==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, CELL INVASION 24-JUN-13 4LDQ . COMPND 2 MOLECULE: METHYLTHIORIBOSE-1-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.SOUSA,P.D.TEMPLETON,S.I.METZNER . 709 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 36 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 4 1 0 4 0 1 6 0 0 0 0 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 6 4 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 . 3 4 4 4 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 2 2 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 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 2 A T 0 0 86 0, 0.0 2,-0.1 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 161.8 38.5 45.8 20.8 2 3 A L - 0 0 1 212,-0.1 175,-0.6 175,-0.1 2,-0.5 -0.384 360.0-157.3 -61.1 132.3 38.2 42.0 20.7 3 4 A E + 0 0 90 1,-0.1 3,-0.1 173,-0.1 173,-0.1 -0.968 30.1 170.2-119.6 120.4 37.8 40.7 17.2 4 5 A A S S+ 0 0 9 -2,-0.5 11,-2.5 171,-0.3 2,-0.5 0.603 86.3 47.4 -90.2 -20.6 36.2 37.4 16.3 5 6 A I E -A 14 0A 9 170,-0.4 2,-0.6 9,-0.2 -1,-0.3 -0.980 66.1-175.2-125.0 118.7 36.3 38.6 12.7 6 7 A R E +A 13 0A 85 7,-2.0 7,-2.5 -2,-0.5 2,-0.4 -0.949 19.8 171.9-109.8 107.8 39.4 40.2 11.2 7 8 A Y E +A 12 0A 41 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.977 14.6 158.7-126.9 132.0 38.6 41.4 7.8 8 9 A S E > -A 11 0A 80 3,-3.1 3,-2.9 -2,-0.4 2,-0.2 -0.926 59.4 -76.8-133.3 156.9 40.5 43.5 5.3 9 10 A R T 3 S+ 0 0 82 -2,-0.3 51,-0.1 1,-0.3 3,-0.1 -0.393 124.4 10.3 -57.6 123.3 39.8 43.6 1.6 10 11 A G T 3 S+ 0 0 44 -2,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.370 121.6 82.0 87.4 -3.3 41.4 40.5 0.2 11 12 A S E < +A 8 0A 52 -3,-2.9 -3,-3.1 2,-0.0 2,-0.4 -0.958 47.9 171.4-141.8 120.7 41.9 39.0 3.7 12 13 A L E +A 7 0A 4 -2,-0.4 17,-2.6 17,-0.3 2,-0.3 -0.994 5.3 169.3-127.0 129.8 39.5 37.3 6.0 13 14 A Q E -AB 6 28A 61 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.4 -0.955 12.7-158.6-131.0 157.1 40.3 35.6 9.3 14 15 A I E -AB 5 27A 0 13,-2.3 13,-2.7 -2,-0.3 2,-0.3 -0.991 21.6-118.0-136.7 143.4 38.2 34.2 12.1 15 16 A L E - B 0 26A 3 -11,-2.5 2,-0.8 -2,-0.4 11,-0.2 -0.636 31.8-127.0 -74.7 134.3 38.6 33.4 15.7 16 17 A D > - 0 0 5 9,-2.2 3,-0.7 -2,-0.3 4,-0.5 -0.766 20.6-169.1 -87.8 107.3 38.1 29.7 16.4 17 18 A Q T 3 S+ 0 0 7 26,-1.9 3,-0.2 -2,-0.8 -1,-0.1 0.654 78.2 71.5 -72.9 -17.0 35.5 29.4 19.2 18 19 A L T 3 S+ 0 0 95 1,-0.2 -1,-0.2 3,-0.1 25,-0.1 0.890 100.6 45.4 -63.8 -39.2 36.1 25.7 19.7 19 20 A L S <> S+ 0 0 45 -3,-0.7 4,-2.5 6,-0.1 3,-0.4 0.591 97.9 136.1 -85.2 -13.0 39.5 26.4 21.3 20 21 A L T 4 + 0 0 6 -4,-0.5 190,-0.1 1,-0.3 4,-0.1 -0.448 52.7 22.4 -72.2 156.6 38.2 29.2 23.5 21 22 A P T 4 S+ 0 0 16 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.993 126.3 44.6 -89.6 -0.1 38.6 30.0 26.2 22 23 A K T 4 S+ 0 0 186 -3,-0.4 2,-0.3 1,-0.1 -2,-0.2 0.934 121.8 23.5 -65.5 -46.0 41.9 28.2 26.8 23 24 A Q < - 0 0 99 -4,-2.5 2,-0.6 -7,-0.1 -1,-0.1 -0.913 61.1-145.2-125.6 151.5 43.4 29.3 23.4 24 25 A S + 0 0 69 -2,-0.3 2,-0.4 -4,-0.1 -7,-0.1 -0.960 29.5 167.7-109.2 117.0 43.1 