==== 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 OXIDOREDUCTASE 31-MAR-09 3GWD . COMPND 2 MOLECULE: CYCLOHEXANONE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR I.A.MIRZA,B.J.YACHNIN,A.M.BERGHUIS . 531 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 3 0 2 1 0 2 0 0 1 2 2 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 3 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 PARALLEL BRIDGES PER LADDER . 4 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 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 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 T 0 0 175 0, 0.0 128,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -9.1 0.5 32.0 6.0 2 6 A T - 0 0 68 126,-0.1 2,-0.5 128,-0.1 128,-0.2 -0.717 360.0-127.3 -82.2 141.5 -2.8 30.6 7.2 3 7 A H E -a 130 0A 83 126,-2.7 128,-3.3 -2,-0.3 2,-0.5 -0.799 10.2-144.6-101.5 129.7 -4.8 29.4 4.2 4 8 A T E +a 131 0A 119 -2,-0.5 2,-0.3 126,-0.2 128,-0.2 -0.819 31.1 159.5 -93.6 123.9 -8.4 30.4 3.6 5 9 A V E -a 132 0A 19 126,-3.0 128,-0.7 -2,-0.5 26,-0.1 -0.922 43.7-130.8-137.0 158.7 -10.6 27.7 2.1 6 10 A D E S+ 0 0 44 24,-0.8 128,-2.1 -2,-0.3 127,-0.7 0.893 89.8 16.8 -77.2 -42.5 -14.4 27.1 1.9 7 11 A A E -ab 134 31A 0 23,-2.2 25,-2.0 126,-0.2 2,-0.5 -0.995 56.4-158.8-141.4 138.1 -14.3 23.5 3.1 8 12 A V E -ab 135 32A 0 126,-2.3 128,-2.9 -2,-0.4 2,-0.5 -0.956 12.6-163.7-107.2 129.7 -11.9 21.1 4.8 9 13 A V E -ab 136 33A 0 23,-3.5 25,-1.7 -2,-0.5 2,-0.6 -0.969 4.8-155.9-111.5 128.6 -12.5 17.4 4.4 10 14 A I E +ab 137 34A 21 126,-2.6 128,-2.6 -2,-0.5 25,-0.2 -0.924 61.1 32.1-106.7 119.7 -10.8 14.9 6.8 11 15 A G - 0 0 9 23,-2.9 24,-0.2 -2,-0.6 23,-0.1 0.072 56.1-142.0 111.0 140.3 -10.3 11.4 5.4 12 16 A A + 0 0 0 4,-0.2 29,-2.8 27,-0.1 30,-0.2 0.003 66.9 103.6-125.4 26.3 -9.6 9.9 2.0 13 17 A G S > S- 0 0 13 125,-0.5 4,-2.5 28,-0.2 5,-0.3 -0.002 100.6 -61.6 -80.7-162.1 -11.8 6.8 2.2 14 18 A F H > S+ 0 0 13 27,-0.3 4,-2.0 1,-0.2 5,-0.2 0.925 138.4 49.6 -47.1 -50.5 -15.2 6.4 0.5 15 19 A G H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.956 114.0 40.0 -58.0 -57.4 -16.5 9.3 2.6 16 20 A G H > S+ 0 0 0 122,-0.4 4,-2.6 1,-0.2 5,-0.2 0.867 112.6 55.7 -64.4 -41.0 -13.8 11.9 2.0 17 21 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.934 113.7 40.8 -54.6 -49.0 -13.4 11.0 -1.7 18 22 A Y H X S+ 0 0 6 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.890 111.9 55.0 -73.1 -41.7 -17.1 11.6 -2.3 19 23 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.884 109.0 48.7 -55.3 -42.2 -17.3 14.7 -0.0 20 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.5 0.934 111.3 50.1 -67.5 -41.5 -14.4 16.4 -2.0 21 25 A H H X>S+ 0 0 30 -4,-1.8 4,-2.2 -5,-0.2 5,-0.8 0.930 116.1 42.0 -59.1 -49.8 -16.2 15.5 -5.3 22 26 A K H X>S+ 0 0 22 -4,-2.7 5,-2.1 3,-0.2 4,-0.7 