==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-12 4FCE . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR B.NOCEK,M.KUHN,M.GU,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STR . 441 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.1 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 . 3 0.7 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 . 51 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 7 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A S 0 0 137 0, 0.0 2,-0.2 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0-176.3 30.7 19.8 41.9 2 5 A S - 0 0 34 87,-0.4 89,-2.6 43,-0.0 2,-0.3 -0.503 360.0-166.6 -87.0 160.6 29.1 18.5 38.7 3 6 A M E -a 91 0A 14 41,-0.4 43,-2.7 87,-0.2 44,-0.3 -0.998 17.0-171.2-153.2 142.8 25.4 18.9 38.1 4 7 A S E -a 92 0A 0 87,-2.6 89,-2.5 -2,-0.3 2,-0.4 -0.913 20.4-131.0-131.1 165.7 22.5 17.8 35.9 5 8 A V E -ab 93 48A 0 42,-2.7 44,-3.4 -2,-0.3 2,-0.5 -0.903 6.3-157.7-122.1 140.8 18.9 19.1 35.6 6 9 A V E -ab 94 49A 0 87,-3.5 89,-3.3 -2,-0.4 2,-0.6 -0.981 12.5-165.8-112.5 120.4 15.5 17.5 35.6 7 10 A I E -ab 95 50A 0 42,-2.5 44,-2.2 -2,-0.5 2,-0.6 -0.918 12.6-144.0-105.2 118.8 12.8 19.6 33.9 8 11 A L E +ab 96 51A 13 87,-2.7 89,-2.9 -2,-0.6 90,-0.3 -0.723 34.1 155.5 -85.4 122.0 9.2 18.5 34.6 9 12 A A E + b 0 52A 14 42,-2.3 44,-0.5 -2,-0.6 14,-0.2 -0.090 43.3 96.4-134.5 33.8 7.0 18.9 31.5 10 13 A A + 0 0 19 42,-0.2 64,-0.2 43,-0.1 42,-0.1 0.089 47.6 119.7-123.6 20.7 4.3 16.3 32.1 11 14 A G - 0 0 66 -3,-0.1 2,-0.6 1,-0.1 43,-0.2 -0.379 70.0-104.4 -78.7 164.3 1.4 18.2 33.7 12 15 A K - 0 0 87 -2,-0.1 2,-0.4 1,-0.1 3,-0.3 -0.837 25.8-160.7 -88.2 120.3 -2.1 18.4 32.2 13 16 A G >> + 0 0 25 -2,-0.6 3,-2.3 1,-0.2 4,-0.5 -0.225 35.3 147.1 -93.4 46.0 -2.5 21.9 30.7 14 17 A T G >4 + 0 0 98 -2,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.867 65.5 55.9 -52.5 -45.0 -6.3 21.8 30.7 15 18 A R G 34 S+ 0 0 167 -3,-0.3 207,-0.5 1,-0.3 -1,-0.3 0.432 93.5 70.0 -75.6 4.2 -6.9 25.5 31.3 16 19 A M G <4 S- 0 0 3 -3,-2.3 -1,-0.3 205,-0.2 -2,-0.2 0.698 88.8-150.4 -80.9 -23.0 -4.7 26.4 28.3 17 20 A Y << + 0 0 181 -3,-1.7 2,-0.3 -4,-0.5 -3,-0.1 0.952 49.1 132.2 48.6 59.0 -7.5 25.0 26.0 18 21 A S - 0 0 45 -5,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.944 66.4-144.6-141.0 153.3 -4.9 24.2 23.4 19 22 A D S S+ 0 0 173 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.452 85.7 86.5 -92.1 -6.4 -3.9 21.3 21.2 20 23 A L S S- 0 0 63 -4,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.838 96.4-102.1 -95.1 126.9 -0.3 22.5 21.7 21 24 A P > - 0 0 30 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.171 35.1-118.9 -46.1 137.0 1.5 21.0 24.8 22 25 A K G > S+ 0 0 21 1,-0.3 3,-1.7 -11,-0.2 10,-0.2 0.848 109.1 55.5 -51.9 -44.7 1.5 23.7 27.4 23 26 A V G 3 S+ 0 0 9 1,-0.3 10,-2.3 -14,-0.2 11,-0.3 0.642 100.3 62.7 -72.6 -8.7 5.3 24.0 27.8 24 27 A L G < S+ 0 0 7 -3,-1.9 -1,-0.3 7,-0.2 -2,-0.2 0.609 74.0 112.0 -86.3 -13.2 5.6 24.7 24.1 25 28 A H S < S- 0 0 7 -3,-1.7 7,-2.2 -4,-0.5 8,-0.1 -0.415 72.4-116.5 -62.6 134.2 3.6 27.9 24.3 26 29 A P E -I 31 0B 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.311 25.9-167.9 -83.9 154.6 5.9 30.8 23.5 27 30 A L E > S-I 30 0B 0 3,-2.7 3,-1.5 -2,-0.1 199,-0.0 -0.986 86.5 -8.8-133.9 123.8 7.1 33.7 25.6 28 31 A A T 3 S- 0 0 8 -2,-0.4 -1,-0.1 1,-0.3 226,-0.0 0.850 134.3 -52.4 53.3 37.8 8.9 36.4 23.7 29 32 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 227,-0.1 227,-0.1 0.482 122.1 96.4 86.1 1.5 8.9 34.1 20.6 30 33 A K E < S-I 27 0B 72 -3,-1.5 -3,-2.7 -5,-0.1 -1,-0.2 -0.989 83.0-101.5-130.4 130.8 10.5 31.1 22.4 31 34 A P E >> -I 26 0B 31 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.164 33.3-121.7 -45.4 136.7 8.7 28.1 23.9 32 35 A M H >> S+ 0 0 0 -7,-2.2 4,-1.4 1,-0.3 3,-0.5 0.891 113.0 54.0 -47.7 -47.7 8.5 28.4 27.7 33 36 A V H 3> S+ 0 0 0 -10,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.777 101.5 59.2 -62.5 -27.2 10.5 25.2 28.2 34 37 A Q H <> S+ 0 0 46 -3,-1.4 4,-2.8 -11,-0.3 -1,-0.2 0.856 100.3 55.7 -73.2 -34.5 13.3 26.5 26.0 35 38 A H H S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 4,-0.7 0.917 108.9 48.9 -62.7 -43.9 20.1 25.0 32.5 41 44 A M H ><5S+ 0 0 124 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.909 108.6 54.4 -63.9 -36.9 22.7 25.2 29.9 42 45 A K H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 103.7 56.0 -66.4 -28.9 24.0 28.5 31.3 43 46 A L H 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.693 120.6-110.9 -75.1 -19.3 24.3 26.7 34.7 44 47 A G T <<5 - 0 0 49 -3,-1.1 -41,-0.4 -4,-0.7 -3,-0.2 0.753 46.3-176.1 93.2 28.8 26.6 24.1 33.1 45 48 A A < - 0 0 23 -5,-1.9 -41,-0.3 1,-0.2 -1,-0.2 -0.323 19.4-156.1 -56.0 135.8 24.2 21.2 33.3 46 49 A Q S S+ 0 0 123 -43,-2.7 2,-0.3 1,-0.3 -42,-0.2 0.775 81.0 15.2 -84.4 -32.2 25.9 18.0 32.0 47 50 A H - 0 0 98 -44,-0.3 -42,-2.7 2,-0.0 2,-0.5 -0.992 63.8-152.2-138.0 146.0 22.6 16.4 31.2 48 51 A V E -b 5 0A 29 -2,-0.3 2,-0.7 -44,-0.2 -42,-0.2 -0.975 14.5-161.2-115.6 113.9 19.0 17.8 30.9 49 52 A H E -b 6 0A 5 -44,-3.4 -42,-2.5 -2,-0.5 2,-0.7 -0.852 4.7-164.2 -97.2 113.3 16.4 15.2 31.7 50 53 A L E -bc 7 66A 8 15,-1.9 17,-2.8 -2,-0.7 2,-0.5 -0.853 2.5-158.8-104.0 114.2 13.0 16.1 30.3 51 54 A V E +bc 8 67A 0 -44,-2.2 -42,-2.3 -2,-0.7 2,-0.3 -0.804 19.9 174.4 -93.9 126.9 10.1 14.2 31.8 52 55 A Y E -bc 9 68A 21 15,-2.0 17,-2.9 -2,-0.5 -42,-0.2 -0.899 30.5-171.5-132.8 159.6 6.9 14.2 29.6 53 56 A G S S- 0 0 18 -44,-0.5 3,-0.2 1,-0.5 2,-0.2 0.703 74.2 -3.2-105.0 -77.5 3.4 12.7 29.4 54 57 A H S S+ 0 0 168 -43,-0.2 -1,-0.5 1,-0.2 -43,-0.0 -0.676 110.2 49.6-116.4 171.3 1.9 13.5 26.1 55 58 A G > + 0 0 30 -2,-0.2 4,-2.9 -3,-0.1 5,-0.2 0.691 62.9 144.8 74.7 19.1 3.0 15.5 23.0 56 59 A G H > + 0 0 11 -3,-0.2 4,-2.3 1,-0.2 5,-0.2 0.837 66.9 53.6 -57.8 -36.1 6.3 13.7 23.1 57 60 A E H > S+ 0 0 178 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.954 114.2 39.2 -63.7 -52.6 6.5 13.7 19.3 58 61 A L H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.854 113.8 56.8 -68.5 -35.1 6.0 17.4 18.9 59 62 A L H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.951 112.0 40.1 -60.9 -50.2 8.2 18.1 21.9 60 63 A K H < S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 113.6 55.3 -68.4 -36.5 11.2 16.2 20.5 61 64 A K H < S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.833 115.7 39.2 -62.0 -33.1 10.4 17.7 17.0 62 65 A T H < 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.824 360.0 360.0 -89.3 -34.7 10.6 21.2 18.6 63 66 A L < 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -4,-0.0 -0.893 360.0 360.0-114.7 360.0 13.5 20.8 21.0 64 ! 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 65 72 A N 0 0 93 0, 0.0 -15,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 112.8 17.5 13.1 27.6 66 73 A W E -c 50 0A 72 -17,-0.2 2,-0.5 -15,-0.1 -15,-0.2 -0.512 360.0-172.9 -80.8 130.5 13.8 12.3 27.0 67 74 A V E -c 51 0A 7 -17,-2.8 -15,-2.0 -2,-0.3 2,-0.2 -0.944 14.3-140.1-131.9 110.4 12.1 10.5 29.9 68 75 A L E -c 52 0A 93 -2,-0.5 2,-0.5 -17,-0.2 -15,-0.2 -0.422 13.2-170.5 -74.5 136.7 8.5 9.1 29.6 69 76 A Q - 0 0 6 -17,-2.9 9,-0.1 -2,-0.2 3,-0.1 -0.916 9.6-174.3-116.6 101.3 6.0 9.3 32.3 70 77 A A S S+ 0 0 86 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.899 70.5 41.5 -65.1 -43.8 3.3 7.0 30.9 71 78 A E S S- 0 0 58 -3,-0.1 2,-2.6 3,-0.1 -1,-0.2 -0.930 84.2-127.9-110.8 122.6 0.7 7.7 33.6 72 79 A Q + 0 0 91 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.424 54.7 146.8 -64.0 79.0 0.2 11.2 35.0 73 80 A L - 0 0 35 -2,-2.6 116,-0.6 1,-0.3 4,-0.3 0.188 59.3 -90.9-106.0 13.0 0.6 10.0 38.6 74 81 A G > - 0 0 35 -64,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.297 44.7 -62.6 107.4 174.8 2.3 13.2 39.9 75 82 A T H > S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.887 126.2 51.8 -70.2 -44.6 5.7 14.9 40.4 76 83 A G H > S+ 0 0 0 113,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.955 114.6 44.8 -53.9 -50.5 7.1 12.4 42.9 