==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-JUL-07 2QJN . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.F.RAKUS,J.E.VICK,J.A.GERLT,S.C.ALM . 1539 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1098 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 7.3 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 . 94 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 463 30.1 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 4 12 8 0 0 0 4 8 0 8 4 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 16 8 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 . 3 9 0 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 1 A M 0 0 55 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 134.5 -17.4 49.5 90.1 2 2 A K - 0 0 120 57,-0.2 23,-2.1 58,-0.1 2,-0.5 -0.961 360.0-114.6-137.4 152.7 -16.9 52.9 88.5 3 3 A I E +A 24 0A 3 55,-1.9 54,-2.8 52,-0.4 21,-0.3 -0.701 29.2 179.9 -80.5 127.6 -14.2 55.3 87.3 4 4 A T E + 0 0 69 19,-2.6 2,-0.3 -2,-0.5 20,-0.2 0.669 64.3 7.7-103.4 -23.0 -14.5 58.4 89.5 5 5 A A E -A 23 0A 20 18,-1.4 18,-3.1 50,-0.1 2,-0.4 -0.984 45.5-166.3-160.0 148.1 -11.6 60.4 88.0 6 6 A A E -A 22 0A 14 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.841 29.2-175.4-136.9 92.3 -9.2 60.3 85.1 7 7 A R E -A 21 0A 83 14,-2.7 14,-2.9 -2,-0.4 2,-0.5 -0.750 20.1-142.6-101.9 142.4 -6.5 62.9 85.8 8 8 A V E -A 20 0A 19 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.859 16.8-167.1-101.7 127.2 -3.6 64.0 83.6 9 9 A I E -A 19 0A 18 10,-3.1 10,-2.8 -2,-0.5 2,-0.4 -0.959 0.8-163.8-117.4 129.9 -0.4 64.8 85.4 10 10 A I E +A 18 0A 57 -2,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.931 16.8 159.9-115.1 135.6 2.5 66.6 83.7 11 11 A T E -A 17 0A 0 6,-2.0 6,-2.2 -2,-0.4 353,-0.1 -0.992 28.7-154.9-152.6 149.9 6.1 66.7 85.0 12 12 A C + 0 0 21 354,-2.3 2,-1.8 351,-0.4 4,-0.2 -0.552 23.3 162.0-127.8 68.3 9.5 67.4 83.6 13 13 A P S S- 0 0 1 0, 0.0 318,-0.5 0, 0.0 315,-0.2 -0.406 94.2 -29.8 -85.0 63.1 12.2 65.6 85.8 14 14 A G S S+ 0 0 61 -2,-1.8 2,-0.3 316,-0.1 -2,-0.1 -0.061 143.7 8.6 116.7 -30.6 14.9 65.8 83.2 15 15 A R S S- 0 0 45 284,-0.0 2,-0.1 -4,-0.0 -4,-0.0 -0.941 98.2 -71.0-168.1 164.4 12.5 65.8 80.3 16 16 A N + 0 0 2 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.421 45.0 176.0 -72.9 140.7 8.7 66.0 79.8 17 17 A F E -A 11 0A 0 -6,-2.2 -6,-2.0 -2,-0.1 2,-0.5 -0.997 14.5-157.5-142.8 137.7 6.4 63.2 80.8 18 18 A V E -A 10 0A 0 -2,-0.3 16,-2.7 -8,-0.2 17,-0.5 -0.976 14.5-174.1-119.6 128.8 2.6 63.0 80.7 19 19 A T E -AB 9 33A 0 -10,-2.8 -10,-3.1 -2,-0.5 2,-0.5 -0.955 15.6-148.0-126.1 142.8 0.7 60.5 82.9 20 20 A L E -AB 8 32A 2 12,-2.9 12,-2.1 -2,-0.4 2,-0.5 -0.909 11.5-164.0-107.3 133.5 -2.9 59.5 83.2 21 21 A K E -AB 7 31A 18 -14,-2.9 -14,-2.7 -2,-0.5 