==== 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 13-JAN-99 5NSE . COMPND 2 MOLECULE: PROTEIN (NITRIC OXIDE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,B.S.S.MASTERS,T.L.POULOS . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 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 . 77 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 0 2 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 7 11 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 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 0 111 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.3 8.0 -18.6 53.3 2 68 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 4,-0.0 -0.053 360.0-113.9 -53.8 152.7 10.0 -17.9 50.1 3 69 A K S S+ 0 0 174 14,-0.0 3,-0.0 2,-0.0 14,-0.0 -0.049 87.5 86.2 -79.6 31.9 13.6 -16.6 50.0 4 70 A F S S- 0 0 61 -2,-0.5 15,-0.1 1,-0.0 0, 0.0 -0.916 92.7 -71.9-133.1 160.3 12.5 -13.3 48.3 5 71 A P - 0 0 10 0, 0.0 13,-2.0 0, 0.0 2,-0.5 -0.194 46.6-134.4 -51.8 134.7 11.2 -9.9 49.4 6 72 A R E -A 17 0A 102 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.846 20.9-163.9 -97.2 124.5 7.6 -10.1 50.6 7 73 A V E -A 16 0A 9 9,-3.2 9,-1.9 -2,-0.5 2,-0.4 -0.940 4.0-165.5-116.1 125.8 5.4 -7.4 49.2 8 74 A K E -A 15 0A 56 -2,-0.5 391,-2.0 7,-0.2 2,-0.7 -0.877 17.8-150.5-116.6 143.8 2.0 -6.5 50.6 9 75 A N B > -B 398 0B 1 5,-2.6 4,-2.0 -2,-0.4 389,-0.2 -0.957 12.2-163.6-107.1 114.0 -0.9 -4.5 49.4 10 76 A W T 4 S+ 0 0 70 387,-2.4 388,-0.1 -2,-0.7 -1,-0.1 0.650 84.1 56.3 -73.8 -18.9 -2.6 -3.1 52.5 11 77 A E T 4 S+ 0 0 63 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.920 124.2 22.4 -77.3 -43.6 -5.9 -2.2 50.8 12 78 A L T 4 S- 0 0 120 385,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.588 96.7-131.0 -96.9 -18.6 -6.5 -5.7 49.5 13 79 A G < + 0 0 41 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.0 0.411 56.8 146.9 80.1 -1.5 -4.4 -7.6 52.0 14 80 A S - 0 0 58 -5,-0.2 -5,-2.6 -6,-0.1 2,-0.3 -0.259 34.2-150.5 -70.5 154.7 -2.8 -9.5 49.2 15 81 A I E +A 8 0A 57 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.929 17.2 169.9-127.2 148.1 0.9 -10.8 49.1 16 82 A T E -A 7 0A 50 -9,-1.9 -9,-3.2 -2,-0.3 2,-0.4 -0.943 24.4-132.3-148.5 161.4 3.4 -11.4 46.4 17 83 A Y E -A 6 0A 54 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.961 15.9-132.5-121.2 140.1 7.2 -12.1 46.3 18 84 A D + 0 0 5 -13,-2.0 358,-0.2 -2,-0.4 357,-0.1 -0.817 36.0 158.7 -96.6 105.1 9.6 -10.3 44.1 19 85 A T > + 0 0 53 356,-2.1 3,-1.3 -2,-0.9 357,-0.2 0.658 65.2 74.8 -94.1 -20.3 11.9 -12.9 42.4 20 86 A L G > S+ 0 0 2 355,-1.6 3,-2.4 1,-0.3 4,-0.2 0.835 81.4 67.8 -62.1 -35.5 12.9 -10.5 39.6 21 87 A C G > S+ 0 0 7 1,-0.3 3,-1.5 354,-0.3 -1,-0.3 0.698 84.6 74.4 -59.1 -19.6 15.2 -8.5 41.9 22 88 A A G < S+ 0 0 43 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.636 92.4 54.2 -67.9 -16.5 17.4 -11.6 42.0 23 89 A Q G < S+ 0 0 131 -3,-2.4 2,-0.8 -4,-0.1 -1,-0.3 0.414 77.8 117.3 -96.8 -1.1 18.5 -10.7 38.4 24 90 A S < + 0 0 0 -3,-1.5 381,-0.1 -4,-0.2 -3,-0.0 -0.577 37.5 178.2 -71.0 107.4 19.5 -7.2 39.4 25 91 A Q + 0 0 161 -2,-0.8 2,-0.5 379,-0.2 -1,-0.2 0.515 59.7 74.6 -89.6 -5.3 23.3 -7.1 