==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 25-MAY-10 3N5R . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 811 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 11.3 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 . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 1 1 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 0 100 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-167.5 7.6 -18.8 52.7 2 68 A P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 4,-0.0 -0.343 360.0-106.8 -75.7 165.9 10.4 -18.3 50.1 3 69 A K S S+ 0 0 207 -2,-0.1 14,-0.0 2,-0.1 3,-0.0 -0.273 88.5 97.6 -93.9 48.4 13.6 -16.3 50.7 4 70 A F S S- 0 0 73 -2,-0.7 15,-0.1 17,-0.0 2,-0.0 -0.871 92.5 -72.0-124.8 159.2 12.6 -13.4 48.5 5 71 A P - 0 0 12 0, 0.0 13,-2.4 0, 0.0 2,-0.4 -0.322 44.7-138.6 -55.6 125.5 11.0 -10.2 49.6 6 72 A R E -A 17 0A 107 11,-0.2 2,-0.5 9,-0.0 11,-0.3 -0.775 20.2-155.6 -82.3 135.0 7.3 -10.7 50.7 7 73 A V E -A 16 0A 10 9,-4.1 9,-2.2 -2,-0.4 2,-0.4 -0.949 8.1-165.1-127.0 116.9 5.2 -7.9 49.4 8 74 A K E -A 15 0A 56 -2,-0.5 382,-2.5 7,-0.2 2,-0.6 -0.804 17.1-153.9-106.3 136.5 2.0 -6.8 50.9 9 75 A N B > -B 389 0B 2 5,-2.8 4,-1.9 -2,-0.4 5,-0.3 -0.947 13.3-162.5 -95.6 118.5 -0.9 -4.6 49.7 10 76 A W T 4 S+ 0 0 80 378,-3.2 379,-0.1 -2,-0.6 -1,-0.1 0.707 83.2 57.9 -82.4 -16.0 -2.4 -3.2 52.9 11 77 A E T 4 S+ 0 0 59 377,-0.4 -1,-0.2 374,-0.2 378,-0.1 0.941 122.8 22.8 -70.5 -46.0 -5.7 -2.1 51.3 12 78 A L T 4 S- 0 0 119 376,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.553 96.6-125.9-104.6 -11.3 -6.5 -5.6 50.0 13 79 A G < + 0 0 46 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.494 59.7 144.2 79.0 4.0 -4.5 -7.9 52.3 14 80 A S - 0 0 60 -5,-0.3 -5,-2.8 -6,-0.0 2,-0.3 -0.463 33.0-157.0 -82.2 155.5 -2.8 -9.6 49.4 15 81 A I E +A 8 0A 58 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.945 13.6 173.2-131.1 139.1 0.8 -10.9 49.4 16 82 A T E -A 7 0A 51 -9,-2.2 -9,-4.1 -2,-0.3 2,-0.4 -0.954 24.4-133.1-136.9 162.1 3.3 -11.6 46.6 17 83 A Y E -A 6 0A 57 -2,-0.3 2,-0.8 -11,-0.3 -11,-0.2 -0.967 19.0-131.7-112.7 137.3 7.0 -12.5 46.7 18 84 A D + 0 0 5 -13,-2.4 349,-0.2 -2,-0.4 348,-0.1 -0.800 36.3 160.0 -88.8 111.0 9.4 -10.7 44.4 19 85 A T > + 0 0 61 347,-2.8 3,-1.1 -2,-0.8 348,-0.2 0.548 64.1 77.2-100.3 -14.7 11.6 -13.3 42.6 20 86 A L G > S+ 0 0 11 346,-1.5 3,-2.4 1,-0.2 4,-0.2 0.813 77.6 72.4 -63.8 -29.2 12.6 -10.9 39.8 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.9 345,-0.3 -1,-0.2 0.742 81.2 73.4 -65.2 -18.3 15.1 -9.0 42.1 22 88 A A G < S+ 0 0 43 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.701 89.1 61.4 -66.0 -19.0 17.4 -12.0 41.8 23 89 A Q G < S+ 0 0 121 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.574 77.1 118.5 -82.5 -12.6 18.1 -10.9 38.3 24 90 A S < - 0 0 2 -3,-1.9 372,-0.2 -4,-0.2 3,-0.0 -0.354 38.1-179.0 -62.7 127.7 19.5 -7.6 39.5 25 91 A Q + 0 0 152 370,-0.7 2,-0.4 -2,-0.1 -1,-0.1 0.283 58.9 