==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-OCT-12 4HNL . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS GALLINARUM EG2; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 1 0 0 0 2 1 0 3 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 2 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 1 0 0 0 1 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 1 0 0 0 1 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 Q 0 0 216 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 37.9 38.6 -13.1 2 0 A S + 0 0 132 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.591 360.0 31.4 -92.5 -14.1 36.9 38.3 -9.4 3 1 A M - 0 0 75 3,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.871 63.6-167.9-155.9 120.6 38.1 34.7 -9.4 4 2 A T - 0 0 78 -2,-0.3 63,-0.0 1,-0.2 0, 0.0 -0.529 44.4 -77.6 -97.8 161.7 40.8 32.7 -11.2 5 3 A P - 0 0 66 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.220 35.6-142.2 -54.7 147.2 41.2 28.9 -11.3 6 4 A T - 0 0 0 -3,-0.1 60,-3.2 25,-0.1 2,-0.4 -0.911 22.5-151.3-115.1 99.3 42.7 27.3 -8.2 7 5 A I B -A 65 0A 51 -2,-0.7 24,-1.9 58,-0.2 2,-0.5 -0.567 10.8-127.4 -85.7 128.7 45.0 24.6 -9.6 8 6 A I E +B 30 0B 2 56,-2.6 55,-2.5 -2,-0.4 22,-0.3 -0.591 31.4 171.7 -71.3 122.7 45.7 21.5 -7.5 9 7 A T E + 0 0 60 20,-2.5 2,-0.3 -2,-0.5 21,-0.2 0.531 62.1 6.9-112.9 -13.7 49.5 21.1 -7.3 10 8 A D E -B 29 0B 31 19,-1.3 19,-2.3 51,-0.1 2,-0.4 -0.969 49.5-159.2-160.7 157.6 49.8 18.3 -4.8 11 9 A V E +B 28 0B 3 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.976 22.1 178.5-136.8 123.6 47.7 15.8 -2.8 12 10 A K E -B 27 0B 58 15,-2.7 15,-2.7 -2,-0.4 2,-0.4 -0.915 12.6-156.8-125.2 149.9 49.2 14.2 0.3 13 11 A S E -B 26 0B 7 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.975 0.8-161.7-127.5 148.5 48.0 11.7 2.8 14 12 A F E -B 25 0B 32 11,-2.8 11,-2.3 -2,-0.4 2,-0.7 -0.963 2.6-168.5-132.6 111.8 49.0 11.2 6.4 15 13 A A E +B 24 0B 19 -2,-0.5 366,-0.6 9,-0.2 2,-0.3 -0.915 30.7 157.6-100.3 115.2 48.2 8.0 8.3 16 14 A I E -BC 23 380B 7 7,-2.1 7,-3.5 -2,-0.7 365,-0.1 -0.910 39.4-155.0-140.1 159.5 49.1 8.6 11.9 17 15 A K + 0 0 38 362,-2.5 5,-0.1 -2,-0.3 -2,-0.0 -0.607 23.2 160.1-136.6 76.7 48.3 7.5 15.5 18 16 A P S S- 0 0 5 0, 0.0 325,-0.1 0, 0.0 -1,-0.1 0.880 77.5 -7.7 -65.0 -39.0 49.0 10.3 18.0 19 17 A D S S- 0 0 41 2,-0.4 323,-0.0 -3,-0.1 3,-0.0 0.119 119.5 -30.4-127.8-121.5 46.8 8.7 20.6 20 18 A R S S+ 0 0 158 292,-0.1 2,-0.4 1,-0.1 293,-0.1 0.682 112.7 56.5 -83.5 -16.2 44.5 5.7 20.7 21 19 A H S S- 0 0 39 291,-0.1 -2,-0.4 293,-0.1 2,-0.3 -0.936 77.7-118.6-126.1 137.7 43.2 5.7 17.2 22 20 A N - 0 0 7 -2,-0.4 2,-0.3 21,-0.3 -5,-0.2 -0.589 38.1-168.6 -66.0 127.9 44.6 5.5 13.7 23 