0.931 117.7 43.8 -63.4 -50.6 -19.5 17.0 -4.1 23 27 A L H <5S+ 0 0 2 -4,-2.8 6,-2.4 3,-0.2 -2,-0.2 0.886 124.1 34.5 -68.8 -39.2 -18.1 20.1 -2.4 24 28 A H H <5S+ 0 0 54 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.923 128.1 30.4 -80.4 -50.9 -15.7 21.0 -5.2 25 29 A H H <5S+ 0 0 85 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.1 0.955 131.1 28.3 -78.3 -49.5 -17.5 19.9 -8.3 26 30 A E T < - 0 0 1 -29,-2.8 3,-2.0 48,-0.1 -27,-0.3 -0.005 56.2-160.5 128.6 -28.5 -8.5 4.4 0.0 42 46 A G T >> S+ 0 0 10 -3,-0.4 4,-2.5 1,-0.3 3,-1.9 -0.359 84.6 17.3 56.2-120.5 -9.0 4.7 3.7 43 47 A T H 3> S+ 0 0 63 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.836 132.3 50.8 -43.0 -39.6 -9.9 1.2 5.0 44 48 A W H <4 S+ 0 0 19 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.495 109.7 48.8 -90.9 -5.7 -8.5 -0.3 1.7 45 49 A Y H <4 S+ 0 0 33 -3,-1.9 3,-0.3 -6,-0.1 -2,-0.2 0.814 120.0 36.4 -87.3 -46.1 -5.2 1.6 2.0 46 50 A W H < S+ 0 0 87 -4,-2.5 2,-1.9 1,-0.2 120,-0.6 0.885 103.7 68.2 -80.6 -41.8 -4.6 0.6 5.6 47 51 A N < + 0 0 13 -4,-2.8 -1,-0.2 -5,-0.3 117,-0.1 -0.345 51.5 144.9 -83.2 63.8 -5.9 -2.9 5.8 48 52 A R + 0 0 50 -2,-1.9 121,-0.2 118,-0.4 -1,-0.2 0.119 28.4 135.3 -81.7 21.0 -3.3 -4.6 3.6 49 53 A Y > - 0 0 18 114,-0.4 3,-1.8 1,-0.1 2,-0.2 -0.337 68.4 -90.7 -70.1 151.0 -3.4 -7.8 5.7 50 54 A P T 3 S+ 0 0 29 0, 0.0 142,-0.3 0, 0.0 143,-0.2 -0.472 112.8 22.8 -68.5 134.9 -3.5 -11.1 3.9 51 55 A G T 3 S+ 0 0 36 1,-0.3 2,-0.3 -2,-0.2 138,-0.1 0.355 78.1 158.0 94.1 -4.3 -7.1 -12.3 3.3 52 56 A A < + 0 0 5 -3,-1.8 30,-2.2 -5,-0.1 2,-0.3 -0.406 16.1 155.5 -55.6 114.7 -8.6 -8.8 3.5 53 57 A L E -I 81 0B 22 -2,-0.3 28,-0.2 28,-0.3 2,-0.1 -0.984 41.9-116.8-143.3 145.7 -11.9 -9.1 1.6 54 58 A S E - 0 0 4 26,-2.5 26,-0.1 -2,-0.3 4,-0.1 -0.459 10.4-153.4 -69.5 151.0 -15.2 -7.3 1.6 55 59 A D E S+ 0 0 15 -2,-0.1 2,-0.5 24,-0.1 220,-0.3 0.124 74.8 90.1-118.5 27.3 -18.3 -9.1 2.6 56 60 A T E S- 0 0 8 24,-0.1 24,-0.5 217,-0.1 5,-0.2 -0.947 97.8-100.4 -95.2 134.3 -20.6 -6.9 0.7 57 61 A E E >> -I 79 0B 29 -2,-0.5 3,-2.9 187,-0.4 4,-1.2 -0.244 32.9-107.0 -59.0 144.8 -20.8 -8.6 -2.8 58 62 A S T 34 S+ 0 0 0 20,-2.2 3,-0.5 1,-0.3 21,-0.1 0.791 116.8 52.9 -41.5 -47.1 -18.6 -7.0 -5.5 59 63 A H T 34 S+ 0 0 19 19,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.600 115.4 40.9 -74.5 -10.8 -21.4 -5.3 -7.4 60 64 A L T <4 S+ 0 0 0 -3,-2.9 2,-1.3 1,-0.1 -1,-0.2 0.529 92.9 81.5-110.7 -14.0 -22.7 -3.6 -4.2 61 65 A Y S < S+ 0 0 32 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.1 -0.587 86.8 58.6 -98.1 75.5 -19.5 -2.5 -2.5 62 66 A R S S- 0 0 4 -2,-1.3 2,-0.0 -3,-0.1 23,-0.0 -0.940 95.6 -59.5-177.5 173.1 -18.9 0.7 -4.5 63 67 A F - 0 0 4 -2,-0.3 -2,-0.0 1,-0.1 -49,-0.0 -0.307 31.1-168.6 -68.8 156.6 -20.5 4.0 -5.4 64 68 A S + 0 0 12 370,-0.1 -1,-0.1 -2,-0.0 6,-0.1 0.520 65.2 89.6-118.0 -12.2 -23.9 4.1 -7.2 65 69 A F S S+ 0 0 59 1,-0.2 2,-0.7 2,-0.1 -2,-0.0 0.676 80.2 61.1 -68.4 -21.5 -24.1 7.8 -8.2 66 70 A D > - 0 0 34 1,-0.1 4,-1.9 2,-0.0 -1,-0.2 -0.897 64.0-169.2-112.8 104.4 -22.4 7.5 -11.6 67 71 A R H > S+ 0 0 198 -2,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.786 86.5 51.1 -66.2 -30.7 -24.3 5.1 -13.8 68 72 A D H >> S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 3,-0.9 0.942 105.7 54.6 -72.9 -50.2 -21.6 4.9 -16.5 69 73 A L H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.890 103.2 58.7 -43.2 -46.6 -18.9 4.0 -13.9 70 74 A L H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.0 45.2 -53.5 -37.5 -21.3 1.1 -12.9 71 75 A Q H << S+ 0 0 92 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.792 115.2 49.0 -76.5 -24.7 -21.1 -0.2 -16.5 72 76 A E H < S+ 0 0 103 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.1 0.893 87.9 86.4 -84.0 -45.6 -17.3 0.2 -16.7 73 77 A S < - 0 0 19 -4,-2.2 2,-0.3 -5,-0.1 15,-0.0 -0.141 58.3-165.6 -59.5 152.5 -15.9 -1.4 -13.5 74 78 A T - 0 0 101 -16,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.951 6.4-163.1-138.8 159.9 -15.2 -5.1 -13.5 75 79 A W - 0 0 13 -2,-0.3 148,-0.1 1,-0.1 143,-0.1 -0.972 20.9-142.8-144.1 158.5 -14.4 -7.8 -10.9 76 80 A K S S+ 0 0 149 -2,-0.3 142,-2.4 3,-0.1 2,-0.2 0.850 81.0 17.2 -82.7 -42.2 -13.0 -11.4 -10.7 77 81 A T B S-J 217 0C 28 2,-0.4 -19,-0.1 140,-0.3 138,-0.1 -0.683 83.4 -94.9-134.5 173.0 -15.2 -12.9 -8.0 78 82 A T S S+ 0 0 38 138,-1.9 -20,-2.2 -2,-0.2 2,-0.3 0.743 114.3 39.1 -70.3 -24.6 -18.5 -12.5 -6.1 79 83 A Y E S-I 57 0B 6 -22,-0.3 2,-0.4 137,-0.1 -2,-0.4 -0.838 88.0-127.5-118.9 164.8 -16.7 -10.7 -3.3 80 84 A I E - 0 0 4 -24,-0.5 -26,-2.5 -2,-0.3 -24,-0.1 -0.929 13.8-131.5-126.2 132.8 -13.9 -8.2 -3.8 81 85 A T E > -I 53 0B 48 -2,-0.4 4,-2.3 -28,-0.2 3,-0.3 -0.327 29.8-104.3 -79.8 161.3 -10.4 -8.1 -2.2 82 86 A Q H > S+ 0 0 15 -30,-2.2 4,-3.4 1,-0.2 5,-0.2 0.905 119.9 50.2 -46.1 -54.2 -8.6 -5.2 -0.6 83 87 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 111.2 49.6 -59.3 -34.8 -6.3 -4.5 -3.6 84 88 A E H > S+ 0 0 34 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.877 114.1 44.3 -70.5 -42.1 -9.3 -4.5 -6.0 85 89 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.922 113.3 51.8 -64.7 -45.5 -11.2 -2.1 -3.8 86 90 A L H X S+ 0 0 17 -4,-3.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 111.0 47.7 -55.9 -42.7 -8.1 -0.0 -3.4 87 91 A E H X S+ 0 0 140 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.872 110.4 52.7 -67.8 -36.0 -7.7 0.0 -7.2 88 92 A Y H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 110.5 45.9 -66.1 -42.7 -11.4 1.0 -7.6 89 93 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 110.2 53.8 -68.6 -39.1 -11.1 3.9 -5.2 90 94 A E H X S+ 0 