==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 25-MAY-10 3N6G . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 809 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 56 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 2 0 2 0 2 0 0 0 1 1 0 2 2 2 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 11 6 12 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 0 ANTIPARALLEL BRIDGES PER LADDER . 8 4 0 2 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 67 A G 0 0 98 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.2 9.0 -19.8 53.3 2 68 A P - 0 0 57 0, 0.0 2,-1.0 0, 0.0 4,-0.1 -0.280 360.0-134.8 -64.2 139.7 10.3 -18.2 50.0 3 69 A K S S+ 0 0 196 2,-0.1 14,-0.0 14,-0.1 3,-0.0 -0.219 79.7 81.1 -87.5 44.9 13.9 -16.7 50.1 4 70 A F S S- 0 0 80 -2,-1.0 15,-0.1 17,-0.0 0, 0.0 -0.942 96.5 -68.3-147.1 155.5 12.8 -13.5 48.3 5 71 A P - 0 0 11 0, 0.0 13,-2.3 0, 0.0 2,-0.4 -0.266 44.2-138.4 -53.9 124.6 11.2 -10.3 49.5 6 72 A R E -A 17 0A 48 11,-0.2 2,-0.4 -4,-0.1 11,-0.2 -0.747 20.8-159.7 -80.4 136.5 7.6 -10.7 50.6 7 73 A V E -A 16 0A 9 9,-3.4 9,-2.2 -2,-0.4 2,-0.4 -0.977 6.3-163.6-127.8 124.5 5.5 -7.8 49.2 8 74 A K E -A 15 0A 49 -2,-0.4 381,-2.4 7,-0.2 2,-0.6 -0.865 19.9-149.1-121.0 141.7 2.2 -6.8 50.7 9 75 A N B > -B 388 0B 2 5,-2.8 4,-1.6 -2,-0.4 5,-0.4 -0.922 12.7-164.1 -99.0 117.8 -0.8 -4.7 49.7 10 76 A W T 4 S+ 0 0 81 377,-3.0 378,-0.1 -2,-0.6 -1,-0.1 0.588 84.2 55.6 -84.6 -9.1 -2.3 -3.3 52.8 11 77 A E T 4 S+ 0 0 57 376,-0.2 -1,-0.2 373,-0.2 377,-0.1 0.911 123.3 22.7 -80.2 -45.8 -5.6 -2.3 51.3 12 78 A L T 4 S- 0 0 125 2,-0.1 -2,-0.2 375,-0.1 -1,-0.1 0.443 97.0-126.2-106.3 -6.4 -6.4 -5.8 50.0 13 79 A G < + 0 0 46 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.590 59.3 147.3 70.7 12.7 -4.3 -8.0 52.3 14 80 A S - 0 0 61 -5,-0.4 -5,-2.8 1,-0.0 2,-0.3 -0.534 31.8-152.8 -91.2 154.0 -2.7 -9.7 49.3 15 81 A I E +A 8 0A 73 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.915 16.3 169.1-132.4 138.8 0.8 -11.0 49.1 16 82 A T E -A 7 0A 48 -9,-2.2 -9,-3.4 -2,-0.3 2,-0.4 -0.960 25.1-132.1-141.9 163.5 3.6 -11.7 46.5 17 83 A Y E -A 6 0A 64 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.972 18.2-135.9-116.5 133.9 7.3 -12.5 46.4 18 84 A D + 0 0 5 -13,-2.3 348,-0.2 -2,-0.4 347,-0.1 -0.800 34.7 159.4 -92.9 108.8 9.6 -10.6 44.2 19 85 A T > + 0 0 62 346,-2.2 3,-1.5 -2,-0.9 347,-0.2 0.621 64.3 75.9 -95.8 -20.7 12.0 -13.1 42.5 20 86 A L G > S+ 0 0 11 345,-1.5 3,-2.6 1,-0.3 4,-0.2 0.787 77.9 73.7 -61.2 -29.7 12.9 -10.7 39.7 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.3 344,-0.3 -1,-0.3 0.702 82.3 71.5 -61.6 -18.6 15.2 -8.8 42.0 22 88 A A G < S+ 0 0 48 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.675 87.4 64.5 -67.9 -18.9 17.6 -11.8 41.7 23 89 A Q G < S+ 0 0 122 -3,-2.6 -1,-0.2 -4,-0.2 2,-0.2 0.519 75.5 119.2 -82.6 -7.8 18.3 -10.6 38.1 24 90 A S < + 0 0 3 -3,-1.3 371,-0.2 -4,-0.2 3,-0.0 -0.443 35.8 177.3 -65.1 123.8 19.9 -7.4 39.4 25 91 A Q + 0 0 143 369,-0.6 2,-0.4 -2,-0.2 -1,-0.1 0.348 62.1 67.3-104.2 2.4 23.6 -6.9 38.4 26 92 A Q B S-C 394 0C 75 368,-0.7 368,-0.7 412,-0.1 2,-0.2 -0.984 75.5-126.3-136.9 135.5 24.0 -3.5 39.9 27 93 A D - 0 0 109 -2,-0.4 411,-0.2 366,-0.1 366,-0.1 -0.521 17.2-152.7 -81.0 137.9 24.0 -2.1 43.5 28 94 A G - 0 0 29 409,-3.6 -1,-0.1 -2,-0.2 411,-0.1 -0.191 38.8 -89.0 -88.2-167.3 