==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-08 3CQH . COMPND 2 MOLECULE: L-RIBULOSE-5-PHOSPHATE 3-EPIMERASE ULAE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SHI,A.MATTE,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURA . 509 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 2 0.4 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 . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 1 3 2 0 0 3 1 0 0 2 0 0 0 2 1 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 10 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 . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 5 A Q 0 0 129 0, 0.0 258,-0.0 0, 0.0 401,-0.0 0.000 360.0 360.0 360.0 -90.9 44.2 33.5 28.5 2 6 A I - 0 0 40 257,-0.2 2,-0.3 256,-0.1 222,-0.1 -0.879 360.0-149.8-115.9 98.9 45.2 30.0 27.9 3 7 A P - 0 0 8 0, 0.0 223,-2.2 0, 0.0 2,-0.5 -0.531 14.9-163.9 -63.0 127.3 42.9 28.4 30.5 4 8 A L E +a 226 0A 9 -2,-0.3 26,-2.3 221,-0.2 27,-0.9 -0.973 9.6 179.6-124.7 128.6 44.6 25.3 31.9 5 9 A G E -ab 227 31A 0 221,-2.8 223,-2.5 -2,-0.5 2,-0.4 -0.728 19.1-138.2-124.2 167.8 42.9 22.5 33.8 6 10 A I E -ab 228 32A 0 25,-1.7 27,-1.5 -2,-0.2 223,-0.2 -0.988 27.6-112.6-128.7 138.4 43.7 19.2 35.4 7 11 A Y E > - b 0 33A 5 221,-2.1 3,-2.3 -2,-0.4 4,-0.4 -0.452 23.9-124.1 -68.4 137.1 41.6 16.0 35.3 8 12 A E G > S+ 0 0 1 25,-2.7 3,-2.1 1,-0.3 -1,-0.1 0.898 109.9 61.1 -43.8 -47.9 40.1 15.0 38.7 9 13 A K G 3 S+ 0 0 20 1,-0.3 224,-2.1 24,-0.2 225,-0.3 0.397 91.6 66.0 -70.0 1.9 41.8 11.6 38.4 10 14 A A G < S+ 0 0 0 -3,-2.3 -1,-0.3 222,-0.2 232,-0.2 0.615 97.9 65.4 -90.0 -18.0 45.3 13.1 38.4 11 15 A L S < S- 0 0 1 -3,-2.1 222,-0.1 -4,-0.4 9,-0.1 -0.589 107.8 -67.5-102.9 161.3 44.8 14.3 42.0 12 16 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 221,-0.1 -0.217 62.4-111.7 -50.4 134.5 44.4 12.2 45.2 13 17 A A + 0 0 62 220,-0.4 2,-0.2 -4,-0.1 3,-0.1 -0.159 66.0 73.0 -72.2 163.5 41.1 10.2 45.1 14 18 A G S S- 0 0 21 1,-0.1 6,-0.0 3,-0.0 0, 0.0 -0.674 86.1 -75.9 125.5-178.4 38.0 10.8 47.4 15 19 A E S S+ 0 0 72 -2,-0.2 2,-2.1 1,-0.1 3,-0.2 0.175 81.8 120.1-104.6 16.5 35.2 13.2 48.0 16 20 A a > + 0 0 80 1,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.521 33.3 165.5 -80.8 72.6 37.3 15.9 49.6 17 21 A W H > + 0 0 13 -2,-2.1 4,-2.4 1,-0.2 5,-0.2 0.818 67.3 55.2 -65.1 -35.9 36.4 18.5 47.0 18 22 A L H > S+ 0 0 89 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 111.4 45.9 -62.0 -42.0 37.7 21.6 48.9 19 23 A E H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 112.1 51.3 -66.9 -43.2 41.1 19.9 49.2 20 24 A R H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 113.6 44.3 -58.8 -46.1 41.1 18.9 45.6 21 25 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.897 112.5 51.3 -69.6 -40.0 40.3 22.4 44.4 22 26 A Q H X S+ 0 0 91 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.901 110.4 50.0 -63.7 -38.4 42.8 24.0 46.8 23 27 A L H X S+ 0 0 48 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 108.3 52.1 -64.7 -44.1 45.5 21.7 45.5 24 28 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 -2,-0.2 0.895 109.5 50.8 -56.8 -42.7 44.7 22.5 41.8 25 29 A K H ><5S+ 0 0 98 -4,-2.1 3,-1.9 3,-0.2 -1,-0.2 0.940 108.4 50.4 -59.3 -49.0 45.0 26.2 42.7 26 30 A T H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.891 109.4 53.0 -58.3 -37.3 48.4 25.7 44.4 27 31 A L T 3<5S- 0 0 18 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.460 122.6-109.4 -77.9 -1.7 49.5 23.8 41.2 28 32 A G T < 5 + 0 0 44 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.618 66.5 148.3 85.0 13.9 48.4 26.8 39.1 29 33 A F < - 0 0 7 -5,-2.9 -1,-0.3 -6,-0.2 -24,-0.2 -0.667 40.8-155.3 -83.8 138.2 45.3 25.3 37.5 30 34 A D S S+ 0 0 65 -26,-2.3 36,-1.8 -2,-0.3 2,-0.3 0.698 75.6 2.0 -78.2 -24.0 42.4 27.5 36.6 31 35 A F E -bc 5 66A 9 -27,-0.9 -25,-1.7 34,-0.2 2,-0.4 -0.970 57.4-133.2-158.0 169.6 40.0 24.5 36.7 32 36 A V E -b 6 0A 0 34,-2.4 2,-0.6 -2,-0.3 37,-0.5 -0.984 19.0-139.7-129.1 136.7 39.3 20.8 37.4 33 37 A E E -bc 7 69A 0 -27,-1.5 -25,-2.7 -2,-0.4 -24,-0.2 -0.909 23.4-135.7 -95.3 122.3 37.4 18.5 35.2 34 38 A X E - c 0 70A 0 35,-2.0 37,-3.1 -2,-0.6 2,-0.5 -0.493 8.4-139.1 -74.0 143.9 35.2 16.1 37.2 35 39 A S E - c 0 71A 0 35,-0.2 2,-0.5 -2,-0.2 37,-0.2 -0.923 17.5-178.2 -98.2 127.9 34.9 12.4 36.3 36 40 A V E + c 0 72A 0 35,-2.4 37,-2.2 -2,-0.5 38,-1.5 -0.874 35.1 154.7-115.9 96.1 31.5 10.7 36.5 37 41 A D - 0 0 4 -2,-0.5 37,-0.2 36,-0.2 35,-0.0 -0.036 59.1 -66.9-105.5-157.2 32.6 7.1 35.5 38 42 A E S S+ 0 0 56 35,-0.1 2,-0.1 4,-0.1 36,-0.0 0.581 96.9 101.5 -69.7 -16.1 31.7 3.5 35.9 39 43 A T S > S- 0 0 50 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.384 74.0-131.3 -78.3 152.9 32.3 3.5 39.7 40 44 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.868 105.6 55.2 -70.6 -37.6 29.6 3.8 42.4 41 45 A E H 4 S+ 0 0 77 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.920 118.0 34.9 -60.0 -43.2 31.3 6.6 44.3 42 46 A R H >4 S+ 0 0 10 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.901 118.1 50.4 -80.8 -41.1 31.5 8.8 41.2 43 47 A L H >< S+ 0 0 21 -4,-2.7 3,-1.4 1,-0.2 4,-0.2 0.840 102.4 63.5 -64.0 -32.5 28.2 7.6 39.7 44 48 A S G >< S+ 0 0 51 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.676 82.4 77.8 -67.7 -14.7 26.5 8.3 43.0 45 49 A R G X S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.3 -1,-0.3 0.877 85.2 64.0 -58.1 -33.5 27.4 12.0 42.6 46 50 A L G < S+ 0 0 5 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.677 104.4 45.9 -63.8 -16.1 24.4 12.0 40.2 47 51 A D G < S+ 0 0 106 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.243 84.7 138.1-106.1 8.6 22.3 11.2 43.3 48 52 A W < - 0 0 26 -3,-1.9 -3,-0.1 -4,-0.2 2,-0.0 -0.186 56.6-112.0 -52.0 145.5 23.9 13.8 45.6 49 53 A S > - 0 0 49 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.286 28.0-106.1 -69.8 163.0 21.5 15.8 47.8 50 54 A R H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 124.1 56.9 -57.1 -42.0 20.9 19.5 47.1 51 55 A E H > S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 107.1 46.2 -49.9 -52.5 23.0 20.1 50.2 52 56 A Q H > S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.787 111.8 51.1 -66.0 -32.0 26.0 18.1 48.7 53 57 A R H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.902 111.0 48.8 -69.4 -44.3 25.7 19.9 45.4 54 58 A L H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.824 104.7 58.4 -65.2 -35.8 25.7 23.3 47.1 55 59 A A