32.1 20.9 25 26 A R - 0 0 136 -2,-0.6 -9,-2.2 -9,-0.3 2,-0.5 -0.997 21.2-151.0-134.8 130.8 43.7 30.8 17.3 26 27 A Y E -B 15 0A 55 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.877 10.5-161.8-109.3 131.4 42.9 32.7 14.1 27 28 A E E -B 14 0A 52 -13,-2.7 -13,-2.3 -2,-0.5 2,-0.2 -0.892 16.8-125.1-115.0 134.7 42.1 30.8 10.9 28 29 A A E -B 13 0A 67 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.3 -0.487 14.5-158.2 -74.9 147.9 42.2 32.2 7.4 29 30 A V + 0 0 3 -17,-2.6 -17,-0.3 -2,-0.2 31,-0.1 -0.921 24.1 160.0-126.2 101.8 39.1 31.9 5.2 30 31 A G + 0 0 46 -2,-0.5 2,-0.3 -19,-0.1 -1,-0.1 0.481 62.6 40.7 -98.2 -4.7 40.1 32.2 1.6 31 32 A S S > S- 0 0 25 1,-0.1 4,-1.8 29,-0.0 5,-0.1 -0.973 72.7-124.2-148.4 152.9 36.9 30.6 0.2 32 33 A V H > S+ 0 0 0 -2,-0.3 4,-2.5 25,-0.2 5,-0.1 0.881 116.6 54.7 -63.0 -38.2 33.1 30.4 0.6 33 34 A H H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 105.7 51.7 -63.6 -38.4 33.5 26.7 1.0 34 35 A Q H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 110.8 47.6 -65.2 -39.0 36.0 27.2 3.8 35 36 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.903 108.3 55.9 -65.8 -42.9 33.5 29.6 5.6 36 37 A W H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 111.1 44.0 -56.9 -43.5 30.7 27.0 5.0 37 38 A E H X S+ 0 0 95 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.887 111.2 51.6 -71.2 -41.5 32.8 24.4 6.9 38 39 A A H X>S+ 0 0 3 -4,-2.2 5,-2.4 2,-0.2 6,-0.8 0.875 112.2 48.9 -63.6 -35.8 33.9 26.7 9.7 39 40 A I H ><5S+ 0 0 1 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.924 112.6 45.6 -67.8 -46.4 30.2 27.5 10.2 40 41 A R H 3<5S+ 0 0 176 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 112.8 53.0 -60.4 -39.1 29.2 23.9 10.2 41 42 A A H 3<5S- 0 0 44 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.596 110.8-126.5 -73.8 -14.4 32.1 23.3 12.5 42 43 A M T <<5S+ 0 0 65 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.777 70.4 132.0 69.2 30.4 30.8 26.0 14.9 43 44 A K S S- 0 0 20 -2,-0.3 4,-2.4 3,-0.1 3,-0.2 0.495 74.9-115.5 90.4 121.0 26.4 34.4 16.7 47 48 A A H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 113.8 49.5 -57.0 -48.6 24.0 34.7 13.8 48 49 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.892 113.0 48.6 -59.8 -36.3 25.1 38.1 12.6 49 50 A A H > S+ 0 0 2 124,-0.3 4,-2.8 -3,-0.2 -2,-0.2 0.877 110.1 51.4 -68.1 -40.4 28.8 37.0 12.7 50 51 A I H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.931 110.9 47.7 -60.4 -47.9 27.9 33.8 10.7 51 52 A A H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.891 114.4 47.4 -61.8 -41.0 26.1 35.8 8.1 52 53 A L H X S+ 0 0 5 -4,-1.9 4,-3.3 -5,-0.2 5,-0.3 0.898 108.4 53.4 -68.6 -42.3 29.0 38.2 7.9 53 54 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.900 113.3 44.9 -61.7 -39.4 31.7 35.5 7.7 54 55 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.956 115.9 44.4 -68.1 -50.7 29.8 33.9 4.8 55 56 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.884 115.4 48.8 -63.1 -39.5 29.2 37.2 2.9 56 57 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.883 106.9 56.5 -68.0 -35.3 32.8 38.4 3.6 57 58 