==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-APR-13 4K5I . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.LI,T.L.POULOS . 810 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.6 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 . 63 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 2 0 0 2 3 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 10 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 95 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-151.7 8.2 -18.7 53.4 2 68 A P - 0 0 58 0, 0.0 2,-1.5 0, 0.0 4,-0.0 -0.448 360.0-118.3 -65.0 146.7 10.2 -18.1 50.1 3 69 A K S S+ 0 0 193 -2,-0.1 14,-0.0 2,-0.1 3,-0.0 -0.412 84.8 91.7 -86.9 59.3 13.6 -16.5 50.4 4 70 A F S S- 0 0 84 -2,-1.5 15,-0.1 17,-0.0 2,-0.0 -0.945 94.5 -72.1-142.9 156.8 12.7 -13.5 48.4 5 71 A P - 0 0 14 0, 0.0 13,-2.4 0, 0.0 2,-0.5 -0.326 47.1-137.1 -54.7 129.5 11.3 -10.1 49.5 6 72 A R E -A 17 0A 92 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.802 18.7-159.0 -88.6 131.0 7.7 -10.5 50.6 7 73 A V E -A 16 0A 9 9,-3.5 9,-2.3 -2,-0.5 2,-0.4 -0.951 5.3-162.2-119.9 121.6 5.5 -7.7 49.3 8 74 A K E -A 15 0A 59 -2,-0.5 381,-2.3 7,-0.2 2,-0.6 -0.829 16.3-151.4-108.5 138.5 2.2 -6.7 50.9 9 75 A N B > -B 388 0B 1 5,-3.0 4,-1.8 -2,-0.4 5,-0.2 -0.937 12.4-164.5 -97.9 118.6 -0.8 -4.7 49.6 10 76 A W T 4 S+ 0 0 81 377,-3.4 378,-0.1 -2,-0.6 -1,-0.1 0.700 83.8 54.6 -79.8 -21.0 -2.4 -3.3 52.8 11 77 A E T 4 S+ 0 0 57 376,-0.4 -1,-0.2 373,-0.2 377,-0.1 0.937 123.1 25.0 -71.9 -46.8 -5.7 -2.3 51.1 12 78 A L T 4 S- 0 0 122 375,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.622 97.4-127.7 -97.8 -16.5 -6.4 -5.8 49.7 13 79 A G < + 0 0 45 -4,-1.8 -3,-0.1 1,-0.3 2,-0.1 0.450 59.1 144.7 83.1 3.5 -4.4 -7.9 52.2 14 80 A S - 0 0 59 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.436 34.9-152.6 -86.1 150.4 -2.6 -9.7 49.4 15 81 A I E +A 8 0A 62 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.935 14.8 172.4-121.2 138.2 1.0 -11.0 49.3 16 82 A T E -A 7 0A 48 -9,-2.3 -9,-3.5 -2,-0.4 2,-0.4 -0.906 23.7-135.0-132.9 166.5 3.5 -11.6 46.5 17 83 A Y E -A 6 0A 52 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.989 17.4-134.3-120.5 132.1 7.2 -12.4 46.5 18 84 A D + 0 0 4 -13,-2.4 348,-0.2 -2,-0.4 347,-0.1 -0.774 33.8 162.1 -89.2 114.4 9.6 -10.6 44.2 19 85 A T > + 0 0 60 346,-2.5 3,-1.0 -2,-0.8 347,-0.2 0.530 65.1 75.0-101.0 -11.8 11.9 -13.1 42.5 20 86 A L G > S+ 0 0 11 345,-1.3 3,-3.3 1,-0.2 4,-0.2 0.844 77.2 73.4 -70.8 -33.4 13.0 -10.7 39.7 21 87 A C G > S+ 0 0 6 1,-0.3 3,-1.6 344,-0.3 -1,-0.2 0.737 82.8 73.1 -53.6 -24.4 15.3 -8.7 42.0 22 88 A A G < S+ 0 0 41 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.756 88.4 61.2 -55.1 -28.3 17.5 -11.8 41.7 23 89 A Q G < S+ 0 0 116 -3,-3.3 2,-0.3 -4,-0.2 -1,-0.2 0.493 77.6 115.2 -82.5 -5.7 18.3 -10.6 38.2 24 90 A S < + 0 0 1 -3,-1.6 371,-0.2 -4,-0.2 3,-0.0 -0.529 34.7 173.1 -68.7 125.9 19.8 -7.3 39.5 25 91 A Q + 0 0 151 369,-0.5 2,-0.5 -2,-0.3 -1,-0.1 0.413 60.3 75.2-105.7 -5.9 23.5 -7.1 38.7 26 92 A Q B S-C 394 0C 84 368,-0.7 368,-0.7 412,-0.1 2,-0.1 -0.946 76.2-128.9-123.9 123.6 23.8 -3.5 39.9 27 93 A D - 0 0 111 -2,-0.5 411,-0.2 366,-0.1 366,-0.1 -0.361 16.0-150.1 -68.0 141.3 23.9 -2.2 43.5 28 94 A G - 0 0 30 409,-4.1 -1,-0.1 2,-0.2 411,-0.1 -0.279 36.0 -93.3 -91.0-170.1 21.6 0.6 44.8 29 95 A P