0 55 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.861 109.2 50.4 -57.7 -39.8 -7.8 5.2 -6.9 91 95 A D H X S+ 0 0 75 -4,-1.7 4,-3.9 2,-0.2 -2,-0.2 0.943 107.2 51.9 -69.3 -47.4 -9.6 5.1 -10.2 92 96 A V H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.894 110.1 50.8 -49.4 -46.9 -12.6 7.2 -8.8 93 97 A V H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.6 0.914 116.5 40.0 -57.4 -45.1 -10.0 9.7 -7.5 94 98 A D H ><5S+ 0 0 101 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.906 110.2 61.1 -67.8 -44.4 -8.4 9.8 -11.1 95 99 A R H 3<5S+ 0 0 81 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.823 115.1 30.8 -54.4 -40.7 -11.8 9.7 -12.7 96 100 A F T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.127 109.6-112.2-110.4 17.6 -13.0 13.0 -11.1 97 101 A D T < 5S+ 0 0 84 -3,-1.5 -3,-0.2 1,-0.1 -4,-0.1 0.899 70.4 139.4 56.1 48.7 -9.6 14.8 -10.8 98 102 A L > < + 0 0 0 -5,-2.7 3,-1.9 -6,-0.2 4,-0.4 0.674 44.2 80.6 -94.2 -23.2 -9.7 14.6 -7.0 99 103 A R G > S+ 0 0 89 -6,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.856 86.7 58.2 -59.8 -39.9 -6.0 13.8 -6.2 100 104 A R G 3 S+ 0 0 182 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.679 101.4 59.2 -62.5 -15.3 -4.9 17.4 -6.6 101 105 A H G < S+ 0 0 34 -3,-1.9 -68,-2.0 -69,-0.1 2,-0.3 0.560 93.7 80.9 -95.7 -4.7 -7.3 18.4 -3.9 102 106 A F E < -c 33 0A 13 -3,-1.5 2,-0.6 -4,-0.4 -68,-0.2 -0.725 62.4-149.2-105.1 148.6 -5.9 16.2 -1.1 103 107 A K E > -c 34 0A 79 -70,-2.7 -68,-1.8 -2,-0.3 3,-0.5 -0.924 26.4-168.9-110.8 101.6 -2.9 16.5 1.2 104 108 A F T 3 + 0 0 42 -2,-0.6 -66,-0.3 1,-0.2 -68,-0.2 -0.321 67.9 37.1 -84.8 172.0 -1.7 13.0 1.9 105 109 A G T 3 S+ 0 0 18 -68,-2.2 2,-0.5 -69,-0.2 -69,-0.3 0.742 98.2 118.5 60.7 19.9 0.9 12.0 4.6 106 110 A T < - 0 0 9 -71,-3.0 2,-0.5 -3,-0.5 -71,-0.3 -0.936 48.8-164.9-130.6 112.1 -1.0 14.7 6.6 107 111 A E - 0 0 78 -2,-0.5 18,-2.4 -71,-0.2 2,-0.6 -0.790 20.4-133.0 -92.3 131.5 -2.9 14.3 9.8 108 112 A V E +D 124 0A 8 -2,-0.5 16,-0.3 16,-0.2 3,-0.1 -0.761 27.0 176.2 -76.9 122.7 -5.2 17.0 11.1 109 113 A T E + 0 0 48 14,-2.4 280,-1.6 -2,-0.6 2,-0.3 0.533 60.2 22.5-107.0 -12.6 -4.4 17.4 14.8 110 114 A S E -De 123 389A 17 13,-1.6 13,-2.5 278,-0.2 2,-0.3 -0.986 45.6-179.1-159.6 146.9 -6.7 20.3 15.7 111 115 A A E -De 122 390A 1 278,-2.2 280,-2.5 -2,-0.3 2,-0.5 -0.893 17.5-179.4-147.7 107.6 -10.0 22.0 14.6 112 116 A L E -De 121 391A 53 9,-2.8 9,-3.4 -2,-0.3 2,-0.3 -0.955 23.3-132.7-117.4 132.2 -11.1 25.0 16.6 113 117 A Y E -D 120 0A 14 278,-2.7 2,-0.7 -2,-0.5 282,-0.2 -0.629 12.7-147.8 -74.5 135.5 -14.2 27.0 16.0 114 118 A L E >> -D 119 0A 30 5,-3.1 4,-1.8 -2,-0.3 5,-1.1 -0.920 7.9-164.8-105.4 104.3 -13.6 30.8 16.0 115 119 A D T 45S+ 0 0 56 -2,-0.7 3,-0.2 1,-0.2 -1,-0.2 0.901 83.3 54.3 -55.3 -47.3 -16.9 32.3 17.4 116 120 A D T 