==== 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 14-MAY-98 1NSE . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,V.KRAL,B.S.S.MASTERS,T.L.POULOS . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.4 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 . 1 0.1 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 2 2 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 . 11 7 10 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 5 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 91 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-109.9 8.6 -18.9 53.2 2 68 A P - 0 0 63 0, 0.0 2,-1.2 0, 0.0 4,-0.1 -0.270 360.0-119.8 -56.6 142.6 10.2 -18.0 49.9 3 69 A K S S+ 0 0 170 2,-0.1 14,-0.0 14,-0.1 3,-0.0 -0.153 86.1 87.3 -77.5 41.4 13.7 -16.5 50.0 4 70 A F S S- 0 0 56 -2,-1.2 15,-0.1 17,-0.0 2,-0.0 -0.949 93.7 -72.3-134.7 158.2 12.5 -13.3 48.4 5 71 A P - 0 0 12 0, 0.0 13,-2.5 0, 0.0 2,-0.5 -0.256 44.3-138.4 -49.2 125.8 11.0 -10.1 49.5 6 72 A R E -A 17 0A 107 11,-0.2 2,-0.5 -4,-0.1 11,-0.2 -0.806 21.6-160.2 -89.2 128.6 7.4 -10.6 50.6 7 73 A V E -A 16 0A 8 9,-3.8 9,-2.3 -2,-0.5 2,-0.4 -0.930 5.1-162.7-118.4 126.4 5.3 -7.7 49.3 8 74 A K E -A 15 0A 56 -2,-0.5 391,-2.1 7,-0.2 2,-0.6 -0.881 18.4-150.7-119.4 146.0 1.9 -6.7 50.7 9 75 A N E >> -AB 14 398A 2 5,-2.7 4,-2.2 -2,-0.4 5,-0.6 -0.960 12.7-165.3-101.5 114.4 -1.0 -4.6 49.5 10 76 A W T 45S+ 0 0 80 387,-2.4 388,-0.1 -2,-0.6 -1,-0.1 0.587 85.0 55.2 -78.6 -17.7 -2.7 -3.1 52.7 11 77 A E T 45S+ 0 0 62 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.889 124.4 23.5 -76.8 -37.9 -5.9 -2.1 50.9 12 78 A L T 45S- 0 0 122 385,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.648 95.5-130.2-103.1 -21.5 -6.6 -5.6 49.6 13 79 A G T <5 + 0 0 47 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.559 58.4 143.1 76.7 12.5 -4.6 -7.7 52.0 14 80 A S E < -A 9 0A 58 -5,-0.6 -5,-2.7 -6,-0.0 2,-0.4 -0.521 35.2-152.3 -89.8 156.2 -2.9 -9.6 49.2 15 81 A I E +A 8 0A 58 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.959 15.0 173.2-130.0 140.6 0.6 -10.8 49.1 16 82 A T E -A 7 0A 48 -9,-2.3 -9,-3.8 -2,-0.4 2,-0.4 -0.912 24.1-131.9-138.2 165.0 3.3 -11.5 46.5 17 83 A Y E -A 6 0A 61 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.975 17.8-135.4-117.9 133.8 7.0 -12.4 46.5 18 84 A D + 0 0 5 -13,-2.5 358,-0.2 -2,-0.4 357,-0.1 -0.783 35.4 158.8 -89.7 109.8 9.4 -10.5 44.3 19 85 A T > + 0 0 56 356,-2.2 3,-1.7 -2,-0.9 4,-0.3 0.660 62.9 76.4 -97.2 -18.9 11.7 -13.0 42.6 20 86 A L G > S+ 0 0 14 355,-1.5 3,-2.2 1,-0.3 4,-0.3 0.825 80.7 69.3 -60.4 -30.3 12.8 -10.7 39.8 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.4 354,-0.3 -1,-0.3 0.739 83.5 74.2 -63.7 -19.5 15.1 -8.7 42.1 22 88 A A G < S+ 0 0 41 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.816 91.4 56.7 -57.8 -30.9 17.3 -11.9 42.1 23 89 A Q G < S+ 0 0 133 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.666 77.9 119.4 -79.0 -14.9 18.2 -10.9 38.6 24 90 A S < + 0 0 1 -3,-1.4 381,-0.2 -4,-0.3 3,-0.1 -0.223 33.4 175.0 -55.1 134.5 19.5 -7.5 39.7 25 91 A Q + 0 0 150 379,-0.7 2,-0.5 1,-0.1 -1,-0.2 0.485 57.7 71.0-120.3 -8.6 23.2 -7.1 38.8 26 92 A Q B S-C 404 0B 87 378,-0.9 378,-0.6 422,-0.1 2,-0.2 -0.965 78.7-126.6-118.6 130.2 23.8 -3.5 39.8 27 93 A D - 0 0 69 -2,-0.5 421,-0.2 1,-0.1 