==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-MAR-01 1I8T . COMPND 2 MOLECULE: UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.R.SANDERS,A.G.STAINES,S.A.MCMAHON,M.R.MCNEIL, . 734 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.5 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 . 4 0.5 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 . 2 0.3 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 . 68 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 2 0 1 7 2 1 1 2 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 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 0 PARALLEL BRIDGES PER LADDER . 2 2 4 6 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 2 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 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 1 A M 0 0 119 0, 0.0 223,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 110.9 15.9 -29.5 -20.1 2 2 A Y E -a 224 0A 51 221,-2.0 223,-1.8 1,-0.1 224,-0.2 -0.455 360.0-147.6 -81.3 150.7 13.5 -27.5 -17.9 3 3 A D E S+ 0 0 46 23,-1.8 223,-1.8 1,-0.3 2,-0.4 0.868 88.9 19.7 -79.2 -40.2 12.3 -28.7 -14.5 4 4 A Y E -ab 226 27A 9 22,-2.1 24,-2.4 221,-0.2 2,-0.5 -0.990 56.2-167.8-137.3 136.4 9.1 -26.8 -15.1 5 5 A I E -ab 227 28A 0 221,-1.8 223,-2.5 -2,-0.4 2,-0.6 -0.990 20.1-156.8-115.9 121.5 7.2 -25.3 -18.1 6 6 A I E -ab 228 29A 0 22,-3.6 24,-2.8 -2,-0.5 2,-0.7 -0.908 3.0-151.0-106.8 119.9 4.5 -23.1 -16.9 7 7 A V E +ab 229 30A 13 221,-2.9 223,-1.5 -2,-0.6 24,-0.2 -0.781 68.0 22.8 -91.4 109.7 1.6 -22.5 -19.3 8 8 A G - 0 0 10 22,-3.3 23,-0.2 -2,-0.7 22,-0.1 0.271 62.2-136.9 106.3 126.8 0.0 -19.1 -18.8 9 9 A S + 0 0 0 26,-0.2 28,-2.1 4,-0.1 -1,-0.1 -0.168 63.6 118.7-106.4 37.7 1.5 -16.0 -17.2 10 10 A G S > S- 0 0 14 27,-0.2 4,-3.1 26,-0.1 5,-0.3 -0.160 89.1 -74.6 -83.6-169.8 -1.6 -15.0 -15.1 11 11 A L H > S+ 0 0 18 26,-0.4 4,-2.4 1,-0.2 5,-0.2 0.884 131.7 52.4 -55.7 -42.1 -1.4 -14.8 -11.3 12 12 A F H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 117.3 36.5 -60.9 -50.5 -1.4 -18.6 -10.9 13 13 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.883 115.9 53.3 -70.5 -38.5 1.5 -19.2 -13.2 14 14 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.879 110.6 47.9 -65.6 -37.7 3.4 -16.0 -12.3 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 5,-0.3 0.918 109.9 50.8 -70.6 -44.2 3.2 -17.0 -8.6 16 16 A C H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.925 113.3 47.7 -58.2 -39.8 4.4 -20.6 -9.2 17 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 108.6 53.8 -66.4 -41.1 7.3 -19.1 -11.2 18 18 A N H < S+ 0 0 9 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.844 116.4 38.0 -63.0 -36.2 8.2 -16.6 -8.5 19 19 A E H >X S+ 0 0 35 -4,-2.0 