==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-DEC-11 3VM4 . COMPND 2 MOLECULE: FATTY ACID ALPHA-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR T.FUJISHIRO,O.SHOJI,S.NAGANO,H.SUGIMOTO,Y.SHIRO,Y.WATANABE . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 2 0.5 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 3 0 1 0 0 2 1 1 0 1 2 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 0 1 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 . 1 1 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 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 9 A G 0 0 93 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 163.1 12.3 -9.1 -25.8 2 10 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 29,-0.3 -0.412 360.0-113.7 -71.1 150.3 14.9 -9.3 -23.0 3 11 A D - 0 0 75 27,-0.1 3,-0.2 1,-0.1 29,-0.2 -0.765 32.3-178.0 -79.6 126.8 17.1 -12.4 -22.7 4 12 A E > + 0 0 41 27,-2.8 4,-2.1 -2,-0.5 5,-0.2 -0.028 38.0 125.8-121.6 34.6 16.2 -14.1 -19.4 5 13 A T H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 79.9 50.6 -53.2 -42.7 18.6 -17.1 -19.3 6 14 A L H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 107.3 52.0 -67.2 -39.2 19.7 -15.9 -15.8 7 15 A S H > S+ 0 0 61 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.882 113.5 45.6 -63.0 -39.4 16.2 -15.6 -14.5 8 16 A L H >< S+ 0 0 40 -4,-2.1 3,-0.8 2,-0.2 7,-0.2 0.930 111.1 50.8 -69.0 -47.3 15.5 -19.2 -15.6 9 17 A L H 3< S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.793 108.7 53.4 -63.7 -28.2 18.8 -20.6 -14.2 10 18 A A H 3< S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.725 128.2 19.0 -75.7 -24.7 18.0 -18.9 -10.8 11 19 A D S S+ 0 0 67 -3,-0.3 4,-2.2 373,-0.2 5,-0.2 0.577 90.0 92.1-113.2 -13.7 9.3 -22.4 -11.0 15 23 A F H X S+ 0 0 15 -4,-2.8 4,-2.1 -7,-0.2 5,-0.2 0.902 91.6 45.4 -49.7 -50.4 10.3 -19.6 -13.4 16 24 A I H > S+ 0 0 7 -4,-0.2 4,-2.7 -5,-0.2 -1,-0.2 0.938 114.4 44.6 -64.2 -51.6 7.7 -20.6 -16.1 17 25 A S H > S+ 0 0 28 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.814 111.9 55.0 -65.3 -28.8 4.7 -21.2 -13.8 18 26 A R H X S+ 0 0 97 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.932 111.2 43.1 -68.9 -44.8 5.4 -18.0 -11.9 19 27 A Q H X S+ 0 0 49 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.896 112.6 54.4 -64.8 -41.3 5.4 -15.9 -15.1 20 28 A C H X>S+ 0 0 3 -4,-2.7 5,-2.0 2,-0.2 4,-0.9 0.873 109.0 48.3 -55.8 -41.8 2.3 -17.8 -16.2 21 29 A Q H <5S+ 0 0 151 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.897 111.3 49.6 -67.9 -42.4 0.6 -16.9 -13.0 22 30 A R H <5S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.843 117.9 40.3 -64.5 -34.7 1.6 -13.2 -13.3 23 31 A L H <5S- 0 0 100 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.539 103.8-129.7 -90.8 -9.6 0.3 -13.1 -16.9 24 32 A G T <5S+ 0 0 73 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.841 72.4 104.1 59.3 37.6 -2.8 -15.2 -16.2 25 33 A A S -A 35 0A 15 3,-2.2 3,-1.7 -2,-0.3 2,-0.2 -0.999 69.3 -37.8-129.8 125.8 17.0 -17.9 -23.7 33 41 A L T 3 S- 0 0 128 -2,-0.4 -28,-0.1 1,-0.3 -29,-0.0 -0.409 126.9 -22.9 54.6-124.4 20.5 -17.4 -25.2 34 42 A L T 3 S+ 0 0 168 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.689 119.6 91.6 -83.3 -17.7 20.0 -16.7 -28.9 35 43 A K E < -A 32 0A 114 -3,-1.7 -3,-2.2 267,-0.0 2,-0.1 -0.709 68.7-137.7-101.4 120.1 16.5 -18.3 -29.2 36 44 A K E -A 31 0A 94 -2,-0.5 267,-0.9 -5,-0.2 2,-0.4 -0.467 37.3-161.8 -50.8 135.8 13.1 -16.7 -28.8 37 45 A T E -Ab 30 303A 0 -7,-3.0 -7,-3.2 265,-0.1 2,-0.6 -0.997 21.4-143.7-136.8 129.6 11.3 -19.4 -26.9 38 46 A N E -Ab 29 304A 0 265,-2.5 267,-2.6 -2,-0.4 2,-0.5 -0.847 21.9-152.5 -87.6 124.4 7.6 -20.1 -26.3 39 47 A C E -Ab 28 305A 0 -11,-3.2 -11,-1.9 -2,-0.6 2,-0.3 -0.890 15.4-170.9-102.0 127.0 7.2 -21.4 -22.7 40 48 A L E +Ab 27 306A 0 265,-3.1 267,-2.9 -2,-0.5 2,-0.3 -0.866 9.6 179.1-121.3 151.1 4.2 -23.7 -22.2 41 49 A K E + b 0 307A 24 -15,-2.0 4,-0.4 -2,-0.3 3,-0.1 -0.995 38.2 33.8-149.4 143.8 2.5 -25.2 -19.1 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.2 -2,-0.3 5,-0.2 -0.200 88.0 -62.3 102.3 172.5 -0.5 -27.5 -18.4 43 51 A A H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.859 126.7 47.8 -66.7 -42.4 -2.4 -30.4 -19.9 44 52 A K H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 113.4 48.8 -69.0 -40.4 -3.6 -28.8 -23.2 45 53 A A H > S+ 0 0 2 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.894 109.0 53.6 -62.9 -40.3 -0.1 -27.4 -23.9 46 54 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 105.2 55.7 -62.0 -38.7 1.5 -30.8 -23.2 47 55 A E H < S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.5 41.5 -63.1 -40.6 -0.9 -32.4 -25.7 48 56 A I H >< S+ 0 0 11 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.892 109.7 58.9 -74.0 -33.9 0.2 -30.0 -28.5 49 57 A F H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.855 106.3 49.4 -60.1 -37.6 3.9 -30.4 -27.5 50 58 A Y T 3< S+ 0 0 26 -4,-1.9 2,-1.0 -5,-0.1 -1,-0.3 0.374 80.9 108.9 -84.2 3.4 3.6 -34.2 -28.1 51 59 A D X> - 0 0 43 -3,-1.5 3,-1.9 1,-0.2 4,-1.4 -0.715 55.1-164.0 -80.6 105.1 2.0 -33.7 -31.5 52 60 A T T 34 S+ 0 0 73 -2,-1.0 -1,-0.2 1,-0.3 28,-0.1 0.519 83.5 67.9 -77.2 -3.7 4.9 -34.9 -33.7 53 61 A T T 34 S+ 0 0 89 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.618 114.8 30.1 -80.4 -13.9 3.4 -33.3 -36.8 54 62 A R T <4 S+ 0 0 56 -3,-1.9 234,-2.6 1,-0.2 235,-0.6 0.605 120.3 50.7-116.4 -16.6 4.1 -29.9 -35.1 55 63 A F E < -C 287 0A 7 -4,-1.4 2,-0.3 232,-0.3 232,-0.2 -0.980 53.8-177.7-131.8 140.2 7.2 -30.6 -33.0 56 64 A E E -C 286 0A 51 230,-2.5 230,-2.5 -2,-0.4 23,-0.1 -0.891 19.7-154.9-128.1 156.6 10.6 -32.1 -33.6 57 65 A R > + 0 0 28 -2,-0.3 3,-2.7 228,-0.2 4,-0.5 0.603 54.7 121.4-103.1 -16.9 13.6 -32.8 -31.3 58 66 A E T 3 S+ 0 0 124 1,-0.3 -2,-0.1 2,-0.1 20,-0.1 -0.207 89.1 1.3 -55.1 130.1 16.4 -32.7 -34.0 59 67 A G T 3 S+ 0 0 62 18,-0.2 -1,-0.3 1,-0.1 226,-0.1 0.461 101.4 106.8 72.2 2.6 18.9 -30.0 -33.0 60 68 A A < + 0 0 12 -3,-2.7 -2,-0.1 224,-0.1 -1,-0.1 0.708 53.6 92.5 -85.0 -19.6 17.1 -28.9 -29.8 61 69 A M S S- 0 0 40 -4,-0.5 -2,-0.1 1,-0.1 5,-0.1 -0.639 79.2-125.4 -78.1 120.2 19.7 -30.5 -27.4 62 70 A P >> - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.244 16.0-118.9 -62.6 148.8 22.4 -28.0 -26.4 63 71 A V H 3> S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 114.5 59.2 -52.1 -40.9 26.1 -29.0 -26.9 64 72 A A H 34 S+ 0 0 38 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.824 106.8 46.9 -61.3 -32.5 26.6 -28.7 -23.1 65 73 A I H X4>S+ 0 0 48 -3,-0.7 5,-2.5 2,-0.2 3,-1.0 0.870 109.2 53.0 -76.5 -40.9 24.0 -31.4 -22.6 66 74 A Q H 3<5S+ 0 0 54 -4,-2.0 5,-0.2 1,-0.2 -2,-0.2 0.824 110.4 50.1 -57.6 -34.8 25.5 -33.7 -25.3 67 75 A K T 3<5S+ 0 0 87 -4,-2.0 111,-0.3 -5,-0.2 -1,-0.2 0.486 130.6 8.4 -85.9 -4.4 28.8 -33.4 -23.5 68 76 A T T < 5S+ 0 0 1 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.363 127.2 25.6-133.2 -89.7 27.4 -34.3 -20.1 69 77 A L T 5S+ 0 0 37 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.843 129.9 17.6 -55.2 -45.7 23.9 -35.6 -19.3 70 78 A L S - 0 0 5 -3,-0.2 3,-1.7 -4,-0.1 -1,-0.2 -0.216 67.6 -94.0 -83.3 172.7 21.1 -41.0 -28.6 75 83 A V G > S+ 0 0 13 1,-0.3 3,-1.8 2,-0.2 12,-0.1 0.769 114.9 70.3 -57.6 -30.8 17.3 -41.6 -28.9 76 84 A Q G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -6,-0.1 275,-0.1 0.761 98.5 49.7 -60.1 -28.0 16.4 -38.1 -27.4 77 85 A G G < S+ 0 0 24 -3,-1.7 -1,-0.3 -18,-0.1 -18,-0.2 0.362 94.5 98.6 -92.5 5.8 17.7 -36.3 -30.5 78 86 A L < - 0 0 31 -3,-1.8 2,-0.3 -4,-0.2 -21,-0.1 -0.621 48.5-170.1-100.1 151.9 15.8 -38.5 -33.0 79 87 A D >> - 0 0 43 -2,-0.2 4,-1.6 -22,-0.1 3,-0.6 -0.878 45.2 -0.1-127.6 165.4 12.5 -37.9 -34.8 80 88 A G H 3> S- 0 0 31 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.130 119.2 -16.9 66.7-149.6 10.0 -39.8 -37.0 81 89 A E H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 136.0 58.4 -65.6 -30.6 10.4 -43.4 -38.0 82 90 A T H <> S+ 0 0 69 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.927 110.2 44.4 -61.6 -45.8 14.1 -43.3 -37.0 83 91 A H H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.945 112.4 49.9 -61.7 -48.9 13.1 -42.3 -33.5 84 92 A R H X S+ 0 0 63 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.899 110.0 51.2 -65.2 -35.5 10.2 -44.8 -33.2 85 93 A H H X S+ 0 0 68 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.913 114.1 43.3 -65.2 -42.8 12.5 -47.7 -34.3 86 94 A R H >X S+ 0 0 27 -4,-1.8 4,-0.9 -5,-0.2 3,-0.5 0.876 111.1 55.9 -67.4 -39.2 15.2 -46.7 -31.7 87 95 A K H >X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 3,-0.5 0.889 98.5 61.4 -62.7 -37.8 12.5 -46.2 -29.0 88 96 A Q H 3X S+ 0 0 99 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.860 96.1 61.9 -56.2 -35.6 11.2 -49.7 -29.5 89 97 A M H << S+ 0 0 16 -4,-0.8 4,-0.4 -3,-0.5 -1,-0.2 0.906 109.0 40.4 -57.8 -44.7 14.7 -51.0 -28.5 90 98 A F H X< S+ 0 0 6 -4,-0.9 3,-1.3 -3,-0.5 4,-0.4 0.895 112.8 54.1 -69.7 -44.0 14.3 -49.4 -25.0 91 99 A M H >< S+ 0 0 12 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.879 