2,-0.6 -0.971 1.3-163.5-120.6 117.5 -4.3 58.4 86.5 22 22 A I E -AB 6 30A 0 8,-2.9 8,-2.0 -2,-0.5 2,-0.3 -0.899 9.3-167.2-103.6 119.7 -7.6 56.6 86.6 23 23 A E E -AB 5 29A 54 -18,-3.1 -19,-2.6 -2,-0.6 -18,-1.4 -0.768 2.3-156.5-105.6 151.3 -9.3 56.5 90.0 24 24 A T E -A 3 0A 9 4,-1.1 3,-0.5 -2,-0.3 -21,-0.2 -0.803 30.2-116.6-124.4 165.6 -12.2 54.3 91.1 25 25 A D S S+ 0 0 90 -23,-2.1 -22,-0.1 -2,-0.3 -1,-0.1 0.651 114.4 61.7 -74.7 -12.9 -14.9 54.3 93.7 26 26 A Q S S- 0 0 126 -24,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.781 116.0-114.0 -80.9 -27.6 -13.5 51.1 95.1 27 27 A G S S+ 0 0 54 1,-0.5 -3,-0.1 -3,-0.5 -2,-0.1 -0.199 78.1 115.9 123.4 -42.1 -10.2 52.9 95.9 28 28 A V - 0 0 27 -5,-0.1 -4,-1.1 68,-0.0 -1,-0.5 -0.219 43.0-172.5 -60.1 149.0 -7.8 51.2 93.6 29 29 A Y E -B 23 0A 68 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.930 10.9-157.1-140.1 164.4 -6.2 53.3 90.8 30 30 A G E -B 22 0A 0 -8,-2.0 -8,-2.9 -2,-0.3 2,-0.3 -0.960 5.5-150.4-140.5 157.7 -4.0 52.8 87.8 31 31 A I E -B 21 0A 0 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.950 9.6-172.8-131.5 152.6 -1.7 55.0 85.8 32 32 A G E -B 20 0A 0 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.3 -0.982 27.0-110.4-143.0 153.7 -0.6 55.0 82.1 33 33 A D E +B 19 0A 0 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.2 -0.621 30.8 168.1 -84.6 141.9 2.0 56.9 80.0 34 34 A A + 0 0 0 -16,-2.7 2,-0.3 -2,-0.3 -15,-0.2 0.110 25.6 144.9-136.8 16.8 0.7 59.4 77.4 35 35 A T - 0 0 0 -17,-0.5 2,-0.5 49,-0.1 -2,-0.1 -0.439 23.6-178.7 -68.4 124.3 4.0 61.1 76.5 36 36 A L > - 0 0 1 -2,-0.3 3,-2.5 265,-0.0 4,-0.2 -0.882 32.7-124.8-124.4 95.1 4.3 62.1 72.9 37 37 A N T 3 S+ 0 0 15 -2,-0.5 426,-0.2 1,-0.3 336,-0.1 -0.105 88.4 2.9 -46.7 120.9 7.8 63.7 72.5 38 38 A G T 3 S+ 0 0 1 333,-0.3 -1,-0.3 334,-0.1 424,-0.0 0.318 133.9 53.5 85.8 -8.2 7.7 67.2 71.1 39 39 A R X> + 0 0 15 -3,-2.5 3,-1.5 333,-0.0 4,-0.7 0.008 65.9 137.5-143.3 25.8 3.9 67.3 71.0 40 40 A E H >> + 0 0 1 1,-0.3 4,-1.4 -4,-0.2 3,-0.8 0.798 65.1 56.0 -45.9 -46.1 3.1 66.4 74.6 41 41 A L H 3> S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.706 94.4 66.4 -68.4 -20.0 0.3 69.0 75.2 42 42 A S H <> S+ 0 0 0 -3,-1.5 4,-2.0 390,-0.2 -1,-0.2 0.873 105.4 44.9 -67.8 -34.1 -1.8 67.9 72.3 43 43 A V H S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 5,-0.7 0.912 111.3 55.5 -65.5 -42.6 -5.8 68.2 75.7 46 46 A Y H X>S+ 0 0 1 -4,-2.0 5,-2.2 3,-0.2 4,-0.8 0.917 119.4 32.5 -56.2 -45.6 -7.1 65.1 73.9 47 47 A L H <>S+ 0 0 1 -4,-2.8 5,-3.2 3,-0.2 -2,-0.2 0.951 123.5 43.3 -76.4 -53.3 -7.4 63.3 77.3 48 48 A Q H <5S+ 0 0 96 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.901 124.2 31.7 -62.7 -46.0 -8.3 66.1 79.6 49 49 A E H <5S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.741 