==== 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 3N6F . COMPND 2 MOLECULE: 'NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 807 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.4 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 . 6 0.7 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 . 50 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 27.5 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 3 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 . 9 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 . 7 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 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.3 9.1 -19.6 53.6 2 68 A P - 0 0 60 0, 0.0 2,-1.7 0, 0.0 4,-0.0 -0.243 360.0-132.2 -56.5 130.4 10.2 -18.3 50.1 3 69 A K S S+ 0 0 195 14,-0.1 14,-0.0 2,-0.1 3,-0.0 -0.215 78.4 84.8 -82.8 48.2 13.8 -16.9 50.2 4 70 A F S S- 0 0 82 -2,-1.7 15,-0.1 17,-0.0 0, 0.0 -0.940 95.8 -70.0-143.0 156.1 12.9 -13.7 48.3 5 71 A P - 0 0 14 0, 0.0 13,-2.5 0, 0.0 2,-0.4 -0.271 47.4-134.8 -54.6 126.9 11.4 -10.4 49.4 6 72 A R E -A 17 0A 60 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.732 20.6-161.1 -84.4 134.7 7.8 -10.7 50.6 7 73 A V E -A 16 0A 11 9,-3.5 9,-2.5 -2,-0.4 2,-0.4 -0.966 7.0-169.3-128.6 120.1 5.6 -7.9 49.2 8 74 A K E -A 15 0A 43 -2,-0.5 380,-2.4 7,-0.2 2,-0.6 -0.846 21.3-146.9-117.8 142.5 2.2 -7.0 50.7 9 75 A N B > -B 387 0B 2 5,-2.7 4,-1.8 -2,-0.4 5,-0.2 -0.930 13.0-163.0 -99.3 121.8 -0.7 -4.8 49.7 10 76 A W T 4 S+ 0 0 81 376,-3.2 377,-0.1 -2,-0.6 -1,-0.1 0.556 84.6 56.0 -88.3 -6.9 -2.1 -3.4 52.9 11 77 A E T 4 S+ 0 0 54 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.904 124.2 21.7 -82.9 -46.5 -5.5 -2.4 51.4 12 78 A L T 4 S- 0 0 127 2,-0.1 -2,-0.2 374,-0.1 -1,-0.1 0.547 96.6-127.5-102.5 -12.7 -6.3 -5.8 50.1 13 79 A G < + 0 0 44 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.503 57.7 147.0 79.0 5.2 -4.2 -8.0 52.3 14 80 A S - 0 0 63 -5,-0.2 -5,-2.7 -6,-0.0 2,-0.4 -0.458 32.3-153.4 -83.1 149.4 -2.6 -9.8 49.3 15 81 A I E +A 8 0A 70 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.923 16.2 170.8-124.1 139.5 1.0 -11.1 49.2 16 82 A T E -A 7 0A 50 -9,-2.5 -9,-3.5 -2,-0.4 2,-0.4 -0.902 24.4-133.3-134.6 171.0 3.6 -11.7 46.5 17 83 A Y E -A 6 0A 70 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.995 17.8-134.1-125.1 132.1 7.3 -12.6 46.5 18 84 A D + 0 0 5 -13,-2.5 347,-0.2 -2,-0.4 346,-0.1 -0.777 35.5 158.7 -92.7 112.9 9.7 -10.8 44.2 19 85 A T > + 0 0 58 345,-2.5 3,-1.2 -2,-0.8 4,-0.2 0.561 64.4 76.3-102.8 -16.3 12.0 -13.2 42.5 20 86 A L G > S+ 0 0 12 344,-1.3 3,-2.5 1,-0.2 4,-0.3 0.801 77.9 74.0 -64.6 -28.9 12.9 -10.8 39.7 21 87 A C G > S+ 0 0 4 1,-0.3 3,-1.2 343,-0.3 -1,-0.2 0.727 82.9 69.7 -60.6 -20.8 15.3 -8.8 42.0 22 88 A A G < S+ 0 0 42 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.714 89.7 63.1 -66.0 -22.2 17.7 -11.8 41.7 23 89 A Q G < S+ 0 0 120 -3,-2.5 -1,-0.2 -4,-0.2 2,-0.2 0.657 77.4 114.9 -75.2 -16.6 18.3 -10.7 38.1 24 90 A S < + 0 0 4 -3,-1.2 370,-0.2 -4,-0.3 -3,-0.0 -0.376 39.3 178.9 -63.5 121.7 19.7 -7.3 39.3 25 91 A Q + 0 0 157 368,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.078 59.7 67.8-114.0 32.3 23.4 -7.0 38.4 26 92 A Q S S- 0 0 73 367,-0.4 367,-0.7 411,-0.2 2,-0.2 -0.940 75.8-125.3-156.2 127.3 24.0 -3.5 39.8 27 93 A D - 0 0 113 -2,-0.3 410,-0.2 