77 84 A H H > S+ 0 0 44 112,-0.5 4,-1.5 -4,-0.3 -2,-0.2 0.901 110.6 55.3 -61.6 -41.1 6.2 9.6 40.4 78 85 A A H X S+ 0 0 4 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.931 109.4 45.9 -56.5 -46.8 7.6 11.7 37.6 79 86 A M H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.3 3,-0.5 0.860 105.2 60.8 -68.1 -34.5 10.9 12.0 39.5 80 87 A Q H < S+ 0 0 48 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.859 102.1 54.8 -56.9 -34.1 10.9 8.3 40.2 81 88 A Q H < S+ 0 0 63 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.816 114.4 38.1 -70.3 -31.1 10.9 7.8 36.4 82 89 A A H >< S+ 0 0 0 -4,-1.0 3,-2.6 -3,-0.5 4,-0.4 0.690 93.2 89.1 -89.5 -22.1 14.1 10.0 36.0 83 90 A A G >< S+ 0 0 10 -4,-2.1 3,-2.2 1,-0.3 -2,-0.1 0.826 78.6 60.4 -53.3 -41.7 15.9 8.8 39.1 84 91 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 101.6 57.1 -58.9 -18.7 17.6 5.8 37.4 85 92 A H G < S+ 0 0 90 -3,-2.6 2,-0.2 -4,-0.1 -2,-0.2 0.517 85.4 103.1 -89.7 -7.1 19.3 8.4 35.1 86 93 A F S < S- 0 0 7 -3,-2.2 2,-0.3 -4,-0.4 6,-0.1 -0.562 70.7-130.4 -76.9 138.7 20.8 10.3 38.0 87 94 A A > - 0 0 32 -2,-0.2 3,-1.4 1,-0.1 83,-0.4 -0.705 10.6-134.2 -84.3 140.3 24.5 9.8 38.8 88 95 A D T 3 S+ 0 0 94 -2,-0.3 83,-1.0 1,-0.3 84,-0.2 0.746 105.7 51.2 -61.2 -23.3 25.3 9.1 42.4 89 96 A D T 3 S+ 0 0 123 81,-0.1 -87,-0.4 80,-0.1 2,-0.3 0.121 98.5 77.2-108.3 19.4 28.1 11.7 42.2 90 97 A E S < S- 0 0 6 -3,-1.4 80,-2.8 -89,-0.1 2,-0.3 -0.918 76.1-115.1-126.3 155.5 26.2 14.7 40.7 91 98 A D E -aD 3 169A 20 -89,-2.6 -87,-2.6 -2,-0.3 2,-0.5 -0.639 28.4-147.6 -80.1 144.9 23.9 17.4 42.0 92 99 A I E -aD 4 168A 0 76,-2.7 76,-1.5 -2,-0.3 2,-0.5 -0.969 7.1-160.7-121.2 119.9 20.4 17.2 40.5 93 100 A L E -aD 5 167A 0 -89,-2.5 -87,-3.5 -2,-0.5 2,-0.6 -0.872 8.5-148.9-102.6 128.8 18.4 20.4 40.0 94 101 A M E +aD 6 166A 2 72,-2.8 72,-0.8 -2,-0.5 2,-0.3 -0.858 25.4 166.1-100.3 119.3 14.6 20.1 39.6 95 102 A L E -a 7 0A 0 -89,-3.3 -87,-2.7 -2,-0.6 2,-0.4 -0.846 29.7-122.9-128.1 168.8 12.9 22.7 37.4 96 103 A Y E > -a 8 0A 41 -2,-0.3 3,-1.4 -89,-0.2 -87,-0.2 -0.925 8.7-141.3-117.3 136.7 9.5 23.1 35.8 97 104 A G T 3 S+ 0 0 0 -89,-2.9 -61,-0.2 -2,-0.4 -62,-0.1 0.646 102.9 52.9 -67.3 -16.0 8.9 23.6 32.1 98 105 A D T 3 S+ 0 0 29 -90,-0.3 121,-2.2 1,-0.1 -1,-0.3 0.085 89.3 78.2-110.4 22.3 6.1 26.1 32.8 99 106 A V X + 0 0 12 -3,-1.4 3,-0.8 119,-0.2 -3,-0.2 -0.755 58.8 167.0-123.6 80.7 8.1 28.4 35.1 100 107 A P T 3 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 0.614 58.6 58.9 -82.0 -15.3 10.0 30.3 32.4 101 108 A L T 3 + 0 0 17 113,-0.4 115,-0.1 116,-0.4 2,-0.1 0.296 63.2 135.9-102.6 10.8 11.5 33.3 34.1 102 109 A I < - 0 0 10 -3,-0.8 2,-0.2 