==== 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 26-JAN-00 1ED5 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.RAMAN,H.LI,P.MARTASEK,G.J.SOUTHAN,B.S.S.MASTERS,T.L.POUL . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 64.0 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 . 83 10.0 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 . 58 7.0 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 . 225 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 . 11 4 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 . 5 7 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 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 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.4 8.6 -19.1 53.4 2 68 A P - 0 0 59 0, 0.0 2,-1.9 0, 0.0 4,-0.0 -0.240 360.0-122.5 -54.3 137.8 10.0 -18.2 50.0 3 69 A K S S+ 0 0 198 14,-0.0 14,-0.0 2,-0.0 3,-0.0 -0.285 83.8 85.9 -80.9 53.8 13.5 -16.8 50.1 4 70 A F S S- 0 0 79 -2,-1.9 15,-0.1 17,-0.0 0, 0.0 -0.958 94.0 -70.2-145.7 160.5 12.5 -13.5 48.4 5 71 A P - 0 0 10 0, 0.0 13,-2.1 0, 0.0 2,-0.5 -0.293 45.5-138.4 -56.7 132.8 11.1 -10.2 49.5 6 72 A R E -A 17 0A 113 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.853 20.4-163.4 -95.4 126.0 7.4 -10.5 50.6 7 73 A V E -A 16 0A 9 9,-3.3 9,-2.2 -2,-0.5 2,-0.3 -0.940 3.0-162.9-117.0 128.5 5.3 -7.6 49.3 8 74 A K E -A 15 0A 62 -2,-0.4 391,-2.3 7,-0.2 2,-0.6 -0.841 16.7-151.3-116.2 147.9 1.9 -6.7 50.7 9 75 A N E >> -AB 14 398A 2 5,-2.3 4,-1.8 -2,-0.3 5,-0.6 -0.968 11.4-163.2-110.7 114.8 -1.1 -4.6 49.5 10 76 A W T 45S+ 0 0 81 387,-2.5 388,-0.1 -2,-0.6 -1,-0.1 0.659 83.5 57.3 -76.1 -16.2 -2.9 -3.2 52.6 11 77 A E T 45S+ 0 0 67 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.910 123.8 22.4 -77.4 -44.8 -6.1 -2.3 50.8 12 78 A L T 45S- 0 0 123 385,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.581 97.5-131.8 -97.4 -14.3 -6.8 -5.8 49.5 13 79 A G T <5 + 0 0 46 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.723 57.1 144.1 69.0 21.4 -4.7 -7.7 52.0 14 80 A S E < -A 9 0A 56 -5,-0.6 -5,-2.3 1,-0.0 2,-0.3 -0.571 36.0-147.4 -93.0 158.7 -3.0 -9.7 49.3 15 81 A I E +A 8 0A 56 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.939 16.5 173.2-129.2 147.0 0.6 -10.9 49.1 16 82 A T E -A 7 0A 49 -9,-2.2 -9,-3.3 -2,-0.3 2,-0.4 -0.941 22.9-133.2-143.5 162.5 3.2 -11.5 46.4 17 83 A Y E -A 6 0A 59 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.974 15.7-136.3-120.8 136.1 6.9 -12.4 46.4 18 84 A D + 0 0 6 -13,-2.1 358,-0.2 -2,-0.4 357,-0.1 -0.817 34.2 158.4 -96.1 112.2 9.5 -10.6 44.2 19 85 A T > + 0 0 59 356,-2.2 3,-1.2 -2,-0.8 357,-0.2 0.567 62.7 77.9-103.2 -14.7 11.8 -13.0 42.5 20 86 A L G > S+ 0 0 16 355,-1.2 3,-2.3 1,-0.3 4,-0.2 0.809 79.0 70.0 -65.9 -30.1 12.9 -10.7 39.7 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.7 354,-0.2 -1,-0.3 0.744 82.9 73.4 -60.9 -20.8 15.2 -8.7 41.9 22 88 A A G < S+ 0 0 45 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.680 89.9 61.0 -66.0 -15.8 17.5 -11.8 41.9 23 89 A Q G < S+ 0 0 130 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.554 75.3 121.3 -86.8 -11.0 18.3 -10.8 38.4 24 90 A S < - 0 0 5 -3,-1.7 381,-0.2 -4,-0.2 3,-0.0 -0.332 36.7-178.5 -59.1 128.7 19.8 -7.4 