==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-07 2OI5 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.R.OLSEN,M.W.VETTING,S.L.RODERICK . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 240 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.2 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 . 6 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 . 101 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 3 4 2 2 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 30 12 4 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 N 0 0 126 0, 0.0 93,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-179.3 -39.9 42.1 131.7 2 5 A A + 0 0 48 91,-0.3 93,-3.0 43,-0.0 2,-0.3 -0.284 360.0 178.3 -68.2 144.6 -38.5 39.5 134.1 3 6 A M E -a 95 0A 3 41,-0.3 43,-2.9 91,-0.3 44,-0.3 -0.985 13.7-171.5-151.9 134.0 -34.8 38.9 134.4 4 7 A S E -a 96 0A 0 91,-2.8 93,-2.4 -2,-0.3 2,-0.4 -0.893 18.4-135.7-120.7 158.2 -32.5 36.7 136.4 5 8 A V E -ab 97 48A 0 42,-2.7 44,-3.4 -2,-0.3 2,-0.5 -0.900 7.1-158.7-118.5 144.2 -28.7 36.8 136.5 6 9 A V E -ab 98 49A 0 91,-3.1 93,-3.0 -2,-0.4 2,-0.6 -0.985 7.5-163.1-120.4 127.3 -26.1 34.0 136.4 7 10 A I E -ab 99 50A 0 42,-3.6 44,-2.7 -2,-0.5 2,-0.7 -0.948 9.3-149.1-111.8 115.8 -22.6 34.7 137.8 8 11 A L E +ab 100 51A 18 91,-2.8 93,-2.6 -2,-0.6 94,-0.3 -0.771 36.3 148.1 -86.7 115.3 -19.9 32.3 136.8 9 12 A A + 0 0 17 42,-2.5 44,-0.5 -2,-0.7 14,-0.2 -0.071 36.9 102.4-134.4 34.7 -17.3 32.1 139.6 10 13 A A + 0 0 8 42,-0.3 42,-0.1 43,-0.1 66,-0.1 0.428 50.0 108.4-102.6 -0.3 -16.1 28.5 139.4 11 14 A G S S- 0 0 61 1,-0.1 2,-0.5 -3,-0.1 42,-0.2 -0.178 75.4-102.7 -67.9 170.0 -12.7 29.1 137.7 12 15 A K - 0 0 85 64,-0.1 2,-1.2 9,-0.1 3,-0.2 -0.860 17.3-150.5-102.6 128.2 -9.5 28.6 139.7 13 16 A G > + 0 0 28 -2,-0.5 3,-0.9 1,-0.2 5,-0.4 -0.494 36.4 152.9 -92.5 65.3 -7.6 31.7 140.9 14 17 A T G > + 0 0 112 -2,-1.2 3,-1.7 1,-0.2 2,-0.4 0.922 62.6 59.1 -59.9 -53.2 -4.1 30.1 140.8 15 18 A R G 3 S+ 0 0 150 1,-0.2 211,-0.5 -3,-0.2 -1,-0.2 0.175 90.9 75.9 -68.1 23.8 -1.9 33.3 140.3 16 19 A M G < S- 0 0 4 -3,-0.9 -1,-0.2 -2,-0.4 -2,-0.2 0.685 84.8-146.0-104.1 -23.9 -3.3 34.8 143.6 17 20 A Y < + 0 0 216 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.1 0.960 52.4 137.2 55.4 53.3 -1.2 32.6 146.0 18 21 A S - 0 0 43 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.908 63.3-151.6-133.3 154.8 -4.1 32.6 148.4 19 22 A D S S+ 0 0 169 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.347 86.7 82.6 -96.7 -0.1 -6.0 30.3 150.7 20 23 A L S S- 0 0 65 -4,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.912 97.8-102.3-105.2 126.2 -9.0 32.5 150.1 21 24 A P > - 0 0 28 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.170 34.6-118.0 -45.0 134.9 -11.1 31.9 146.9 22 25 A K G > S+ 0 0 25 1,-0.3 3,-2.4 2,-0.2 10,-0.2 0.835 109.7 56.2 -43.0 -54.1 -10.2 34.6 144.3 23 26 A V G 3 S+ 0 0 9 1,-0.3 10,-2.6 -14,-0.2 11,-0.4 0.574 99.8 63.1 -63.2 -8.5 -13.7 36.2 144.0 24 27 A L G < S+ 0 0 13 -3,-2.3 -1,-0.3 7,-0.2 -2,-0.2 0.588 75.5 108.7 -91.4 -12.5 -13.7 36.8 147.8 25 28 A H S < S- 0 0 15 -3,-2.4 7,-2.4 -4,-0.4 2,-0.2 -0.392 73.9-114.1 -64.4 140.8 -10.7 39.2 147.6 26 29 A T E -J 31 0B 82 5,-0.2 2,-0.4 6,-0.1 5,-0.3 -0.452 28.3-171.9 -88.6 154.0 -11.8 42.7 148.3 27 30 A L E > S-J 30 0B 0 3,-2.8 3,-1.2 -2,-0.2 203,-0.0 -0.985 86.7 -6.9-136.2 123.0 -12.0 45.8 146.2 28 31 A A T 3 S- 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.887 133.7 -53.5 55.9 42.9 -13.0 49.0 148.2 29 32 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 249,-0.1 -1,-0.3 0.662 121.7 96.2 69.8 13.7 -13.7 46.9 151.3 30 33 A K E < S-J 27 0B 69 -3,-1.2 -3,-2.8 -5,-0.0 -1,-0.2 -0.997 82.7 -97.2-138.7 139.8 -16.1 44.5 149.5 31 34 A A E >> -J 26 0B 14 -2,-0.4 4,-1.9 -5,-0.3 3,-0.8 -0.227 32.4-125.1 -50.7 135.3 -15.6 41.0 147.9 32 35 A M H 3> S+ 0 0 0 -7,-2.4 4,-1.3 1,-0.3 3,-0.4 0.921 113.3 50.8 -47.4 -48.4 -15.2 41.3 144.2 33 36 A V H 3> S+ 0 0 0 -10,-2.6 4,-2.1 1,-0.3 -1,-0.3 0.796 103.2 59.2 -67.0 -24.7 -18.1 38.9 143.7 34 37 A Q H <> S+ 0 0 30 -3,-0.8 4,-2.9 -11,-0.4 -1,-0.3 0.873 100.5 56.4 -70.5 -35.9 -20.3 41.0 146.0 35 38 A H H X S+ 0 0 20 -4,-1.9 4,-2.1 -3,-0.4 -1,-0.2 0.929 109.9 46.0 -57.5 -42.3 -19.7 44.0 143.6 36 39 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 65,-0.2 -2,-0.2 0.906 111.8 50.2 -68.9 -39.7 -21.1 41.7 140.8 37 40 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.893 109.3 51.6 -65.7 -41.1 -24.1 40.6 142.9 38 41 A D H X S+ 0 0 44 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.898 109.1 51.6 -63.8 -39.6 -24.9 44.2 143.8 39 42 A A H X S+ 0 0 7 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.926 109.2 50.1 -61.3 -47.7 -24.8 45.1 140.1 40 43 A A H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.6 0.952 115.1 42.1 -55.9 -50.4 -27.2 42.2 139.4 41 44 A N H ><5S+ 0 0 51 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.884 111.1 55.6 -65.2 -39.1 -29.7 43.3 142.1 42 45 A E H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 105.1 54.2 -62.3 -30.4 -29.3 47.0 141.2 43 46 A L H 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.673 128.6 -98.0 -78.7 -16.0 -30.3 46.0 137.6 44 47 A G T <<5 + 0 0 51 -3,-1.0 -41,-0.3 -4,-0.6 -3,-0.2 0.620 55.4 178.1 110.1 17.3 -33.5 44.3 138.9 45 48 A A < - 0 0 11 -5,-2.1 -41,-0.2 -6,-0.2 -1,-0.2 -0.284 20.6-161.7 -58.2 130.7 -32.6 40.6 139.0 46 49 A A S S+ 0 0 50 -43,-2.9 2,-0.4 1,-0.3 -42,-0.2 0.931 81.2 12.2 -74.0 -50.6 -35.3 38.4 140.4 47 50 A H - 0 0 98 -44,-0.3 -42,-2.7 -7,-0.0 2,-0.6 -0.971 65.5-151.8-129.9 145.5 -32.8 35.6 141.1 48 51 A V E -bc 5 68A 0 19,-2.8 21,-3.0 -2,-0.4 2,-0.6 -0.947 12.1-158.0-117.5 112.4 -29.0 35.5 141.1 49 52 A H E -bc 6 69A 4 -44,-3.4 -42,-3.6 -2,-0.6 2,-0.6 -0.780 5.1-162.1 -91.2 122.9 -27.5 32.2 140.3 50 53 A L E -bc 7 70A 1 19,-2.3 21,-3.2 -2,-0.6 2,-0.7 -0.916 2.0-159.4-109.2 112.5 -23.9 31.8 141.6 51 54 A V E +bc 8 71A 0 -44,-2.7 -42,-2.5 -2,-0.6 2,-0.3 -0.832 21.8 168.9 -95.8 117.8 -21.9 29.0 140.0 52 55 A Y E - c 0 72A 39 19,-2.4 21,-2.4 -2,-0.7 -42,-0.3 -0.875 30.7-166.6-127.3 161.1 -19.0 27.9 142.1 53 56 A G S S- 0 0 20 -44,-0.5 2,-0.3 1,-0.4 -43,-0.1 0.651 71.1 -13.7-115.0 -34.5 -16.5 25.0 142.1 54 57 A H S S+ 0 0 172 1,-0.1 -1,-0.4 2,-0.0 5,-0.0 -0.976 101.4 64.1-162.4 171.4 -14.9 25.2 145.6 55 58 A G > + 0 0 13 -2,-0.3 4,-3.2 -3,-0.1 5,-0.2 0.652 60.6 150.2 78.1 17.9 -14.4 27.3 148.7 56 59 A G H > + 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 64.9 53.0 -51.7 -41.0 -18.1 26.9 149.1 57 60 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.977 113.4 42.7 -60.4 -55.1 -17.9 27.2 152.9 58 61 A L H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 115.2 50.4 -55.3 -47.4 -16.0 30.5 152.7 59 62 A L H X S+ 0 0 3 -4,-3.2 4,-3.6 1,-0.2 -1,-0.2 0.941 111.1 48.2 -57.5 -49.4 -18.3 31.8 149.9 60 63 A K H < S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.4 51.3 -61.6 -34.8 -21.4 31.0 151.9 61 64 A Q H < S+ 0 0 110 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 118.8 36.4 -67.7 -42.2 -20.0 32.6 155.0 62 65 A A H < S+ 0 0 55 -4,-2.4 2,-0.6 -5,-0.2 -2,-0.2 0.852 113.7 58.3 -78.8 -37.3 -19.2 35.8 153.1 63 66 A L < + 0 0 4 -4,-3.6 -1,-0.1 -5,-0.2 -39,-0.0 -0.849 50.1 153.5-102.9 121.4 -22.1 36.0 150.7 64 67 A K + 0 0 170 -2,-0.6 2,-0.3 -3,-0.0 -1,-0.1 -0.037 12.3 149.7-137.9 37.7 -25.6 36.1 152.2 65 68 A D > - 0 0 38 1,-0.1 3,-1.5 2,-0.1 -17,-0.1 -0.576 47.0-132.2 -75.2 133.6 -27.9 37.8 149.7 66 69 A D T 3 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.841 101.1 53.0 -52.8 -43.9 -31.4 36.5 150.0 67 70 A N T 3 S+ 0 0 43 -22,-0.1 -19,-2.8 2,-0.1 2,-0.5 0.056 80.8 126.4 -86.6 26.5 -32.1 35.9 146.3 68 71 A L E < -c 48 0A 21 -3,-1.5 2,-0.7 -21,-0.2 -19,-0.2 -0.735 41.1-166.0 -88.0 124.9 -28.9 33.8 145.8 69 72 A N E -c 49 0A 50 -21,-3.0 -19,-2.3 -2,-0.5 2,-0.4 -0.934 17.6-142.2-111.1 110.8 -29.3 30.4 144.2 70 73 A W