376,-0.1 -0.471 18.3-149.7 -71.6 133.5 23.9 -2.3 43.4 28 94 A G - 0 0 15 419,-4.2 -1,-0.1 -2,-0.2 421,-0.1 -0.038 34.5 -91.4 -83.7-167.7 21.7 0.5 44.6 29 95 A P S S+ 0 0 26 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.528 89.5 97.0 -89.8 -8.2 22.5 3.0 47.4 30 96 A C + 0 0 2 416,-0.3 5,-0.2 417,-0.2 -2,-0.1 -0.517 44.6 179.8 -87.4 154.8 21.0 1.2 50.4 31 97 A T - 0 0 41 3,-1.6 3,-0.4 415,-0.2 414,-0.3 -0.885 47.8 -96.6-136.0 166.9 22.7 -1.1 53.0 32 98 A P S S+ 0 0 43 0, 0.0 411,-3.8 0, 0.0 413,-0.2 0.798 123.1 57.4 -57.0 -22.9 21.4 -3.0 56.0 33 99 A R S S- 0 0 161 1,-0.2 786,-0.4 409,-0.2 2,-0.3 0.874 120.7 -0.2 -80.7 -35.8 22.6 -0.1 58.1 34 100 A R - 0 0 44 -3,-0.4 -3,-1.6 784,-0.1 2,-0.5 -0.968 62.6-127.0-158.9 143.4 20.6 2.7 56.4 35 101 A C B -D 817 0C 19 782,-2.8 782,-2.1 -2,-0.3 3,-0.2 -0.751 16.7-179.9 -92.6 128.2 18.1 3.2 53.6 36 102 A L > + 0 0 12 -2,-0.5 3,-1.8 780,-0.2 -1,-0.1 -0.025 42.1 125.6-110.2 24.3 18.8 5.8 51.0 37 103 A G T 3 + 0 0 21 1,-0.3 -1,-0.1 780,-0.1 345,-0.1 0.740 67.9 55.6 -57.9 -29.6 15.6 5.2 49.1 38 104 A S T 3 S+ 0 0 24 777,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.415 79.5 111.5 -89.4 2.5 14.5 8.8 49.2 39 105 A L < - 0 0 8 -3,-1.8 383,-0.1 1,-0.1 -3,-0.0 -0.643 57.9-151.1 -81.7 134.0 17.6 10.3 47.6 40 106 A V S S+ 0 0 33 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.944 89.1 15.1 -68.9 -50.5 17.1 11.7 44.1 41 107 A L S S+ 0 0 61 2,-0.0 -1,-0.3 3,-0.0 2,-0.2 -0.797 70.8 166.6-128.3 88.0 20.6 11.1 42.9 42 108 A P > - 0 0 17 0, 0.0 3,-1.1 0, 0.0 2,-1.1 -0.480 58.3-100.8 -78.6 165.6 22.5 8.7 45.1 43 109 A R T 3 S+ 0 0 210 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 -0.092 112.7 78.0 -87.2 48.8 25.6 7.7 43.1 44 110 A K T 3 S+ 0 0 88 -2,-1.1 -1,-0.2 3,-0.0 -3,-0.0 0.391 94.6 38.1-130.1 -1.1 23.9 4.4 42.2 45 111 A L S < S+ 0 0 36 -3,-1.1 366,-2.1 -17,-0.1 2,-0.5 0.275 100.1 89.6-124.0 0.0 21.5 5.4 39.4 46 112 A Q B -e 411 0D 41 -4,-0.4 2,-0.8 364,-0.2 366,-0.2 -0.852 64.3-148.2-104.9 130.2 23.8 7.9 37.7 47 113 A T - 0 0 29 364,-5.0 3,-0.1 -2,-0.5 363,-0.1 -0.841 13.8-151.4-103.4 103.0 26.3 7.0 35.0 48 114 A R - 0 0 136 -2,-0.8 2,-0.4 364,-0.2 0, 0.0 0.018 36.0 -84.4 -53.0 169.1 29.4 9.1 35.0 49 115 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.700 31.1-138.7 -91.3 133.5 31.2 9.6 31.7 50 116 A S + 0 0 41 -2,-0.4 -3,-0.0 1,-0.2 -2,-0.0 -0.739 21.1 178.2 -90.0 97.2 33.7 7.0 30.4 51 117 A P S S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.764 77.2 48.3 -66.1 -20.1 36.6 9.0 29.0 52 118 A G S S- 0 0 36 -3,-0.1 0, 0.0 120,-0.1 0, 0.0 -0.874 102.2 -95.3-119.5 148.0 38.0 5.5 28.4 53 119 A P - 0 0 80 0, 0.0 3,-0.1 0, 0.0 45,-0.0 -0.382 50.5 -99.7 -61.0 134.3 36.4 2.4 26.8 54 120 A P - 0 0 41 0, 0.0 5,-0.1 0, 0.0 -4,-0.0 -0.299 52.5 -85.7 -55.1 134.2 34.9 -0.0 29.3 55 121 A P >> - 0 0 84 0, 0.0 4,-2.9 0, 0.0 3,-1.4 -0.219 37.7-124.7 -46.7 120.8 37.2 -3.0 30.0 56 122 A A H 3> S+ 0 0 42 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.792 110.5 50.7 -35.7 -48.3 36.5 -5.7 27.4 57 123 A E H 3> S+ 0 0 149 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.898 112.4 46.0 -70.0 -34.2 35.8 -8.3 30.0 58 124 A Q H <> S+ 0 0 101 -3,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.922 114.2 49.9 -71.9 -37.3 33.3 -6.0 31.8 59 125 