135.5 12.5 -88.4 -23.7 -10.9 67.9 77.4 50 50 A H T X>> - 0 0 40 -57,-0.2 3,-2.3 1,-0.2 -57,-0.2 -0.728 26.2-155.6 -82.9 105.3 -16.7 50.1 84.6 60 60 A P T 3 S+ 0 0 1 0, 0.0 37,-0.2 0, 0.0 -1,-0.2 0.646 88.0 70.4 -56.9 -16.5 -12.8 50.1 84.6 61 61 A R T 3 S+ 0 0 79 1,-0.2 2,-1.7 -60,-0.2 3,-0.3 0.690 78.6 81.4 -75.1 -18.2 -12.9 46.3 84.4 62 62 A R <> + 0 0 52 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.471 53.4 157.5 -88.4 67.5 -14.1 46.5 80.8 63 63 A I H > S+ 0 0 0 -2,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.916 71.3 45.3 -57.8 -49.4 -10.7 47.1 79.3 64 64 A E H > S+ 0 0 3 1206,-2.8 4,-2.5 -3,-0.3 5,-0.2 0.902 113.1 49.8 -63.8 -44.0 -11.6 45.8 75.8 65 65 A D H > S+ 0 0 6 1205,-0.4 4,-2.3 1207,-0.3 -1,-0.2 0.913 112.7 47.0 -62.6 -42.4 -14.9 47.7 75.7 66 66 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.859 110.4 53.0 -68.4 -34.2 -13.3 50.9 76.7 67 67 A W H X S+ 0 0 11 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.962 113.3 43.2 -63.6 -49.7 -10.5 50.4 74.2 68 68 A Q H X>S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 5,-0.8 0.851 112.1 55.8 -62.9 -37.0 -13.1 50.0 71.4 69 69 A Y H X5S+ 0 0 19 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.942 114.1 37.1 -62.3 -50.1 -15.1 52.9 72.7 70 70 A V H X5S+ 0 0 2 -4,-2.5 4,-0.7 3,-0.2 -2,-0.2 0.855 121.3 46.8 -73.2 -34.0 -12.2 55.3 72.6 71 71 A Y H <5S+ 0 0 10 -4,-2.6 4,-0.3 -5,-0.3 -2,-0.2 0.974 126.7 25.0 -71.4 -57.2 -10.8 53.9 69.3 72 72 A R H ><5S+ 0 0 36 -4,-2.6 3,-1.9 -5,-0.2 701,-0.2 0.889 117.6 61.9 -74.4 -42.0 -14.0 53.7 67.3 73 73 A G H 3< - 0 0 1 387,-0.2 4,-2.9 3,-0.1 5,-0.3 0.008 66.1 -92.2 107.6 146.5 -2.9 58.8 64.7 80 80 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.892 125.0 41.9 -59.0 -43.5 0.0 59.5 67.2 81 81 A V H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.1 5,-0.2 0.960 116.9 47.9 -68.6 -51.8 -2.1 61.7 69.4 82 82 A T H > S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 3,-0.2 0.935 115.3 43.2 -53.2 -55.2 -5.2 59.5 69.3 83 83 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 191,-0.4 0.782 107.8 59.4 -67.2 -28.1 -3.3 56.3 70.0 84 84 A R H X S+ 0 0 4 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.914 108.6 45.9 -65.7 -40.8 -1.2 57.8 72.8 85 85 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 112.9 49.0 -66.4 -45.4 -4.4 58.7 74.7 86 86 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.887 110.9 51.4 -61.7 -39.1 -5.9 55.3 74.1 87 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 184,-0.3 5,-0.2 0.873 106.3 53.4 -66.9 -38.0 -2.6 53.7 75.3 88 88 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.898 112.7 44.7 -64.1 -39.9 -2.6 55.8 78.5 89 89 A V H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.943 114.1 49.2 -67.9 -48.0 -6.1 54.6 79.3 90 90 A D H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.903 111.0 49.2 -59.8 -44.6 -5.3 51.0 78.4 91 91 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -60,-0.2 0.923 111.7 49.4 -61.5 -44.6 -2.2 50.9 80.6 92 92 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.888 112.0 48.5 -62.2 -40.9 -4.0 52.4 83.5 93 93 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.888 111.9 47.1 -68.9 -39.9 -6.8 49.9 83.2 94 94 A W H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.863 109.5 55.8 -68.3 -33.0 -4.5 46.9 83.0 95 95 A D H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.935 110.4 45.7 -61.5 -44.9 -2.6 48.3 85.9 96 96 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.917 111.2 50.9 -64.1 -46.6 -6.0 48.2 87.8 97 97 A K H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.875 111.6 47.9 -61.6 -38.5 -6.9 44.7 86.7 98 98 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.9 0.879 111.2 50.5 -70.4 -38.1 -3.6 43.3 87.8 99 99 A K H <5S+ 0 0 57 -4,-1.9 3,-0.4 253,-0.2 -2,-0.2 0.919 111.9 48.4 -64.2 -42.5 -3.8 45.1 91.2 100 100 A M H <5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 111.6 48.8 -66.2 -35.6 -7.3 43.7 91.7 101 101 A A H <5S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.631 109.9-126.1 -78.7 -14.0 -6.1 40.2 90.7 102 102 A G T <5S+ 0 0 50 -4,-0.9 -3,-0.2 -3,-0.4 -2,-0.1 0.842 70.9 111.4 72.4 34.6 -3.2 40.5 93.1 103 103 A M S > -c 353 0B 8 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.438 49.1-107.0 -67.2 150.4 2.1 41.4 88.5 105 105 A L H >> S+ 0 0 0 248,-2.5 4,-1.3 246,-0.4 3,-1.2 0.830 114.1 65.0 -49.5 -42.4 0.8 42.2 85.0 106 106 A Y H 3>>S+ 0 0 6 1,-0.3 5,-2.3 247,-0.2 4,-1.0 0.797 95.4 61.1 -55.9 -27.4 2.8 39.5 83.1 107 107 A Q H <45S+ 0 0 7 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.872 103.1 49.4 -67.6 -36.0 0.7 36.9 84.9 108 108 A L H <<5S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.814 106.2 56.8 -72.0 -29.5 -2.5 38.2 83.5 109 109 A L H <5S- 0 0 2 -4,-1.3 -1,-0.2 202,-0.1 -2,-0.2 0.740 139.2 -69.7 -74.0 -23.5 -1.1 38.2 80.0 110 110 A G T <5S- 0 0 0 -4,-1.0 1114,-2.9 -3,-0.3 1115,-0.4 0.399 76.0 -91.6 146.5 5.8 -0.3 34.5 80.1 111 111 A G < - 0 0 0 -5,-2.3 2,-0.2 -6,-0.2 1111,-0.2 -0.173 66.6 -28.4 89.6 177.0 2.6 34.1 82.6 112 112 A R + 0 0 51 1,-0.1 1113,-0.4 1112,-0.1 203,-0.2 -0.489 42.1 171.2 -74.8 130.8 6.4 34.1 82.3 113 113 A S S S+ 0 0 5 201,-3.2 1043,-0.3 1,-0.3 2,-0.3 0.564 72.8 11.5-108.9 -19.5 8.0 32.9 79.0 114 114 A R - 0 0 0 200,-1.1 -1,-0.3 1,-0.2 1040,-0.2 -0.951 62.4-131.2-152.1 168.3 11.5 33.9 80.0 115 115 A D S S+ 0 0 91 1038,-2.6 -1,-0.2 -2,-0.3 2,-0.2 0.917 84.9 23.6 -88.5 -77.6 13.6 35.1 82.9 116 116 A G S S- 0 0 0 1037,-0.2 2,-0.6 231,-0.1 231,-0.2 -0.482 73.0-126.6 -91.2 