45S+ 0 0 152 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.903 121.3 27.3 -58.6 -45.1 -16.1 35.8 16.2 117 121 A E T 45S- 0 0 90 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.556 98.5-127.3 -99.8 -1.7 -15.5 35.0 12.6 118 122 A N T <5 + 0 0 36 -4,-1.8 2,-0.3 -3,-0.2 -3,-0.2 0.909 67.3 125.1 56.0 45.4 -17.7 31.8 12.3 119 123 A L E < -D 114 0A 41 -5,-1.1 -5,-3.1 -7,-0.0 2,-0.4 -0.884 61.2-122.6-126.9 160.6 -14.8 29.9 10.8 120 124 A W E -DF 113 132A 0 12,-3.3 12,-2.3 -2,-0.3 2,-0.6 -0.897 18.5-152.7-100.0 134.5 -13.0 26.6 11.7 121 125 A E E -DF 112 131A 44 -9,-3.4 -9,-2.8 -2,-0.4 2,-0.4 -0.941 17.6-170.0-111.5 115.3 -9.2 26.8 12.3 122 126 A V E -DF 111 130A 0 8,-2.8 8,-2.6 -2,-0.6 2,-0.4 -0.858 5.7-165.0-116.5 130.3 -7.6 23.5 11.4 123 127 A T E -DF 110 129A 40 -13,-2.5 -14,-2.4 -2,-0.4 -13,-1.6 -0.934 6.0-150.7-119.1 140.5 -4.0 22.6 12.1 124 128 A T E > -D 108 0A 4 4,-2.1 3,-1.6 -2,-0.4 -16,-0.2 -0.606 33.4-106.7-100.9 166.4 -2.0 19.7 10.7 125 129 A D T 3 S+ 0 0 59 -18,-2.4 -17,-0.1 1,-0.3 -1,-0.1 0.546 121.6 60.6 -64.2 -10.5 0.9 17.7 12.2 126 130 A H T 3 S- 0 0 113 -19,-0.3 -1,-0.3 2,-0.1 -18,-0.1 0.611 119.2-110.9 -91.8 -13.6 3.1 19.6 9.8 127 131 A G S < S+ 0 0 54 -3,-1.6 2,-0.2 1,-0.4 -2,-0.1 0.463 70.1 139.4 96.9 2.3 2.1 22.9 11.4 128 132 A E - 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0 0 2 -3,-1.1 3,-0.9 -25,-0.2 -3,-0.4 -0.694 64.1-169.2-122.3 77.6 -20.4 22.4 16.6 418 422 A P T 3 + 0 0 0 0, 0.0 42,-0.2 0, 0.0 3,-0.1 -0.363 67.1 4.5 -75.5 145.7 -21.8 24.6 13.8 419 423 A N T 3 S+ 0 0 3 40,-2.7 -284,-2.0 1,-0.2 2,-0.5 0.787 99.6 122.0 58.4 32.2 -21.0 23.9 10.1 420 424 A W E < -g 135 0A 1 -3,-0.9 -6,-0.4 39,-0.3 2,-0.3 -0.993 43.1-170.7-132.4 116.7 -19.2 20.8 11.2 421 425 A F E -g 136 0A 3 -286,-3.3 -284,-3.3 -2,-0.5 2,-0.4 -0.783 12.9-147.2-120.0 156.4 -20.4 17.5 9.7 422 426 A M E -g 137 0A 0 -10,-1.8 2,-0.6 -2,-0.3 3,-0.3 -0.974 4.6-155.8-124.4 136.8 -19.8 13.8 10.1 423 427 A V S S- 0 0 4 -286,-2.8 -283,-0.5 -2,-0.4 -284,-0.3 -0.963 94.1 -3.2-105.9 116.6 -19.8 10.9 7.7 424 428 A L S S+ 0 0 14 -2,-0.6 -1,-0.2 12,-0.1 -12,-0.1 0.873 97.8 157.6 65.3 42.0 -20.6 7.8 9.7 425 429 A G - 0 0 2 -14,-1.3 3,-0.5 -3,-0.3 -43,-0.1 -0.166 52.7 -44.9 -77.9-178.1 -20.6 9.7 13.0 426 430 A P S S+ 0 0 0 0, 0.0 -15,-0.2 0, 0.0 -1,-0.2 -0.177 123.0 14.4 -54.2 140.7 -22.4 8.4 16.1 427 431 A N S S+ 0 0 1 75,-1.8 76,-0.3 1,-0.2 -15,-0.1 0.893 90.6 128.8 62.1 49.9 -25.9 7.1 15.7 428 432 A G E -t 503 0I 2 74,-0.7 76,-2.8 -3,-0.5 -1,-0.2 -0.542 62.9 -48.4-114.8-171.0 -26.1 6.6 11.9 429 433 A P E -t 504 0I 1 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.183 36.1-146.6 -68.2 149.6 -27.1 3.6 9.7 430 434 A F + 0 0 20 74,-0.6 2,-0.3 -189,-0.2 78,-0.1 -0.885 57.9 101.6-115.7 91.2 -25.9 0.1 10.2 431 435 A T S S- 0 