365,-0.1 365,-0.1 -0.458 17.4-151.3 -75.2 140.0 24.0 -2.2 43.4 28 94 A G - 0 0 31 408,-3.6 -1,-0.1 407,-0.2 410,-0.1 -0.185 38.3 -90.5 -85.8-166.0 21.8 0.7 44.7 29 95 A P S S+ 0 0 43 0, 0.0 2,-0.1 0, 0.0 408,-0.1 0.483 89.7 101.6 -90.4 -7.7 22.8 3.0 47.6 30 96 A C - 0 0 4 405,-0.3 5,-0.2 406,-0.2 -2,-0.1 -0.462 43.4-179.3 -78.4 150.0 21.2 1.1 50.5 31 97 A T - 0 0 43 3,-2.1 403,-0.4 -2,-0.1 401,-0.2 -0.873 46.8 -99.9-128.9 172.0 23.0 -1.2 53.0 32 98 A P S S+ 0 0 49 0, 0.0 400,-3.7 0, 0.0 402,-0.2 0.860 123.4 55.3 -55.5 -33.6 21.8 -3.2 56.0 33 99 A R S S+ 0 0 139 398,-0.2 765,-0.4 1,-0.2 2,-0.3 0.861 121.3 7.6 -68.8 -42.1 23.0 -0.3 58.2 34 100 A R - 0 0 36 763,-0.1 -3,-2.1 -3,-0.1 2,-0.5 -0.986 62.7-132.3-151.3 139.3 21.0 2.5 56.5 35 101 A C B +C 796 0C 21 761,-2.5 761,-2.0 -2,-0.3 3,-0.2 -0.765 18.4 176.6 -88.1 127.7 18.3 3.0 53.9 36 102 A L > + 0 0 9 -2,-0.5 3,-1.8 759,-0.2 -1,-0.1 -0.052 38.0 127.9-116.8 28.0 19.0 5.7 51.2 37 103 A G T 3 + 0 0 20 1,-0.3 -1,-0.1 759,-0.1 334,-0.1 0.742 67.1 57.3 -58.7 -27.3 15.9 5.0 49.2 38 104 A S T 3 S+ 0 0 23 756,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.411 76.6 112.3 -88.4 -0.1 14.8 8.7 49.3 39 105 A L < - 0 0 13 -3,-1.8 -3,-0.1 1,-0.2 372,-0.0 -0.638 57.6-151.4 -76.5 130.7 18.0 10.1 47.6 40 106 A V S S+ 0 0 37 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.0 0.911 85.5 34.3 -65.3 -46.6 17.3 11.5 44.2 41 107 A L - 0 0 36 -3,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.953 64.3-172.2-111.8 114.1 20.8 10.8 43.0 42 108 A P 0 0 71 0, 0.0 -6,-0.0 0, 0.0 0, 0.0 -0.908 360.0 360.0 -87.8 136.9 22.7 7.9 44.1 43 109 A R 0 0 215 -2,-0.5 -15,-0.0 -14,-0.0 -2,-0.0 0.207 360.0 360.0 -77.9 360.0 26.3 8.2 42.8 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 45 122 A A > 0 0 106 0, 0.0 4,-1.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -95.4 37.0 -5.3 28.5 46 123 A E H > + 0 0 163 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.748 360.0 63.3 -74.4 -27.3 35.6 -8.4 30.2 47 124 A Q H > S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.910 101.4 46.6 -64.2 -47.9 32.9 -6.1 31.7 48 125 A L H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.927 111.2 53.5 -59.9 -47.2 31.4 -5.2 28.3 49 126 A L H X S+ 0 0 34 -4,-1.1 4,-3.8 1,-0.2 5,-0.2 0.923 108.3 46.2 -59.7 -49.7 31.3 -8.8 27.1 50 127 A S H X S+ 0 0 48 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.819 115.5 48.1 -68.0 -29.6 29.4 -10.2 30.1 51 128 A Q H X S+ 0 0 62 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.862 114.9 45.9 -69.8 -40.9 26.9 -7.3 29.9 52 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.956 111.0 51.5 -66.3 -52.2 26.6 -7.9 26.2 53 130 A R H X S+ 0 0 96 -4,-3.8 4,-2.1 1,-0.2 -2,-0.2 0.888 111.3 49.8 -48.3 -44.3 26.2 -11.7 26.6 54 131 A D H X S+ 0 0 54 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.899 109.6 48.7 -67.1 -45.6 23.5 -11.0 29.2 55 132 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.914 110.9 50.9 -58.7 -44.7 21.5 -8.6 27.0 56 133 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.896 108.7 51.7 -62.7 -42.3 21.6 -11.1 24.0 57 134 A N H X S+ 0 0 65 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.4 51.1 -55.2 -44.2 20.4 -13.9 26.3 58 135 A Q H X S+ 0 0 44 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.881 110.3 49.5 -60.5 -39.9 17.5 -11.5 27.3 59 