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -25,-0.2 0.886 108.5 46.5 -64.6 -38.1 34.1 35.0 2.3 58 59 A L H X S+ 0 0 0 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.900 110.0 55.1 -65.0 -40.0 32.2 35.5 -1.0 59 60 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.863 107.1 49.8 -60.1 -36.7 33.7 39.1 -0.9 60 61 A V H X S+ 0 0 15 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.899 113.1 45.6 -68.9 -42.9 37.2 37.5 -0.6 61 62 A E H ><>S+ 0 0 25 -4,-1.9 5,-1.8 2,-0.2 3,-0.8 0.925 110.6 53.4 -64.4 -44.6 36.5 35.2 -3.5 62 63 A L H ><5S+ 0 0 1 -4,-3.7 3,-1.0 1,-0.3 -2,-0.2 0.826 106.3 53.4 -61.6 -30.0 35.0 38.1 -5.5 63 64 A Q H 3<5S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.803 99.6 64.9 -69.2 -28.0 38.3 39.9 -4.8 64 65 A A T <<5S- 0 0 80 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.460 120.2-107.7 -73.4 -0.9 40.0 36.9 -6.3 65 66 A G T < 5S+ 0 0 47 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.447 72.6 153.6 79.4 2.1 38.5 37.5 -9.7 66 67 A A < + 0 0 26 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.0 -0.336 37.8 34.3 -67.2 144.1 36.4 34.5 -8.8 67 68 A G S S+ 0 0 19 1,-0.2 7,-0.2 -3,-0.1 6,-0.1 -0.069 90.1 28.8 89.9 161.8 33.0 34.2 -10.5 68 69 A G - 0 0 25 5,-0.3 -1,-0.2 1,-0.2 2,-0.1 -0.678 33.2-159.1 90.3-156.2 31.9 35.3 -14.0 69 70 A P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.627 87.5 10.9 -91.5 157.5 33.0 35.6 -16.6 70 71 A G S S- 0 0 53 1,-0.1 47,-0.3 3,-0.1 -2,-0.0 -0.723 99.9 -89.3 128.5 -81.3 30.6 38.0 -18.3 71 72 A L S > S+ 0 0 46 -2,-0.4 4,-1.7 46,-0.1 5,-0.1 -0.288 120.7 55.0 165.4 -62.8 28.1 39.6 -16.0 72 73 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.766 107.3 56.3 -66.6 -26.5 25.1 37.3 -15.9 73 74 A A H > S+ 0 0 38 -4,-0.2 4,-2.1 2,-0.2 -5,-0.3 0.908 104.7 50.7 -69.0 -44.9 27.6 34.5 -14.9 74 75 A L H > S+ 0 0 0 2,-0.2 4,-3.1 -7,-0.2 -2,-0.2 0.860 108.4 52.1 -63.7 -39.8 28.8 36.5 -11.9 75 76 A V H X S+ 0 0 20 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.937 111.2 46.1 -61.7 -47.8 25.2 37.1 -10.6 76 77 A A H X S+ 0 0 57 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.853 113.4 52.2 -62.5 -34.7 24.5 33.4 -10.8 77 78 A F H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 111.1 45.0 -63.9 -51.8 27.8 32.8 -9.1 78 79 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.962 115.7 47.2 -57.7 -50.9 26.9 35.2 -6.3 79 80 A R H X S+ 0 0 132 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.814 110.1 53.1 -64.2 -31.8 23.5 33.8 -5.9 80 81 A D H X S+ 0 0 103 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.935 111.6 44.1 -69.7 -45.8 24.8 30.2 -6.0 81 82 A K H X S+ 0 0 49 -4,-2.3 4,-3.6 2,-0.2 -2,-0.2 0.888 113.2 51.3 -66.0 -40.3 27.3 30.8 -3.2 82 83 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.946 113.6 43.6 -63.2 -47.3 24.8 32.7 -1.1 83 84 A S H X S+ 0 0 72 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.866 115.2 51.6 -65.2 -35.0 22.2 30.0 -1.4 84 85 A F H >X S+ 0 0 52 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.916 105.1 55.1 -63.7 -45.3 25.1 27.5 -0.7 85 86 A L H >X S+ 0 0 3 -4,-3.6 