21 A L E -B 16 0B 8 -7,-3.5 -7,-2.1 -2,-0.3 2,-0.4 -0.835 13.9-157.3-115.9 153.2 43.7 8.7 11.8 24 22 A V E +B 15 0B 1 -2,-0.3 16,-2.8 -9,-0.2 2,-0.4 -0.980 14.3 179.2-130.8 124.1 44.1 9.5 8.1 25 23 A V E -BD 14 39B 1 -11,-2.3 -11,-2.8 -2,-0.4 2,-0.4 -0.925 13.4-149.4-121.1 150.8 44.2 13.1 7.0 26 24 A V E -BD 13 38B 0 12,-2.4 12,-2.2 -2,-0.4 2,-0.4 -0.913 4.3-160.8-117.6 142.8 44.6 14.5 3.5 27 25 A K E -BD 12 37B 35 -15,-2.7 -15,-2.7 -2,-0.4 2,-0.5 -0.992 2.3-163.2-124.3 128.3 46.2 17.8 2.4 28 26 A V E -BD 11 36B 0 8,-2.4 8,-2.3 -2,-0.4 2,-0.3 -0.961 9.8-159.9-110.9 124.4 45.5 19.4 -1.0 29 27 A E E -B 10 0B 42 -19,-2.3 -20,-2.5 -2,-0.5 -19,-1.3 -0.758 7.3-161.6-102.1 152.8 48.0 22.0 -2.2 30 28 A T E > -B 8 0B 8 -2,-0.3 3,-1.8 -22,-0.3 -22,-0.2 -0.857 35.2-109.8-132.9 166.8 47.4 24.7 -4.8 31 29 A N T 3 S+ 0 0 94 -24,-1.9 -23,-0.1 -2,-0.3 -25,-0.1 0.668 116.5 61.9 -67.8 -14.7 49.2 27.1 -7.1 32 30 A K T 3 S- 0 0 70 -25,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.421 114.5-114.6 -90.0 0.4 47.9 29.9 -4.9 33 31 A G S < S+ 0 0 64 -3,-1.8 2,-0.6 1,-0.3 -2,-0.1 0.623 77.9 129.4 71.8 11.4 49.8 28.6 -1.8 34 32 A I - 0 0 46 2,-0.0 2,-0.3 72,-0.0 -1,-0.3 -0.891 39.2-170.1 -97.2 121.2 46.4 27.9 -0.2 35 33 A S - 0 0 37 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.830 6.1-154.5-111.4 151.2 46.2 24.4 1.2 36 34 A G E -D 28 0B 0 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.3 -0.902 4.3-144.8-122.6 154.4 43.2 22.5 2.5 37 35 A L E -D 27 0B 13 -2,-0.3 2,-0.3 60,-0.2 64,-0.2 -0.891 16.3-177.6-114.7 149.5 42.9 19.6 5.0 38 36 A G E -D 26 0B 0 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.5 -0.967 24.9-119.5-142.1 159.4 40.4 16.8 5.0 39 37 A C E +D 25 0B 1 -2,-0.3 -14,-0.2 54,-0.3 58,-0.2 -0.873 31.3 161.6-103.9 126.0 39.4 13.8 7.1 40 38 A S + 0 0 0 -16,-2.8 2,-0.7 -2,-0.5 -15,-0.2 -0.122 24.6 158.1-123.0 29.9 39.6 10.3 5.7 41 39 A T + 0 0 2 -17,-0.2 2,-0.5 49,-0.1 243,-0.1 -0.480 11.7 153.3 -76.1 108.9 39.7 8.6 9.0 42 40 A F > - 0 0 34 -2,-0.7 3,-1.7 1,-0.1 7,-0.2 -0.914 28.9-161.8-125.4 94.8 38.6 4.9 8.8 43 41 A Q T 3 S+ 0 0 22 -2,-0.5 -21,-0.3 1,-0.3 -1,-0.1 0.698 80.6 54.1 -65.0 -22.3 40.5 3.7 11.9 44 42 A F T 3 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 340,-0.1 0.646 121.1 25.9 -84.4 -17.7 40.3 -0.0 11.0 45 43 A R S X> S+ 0 0 126 -3,-1.7 4,-1.9 -23,-0.1 3,-0.6 -0.196 70.1 143.7-139.5 45.8 41.8 0.2 7.5 46 44 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.866 73.5 53.9 -61.7 -36.9 44.0 3.4 7.4 47 45 A L H 3> S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 107.6 51.6 -65.5 -31.3 46.7 1.9 5.1 48 46 A A H <> S+ 0 0 37 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.900 