163.2 15.6 38.2 81.9 117 117 A I E -D 346 0C 0 229,-2.6 229,-2.4 -2,-0.2 2,-0.1 -0.927 22.8-135.8-110.9 111.3 14.9 40.6 79.1 118 118 A M E -D 345 0C 29 -2,-0.6 204,-1.9 227,-0.2 2,-0.2 -0.448 30.4-179.0 -66.8 135.9 17.7 41.1 76.7 119 119 A V E -f 322 0D 0 225,-1.5 26,-0.7 202,-0.2 25,-0.4 -0.780 20.5-135.7-128.4 172.1 18.3 44.8 75.9 120 120 A Y E -fg 323 145D 0 202,-1.1 204,-1.7 -2,-0.2 26,-0.2 -0.957 16.9-146.1-128.9 149.5 20.6 46.9 73.7 121 121 A G E - 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0 0 4 -5,-2.2 -1,-0.3 1,-0.2 201,-0.1 -0.564 28.9-164.5 -74.0 131.4 25.5 44.2 77.1 144 144 A K S S+ 0 0 79 -25,-0.4 46,-2.7 200,-0.3 2,-0.4 0.683 79.4 37.4 -85.9 -20.6 24.8 41.3 74.6 145 145 A A E -gh 120 190D 0 -26,-0.7 -24,-1.3 44,-0.2 2,-0.4 -0.997 67.1-174.4-135.9 137.3 23.6 43.8 72.0 146 146 A I E -gh 121 191D 0 44,-2.6 46,-2.6 -2,-0.4 2,-0.6 -0.995 18.8-142.9-135.9 133.2 24.8 47.3 71.1 147 147 A R E -gh 122 192D 28 -26,-3.0 -24,-2.8 -2,-0.4 2,-0.5 -0.830 22.7-156.7 -91.9 126.6 23.4 49.9 68.7 148 148 A A E +g 123 0D 0 44,-2.6 2,-0.4 -2,-0.6 46,-0.3 -0.921 17.7 170.0-112.2 121.4 26.3 51.7 67.0 149 149 A Q E -g 124 0D 36 -26,-2.3 -24,-1.5 -2,-0.5 2,-0.3 -0.992 8.8-172.0-128.0 134.5 25.8 55.2 65.6 150 150 A T E -g 125 0D 21 -2,-0.4 -24,-0.2 -26,-0.2 -23,-0.1 -0.937 26.5-114.5-128.5 150.5 28.6 57.5 64.4 151 151 A G - 0 0 30 -26,-1.9 -23,-0.1 -2,-0.3 -20,-0.1 -0.431 34.4-128.8 -72.7 157.2 28.9 61.1 63.2 152 152 A V > - 0 0 18 3,-0.2 3,-2.4 -25,-0.1 18,-0.1 -0.948 17.6-118.8-116.4 120.0 29.8 61.4 59.5 153 153 A P T 3 S+ 0 0 77 0, 0.0 -26,-0.0 0, 0.0 20,-0.0 -0.261 102.1 25.2 -53.5 131.7 32.8 63.7 58.5 154 154 A G T 3 0 0 60 1,-0.2 15,-0.1 15,-0.0 0, 0.0 0.277 360.0 360.0 95.4 -12.0 31.5 66.4 56.2 155 155 A I < 0 0 77 -3,-2.4 -1,-0.2 9,-0.1 -3,-0.2 -0.912 360.0 360.0-107.3 360.0 28.0 66.2 57.6 156 ! 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 0.0 157 173 A A 0 0 72 0, 0.0 215,-2.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 177.6 15.7 72.5 72.7 158 174 A S + 0 0 94 213,-0.2 213,-0.1 2,-0.1 0, 0.0 0.730 360.0 17.6 -56.9 -25.5 13.2 75.4 73.0 159 175 A L S S- 0 0 86 213,-0.1 213,-0.1 211,-0.0 2,-0.1 -0.969 107.6 -75.5-143.4 154.1 12.8 75.2 69.2 160 176 A P - 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0 0 26 -4,-1.9 3,-0.3 -5,-0.4 -1,-0.2 -0.266 41.6 -60.3 77.4-168.4 34.7 39.9 66.5 187 203 A F T 3 S+ 0 0 72 1,-0.2 -1,-0.2 -4,-0.1 4,-0.1 0.272 100.8 98.4-102.3 11.2 31.2 38.4 65.9 188 204 A D S < S+ 0 0 123 -3,-0.5 2,-0.2 2,-0.1 -1,-0.2 0.856 73.9 67.4 -67.4 -35.7 30.1 37.4 69.4 189 205 A H S S- 0 0 45 -3,-0.3 2,-0.4 -4,-0.2 -44,-0.2 -0.610 85.6-114.7 -92.9 148.9 28.0 40.5 70.1 190 206 A H E -h 145 0D 27 -46,-2.7 -44,-2.6 -2,-0.2 2,-0.5 -0.634 33.2-160.9 -76.8 