E -c 50 0A 57 -2,-0.7 2,-0.5 -21,-0.2 -19,-0.2 -0.607 19.3-172.9 -78.4 125.0 -26.1 28.4 144.7 71 74 A V E -c 51 0A 6 -21,-3.2 -19,-2.4 -2,-0.4 2,-0.3 -0.963 13.1-141.8-123.4 124.3 -25.1 26.2 141.7 72 75 A L E -c 52 0A 87 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.623 17.2-178.1 -88.7 142.4 -22.3 23.8 141.8 73 76 A Q - 0 0 7 -21,-2.4 9,-0.1 -2,-0.3 -2,-0.0 -0.841 7.0-179.1-133.4 90.3 -19.9 23.1 138.9 74 77 A A S S+ 0 0 71 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.910 72.3 38.9 -59.6 -46.7 -17.6 20.4 140.3 75 78 A E S S- 0 0 123 6,-0.1 2,-1.6 3,-0.0 -1,-0.1 -0.922 81.2-135.3-110.4 133.9 -15.5 20.1 137.2 76 79 A Q + 0 0 79 -2,-0.4 3,-0.1 1,-0.2 -64,-0.1 -0.626 41.1 155.8 -88.2 81.7 -14.6 23.3 135.3 77 80 A L - 0 0 58 -2,-1.6 116,-2.6 1,-0.3 -1,-0.2 0.167 63.7 -64.7 -94.4 18.2 -15.3 22.1 131.8 78 81 A G >> - 0 0 12 114,-0.2 4,-2.8 1,-0.1 3,-0.6 -0.191 54.3 -76.0 116.9 154.0 -15.8 25.6 130.3 79 82 A T H 3> S+ 0 0 47 1,-0.3 4,-2.2 2,-0.2 115,-0.2 0.811 129.3 55.5 -51.6 -31.6 -18.2 28.5 130.6 80 83 A G H 3> S+ 0 0 0 113,-2.9 4,-1.7 2,-0.2 -1,-0.3 0.909 108.2 45.8 -69.2 -42.2 -20.7 26.5 128.5 81 84 A H H <> S+ 0 0 23 112,-0.9 4,-1.5 -3,-0.6 -2,-0.2 0.890 110.8 55.0 -65.9 -40.8 -20.6 23.6 131.0 82 85 A A H >X S+ 0 0 3 -4,-2.8 4,-1.1 111,-0.3 3,-0.6 0.953 108.1 48.0 -59.7 -47.1 -20.9 26.1 133.9 83 86 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.855 105.4 60.0 -64.0 -32.2 -24.1 27.7 132.3 84 87 A Q H 3< S+ 0 0 53 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 99.4 57.0 -64.3 -32.4 -25.5 24.1 131.8 85 88 A Q H << S+ 0 0 66 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.855 115.5 35.9 -67.9 -31.8 -25.3 23.6 135.5 86 89 A A H >< S+ 0 0 0 -4,-1.1 3,-2.0 -3,-0.3 4,-0.2 0.761 95.6 86.8 -90.4 -26.1 -27.5 26.7 136.1 87 90 A A G >< S+ 0 0 9 -4,-2.5 3,-2.6 1,-0.3 -2,-0.1 0.806 76.5 65.0 -42.3 -48.8 -29.8 26.3 133.1 88 91 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.795 102.9 53.0 -50.4 -27.8 -32.4 24.0 134.8 89 92 A F G < S+ 0 0 108 -3,-2.0 2,-0.2 -4,-0.1 -2,-0.2 0.499 83.9 105.7 -86.6 -6.8 -33.2 27.0 137.1 90 93 A F S < S- 0 0 4 -3,-2.6 2,-0.4 -4,-0.2 6,-0.1 -0.525 71.8-125.5 -72.0 139.8 -33.8 29.5 134.3 91 94 A A > - 0 0 33 -2,-0.2 3,-1.7 1,-0.1 83,-0.4 -0.725 12.7-131.1 -85.6 136.3 -37.5 30.4 133.8 92 95 A D T 3 S+ 0 0 96 -2,-0.4 83,-0.9 1,-0.3 84,-0.2 0.758 106.2 46.9 -56.9 -24.9 -38.7 30.0 130.2 93 96 A D T 3 S+ 0 0 129 81,-0.1 -91,-0.3 80,-0.1 2,-0.3 0.180 98.4 81.3-108.4 20.1 -40.2 33.5 130.3 94 97 A E S < S- 0 0 10 -3,-1.7 80,-2.8 -93,-0.1 -91,-0.3 -0.866 77.8-111.3-121.5 157.7 -37.4 35.5 131.8 95 98 A D E -aD 3 173A 20 -93,-3.0 -91,-2.8 -2,-0.3 2,-0.5 -0.628 27.8-146.5 -81.7 148.2 -34.2 37.1 130.4 96 99 A I E -aD 4 172A 0 76,-3.0 76,-1.9 -2,-0.2 2,-0.5 -0.975 10.9-165.8-120.9 118.0 -31.0 35.5 131.6 97 100 A L E -aD 5 171A 0 -93,-2.4 -91,-3.1 -2,-0.5 2,-0.5 -0.888 8.8-150.4-106.1 128.5 -27.9 37.8 132.0 98 101 A M E +aD 6 170A 0 72,-2.8 72,-0.9 -2,-0.5 2,-0.3 -0.878 20.9 170.1-104.9 128.8 -24.6 36.2 132.3 99 102 A L E -a 7 0A 2 -93,-3.0 -91,-2.8 -2,-0.5 2,-0.4 -0.906 30.4-118.3-131.1 162.5 -21.8 37.9 134.3 100 103 A Y E > -a 8 0A 55 -2,-0.3 3,-1.0 -93,-0.2 -91,-0.2 -0.799 13.1-140.0-100.6 140.9 -18.4 36.9 135.6 101 104 A G T 3 S+ 0 0 0 -93,-2.6 -65,-0.2 -2,-0.4 -92,-0.1 0.651 101.1 52.1 -75.8 -11.3 -17.6 36.8 139.3 102 105 A D T 3 S+ 0 0 31 -94,-0.3 121,-2.2 1,-0.1 -1,-0.2 -0.084 86.8 83.6-113.6 31.6 -14.1 38.3 138.8 103 106 A V X + 0 0 7 -3,-1.0 3,-1.1 119,-0.2 -3,-0.2 -0.676 55.5 170.4-132.1 73.3 -15.1 41.4 136.7 104 107 A P T 3 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.630 60.7 59.4 -64.0 -21.7 -16.1 43.8 139.6 105 108 A L T 3 + 0 0 19 113,-0.4 115,-0.1 116,-0.4 114,-0.1 0.389 62.3 135.3 -97.3 6.3 -16.6 47.1 137.8 106 109 A I < - 0 0 11 -3,-1.1 2,-0.3 115,-0.1 114,-0.1 -0.264 52.2-133.5 -51.9 127.9 -19.3 46.3 135.4 107 110 A S > - 0 0 22 1,-0.1 4,-1.9 -68,-0.0 3,-0.2 -0.662 8.9-134.9 -92.7 144.1 -21.7 49.2 135.6 108 111 A V H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.851 105.5 61.1 -59.1 -34.2 -25.5 48.9 135.8 109 112 A E H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 106.7 44.4 -60.4 -45.0 -25.9 51.6 133.2 110 113 A T H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.898 112.9 51.2 -65.9 -41.3 -24.0 49.5 130.6 111 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.894 109.6 51.3 -63.7 -38.2 -26.0 46.4 131.6 112 115 A Q H X S+ 0 0 71 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 108.9 49.7 -65.8 -42.5 -29.2 48.3 131.2 113 116 A R H X S+ 0 0 81 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.902 110.9 51.6 -61.8 -38.0 -28.2 49.5 127.7 114 117 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.904 107.9 50.8 -64.2 -43.9 -27.4 45.8 126.9 115 118 A R H >< S+ 0 0 40 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.922 109.8 51.0 -58.6 -44.2 -30.8 44.7 128.1 116 119 A D H 3< S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 108.0 52.0 -65.2 -28.2 -32.4 47.3 125.9 117 120 A A H 3< S+ 0 0 27 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.691 80.8 110.6 -82.1 -17.5 -30.5 46.3 122.8 118 121 A K << - 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0 0 15 -3,-1.5 2,-0.3 -4,-0.3 9,-0.1 -0.385 37.2-178.2 -70.0 142.5 -41.5 58.1 284.9 636 188 B T - 0 0 77 9,-0.1 9,-0.5 7,-0.1 7,-0.1 -0.895 28.9-131.5-130.4 162.0 -41.9 61.9 285.0 637 189 B N + 0 0 56 -2,-0.3 2,-1.6 7,-0.1 5,-0.1 -0.068 58.0 130.8-109.6 38.2 -39.9 64.6 283.2 638 190 B N + 0 0 146 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.622 47.9 96.9 -91.5 79.4 -39.0 67.0 286.1 639 191 B N S > S- 0 0 36 -2,-1.6 3,-0.7 -35,-0.0 -2,-0.0 -0.850 92.5 -74.2-151.8-177.5 -35.4 67.3 285.3 640 192 B A T 3 S+ 0 0 65 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.679 128.2 37.2 -63.1 -18.9 -32.9 69.6 283.6 641 193 B Q T 3 S- 0 0 80 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.553 100.6-123.3-111.8 -7.0 -34.0 68.6 280.2 642 194 B G S < S+ 0 0 36 -3,-0.7 2,-0.2 1,-0.2 -5,-0.1 0.784 70.9 128.3 68.6 28.6 -37.7 68.2 280.6 643 195 B E - 0 0 68 -7,-0.1 2,-0.9 -112,-0.0 -1,-0.2 -0.694 69.8-109.6-117.2 164.7 -37.3 64.6 279.3 644 196 B Y - 0 0 66 -116,-2.6 -113,-2.4 -2,-0.2 -112,-1.0 -0.848 37.5-156.0 -95.2 104.0 -38.3 61.1 280.4 645 197 B Y > - 0 0 10 -2,-0.9 3,-1.7 -9,-0.5 4,-0.2 -0.721 16.5-156.6 -82.8 121.2 -35.0 59.5 281.4 646 198 B I G > S+ 0 0 0 -2,-0.5 3,-2.1 1,-0.3 4,-0.2 0.833 93.1 73.9 -62.9 -27.4 -35.0 55.6 281.2 647 199 B T G > S+ 0 0 4 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.629 76.5 75.4 -63.1 -13.8 -32.2 56.1 283.8 648 200 B D G <> S+ 0 0 51 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.688 76.8 77.6 -72.5 -14.1 -34.7 57.0 286.5 649 201 B I H <> S+ 0 0 0 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.770 83.2 64.3 -67.8 -22.8 -35.7 53.3 286.8 650 202 B I H <> S+ 0 0 0 -3,-0.9 4,-2.9 -4,-0.2 -1,-0.2 0.986 107.9 38.7 -62.4 -57.2 -32.6 52.5 288.8 651 203 B A H > S+ 0 0 38 -4,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.869 115.5 55.2 -62.3 -36.4 -33.7 54.8 291.7 652 204 B L H X S+ 0 0 38 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.934 110.8 43.9 -60.8 -44.8 -37.3 53.6 291.3 653 205 B A H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.6 0.927 112.1 52.9 -66.5 -43.3 -36.2 50.0 291.6 654 206 B Y H ><5S+ 0 0 74 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 0.935 105.0 56.5 -57.2 -43.3 -34.0 50.8 294.5 655 207 B Q H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 102.1 54.5 -57.6 -35.8 -37.0 52.5 296.1 656 208 B E T <<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.409 123.5-106.5 -78.4 2.8 -39.1 49.3 295.9 657 209 B G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 -4,-0.3 2,-0.2 0.704 74.7 142.7 79.2 17.5 -36.3 47.5 297.7 658 210 B R < - 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