21.8 0.7 44.7 29 95 A P S S+ 0 0 40 0, 0.0 2,-0.1 0, 0.0 409,-0.1 0.543 90.3 99.1 -85.7 -10.8 22.6 3.1 47.6 30 96 A C + 0 0 3 406,-0.3 5,-0.2 407,-0.2 -2,-0.1 -0.355 42.0 176.9 -83.1 157.4 21.1 1.1 50.5 31 97 A T - 0 0 41 3,-1.8 404,-0.4 405,-0.2 3,-0.2 -0.909 49.4 -96.4-142.6 169.0 22.9 -1.2 53.0 32 98 A P S S+ 0 0 49 0, 0.0 401,-3.9 0, 0.0 403,-0.2 0.846 123.2 56.5 -55.8 -32.4 21.6 -3.2 56.1 33 99 A R S S+ 0 0 156 399,-0.2 767,-0.4 1,-0.2 2,-0.3 0.887 120.3 5.2 -67.3 -44.2 22.8 -0.2 58.2 34 100 A R - 0 0 34 -3,-0.2 -3,-1.8 765,-0.1 2,-0.5 -0.992 62.4-129.1-152.1 140.7 20.8 2.6 56.5 35 101 A C B +D 798 0D 19 763,-2.4 763,-1.6 -2,-0.3 3,-0.2 -0.750 20.1 176.3 -87.8 126.4 18.2 3.1 53.9 36 102 A L > + 0 0 11 -2,-0.5 3,-1.7 761,-0.2 -1,-0.1 0.069 40.1 123.5-117.6 25.3 19.0 5.7 51.3 37 103 A G T 3 + 0 0 19 1,-0.3 335,-0.2 761,-0.1 -1,-0.1 0.644 65.8 59.3 -66.0 -19.8 15.9 5.1 49.2 38 104 A S T 3 S+ 0 0 21 758,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.505 77.6 113.3 -89.7 -3.8 14.7 8.7 49.3 39 105 A L < - 0 0 11 -3,-1.7 -3,-0.0 1,-0.1 373,-0.0 -0.535 57.9-151.7 -72.3 129.2 17.8 10.2 47.6 40 106 A V S S+ 0 0 37 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.936 88.5 37.5 -66.3 -48.5 17.2 11.6 44.2 41 107 A L S S- 0 0 45 -3,-0.1 2,-0.3 360,-0.0 -1,-0.3 -0.886 80.0-148.5-108.5 102.4 20.7 10.9 43.0 42 108 A P 0 0 67 0, 0.0 -5,-0.0 0, 0.0 -2,-0.0 -0.557 360.0 360.0 -61.6 126.0 22.2 7.7 44.2 43 109 A R 0 0 247 -2,-0.3 -15,-0.0 368,-0.1 0, 0.0 0.998 360.0 360.0 -57.7 360.0 26.0 8.2 44.6 44 ! 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 45 121 A P > 0 0 133 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-153.6 37.1 -2.8 30.0 46 122 A A H > + 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 360.0 52.0 -71.9 -45.6 36.7 -5.9 27.8 47 123 A E H > S+ 0 0 169 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 114.1 44.5 -50.5 -49.1 35.8 -8.3 30.6 48 124 A Q H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.892 113.1 47.5 -71.3 -46.0 33.1 -6.0 31.9 49 125 A L H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.929 110.9 52.9 -60.9 -47.8 31.5 -5.1 28.5 50 126 A L H X S+ 0 0 26 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.904 106.8 49.4 -59.5 -48.4 31.3 -8.7 27.3 51 127 A S H X S+ 0 0 50 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.862 113.8 47.7 -62.6 -35.1 29.5 -10.1 30.4 52 128 A Q H X S+ 0 0 47 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.873 113.7 47.9 -69.2 -40.3 26.9 -7.2 30.1 53 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.911 110.2 50.8 -64.3 -46.6 26.6 -7.9 26.4 54 130 A R H X S+ 0 0 101 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.882 111.2 50.6 -59.4 -39.0 26.2 -11.7 26.8 55 131 A D H X S+ 0 0 42 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.898 110.7 46.6 -69.7 -42.9 23.5 -11.0 29.4 56 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.929 110.5 52.9 -65.8 -43.3 21.6 -8.6 27.2 57 133 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.897 108.6 51.1 -58.1 -40.7 21.8 -11.0 24.2 58 134 A N H X S+ 0 0 64 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.911 108.7 50.9 -60.2 -43.3 20.4 -13.8 26.5 59 135 A Q H X S+ 0 0 39 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.869 111.8 49.2 -60.4 -36.0 17.6 -11.5 27.5 60 136 A Y H X S+ 0 0 28 