115,-0.1 114,-0.1 -0.367 52.4-131.6 -56.9 127.8 13.6 31.5 36.8 103 110 A S > - 0 0 22 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.546 9.9-130.0 -92.4 150.8 17.0 33.3 36.7 104 111 A V H > S+ 0 0 37 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.858 109.3 58.4 -60.3 -34.8 20.4 31.9 36.5 105 112 A D H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 106.1 46.6 -62.0 -50.6 21.4 34.0 39.5 106 113 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.9 48.3 -55.6 -48.5 18.7 32.6 41.7 107 114 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.861 109.2 53.0 -62.9 -36.2 19.6 29.0 40.7 108 115 A Q H X S+ 0 0 100 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 110.7 46.8 -65.6 -42.6 23.4 29.6 41.3 109 116 A R H X S+ 0 0 83 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.864 110.8 54.0 -65.3 -36.0 22.6 30.8 44.8 110 117 A L H X S+ 0 0 1 -4,-2.2 4,-0.9 -5,-0.2 3,-0.4 0.951 109.4 46.2 -62.6 -49.7 20.4 27.8 45.2 111 118 A L H >< S+ 0 0 40 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.868 111.8 53.0 -59.9 -37.0 23.2 25.4 44.2 112 119 A A H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 107.2 52.0 -68.9 -29.3 25.6 27.3 46.5 113 120 A A H 3< S+ 0 0 33 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.603 76.7 115.7 -86.4 -13.0 23.3 27.0 49.5 114 121 A K << - 0 0 32 -4,-0.9 6,-0.2 -3,-0.5 2,-0.2 -0.416 64.6-133.5 -61.8 117.9 22.7 23.2 49.4 115 122 A P > - 0 0 33 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 -0.489 34.3 -86.7 -73.1 143.0 24.2 21.7 52.5 116 123 A E T 3 S+ 0 0 176 1,-0.3 88,-0.3 -2,-0.2 3,-0.1 -0.216 115.3 4.2 -46.6 126.3 26.4 18.6 52.1 117 124 A G T 3 S+ 0 0 8 1,-0.2 -1,-0.3 86,-0.1 86,-0.1 0.369 125.2 76.0 79.3 -4.3 24.2 15.5 52.1 118 125 A G S < S- 0 0 0 -3,-3.0 51,-0.5 85,-0.1 2,-0.4 0.104 80.1 -78.3-115.1-139.9 21.0 17.7 52.3 119 126 A I E -Ef 168 205A 0 85,-2.4 87,-2.2 49,-0.1 2,-0.5 -0.991 12.6-146.9-139.4 141.9 18.8 19.8 50.1 120 127 A G E -Ef 167 206A 0 47,-2.7 47,-2.5 -2,-0.4 2,-0.4 -0.943 27.4-171.0-101.7 127.2 18.7 23.3 48.6 121 128 A L E -Ef 166 207A 0 85,-2.8 87,-1.4 -2,-0.5 2,-0.5 -0.978 17.5-143.3-127.0 125.2 15.1 24.5 48.4 122 129 A L E + f 0 208A 0 43,-2.9 41,-1.6 -2,-0.4 43,-0.4 -0.737 31.1 169.6 -86.1 124.3 13.8 27.7 46.7 123 130 A T E -E 162 0A 0 85,-2.4 2,-0.3 -2,-0.5 39,-0.2 -0.893 17.4-158.2-130.7 163.9 11.0 29.3 48.6 124 131 A V E -E 161 0A 9 37,-2.0 37,-3.2 -2,-0.3 2,-0.6 -0.997 16.9-129.3-144.5 146.2 9.2 32.6 48.4 125 132 A K E -E 160 0A 139 -2,-0.3 2,-0.3 35,-0.3 35,-0.2 -0.860 29.6-167.3-100.2 122.0 7.1 34.7 50.8 126 133 A L - 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