3,-1.1 1,-0.3 4,-0.5 0.872 100.9 59.6 -57.2 -38.2 26.1 29.5 2.4 86 87 A V H 3< S+ 0 0 40 -4,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.817 93.3 67.7 -60.8 -29.9 22.6 29.1 3.8 87 88 A T H << S+ 0 0 79 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.788 87.8 67.4 -63.9 -29.0 22.9 25.3 3.8 88 89 A A H << S- 0 0 15 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.938 121.7 -3.7 -59.2 -61.1 25.6 25.1 6.5 89 90 A R >< + 0 0 61 -4,-0.5 3,-0.9 -3,-0.2 -1,-0.2 -0.624 65.1 171.7-144.9 77.5 23.7 26.3 9.6 90 91 A P T 3 + 0 0 83 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.295 60.4 88.7 -67.1 -2.5 20.0 27.4 8.9 91 92 A T T 3 S+ 0 0 123 1,-0.1 2,-0.6 2,-0.1 -44,-0.0 0.847 84.6 66.5 -66.3 -32.3 18.8 27.8 12.6 92 93 A A < - 0 0 19 -3,-0.9 3,-0.5 1,-0.1 4,-0.4 -0.807 69.9-168.1 -87.2 120.5 20.1 31.4 12.2 93 94 A V S > S+ 0 0 80 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.403 70.3 89.8 -91.6 2.2 18.0 33.2 9.6 94 95 A N H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 86.3 49.9 -65.9 -38.1 20.5 36.0 9.5 95 96 A M H > S+ 0 0 5 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.918 111.3 48.3 -65.8 -45.2 22.4 34.3 6.7 96 97 A A H > S+ 0 0 35 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.885 111.6 50.4 -63.0 -39.6 19.3 33.7 4.7 97 98 A R H X S+ 0 0 93 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.901 112.8 47.3 -62.5 -41.3 18.2 37.4 5.2 98 99 A A H X S+ 0 0 10 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.861 106.8 56.6 -69.3 -37.9 21.7 38.5 4.0 99 100 A A H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 107.9 47.9 -64.5 -41.8 21.7 36.2 0.9 100 101 A R H X S+ 0 0 141 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.964 113.6 45.6 -60.0 -54.6 18.4 37.7 -0.4 101 102 A D H X S+ 0 0 75 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.958 116.8 44.1 -60.6 -50.3 19.5 41.3 0.1 102 103 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.883 115.1 49.1 -61.9 -39.0 23.0 40.7 -1.5 103 104 A A H X S+ 0 0 12 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.3 0.889 112.9 48.2 -64.6 -37.9 21.4 38.6 -4.3 104 105 A D H X S+ 0 0 79 -4,-3.5 4,-2.9 2,-0.2 -2,-0.3 0.843 110.9 52.0 -68.3 -33.8 18.9 41.5 -4.7 105 106 A V H X S+ 0 0 10 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.933 111.1 45.0 -69.4 -46.1 21.9 43.9 -4.7 106 107 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.905 117.6 46.3 -63.5 -41.1 23.8 42.0 -7.4 107 108 A A H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.972 111.4 48.7 -65.9 -55.2 20.6 41.7 -9.4 108 109 A R H < S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.873 116.7 44.4 -53.8 -41.3 19.5 45.4 -9.0 109 110 A E H >< S+ 0 0 28 -4,-2.1 3,-1.3 1,-0.2 -1,-0.3 0.835 109.6 54.8 -73.1 -35.4 23.0 46.5 -10.1 110 111 A A H 3< S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.820 101.9 62.7 -63.6 -28.3 23.1 43.9 -12.9 111 112 A E T 3< S+ 0 0 161 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.379 81.2 106.3 -82.3 2.5 19.9 45.5 -14.1 112 113 A R S X S- 0 0 163 -3,-1.3 3,-1.2 1,-0.1 2,-0.2 -0.509 