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.951 108.7 51.2 -61.8 -47.2 31.8 -5.1 28.5 60 126 A L H X S+ 0 0 21 -4,-3.0 4,-3.8 -5,-0.2 5,-0.3 0.901 106.3 51.9 -64.0 -40.4 31.4 -8.7 27.3 61 127 A S H X S+ 0 0 51 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.930 113.9 45.6 -60.5 -43.7 29.6 -10.0 30.4 62 128 A Q H X S+ 0 0 52 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.843 115.4 47.8 -63.1 -40.4 27.1 -7.2 30.1 63 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.918 111.4 48.4 -68.6 -44.5 26.8 -7.9 26.4 64 130 A R H X S+ 0 0 103 -4,-3.8 4,-2.9 1,-0.2 -2,-0.2 0.925 110.9 52.3 -65.4 -38.5 26.4 -11.6 26.8 65 131 A D H X S+ 0 0 78 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.920 111.8 45.4 -61.7 -43.0 23.7 -11.0 29.5 66 132 A F H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.911 111.9 51.4 -68.2 -39.7 21.8 -8.7 27.2 67 133 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.930 108.2 52.3 -66.0 -36.1 22.1 -11.0 24.3 68 134 A N H X S+ 0 0 63 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.0 51.6 -62.2 -35.6 20.8 -13.8 26.5 69 135 A Q H X S+ 0 0 42 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.920 108.9 49.9 -63.5 -43.3 17.9 -11.5 27.3 70 136 A Y H X S+ 0 0 29 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.942 112.4 45.9 -62.0 -47.3 17.1 -10.9 23.7 71 137 A Y H <>S+ 0 0 19 -4,-2.5 5,-2.9 1,-0.2 6,-0.4 0.888 111.3 52.6 -68.4 -32.9 17.1 -14.6 22.7 72 138 A S H ><5S+ 0 0 59 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.923 105.6 56.0 -62.7 -39.3 15.0 -15.5 25.7 73 139 A S H 3<5S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.7 39.5 -66.2 -32.8 12.4 -12.9 24.7 74 140 A I T 3<5S- 0 0 68 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.328 116.1-119.3 -97.3 9.3 12.0 -14.4 21.2 75 141 A K T < 5S+ 0 0 158 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.877 82.0 115.3 59.5 48.3 12.2 -17.8 22.8 76 142 A R > < + 0 0 148 -5,-2.9 3,-1.6 -6,-0.1 6,-0.3 -0.125 35.7 153.5-131.6 30.6 15.3 -19.1 21.0 77 143 A S T 3 + 0 0 78 -6,-0.4 3,-0.1 1,-0.2 -9,-0.1 -0.399 69.9 17.0 -65.6 135.3 17.5 -19.4 24.1 78 144 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.2 -2,-0.1 5,-0.0 0.271 99.9 136.0 90.4 -15.2 20.2 -22.0 23.6 79 145 A S S <> S- 0 0 24 -3,-1.6 4,-3.3 1,-0.1 -1,-0.2 0.057 70.8-109.1 -64.9 168.5 19.7 -22.0 19.8 80 146 A Q H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.888 122.3 49.9 -69.9 -39.7 22.2 -21.9 17.0 81 147 A A H > S+ 0 0 34 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.893 111.8 51.7 -60.5 -39.9 21.3 -18.3 16.2 82 148 A H H > S+ 0 0 7 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.991 112.1 42.1 -62.9 -58.3 21.8 -17.6 19.8 83 149 A E H X S+ 0 0 101 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.858 115.7 52.4 -56.8 -34.6 25.2 -19.2 20.1 84 150 A E H X S+ 0 0 120 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.928 108.0 49.7 -69.1 -42.6 26.2 -17.6 16.8 85 151 A R H X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.946 109.4 51.6 -63.2 -42.4 25.1 -14.1 17.9 86 152 A L H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.915 109.2 51.3 -56.3 -41.3 27.1 -14.5 21.1 87 153 A Q H X S+ 0 0 134 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.909 107.4 52.5 -64.0 -43.2 30.2 -15.5 19.2 