98.5 63.3 -61.1 -38.2 10.6 -50.4 -24.6 92 100 A G T 3< S+ 0 0 45 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.731 96.4 61.1 -57.7 -22.7 11.3 -54.0 -25.3 93 101 A L T < S+ 0 0 10 -3,-1.3 2,-0.5 -4,-0.4 -1,-0.3 0.700 88.1 77.0 -71.7 -20.7 13.5 -54.0 -22.1 94 102 A M < + 0 0 23 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.148 55.8 146.0 -99.3 40.0 10.5 -53.1 -19.9 95 103 A T > - 0 0 58 -2,-0.5 4,-2.8 -3,-0.4 5,-0.3 -0.391 61.8-112.8 -70.0 152.5 8.6 -56.3 -19.4 96 104 A P H > S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.890 119.3 50.7 -50.3 -42.4 6.9 -56.9 -16.0 97 105 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 111.8 44.7 -63.7 -46.8 9.3 -59.8 -15.4 98 106 A R H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 112.5 51.9 -68.8 -35.1 12.4 -57.8 -16.3 99 107 A V H X S+ 0 0 13 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.936 110.5 48.8 -66.1 -42.3 11.3 -54.8 -14.2 100 108 A R H X S+ 0 0 133 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.907 107.8 55.4 -60.9 -42.9 10.7 -57.1 -11.2 101 109 A A H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 109.2 46.6 -58.3 -44.6 14.1 -58.6 -11.7 102 110 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.920 111.1 51.8 -63.1 -44.9 15.7 -55.1 -11.5 103 111 A A H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 110.4 49.3 -56.7 -43.3 13.7 -54.2 -8.4 104 112 A Q H X S+ 0 0 121 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.900 109.9 50.7 -64.8 -41.8 14.8 -57.5 -6.7 105 113 A L H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.900 109.9 51.0 -61.8 -40.4 18.5 -56.8 -7.5 106 114 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.908 107.7 51.0 -66.5 -42.8 18.1 -53.3 -6.1 107 115 A E H X S+ 0 0 58 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.934 111.4 49.7 -57.0 -45.2 16.6 -54.6 -2.8 108 116 A A H X S+ 0 0 52 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.918 112.8 46.2 -58.3 -47.0 19.5 -57.1 -2.5 109 117 A E H X S+ 0 0 28 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.896 111.8 50.9 -65.5 -41.6 22.1 -54.3 -3.1 110 118 A W H >X S+ 0 0 0 -4,-2.9 4,-1.2 2,-0.2 3,-0.9 0.974 112.4 46.6 -57.1 -54.1 20.4 -51.9 -0.7 111 119 A R H 3< S+ 0 0 96 -4,-2.9 3,-0.5 1,-0.3 -2,-0.2 0.880 110.4 54.0 -57.6 -39.5 20.4 -54.7 2.0 112 120 A R H 3< S+ 0 0 140 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.795 109.1 49.5 -59.8 -31.9 24.1 -55.4 1.2 113 121 A A H S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 106.3 52.4 -53.8 -41.0 26.1 -52.8 7.3 116 124 A G H > S+ 0 0 21 -3,-0.4 4,-1.5 -4,-0.3 -2,-0.2 0.891 109.6 48.9 -55.2 -44.2 28.4 -50.1 5.8 117 125 A W H X S+ 0 0 7 -4,-1.5 4,-0.8 -3,-0.3 286,-0.3 0.864 109.9 51.2 -65.7 -40.7 25.9 -47.4 6.8 118 126 A T H >< S+ 0 0 67 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.961 109.8 50.1 -60.0 -50.3 25.6 -48.8 10.3 119 127 A R H 3< S+ 0 0 201 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.790 105.8 56.8 -60.2 -30.8 