109.0 49.5 -72.7 -38.8 44.0 1.0 2.5 49 47 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 110.0 51.9 -62.5 -44.3 42.6 4.5 2.5 50 48 A K H X S+ 0 0 61 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.923 106.1 54.7 -58.9 -43.8 46.1 5.9 2.1 51 49 A T H X S+ 0 0 73 -4,-2.1 4,-2.6 1,-0.2 5,-0.5 0.929 108.8 48.5 -53.9 -46.1 46.7 3.5 -0.9 52 50 A V H X>S+ 0 0 34 -4,-1.9 5,-2.4 1,-0.2 4,-1.7 0.943 114.2 44.7 -63.0 -46.5 43.5 4.9 -2.6 53 51 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 3,-0.2 -2,-0.2 0.951 120.9 38.2 -61.9 -47.5 44.5 8.6 -2.0 54 52 A D H <5S+ 0 0 53 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 125.3 33.2 -75.9 -39.7 48.1 8.2 -3.1 55 53 A E H <5S+ 0 0 129 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.717 134.7 14.2 -91.5 -23.1 47.9 5.7 -6.0 56 54 A Y T X5S+ 0 0 150 -4,-1.7 4,-1.3 -5,-0.5 -3,-0.2 0.760 123.2 43.6-124.1 -49.7 44.5 6.7 -7.5 57 55 A L H >< S+ 0 0 0 -4,-2.3 3,-2.4 -3,-0.3 -53,-0.3 0.709 82.5 116.1 -91.9 -23.4 43.2 15.3 -9.3 62 60 A M T 3< S+ 0 0 72 -4,-2.2 -53,-0.2 1,-0.3 3,-0.1 -0.219 87.9 10.3 -54.6 130.4 46.5 16.8 -10.2 63 61 A G T 3 S+ 0 0 47 -55,-2.5 -1,-0.3 1,-0.3 -54,-0.1 0.310 95.9 131.5 88.3 -11.0 46.1 19.9 -12.3 64 62 A R < - 0 0 87 -3,-2.4 -56,-2.6 -57,-0.1 2,-0.9 -0.344 67.7-102.5 -75.6 158.9 42.3 20.2 -11.8 65 63 A D B > -A 7 0A 39 -58,-0.2 3,-1.9 1,-0.1 -58,-0.2 -0.734 26.4-159.8 -83.8 103.2 40.6 23.4 -10.8 66 64 A A T 3 S+ 0 0 1 -60,-3.2 -1,-0.1 -2,-0.9 37,-0.1 0.609 81.8 77.6 -57.2 -19.0 39.8 23.1 -7.1 67 65 A N T 3 S+ 0 0 13 -61,-0.3 2,-1.7 1,-0.2 -1,-0.3 0.821 80.6 71.4 -61.1 -30.0 37.1 25.8 -7.3 68 66 A E <> + 0 0 104 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 -0.488 57.4 156.8 -91.9 70.8 34.8 23.3 -8.9 69 67 A I H > S+ 0 0 6 -2,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.907 70.0 52.7 -61.6 -45.3 34.1 21.3 -5.8 70 68 A E H > S+ 0 0 89 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.955 112.5 43.3 -59.3 -51.5 30.7 19.9 -7.0 71 69 A D H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.933 113.7 51.3 -61.4 -44.9 32.1 18.6 -10.3 72 70 A I H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.911 109.5 51.1 -60.3 -39.5 35.2 17.2 -8.7 73 71 A W H X S+ 0 0 23 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.945 110.3 48.6 -61.0 -48.4 33.1 15.4 -6.1 74 72 A Q H X S+ 0 0 83 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.920 112.7 48.9 -59.7 -44.2 30.9 13.9 -8.9 75 73 A V H X S+ 0 0 32 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.952 114.1 44.6 -57.9 -52.0 34.1 12.8 -10.8 76 74 A M H >< S+ 0 0 5 -4,-2.9 3,-0.9 1,-0.2 4,-0.4 0.905 105.6 62.5 -60.3 -42.7 35.6 11.2 -7.7 77 75 A N H 3< S+ 