==== 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-DEC-99 1DM7 . 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 . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 11.1 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 . 67 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.0 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 3 2 0 2 2 0 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 . 2 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 . 12 6 10 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.0 9.1 -19.5 53.0 2 68 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 4,-0.0 -0.055 360.0-129.8 -44.9 142.2 10.5 -18.2 49.6 3 69 A K S S+ 0 0 197 2,-0.1 3,-0.0 14,-0.1 14,-0.0 -0.201 78.2 85.2 -94.2 43.2 14.0 -16.7 50.0 4 70 A F S S- 0 0 77 -2,-0.4 15,-0.1 1,-0.0 2,-0.0 -0.843 95.8 -63.4-132.5 168.2 13.2 -13.4 48.1 5 71 A P - 0 0 10 0, 0.0 13,-2.0 0, 0.0 2,-0.6 -0.307 48.3-135.0 -58.2 130.7 11.7 -10.2 49.3 6 72 A R E -A 17 0A 106 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.798 21.6-162.5 -89.5 124.2 8.1 -10.6 50.6 7 73 A V E -A 16 0A 10 9,-3.2 9,-2.0 -2,-0.6 2,-0.3 -0.929 5.7-166.3-113.2 125.7 5.9 -7.8 49.2 8 74 A K E -A 15 0A 56 -2,-0.5 391,-2.7 7,-0.2 2,-0.6 -0.842 18.4-150.4-116.3 149.5 2.5 -7.0 50.7 9 75 A N B > -B 398 0B 2 5,-2.4 4,-1.3 -2,-0.3 389,-0.2 -0.976 10.5-163.4-111.5 120.9 -0.5 -5.0 49.7 10 76 A W T 4 S+ 0 0 82 387,-2.9 388,-0.1 -2,-0.6 -1,-0.1 0.585 84.7 56.4 -83.3 -11.7 -2.2 -3.6 52.8 11 77 A E T 4 S+ 0 0 60 386,-0.5 -1,-0.2 383,-0.2 387,-0.1 0.910 123.2 23.7 -82.2 -46.5 -5.5 -2.8 51.1 12 78 A L T 4 S- 0 0 120 385,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.545 96.2-131.4 -95.8 -10.6 -6.1 -6.3 49.8 13 79 A G < + 0 0 45 -4,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.521 57.6 145.1 72.0 3.1 -4.0 -8.2 52.3 14 80 A S - 0 0 59 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.3 -0.348 35.2-151.4 -75.6 156.8 -2.4 -10.1 49.4 15 81 A I E +A 8 0A 53 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.927 15.8 171.9-127.3 148.8 1.3 -11.2 49.4 16 82 A T E -A 7 0A 49 -9,-2.0 -9,-3.2 -2,-0.3 2,-0.4 -0.944 23.6-132.7-147.2 165.6 3.8 -11.8 46.6 17 83 A Y E -A 6 0A 57 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.984 14.1-139.0-125.2 135.0 7.5 -12.6 46.3 18 84 A D + 0 0 5 -13,-2.0 358,-0.2 -2,-0.4 357,-0.1 -0.845 32.7 159.3 -96.8 113.9 9.9 -10.7 44.0 19 85 A T > + 0 0 60 356,-2.3 3,-1.1 -2,-0.7 357,-0.2 0.498 64.1 77.9-107.3 -9.0 12.4 -13.1 42.4 20 86 A L G > S+ 0 0 11 355,-1.2 3,-2.5 1,-0.2 4,-0.3 0.821 79.5 69.4 -68.2 -33.1 13.1 -10.8 39.6 21 87 A C G > S+ 0 0 4 1,-0.3 3,-0.9 354,-0.3 -1,-0.2 0.658 83.4 72.0 -61.2 -15.9 15.4 -8.7 41.8 22 88 A A G < S+ 0 0 45 