9.6 10.6 12.8 36 46 A G E -d 59 0B 3 22,-3.4 24,-2.7 -2,-0.5 2,-0.5 -0.937 9.9-171.7-102.6 113.5 5.9 10.8 13.3 37 47 A T S S+ 0 0 19 3,-1.8 3,-0.4 -2,-0.6 24,-0.1 -0.964 75.7 1.0-109.9 124.3 4.8 14.4 13.6 38 48 A A S S- 0 0 48 -2,-0.5 -1,-0.2 22,-0.2 23,-0.1 0.819 134.0 -56.6 63.0 43.4 1.1 14.8 14.5 39 49 A A S S+ 0 0 17 21,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.785 120.3 87.5 59.9 34.5 0.5 11.0 14.8 40 50 A T S S- 0 0 60 -3,-0.4 -3,-1.8 5,-0.0 2,-0.8 -0.926 75.8-131.0-156.1 136.4 1.6 10.3 11.2 41 51 A V > - 0 0 4 3,-0.4 3,-2.3 -2,-0.3 -5,-0.2 -0.849 63.0 -99.3 -76.1 109.6 4.9 9.5 9.5 42 52 A K T 3 S- 0 0 78 -2,-0.8 3,-0.1 -7,-0.5 -1,-0.1 -0.098 95.3 -3.1 -54.4 127.6 4.2 12.1 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 287,-0.0 -1,-0.3 0.461 112.3 100.4 76.4 8.3 2.9 10.7 3.6 44 54 A L < - 0 0 14 -3,-2.3 -3,-0.4 286,-0.1 -1,-0.1 -0.983 66.1-134.2-125.9 136.0 3.1 7.0 4.7 45 55 A K >> - 0 0 135 -2,-0.4 4,-2.1 1,-0.1 3,-1.0 -0.539 35.3-115.1 -67.5 148.3 0.7 4.5 6.0 46 56 A P H 3> S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.860 116.8 59.4 -56.4 -33.1 2.1 2.7 9.0 47 57 A E H 3> S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.843 106.1 49.4 -64.3 -29.5 2.1 -0.6 7.0 48 58 A T H <> S+ 0 0 31 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.908 107.7 53.1 -74.3 -41.2 4.4 1.1 4.5 49 59 A V H <>S+ 0 0 2 -4,-2.1 5,-1.4 1,-0.2 3,-0.4 0.938 112.5 45.4 -55.6 -46.5 6.6 2.3 7.4 50 60 A R H ><5S+ 0 0 82 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.905 106.6 59.5 -67.2 -38.8 6.9 -1.3 8.6 51 61 A A H 3<5S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 98.2 59.0 -61.4 -28.2 7.5 -2.6 5.1 52 62 A T T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.598 127.0 -99.7 -72.7 -15.3 10.6 -0.5 4.8 53 63 A G T < 5 + 0 0 18 -3,-2.0 -3,-0.2 -4,-0.3 2,-0.2 0.406 67.4 153.3 112.7 1.6 12.0 -2.2 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.473 21.9-175.2 -65.6 135.4 11.3 0.2 10.7 55 65 A D S S+ 0 0 8 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.499 72.1 13.1 -99.1 -17.4 11.0 -1.6 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.972 65.2-152.8-159.8 148.5 10.0 1.6 16.0 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.5 -2,-0.3 2,-0.5 -0.864 19.0-121.2-123.7 159.9 8.9 5.2 15.2 58 68 A L E -de 35 90B 3 -24,-2.7 -22,-3.4 -2,-0.3 2,-0.6 -0.878 19.3-157.0-100.1 134.1 9.3 8.4 17.1 59 69 A G E -de 36 91B 5 31,-3.0 33,-1.8 -2,-0.5 2,-0.2 -0.941 13.2-138.1-109.8 125.5 6.2 10.4 18.0 60 70 A N - 0 0 11 -24,-2.7 -21,-0.3 -2,-0.6 -22,-0.2 -0.653 13.2-163.9 -71.3 145.1 6.6 14.1 18.6 61 71 A T S > S+ 0 0 0 -2,-0.2 4,-2.9 2,-0.1 5,-0.3 0.670 73.6 73.1 -97.9 -38.2 4.6 15.0 21.7 62 72 A Y H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.904 102.5 39.3 -49.7 -55.9 4.5 18.8 21.3 63 73 A H H >> S+ 0 0 49 1,-0.2 4,-3.5 2,-0.2 3,-1.0 0.937 116.5 52.7 -62.3 -45.1 2.0 18.8 18.4 64 74 A L H 34>S+ 0 0 1 1,-0.3 5,-2.5 2,-0.2 -2,-0.2 0.828 103.4 55.0 -63.0 -31.0 -0.0 16.0 19.9 65 75 A M H 3<5S+ 0 0 34 -4,-2.9 5,-0.4 4,-0.2 -1,-0.3 0.782 116.1 41.1 -70.9 -23.8 -0.4 17.8 23.2 66 76 A L H <<5S+ 0 0 94 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.802 120.7 40.6 -89.6 -43.3 -1.8 20.7 21.2 67 77 A R T <5S+ 0 0 65 -4,-3.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.898 132.1 0.6-158.4 129.0 -3.9 18.7 18.8 68 78 A P T 5S- 0 0 37 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.998 105.4-128.4 -80.0 -5.1 -5.6 16.4 19.1 69 79 A G >< - 0 0 14 -5,-2.5 4,-2.3 -6,-0.2 -4,-0.2 0.054 13.8-105.7 100.0 144.1 -4.6 16.6 22.8 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.914 118.0 49.2 -70.7 -44.4 -3.1 13.9 25.0 71 81 A E H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 111.3 52.3 -63.7 -37.5 -6.2 13.2 27.1 72 82 A R H > S+ 0 0 161 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 109.3 47.9 -61.1 -50.5 -8.2 12.9 23.9 73 83 A I H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 4,-0.3 0.921 111.1 52.0 -60.8 -37.2 -5.8 10.4 22.4 74 84 A A H ><5S+ 0 0 34 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.933 108.7 50.3 -61.8 -42.9 -5.9 8.4 25.7 75 85 A K H 3<5S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.2 55.1 -64.1 -30.4 -9.7 8.4 25.5 76 86 A L T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.445 133.1 -88.5 -83.5 -1.1 -9.6 7.2 22.0 77 87 A G T < 5S- 0 0 56 -3,-1.6 4,-0.4 -4,-0.3 -3,-0.2 0.457 73.1 -71.2 113.3 2.1 -7.4 4.2 23.0 78 88 A G >< - 0 0 10 -5,-3.0 4,-2.4 -6,-0.2 53,-0.2 -0.125 58.0 -69.5 97.0 164.3 -3.9 5.6 22.8 79 89 A L H > S+ 0 0 3 51,-2.5 4,-2.7 1,-0.2 5,-0.3 0.851 125.0 56.9 -64.4 -39.7 -1.5 6.7 20.0 80 90 A H H >>S+ 0 0 14 50,-0.5 4,-1.7 1,-0.2 5,-1.4 0.954 114.5 37.6 -56.3 -49.9 -0.9 3.1 18.7 81 91 A S H 45S+ 0 0 87 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.914 114.9 56.3 -64.1 -41.3 -4.5 2.4 18.1 82 92 A F H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.941 120.4 26.6 -59.8 -49.4 -5.2 6.0 16.9 83 93 A M H <5S- 0 0 32 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.593 108.1-115.3 -95.9 -11.4 -2.6 6.0 14.2 84 94 A G T <5S+ 0 0 51 -4,-1.7 2,-0.5 -5,-0.3 -3,-0.2 0.833 70.5 128.9 83.6 34.9 -2.5 2.2 13.5 85 95 A W < + 0 0 8 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.989 29.4 179.3-120.2 114.6 1.1 1.4 14.5 86 96 A D + 0 0 123 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.372 54.6 82.2-102.3 3.7 1.2 -1.5 16.9 87 97 A R S S- 0 0 71 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.287 95.8 -51.0 -96.8 178.9 5.0 -1.7 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.227 49.3-162.9 -57.6 146.6 7.1 0.4 19.8 89 99 A I E -e 57 0B 