0 10 -2,-0.6 2,-0.4 76,-0.1 -188,-0.2 -0.905 89.1 -45.5-154.3 172.4 -25.8 -1.3 6.7 432 436 A N S > S- 0 0 2 -190,-2.8 4,-0.6 -2,-0.3 -2,-0.0 -0.541 71.8-140.9 -48.0 112.5 -23.6 -2.1 3.7 433 437 A L H >> S+ 0 0 43 -2,-0.4 4,-2.9 1,-0.2 3,-0.6 0.763 80.3 72.4 -70.6 -40.2 -21.9 1.3 4.1 434 438 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.872 102.8 44.2 -42.2 -51.9 -21.2 2.8 0.7 435 439 A P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.764 114.5 50.6 -69.8 -23.8 -24.9 3.7 -0.0 436 440 A S H S+ 0 0 1 -4,-2.2 5,-1.1 2,-0.2 -2,-0.2 0.871 113.4 48.4 -63.5 -41.6 -26.4 27.6 3.6 452 456 A E H <5S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.958 113.6 45.7 -61.6 -52.5 -24.2 29.2 1.0 453 457 A R H <5S+ 0 0 185 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.798 115.9 50.6 -64.5 -33.8 -27.2 30.2 -1.2 454 458 A N T <5S- 0 0 85 -4,-2.5 -3,-0.0 -5,-0.2 76,-0.0 -0.192 110.3 -94.7 -86.4-170.9 -29.1 31.6 1.8 455 459 A G T 5 + 0 0 43 -2,-0.1 -3,-0.1 76,-0.1 -4,-0.1 0.209 65.6 159.6 -91.5 24.9 -27.3 34.0 4.2 456 460 A V < + 0 0 7 -5,-1.1 74,-0.2 -6,-0.2 3,-0.1 -0.215 23.0 167.4 -74.9 125.2 -26.2 31.3 6.6 457 461 A R S S+ 0 0 95 72,-3.3 2,-0.3 1,-0.3 73,-0.2 0.708 75.7 9.3 -94.3 -32.6 -23.3 32.0 9.0 458 462 A A E -U 529 0J 9 71,-1.5 71,-2.6 -7,-0.1 2,-0.4 -0.979 55.7-175.9-152.1 140.0 -23.9 29.0 11.2 459 463 A I E +U 528 0J 2 -2,-0.3 -40,-2.7 69,-0.2 -39,-0.3 -0.995 21.2 147.5-134.2 128.8 -26.1 25.8 11.2 460 464 A E E -U 527 0J 13 67,-1.6 67,-2.7 -2,-0.4 -45,-0.1 -0.974 46.2-101.3-153.2 150.1 -26.2 23.4 14.1 461 465 A P E -U 526 0J 1 0, 0.0 -45,-0.3 0, 0.0 65,-0.3 -0.466 39.9-110.2 -72.7 151.3 -28.9 21.1 15.6 462 466 A T > - 0 0 26 63,-2.8 4,-1.9 -2,-0.1 5,-0.2 -0.386 24.8-115.1 -69.9 154.5 -30.6 22.1 18.8 463 467 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 117.3 54.5 -55.2 -38.6 -29.9 20.2 22.1 464 468 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.899 107.7 48.0 -64.9 -39.4 -33.6 19.0 22.1 465 469 A A H > S+ 0 0 6 60,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.900 112.1 49.3 -69.9 -42.5 -33.4 17.6 18.5 466 470 A E H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -58,-0.3 0.922 111.7 48.4 -56.2 -49.3 -30.1 15.8 19.3 467 471 A A H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.864 109.5 52.7 -63.3 -37.8 -31.6 14.3 22.5 468 472 A E H X S+ 0 0 121 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.851 109.5 49.8 -66.4 -33.9 -34.8 13.2 20.6 469 473 A W H X S+ 0 0 14 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.889 108.6 52.1 -68.8 -42.6 -32.5 11.5 18.1 470 474 A T H X S+ 0 0 24 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.902 111.5 47.6 -55.0 -41.8 -30.6 9.8 21.0 471 475 A E H X S+ 0 0 117 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.880 109.8 