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.960 112.7 44.2 -70.5 -50.6 17.0 -10.9 23.7 61 137 A Y H <>S+ 0 0 18 -4,-3.0 5,-3.2 1,-0.2 6,-0.4 0.831 111.8 54.4 -65.7 -32.0 16.9 -14.5 22.8 62 138 A S H ><5S+ 0 0 61 -4,-2.8 3,-1.5 3,-0.2 -1,-0.2 0.897 104.9 55.1 -59.8 -41.9 14.7 -15.4 25.8 63 139 A S H 3<5S+ 0 0 57 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.711 112.3 40.5 -73.4 -23.6 12.2 -12.8 24.7 64 140 A I T 3<5S- 0 0 72 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.162 115.3-118.0-102.0 12.1 11.8 -14.3 21.2 65 141 A K T < 5S+ 0 0 160 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.798 83.1 116.8 59.3 36.0 11.9 -17.8 22.8 66 142 A R > < + 0 0 143 -5,-3.2 3,-1.6 -6,-0.1 6,-0.4 -0.082 34.4 150.9-120.9 30.7 15.1 -18.9 21.0 67 143 A S T 3 S+ 0 0 77 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.495 70.2 14.2 -71.8 124.9 17.1 -19.3 24.1 68 144 A G T 3 S+ 0 0 51 -2,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.204 98.1 132.0 96.2 -12.8 19.8 -22.0 23.6 69 145 A S S <> S- 0 0 36 -3,-1.6 4,-2.2 1,-0.1 -1,-0.3 -0.065 72.7-109.9 -70.4 169.3 19.4 -22.1 19.8 70 146 A Q H > S+ 0 0 145 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.837 121.1 56.6 -70.1 -28.8 22.1 -21.9 17.2 71 147 A A H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 108.9 48.3 -65.7 -39.8 21.0 -18.4 16.2 72 148 A H H > S+ 0 0 9 -6,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.902 113.5 45.1 -61.7 -47.5 21.5 -17.4 19.9 73 149 A E H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.828 112.5 52.3 -69.7 -32.7 25.0 -19.0 20.1 74 150 A E H X S+ 0 0 99 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 109.0 49.0 -71.9 -38.7 26.0 -17.5 16.7 75 151 A R H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 110.2 52.2 -63.8 -41.5 25.0 -14.0 17.9 76 152 A L H X S+ 0 0 22 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.917 111.3 46.6 -58.1 -45.6 27.0 -14.5 21.1 77 153 A Q H X S+ 0 0 125 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.830 112.1 50.8 -65.6 -36.6 30.1 -15.5 19.0 78 154 A E H X S+ 0 0 86 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.904 108.8 51.6 -68.7 -41.8 29.5 -12.5 16.7 79 155 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.925 112.8 44.0 -62.8 -47.7 29.3 -10.1 19.7 80 156 A E H X S+ 0 0 66 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.841 111.6 53.5 -65.6 -35.1 32.6 -11.4 21.3 81 157 A A H X S+ 0 0 58 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.877 109.7 48.9 -68.4 -37.1 34.4 -11.4 18.0 82 158 A E H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 6,-0.5 0.919 113.7 45.0 -64.4 -45.0 33.4 -7.7 17.5 83 159 A V H X S+ 0 0 9 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.849 108.1 61.5 -67.8 -32.3 34.5 -6.8 21.0 84 160 A A H < S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 116.7 26.7 -60.9 -40.3 37.7 -8.8 20.3 85 161 A S H < S+ 0 0 103 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.796 135.9 23.7 -97.2 -28.0 38.8 -6.6 17.4 86 162 A T H < S- 0 0 77 -4,-2.3 -3,-0.2 2,-0.4 -2,-0.1 0.533 92.2-121.1-116.1 -11.7 37.3 -3.2 18.1 87 163 A G S < S+ 0 0 44 -4,-1.4 2,-0.2 -5,-0.4 -4,-0.2 0.281 91.0 49.9 85.5 -12.2 36.7 -3.0 21.8 88 164 A T - 0 0 23 -6,-0.5 -2,-0.4 74,-0.0 -1,-0.3 -0.757 66.5-153.2-138.5-177.0 32.9 -2.5 21.2 89 