3,-1.0 2,-0.2 4,-0.8 0.885 115.7 50.7 -82.3 -46.1 8.4 -19.3 -5.9 20 20 A L H ><>S+ 0 0 0 -4,-3.0 5,-1.8 -5,-0.3 3,-0.8 0.872 103.7 59.6 -62.1 -35.3 10.1 -22.0 -8.1 21 21 A K G ><5S+ 0 0 58 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.747 104.3 51.5 -66.6 -19.6 12.8 -19.6 -9.2 22 22 A K G <45S+ 0 0 126 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.679 102.0 59.3 -89.8 -15.8 13.8 -19.1 -5.6 23 23 A L G <<5S- 0 0 77 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.175 119.2-109.7 -93.3 17.1 14.1 -22.9 -5.1 24 24 A N T < 5 + 0 0 149 -3,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.789 67.8 149.3 60.9 30.6 16.7 -23.0 -7.9 25 25 A K < - 0 0 55 -5,-1.8 2,-0.5 -22,-0.0 -1,-0.2 -0.782 52.3-118.2 -93.8 136.7 14.4 -24.9 -10.3 26 26 A K - 0 0 94 -2,-0.4 -22,-2.1 -25,-0.1 -23,-1.8 -0.649 43.3-171.1 -77.8 122.4 14.9 -24.2 -14.0 27 27 A V E -b 4 0A 10 -2,-0.5 179,-0.9 -24,-0.2 2,-0.4 -0.917 23.5-171.7-125.9 142.4 11.7 -22.6 -15.3 28 28 A L E -bc 5 206A 16 -24,-2.4 -22,-3.6 -2,-0.4 2,-0.5 -0.994 11.0-157.1-129.1 129.3 10.1 -21.6 -18.6 29 29 A V E -bc 6 207A 0 177,-2.9 179,-3.2 -2,-0.4 2,-0.5 -0.910 6.6-166.4-108.1 128.7 6.8 -19.6 -18.9 30 30 A I E +bc 7 208A 2 -24,-2.8 -22,-3.3 -2,-0.5 2,-0.4 -0.970 7.9 179.1-117.0 123.7 4.8 -19.9 -22.1 31 31 A E - 0 0 15 177,-2.5 180,-2.8 -2,-0.5 181,-0.1 -0.989 22.8-154.9-126.6 130.9 2.0 -17.4 -22.8 32 32 A K S S+ 0 0 87 -2,-0.4 180,-0.2 178,-0.3 -1,-0.1 0.781 75.7 76.6 -77.2 -25.2 -0.1 -17.4 -25.9 33 33 A R S S- 0 0 114 2,-0.2 177,-2.4 178,-0.2 178,-0.3 -0.294 89.5-116.4 -79.7 170.6 -0.9 -13.6 -25.6 34 34 A N S S+ 0 0 114 175,-0.2 2,-0.3 176,-0.1 175,-0.1 0.170 97.7 43.4 -90.8 11.8 1.5 -10.8 -26.5 35 35 A H S S- 0 0 16 6,-0.0 3,-0.3 0, 0.0 -2,-0.2 -0.970 79.3-122.0-150.6 161.4 1.5 -9.6 -22.9 36 36 A I S S+ 0 0 23 -2,-0.3 -26,-0.1 1,-0.1 163,-0.1 -0.319 75.3 66.0 -95.0-179.8 1.8 -11.2 -19.4 37 37 A G S > S- 0 0 1 -28,-2.1 3,-1.4 -27,-0.1 -26,-0.4 0.184 74.9-140.4 95.7 -15.7 -0.6 -10.9 -16.5 38 38 A G G > S- 0 0 22 -3,-0.3 3,-2.1 1,-0.2 15,-0.1 -0.214 73.7 -10.4 59.1-147.0 -3.6 -12.8 -17.8 39 39 A N G 3 S+ 0 0 43 1,-0.3 14,-0.4 13,-0.1 -1,-0.2 0.656 135.8 59.8 -59.0 -17.7 -7.0 -11.3 -16.9 40 40 A A G < S+ 0 0 9 -3,-1.4 154,-0.3 12,-0.1 -1,-0.3 0.511 76.0 135.5 -90.5 -5.6 -5.4 -8.9 -14.4 41 41 A Y < - 0 0 31 -3,-2.1 11,-0.9 153,-0.1 12,-0.5 -0.092 35.9-164.4 -46.8 131.5 -3.3 -7.2 -17.1 42 42 A T E -E 51 0B 2 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.902 3.9-158.6-122.3 153.4 -3.2 -3.4 -17.0 43 43 A E E -E 50 0B 81 7,-1.6 7,-2.9 -2,-0.3 2,-0.3 -0.997 17.4-124.5-137.2 131.0 -2.0 -1.0 -19.7 44 44 A D E -E 49 0B 94 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.577 20.0-174.4 -80.4 131.7 -0.8 2.6 -19.3 45 45 A C E > S-E 48 0B 33 3,-2.6 3,-1.9 -2,-0.3 249,-0.1 -0.875 75.5 -44.9-126.1 94.8 -2.5 5.4 -21.3 46 46 A E T 3 S- 0 0 141 -2,-0.5 246,-0.1 1,-0.3 3,-0.1 0.869 127.0 -32.3 47.9 46.5 -0.6 8.7 -20.7 47 47 A G T 3 S+ 0 0 41 1,-0.2 2,-0.7 243,-0.1 -1,-0.3 0.193 116.3 108.8 101.4 -17.2 -0.4 8.1 -17.0 48 48 A I E < -E 45 0B 2 -3,-1.9 -3,-2.6 240,-0.0 2,-0.6 -0.860 61.4-143.3-101.2 120.9 -3.7 6.2 -16.5 49 49 A Q E -E 44 0B 48 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.2 -0.690 22.2-149.4 -80.4 119.9 -3.3 2.5 -15.8 50 50 A I E -E 43 0B 11 -7,-2.9 2,-1.7 -2,-0.6 -7,-1.6 -0.827 13.3-137.2-101.5 127.3 -6.2 0.7 -17.6 51 51 A H E > -E 42 0B 6 -2,-0.5 3,-1.3 -9,-0.2 -9,-0.2 -0.612 25.3-169.7 -81.7 89.0 -7.8 -2.4 -16.3 52 52 A K T 3 S+ 0 0 67 -2,-1.7 -1,-0.2 -11,-0.9 -10,-0.1 0.671 75.8 33.4 -51.6 -33.6 -8.1 -4.2 -19.7 53 53 A Y T 3 S- 0 0 43 1,-0.5 -1,-0.3 -12,-0.5 2,-0.1 -0.183 129.3 -50.4-123.4 45.0 -10.3 -7.1 -18.8 54 54 A G S < S- 0 0 6 -3,-1.3 -1,-0.5 2,-0.1 2,-0.1 -0.078 79.2 -55.1 106.0 152.3 -12.6 -5.7 -16.2 55 55 A A - 0 0 17 -3,-0.1 2,-0.5 -2,-0.1 -5,-0.0 -0.361 52.5-163.0 -61.8 135.5 -12.1 -3.8 -13.0 56 56 A H + 0 0 27 -16,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.929 10.9 177.9-127.9 109.1 -9.7 -5.6 -10.6 57 57 A I - 0 0 17 -2,-0.5 2,-0.3 132,-0.1 292,-0.2 -0.950 23.7-134.5-112.9 126.9 -9.7 -4.7 -6.9 58 58 A F E +F 188 0C 2 130,-1.4 130,-1.7 -2,-0.5 2,-0.3 -0.570 33.4 161.8 -79.8 135.0 -7.4 -6.6 -4.6 59 59 A H E +F 187 0C 10 -2,-0.3 291,-0.4 128,-0.2 2,-0.3 -0.969 1.3 148.5-155.3 139.3 -8.8 -7.8 -1.2 60 60 A T E -F 186 0C 1 126,-2.1 126,-2.1 -2,-0.3 125,-0.3 -0.989 40.7-147.2-161.8 163.9 -7.9 -10.3 1.5 61 61 A N S S+ 0 0 107 -2,-0.3 2,-0.9 123,-0.2 -1,-0.1 0.378 78.0 99.1-112.1 -4.9 -8.0 -11.1 5.2 62 62 A D > - 0 0 78 1,-0.2 4,-2.3 124,-0.1 3,-0.2 -0.763 56.1-166.6 -91.0 105.2 -4.7 -13.0 4.9 63 63 A K H > S+ 0 0 118 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.838 87.5 57.1 -59.2 -35.6 -1.9 -10.7 6.1 64 64 A Y H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 110.6 44.4 -62.7 -41.9 0.8 -13.1 4.6 65 65 A I H > S+ 0 0 4 -3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.889 112.4 50.9 -70.9 -37.1 -0.8 -12.7 1.2 66 66 A W H X S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 114.0 44.9 -65.3 -41.4 -1.3 -9.0 1.5 67 67 A D H X S+ 0 0 49 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.885 106.1 62.6 -68.8 -35.0 2.4 -8.6 2.5 68 68 A Y H < S+ 0 0 19 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.940 113.2 33.1 -56.7 -50.0 3.4 -11.0 -0.3 69 69 A V H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-1.6 0.922 117.3 54.2 -76.5 -39.2 2.1 -8.7 -3.0 70 70 A N