127.5 24.7 41.6 68.5 191 207 A L E -h 146 0D 4 24,-0.4 26,-3.3 -2,-0.4 27,-0.8 -0.960 8.0-172.0-116.8 128.1 25.3 44.8 66.6 192 208 A L E -hi 147 218D 0 -46,-2.6 -44,-2.6 -2,-0.5 2,-0.3 -0.811 6.8-164.5-117.1 155.6 22.5 47.1 65.6 193 209 A H E - i 0 219D 7 25,-1.8 27,-3.3 -2,-0.3 2,-0.6 -0.999 11.2-147.7-141.1 140.8 22.2 50.2 63.4 194 210 A D E - i 0 220D 4 -2,-0.3 27,-0.2 -46,-0.3 25,-0.1 -0.915 7.0-172.1-110.8 108.8 19.4 52.8 63.1 195 211 A G > - 0 0 3 25,-2.6 3,-1.9 -2,-0.6 26,-0.2 0.633 27.2-150.0 -72.1 -14.2 19.1 54.3 59.6 196 212 A H T 3 - 0 0 30 24,-0.5 26,-0.2 1,-0.3 25,-0.1 0.842 56.7 -63.0 44.5 50.8 16.7 56.8 61.1 197 213 A H T 3 S+ 0 0 10 24,-3.2 -1,-0.3 23,-0.2 188,-0.2 0.583 104.0 123.4 58.9 16.2 14.5 57.2 57.9 198 214 A R < + 0 0 30 -3,-1.9 2,-0.2 23,-0.3 25,-0.1 0.736 53.3 69.6 -81.1 -22.3 17.4 58.8 55.9 199 215 A Y S S- 0 0 4 23,-1.5 -4,-0.0 22,-0.2 -2,-0.0 -0.603 70.2-128.1-104.0 157.4 17.6 56.4 52.9 200 216 A T > - 0 0 52 -2,-0.2 4,-2.6 23,-0.1 5,-0.2 -0.475 45.3 -98.8 -86.0 167.5 15.5 55.6 49.8 201 217 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.913 124.6 49.0 -56.1 -43.6 14.7 51.9 49.3 202 218 A Q H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.911 112.9 46.1 -62.5 -44.7 17.5 51.6 46.8 203 219 A E H > S+ 0 0 41 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.870 112.3 51.5 -66.5 -36.1 20.0 53.2 49.0 204 220 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.871 109.9 49.2 -67.4 -37.3 18.9 51.2 51.9 205 221 A A H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.876 112.2 49.4 -67.4 -37.5 19.3 48.0 49.8 206 222 A N H X S+ 0 0 40 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.953 114.5 43.4 -64.8 -52.1 22.7 49.3 48.9 207 223 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.912 111.8 55.3 -60.6 -44.0 23.6 49.9 52.5 208 224 A G H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.904 108.8 46.4 -56.8 -45.1 22.1 46.6 53.6 209 225 A K H >< S+ 0 0 101 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.902 110.8 52.6 -64.9 -42.2 24.2 44.6 51.1 210 226 A M H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.784 110.8 48.3 -65.1 -26.4 27.4 46.5 52.2 211 227 A L H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 5,-0.3 0.631 86.3 92.7 -88.0 -14.5 26.6 45.7 55.9 212 228 A E G X< S+ 0 0 36 -4,-0.9 3,-1.7 -3,-0.6 -1,-0.2 0.830 77.4 58.4 -48.4 -43.6 26.0 42.0 55.2 213 229 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.747 102.9 57.6 -62.7 -18.3 29.6 40.8 55.8 214 230 A Y G < S- 0 0 40 -3,-2.0 -2,-0.2 -4,-0.1 -23,-0.1 0.388 99.7-135.7 -95.0 3.6 29.2 42.3 59.3 215 231 A Q < - 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0 0 17 -3,-1.6 21,-0.3 1,-0.1 3,-0.1 -0.438 44.1-174.9 -74.7 153.9 3.7 53.4 64.2 249 265 A N + 0 