S S+ 0 0 44 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.377 89.1 100.7 -89.9 -1.4 22.5 3.0 47.6 30 96 A C - 0 0 3 406,-0.3 5,-0.2 407,-0.2 -2,-0.2 -0.611 43.9-179.7 -91.2 148.0 20.9 1.1 50.6 31 97 A T - 0 0 46 3,-2.0 3,-0.4 -2,-0.2 404,-0.4 -0.882 46.4 -97.5-130.5 168.5 22.7 -1.1 53.1 32 98 A P S S+ 0 0 47 0, 0.0 401,-4.2 0, 0.0 403,-0.2 0.823 123.7 51.4 -49.3 -33.3 21.5 -3.1 56.2 33 99 A R S S+ 0 0 114 1,-0.2 768,-0.4 399,-0.2 2,-0.3 0.815 121.1 13.9 -81.7 -33.3 22.5 -0.2 58.4 34 100 A R - 0 0 39 -3,-0.4 -3,-2.0 766,-0.1 2,-0.6 -0.969 61.6-137.3-152.7 133.7 20.7 2.7 56.5 35 101 A C B +D 799 0D 17 764,-2.8 764,-2.2 -2,-0.3 3,-0.2 -0.799 16.9 177.1 -90.0 122.9 18.0 3.1 53.9 36 102 A L > + 0 0 11 -2,-0.6 3,-1.3 762,-0.2 -1,-0.1 -0.095 39.9 125.3-112.7 27.3 18.7 5.8 51.3 37 103 A G T 3 + 0 0 21 1,-0.2 -1,-0.2 762,-0.1 335,-0.1 0.785 68.2 56.9 -59.5 -31.6 15.5 5.2 49.3 38 104 A S T 3 S+ 0 0 21 759,-0.5 2,-0.3 -3,-0.2 -1,-0.2 0.572 79.1 111.1 -80.3 -10.7 14.4 8.8 49.5 39 105 A L < - 0 0 11 -3,-1.3 373,-0.1 758,-0.2 -3,-0.1 -0.510 58.8-152.1 -66.1 125.2 17.6 10.2 47.9 40 106 A V S S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.932 87.5 14.6 -64.2 -49.9 16.9 11.6 44.3 41 107 A L S S- 0 0 83 360,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.903 75.6-160.7-125.3 102.4 20.5 11.0 43.0 42 108 A P 0 0 56 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.630 360.0 360.0 -75.1 143.9 22.6 8.6 45.1 43 109 A R 0 0 218 -2,-0.3 0, 0.0 368,-0.1 0, 0.0 0.876 360.0 360.0 -79.4 360.0 26.3 9.1 44.3 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 0 129 0, 0.0 3,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -21.9 35.9 -1.8 29.7 46 122 A A T 3> + 0 0 76 41,-0.3 4,-1.2 1,-0.2 3,-0.2 -0.611 360.0 1.4 80.6-119.2 37.2 -5.2 28.5 47 123 A E H 3> S+ 0 0 135 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.741 124.8 70.4 -74.7 -26.4 35.5 -8.4 29.9 48 124 A Q H <> S+ 0 0 109 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.898 101.6 44.3 -55.0 -44.6 33.2 -6.1 31.9 49 125 A L H > S+ 0 0 9 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.929 109.9 55.4 -65.2 -48.8 31.5 -5.1 28.6 50 126 A L H X S+ 0 0 27 -4,-1.2 4,-3.1 1,-0.2 -2,-0.2 0.860 106.7 49.1 -58.2 -38.9 31.4 -8.7 27.3 51 127 A S H X S+ 0 0 39 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.869 113.2 46.8 -74.9 -33.8 29.5 -10.0 30.3 52 128 A Q H X S+ 0 0 61 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.911 114.6 48.6 -64.4 -43.8 27.0 -7.2 30.1 53 129 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.935 111.5 48.8 -60.3 -47.8 26.7 -7.9 26.3 54 130 A R H X S+ 0 0 91 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.917 111.7 49.3 -61.1 -44.3 26.3 -11.6 26.9 55 131 A D H X S+ 0 0 51 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.880 112.5 47.3 -64.1 -41.7 23.6 -11.1 29.5 56 132 A F H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 110.6 51.1 -63.3 -44.2 21.7 -8.7 27.2 57 133 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.906 109.5 52.7 -61.6 -38.6 22.0 -11.1 24.2 58 134 A N H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.885 108.3 50.3 -60.5 -40.5 20.6 -13.8 26.5 59 135 A Q H X S+ 0 0 46 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.879 110.5 49.5 -64.0 -41.7 17.7 -11.5 27.4 60 136 A Y H X S+ 0 0 