1 -33,-0.2 44,-2.1 42,-0.2 45,-2.0 -1.000 6.6-155.4-126.5 130.6 6.9 4.1 19.8 90 100 A L E -ef 58 134B 0 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.5 -0.918 15.7-155.3 -99.9 129.3 9.5 6.4 21.4 91 101 A T E -ef 59 135B 0 43,-2.5 45,-0.9 -2,-0.5 -31,-0.2 -0.906 9.0-134.8-108.4 132.7 8.0 9.8 22.4 92 102 A D - 0 0 25 -33,-1.8 44,-0.1 -2,-0.5 46,-0.1 -0.335 26.7-114.4 -71.8 168.8 10.1 12.9 22.7 93 103 A S - 0 0 7 44,-0.3 -1,-0.1 42,-0.1 33,-0.1 0.657 36.2-121.5 -85.1 -12.9 9.5 15.0 25.8 94 104 A G S > S+ 0 0 2 44,-0.0 4,-2.2 24,-0.0 5,-0.2 0.250 82.1 111.1 97.4 -12.0 8.1 18.1 24.0 95 105 A G H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.866 72.3 50.0 -70.1 -39.8 10.7 20.4 25.4 96 106 A Y H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 115.2 41.2 -69.5 -44.4 12.6 21.2 22.3 97 107 A Q H >>S+ 0 0 32 1,-0.2 4,-3.5 2,-0.2 5,-0.6 0.816 108.3 61.2 -72.6 -34.2 9.6 22.1 20.1 98 108 A V H X5S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.918 111.7 41.2 -58.0 -37.5 8.0 24.0 23.0 99 109 A M H <5S+ 0 0 70 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.884 122.8 37.2 -76.6 -38.5 11.1 26.2 22.8 100 110 A S H <5S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.852 127.0 28.6 -90.5 -22.3 11.4 26.4 19.1 101 111 A L H <5S+ 0 0 97 -4,-3.5 -3,-0.2 -5,-0.1 -1,-0.2 0.574 100.4 86.9-111.2 -7.4 7.8 26.6 17.9 102 112 A S << - 0 0 20 -4,-0.8 3,-0.3 -5,-0.6 2,-0.2 -0.340 67.3-122.2 -91.8 172.1 5.8 28.2 20.7 103 113 A S S S+ 0 0 70 12,-2.2 12,-2.0 1,-0.2 -1,-0.1 -0.680 78.6 5.1-109.2 173.3 5.2 31.8 21.6 104 114 A L S S- 0 0 82 -2,-0.2 -1,-0.2 10,-0.2 9,-0.1 0.750 80.3-164.5 27.4 54.5 5.9 33.9 24.6 105 115 A T - 0 0 53 -3,-0.3 2,-0.4 -6,-0.1 9,-0.2 -0.355 11.7-164.8 -69.6 150.7 7.8 31.2 26.4 106 116 A K E -K 113 0C 51 7,-2.5 7,-2.7 2,-0.0 2,-0.3 -0.936 7.0-160.1-133.5 106.5 8.5 31.5 30.1 107 117 A Q E +K 112 0C 87 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.631 20.1 154.2 -92.1 144.9 11.1 29.2 31.6 108 118 A S - 0 0 47 3,-1.7 3,-0.3 -2,-0.3 -2,-0.0 -0.957 58.7 -94.6-153.0 170.2 11.4 28.4 35.2 109 119 A E S S+ 0 0 67 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.817 123.6 56.4 -59.2 -29.3 12.7 25.7 37.5 110 120 A E S S- 0 0 102 1,-0.3 2,-0.3 9,-0.1 -1,-0.2 0.876 123.0 -85.2 -71.5 -35.2 9.2 24.2 37.5 111 121 A G - 0 0 0 -3,-0.3 -3,-1.7 8,-0.2 2,-0.4 -0.984 55.1 -51.8 158.5-162.3 9.0 23.9 33.8 112 122 A V E -KL 107 118C 2 6,-2.8 6,-2.7 -2,-0.3 2,-0.4 -0.949 34.0-159.6-118.2 134.9 8.1 26.0 30.7 113 123 A T E +K 106 0C 64 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.3 -0.879 27.8 156.3-101.9 141.3 4.9 28.0 30.1 114 124 A F 0 0 41 -2,-0.4 -10,-0.2 -9,-0.2 -9,-0.1 -0.969 360.0 360.0-159.2 167.4 4.1 28.8 26.4 115 125 A K 0 0 83 -12,-2.0 -12,-2.2 -2,-0.3 -10,-0.1 -0.924 360.0 360.0-114.1 360.0 1.4 29.8 23.9 116 ! 