77.8-105.7 -87.4 151.7 21.4 49.0 -14.8 113 114 A E T 3 S+ 0 0 197 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.515 108.1 26.9 -73.0 144.2 22.0 50.3 -18.2 114 115 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.0 0.645 90.6 175.1 77.5 15.8 25.7 50.4 -19.1 115 116 A A < - 0 0 38 -3,-1.2 2,-0.3 -5,-0.2 -1,-0.2 -0.171 9.9-170.0 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25,-0.1 0.812 100.2 45.5 -61.5 -29.1 31.8 9.4 47.0 373 20 B L T X> S+ 0 0 51 -3,-0.8 4,-2.0 6,-0.2 3,-0.6 0.658 96.0 141.4 -92.0 -17.4 30.5 6.7 44.6 374 21 B L T 3< + 0 0 7 -4,-0.5 4,-0.1 -3,-0.3 190,-0.1 -0.410 53.3 15.5 -70.5 150.2 27.1 8.4 44.1 375 22 B P T 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.993 125.0 45.7 -97.6 2.6 25.3 8.7 41.8 376 23 B K T <4 S+ 0 0 198 -3,-0.6 2,-0.4 1,-0.2 -2,-0.2 0.957 124.6 25.2 -62.8 -47.5 26.7 6.1 39.4 377 24 B Q < - 0 0 91 -4,-2.0 2,-0.6 -7,-0.1 -1,-0.2 -0.942 62.3-156.7-125.1 136.1 26.9 3.5 42.1 378 25 B S + 0 0 72 -2,-0.4 2,-0.3 -3,-0.1 -7,-0.1 -0.950 33.2 154.7-106.1 121.9 25.2 2.9 45.4 379 26 B R - 0 0 137 -2,-0.6 -9,-2.4 -9,-0.3 2,-0.2 -0.991 33.2-131.4-152.9 141.8 27.3 0.8 47.8 380 27 B Y E -X 369 0H 58 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.608 10.9-157.0 -96.6 149.5 27.6 0.3 51.5 381 28 B E E -X 368 0H 66 -13,-2.9 -13,-2.6 -2,-0.2 2,-0.3 -0.988 20.4-125.3-122.9 135.4 30.7 0.3 53.6 382 29 B A E -X 367 0H 70 -2,-0.4 2,-0.8 -15,-0.2 -15,-0.2 -0.624 16.5-149.7 -79.1 134.3 31.0 -1.4 57.0 383 30 B V + 0 0 4 -17,-2.8 -17,-0.3 -2,-0.3 31,-0.1 -0.871 20.8 172.8-110.0 98.9 32.1 0.8 59.8 384 31 B G + 0 0 42 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.783 58.5 11.8 -76.6 -30.0 34.0 -1.3 62.3 385 32 B S S > S- 0 0 32 1,-0.1 4,-2.2 29,-0.1 3,-0.2 -0.935 74.1-101.0-149.9 164.7 35.3 1.4 64.7 386 33 B V H > S+ 0 0 0 25,-0.3 4,-2.4 -2,-0.3 5,-0.1 0.863 123.0 53.9 -52.9 -37.6 35.2 5.0 65.9 387 34 B H H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 106.2 50.4 -69.4 -37.2 38.4 5.4 63.9 388 35 B Q H > S+ 0 0 89 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.889 111.4 48.5 -66.8 -38.8 36.8 4.1 60.7 389 36 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.921 109.8 53.0 -64.3 -44.3 33.9 6.5 61.2 390 37 B W H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.924 112.6 43.6 -56.0 -47.4 36.4 9.3 61.7 391 38 B E H X S+ 0 0 108 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.816 114.1 50.8 -70.7 -30.8 38.1 8.5 58.5 392 39 B A H <>S+ 0 0 3 -4,-2.0 5,-2.4 2,-0.2 6,-0.7 0.902 110.0 49.2 -73.6 -42.0 34.9 8.1 56.6 393 40 B I H ><5S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.901 113.4 46.9 -62.9 -41.9 33.5 11.4 57.8 394 41 B R H 3<5S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 107.6 54.7 -73.6 -33.3 36.6 13.2 56.8 395 42 B A T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.436 115.6-120.4 -77.5 -0.5 36.8 11.5 53.4 396 43 B M T < 5S+ 0 0 106 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.783 75.1 131.7 66.8 31.2 33.2 12.9 52.9 397 44 B K < + 0 0 42 -5,-2.4 -26,-1.9 -26,-0.1 2,-0.4 0.728 69.8 56.5 -75.4 -26.6 31.7 