27 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.951 112.1 46.3 -60.8 -51.5 17.0 -10.8 23.7 61 137 A Y H ><>S+ 0 0 11 -4,-2.5 5,-3.4 1,-0.2 3,-0.5 0.876 112.1 51.4 -66.0 -36.7 17.0 -14.5 22.8 62 138 A S H ><5S+ 0 0 56 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.890 106.1 55.9 -57.0 -43.5 14.7 -15.4 25.8 63 139 A S H 3<5S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.666 114.6 37.3 -71.7 -16.3 12.3 -12.7 24.8 64 140 A I T <<5S- 0 0 69 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.253 116.8-117.3-111.1 7.4 11.9 -14.2 21.3 65 141 A K T < 5S+ 0 0 160 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.828 81.1 116.4 63.8 40.6 12.1 -17.8 22.8 66 142 A R > < + 0 0 143 -5,-3.4 3,-1.5 -6,-0.1 6,-0.4 -0.086 32.8 152.8-125.0 34.5 15.3 -19.0 21.1 67 143 A S T 3 S+ 0 0 65 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.503 73.6 12.9 -69.4 129.8 17.6 -19.4 24.2 68 144 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 -10,-0.0 0.261 99.3 135.4 86.6 -10.5 20.2 -22.1 23.6 69 145 A S S <> S- 0 0 35 -3,-1.5 4,-2.3 1,-0.1 -1,-0.3 -0.146 71.6-109.8 -66.3 166.7 19.5 -22.1 19.9 70 146 A Q H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 120.4 53.2 -66.6 -37.4 22.1 -22.0 17.2 71 147 A A H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 109.1 50.1 -65.1 -35.7 21.2 -18.4 16.3 72 148 A H H > S+ 0 0 9 -6,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.922 112.0 46.5 -65.9 -47.4 21.6 -17.4 19.9 73 149 A E H X S+ 0 0 95 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.835 112.4 51.1 -66.6 -33.8 25.1 -19.1 20.1 74 150 A E H X S+ 0 0 91 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.865 109.0 50.0 -72.2 -35.9 26.2 -17.5 16.8 75 151 A R H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.935 109.1 52.3 -66.1 -44.3 25.1 -14.0 18.0 76 152 A L H X S+ 0 0 20 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.930 111.7 46.6 -52.2 -49.6 27.1 -14.5 21.2 77 153 A Q H X S+ 0 0 125 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.861 109.9 53.5 -62.0 -43.2 30.1 -15.4 19.1 78 154 A E H X S+ 0 0 93 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.856 109.6 48.8 -56.1 -42.9 29.6 -12.5 16.8 79 155 A V H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.926 111.7 46.5 -69.8 -45.8 29.5 -10.1 19.8 80 156 A E H X S+ 0 0 71 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.870 113.9 49.6 -68.0 -32.8 32.7 -11.4 21.4 81 157 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.911 111.5 48.5 -64.4 -45.9 34.5 -11.4 18.1 82 158 A E H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 6,-0.4 0.924 117.6 41.0 -63.9 -43.4 33.4 -7.8 17.4 83 159 A V H X S+ 0 0 14 -4,-2.9 4,-3.4 3,-0.2 -2,-0.2 0.972 109.0 62.2 -66.0 -51.3 34.5 -6.8 20.9 84 160 A A H < S+ 0 0 86 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.842 118.2 25.9 -37.7 -50.5 37.7 -8.9 20.6 85 161 A S H < S+ 0 0 101 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.728 135.2 27.8 -94.8 -22.5 38.9 -6.9 17.7 86 162 A T H < S- 0 0 72 -4,-2.1 -3,-0.2 2,-0.3 -2,-0.2 0.522 90.5-125.4-117.7 -8.4 37.3 -3.4 18.2 87 163 A G S < S+ 0 0 43 -4,-3.4 -41,-0.3 -5,-0.3 2,-0.2 0.146 89.2 51.7 81.9 -21.9 36.8 -3.1 21.9 88 164 A T - 0 0 21 -6,-0.4 -2,-0.3 -5,-0.1 2,-0.3 -0.714 68.3-151.3-128.6-179.6 33.0 -2.4 21.3 89 