0 0 24 -4,-2.9 7,-0.4 1,-0.3 -1,-0.2 0.849 118.0 24.8 -56.0 -39.6 32.4 9.4 -6.6 78 76 A V H >< S+ 0 0 68 -4,-1.3 3,-2.4 -3,-0.4 -1,-0.3 0.315 89.2 111.0-107.4 8.0 32.1 7.3 -9.8 79 77 A N T << S+ 0 0 80 -3,-0.9 -1,-0.1 -4,-0.7 -2,-0.1 0.791 81.1 43.8 -60.6 -32.1 35.8 7.2 -10.8 80 78 A S T 3 S- 0 0 68 -4,-0.4 2,-2.1 2,-0.3 -1,-0.3 0.232 102.7-131.0 -94.8 16.8 36.4 3.5 -10.0 81 79 A Y S < S+ 0 0 160 -3,-2.4 -1,-0.2 0, 0.0 2,-0.1 -0.485 94.7 67.3 66.9 -76.4 33.0 2.5 -11.6 82 80 A W S S+ 0 0 202 -2,-2.1 -2,-0.3 -3,-0.1 2,-0.2 -0.446 80.9 168.7 -62.8 146.0 32.1 0.4 -8.6 83 81 A R + 0 0 122 -2,-0.1 -5,-0.1 -4,-0.1 -6,-0.1 -0.795 21.5 59.8-153.9-171.2 31.6 2.9 -5.8 84 82 A N + 0 0 34 -7,-0.4 4,-0.3 -2,-0.2 179,-0.2 -0.059 57.1 114.4 62.8-173.3 30.3 3.6 -2.3 85 83 A G S > S- 0 0 15 177,-2.1 4,-2.4 200,-0.2 5,-0.2 -0.077 75.9 -82.2 95.4 159.5 31.9 1.8 0.6 86 84 A P H > S+ 0 0 43 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.859 123.4 40.0 -73.9 -38.4 34.0 2.7 3.6 87 85 A I H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.962 118.3 47.6 -75.8 -49.5 37.5 2.8 2.0 88 86 A T H > S+ 0 0 43 -4,-0.3 4,-1.8 1,-0.2 5,-0.1 0.925 116.3 43.4 -50.1 -53.0 36.3 4.4 -1.3 89 87 A N H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.848 108.7 55.5 -73.9 -34.4 34.3 7.1 0.5 90 88 A N H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.901 108.1 50.1 -62.6 -39.6 36.8 8.0 3.1 91 89 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.943 113.0 46.1 -62.0 -47.3 39.4 8.7 0.5 92 90 A I H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.895 108.0 58.5 -59.5 -42.8 37.0 10.9 -1.4 93 91 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 191,-0.4 5,-0.3 0.887 99.8 55.9 -57.1 -44.6 36.0 12.7 1.8 94 92 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 -56,-0.2 -1,-0.2 0.916 112.6 42.4 -59.1 -42.8 39.5 13.9 2.6 95 93 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.953 113.7 50.6 -65.3 -51.0 39.7 15.6 -0.8 96 94 A D H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.927 112.3 47.0 -56.2 -47.2 36.2 17.0 -0.7 97 95 A M H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -60,-0.2 0.925 110.6 52.9 -61.7 -41.8 36.8 18.5 2.8 98 96 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.882 107.3 51.6 -62.9 -38.9 40.1 20.0 1.7 99 97 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.893 110.0 48.8 -65.1 -38.9 38.5 21.7 -1.3 100 98 A W H X S+ 0 0 38 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.890 109.3 53.6 -64.3 -38.3 35.9 23.3 1.0 101 99 A D H X S+ 0 0 6 -4,-2.4 4,-2.3 -64,-0.2 -2,-0.2 0.949 110.1 47.5 -58.7 -49.4 38.7 24.4 3.3 102 100 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.931 110.9 