H 3< S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.779 99.3 63.2 -62.9 -27.4 2.9 -5.4 -1.2 71 71 A D T 3< S+ 0 0 133 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.711 111.0 39.6 -69.4 -16.5 6.5 -6.6 -0.8 72 72 A L T <4 S+ 0 0 48 -3,-1.6 2,-0.3 1,-0.4 -2,-0.2 0.836 134.1 3.2 -96.6 -44.7 6.7 -6.4 -4.6 73 73 A V S < S- 0 0 8 -4,-2.1 -1,-0.4 127,-0.0 2,-0.2 -0.996 80.1-111.0-143.9 139.0 4.7 -3.3 -5.4 74 74 A E - 0 0 108 -2,-0.3 117,-3.1 117,-0.2 2,-0.3 -0.500 30.7-146.7 -74.3 140.7 3.1 -0.8 -3.0 75 75 A F B -G 190 0D 8 115,-0.3 2,-0.1 -2,-0.2 112,-0.0 -0.782 6.3-137.1-104.6 150.8 -0.8 -0.8 -2.9 76 76 A N - 0 0 16 113,-2.5 111,-0.1 -2,-0.3 -1,-0.1 -0.250 29.2-102.4 -91.4-171.8 -2.9 2.3 -2.3 77 77 A R + 0 0 33 111,-0.2 2,-0.2 -2,-0.1 111,-0.2 -0.220 56.8 159.4-108.3 41.6 -6.0 2.4 -0.0 78 78 A F - 0 0 32 111,-0.1 2,-0.5 207,-0.1 207,-0.1 -0.453 25.2-157.2 -66.1 135.0 -8.6 2.3 -2.7 79 79 A T - 0 0 34 -2,-0.2 2,-0.6 2,-0.0 -2,-0.1 -0.964 16.7-127.6-115.8 123.3 -12.0 1.1 -1.4 80 80 A N + 0 0 10 -2,-0.5 101,-2.6 1,-0.1 102,-0.2 -0.591 36.9 163.5 -73.6 112.9 -14.5 -0.4 -4.0 81 81 A S - 0 0 26 -2,-0.6 99,-0.1 99,-0.2 185,-0.1 -0.602 19.3-166.1-130.8 74.8 -17.8 1.4 -3.8 82 82 A P - 0 0 2 0, 0.0 11,-2.3 0, 0.0 2,-0.3 -0.156 9.5-138.6 -57.7 152.0 -19.7 0.6 -7.0 83 83 A L E -Hi 92 267E 0 183,-1.7 185,-3.4 9,-0.2 2,-0.5 -0.765 6.1-143.7-109.6 157.9 -22.8 2.6 -8.0 84 84 A A E -Hi 91 268E 0 7,-2.9 7,-2.5 -2,-0.3 2,-0.6 -0.984 9.1-164.0-126.6 122.9 -26.0 1.1 -9.4 85 85 A I E +Hi 90 269E 30 183,-3.0 185,-1.7 -2,-0.5 186,-0.5 -0.925 11.3 174.0-109.0 120.0 -28.0 3.0 -12.1 86 86 A Y E > -H 89 0E 61 3,-2.4 3,-1.9 -2,-0.6 2,-0.4 -0.899 63.0 -56.2-128.6 102.0 -31.6 1.9 -12.6 87 87 A K T 3 S- 0 0 105 -2,-0.5 184,-0.1 1,-0.3 183,-0.0 -0.531 123.0 -16.9 67.2-119.2 -33.6 4.0 -15.0 88 88 A D T 3 S+ 0 0 117 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.220 119.8 95.5-102.7 14.7 -33.5 7.5 -13.5 89 89 A K E < -H 86 0E 112 -3,-1.9 -3,-2.4 2,-0.0 2,-0.4 -0.863 54.9-157.7-110.8 141.7 -32.3 6.4 -10.0 90 90 A L E +H 85 0E 7 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.945 17.3 179.5-114.9 134.0 -28.7 6.2 -8.6 91 91 A F E -H 84 0E 9 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.4 -0.951 26.3-119.7-132.9 156.1 -28.0 3.9 -5.7 92 92 A N E -H 83 0E 2 -2,-0.3 4,-0.4 -9,-0.2 -9,-0.2 -0.734 40.2-116.4 -94.2 140.0 -24.9 3.0 -3.7 93 93 A L S S+ 0 0 11 -11,-2.3 2,-0.2 -2,-0.4 88,-0.1 -0.763 77.0 48.2-110.1 159.7 -23.7 -0.6 -3.6 94 94 A P S S- 0 0 0 0, 0.0 2,-1.0 0, 0.0 5,-0.3 0.676 101.4 -85.4 -79.5-164.9 -23.3 -3.0 -1.8 95 95 A F B S+n 173 0F 13 77,-1.5 79,-2.8 -2,-0.2 2,-0.2 -0.507 77.6 130.2 -75.4 103.3 -26.6 -3.3 0.2 96 96 A N S >> S- 0 0 0 -2,-1.0 4,-2.1 -4,-0.4 3,-0.7 -0.788 74.0 -74.6-141.2-179.2 -26.2 -1.0 3.1 97 97 A M H 3> S+ 0 0 0 79,-2.1 4,-2.6 1,-0.3 5,-0.2 0.810 126.6 57.6 -52.3 -33.6 -28.1 1.8 4.9 98 98 A N H 3> S+ 0 0 2 78,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.920 108.9 46.8 -62.7 -42.6 -27.2 4.3 2.2 99 99 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.936 114.4 45.5 -62.6 -48.5 -29.0 2.0 -0.3 100 100 A F H X>S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 6,-0.8 0.875 111.9 52.4 -65.0 -38.1 -32.0 1.5 2.0 101 101 A H H X5S+ 0 0 32 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.885 111.7 46.7 -64.7 -39.8 -32.2 5.3 2.7 102 102 A Q H <5S+ 0 0 48 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.894 117.1 43.8 -69.7 -37.3 -32.1 5.9 -1.1 103 103 A M H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.904 137.2 4.7 -75.6 -41.6 -34.8 3.3 -1.7 104 104 A W H <5S- 0 0 64 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.460 91.7-114.0-125.1 -6.4 -37.3 4.0 1.1 105 105 A G << + 0 0 40 -4,-1.4 -4,-0.2 -5,-0.6 -3,-0.1 0.517 64.3 150.5 81.5 4.3 -36.0 7.1 2.9 106 106 A V + 0 0 3 -6,-0.8 -1,-0.3 1,-0.1 -2,-0.1 -0.406 24.3 173.4 -73.0 144.4 -35.4 5.1 6.0 107 107 A K + 0 0 73 -2,-0.1 -1,-0.1 -3,-0.1 -6,-0.1 0.570 54.9 88.0-120.9 -23.2 -32.6 6.2 8.4 108 108 A D > - 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0 0 40 -3,-2.4 -1,-0.4 1,-0.2 -2,-0.1 -0.119 63.6 -31.6 59.6-157.2 -19.8 38.3 -6.8 493 125 B D T 3 S+ 0 0 140 -3,-0.1 -1,-0.2 -4,-0.1 -3,-0.0 0.419 90.3 146.0 -76.5 1.8 -16.1 38.7 -6.0 494 126 B K < - 0 0 99 -3,-1.2 -3,-0.1 1,-0.1 3,-0.0 -0.077 56.8-114.1 -42.8 131.1 -16.9 40.7 -2.9 495 127 B V - 0 0 110 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.597 39.7-101.2 -72.8 128.2 -14.4 39.9 -0.1 496 128 B P - 0 0 30 0, 0.0 37,-0.2 0, 0.0 -1,-0.1 -0.269 33.1-171.6 -53.7 119.1 -16.1 38.1 2.8 497 129 B E S S+ 0 0 148 -2,-0.1 36,-0.3 35,-0.1 2,-0.2 0.777 70.4 10.7 -83.5 -25.6 -16.9 40.5 5.7 498 130 B N S > S- 0 0 27 34,-0.2 4,-2.2 35,-0.1 3,-0.2 -0.821 88.9 -86.3-142.3 179.5 -18.0 37.7 8.0 499 131 B L H > S+ 0 0 2 32,-2.4 4,-2.5 29,-1.0 30,-0.2 0.799 120.6 55.5 -62.4 -32.8 -18.1 33.9 8.5 500 132 B E H > S+ 0 0 32 28,-0.7 4,-2.2 31,-0.2 -1,-0.2 0.896 110.9 43.8 -69.0 -39.6 -21.3 33.5 6.6 501 133 B E H > S+ 0 0 39 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.871 112.0 55.1 -71.6 -36.7 -20.0 35.2 3.5 502 134 B Q H X S+ 0 0 37 -4,-2.2 4,-0.8 2,-0.2 3,-0.2 0.981 111.6 42.6 -58.7 -58.2 -16.7 33.3 3.8 503 135 B A H >X>S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-1.1 0.894 111.9 53.9 -57.2 -44.2 -18.5 29.9 3.8 504 136 B I H 3X5S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.881 106.9 52.3 -60.5 -38.5 -20.9 