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.700 92.4 59.0 -71.3 -17.1 17.8 -11.6 41.8 23 89 A Q G < S+ 0 0 128 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 0.612 75.4 116.3 -84.1 -17.5 18.5 -10.6 38.2 24 90 A S < - 0 0 2 -3,-0.9 381,-0.2 -4,-0.3 -3,-0.0 -0.391 42.6-175.6 -57.3 116.9 19.6 -7.1 39.3 25 91 A Q + 0 0 154 379,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.129 60.4 63.4-103.3 18.4 23.2 -7.0 38.2 26 92 A Q B S-C 404 0C 50 378,-0.5 378,-0.6 422,-0.2 2,-0.1 -1.000 75.9-123.1-145.7 143.7 23.9 -3.6 39.7 27 93 A D - 0 0 84 -2,-0.3 421,-0.2 17,-0.1 -2,-0.1 -0.423 19.4-153.7 -83.0 160.1 23.9 -2.1 43.2 28 94 A G - 0 0 14 419,-3.1 -1,-0.1 2,-0.2 421,-0.1 -0.342 40.8 -82.1-113.2-161.7 21.9 0.9 44.4 29 95 A P S S+ 0 0 29 0, 0.0 419,-0.1 0, 0.0 8,-0.1 0.691 93.8 100.4 -82.5 -14.2 22.5 3.4 47.2 30 96 A C + 0 0 3 416,-0.3 -2,-0.2 417,-0.2 5,-0.2 -0.257 41.8 173.5 -78.1 154.1 21.1 1.2 50.0 31 97 A T B > -D 34 0D 41 3,-1.4 3,-0.7 415,-0.2 414,-0.2 -0.955 50.5 -99.4-151.7 152.7 23.1 -0.9 52.5 32 98 A P T 3 S+ 0 0 49 0, 0.0 411,-3.4 0, 0.0 413,-0.2 0.757 122.3 58.5 -48.1 -24.4 22.0 -2.9 55.6 33 99 A R T 3 S- 0 0 84 1,-0.2 786,-0.4 409,-0.2 2,-0.3 0.918 118.7 -0.5 -75.3 -47.2 23.1 0.1 57.6 34 100 A R B < -D 31 0D 38 -3,-0.7 -3,-1.4 784,-0.1 2,-0.6 -0.999 60.7-126.7-150.6 147.2 20.9 2.8 56.1 35 101 A C B +E 817 0E 20 782,-2.8 782,-2.0 -2,-0.3 3,-0.2 -0.823 21.7 173.9 -95.4 119.7 18.3 3.4 53.4 36 102 A L > + 0 0 10 -2,-0.6 3,-1.2 780,-0.2 -1,-0.1 -0.076 39.2 125.3-111.1 30.1 19.0 6.1 50.9 37 103 A G T 3 + 0 0 23 1,-0.2 -1,-0.1 -8,-0.1 345,-0.1 0.563 65.9 58.9 -67.3 -11.1 15.9 5.3 48.8 38 104 A S T 3 S+ 0 0 22 777,-0.6 -1,-0.2 -3,-0.2 2,-0.1 0.594 77.6 111.0 -93.4 -13.1 14.5 8.8 48.9 39 105 A L < - 0 0 12 -3,-1.2 383,-0.1 776,-0.2 -3,-0.0 -0.419 58.3-153.0 -64.1 131.7 17.6 10.4 47.3 40 106 A V S S+ 0 0 30 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.892 87.9 20.3 -72.8 -42.8 16.8 11.7 43.8 41 107 A L S S+ 0 0 56 2,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.563 74.4 176.1-129.1 69.4 20.4 11.3 42.4 42 108 A P > - 0 0 18 0, 0.0 2,-1.7 0, 0.0 4,-0.5 -0.582 45.2-108.6 -75.6 133.6 22.4 8.9 44.5 43 109 A R T 4 S+ 0 0 120 -2,-0.3 -2,-0.0 1,-0.2 -15,-0.0 -0.430 93.6 90.3 -63.7 90.0 25.9 8.3 42.9 44 110 A K T 4 S+ 0 0 87 -2,-1.7 -1,-0.2 -18,-0.0 -17,-0.1 0.304 88.9 26.0-142.4 -75.0 25.2 4.8 41.7 45 111 A L T 4 S+ 0 0 45 -3,-0.5 -2,-0.1 2,-0.1 365,-0.1 0.866 85.5 136.2 -66.7 -37.5 23.8 4.4 38.2 46 112 A Q < - 0 0 32 -4,-0.5 2,-1.7 1,-0.2 366,-0.2 0.272 50.8-147.2 -17.0 105.2 25.4 7.8 37.3 47 113 A T - 0 0 18 364,-1.8 -1,-0.2 229,-0.0 3,-0.2 -0.420 23.7-171.7 -84.8 62.0 26.9 7.2 33.9 48 114 A R - 0 0 136 -2,-1.7 2,-0.2 1,-0.2 