38.6 26 92 A Q B S-C 404 0C 52 378,-0.8 378,-0.7 422,-0.1 19,-0.1 -0.931 76.8-132.6-114.5 131.5 23.6 -3.5 39.6 27 93 A D - 0 0 80 -2,-0.5 421,-0.2 17,-0.1 -2,-0.1 -0.288 17.2-147.7 -75.4 160.8 23.6 -2.2 43.2 28 94 A G - 0 0 15 419,-3.4 -1,-0.1 2,-0.3 421,-0.1 -0.403 35.1 -84.3-115.0-168.2 21.6 0.7 44.6 29 95 A P S S+ 0 0 32 0, 0.0 2,-0.1 0, 0.0 8,-0.1 0.716 94.3 91.7 -73.9 -24.0 22.1 3.4 47.3 30 96 A C + 0 0 3 416,-0.3 -2,-0.3 417,-0.2 5,-0.2 -0.348 45.9 178.8 -80.1 154.7 20.8 1.3 50.2 31 97 A T - 0 0 44 3,-1.9 414,-0.3 415,-0.1 412,-0.2 -0.899 48.4 -97.7-141.7 161.3 22.7 -1.0 52.7 32 98 A P S S+ 0 0 45 0, 0.0 411,-3.3 0, 0.0 413,-0.3 0.937 122.4 56.7 -50.2 -43.8 21.3 -3.1 55.6 33 99 A R S S+ 0 0 69 409,-0.2 786,-0.5 1,-0.1 2,-0.3 0.915 119.8 3.7 -52.3 -59.1 22.5 -0.2 57.9 34 100 A R E -D 818 0D 27 784,-0.1 -3,-1.9 409,-0.1 2,-0.6 -0.974 63.2-126.2-139.5 154.5 20.5 2.7 56.3 35 101 A C E +D 817 0D 19 782,-3.0 782,-2.0 -2,-0.3 3,-0.2 -0.850 18.5 176.6-101.8 119.3 18.0 3.4 53.5 36 102 A L + 0 0 13 -2,-0.6 3,-0.4 780,-0.2 780,-0.1 -0.280 43.0 122.7-110.4 42.5 18.8 6.0 50.9 37 103 A G + 0 0 22 1,-0.2 345,-0.2 -8,-0.1 -1,-0.2 0.641 65.0 57.0 -80.6 -16.5 15.6 5.4 48.9 38 104 A S S S+ 0 0 20 777,-0.6 2,-0.4 -3,-0.2 -1,-0.2 0.559 81.1 108.1 -90.6 -9.4 14.2 9.0 49.1 39 105 A L - 0 0 10 -3,-0.4 383,-0.0 776,-0.2 -3,-0.0 -0.561 57.0-156.6 -74.6 123.9 17.3 10.5 47.5 40 106 A V S S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.926 85.4 32.6 -64.3 -51.4 16.8 11.7 43.9 41 107 A L S S+ 0 0 54 2,-0.1 2,-0.6 3,-0.0 -1,-0.2 -0.786 70.1 167.9-113.7 84.3 20.4 11.5 42.7 42 108 A P > - 0 0 22 0, 0.0 2,-2.4 0, 0.0 3,-0.6 -0.897 47.1-113.8 -98.1 120.7 22.3 8.7 44.4 43 109 A R T 3 S+ 0 0 141 -2,-0.6 -2,-0.1 1,-0.2 -15,-0.0 -0.252 89.3 96.3 -53.4 76.0 25.7 8.0 42.7 44 110 A K T 3 S+ 0 0 80 -2,-2.4 -1,-0.2 -18,-0.0 -17,-0.1 0.616 88.8 24.7-128.9 -64.2 24.7 4.5 41.5 45 111 A L S < S+ 0 0 40 -3,-0.6 -2,-0.1 -19,-0.1 365,-0.1 0.619 93.8 131.0 -80.8 -14.5 23.5 4.5 37.8 46 112 A Q - 0 0 52 -4,-0.4 2,-0.6 1,-0.1 366,-0.2 -0.095 48.6-154.9 -42.6 124.6 25.5 7.7 37.4 47 113 A T - 0 0 27 364,-1.1 -1,-0.1 2,-0.0 3,-0.1 -0.680 6.9-165.8-111.5 76.1 27.7 7.4 34.3 48 114 A R - 0 0 178 -2,-0.6 364,-0.0 1,-0.2 -2,-0.0 -0.489 48.2 -85.4 -63.0 118.2 30.7 9.8 34.9 49 115 A P - 0 0 77 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.073 45.1-146.1 -31.2 94.8 32.3 10.2 31.4 50 116 A S - 0 0 56 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.596 5.5-141.8 -71.5 119.8 34.7 7.2 31.1 51 117 A P S S+ 0 0 133 0, 0.0 122,-0.5 0, 0.0 -1,-0.1 0.932 82.0 19.6 -47.1 -57.6 37.7 8.3 29.1 52 118 A G S S- 0 0 39 1,-0.2 -2,-0.0 120,-0.1 119,-0.0 -0.474 103.1 -71.8-107.4-179.7 38.1 5.0 27.2 53 119 A P - 0 0 61 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.077 63.0 -81.2 -65.2 168.3 35.7 2.1 26.6 54 120 A P - 0 0 33 0, 0.0 6,-0.0 0, 0.0 5,-0.0 -0.303 66.9 -73.9 -67.8 158.7 34.6 -0.3 29.3 55 121 A P >> - 0 0 75 0, 0.0 4,-2.9 0, 0.0 3,-0.7 -0.388 48.3-120.9 -55.2 126.9 37.1 -3.2 30.2 56 122 A A H 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.824 114.6 46.6 -39.0 -37.1 36.7 -5.5 27.2 57 123 A E H 