H X S+ 0 0 57 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.863 107.6 48.1 -64.6 -35.6 28.7 22.4 49.2 56 60 A L H X S+ 0 0 5 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.916 110.1 50.7 -69.3 -45.5 30.7 21.8 46.0 57 61 A V H X S+ 0 0 6 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.922 108.0 53.4 -55.3 -47.2 29.5 25.1 44.5 58 62 A N H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.923 110.9 46.9 -52.9 -48.7 30.6 27.0 47.7 59 63 A A H X S+ 0 0 11 -4,-1.6 4,-2.4 2,-0.2 6,-0.4 0.875 113.8 47.7 -61.2 -43.0 34.1 25.4 47.4 60 64 A I H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 5,-0.5 0.963 116.2 42.6 -60.3 -54.0 34.3 26.3 43.7 61 65 A V H < S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 117.7 46.6 -67.7 -35.3 33.2 29.9 44.1 62 66 A E H < S+ 0 0 84 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.924 118.5 39.7 -73.8 -44.1 35.3 30.4 47.3 63 67 A T H < S- 0 0 10 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.794 98.0-134.7 -72.4 -27.6 38.5 28.9 45.8 64 68 A G < + 0 0 43 -4,-2.3 2,-0.7 1,-0.3 -3,-0.2 0.512 65.1 129.4 76.8 5.6 38.0 30.5 42.4 65 69 A V - 0 0 3 -5,-0.5 -1,-0.3 -6,-0.4 -34,-0.2 -0.849 51.4-143.8 -95.0 115.9 38.9 27.1 40.9 66 70 A R E -c 31 0A 36 -36,-1.8 -34,-2.4 -2,-0.7 3,-0.1 -0.232 19.9-155.6 -80.6 155.5 36.1 26.2 38.3 67 71 A V E + 0 0 6 -36,-0.2 -34,-0.1 38,-0.2 41,-0.1 -0.697 33.5 156.4-118.1 76.4 34.6 22.8 37.5 68 72 A P E + 0 0 10 0, 0.0 41,-2.3 0, 0.0 40,-1.1 0.594 56.5 38.2 -82.4 -6.5 33.5 23.8 34.0 69 73 A S E -cd 33 109A 0 -37,-0.5 -35,-2.0 39,-0.2 2,-0.4 -0.980 56.9-154.9-146.0 156.0 33.4 20.2 32.6 70 74 A X E -cd 34 110A 0 39,-2.0 41,-3.3 -2,-0.3 2,-1.1 -1.000 14.9-145.2-130.5 125.2 32.5 16.6 33.4 71 75 A C E -cd 35 111A 4 -37,-3.1 -35,-2.4 -2,-0.4 2,-0.9 -0.839 24.0-164.8 -84.8 96.8 34.0 13.6 31.6 72 76 A L E +cd 36 112A 0 39,-2.4 41,-1.0 -2,-1.1 -35,-0.2 -0.799 30.0 148.9 -90.4 105.4 30.9 11.4 31.7 73 77 A S > + 0 0 3 -37,-2.2 3,-2.4 -2,-0.9 -36,-0.2 0.387 36.1 108.8-117.4 3.9 32.0 7.9 30.9 74 78 A A G >> + 0 0 0 -38,-1.5 3,-1.5 1,-0.3 4,-1.1 0.686 64.7 76.2 -50.9 -23.7 29.4 6.0 33.0 75 79 A H G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.564 70.6 83.1 -72.3 -7.5 27.8 4.9 29.7 76 80 A R G <4 S+ 0 0 152 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.789 106.5 29.7 -57.3 -28.9 30.6 2.3 29.3 77 81 A R T <4 S+ 0 0 116 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.656 129.5 39.6-104.3 -27.3 28.4 0.1 31.6 78 82 A F S < S- 0 0 20 -4,-1.1 -1,-0.2 12,-0.1 -2,-0.1 -0.613 86.2-165.8-119.6 70.6 25.0 1.5 30.6 79 83 A P > - 0 0 28 0, 0.0 3,-1.5 0, 0.0 12,-0.2 -0.317 21.7-139.4 -69.1 137.7 25.4 1.9 26.8 80 84 A L T 3 S+ 0 0 2 1,-0.3 53,-0.2 11,-0.1 52,-0.1 0.720 102.8 52.1 -63.5 -24.9 22.8 4.0 25.0 81 85 A G T 3 S+ 0 0 0 49,-0.1 -1,-0.3 51,-0.1 48,-0.2 0.233 80.0 139.8 -97.5 13.9 22.7 1.5 22.0 82 86 A S < - 0 0 24 -3,-1.5 6,-0.2 1,-0.1 9,-0.0 -0.306 55.1-140.6 -61.2 136.0 22.1 -1.5 24.2 83 87 A E S S+ 0 0 140 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.802 84.5 92.3 -62.5 -29.8 19.7 -4.1 22.9 84 88 A D > - 0 0 81 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.569 69.1-154.7 -69.5 116.9 18.5 -4.4 26.5 85 89 A D H > S+ 0 0 110 -2,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.809 93.6 50.9 -62.8 -34.3 15.5 -2.0 27.0 86 90 A A H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 110.5 47.6 -72.7 -40.1 16.2 -1.7 30.7 87 91 A V H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 110.5 52.7 -67.1 -42.6 19.9 -0.9 30.3 88 92 A R H X S+ 0 0 60 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.876 109.5 49.1 -56.9 -43.7 19.1 1.7 27.6 89 93 A A H X S+ 0 0 58 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.865 108.9 53.0 -66.0 -38.5 16.6 3.3 30.1 90 94 A Q H X S+ 0 0 90 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.902 107.9 51.7 -60.2 -42.7 19.4 3.3 32.7 91 95 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -12,-0.2 -2,-0.2 0.895 111.4 47.1 -59.8 -41.7 21.7 5.0 30.3 92 96 A L H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.838 108.4 53.4 -74.1 -34.3 19.1 7.7 29.6 93 97 A E H X S+ 0 0 73 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.899 108.8 51.0 -63.4 -40.8 18.4 8.3 33.3 94 98 A I H X S+ 0 0 18 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 110.2 49.9 -61.0 -44.8 22.1 8.8 33.9 95 99 A X H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.930 111.3 48.3 -57.5 -48.8 22.1 11.3 31.0 96 100 A R H X S+ 0 0 93 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 115.1 44.9 -57.7 -48.9 19.1 13.2 32.5 97 101 A K H X S+ 0 0 51 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.782 110.5 54.4 -67.1 -30.7 20.7 13.2 36.0 98 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.905 110.4 46.1 -67.9 -41.4 24.1 14.3 34.5 99 103 A I H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 113.4 48.9 -68.0 -43.2 22.5 17.3 32.8 100 104 A Q H X S+ 0 0 68 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.889 109.9 51.7 -62.2 -41.8 20.6 18.2 36.0 101 105 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 6,-0.3 0.913 109.0 52.1 -59.5 -43.5 23.8 17.9 38.1 102 106 A A H X>S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.2 4,-1.0 0.880 108.8 49.0 -62.8 -42.2 25.5 20.3 35.6 103 107 A Q H <5S+ 0 0 49 -4,-2.1 3,-0.3 3,-0.2 -1,-0.2 0.935 115.2 46.0 -58.1 -47.9 22.6 22.9 35.9 104 108 A D H <5S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 121.6 34.0 -62.7 -45.7 22.9 22.6 39.7 105 109 A V H <5S- 0 0 11 -4,-2.7 -1,-0.2 -5,-0.1 -38,-0.2 0.417 110.0-113.5 -98.0 0.0 26.7 22.9 40.0 106 110 A G T <5 + 0 0 11 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.775 51.7 168.2 72.9 26.6 27.3 25.2 37.0 107 111 A I < - 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0 0 17 -4,-1.9 2,-0.0 -5,-0.3 -3,-0.0 -0.149 66.3-124.0 -56.3 142.7 28.9 -0.6 17.0 123 127 A N > - 0 0 103 1,-0.0 4,-2.2 4,-0.0 5,-0.1 -0.172 39.9 -88.7 -72.1 178.8 27.0 -2.9 14.7 124 128 A N H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.855 123.9 46.6 -67.7 -42.0 23.9 -1.4 12.7 125 129 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.833 114.0 49.6 -66.3 -35.3 21.1 -2.1 15.3 126 130 A T H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.897 109.7 51.5 -71.6 -42.9 23.3 -0.7 18.1 127 131 A R H X S+ 0 0 69 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.876 109.8 