364,-0.0 -0.111 42.3 -79.8 -52.1 147.4 29.9 9.5 34.4 49 115 A P - 0 0 77 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.333 47.9-178.3 -54.9 117.3 32.1 10.2 31.2 50 116 A S + 0 0 56 1,-0.2 -2,-0.0 -3,-0.2 -3,-0.0 -0.358 10.3 171.1-114.7 51.2 34.3 7.1 31.0 51 117 A P + 0 0 83 0, 0.0 122,-1.3 0, 0.0 -1,-0.2 0.722 53.7 78.2 -26.2 -63.9 36.2 8.3 27.9 52 118 A G S S- 0 0 56 -3,-0.1 0, 0.0 120,-0.1 0, 0.0 -0.422 107.2 -90.2 -58.2 123.4 38.9 5.7 27.7 53 119 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.084 51.8-100.3 -34.7 142.6 37.2 2.6 26.2 54 120 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.224 49.2 -73.2 -69.5 155.9 35.6 0.2 28.8 55 121 A P >> - 0 0 90 0, 0.0 4,-2.7 0, 0.0 3,-0.5 -0.297 39.9-145.1 -51.3 111.8 37.1 -3.1 30.1 56 122 A A H 3> S+ 0 0 57 1,-0.3 4,-1.2 2,-0.2 37,-0.0 0.831 102.3 55.7 -50.0 -29.6 36.6 -5.3 27.1 57 123 A E H 3> S+ 0 0 171 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.911 109.2 42.7 -70.5 -43.9 36.0 -7.9 29.7 58 124 A Q H <> S+ 0 0 105 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.924 112.3 52.2 -69.0 -47.2 33.2 -6.0 31.5 59 125 A L H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.829 106.0 58.3 -59.0 -33.2 31.4 -4.9 28.3 60 126 A L H X S+ 0 0 21 -4,-1.2 4,-3.7 -5,-0.4 5,-0.2 0.957 105.8 44.4 -64.3 -52.6 31.4 -8.6 27.1 61 127 A S H X S+ 0 0 37 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.841 114.9 51.1 -63.2 -30.7 29.5 -10.0 30.1 62 128 A Q H X S+ 0 0 68 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.876 115.0 42.1 -72.3 -36.6 27.1 -7.1 29.8 63 129 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.879 111.0 55.3 -75.6 -39.0 26.7 -7.7 26.1 64 130 A R H X S+ 0 0 106 -4,-3.7 4,-1.4 1,-0.2 -2,-0.2 0.894 109.9 49.0 -60.4 -38.0 26.5 -11.5 26.6 65 131 A D H X S+ 0 0 48 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.921 110.0 48.4 -68.6 -46.6 23.6 -10.9 29.0 66 132 A F H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.934 109.4 52.5 -61.1 -46.2 21.6 -8.6 26.8 67 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.875 108.6 52.0 -57.8 -36.5 21.8 -10.9 23.8 68 134 A N H X S+ 0 0 65 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.899 108.4 50.2 -65.6 -40.9 20.5 -13.7 26.1 69 135 A Q H X S+ 0 0 44 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.865 110.8 51.6 -63.3 -36.8 17.6 -11.5 27.1 70 136 A Y H X S+ 0 0 28 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.959 113.4 40.1 -67.0 -51.9 16.9 -10.9 23.4 71 137 A Y H <>S+ 0 0 14 -4,-2.5 5,-2.6 2,-0.2 6,-0.5 0.871 114.4 55.2 -65.8 -33.3 16.9 -14.5 22.3 72 138 A S H ><5S+ 0 0 65 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 0.946 105.6 52.8 -60.5 -49.0 15.0 -15.4 25.5 73 139 A S H 