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.908 15.2-120.9-150.6-178.3 30.0 -4.0 19.2 90 166 A H - 0 0 93 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.970 19.7-119.6-134.3 147.7 26.7 -2.8 17.7 91 167 A L - 0 0 8 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.500 24.6-118.7 -83.3 149.3 23.1 -3.9 18.1 92 168 A R > - 0 0 109 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.498 36.3-105.1 -73.1 157.9 20.9 -5.2 15.4 93 169 A E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.916 121.2 45.5 -48.3 -52.4 17.8 -3.1 14.7 94 170 A S H > S+ 0 0 44 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.780 109.1 56.7 -71.2 -27.1 15.4 -5.4 16.5 95 171 A E H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.866 106.9 49.3 -66.2 -38.1 17.7 -5.8 19.5 96 172 A L H X S+ 0 0 2 -4,-2.0 4,-3.1 -3,-0.3 5,-0.3 0.936 109.4 51.3 -66.9 -46.0 17.7 -1.9 19.9 97 173 A V H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 114.2 45.1 -54.9 -47.6 13.8 -1.9 19.7 98 174 A F H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 113.0 49.7 -63.5 -46.0 13.8 -4.6 22.4 99 175 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 109.7 50.9 -60.5 -48.4 16.5 -2.9 24.6 100 176 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.893 112.6 45.5 -54.7 -46.5 14.7 0.5 24.5 101 177 A K H X S+ 0 0 55 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.903 112.5 51.7 -65.9 -36.2 11.3 -1.0 25.6 102 178 A Q H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.849 105.1 55.3 -73.2 -34.4 13.0 -3.0 28.3 103 179 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 296,-0.5 0.871 111.1 45.2 -60.6 -40.0 14.8 0.1 29.6 104 180 A W H >< S+ 0 0 36 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.962 113.1 49.5 -69.1 -51.3 11.4 1.8 30.0 105 181 A R H 3< S+ 0 0 28 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.827 111.4 51.6 -51.4 -36.7 9.9 -1.4 31.5 106 182 A N H 3< S+ 0 0 4 -4,-2.1 289,-0.4 291,-0.2 -1,-0.2 0.665 79.9 113.4 -78.9 -14.1 12.9 -1.5 33.9 107 183 A A X< - 0 0 22 -3,-1.3 3,-1.7 -4,-0.7 6,-0.1 -0.409 49.4-164.5 -68.4 103.2 12.5 2.2 35.1 108 184 A P T 3 S+ 0 0 34 0, 0.0 262,-2.4 0, 0.0 -1,-0.2 0.752 83.7 55.6 -63.8 -20.9 11.6 2.1 38.8 109 185 A R T 3 S+ 0 0 78 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.444 85.3 96.0 -93.3 -2.3 10.5 5.8 38.9 110 186 A C < - 0 0 37 -3,-1.7 3,-0.5 -6,-0.2 264,-0.1 -0.815 44.7-176.0-101.3 124.5 7.9 5.6 36.1 111 187 A V S S+ 0 0 21 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.511 77.6 71.3 -87.7 -9.5 4.2 5.1 36.8 112 188 A G > + 0 0 29 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.218 59.5 117.7 -94.8 17.0 3.2 5.0 33.2 113 189 A R G > + 0 0 0 -3,-0.5 3,-1.8 1,-0.3 4,-0.2 0.533 48.8 84.5 -72.7 -6.1 4.7 1.5 32.5 114 190 A I G 3 S+ 0 0 61 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.823 94.6 53.1 -58.4 -21.7 1.5 -0.3 31.6 115 191 A Q G X S+ 0 0 59 -3,-1.8 3,-3.0 1,-0.2 -1,-0.3 0.454 74.5 111.8 -89.6 -1.1 2.3 1.3 28.2 116 192 A W T < S+ 0 0 59 -3,-1.8 -1,-0.2 1,-0.3 -11,-0.2 0.745 72.2 56.3 -50.6 -36.8 5.9 -0.1 27.9 117 193 A G T 3 S+ 0 0 43 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.548 98.4 67.7 -73.4 -7.3 5.1 -2.5 25.1 118 194 A K < + 0 0 153 -3,-3.0 2,-0.4 -17,-0.1 34,-0.3 -0.803 66.4 131.0-118.7 84.2 3.9 0.4 22.9 119 195 A L - 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