50.2 -56.3 -43.4 24.1 2.4 16.0 128 132 A R H X S+ 0 0 99 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.930 113.1 44.1 -64.6 -47.4 20.4 3.0 15.4 129 133 A R H X S+ 0 0 27 -4,-2.0 4,-2.3 -48,-0.2 -2,-0.2 0.889 112.8 53.4 -64.6 -37.9 19.4 2.7 19.1 130 134 A F H X S+ 0 0 8 -4,-2.6 4,-2.6 -49,-0.2 -2,-0.2 0.886 105.4 53.9 -62.2 -42.5 22.4 4.9 19.9 131 135 A R H X S+ 0 0 118 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.883 110.5 46.6 -60.0 -41.1 21.2 7.6 17.5 132 136 A D H X S+ 0 0 92 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 113.5 47.5 -67.1 -45.7 17.8 7.7 19.1 133 137 A G H X S+ 0 0 3 -4,-2.3 4,-1.8 -53,-0.2 -2,-0.2 0.877 113.6 48.8 -60.2 -42.4 19.3 7.8 22.7 134 138 A L H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.854 108.9 52.0 -65.4 -39.1 21.6 10.6 21.6 135 139 A K H X S+ 0 0 108 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.925 112.0 47.1 -65.9 -42.7 18.8 12.6 20.0 136 140 A E H X S+ 0 0 94 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.855 111.0 52.2 -61.7 -38.2 16.9 12.4 23.2 137 141 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.927 108.9 49.7 -64.7 -44.3 20.0 13.4 25.1 138 142 A V H X S+ 0 0 4 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.826 108.1 53.6 -65.6 -33.4 20.5 16.5 22.9 139 143 A E H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.926 108.8 49.2 -67.7 -43.0 16.8 17.5 23.4 140 144 A X H X S+ 0 0 26 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 110.5 51.6 -56.0 -46.4 17.3 17.3 27.2 141 145 A A H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-1.4 0.866 107.0 52.8 -57.5 -43.7 20.5 19.4 26.9 142 146 A S H <5S+ 0 0 3 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.863 108.6 50.2 -63.0 -39.6 18.5 22.1 24.8 143 147 A R H <5S+ 0 0 101 -4,-1.9 -2,-0.2 338,-0.2 -1,-0.2 0.921 119.5 36.7 -62.1 -42.6 15.9 22.4 27.5 144 148 A A H <5S- 0 0 6 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.607 104.3-130.3 -81.1 -17.4 18.6 22.8 30.2 145 149 A Q T <5 + 0 0 3 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.892 58.4 145.1 57.0 47.1 20.9 24.9 27.9 146 150 A V < - 0 0 0 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.913 49.1-121.7-114.5 137.1 23.8 22.6 28.9 147 151 A T E -e 109 0A 3 -39,-1.5 -37,-3.1 -2,-0.4 2,-0.3 -0.690 22.1-167.0 -85.9 129.5 26.4 21.8 26.3 148 152 A L E +ef 110 160A 0 11,-3.4 13,-2.5 -2,-0.4 2,-0.3 -0.835 13.9 177.7-103.9 149.0 27.1 18.2 25.4 149 153 A A E -ef 111 161A 0 -39,-2.1 -37,-3.1 -2,-0.3 2,-0.3 -0.995 9.7-174.3-148.5 153.0 30.3 17.4 23.4 150 154 A X E - f 0 162A 26 11,-1.8 13,-2.8 -2,-0.3 -37,-0.1 -0.890 40.3 -68.0-139.4 175.3 32.1 14.4 22.0 151 155 A E - 0 0 15 -39,-0.4 -1,-0.0 -2,-0.3 -39,-0.0 -0.347 55.8-104.7 -65.3 148.0 35.3 13.4 20.2 152 156 A I 0 0 16 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.752 360.0 360.0 -47.8 -56.6 35.7 14.7 16.6 153 157 A X 0 0 217 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.336 360.0 360.0 154.6 360.0 35.1 11.7 14.3 154 ! 