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.0 42.6 -59.0 -32.5 12.4 -12.8 24.5 74 140 A I T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.212 116.0-116.8 -99.7 16.4 11.9 -14.3 21.1 75 141 A K T < 5S+ 0 0 158 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.913 85.4 110.3 51.1 55.8 12.0 -17.8 22.6 76 142 A R > < + 0 0 150 -5,-2.6 3,-2.4 3,-0.1 6,-0.4 0.064 35.5 153.2-141.6 19.9 15.1 -19.0 20.9 77 143 A S T 3 S+ 0 0 85 -6,-0.5 3,-0.1 1,-0.3 -9,-0.1 -0.309 73.3 18.3 -55.7 133.8 17.5 -19.2 23.8 78 144 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.0 -10,-0.0 0.410 96.7 136.5 83.2 -2.4 20.1 -21.8 23.1 79 145 A S S <> S- 0 0 31 -3,-2.4 4,-1.8 1,-0.1 -1,-0.2 -0.108 70.5-109.3 -70.1 173.4 19.4 -21.8 19.4 80 146 A Q H > S+ 0 0 145 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.864 121.3 54.0 -72.7 -35.6 22.1 -21.7 16.7 81 147 A A H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.861 106.9 53.2 -64.6 -35.5 21.3 -18.1 15.9 82 148 A H H > S+ 0 0 7 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.945 112.0 42.5 -64.7 -50.9 21.8 -17.3 19.6 83 149 A E H X S+ 0 0 97 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.914 115.3 50.3 -63.1 -43.8 25.2 -18.8 19.8 84 150 A E H X S+ 0 0 93 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.941 110.9 47.9 -60.6 -47.1 26.2 -17.3 16.4 85 151 A R H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.877 112.1 53.4 -60.9 -34.1 25.0 -13.9 17.5 86 152 A L H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.948 110.3 43.6 -64.6 -50.0 27.0 -14.5 20.7 87 153 A Q H X S+ 0 0 116 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.851 111.0 58.6 -63.0 -35.1 30.2 -15.3 18.8 88 154 A E H X S+ 0 0 77 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.904 106.4 45.7 -61.2 -45.5 29.5 -12.3 16.6 89 155 A V H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.922 113.2 49.5 -65.6 -46.3 29.5 -9.9 19.5 90 156 A E H X S+ 0 0 80 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.938 111.4 49.0 -58.6 -49.3 32.6 -11.3 21.1 91 157 A A H X S+ 0 0 56 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.963 111.5 49.1 -55.2 -54.7 34.5 -11.1 17.8 92 158 A E H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.3 6,-0.7 0.798 113.5 45.8 -57.6 -32.6 33.5 -7.6 17.2 93 159 A V H X S+ 0 0 4 -4,-2.0 4,-1.4 4,-0.2 -1,-0.3 0.838 109.4 58.5 -78.2 -32.3 34.5 -6.5 20.7 94 160 A A H < S+ 0 0 85 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.958 118.8 26.5 -59.5 -53.1 37.7 -8.4 20.2 95 161 A S H < S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.815 137.6 24.9 -84.0 -32.5 38.8 -6.5 17.2 96 162 A T H < S- 0 0 72 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.587 93.4-126.8-108.8 -14.2 37.1 -3.1 17.6 97 163 A G S < S+ 0 0 25 -4,-1.4 -4,-0.2 -5,-0.4 2,-0.2 0.314 87.2 47.7 85.8 -10.2 36.6 -3.0 21.4 98 164 A T - 0 0 22 -6,-0.7 -2,-0.3 -45,-0.1 -1,-0.3 -0.611 69.9-150.9-139.4-163.4 32.9 -2.3 21.0 99 165 A Y - 0 0 0 -2,-0.2 2,-0.3 -3,-0.1 -10,-0.1 -0.970 11.1-117.0-167.8 171.9 30.0 -3.7 19.0 100 166 A H - 0 0 96 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.884 18.3-123.0-126.0 157.1 26.6 -2.9 17.4 101 167 A L - 0 0 9 -2,-0.3 2,-0.1 2,-0.0 3,-0.0 -0.728 23.9-122.1 -97.7 142.6 23.0 -3.9 17.8 102 168 A R >> - 0 0 119 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.451 37.4-102.3 -75.5 158.3 20.8 -5.3 15.1 103 169 A E H >> S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.922 121.1 46.5 -43.9 -63.8 17.6 -3.3 14.4 104 170 A S H 3> S+ 0 0 53 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.767 108.9 56.9 -53.3 -31.7 15.3 -5.6 16.3 105 171 A E H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.3 0.883 105.1 50.9 -69.3 -38.7 17.6 -5.8 19.2 106 172 A L H < S+ 0 0 34 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.968 114.2 53.5 -65.7 -49.6 11.2 1.7 29.7 115 181 A R H 3< S+ 0 0 29 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.852 111.4 46.6 -50.6 -40.0 9.8 -1.6 31.1 116 182 A N H 3< S+ 0 0 3 -4,-2.9 289,-0.4 -5,-0.2 -1,-0.3 0.539 79.8 120.5 -82.9 -8.8 12.6 -1.5 33.7 117 183 A A X< - 0 0 20 -3,-1.8 3,-1.0 -4,-0.7 6,-0.1 -0.436 46.9-162.8 -62.9 109.6 12.2 2.1 34.8 118 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.7 0, 0.0 -1,-0.2 0.747 85.6 50.5 -65.2 -24.9 11.4 2.1 38.5 119 185 A R T 3 S+ 0 0 56 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.457 85.6 98.9 -95.1 -2.2 10.1 5.6 38.6 120 186 A C X - 0 0 35 -3,-1.0 3,-0.6 -6,-0.2 264,-0.1 -0.784 45.0-175.4 -93.3 119.2 7.6 5.4 35.7 121 187 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.3 1,-0.2 -1,-0.1 0.532 79.2 66.0 -86.0 -7.9 4.0 4.8 36.7 122 188 A G T > + 0 0 28 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.180 59.6 119.8-100.9 20.4 2.9 4.5 33.0 123 189 A R G X + 0 0 0 -3,-0.6 3,-1.8 1,-0.3 4,-0.2 0.517 52.1 84.3 -64.1 -3.7 4.8 1.2 32.2 124 190 A I G 3 S+ 0 0 56 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.778 91.7 53.2 -68.4 -19.6 1.6 -0.6 31.4 125 191 A Q G X S+ 0 0 63 -3,-2.0 3,-2.5 1,-0.2 -1,-0.3 0.358 77.3 114.0 -90.5 3.0 2.1 1.0 28.0 126 192 A W T < + 0 0 61 -3,-1.8 -11,-0.2 1,-0.3 -1,-0.2 0.755 69.8 54.4 -48.4 -36.1 5.7 -0.4 27.8 127 193 A G T 3 S+ 0 0 43 -3,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.568 97.9 70.4 -78.3 -4.9 5.0 -2.7 24.8 128 194 A K < + 0 0 153 -3,-2.5 2,-0.4 -17,-0.1 34,-0.3 -0.687 65.4 131.8-115.1 78.4 3.7 0.1 22.8 129 195 A L - 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