136 A Y H X S+ 0 0 27 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.941 112.4 44.9 -67.0 -49.3 16.8 -10.9 23.6 60 137 A Y H <>S+ 0 0 13 -4,-2.7 5,-2.9 1,-0.2 6,-0.4 0.844 111.5 54.3 -68.6 -31.3 16.7 -14.5 22.6 61 138 A S H ><5S+ 0 0 58 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.920 105.8 53.5 -58.1 -46.3 14.6 -15.4 25.7 62 139 A S H 3<5S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 113.4 41.3 -67.8 -24.8 12.0 -12.7 24.7 63 140 A I T 3<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.317 114.1-118.7-101.9 7.4 11.6 -14.3 21.2 64 141 A K T < 5S+ 0 0 155 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.772 82.1 116.7 64.4 32.7 11.7 -17.8 22.7 65 142 A R > < + 0 0 146 -5,-2.9 3,-1.4 -6,-0.1 2,-0.4 -0.137 35.3 154.6-119.7 34.4 14.8 -19.0 20.8 66 143 A S T 3 S+ 0 0 79 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.517 70.5 10.9 -69.7 115.7 16.9 -19.5 24.0 67 144 A G T 3 S+ 0 0 53 -2,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.220 95.3 134.5 100.0 -11.6 19.7 -22.1 23.3 68 145 A S S <> S- 0 0 33 -3,-1.4 4,-2.2 1,-0.1 -1,-0.3 -0.165 70.0-113.8 -67.1 162.1 19.2 -22.1 19.5 69 146 A Q H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.785 119.2 59.6 -72.7 -23.4 22.1 -21.9 17.2 70 147 A A H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 108.0 47.2 -64.2 -39.9 20.9 -18.4 16.0 71 148 A H H > S+ 0 0 8 -6,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.933 114.2 45.2 -61.8 -49.7 21.3 -17.5 19.7 72 149 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.836 112.9 51.6 -67.1 -33.2 24.8 -19.1 19.9 73 150 A E H X S+ 0 0 113 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.866 108.8 49.7 -71.4 -37.9 25.8 -17.5 16.6 74 151 A R H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 110.9 50.8 -63.6 -45.7 24.7 -14.0 17.7 75 152 A L H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 112.7 46.0 -51.9 -48.2 26.7 -14.6 20.9 76 153 A Q H X S+ 0 0 127 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.873 111.4 52.1 -64.5 -40.8 29.8 -15.6 18.8 77 154 A E H X S+ 0 0 91 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.828 109.1 50.8 -64.4 -35.7 29.3 -12.6 16.5 78 155 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.949 111.0 45.7 -70.6 -49.0 29.2 -10.2 19.5 79 156 A E H X S+ 0 0 68 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.792 110.8 54.0 -67.6 -26.8 32.4 -11.4 21.1 80 157 A A H X S+ 0 0 57 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.835 108.9 49.6 -73.6 -33.9 34.3 -11.4 17.8 81 158 A E H X S+ 0 0 55 -4,-1.3 4,-2.3 2,-0.2 6,-0.5 0.941 115.0 42.7 -65.2 -48.1 33.2 -7.8 17.3 82 159 A V H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.911 109.0 60.8 -64.8 -41.9 34.4 -6.9 20.8 83 160 A A H < S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 120.0 24.5 -49.5 -40.3 37.5 -9.0 20.2 84 161 A S H < S+ 0 0 101 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.604 135.9 25.8-109.7 -12.6 38.6 -6.8 17.3 85 162 A T H < S- 0 0 75 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.489 91.3-122.7-125.4 -8.9 37.0 -3.4 17.8 86 163 A G S < S+ 0 0 49 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.375 90.6 52.9 77.4 -5.8 36.5 -3.1 21.6 87 164 A T - 0 0 23 -6,-0.5 -2,-0.3 74,-0.0 2,-0.3 -0.871 66.3-152.5-143.7 176.7 32.8 -2.6 21.0 88 165 