9.5 52.5 398 45 B V S S- 0 0 9 -6,-0.7 2,-0.4 -28,-0.1 -2,-0.1 -0.923 77.5-167.1-111.4 133.2 29.1 10.6 55.0 399 46 B R + 0 0 48 -2,-0.4 4,-0.1 129,-0.1 -41,-0.0 -0.965 44.4 46.9-132.2 138.8 27.2 13.7 54.3 400 47 B G S > S- 0 0 15 -2,-0.4 4,-3.3 3,-0.1 3,-0.2 0.398 72.8-114.6 99.2 122.0 24.9 15.9 56.5 401 48 B A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 116.8 49.4 -54.2 -43.2 25.8 17.1 60.0 402 49 B P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 115.4 44.2 -66.6 -34.8 22.9 15.1 61.6 403 50 B A H > S+ 0 0 2 124,-0.4 4,-2.3 -3,-0.2 -2,-0.2 0.863 112.0 53.4 -71.7 -38.8 24.0 12.0 59.7 404 51 B I H X S+ 0 0 10 -4,-3.3 4,-1.6 2,-0.2 -3,-0.2 0.892 110.2 47.5 -63.2 -40.0 27.7 12.7 60.5 405 52 B A H X S+ 0 0 7 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.930 112.6 48.9 -65.7 -45.4 26.9 12.9 64.2 406 53 B L H X S+ 0 0 6 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.852 108.7 53.5 -66.7 -33.7 24.8 9.7 64.1 407 54 B V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.890 110.6 45.7 -70.8 -38.1 27.6 7.8 62.3 408 55 B G H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.930 116.4 43.6 -70.3 -44.4 30.2 8.7 64.9 409 56 B C H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.896 112.6 52.8 -69.1 -39.0 28.1 7.9 67.9 410 57 B L H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.864 105.8 54.8 -64.6 -34.0 26.8 4.7 66.4 411 58 B S H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -25,-0.3 0.784 104.7 53.9 -72.2 -26.3 30.3 3.5 65.7 412 59 B L H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 -1,-0.2 0.907 106.1 52.6 -68.1 -41.4 31.1 4.0 69.4 413 60 B A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.766 105.9 54.3 -66.4 -26.1 28.2 1.8 70.3 414 61 B V H X S+ 0 0 16 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.898 108.9 47.6 -74.1 -41.0 29.6 -0.9 68.0 415 62 B E H <>S+ 0 0 32 -4,-1.5 5,-3.1 2,-0.2 -2,-0.2 0.899 114.5 47.4 -63.0 -40.9 32.9 -0.7 69.8 416 63 B L H ><5S+ 0 0 0 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.873 108.7 53.1 -69.0 -38.0 31.0 -0.9 73.2 417 64 B Q H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.877 106.5 54.0 -64.3 -35.6 28.8 -3.8 72.0 418 65 B A T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.522 126.5-108.2 -73.6 -8.2 32.1 -5.5 71.1 419 66 B G T < 5 + 0 0 42 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.691 64.0 157.4 88.8 21.7 33.1 -4.9 74.7 420 67 B A < + 0 0 28 -5,-3.1 -1,-0.2 -6,-0.1 11,-0.0 -0.406 37.9 52.4 -74.7 156.2 35.7 -2.2 74.0 421 68 B G S S- 0 0 15 1,-0.3 7,-0.2 -2,-0.1 3,-0.1 0.080 90.8 -5.3 91.3 152.2 36.6 0.2 76.8 422 69 B G - 0 0 31 5,-1.0 -1,-0.3 1,-0.3 2,-0.2 -0.349 29.3-147.8 65.5-157.5 37.6 -0.7 80.3 423 70 B P S S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.496 96.9 36.4 -72.2 160.9 37.9 -3.0 81.9 424 71 B G S S- 0 0 46 -2,-0.2 47,-0.2 -3,-0.1 0, 0.0 -0.946 91.0-110.2 137.7-111.1 37.0 -1.0 85.0 425 72 B L S >> S+ 0 0 49 -2,-0.4 4,-3.3 46,-0.1 3,-0.5 -0.172 113.4 50.6 175.6 -57.8 34.4 1.7 84.8 426 73 B A H 3> S+ 0 0 76 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.715 