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 0.0 155 175 A L 0 0 112 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.2 21.0 16.9 14.9 156 176 A N + 0 0 121 1,-0.1 285,-0.0 2,-0.1 3,-0.0 0.843 360.0 151.3 4.3 86.3 22.3 20.4 14.1 157 177 A N > - 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0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.173 36.4 -85.8 -57.5 150.4 -0.0 43.7 25.7 460 225 B F T 3 S+ 0 0 33 1,-0.3 45,-0.0 2,-0.2 46,-0.0 -0.374 115.6 15.3 -60.8 127.3 -0.4 40.2 24.3 461 226 B G T 3 S+ 0 0 48 -2,-0.1 -1,-0.3 -3,-0.1 0, 0.0 0.150 106.6 88.2 93.1 -17.0 -2.8 40.1 21.3 462 227 B E S < S+ 0 0 121 -3,-1.9 -2,-0.2 -4,-0.0 2,-0.1 0.467 85.0 59.1 -89.3 -4.4 -2.7 43.9 20.9 463 228 B G S S- 0 0 27 -4,-0.3 -12,-0.2 -5,-0.2 -14,-0.0 -0.168 95.6 -93.5-108.3-155.3 0.3 43.7 18.6 464 229 B V S S+ 0 0 81 -14,-3.0 2,-0.3 -39,-0.1 -13,-0.1 0.366 73.9 119.6-108.3 0.7 1.3 42.2 15.2 465 230 B V - 0 0 13 -15,-0.3 2,-1.3 1,-0.1 3,-0.2 -0.546 54.8-146.0 -77.3 126.9 3.0 38.9 16.2 466 231 B D > - 0 0 82 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.770 22.8-178.9 -86.0 91.4 1.4 35.7 14.9 467 232 B F H > S+ 0 0 6 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.899 74.6 52.8 -62.1 -43.5 2.2 33.6 18.0 468 233 B E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.926 110.3 47.1 -57.4 -49.8 0.7 30.4 16.7 469 234 B R H > S+ 0 0 133 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 111.8 50.8 -65.0 -35.5 2.7 30.5 13.4 470 235 B C H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.948 113.7 44.3 -63.5 -50.8 5.9 31.2 15.3 471 236 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.856 113.0 52.7 -61.4 -39.4 5.4 28.3 17.7 472 237 B E H X S+ 0 0 58 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.940 110.2 47.4 -58.1 -51.8 4.4 26.1 14.7 473 238 B T H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.893 113.4 48.1 -57.8 -44.9 7.6 27.0 12.9 474 239 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.906 114.7 45.1 -65.6 -40.6 9.7 26.3 16.0 475 240 B K H ><5S+ 0 0 92 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.945 115.2 46.2 -67.2 -47.2 8.1 23.0 16.7 476 241 B Q H 3<5S+ 0 0 144 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.832 110.3 54.8 -65.2 -33.0 8.2 21.8 13.0 477 242 B S T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.528 119.8-111.5 -77.2 -7.9 11.9 22.9 12.8 478 243 B G T < 5 + 0 0 51 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.640 54.4 166.9 86.2 17.0 12.7 20.8 15.9 479 244 B Y < + 0 0 23 -5,-2.5 -1,-0.3 -6,-0.2 -36,-0.1 -0.511 8.4 170.9 -61.8 124.4 13.4 23.6 18.4 480 245 B C + 0 0 34 -2,-0.3 -1,-0.1 -342,-0.1 -5,-0.0 0.161 39.3 109.1-119.9 13.1 13.5 22.0 21.9 481 246 B G S S- 0 0 4 1,-0.2 -338,-0.2 -39,-0.1 -37,-0.2 -0.108 71.0 -75.1 -84.7-175.0 14.8 25.0 23.9 482 247 B P - 0 0 2 0, 0.0 -37,-1.0 0, 0.0 2,-0.4 -0.303 29.8-142.5 -81.0 163.8 13.2 27.4 26.4 483 248 B Y E -ks 263 445C 4 -221,-2.1 -219,-2.9 -39,-0.2 2,-0.6 -0.995 11.7-157.3-125.1 130.4 10.7 30.2 26.0 484 249 B L E -ks 264 446C 0 -39,-2.8 -37,-3.4 -2,-0.4 2,-0.6 -0.938 12.6-138.3-115.5 121.2 11.0 33.3 28.1 485 250 B I E -ks 265 447C 1 -221,-3.1 -219,-2.4 -2,-0.6 2,-0.6 -0.637 21.6-154.8 -78.2 115.1 7.9 35.6 28.6 486 251 B E + 0 0 18 -39,-2.8 2,-0.3 -2,-0.6 -37,-0.2 -0.825 32.0 134.3 -99.1 113.3 9.2 39.1 28.3 487 252 B X - 0 0 25 -2,-0.6 3,-0.1 -39,-0.1 -217,-0.1 -0.984 49.6-137.9-154.3 163.5 7.2 41.9 30.1 488 253 B W > + 0 0 32 -2,-0.3 3,-1.3 1,-0.1 -219,-0.2 -0.209 51.4 135.3-118.6 40.7 7.6 44.9 32.3 489 254 B S G > + 0 0 13 1,-0.3 3,-0.9 2,-0.2 -220,-0.3 0.436 44.6 95.5 -75.8 -0.4 4.7 44.4 34.8 490 255 B E G 3 S+ 0 0 58 -222,-2.5 -218,-0.4 1,-0.2 -1,-0.3 0.759 89.5 49.1 -52.9 -26.9 7.0 45.2 37.8 491 256 B T G < S+ 0 0 118 -3,-1.3 -1,-0.2 -223,-0.3 -2,-0.2 0.707 97.6 102.0 -84.6 -23.7 5.4 48.7 37.4 492 257 B A S < S- 0 0 23 -3,-0.9 -3,-0.0 -4,-0.2 6,-0.0 0.003 84.9 -99.4 -75.7 162.3 1.8 47.5 37.2 493 258 B E S S- 0 0 158 1,-0.3 -1,-0.0 2,-0.1 -4,-0.0 0.930 113.9 -0.8 -24.6 -84.8 -1.2 47.4 39.4 494 259 B D S > S- 0 0 92 1,-0.1 4,-2.0 2,-0.0 -1,-0.3 -0.918 70.2-169.2-120.4 103.6 -0.9 43.7 40.4 495 260 B P H > S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.922 84.7 55.2 -53.7 -49.2 2.2 42.2 38.6 496 261 B A H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 109.1 46.0 -56.6 -43.0 1.3 38.6 39.6 497 262 B A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 113.5 49.5 -68.3 -42.4 -2.2 38.8 38.1 498 263 B E H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 113.5 47.4 -59.8 -40.8 -0.9 40.5 34.9 499 264 B V H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.938 110.4 50.2 -68.7 -47.1 1.8 37.7 34.7 500 265 B A H X S+ 0 0 21 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.860 111.4 50.8 -58.3 -36.4 -0.7 34.8 35.2 501 266 B K H X S+ 0 0 144 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 112.8 44.0 -68.4 -47.4 -2.9 36.3 32.5 502 267 B A H X S+ 0 0 10 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.932 112.1 55.0 -60.2 -47.2 -0.0 36.6 30.0 503 268 B R H X S+ 0 0 45 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.927 110.7 43.8 -50.2 -54.5 1.1 33.1 31.0 504 269 B D H X S+ 0 0 84 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.899 113.8 51.6 -61.4 -42.7 -2.3 31.5 30.2 505 270 B W H X S+ 0 0 56 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.933 111.4 45.7 -58.6 -50.2 -2.6 33.5 27.0 506 271 B V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.935 111.8 51.9 -62.3 -44.2 0.8 32.4 25.7 507 272 B K H X S+ 0 0 103 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.800 105.8 55.4 -62.8 -31.8 0.2 28.7 26.6 508 273 B A H X S+ 0 0 44 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.898 108.5 47.7 -65.2 -42.2 -3.1 28.8 24.8 509 274 B R H X S+ 0 0 59 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.894 111.3 51.2 -63.3 -41.4 -1.2 29.9 21.6 510 275 B X H <>S+ 0 0 7 -4,-2.3 5,-2.4 2,-0.2 -2,-0.2 0.877 109.2 50.6 -61.5 -42.7 1.3 27.2 22.2 511 276 B A H ><5S+ 0 0 66 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.909 107.7 52.8 -60.1 -45.8 -1.5 24.6 22.5 512 277 B K H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.6 55.6 -57.4 -35.4 -3.1 25.9 19.2 513 278 B A T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 125.0-102.7 -81.4 -0.1 0.3 25.3 17.5 514 279 B G T < 5 0 0 49 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.674 360.0 360.0 89.5 22.2 0.4 21.7 18.6 515 280 B X < 0 0 71 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.725 360.0 360.0 -91.3 360.0 2.8 21.9 21.6