52.3 -70.8 -39.3 -34.0 8.5 22.3 472 476 A T H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.918 112.7 44.3 -63.0 -45.9 -35.1 7.3 18.8 473 477 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 32,-0.2 0.871 113.4 51.5 -66.2 -38.8 -31.9 5.3 18.4 474 478 A T H X S+ 0 0 48 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.906 109.6 49.1 -63.5 -44.5 -32.1 3.9 22.0 475 479 A E H X S+ 0 0 137 -4,-2.5 4,-0.6 2,-0.2 3,-0.4 0.958 114.2 45.3 -58.2 -53.3 -35.7 2.8 21.5 476 480 A I H >< S+ 0 0 45 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.888 110.9 54.2 -59.1 -43.3 -34.9 1.0 18.2 477 481 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 6,-0.5 0.812 100.4 59.8 -62.0 -35.0 -31.7 -0.6 19.8 478 482 A N H 3< S+ 0 0 116 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.711 98.1 61.1 -65.7 -19.2 -33.7 -2.1 22.7 479 483 A A T << S+ 0 0 62 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.414 101.3 62.5 -88.4 -0.7 -35.8 -4.0 20.1 480 484 A T S < S- 0 0 26 -3,-1.4 3,-0.3 -4,-0.1 -193,-0.2 -0.775 78.3-129.4-120.7 166.0 -32.8 -5.9 18.8 481 485 A L S > S+ 0 0 9 -195,-2.6 3,-2.0 -2,-0.3 4,-0.4 0.633 88.0 90.8 -90.2 -13.0 -30.3 -8.4 20.4 482 486 A F G > S+ 0 0 9 -196,-0.3 3,-1.5 1,-0.3 4,-0.3 0.830 79.9 63.2 -51.2 -33.4 -27.1 -6.5 19.2 483 487 A T G 3 S+ 0 0 52 -6,-0.5 3,-0.3 -3,-0.3 -1,-0.3 0.743 104.9 43.8 -66.3 -26.0 -27.2 -4.6 22.5 484 488 A K G < S+ 0 0 137 -3,-2.0 -1,-0.3 1,-0.2 -163,-0.2 0.301 91.8 93.4 -98.1 5.6 -26.7 -7.7 24.6 485 489 A G S < S- 0 0 8 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.628 82.3-139.8 -75.7 -18.7 -24.0 -8.9 22.1 486 490 A D + 0 0 115 -3,-0.3 2,-0.3 -4,-0.3 -3,-0.1 0.973 56.3 112.1 57.8 65.5 -21.0 -7.5 24.0 487 491 A S S > >S- 0 0 12 -5,-0.2 5,-1.8 -164,-0.1 3,-1.5 -0.868 84.3 -73.5-151.7-176.2 -18.9 -6.1 21.1 488 492 A W G > 5S+ 0 0 52 1,-0.3 3,-2.4 -2,-0.3 -108,-0.1 0.752 112.5 77.6 -58.9 -31.6 -17.7 -3.0 19.4 489 493 A I G 3 5S+ 0 0 1 1,-0.3 13,-0.3 2,-0.1 -1,-0.3 0.755 107.6 30.7 -53.4 -32.8 -21.1 -2.1 18.0 490 494 A F G < 5S- 0 0 17 -3,-1.5 10,-1.7 -8,-0.2 -1,-0.3 0.047 121.0-103.9-114.4 24.1 -22.2 -0.8 21.5 491 495 A G T < 5S+ 0 0 0 -3,-2.4 3,-0.3 8,-0.2 -3,-0.2 0.800 83.5 126.7 60.8 36.6 -18.7 0.3 22.6 492 496 A A < + 0 0 35 -5,-1.8 -4,-0.2 1,-0.2 -1,-0.1 0.411 46.6 84.4-100.6 0.5 -18.1 -2.6 24.9 493 497 A N S S+ 0 0 38 -6,-0.2 -1,-0.2 1,-0.1 -5,-0.1 0.569 81.7 57.8 -87.8 -12.5 -14.7 -3.7 23.4 494 498 A I S > S- 0 0 28 -3,-0.3 3,-2.6 3,-0.2 -1,-0.1 -0.960 80.6-128.9-119.8 113.3 -12.3 -1.4 25.2 495 499 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.399 102.2 34.4 -52.4 131.7 -12.0 -1.3 29.0 496 500 A G T 3 S+ 0 0 88 1,-0.3 2,-0.6 -2,-0.0 0, 0.0 0.063 92.9 104.3 102.9 -25.5 -12.3 2.4 29.8 497 501 A K S < S- 0 0 27 -3,-2.6 -1,-0.3 -6,-0.0 -3,-0.2 -0.830 