39.4 25 91 A Q + 0 0 149 379,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.261 61.8 63.5-112.1 10.0 23.4 -7.1 38.3 26 92 A Q B S-C 404 0B 55 378,-0.6 378,-0.6 422,-0.1 2,-0.2 -0.995 77.9-123.7-140.2 132.4 24.1 -3.6 39.7 27 93 A D - 0 0 88 -2,-0.4 421,-0.2 376,-0.1 376,-0.1 -0.463 19.8-149.0 -77.1 141.6 24.1 -2.4 43.4 28 94 A G - 0 0 14 419,-4.4 -1,-0.1 418,-0.2 421,-0.1 -0.093 35.4 -89.3 -90.2-164.8 21.9 0.5 44.6 29 95 A P S S+ 0 0 28 0, 0.0 2,-0.1 0, 0.0 14,-0.1 0.594 90.9 95.0 -86.4 -13.9 22.7 3.0 47.4 30 96 A C - 0 0 4 416,-0.3 5,-0.2 417,-0.1 -2,-0.1 -0.385 45.0-179.9 -82.6 158.6 21.2 1.1 50.4 31 97 A T B > -D 34 0C 42 3,-1.8 3,-0.6 415,-0.2 414,-0.3 -0.919 48.4 -96.5-145.1 164.9 22.9 -1.2 52.9 32 98 A P T 3 S+ 0 0 46 0, 0.0 411,-4.0 0, 0.0 413,-0.1 0.778 123.6 58.2 -58.1 -21.9 21.7 -3.2 55.9 33 99 A R T 3 S- 0 0 81 1,-0.3 786,-0.5 409,-0.2 2,-0.3 0.861 120.1 -1.6 -76.6 -38.8 22.9 -0.3 58.0 34 100 A R B < -D 31 0C 32 -3,-0.6 -3,-1.8 784,-0.1 2,-0.4 -0.978 61.0-125.8-159.3 146.1 20.8 2.5 56.3 35 101 A C B +E 817 0D 18 782,-2.8 782,-2.1 -2,-0.3 3,-0.2 -0.759 19.8 175.0 -93.7 128.9 18.3 3.2 53.6 36 102 A L > + 0 0 10 -2,-0.4 3,-1.6 780,-0.2 -1,-0.1 -0.035 39.8 125.7-118.6 26.6 19.1 5.8 51.0 37 103 A G T 3 + 0 0 22 1,-0.3 -1,-0.1 780,-0.1 345,-0.1 0.719 66.6 59.6 -59.2 -23.3 16.0 5.1 48.9 38 104 A S T 3 S+ 0 0 27 777,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.583 76.4 110.8 -84.0 -10.5 14.8 8.8 49.1 39 105 A L < - 0 0 11 -3,-1.6 -3,-0.1 776,-0.2 383,-0.1 -0.477 56.6-154.7 -69.0 131.2 17.9 10.2 47.5 40 106 A V S S+ 0 0 30 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 0.928 91.2 18.8 -69.1 -46.2 17.2 11.6 44.0 41 107 A L S S+ 0 0 42 2,-0.0 -1,-0.2 4,-0.0 2,-0.2 -0.529 75.6 175.1-124.9 64.1 20.8 11.2 42.8 42 108 A P - 0 0 20 0, 0.0 2,-2.6 0, 0.0 4,-0.5 -0.553 49.9-103.5 -70.7 135.1 22.6 8.7 45.0 43 109 A R S S+ 0 0 125 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.312 94.6 94.0 -61.0 78.2 26.0 8.2 43.5 44 110 A K S S+ 0 0 84 -2,-2.6 -1,-0.1 -18,-0.0 -16,-0.1 0.373 88.6 16.8-128.3 -94.3 25.2 4.8 42.1 45 111 A L S S+ 0 0 53 -3,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.916 84.7 137.7 -52.2 -46.8 24.0 4.4 38.5 46 112 A Q - 0 0 29 -4,-0.5 2,-2.5 1,-0.2 366,-0.2 0.433 53.4-142.5 -5.3 94.8 25.3 7.8 37.8 47 113 A T - 0 0 16 364,-2.9 -1,-0.2 229,-0.1 3,-0.1 -0.407 24.7-172.1 -74.8 69.7 26.9 7.3 34.4 48 114 A R - 0 0 150 -2,-2.5 2,-0.1 364,-0.2 364,-0.0 -0.341 41.8 -83.1 -61.3 142.6 29.9 9.6 35.0 49 115 A P - 0 0 69 0, 0.0 -1,-0.2 0, 0.0 363,-0.0 -0.290 44.9-172.5 -53.9 116.7 32.0 10.0 31.8 50 116 A S + 0 0 56 1,-0.2 -2,-0.0 -2,-0.1 -3,-0.0 -0.678 9.7 176.4-113.3 73.7 34.4 7.1 31.5 51 117 A P + 0 0 91 0, 0.0 122,-0.6 0, 0.0 -1,-0.2 0.915 52.9 72.8 -39.4 -90.4 36.6 8.2 28.6 52 118 A G S S- 0 0 54 120,-0.1 0, 0.0 1,-0.1 0, 0.0 0.016 106.0 -82.4 -34.8 129.8 39.2 5.5 28.1 53 119 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.063 53.6-104.8 -38.1 142.2 37.7 2.4 26.6 54 120 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.311 46.0 -77.5 -73.2 155.8 36.0 0.0 29.1 55 121 A P >> - 0 0 82 0, 0.0 4,-2.5 0, 0.0 3,-1.3 -0.354 36.3-141.1 -56.1 114.2 37.5 -3.3 30.3 56 122 A A H 