62.8-112.0 13.4 23.2 -7.1 38.5 26 92 A Q B S-C 395 0C 106 369,-0.6 369,-0.6 413,-0.2 2,-0.2 -1.000 75.9-122.9-145.9 131.6 24.0 -3.7 40.1 27 93 A D - 0 0 99 -2,-0.4 412,-0.2 367,-0.1 367,-0.1 -0.574 22.3-153.4 -75.8 139.5 24.0 -2.4 43.7 28 94 A G - 0 0 32 410,-3.8 -1,-0.1 -2,-0.2 412,-0.1 -0.048 39.0 -82.7 -89.3-158.3 21.9 0.5 44.7 29 95 A P S S+ 0 0 49 0, 0.0 2,-0.2 0, 0.0 410,-0.1 0.460 92.5 95.2 -93.2 -1.0 22.6 2.9 47.5 30 96 A C + 0 0 3 407,-0.4 5,-0.2 408,-0.2 -2,-0.1 -0.545 42.8 177.8 -94.8 156.9 21.2 1.0 50.5 31 97 A T B > -D 34 0D 44 3,-2.0 3,-0.8 -2,-0.2 405,-0.3 -0.933 48.8 -96.4-141.8 165.4 22.9 -1.3 53.0 32 98 A P T 3 S+ 0 0 45 0, 0.0 402,-3.4 0, 0.0 404,-0.2 0.780 122.8 57.5 -53.5 -24.7 21.7 -3.2 56.1 33 99 A R T 3 S+ 0 0 172 1,-0.2 769,-0.5 400,-0.2 2,-0.3 0.841 121.0 0.7 -78.6 -34.5 22.9 -0.3 58.2 34 100 A R B < -D 31 0D 38 -3,-0.8 -3,-2.0 767,-0.1 2,-0.5 -0.979 61.6-127.5-159.3 145.7 20.8 2.4 56.6 35 101 A C B +E 800 0E 17 765,-2.5 765,-2.0 -2,-0.3 3,-0.2 -0.798 17.8 177.4 -96.3 125.0 18.3 3.0 53.8 36 102 A L > + 0 0 9 -2,-0.5 3,-1.9 763,-0.2 -1,-0.1 -0.005 39.8 128.5-111.4 28.1 19.0 5.7 51.2 37 103 A G T 3 + 0 0 21 1,-0.3 336,-0.2 763,-0.1 -1,-0.1 0.592 66.8 54.6 -64.7 -15.9 15.9 5.0 49.3 38 104 A S T 3 S+ 0 0 17 760,-0.6 2,-0.4 -3,-0.2 -1,-0.3 0.349 76.9 110.8-104.5 4.0 14.8 8.6 49.3 39 105 A L < - 0 0 10 -3,-1.9 374,-0.1 1,-0.2 -3,-0.0 -0.683 60.6-145.3 -81.7 134.9 17.9 10.2 47.7 40 106 A V S S+ 0 0 32 -2,-0.4 -1,-0.2 1,-0.3 -3,-0.0 0.958 83.9 13.1 -66.3 -57.6 17.2 11.5 44.2 41 107 A L S S+ 0 0 64 -3,-0.1 2,-0.4 361,-0.0 -1,-0.3 -0.984 71.1 176.3-117.5 126.4 20.6 10.7 42.8 42 108 A P 0 0 55 0, 0.0 -6,-0.0 0, 0.0 0, 0.0 -0.974 360.0 360.0-120.4 156.5 23.0 8.6 44.5 43 109 A R 0 0 262 -2,-0.4 0, 0.0 -14,-0.1 0, 0.0 0.860 360.0 360.0 -50.8 360.0 26.5 7.5 43.2 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 45 120 A P 0 0 106 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.3 34.0 0.1 29.0 46 121 A P > - 0 0 90 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.845 360.0 -98.4-107.0 157.5 36.8 -2.6 29.0 47 122 A A H > S+ 0 0 55 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.750 113.5 46.5 -44.5 -60.4 36.5 -6.2 27.6 48 123 A E H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 119.0 42.5 -47.1 -58.0 35.8 -8.4 30.7 49 124 A Q H > S+ 0 0 116 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.854 117.3 45.3 -59.4 -42.6 33.1 -6.0 32.0 50 125 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.895 108.3 55.7 -73.2 -41.3 31.5 -5.3 28.6 51 126 A L H X S+ 0 0 26 -4,-2.7 4,-3.4 1,-0.3 -1,-0.2 0.903 106.0 47.7 -65.4 -45.3 31.3 -8.8 27.3 52 127 A S H X S+ 0 0 57 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.3 0.816 113.2 50.6 -67.2 -29.0 29.4 -10.3 30.2 53 128 A Q H X S+ 0 0 59 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.898 112.5 46.2 -72.8 -42.8 26.9 -7.4 30.1 54 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.932 