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 0.0 117 134 A M 0 0 104 0, 0.0 2,-0.8 0, 0.0 -4,-0.3 0.000 360.0 360.0 360.0 94.2 2.8 24.7 31.8 118 135 A L B +L 112 0C 0 -6,-2.7 -6,-2.8 4,-0.1 3,-0.0 -0.805 360.0 163.8 -86.2 108.5 4.9 21.8 30.5 119 136 A S > - 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0 0 17 -3,-1.5 19,-2.2 1,-0.2 18,-0.3 -0.696 36.2-172.2 -88.0 112.5 15.9 9.3 -16.8 294 311 A L + 0 0 146 -2,-0.8 -1,-0.2 17,-0.2 -4,-0.0 0.526 50.6 106.5 -86.5 -2.3 14.3 5.9 -16.7 295 312 A K S S- 0 0 111 15,-0.1 16,-2.7 1,-0.1 17,-0.2 -0.379 78.3-103.3 -69.1 156.2 16.5 4.5 -14.0 296 313 A P - 0 0 37 0, 0.0 14,-0.1 0, 0.0 10,-0.1 -0.267 41.7 -94.5 -66.9 166.9 15.1 4.0 -10.4 297 314 A L S S+ 0 0 0 12,-0.3 2,-0.4 1,-0.2 -21,-0.1 0.897 114.7 18.3 -50.9 -43.3 16.1 6.6 -7.7 298 315 A D S S- 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 -20,-0.1 -0.996 74.5-137.2-136.9 137.2 18.9 4.3 -6.7 299 316 A S S S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.623 102.2 29.9 -70.1 -19.5 20.4 1.4 -8.7 300 317 A E S S+ 0 0 82 -4,-0.0 -1,-0.2 0, 0.0 -22,-0.0 0.650 85.3 125.2-115.8 -18.3 20.6 -1.1 -5.9 301 318 A C - 0 0 13 1,-0.1 -3,-0.1 -5,-0.0 35,-0.1 -0.113 47.2-154.2 -48.1 133.7 17.7 -0.1 -3.6 302 319 A H + 0 0 166 33,-0.1 -1,-0.1 4,-0.0 5,-0.1 0.338 51.4 124.7 -90.6 3.9 15.2 -2.9 -2.8 303 320 A C S > S- 0 0 10 1,-0.1 4,-1.4 29,-0.1 5,-0.2 -0.197 72.3-116.0 -76.7 161.4 12.3 -0.6 -2.1 304 321 A A H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.799 114.4 56.6 -62.6 -32.1 8.9 -0.8 -3.8 305 322 A V H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.941 108.8 45.1 -67.2 -44.1 9.4 2.6 -5.4 306 323 A C H 4 S+ 0 0 17 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.726 109.7 57.2 -73.9 -19.4 12.6 1.6 -7.1 307 324 A Q H < S+ 0 0 143 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.812 123.4 19.5 -72.4 -32.2 11.0 -1.6 -8.2 308 325 A K H < S+ 0 0 120 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.764 111.5 53.0-119.2 -24.3 8.2 0.2 -10.1 309 326 A W < - 0 0 92 -4,-2.7 -12,-0.3 -5,-0.2 2,-0.2 -0.861 62.8-130.7-126.9 150.2 8.8 3.9 -10.9 310 327 A S > - 0 0 23 -2,-0.3 4,-2.1 -14,-0.1 5,-0.2 -0.515 26.2-115.1 -89.3 160.8 11.4 5.9 -12.7 311 328 A R H > S+ 0 0 25 -16,-2.7 4,-2.9 -18,-0.3 5,-0.2 0.886 117.3 59.8 -50.6 -44.3 13.3 9.0 -11.8 312 329 A A H > S+ 0 0 17 -19,-2.2 4,-2.0 -17,-0.2 -1,-0.2 0.891 106.3 45.1 -57.4 -45.0 11.5 10.7 -14.8 313 330 A Y H > S+ 0 0 83 -20,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 115.2 46.0 -67.0 -43.0 8.1 10.0 -13.3 314 331 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.883 109.8 55.6 -72.1 -33.7 9.0 11.1 -9.8 315 332 A H H X S+ 0 0 15 -4,-2.9 4,-2.5 -25,-0.2 5,-0.2 0.945 110.0 47.0 -51.1 -51.7 10.7 14.2 -11.2 316 333 A H H X S+ 0 0 109 