3> S+ 0 0 57 1,-0.3 4,-1.7 -2,-0.3 5,-0.1 0.776 104.2 55.9 -47.8 -28.2 36.9 -5.8 27.5 57 123 A E H 3> S+ 0 0 166 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.856 109.9 43.0 -74.8 -36.7 36.2 -8.2 30.3 58 124 A Q H <> S+ 0 0 109 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.928 115.8 46.6 -74.3 -47.5 33.4 -6.1 31.8 59 125 A L H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.912 110.2 55.7 -60.8 -42.7 31.8 -5.1 28.6 60 126 A L H X S+ 0 0 23 -4,-1.7 4,-3.1 -5,-0.4 -1,-0.2 0.918 107.4 47.1 -57.0 -48.4 31.9 -8.7 27.4 61 127 A S H X S+ 0 0 46 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.905 115.5 46.1 -62.2 -41.5 30.0 -10.0 30.4 62 128 A Q H X S+ 0 0 56 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.902 113.8 49.2 -66.6 -41.0 27.4 -7.2 30.1 63 129 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.912 110.5 50.2 -64.4 -43.7 27.1 -7.8 26.3 64 130 A R H X S+ 0 0 93 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.918 109.5 51.3 -62.0 -43.3 26.7 -11.6 26.9 65 131 A D H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.932 111.3 47.3 -59.6 -47.5 23.9 -11.0 29.4 66 132 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.910 110.5 51.0 -61.4 -45.2 22.0 -8.7 27.1 67 133 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 109.8 51.4 -60.5 -38.7 22.3 -11.1 24.1 68 134 A N H X S+ 0 0 64 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.897 109.5 50.8 -64.2 -39.5 21.0 -13.8 26.4 69 135 A Q H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 110.1 49.6 -62.7 -45.3 18.1 -11.6 27.3 70 136 A Y H X S+ 0 0 27 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.930 111.3 47.0 -61.2 -48.1 17.3 -10.9 23.7 71 137 A Y H <>S+ 0 0 9 -4,-2.4 5,-3.1 1,-0.2 6,-0.3 0.771 110.8 53.6 -68.1 -23.2 17.3 -14.5 22.6 72 138 A S H ><5S+ 0 0 56 -4,-1.5 3,-1.9 3,-0.2 -1,-0.2 0.910 103.2 57.0 -74.7 -41.3 15.1 -15.4 25.6 73 139 A S H 3<5S+ 0 0 54 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.763 111.6 41.5 -61.2 -27.3 12.6 -12.8 24.6 74 140 A I T 3<5S- 0 0 69 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.196 116.2-115.6-104.5 14.6 12.1 -14.4 21.2 75 141 A K T < 5S+ 0 0 159 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.887 84.8 111.2 54.2 51.2 12.2 -17.9 22.7 76 142 A R > < + 0 0 151 -5,-3.1 3,-1.8 -6,-0.1 6,-0.3 -0.054 35.7 155.6-140.0 31.6 15.4 -19.1 21.0 77 143 A S T 3 S+ 0 0 80 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.449 72.3 14.1 -66.7 128.4 17.7 -19.4 24.0 78 144 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 -2,-0.2 -10,-0.0 0.400 96.8 137.5 88.3 -2.5 20.5 -21.9 23.4 79 145 A S S <> S- 0 0 35 -3,-1.8 4,-2.1 1,-0.1 -1,-0.3 -0.162 71.1-104.1 -71.8 169.2 19.8 -22.0 19.6 80 146 A Q H > S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 123.2 51.9 -59.9 -45.0 22.5 -22.0 16.9 81 147 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 108.2 53.3 -60.3 -35.9 21.7 -18.3 16.1 82 148 A H H > S+ 0 0 7 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.937 111.3 43.1 -65.7 -49.1 22.1 -17.5 19.8 83 149 A E H X S+ 0 0 97 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.809 114.1 52.7 -68.5 -28.8 25.6 -19.1 20.1 84 150 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.880 