0 6 1,-0.3 2,-0.3 24,-0.1 -1,-0.1 0.464 62.1 27.6-128.7 -7.0 0.5 53.7 66.2 250 266 A T S > S- 0 0 0 1,-0.0 3,-1.7 -172,-0.0 4,-0.3 -0.976 79.5-107.0-149.7 163.5 -1.7 50.8 65.0 251 267 A I G >> S+ 0 0 3 -2,-0.3 4,-1.7 1,-0.3 3,-1.3 0.752 112.7 71.9 -62.9 -22.7 -1.4 47.4 63.5 252 268 A W G 34 S+ 0 0 34 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.730 89.5 60.1 -65.9 -22.5 -2.6 48.9 60.2 253 269 A D G <4 S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.663 119.6 26.1 -78.3 -16.7 0.8 50.6 59.8 254 270 A A T <> S+ 0 0 1 -3,-1.3 4,-2.4 -4,-0.3 5,-0.3 0.486 87.0 102.2-125.1 -5.7 2.5 47.3 59.8 255 271 A K H X S+ 0 0 8 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.883 92.0 38.7 -48.4 -49.3 0.1 44.7 58.5 256 272 A D H > S+ 0 0 33 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.874 111.4 56.4 -72.8 -39.0 1.6 44.5 55.0 257 273 A L H 4>S+ 0 0 0 2,-0.2 5,-3.2 1,-0.2 6,-0.8 0.893 116.0 40.7 -58.2 -38.9 5.3 44.8 56.2 258 274 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.956 116.1 44.9 -74.6 -54.4 4.6 41.7 58.3 259 275 A Q H 3<5S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.778 114.5 49.9 -64.4 -27.5 2.5 39.6 56.0 260 276 A N T 3<5S- 0 0 89 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.338 112.3-124.0 -91.2 7.6 4.8 40.2 53.0 261 277 A Q T < 5 + 0 0 8 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.923 64.6 141.0 50.1 54.5 7.7 39.3 55.3 262 278 A L < + 0 0 14 -5,-3.2 2,-0.3 -6,-0.2 -4,-0.2 0.520 60.3 41.9-100.1 -9.3 9.5 42.5 54.7 263 279 A I - 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0 0 3 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.709 34.2-145.7 -85.4 140.4 8.7 38.3 63.1 292 308 A R E -l 265 0D 29 -28,-2.7 -26,-2.4 -2,-0.3 2,-0.2 -0.700 14.3-100.6-110.4 162.0 9.8 39.2 66.7 293 309 A T E +lm 266 319D 3 25,-2.3 28,-1.9 -2,-0.2 27,-1.3 -0.559 33.5 170.5 -80.7 141.8 9.2 42.1 69.0 294 310 A G - 0 0 0 -28,-2.4 28,-0.2 26,-0.2 -1,-0.1 -0.369 25.8-155.7-145.5 55.6 11.9 44.8 69.3 295 311 A C - 0 0 2 26,-0.5 28,-2.1 1,-0.1 -27,-0.2 -0.012 16.9-116.9 -44.7 129.9 10.1 47.5 71.4 296 312 A H + 0 0 9 -29,-1.9 -1,-0.1 26,-0.1 -2,-0.0 -0.312 35.6 175.9 -61.8 146.7 11.3 51.0 71.1 297 313 A G + 0 0 5 25,-0.1 28,-1.1 -28,-0.1 -1,-0.1 0.016 13.3 150.2-153.9 41.4 12.6 52.3 74.4 298 314 A A > - 0 0 13 26,-0.1 3,-1.4 1,-0.1 27,-0.1 -0.176 63.2 -97.8 -68.4 170.2 14.1 55.8 74.2 299 315 A T T 3 S+ 0 0 40 1,-0.3 -1,-0.1 27,-0.1 29,-0.1 0.706 116.0 76.4 -66.1 -19.3 13.9 58.1 77.3 300 316 A D T 3 S+ 0 0 13 2,-0.1 2,-0.6 -283,-0.0 -1,-0.3 0.422 81.0 80.3 -73.5 5.9 10.8 59.9 76.0 301 317 A L S < S- 0 0 6 -3,-1.4 5,-0.1 -265,-0.1 -284,-0.1 -0.968 89.1-131.8-109.9 112.3 8.9 56.7 77.0 302 318 A S >> - 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