50.8 -58.0 -45.5 40.4 26.0 0.3 103 101 A K H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.915 109.7 50.3 -63.3 -42.2 37.2 27.7 -0.8 104 102 A G H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.8 0.913 111.0 49.3 -59.9 -43.2 36.6 29.1 2.7 105 103 A Q H ><5S+ 0 0 56 -4,-2.3 3,-0.7 260,-0.2 -2,-0.2 0.922 110.3 49.7 -64.4 -41.1 40.1 30.5 2.8 106 104 A L H 3<5S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.874 115.1 44.6 -63.5 -35.9 39.8 32.1 -0.6 107 105 A A H 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.600 107.0-130.8 -77.8 -12.2 36.5 33.7 0.6 108 106 A D T <<5 + 0 0 131 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.907 68.4 120.3 50.9 48.7 38.1 34.6 3.9 109 107 A M S > -e 366 0C 12 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.379 43.5-105.9 -59.3 153.6 34.8 30.3 8.2 111 109 A L H 3> S+ 0 0 0 255,-2.5 4,-2.2 253,-0.3 6,-0.2 0.884 119.6 55.7 -52.1 -44.5 33.1 27.3 6.6 112 110 A Y H 34>S+ 0 0 8 250,-0.3 5,-2.1 254,-0.3 4,-0.3 0.841 111.0 46.3 -62.2 -31.2 29.8 27.8 8.4 113 111 A Q H X45S+ 0 0 82 -3,-1.0 3,-1.3 3,-0.2 -1,-0.2 0.890 108.5 53.8 -74.5 -41.5 29.6 31.4 7.0 114 112 A L H 3<5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 106.2 55.5 -57.4 -38.2 30.6 30.3 3.5 115 113 A L T 3<5S- 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.597 138.7 -74.4 -73.1 -12.9 27.7 27.8 3.6 116 114 A G T < 5S- 0 0 65 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.2 0.403 74.2 -89.1 131.3 1.3 25.1 30.5 4.4 117 115 A G < - 0 0 9 -5,-2.1 -4,-0.1 -6,-0.2 2,-0.1 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A W - 0 0 1 -2,-0.1 28,-0.5 26,-0.1 2,-0.3 -0.165 26.3-103.4 -57.6 142.4 26.6 13.4 12.7 309 307 A H + 0 0 18 -28,-2.0 -26,-0.3 -29,-0.4 -1,-0.1 -0.475 46.5 171.4 -67.7 121.4 28.7 10.5 14.1 310 308 A T + 0 0 4 -2,-0.3 4,-0.1 -3,-0.1 28,-0.1 -0.622 13.1 160.5-136.6 71.4 31.6 12.2 16.0 311 309 A P - 0 0 13 0, 0.0 3,-0.2 0, 0.0 27,-0.2 -0.180 58.0 -91.6 -86.4-176.9 33.4 9.5 17.9 312 310 A S S S+ 0 0 57 1,-0.2 2,-1.3 25,-0.1 -291,-0.1 0.801 117.9 70.1 -65.2 -29.7 36.9 9.4 19.4 313 311 A D S S+ 0 0 30 -293,-0.1 2,-0.3 -272,-0.0 -270,-0.3 -0.516 78.3 97.2 -88.5 63.2 38.2 7.9 16.1 314 312 A I S S- 0 0 17 -2,-1.3 -293,-0.1 -3,-0.2 -291,-0.0 -0.957 74.9-116.1-141.1 148.2 37.7 11.0 14.1 315 313 A S > - 0 0 0 -2,-0.3 4,-2.3 -291,-0.2 5,-0.2 -0.468 28.8-109.4 -81.9 160.9 40.5 13.5 13.3 316 314 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.803 121.6 59.9 -60.4 -24.2 40.3 17.1 14.5 317 315 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -278,-0.2 0.942 107.6 44.0 -65.4 -46.2 39.7 18.1 10.9 318 316 A G H > S+ 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