88 154 A E H X S+ 0 0 77 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.835 108.8 49.8 -58.8 -40.2 29.8 -12.5 16.9 89 155 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.914 109.3 51.2 -70.9 -39.0 29.7 -10.1 19.8 90 156 A E H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.878 112.4 47.4 -65.2 -38.1 32.8 -11.6 21.4 91 157 A A H X S+ 0 0 59 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.954 110.6 50.4 -66.4 -49.2 34.6 -11.2 18.1 92 158 A E H X S+ 0 0 44 -4,-2.7 4,-2.8 1,-0.2 6,-0.6 0.947 117.0 40.4 -54.3 -50.3 33.5 -7.6 17.6 93 159 A V H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.929 111.1 60.8 -63.4 -38.6 34.6 -6.6 21.0 94 160 A A H < S+ 0 0 83 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.778 118.2 25.7 -59.4 -32.1 37.7 -8.8 20.7 95 161 A S H < S+ 0 0 100 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.794 137.1 24.3-105.3 -30.0 39.0 -6.9 17.7 96 162 A T H < S- 0 0 80 -4,-2.8 -3,-0.2 2,-0.4 -2,-0.2 0.468 95.2-121.3-117.4 -1.1 37.6 -3.4 18.0 97 163 A G S < S+ 0 0 31 -4,-2.4 -4,-0.2 -5,-0.4 2,-0.2 0.275 88.2 54.6 77.7 -4.9 36.9 -3.2 21.8 98 164 A T - 0 0 21 -6,-0.6 -2,-0.4 -45,-0.0 2,-0.3 -0.721 66.3-149.4-137.4-171.0 33.2 -2.5 21.2 99 165 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.962 12.1-123.3-155.6 174.9 30.2 -4.0 19.4 100 166 A H - 0 0 97 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.961 18.8-124.4-130.8 148.0 27.0 -3.0 17.6 101 167 A L - 0 0 8 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.638 22.2-121.3 -88.4 142.5 23.3 -4.0 18.1 102 168 A R >> - 0 0 125 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.450 35.8-106.4 -69.3 155.3 21.1 -5.4 15.4 103 169 A E H 3> S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 120.2 47.8 -51.4 -44.5 18.0 -3.3 14.8 104 170 A S H 3> S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.799 108.3 55.9 -75.6 -24.4 15.6 -5.6 16.5 105 171 A E H <> S+ 0 0 1 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.886 106.7 50.1 -66.8 -41.2 17.9 -5.8 19.5 106 172 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 110.2 49.9 -63.8 -43.4 17.8 -2.0 19.9 107 173 A V H X S+ 0 0 45 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.887 114.5 45.1 -62.8 -39.6 14.0 -2.0 19.7 108 174 A F H X S+ 0 0 29 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 113.3 49.2 -68.9 -46.2 13.9 -4.7 22.4 109 175 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.877 110.8 50.4 -62.1 -38.7 16.5 -3.1 24.6 110 176 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.926 112.1 45.6 -70.7 -43.5 14.8 0.3 24.4 111 177 A K H X S+ 0 0 58 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.857 113.6 51.9 -64.0 -34.0 11.3 -1.1 25.4 112 178 A Q H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 103.3 56.9 -69.9 -40.6 13.1 -3.0 28.1 113 179 A A H < S+ 0 0 0 -4,-2.3 296,-0.5 2,-0.2 4,-0.4 0.907 111.0 44.6 -54.9 -46.4 14.8 0.1 29.5 114 180 A W H >< S+ 0 0 35 -4,-1.7 3,-1.7 2,-0.2 -2,-0.2 0.942 111.9 51.0 -63.5 -51.5 11.3 1.7 29.9 115 181 A R H 3< S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 112.0 49.7 -52.6 -36.4 9.8 -1.5 31.4 116 182 A N T 3< S+ 0 0 4 -4,-2.4 289,-0.4 291,-0.2 -1,-0.3 0.490 80.6 115.3 -82.0 -8.4 12.8 -1.5 33.9 117 183 A A X - 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