29.4 -48.8 10.7 120 128 A K H 3< S- 0 0 123 -4,-1.5 2,-1.6 -5,-0.2 -1,-0.3 0.702 90.4-153.2 -72.7 -21.8 29.6 -45.1 9.5 121 129 A G S << S+ 0 0 29 -3,-1.3 281,-2.1 -4,-0.8 2,-0.3 -0.112 75.3 39.3 75.5 -42.6 27.2 -44.0 12.3 122 130 A E E S-E 401 0B 95 -2,-1.6 2,-0.3 279,-0.2 279,-0.2 -0.998 71.6-178.0-138.2 138.1 25.9 -41.1 10.2 123 131 A I E -E 400 0B 5 277,-2.6 277,-2.5 -2,-0.3 2,-0.8 -0.962 34.4-128.1-133.5 151.0 25.2 -41.0 6.4 124 132 A V E > -E 399 0B 44 -2,-0.3 4,-1.4 275,-0.2 275,-0.2 -0.914 31.3-151.9 -89.6 107.0 24.1 -38.6 3.7 125 133 A F H >> S+ 0 0 0 273,-2.8 4,-0.7 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46.5 -62.4 -43.9 31.3 -43.5 -23.1 183 191 A A H X S+ 0 0 40 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.927 114.8 47.9 -65.3 -41.9 34.7 -45.2 -23.5 184 192 A W H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.953 114.0 44.9 -61.7 -54.0 33.7 -47.8 -20.8 185 193 A A H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.871 110.9 55.5 -58.7 -37.5 30.3 -48.6 -22.3 186 194 A K H X S+ 0 0 73 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.910 105.2 51.2 -64.8 -41.4 31.8 -48.7 -25.8 187 195 A R H X S+ 0 0 136 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 109.9 51.8 -61.1 -36.1 34.3 -51.4 -24.6 188 196 A I H X S+ 0 0 13 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.962 110.9 46.1 -62.4 -52.9 31.3 -53.3 -23.2 189 197 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 114.1 49.2 -55.9 -45.3 29.4 -53.1 -26.6 190 198 A E H X S+ 0 0 89 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.886 110.5 49.8 -63.9 -38.7 32.6 -54.2 -28.4 191 199 A G H X>S+ 0 0 6 -4,-2.2 6,-1.7 2,-0.2 5,-1.6 0.854 110.3 50.1 -69.0 -37.8 33.2 -57.1 -26.1 192 200 A I H ><5S+ 0 0 6 -4,-2.3 3,-0.7 4,-0.2 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216 224 A D S < S+ 0 0 107 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.763 79.3 136.0 63.4 28.2 19.5 -53.7 -40.8 217 225 A D - 0 0 90 1,-0.0 -4,-2.9 3,-0.0 -1,-0.2 -0.866 58.4-116.7-106.3 141.0 22.8 -52.2 -39.6 218 226 A L B -G 212 0C 52 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.1 -0.376 42.3 -97.3 -61.1 149.6 24.2 -52.4 -36.1 219 227 A L - 0 0 7 -8,-0.8 -1,-0.1 -11,-0.3 -8,-0.0 -0.405 47.9 -97.1 -60.0 142.4 24.5 -49.1 -34.2 220 228 A S > - 0 0 65 1,-0.1 4,-2.8 -3,-0.1 5,-0.3 -0.327 40.3-108.4 -58.9 151.4 27.9 -47.6 -34.4 221 229 A P H > S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.884 118.3 51.7 -57.0 -37.4 29.8 -48.6 -31.2 222 230 A H H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 111.5 46.2 -63.9 -43.9 29.7 -45.0 -29.9 223 231 A V H > S+ 0 0 26 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 112.1 50.8 -65.7 -42.7 25.9 -44.7 -30.4 224 232 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.923 110.4 51.3 -57.8 -42.7 25.4 -48.1 -28.8 225 233 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.943 109.3 49.3 -59.1 -48.1 27.5 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