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.884 15.6-121.7-144.3 178.8 29.8 -4.1 19.1 89 166 A H - 0 0 92 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.971 19.0-121.4-132.3 143.2 26.5 -3.0 17.5 90 167 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.551 25.3-121.5 -80.8 141.0 22.9 -3.9 18.1 91 168 A R > - 0 0 109 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.432 35.8-104.2 -67.1 157.7 20.7 -5.3 15.4 92 169 A E H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.919 122.0 46.2 -52.5 -50.8 17.6 -3.1 14.7 93 170 A S H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.791 109.4 56.6 -68.0 -26.5 15.2 -5.5 16.5 94 171 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 106.6 49.5 -67.6 -39.0 17.6 -5.8 19.4 95 172 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.914 110.5 50.0 -64.5 -43.0 17.5 -1.9 19.8 96 173 A V H X S+ 0 0 45 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.934 113.4 46.2 -62.1 -47.0 13.7 -2.0 19.7 97 174 A F H X S+ 0 0 27 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 113.6 48.7 -59.3 -45.9 13.7 -4.7 22.4 98 175 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.875 108.5 52.0 -67.6 -40.2 16.2 -2.9 24.6 99 176 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.914 112.8 45.0 -62.1 -44.8 14.5 0.5 24.5 100 177 A K H X S+ 0 0 56 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.902 112.0 52.8 -64.6 -40.5 11.2 -1.1 25.6 101 178 A Q H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.892 105.8 54.2 -64.0 -39.1 13.0 -3.1 28.3 102 179 A A H X S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 296,-0.5 0.879 111.6 44.6 -60.2 -40.5 14.6 0.1 29.6 103 180 A W H >< S+ 0 0 34 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.951 113.0 51.0 -69.2 -47.5 11.2 1.7 30.0 104 181 A R H 3< S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.8 49.1 -52.1 -39.7 9.8 -1.5 31.5 105 182 A N H 3< S+ 0 0 3 -4,-2.4 289,-0.4 291,-0.2 -1,-0.3 0.541 79.7 115.5 -81.1 -9.4 12.7 -1.5 34.0 106 183 A A X< - 0 0 22 -3,-1.4 3,-1.7 -4,-0.5 6,-0.1 -0.493 48.6-164.1 -72.2 102.9 12.4 2.2 35.1 107 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.2 0, 0.0 -1,-0.2 0.781 83.9 55.7 -60.9 -26.2 11.5 2.1 38.8 108 185 A R T 3 S+ 0 0 80 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.412 85.5 97.8 -89.3 1.5 10.4 5.8 38.9 109 186 A C X - 0 0 37 -3,-1.7 3,-0.7 -6,-0.2 264,-0.1 -0.821 44.1-176.3-104.6 119.0 7.8 5.6 36.1 110 187 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.610 79.1 69.3 -81.1 -13.9 4.1 5.1 36.9 111 188 A G T > + 0 0 28 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.223 59.6 118.8 -90.4 18.3 3.1 4.9 33.2 112 189 A R G X + 0 0 0 -3,-0.7 3,-1.8 1,-0.3 4,-0.2 0.556 51.5 82.5 -70.3 -7.1 4.7 1.5 32.6 113 190 A I G 3 S+ 0 0 57 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.760 93.4 52.9 -61.3 -20.2 1.5 -0.3 31.7 114 191 A Q G X S+ 0 0 60 -3,-2.0 3,-2.5 1,-0.2 -1,-0.3 0.377 76.4 112.7 -92.7 2.9 2.1 1.3 28.2 115 192 A W T < S+ 0 0 59 -3,-1.8 -1,-0.2 1,-0.3 -11,-0.2 0.759 70.6 55.1 -53.8 -37.4 5.7 -0.1 28.0 116 193 A G T 3 S+ 0 0 42 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.606 98.6 69.2 -73.2 -11.5 5.0 -2.5 25.1 117 194 A K < + 0 0 146 -3,-2.5 2,-0.4 -17,-0.1 34,-0.2 -0.830 66.3 131.5-112.2 90.8 3.7 0.3 22.9 118 195 A L - 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