==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-MAR-11 3R4E . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,D.WICHELECKI,J.A.GERLT,S.C.ALMO . 1543 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1073 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 7.4 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 83 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 461 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.6 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 5 12 8 0 0 0 4 8 1 8 4 0 0 0 0 3 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 16 10 4 0 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 PARALLEL BRIDGES PER LADDER . 5 7 1 3 4 0 0 4 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 . 0 12 0 0 0 0 0 4 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 -8 A S 0 0 86 0, 0.0 108,-0.2 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -11.0 5.9 37.6 12.6 2 -7 A G - 0 0 31 107,-0.4 2,-0.2 106,-0.2 35,-0.1 0.460 360.0-130.6 111.1 114.1 9.5 38.6 13.2 3 -6 A L - 0 0 86 107,-0.1 1266,-0.0 1,-0.0 1265,-0.0 -0.579 27.4-114.8 -84.3 152.0 12.0 40.3 11.0 4 -5 A V - 0 0 25 -2,-0.2 3,-0.1 4,-0.1 4,-0.1 -0.761 43.3 -99.5 -84.2 132.5 15.5 38.9 10.6 5 -4 A P > - 0 0 88 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.197 48.4 -89.3 -51.4 139.9 18.2 41.2 12.1 6 -3 A R T 3 S+ 0 0 173 1,-0.3 3,-0.1 -3,-0.0 1509,-0.0 -0.270 117.8 22.8 -49.3 131.1 20.0 43.4 9.5 7 -2 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.254 100.3 113.0 94.1 -12.0 22.9 41.4 8.3 8 -1 A S < - 0 0 58 -3,-2.7 -1,-0.3 -4,-0.1 2,-0.2 -0.582 60.8-124.9 -95.9 157.7 21.5 38.0 9.2 9 0 A H - 0 0 148 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.585 12.5-154.4-101.2 160.8 20.5 35.3 6.7 10 1 A M - 0 0 3 -2,-0.2 2,-0.4 56,-0.1 60,-0.2 -0.996 14.0-169.4-133.8 138.5 17.2 33.4 6.4 11 2 A K - 0 0 101 -2,-0.4 23,-2.1 57,-0.2 2,-0.5 -0.970 27.4-119.0-132.0 144.8 16.9 29.9 4.9 12 3 A I E -A 33 0A 3 55,-2.2 54,-2.7 52,-0.4 21,-0.3 -0.701 28.1-178.4 -72.8 128.0 14.1 27.6 3.8 13 4 A T E + 0 0 68 19,-2.4 2,-0.3 -2,-0.5 20,-0.2 0.732 63.7 8.9-102.4 -28.5 14.4 24.5 5.9 14 5 A A E -A 32 0A 20 18,-1.4 18,-2.7 50,-0.1 2,-0.3 -0.995 45.9-166.2-153.1 146.8 11.6 22.4 4.4 15 6 A A E -A 31 0A 12 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.804 29.5-177.6-133.5 92.4 9.2 22.5 1.4 16 7 A R E -A 30 0A 86 14,-2.5 14,-3.0 -2,-0.3 2,-0.5 -0.731 20.8-143.6-101.8 140.1 6.5 19.9 2.1 17 8 A V E -A 29 0A 18 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.849 15.6-166.9-100.4 132.4 3.6 18.7 0.0 18 9 A I E -A 28 0A 19 10,-3.1 10,-2.6 -2,-0.5 2,-0.4 -0.975 1.8-162.1-120.6 130.9 0.3 17.9 1.8 19 10 A I E +A 27 0A 59 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.950 17.3 162.3-115.8 132.2 -2.5 16.0 0.1 20 11 A T E -A 26 0A 0 6,-2.0 6,-2.7 -2,-0.4 352,-0.1 -0.992 27.5-157.9-148.8 