3> S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.867 111.6 47.9 -76.7 -40.0 35.7 -8.2 29.7 58 124 A Q H <> S+ 0 0 107 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.880 114.3 47.1 -68.1 -38.9 33.2 -6.0 31.7 59 125 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.881 110.9 55.2 -67.2 -37.1 31.6 -4.8 28.4 60 126 A L H X S+ 0 0 17 -4,-1.5 4,-3.1 -5,-0.4 5,-0.2 0.905 105.5 48.5 -62.7 -46.7 31.5 -8.4 27.3 61 127 A S H X S+ 0 0 65 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 114.5 47.3 -63.1 -36.2 29.6 -9.7 30.4 62 128 A Q H X S+ 0 0 57 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.915 113.9 47.8 -69.4 -41.2 27.1 -6.9 29.9 63 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.918 110.8 49.7 -64.9 -47.1 26.8 -7.7 26.2 64 130 A R H X S+ 0 0 94 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.906 110.0 52.1 -60.7 -40.3 26.4 -11.4 26.7 65 131 A D H X S+ 0 0 74 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.4 46.1 -63.3 -45.0 23.7 -10.8 29.3 66 132 A F H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.917 111.8 50.2 -63.9 -45.2 21.7 -8.5 26.9 67 133 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.911 110.5 51.9 -60.1 -38.2 22.1 -10.9 24.0 68 134 A N H X S+ 0 0 54 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.896 109.8 48.4 -63.3 -42.0 20.8 -13.6 26.4 69 135 A Q H X S+ 0 0 47 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 110.7 52.8 -64.4 -40.9 17.8 -11.4 27.3 70 136 A Y H X S+ 0 0 24 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.945 110.9 44.1 -61.1 -50.5 17.2 -10.8 23.6 71 137 A Y H <>S+ 0 0 20 -4,-2.7 5,-2.8 1,-0.2 6,-0.4 0.854 111.3 55.0 -66.1 -29.6 17.1 -14.4 22.6 72 138 A S H ><5S+ 0 0 53 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.921 105.0 53.7 -68.0 -40.9 14.9 -15.2 25.6 73 139 A S H 3<5S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.7 41.3 -63.4 -32.3 12.4 -12.6 24.5 74 140 A I T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.307 114.8-119.8 -96.7 6.0 12.1 -14.2 21.1 75 141 A K T < 5S+ 0 0 148 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.825 82.6 112.7 59.3 43.8 12.1 -17.7 22.7 76 142 A R > < + 0 0 148 -5,-2.8 3,-1.8 -6,-0.1 6,-0.4 -0.119 37.2 156.8-130.4 29.9 15.3 -19.0 21.0 77 143 A S T 3 S+ 0 0 80 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.449 70.9 11.9 -64.5 122.1 17.5 -19.2 24.1 78 144 A G T 3 S+ 0 0 50 -2,-0.3 -1,-0.3 1,-0.3 -10,-0.0 0.330 99.0 132.4 93.7 -5.4 20.3 -21.7 23.5 79 145 A S S <> S- 0 0 39 -3,-1.8 4,-2.3 1,-0.1 -1,-0.3 -0.071 73.5-102.7 -72.1 174.9 19.7 -22.0 19.8 80 146 A Q H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.905 123.1 52.4 -65.7 -43.1 22.3 -21.8 17.0 81 147 A A H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 110.4 50.2 -60.6 -37.7 21.3 -18.2 16.1 82 148 A H H > S+ 0 0 7 -6,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.941 111.1 46.0 -65.9 -51.1 21.8 -17.3 19.8 83 149 A E H X S+ 0 0 88 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.795 111.6 53.1 -65.2 -29.5 25.3 -18.9 20.1 84 150 A E H X S+ 0 0 100 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.881 107.0 50.5 -74.2 -38.0 26.4 -17.3 16.8 85 151 A R H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.871 108.5 53.3 -66.6 -37.3 25.4 -13.8 17.9 86 152 A L H X S+ 0 0 3 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.867 111.6 45.5 -64.4 -37.9 27.3 -14.2 21.1 87 153 A Q H X S+ 0 0 123 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.884 111.4 52.4 -71.0 -41.4 30.4 -15.2 19.2 88 154 A E H X S+ 0 0 109 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.859 109.0 49.9 -62.1 -39.3 29.9 -12.3 16.8 89 155 A V H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.844 112.0 47.7 -69.1 -36.3 29.7 -9.8 19.6 90 156 A E H X S+ 0 0 73 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.874 112.9 48.2 -72.2 -38.5 32.9 -11.2 21.2 91 157 A A H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.896 113.1 48.3 -67.3 -42.4 34.8 -11.1 17.9 92 158 A E H X>S+ 0 0 44 -4,-2.1 4,-2.5 2,-0.2 6,-0.6 0.924 114.0 45.2 -64.8 -45.1 33.6 -7.6 17.3 93 159 A V H X5S+ 0 0 4 -4,-2.2 4,-1.1 4,-0.2 -1,-0.2 0.824 112.2 55.1 -68.0 -29.4 34.6 -6.4 20.8 94 160 A A H <5S+ 0 0 85 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.886 117.4 31.7 -71.4 -40.1 37.9 -8.3 20.4 95 161 A S H <5S+ 0 0 100 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.775 136.8 21.9 -90.3 -28.0 38.9 -6.5 17.2 96 162 A T H <5S- 0 0 80 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.574 95.6-121.1-115.2 -15.3 37.3 -3.1 17.7 97 163 A G S < - 0 0 139 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.390 37.0-104.8 -75.7 163.5 20.9 -5.2 15.3 103 169 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 120.7 48.4 -57.2 -46.5 17.8 -3.1 14.7 104 170 A S H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.778 109.1 53.9 -66.1 -31.0 15.5 -5.5 16.5 105 171 A E H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.896 108.1 49.7 -70.5 -39.6 17.8 -5.7 19.4 106 172 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.932 112.2 47.9 -64.4 -43.7 17.8 -1.9 19.7 107 173 A V H X S+ 0 0 43 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 113.5 48.4 -63.9 -38.0 14.0 -1.8 19.6 108 174 A F H X S+ 0 0 29 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.955 113.9 45.5 -66.5 -49.5 13.9 -4.6 22.2 109 175 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.840 109.6 53.8 -63.1 -37.8 16.3 -2.8 24.5 110 176 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.928 112.2 45.4 -64.4 -43.1 14.7 0.6 24.2 111 177 A K H X S+ 0 0 56 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.890 112.5 51.5 -67.0 -36.5 11.4 -1.0 25.2 112 178 A Q H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.867 104.4 56.8 -66.9 -39.2 13.1 -2.9 28.1 113 179 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 296,-0.5 0.904 110.5 43.9 -59.0 -41.0 14.7 0.2 29.4 114 180 A W H >< S+ 0 0 35 -4,-1.5 3,-1.0 2,-0.2 -2,-0.2 0.928 112.5 52.4 -68.7 -45.0 11.3 1.8 29.7 115 181 A R H 3< S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.866 112.1 47.1 -57.8 -36.2 9.9 -1.3 31.2 116 182 A N H 3< S+ 0 0 3 -4,-2.6 289,-0.3 291,-0.2 -1,-0.3 0.587 80.0 118.8 -84.0 -10.9 12.7 -1.3 33.8 117 183 A A X< - 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