74.8-127.0 -84.4 124.1 -14.7 3.2 27.0 498 502 A K - 0 0 133 -2,-0.6 2,-0.1 -94,-0.2 -6,-0.0 -0.572 25.1-124.1 -64.3 127.4 -18.3 3.6 28.3 499 503 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.488 49.1 134.7 -71.1 144.8 -20.8 1.3 26.4 500 504 A S - 0 0 19 -10,-1.7 -8,-0.1 -2,-0.1 2,-0.1 -0.952 60.1 -60.7-166.9 174.6 -23.8 3.0 24.7 501 505 A V + 0 0 13 -2,-0.3 -11,-0.1 1,-0.1 -27,-0.1 -0.396 45.0 170.1 -57.1 145.6 -25.8 3.0 21.5 502 506 A L + 0 0 1 -13,-0.3 -75,-1.8 1,-0.2 -74,-0.7 0.282 55.6 55.1-140.4 -3.1 -23.6 4.0 18.5 503 507 A F E S-t 428 0I 7 -76,-0.3 2,-0.7 -77,-0.2 -1,-0.2 -0.989 71.2-127.1-136.4 148.7 -26.0 3.3 15.6 504 508 A Y E -t 429 0I 11 -76,-2.8 -74,-0.6 -2,-0.3 3,-0.4 -0.848 28.3-166.5 -80.6 118.0 -29.4 4.1 14.3 505 509 A L + 0 0 30 -2,-0.7 -1,-0.1 -32,-0.2 3,-0.1 -0.082 57.5 103.4-104.0 33.6 -30.7 0.5 13.7 506 510 A G S S- 0 0 19 1,-0.2 4,-0.4 2,-0.0 -1,-0.2 0.690 84.1-117.1 -87.3 -17.9 -33.7 1.4 11.6 507 511 A G > - 0 0 7 -3,-0.4 4,-2.0 1,-0.1 -266,-0.2 -0.139 30.5 -72.8 97.8 166.0 -32.2 0.4 8.3 508 512 A L H > S+ 0 0 0 -267,-2.4 4,-3.4 1,-0.2 -267,-0.2 0.865 125.8 53.6 -65.3 -43.8 -31.3 2.3 5.2 509 513 A R H > S+ 0 0 141 -269,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.934 113.9 40.8 -57.5 -51.2 -34.8 2.8 3.9 510 514 A N H > S+ 0 0 82 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.846 116.1 51.7 -69.1 -34.5 -36.1 4.3 7.1 511 515 A Y H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.967 108.0 50.5 -65.2 -51.3 -32.9 6.3 7.5 512 516 A R H X S+ 0 0 83 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.869 110.6 50.7 -53.7 -39.9 -33.1 7.7 4.0 513 517 A A H X S+ 0 0 59 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.884 109.5 49.7 -68.0 -39.4 -36.8 8.8 4.6 514 518 A V H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.960 114.3 45.5 -61.1 -47.1 -35.8 10.5 7.9 515 519 A M H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.915 113.3 48.8 -63.5 -46.6 -33.0 12.4 6.0 516 520 A A H X S+ 0 0 62 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.905 113.9 47.0 -58.1 -42.8 -35.2 13.3 3.0 517 521 A E H X S+ 0 0 80 -4,-2.1 4,-1.2 2,-0.2 7,-0.2 0.844 105.7 55.3 -79.4 -31.9 -37.9 14.6 5.2 518 522 A V H <>S+ 0 0 1 -4,-2.3 6,-1.2 2,-0.2 5,-1.0 0.932 115.0 42.6 -61.6 -43.7 -35.8 16.7 7.6 519 523 A A H ><5S+ 0 0 29 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.907 112.4 51.6 -65.1 -45.3 -34.4 18.6 4.5 520 524 A A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.725 105.9 59.8 -65.3 -19.7 -37.8 18.8 2.8 521 525 A D T 3<5S- 0 0 88 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.045 128.1 -94.0 -97.2 25.0 -39.1 20.3 6.1 522 526 A G T < 5S- 0 0 52 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.911 79.2 -57.3 64.6 44.3 -36.7 23.3 6.1 523 527 A Y S >