30.9 1.0 505 137 B S H 3<5S+ 0 0 40 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.647 111.2 48.9 -72.6 -14.1 -18.0 31.8 -1.2 506 138 B L H <<5S- 0 0 47 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.851 137.3 -4.5 -91.8 -38.4 -16.4 28.4 -0.5 507 139 B V H <5S- 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -3,-0.2 0.468 99.0-108.4-136.7 -2.8 -19.4 26.2 -1.2 508 140 B G X< - 0 0 0 -4,-2.1 4,-1.4 -5,-0.5 -1,-0.2 -0.146 39.8 -74.3 94.5 169.6 -22.5 28.2 -2.0 509 141 B E H > S+ 0 0 52 -22,-0.3 4,-3.4 2,-0.2 5,-0.4 0.873 119.7 58.5 -77.0 -38.1 -25.6 28.8 0.1 510 142 B D H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.976 114.7 37.4 -56.4 -53.8 -27.4 25.5 -0.3 511 143 B L H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 5,-0.5 0.887 120.2 49.4 -64.4 -36.8 -24.6 23.5 1.2 512 144 B Y H X>S+ 0 0 2 -4,-1.4 5,-2.9 3,-0.2 4,-1.8 0.938 112.2 46.0 -66.9 -48.7 -23.8 26.2 3.7 513 145 B Q H <>S+ 0 0 56 -4,-3.4 5,-0.5 3,-0.2 -2,-0.2 0.917 122.7 35.3 -61.2 -46.3 -27.3 26.7 4.9 514 146 B A H <5S+ 0 0 7 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.890 133.4 19.0 -79.3 -38.0 -28.0 23.0 5.3 515 147 B L H <5S+ 0 0 9 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.571 127.9 27.4-115.5 -8.6 -24.6 21.7 6.5 516 148 B I T X5S+ 0 0 15 -4,-1.8 4,-3.1 -5,-0.5 5,-0.3 0.784 102.0 63.5-118.1 -52.6 -22.4 24.4 7.9 517 149 B K H > S+ 0 0 36 119,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.960 113.0 42.9 -64.9 -53.1 -23.3 23.5 13.1 520 152 B T H X S+ 0 0 6 -4,-3.1 4,-1.4 1,-0.2 5,-0.2 0.875 112.5 54.4 -62.0 -39.3 -20.7 26.2 13.2 521 153 B E H X>S+ 0 0 9 -4,-2.9 4,-2.0 -5,-0.3 5,-1.6 0.867 108.8 48.0 -67.4 -33.8 -23.0 28.5 15.1 522 154 B K H <5S+ 0 0 15 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.920 110.2 50.7 -72.5 -40.3 -23.6 26.0 17.8 523 155 B Q H <5S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.759 120.4 35.3 -71.4 -18.0 -19.9 25.2 18.3 524 156 B W H <5S- 0 0 67 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.690 114.4 -97.0-107.2 -26.1 -18.9 28.9 18.6 525 157 B G T <5S- 0 0 47 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.646 76.6 -36.8 119.5 10.9 -21.7 30.7 20.4 526 158 B R S S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 -29,-1.0 0.869 102.9 55.1 -65.6 -39.6 -22.2 33.3 11.5 529 161 B K T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -30,-0.2 -2,-0.1 0.736 107.8 52.2 -68.7 -17.4 -22.7 36.9 10.3 530 162 B E T 3 S+ 0 0 154 -3,-0.3 -1,-0.3 -32,-0.1 -2,-0.2 0.302 99.1 85.6 -99.1 8.1 -21.3 37.9 13.7 531 163 B L S < S- 0 0 25 -3,-1.7 -32,-2.4 -5,-0.0 -31,-0.2 -0.821 85.5 -97.8-113.9 153.4 -18.2 35.7 13.4 532 164 B P > - 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