112.1 54.6 -69.9 -19.8 36.2 5.0 85.2 427 74 B A H 3> S+ 0 0 49 2,-0.2 -5,-1.0 3,-0.2 4,-0.7 0.658 110.8 45.4 -79.6 -20.7 38.4 3.4 82.5 428 75 B L H <> S+ 0 0 0 -3,-0.5 4,-2.6 -7,-0.2 -2,-0.2 0.822 111.3 48.5 -92.0 -40.1 35.2 3.0 80.5 429 76 B V H X S+ 0 0 19 -4,-3.3 4,-2.6 2,-0.2 5,-0.3 0.936 113.9 50.3 -61.1 -42.4 33.8 6.5 81.1 430 77 B A H X S+ 0 0 53 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.874 108.8 52.3 -60.8 -38.5 37.3 7.6 80.1 431 78 B F H X S+ 0 0 35 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.934 111.5 45.3 -62.9 -48.4 37.0 5.4 77.0 432 79 B V H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.961 113.0 48.2 -62.1 -54.2 33.7 7.0 76.0 433 80 B R H X S+ 0 0 122 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.818 111.6 51.7 -58.3 -34.5 34.7 10.6 76.5 434 81 B D H X S+ 0 0 98 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.888 109.0 49.1 -70.9 -40.4 37.9 10.1 74.6 435 82 B K H X S+ 0 0 45 -4,-1.9 4,-1.5 -3,-0.2 -2,-0.2 0.867 113.1 48.2 -68.9 -34.9 36.2 8.6 71.6 436 83 B L H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 3,-0.2 0.968 109.7 48.6 -69.3 -53.5 33.7 11.4 71.5 437 84 B S H X S+ 0 0 73 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.826 115.0 48.6 -61.2 -28.7 36.1 14.3 71.8 438 85 B F H < S+ 0 0 63 -4,-1.6 4,-0.5 2,-0.2 3,-0.3 0.818 108.2 53.5 -73.4 -33.9 38.0 12.4 69.0 439 86 B L H >X S+ 0 0 1 -4,-1.5 3,-1.0 -3,-0.2 4,-0.5 0.858 103.3 57.5 -67.7 -33.4 34.7 12.2 67.1 440 87 B V H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 98.3 62.8 -67.0 -24.6 34.3 16.0 67.5 441 88 B T T 3< S+ 0 0 61 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.727 86.1 75.6 -72.1 -21.9 37.7 16.4 65.7 442 89 B A T <4 S- 0 0 5 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.937 118.5 -8.9 -62.0 -55.7 36.5 14.8 62.4 443 90 B R >< + 0 0 79 -4,-0.5 2,-1.1 -3,-0.2 3,-1.0 -0.621 58.9 179.6-147.1 79.7 34.4 17.6 60.9 444 91 B P T 3 + 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.015 50.1 117.6 -78.9 38.9 33.8 20.5 63.3 445 92 B T T 3 S+ 0 0 99 -2,-1.1 2,-0.3 1,-0.1 -44,-0.0 0.840 79.8 21.5 -60.4 -36.3 31.8 22.2 60.5 446 93 B A S <> S- 0 0 37 -3,-1.0 4,-0.5 -45,-0.1 3,-0.4 -0.851 72.3-116.9-144.1 168.8 28.8 21.9 62.8 447 94 B V H > S+ 0 0 77 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.661 88.7 88.3 -80.5 -21.5 27.4 21.6 66.3 448 95 B N H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 91.2 42.8 -56.3 -44.4 25.6 18.3 65.9 449 96 B M H > S+ 0 0 10 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.950 116.8 46.5 -66.1 -51.2 28.5 16.0 66.8 450 97 B A H X S+ 0 0 45 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.914 113.8 50.6 -57.7 -43.4 29.6 18.2 69.8 451 98 B R H X S+ 0 0 125 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.938 112.4 44.6 -59.5 -50.4 26.0 18.4 70.9 452 99 B A H X S+ 0 0 12 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.827 109.3 58.3 -65.0 -31.7 25.5 14.6 70.8 453 100 B A H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 105.7 49.4 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