149.7 -6.1 16.0 1.4 21 12 A C + 0 0 22 353,-1.9 2,-1.7 350,-0.4 4,-0.2 -0.526 23.8 159.7-130.2 67.0 -9.6 15.3 0.1 22 13 A P S S- 0 0 1 0, 0.0 317,-0.4 0, 0.0 314,-0.2 -0.466 95.0 -29.4 -86.4 65.6 -12.2 17.0 2.2 23 14 A G S S+ 0 0 62 -2,-1.7 2,-0.3 315,-0.1 -2,-0.1 -0.173 143.7 9.9 113.3 -37.2 -14.9 16.9 -0.4 24 15 A R S S- 0 0 44 283,-0.1 2,-0.2 -4,-0.0 -4,-0.1 -0.954 97.1 -73.5-161.7 165.0 -12.4 16.9 -3.3 25 16 A N + 0 0 3 -2,-0.3 2,-0.4 352,-0.2 -4,-0.2 -0.419 45.1 177.6 -69.9 134.3 -8.6 16.7 -3.8 26 17 A F E -A 20 0A 0 -6,-2.7 -6,-2.0 -2,-0.2 2,-0.5 -1.000 14.4-156.7-134.9 140.1 -6.3 19.5 -2.8 27 18 A V E -A 19 0A 0 -2,-0.4 16,-2.8 -8,-0.2 17,-0.6 -0.952 15.2-175.4-116.7 130.7 -2.5 19.8 -3.0 28 19 A T E -AB 18 42A 0 -10,-2.6 -10,-3.1 -2,-0.5 2,-0.5 -0.972 16.2-151.1-130.0 137.9 -0.7 22.2 -0.7 29 20 A L E -AB 17 41A 1 12,-2.7 12,-2.1 -2,-0.4 2,-0.5 -0.919 11.1-163.6-104.4 133.5 2.9 23.2 -0.4 30 21 A K E -AB 16 40A 20 -14,-3.0 -14,-2.5 -2,-0.5 2,-0.6 -0.975 2.2-160.9-119.7 118.8 4.2 24.4 2.9 31 22 A I E -AB 15 39A 0 8,-2.7 8,-1.9 -2,-0.5 2,-0.3 -0.893 10.3-166.6-100.3 116.7 7.5 26.2 3.0 32 23 A E E -AB 14 38A 54 -18,-2.7 -19,-2.4 -2,-0.6 -18,-1.4 -0.741 3.5-156.2-104.1 151.5 9.1 26.3 6.5 33 24 A T E > -A 12 0A 10 4,-0.9 3,-0.7 -2,-0.3 -21,-0.2 -0.804 30.6-116.3-127.1 164.9 12.0 28.6 7.5 34 25 A D T 3 S+ 0 0 83 -23,-2.1 -22,-0.1 -2,-0.3 -1,-0.0 0.490 114.4 61.2 -78.5 -1.8 14.8 28.7 10.0 35 26 A Q T 3 S- 0 0 66 -24,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.688 115.8-113.6 -91.0 -23.2 13.2 31.8 11.5 36 27 A G S < S+ 0 0 55 -3,-0.7 -2,-0.1 1,-0.5 -34,-0.1 -0.092 79.2 115.4 115.3 -34.1 10.0 29.9 12.3 37 28 A V - 0 0 8 -35,-0.1 -4,-0.9 -36,-0.1 -1,-0.5 -0.379 44.0-170.8 -68.6 146.0 7.6 31.6 10.0 38 29 A Y E -B 32 0A 65 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.874 10.6-155.0-130.6 169.7 6.0 29.5 7.2 39 30 A G E -B 31 0A 0 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.3 -0.971 6.3-151.8-139.6 154.3 3.9 30.0 4.1 40 31 A I E -B 30 0A 0 -2,-0.3 2,-0.3 60,-0.3 -10,-0.2 -0.952 9.4-174.1-129.7 154.1 1.6 27.9 2.1 41 32 A G E -B 29 0A 0 -12,-2.1 -12,-2.7 -2,-0.3 2,-0.2 -0.995 27.3-111.8-144.8 149.7 0.5 27.7 -1.5 42 33 A D E +B 28 0A 0 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.2 -0.571 30.0 169.0 -80.9 141.2 -2.1 25.9 -3.6 43 34 A A + 0 0 0 -16,-2.8 2,-0.2 -2,-0.2 -15,-0.2 0.174 26.2 144.2-131.2 11.4 -0.7 23.4 -6.2 44 35 A T - 0 0 0 -17,-0.6 2,-0.5 49,-0.1 -2,-0.1 -0.359 24.6-178.0 -68.0 122.6 -4.0 21.7 -7.1 45 36 A L > - 0 0 1 -2,-0.2 3,-2.4 264,-0.0 6,-0.2 -0.906 32.6-124.2-118.4 101.3 -4.4 20.6 -10.7 46 37 A N T 3 S+ 0 0 13 -2,-0.5 425,-0.2 1,-0.3 335,-0.2 -0.154 88.6 1.9 -53.6 119.1 -7.9 19.1 -11.1 47 38 A G T 3 S+ 0 0 2 332,-0.2 -1,-0.3 333,-0.1 -3,-0.0 0.370 133.0 55.5 88.7 -5.2 -7.7 15.6 -12.5 48 39 A R X> + 0 0 13 -3,-2.4 3,-1.1 332,-0.1 4,-0.7 -0.061 65.9 137.9-142.5 32.9 -4.0 15.4 -12.7 49 40 A E H >> + 0 0 1 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.815 64.1 55.3 -58.3 -41.0 -3.1 16.2 -9.1 50 41 A L H 3> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.717 95.2 66.4 -75.3 -18.4 -0.4 13.8 -8.4 51 42 A S H <> S+ 0 0 0 -3,-1.1 4,-2.0 389,-0.2 -1,-0.3 0.875 105.8 44.7 -65.4 -34.6 1.8 14.9 -11.3 52 43 A V H S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 5,-0.6 0.892 109.9 56.8 -69.2 -41.7 5.8 14.6 -7.9 55 46 A Y H X>S+ 0 0 1 -4,-2.0 5,-2.2 -5,-0.2 4,-0.8 0.941 119.0 34.0 -52.8 -47.7 7.0 17.7 -9.7 56 47 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 3,-0.2 -2,-0.2 0.964 122.8 41.5 -73.6 -57.6 7.3 19.5 -6.3 57 48 A Q H <5S+ 0 0 92 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.920 124.7 33.3 -59.6 -47.8 8.3 16.6 -4.0 58 49 A E H <5S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.702 135.7 10.8 -87.2 -20.4 10.8 14.9 -6.2 59 50 A H T X>> - 0 0 39 -57,-0.2 3,-2.4 1,-0.2 -57,-0.2 -0.725 26.4-157.7 -81.7 105.1 16.5 32.7 1.0 69 60 A P T 3 S+ 0 0 1 0, 0.0 37,-0.2 0, 0.0 -1,-0.2 0.636 86.6 70.3 -63.5 -15.4 12.7 32.7 1.0 70 61 A R T 3 S+ 0 0 39 1,-0.2 2,-1.8 -60,-0.2 3,-0.3 0.715 78.7 81.4 -72.7 -20.0 12.7 36.5 0.9 71 62 A R <> + 0 0 51 -3,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.494 54.2 158.6 -88.7 70.0 13.9 36.4 -2.7 72 63 A I H > S+ 0 0 1 -2,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.925 70.9 45.8 -61.2 -49.5 10.5 35.8 -4.3 73 64 A E H > S+ 0 0 10 1203,-2.7 4,-2.5 -3,-0.3 -1,-0.2 0.890 113.3 49.5 -62.3 -42.7 11.4 37.0 -7.8 74 65 A D H > S+ 0 0 5 1202,-0.4 4,-2.2 1204,-0.3 -1,-0.2 0.892 112.4 47.1 -66.5 -39.7 14.7 35.1 -7.9 75 66 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.901 110.9 52.6 -69.1 -38.0 13.1 31.9 -6.8 76 67 A W H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.949 113.1 43.7 -58.8 -48.6 10.3 32.4 -9.4 77 68 A Q H X>S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 5,-0.7 0.845 112.0 55.3 -66.1 -33.9 12.9 32.9 -12.1 78 69 A Y H X5S+ 0 0 19 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.947 114.2 37.7 -63.8 -49.4 14.9 30.0 -10.8 79 70 A V H X5S+ 0 0 2 -4,-2.7 4,-0.8 3,-0.2 -2,-0.2 0.880 121.8 45.6 -71.3 -38.8 12.0 27.5 -11.0 80 71 A Y H <5S+ 0 0 8 -4,-2.6 4,-0.3 -5,-0.3 3,-0.2 0.976 126.2 26.6 -69.8 -59.3 10.7 29.0 -14.2 81 72 A R H ><5S+ 0 0 37 -4,-2.4 3,-1.9 -5,-0.2 -3,-0.2 0.903 118.3 59.5 -68.6 -43.6 13.9 29.3 -16.2 82 73 A G H 3< - 0 0 2 386,-0.2 4,-2.7 3,-0.1 5,-0.3 -0.015 68.3 -83.5 107.7 154.0 2.7 24.1 -18.9 89 80 A P H > S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.900 125.4 38.7 -56.9 -49.0 -0.1 23.1 -16.5 90 81 A V H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.965 117.9 48.8 -70.6 -53.0 2.0 21.0 -14.2 91 82 A T H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.913 114.1 44.8 -48.9 -52.4 5.1 23.2 -14.3 92 83 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 190,-0.4 0.799 107.3 58.0 -75.5 -26.8 3.2 26.4 -13.5 93 84 A R H X S+ 0 0 4 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.908 109.1 47.1 -62.6 -40.7 1.1 24.9 -10.8 94 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.950 113.6 46.8 -66.2 -48.4 4.4 24.0 -9.0 95 86 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.903 111.4 52.6 -57.6 -42.1 5.7 27.5 -9.5 96 87 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 183,-0.3 5,-0.2 0.873 106.9 51.9 -63.4 -39.0 2.4 29.0 -8.3 97 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 112.2 46.0 -64.5 -43.1 2.5 27.0 -5.1 98 89 A V H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 113.8 49.3 -64.5 -45.3 6.0 28.2 -4.4 99 90 A D H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.905 110.7 48.2 -64.1 -44.6 5.1 31.8 -5.2 100 91 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -60,-0.3 0.924 112.0 50.5 -60.8 -44.7 2.0 31.9 -3.1 101 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.900 111.8 47.5 -61.0 -41.7 3.9 30.4 -0.1 102 93 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.888 111.9 48.3 -69.2 -40.1 6.7 32.9 -0.5 103 94 A W H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.842 109.1 55.7 -66.9 -32.5 4.3 35.9 -0.7 104 95 A D H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.948 109.4 46.5 -59.3 -49.9 2.5 34.4 2.4 105 96 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.909 111.5 50.6 -60.4 -45.0 5.9 34.5 4.2 106 97 A K H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 111.4 47.2 -65.6 -39.1 6.7 38.1 3.1 107 98 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.7 0.906 113.0 49.4 -69.3 -40.5 3.3 39.5 4.2 108 99 A K H ><5S+ 0 0 30 -4,-2.3 3,-1.2 252,-0.2 -106,-0.2 0.958 112.8 47.0 -59.0 -50.0 3.6 37.7 7.6 109 100 A M H 3<5S+ 0 0 10 -4,-2.8 -107,-0.4 1,-0.3 -2,-0.2 0.855 112.9 49.4 -61.6 -34.3 7.1 39.1 8.1 110 101 A A H 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.592 108.7-128.0 -79.7 -10.6 5.8 42.5 7.1 111 102 A G T <<5S+ 0 0 44 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.801 70.7 114.5 67.2 31.3 2.9 42.2 9.5 112 103 A M S > -c 361 0B 11 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.539 47.9-107.4 -65.7 144.0 -2.3 41.4 4.8 114 105 A L H >> S+ 0 0 0 247,-2.4 4,-1.3 245,-0.4 3,-1.2 0.803 113.9 65.5 -48.3 -41.6 -1.0 40.6 1.3 115 106 A Y H 3>>S+ 0 0 4 1,-0.3 5,-2.6 2,-0.2 4,-0.9 0.805 95.0 60.6 -57.5 -27.4 -2.9 43.3 -0.6 116 107 A Q H <45S+ 0 0 8 -3,-2.0 3,-0.3 3,-0.2 -1,-0.3 0.874 103.3 49.3 -65.2 -38.0 -0.9 45.9 1.2 117 108 A L H <<5S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.797 106.4 56.7 -70.8 -30.0 2.4 44.6 -0.2 118 109 A L H <5S- 0 0 5 -4,-1.3 -1,-0.2 201,-0.1 -2,-0.2 0.706 140.1 -71.7 -74.8 -20.4 0.9 44.6 -3.7 119 110 A G T <5S- 0 0 0 -4,-0.9 1111,-2.8 -3,-0.3 1112,-0.4 0.405 75.3 -90.5 140.8 6.3 0.1 48.3 -3.5 120 111 A G < - 0 0 0 -5,-2.6 1108,-0.2 1108,-0.2 2,-0.2 -0.097 66.4 -32.1 88.1 175.9 -2.8 48.5 -1.1 121 112 A R + 0 0 38 1,-0.1 1110,-0.4 1109,-0.1 202,-0.2 -0.420 38.4 174.6 -79.9 140.7 -6.6 48.5 -1.5 122 113 A S S S+ 0 0 4 200,-3.2 1040,-0.3 1,-0.2 2,-0.3 0.513 74.3 12.7-109.3 -16.7 -8.3 49.8 -4.6 123 114 A R - 0 0 0 199,-1.0 -1,-0.2 1,-0.2 1037,-0.2 -0.941 62.8-132.2-154.3 168.0 -11.8 48.7 -3.6 124 115 A D S S+ 0 0 91 1035,-2.2 232,-0.4 -2,-0.3 -1,-0.2 0.893 84.3 25.8 -92.1 -77.6 -13.8 47.4 -0.7 125 116 A G S S- 0 0 2 1034,-0.2 2,-0.6 230,-0.1 -1,-0.2 -0.467 73.9-128.4 -87.4 162.0 -15.8 44.4 -1.7 126 117 A I E -D 354 0C 0 228,-2.7 228,-2.3 -2,-0.1 2,-0.1 -0.936 22.8-131.3-114.4 109.5 -15.0 42.0 -4.6 127 118 A M E -D 353 0C 27 -2,-0.6 203,-2.0 226,-0.2 2,-0.3 -0.372 31.7-174.3 -62.2 133.1 -17.9 41.4 -7.0 128 119 A V E -f 330 0D 0 224,-1.6 26,-0.6 201,-0.2 2,-0.4 -0.757 18.7-141.2-119.5 166.7 -18.5 37.8 -7.7 129 120 A Y E -fg 331 154D 0 201,-1.2 203,-1.7 -2,-0.3 26,-0.2 -0.974 15.1-153.3-123.7 149.3 -20.7 35.7 -9.9 130 121 A G E - 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0 0 14 -3,-2.1 21,-0.4 1,-0.1 3,-0.1 -0.481 42.6-175.0 -75.8 153.5 -3.8 29.5 -19.4 257 265 A N + 0 0 6 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.499 61.8 26.1-128.6 -9.0 -0.6 29.1 -17.4 258 266 A T S > S- 0 0 0 1,-0.1 3,-1.9 -171,-0.0 4,-0.3 -0.977 78.5-107.1-145.5 168.3 1.6 32.0 -18.6 259 267 A I G >> S+ 0 0 2 -2,-0.3 4,-1.7 1,-0.3 3,-1.7 0.769 113.9 71.8 -61.8 -24.1 1.4 35.4 -20.1 260 268 A W G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.696 90.8 58.1 -69.0 -19.2 2.6 33.8 -23.4 261 269 A D G <4 S+ 0 0 10 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.593 120.1 27.3 -77.4 -15.3 -0.8 32.1 -23.7 262 270 A A T <> S+ 0 0 1 -3,-1.7 4,-2.4 -4,-0.3 5,-0.3 0.530 85.6 100.7-128.9 -9.3 -2.5 35.5 -23.7 263 271 A K H X S+ 0 0 5 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.854 92.9 38.8 -56.4 -39.8 -0.1 38.2 -25.0 264 272 A D H > S+ 0 0 29 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 111.7 56.1 -81.1 -38.1 -1.7 38.3 -28.5 265 273 A L H 4>S+ 0 0 0 2,-0.2 5,-2.9 1,-0.2 6,-0.7 0.878 117.5 39.0 -54.0 -38.5 -5.3 37.9 -27.4 266 274 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.960 117.2 44.4 -78.9 -53.0 -4.6 41.0 -25.2 267 275 A Q H 3<5S+ 0 0 16 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.814 114.3 50.6 -67.5 -29.0 -2.5 43.2 -27.5 268 276 A N T 3<5S- 0 0 87 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.355 112.9-122.9 -86.1 5.0 -4.7 42.5 -30.5 269 277 A Q T < 5 + 0 0 4 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.926 65.2 140.4 53.3 55.6 -7.7 43.5 -28.3 270 278 A L < + 0 0 11 -5,-2.9 2,-0.3 -6,-0.2 -4,-0.2 0.481 59.0 43.8-102.0 -7.3 -9.6 40.2 -28.8 271 279 A I - 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