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.899 12.7-122.2-143.4-177.0 30.1 -4.0 19.5 90 166 A H - 0 0 93 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.962 18.6-122.3-132.2 147.0 26.9 -2.9 17.7 91 167 A L - 0 0 8 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.624 22.2-122.6 -87.4 140.3 23.2 -3.8 18.2 92 168 A R > - 0 0 103 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.418 37.0-105.7 -65.7 157.8 20.9 -5.3 15.4 93 169 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.903 121.5 48.5 -55.7 -47.1 17.9 -3.2 14.8 94 170 A S H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 108.6 55.3 -69.2 -28.3 15.5 -5.5 16.6 95 171 A E H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.916 107.7 49.4 -66.4 -42.5 17.9 -5.7 19.6 96 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.925 111.3 48.7 -59.5 -46.8 17.9 -1.9 19.9 97 173 A V H X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.936 114.5 45.7 -60.4 -48.4 14.0 -1.9 19.8 98 174 A F H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.919 113.6 49.9 -60.0 -46.0 13.8 -4.7 22.4 99 175 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.877 109.3 50.3 -64.9 -40.6 16.5 -2.9 24.6 100 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.907 112.5 46.9 -61.8 -45.0 14.7 0.5 24.5 101 177 A K H X S+ 0 0 57 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.930 113.1 49.3 -63.1 -44.0 11.4 -1.1 25.5 102 178 A Q H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.863 105.1 58.4 -65.3 -36.2 13.1 -3.0 28.3 103 179 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 296,-0.5 0.933 111.5 42.1 -56.2 -45.7 14.8 0.1 29.5 104 180 A W H >< S+ 0 0 36 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.932 112.0 52.4 -66.5 -46.5 11.4 1.7 30.0 105 181 A R H 3< S+ 0 0 28 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.4 50.7 -55.3 -36.2 9.9 -1.5 31.5 106 182 A N T 3< S+ 0 0 5 -4,-2.6 289,-0.4 291,-0.2 -1,-0.3 0.586 77.6 114.7 -77.6 -10.8 12.8 -1.4 33.9 107 183 A A X - 0 0 20 -3,-1.4 3,-1.8 -4,-0.5 6,-0.1 -0.482 48.4-165.3 -74.4 104.2 12.4 2.2 35.0 108 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.7 0, 0.0 -1,-0.2 0.713 84.8 53.3 -64.8 -21.3 11.5 2.1 38.8 109 185 A R T 3 S+ 0 0 49 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.461 85.6 97.8 -93.0 -1.7 10.3 5.7 38.9 110 186 A C X - 0 0 37 -3,-1.8 3,-0.7 -6,-0.2 264,-0.1 -0.789 45.6-174.7 -97.6 118.1 7.9 5.6 36.0 111 187 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.544 78.3 70.2 -80.4 -9.5 4.2 5.2 36.8 112 188 A G T > + 0 0 28 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.240 58.3 117.8 -94.3 18.1 3.3 4.9 33.1 113 189 A R G X + 0 0 0 -3,-0.7 3,-1.9 1,-0.3 4,-0.2 0.561 50.4 85.0 -68.7 -5.0 4.8 1.5 32.4 114 190 A I G 3 S+ 0 0 52 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.854 94.3 51.1 -58.2 -26.1 1.5 -0.2 31.5 115 191 A Q G X S+ 0 0 63 -3,-1.8 3,-2.9 1,-0.2 -1,-0.3 0.386 75.0 114.3 -89.3 0.9 2.3 1.2 28.1 116 192 A W T < S+ 0 0 61 -3,-1.9 -1,-0.2 1,-0.3 -11,-0.2 0.732 72.0 55.5 -53.4 -34.7 5.9 -0.1 27.8 117 193 A G T 3 S+ 0 0 42 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.3 0.659 98.7 69.2 -69.7 -16.9 5.2 -2.5 24.9 118 194 A K < + 0 0 146 -3,-2.9 2,-0.4 -17,-0.1 34,-0.3 -0.806 66.5 127.8-112.4 86.1 3.9 0.4 22.9 119 195 A L - 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