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.951 111.8 49.8 -60.0 -47.1 7.4 15.0 -12.9 317 334 A L H <>S+ 0 0 7 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.914 112.6 45.7 -60.0 -47.4 5.3 14.4 -9.8 318 335 A I H ><5S+ 0 0 13 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.913 113.1 49.2 -66.5 -41.0 7.5 16.6 -7.6 319 336 A R H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.855 111.6 51.1 -66.3 -28.1 7.6 19.4 -10.1 320 337 A A T 3<5S- 0 0 56 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.501 111.8-121.0 -83.9 -4.9 3.9 19.1 -10.4 321 338 A G T < 5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.731 53.2 166.0 73.5 21.4 3.3 19.3 -6.7 322 339 A E >>< - 0 0 109 -5,-2.6 4,-1.1 -6,-0.2 3,-1.0 -0.485 43.2-135.1 -82.3 139.0 1.5 15.9 -6.7 323 340 A I H 3> S+ 0 0 127 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.869 105.4 62.0 -56.7 -38.3 0.9 14.1 -3.4 324 341 A L H 3> S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.851 97.4 59.4 -61.3 -28.9 2.1 10.9 -5.0 325 342 A G H <> S+ 0 0 0 -3,-1.0 4,-2.5 -8,-0.3 5,-0.3 0.951 107.1 45.4 -60.3 -46.1 5.5 12.5 -5.4 326 343 A A H X S+ 0 0 20 -4,-1.1 4,-2.3 -3,-0.3 5,-0.2 0.922 112.9 52.3 -60.7 -45.6 5.8 13.1 -1.7 327 344 A M H X S+ 0 0 73 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 113.6 41.0 -58.4 -50.1 4.6 9.5 -1.0 328 345 A L H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.907 115.3 49.1 -70.7 -42.4 7.2 7.9 -3.3 329 346 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.915 113.4 48.8 -59.4 -41.4 10.1 10.0 -2.3 330 347 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 5,-0.3 0.913 110.9 48.5 -67.9 -43.0 9.3 9.5 1.3 331 348 A E H X S+ 0 0 35 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.944 113.6 47.6 -61.9 -45.1 9.0 5.7 1.0 332 349 A H H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.936 111.8 49.1 -59.9 -48.7 12.2 5.4 -0.9 333 350 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.916 112.8 46.1 -64.2 -38.4 14.1 7.6 1.5 334 351 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 113.1 51.3 -69.2 -36.7 13.0 5.8 4.6 335 352 A A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.898 108.3 51.7 -63.2 -42.7 13.7 2.5 2.9 336 353 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.931 109.8 49.4 -57.8 -47.8 17.2 3.7 2.1 337 354 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.8 48.5 -61.1 -41.6 17.8 4.6 5.7 338 355 A Q H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.876 110.7 50.9 -65.1 -39.4 16.5 1.1 6.8 339 356 A Q H X S+ 0 0 31 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.891 108.7 52.1 -65.6 -36.4 18.8 -0.5 4.3 340 357 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.944 109.8 48.8 -61.1 -47.7 21.7 1.5 5.6 341 358 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.892 111.0 50.6 -61.6 -38.3 