108.6 49.2 -73.8 -38.1 26.6 -17.5 16.8 85 151 A R H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.911 109.2 52.7 -66.8 -41.6 25.6 -14.0 17.9 86 152 A L H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 110.8 48.0 -60.1 -40.0 27.5 -14.5 21.1 87 153 A Q H X S+ 0 0 122 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.917 109.9 52.2 -65.9 -44.2 30.6 -15.5 19.1 88 154 A E H X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 111.2 46.6 -58.5 -45.1 30.2 -12.5 16.8 89 155 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 112.7 49.0 -65.7 -43.0 30.0 -10.0 19.7 90 156 A E H X S+ 0 0 79 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.854 114.0 46.7 -66.7 -33.8 33.0 -11.6 21.4 91 157 A A H X S+ 0 0 59 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.899 111.3 50.3 -74.4 -42.0 35.0 -11.4 18.2 92 158 A E H X>S+ 0 0 49 -4,-2.4 4,-2.6 1,-0.2 5,-0.6 0.900 113.8 45.4 -63.3 -40.9 34.0 -7.8 17.4 93 159 A V H X5S+ 0 0 5 -4,-2.2 4,-1.5 3,-0.2 -1,-0.2 0.896 108.6 58.1 -68.4 -39.4 35.0 -6.7 20.9 94 160 A A H <5S+ 0 0 87 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.848 118.3 29.9 -58.9 -37.5 38.2 -8.7 20.7 95 161 A S H <5S+ 0 0 97 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.825 135.4 23.9 -93.9 -36.2 39.4 -6.8 17.6 96 162 A T H <5S- 0 0 80 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.710 94.9-122.2-103.0 -26.2 37.8 -3.4 17.9 97 163 A G S < - 0 0 116 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.453 35.0-105.1 -80.7 160.8 21.3 -5.3 15.4 103 169 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.932 121.2 46.5 -51.0 -54.5 18.1 -3.3 14.6 104 170 A S H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.785 108.6 56.6 -62.7 -28.4 15.8 -5.7 16.5 105 171 A E H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.883 106.8 49.4 -71.4 -36.4 18.2 -5.8 19.5 106 172 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 -3,-0.3 5,-0.2 0.947 110.9 49.3 -66.5 -47.0 18.0 -2.0 19.8 107 173 A V H X S+ 0 0 48 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.932 114.1 45.7 -56.8 -48.1 14.2 -2.0 19.7 108 174 A F H X S+ 0 0 29 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.932 113.9 49.7 -60.3 -47.6 14.0 -4.8 22.3 109 175 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.845 108.8 50.3 -62.1 -38.1 16.6 -3.0 24.5 110 176 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.900 112.4 46.8 -69.3 -41.7 14.9 0.4 24.4 111 177 A K H X S+ 0 0 57 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.895 111.9 51.6 -66.6 -38.6 11.5 -1.1 25.4 112 178 A Q H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 104.7 57.0 -65.0 -37.4 13.1 -3.1 28.2 113 179 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 296,-0.4 0.921 111.1 42.3 -59.0 -44.5 14.8 0.1 29.5 114 180 A W H >< S+ 0 0 37 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.940 112.9 53.1 -67.1 -46.2 11.4 1.8 29.9 115 181 A R H 3< S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.3 48.4 -55.8 -36.5 9.9 -1.4 31.3 116 182 A N H 3< S+ 0 0 3 -4,-2.5 289,-0.3 -5,-0.2 -1,-0.3 0.586 79.4 117.0 -82.4 -11.4 12.8 -1.5 33.8 117 183 A A X< - 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