20.9 0.4 9.1 342 359 A Q H X S+ 0 0 60 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.910 109.5 49.9 -65.4 -40.3 20.7 -3.3 8.0 343 360 A K H X S+ 0 0 78 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.881 112.4 48.9 -63.9 -39.0 24.1 -3.0 6.2 344 361 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.947 112.1 47.4 -65.3 -48.3 25.5 -1.5 9.4 345 362 A R H X S+ 0 0 11 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.924 114.7 46.1 -58.2 -47.5 24.1 -4.3 11.6 346 363 A D H X S+ 0 0 65 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.902 111.5 51.0 -66.0 -38.9 25.3 -7.1 9.3 347 364 A S H <>S+ 0 0 0 -4,-2.3 5,-3.1 -5,-0.2 6,-0.6 0.886 111.4 47.3 -70.2 -36.0 28.7 -5.7 8.9 348 365 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.931 111.0 52.7 -64.3 -44.6 29.2 -5.3 12.7 349 366 A S H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 113.7 43.8 -55.3 -33.5 27.9 -8.8 13.1 350 367 A E T 3<5S- 0 0 122 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.358 113.2-115.7 -96.7 2.4 30.5 -10.0 10.6 351 368 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.812 90.9 101.2 72.4 27.9 33.4 -8.0 11.9 352 369 A R >< + 0 0 109 -5,-3.1 4,-2.0 -6,-0.2 -4,-0.2 0.042 35.7 113.4-136.1 26.4 33.7 -5.9 8.8 353 370 A F H > S+ 0 0 4 -6,-0.6 4,-3.1 2,-0.2 5,-0.3 0.889 74.4 56.8 -69.3 -37.7 32.0 -2.7 9.8 354 371 A S H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 110.7 45.5 -60.4 -42.6 35.2 -0.6 9.6 355 372 A Q H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 111.8 52.5 -65.6 -39.3 35.6 -1.7 6.0 356 373 A F H X S+ 0 0 26 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.919 107.7 51.2 -59.6 -45.9 32.0 -1.0 5.3 357 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.923 112.6 45.6 -59.8 -42.8 32.2 2.5 6.7 358 375 A Q H X S+ 0 0 104 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.941 115.0 46.9 -67.0 -41.9 35.2 3.3 4.5 359 376 A D H X S+ 0 0 91 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.895 112.3 51.4 -65.4 -42.8 33.6 1.8 1.4 360 377 A F H X S+ 0 0 10 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.939 111.8 46.7 -57.7 -50.3 30.4 3.7 2.1 361 378 A R H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 108.6 53.3 -62.0 -44.3 32.2 7.0 2.5 362 379 A A H < S+ 0 0 71 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.897 118.4 35.9 -64.9 -35.1 34.3 6.6 -0.6 363 380 A R H >< S+ 0 0 83 -4,-1.8 3,-0.7 2,-0.2 -1,-0.2 0.896 114.3 54.2 -84.5 -39.1 31.3 6.0 -2.8 364 381 A Y H 3< S+ 0 0 14 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.856 117.9 37.8 -63.3 -33.7 28.8 8.3 -1.1 365 382 A F T 3< 0 0 114 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.517 360.0 360.0 -97.4 -1.2 31.1 11.2 -1.5 366 383 A A < 0 0 115 -3,-0.7 -3,-0.1 -4,-0.4 -4,-0.0 0.023 360.0 360.0 -60.4 360.0 32.5 10.4 -4.9