111.6 51.8 -59.7 -49.2 26.5 -8.0 26.4 55 130 A R H X S+ 0 0 101 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.940 109.1 51.4 -52.8 -49.7 26.2 -11.8 27.0 56 131 A D H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 111.6 45.6 -55.2 -54.0 23.5 -11.1 29.5 57 132 A F H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 110.4 52.2 -57.3 -49.1 21.4 -8.9 27.2 58 133 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.904 110.0 50.7 -56.7 -43.7 21.7 -11.3 24.2 59 134 A N H X S+ 0 0 65 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.3 0.923 109.2 52.1 -51.7 -47.6 20.4 -14.0 26.5 60 135 A Q H X S+ 0 0 46 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.891 110.5 47.9 -57.3 -41.7 17.6 -11.7 27.5 61 136 A Y H X S+ 0 0 27 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.955 112.6 45.6 -68.4 -53.4 16.8 -11.1 23.8 62 137 A Y H <>S+ 0 0 18 -4,-2.7 5,-3.5 1,-0.2 6,-0.5 0.835 110.6 55.6 -61.2 -34.7 16.7 -14.7 22.8 63 138 A S H ><5S+ 0 0 61 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.2 0.941 106.8 51.1 -57.3 -46.5 14.7 -15.5 25.9 64 139 A S H 3<5S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.794 112.2 43.9 -71.2 -26.2 12.1 -13.0 24.8 65 140 A I T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.289 116.3-117.6 -96.3 13.5 11.8 -14.4 21.3 66 141 A K T < 5S+ 0 0 161 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.779 83.4 113.9 62.0 35.7 11.8 -17.9 22.9 67 142 A R > < + 0 0 141 -5,-3.5 3,-1.7 -6,-0.1 6,-0.4 0.016 34.3 152.5-126.0 27.0 15.0 -19.2 21.2 68 143 A S T 3 S+ 0 0 76 -6,-0.5 3,-0.1 1,-0.3 -9,-0.1 -0.416 71.3 12.8 -66.2 126.2 17.2 -19.6 24.3 69 144 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -2,-0.2 5,-0.0 0.215 100.1 130.0 92.0 -11.7 19.9 -22.2 23.8 70 145 A S S <> S- 0 0 35 -3,-1.7 4,-2.2 1,-0.1 -1,-0.3 -0.022 73.8-105.1 -71.2 174.4 19.3 -22.4 20.1 71 146 A Q H > S+ 0 0 152 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.884 121.0 51.8 -66.6 -41.3 21.8 -22.2 17.2 72 147 A A H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.803 110.8 50.7 -68.3 -28.5 20.8 -18.7 16.3 73 148 A H H > S+ 0 0 9 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.936 112.2 43.4 -72.9 -49.3 21.3 -17.7 19.9 74 149 A E H X S+ 0 0 114 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.808 113.7 52.4 -68.0 -29.8 24.8 -19.2 20.3 75 150 A E H X S+ 0 0 103 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.883 108.6 49.2 -73.9 -38.7 25.9 -17.8 16.9 76 151 A R H X S+ 0 0 5 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.891 110.5 51.7 -64.5 -41.6 24.8 -14.3 17.8 77 152 A L H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.946 113.3 44.5 -53.4 -51.6 26.7 -14.8 21.1 78 153 A Q H X S+ 0 0 129 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.867 111.0 53.6 -62.3 -41.0 29.8 -15.8 19.0 79 154 A E H X S+ 0 0 86 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.864 111.2 47.9 -62.1 -36.3 29.2 -12.9 16.6 80 155 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 110.9 46.8 -71.6 -48.9 29.2 -10.5 19.5 81 156 A E H X S+ 0 0 66 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.804 112.2 51.7 -68.4 -28.8 32.3 -11.7 21.3 82 157 A A H X S+ 0 0 60 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.892 109.8 49.4 -70.1 -42.0 34.3 -11.8 18.0 83 158 A E H X>S+ 0 0 53 -4,-1.5 4,-2.3 2,-0.2 5,-0.7 0.900 114.3 44.9 -64.6 -39.0 33.2 -8.2 17.3 84 159 A V H X5S+ 0 0 7 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.931 107.3 60.5 -70.1 -39.4 34.3 -7.2 20.8 85 160 A A H <5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 118.4 27.5 -51.7 -36.9 37.5 -9.2 20.4 86 161 A S H <5S+ 0 0 104 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.805 134.5 23.4-103.8 -31.0 38.5 -7.0 17.4 87 162 A T H <5S- 0 0 78 -4,-2.3 -3,-0.2 2,-0.4 -2,-0.1 0.588 92.1-125.9-110.0 -18.4 37.0 -3.5 17.8 88 163 A G S <> - 0 0 110 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 -0.551 37.9-102.3 -71.3 150.1 20.7 -5.5 15.5 94 169 A E H 3> S+ 0 0 146 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.830 122.3 44.8 -35.5 -57.1 17.6 -3.3 14.8 95 170 A S H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.722 108.0 59.7 -71.5 -21.8 15.1 -5.6 16.7 96 171 A E H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.886 105.6 48.0 -68.2 -36.8 17.6 -5.9 19.5 97 172 A L H X S+ 0 0 1 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.961 111.9 49.6 -67.4 -45.1 17.5 -2.1 20.0 98 173 A V H X S+ 0 0 49 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.930 113.9 46.2 -58.9 -48.1 13.7 -2.1 19.9 99 174 A F H X S+ 0 0 27 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.938 115.5 45.2 -59.0 -46.3 13.6 -4.9 22.5 100 175 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.860 109.1 54.1 -74.1 -36.6 16.2 -3.2 24.7 101 176 A A H X S+ 0 0 0 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.917 112.9 43.5 -58.7 -47.2 14.7 0.3 24.6 102 177 A K H X S+ 0 0 54 -4,-1.8 4,-3.2 -5,-0.3 -2,-0.2 0.885 112.0 54.7 -64.6 -38.1 11.3 -1.1 25.7 103 178 A Q H X S+ 0 0 11 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.936 104.8 53.2 -65.8 -42.4 13.0 -3.2 28.3 104 179 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 296,-0.5 0.853 111.4 45.9 -55.5 -37.8 14.7 -0.1 29.7 105 180 A W H >< S+ 0 0 37 -4,-1.4 3,-0.9 2,-0.2 -2,-0.2 0.935 112.6 50.4 -73.4 -46.4 11.2 1.6 30.0 106 181 A R H 3< S+ 0 0 28 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.3 49.7 -50.2 -43.2 9.8 -1.6 31.6 107 182 A N H 3< S+ 0 0 4 -4,-3.0 289,-0.4 -5,-0.2 -1,-0.2 0.600 79.4 115.2 -77.5 -11.2 12.8 -1.6 34.1 108 183 A A X< - 0 0 23 -3,-0.9 3,-2.0 -4,-0.6 6,-0.1 -0.472 50.4-161.7 -70.8 101.0 12.5 2.0 35.2 109 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.7 0, 0.0 -1,-0.2 0.661 85.4 51.9 -50.7 -25.4 11.5 2.0 39.0 110 185 A R T 3 S+ 0 0 56 260,-0.2 2,-0.7 264,-0.1 260,-0.1 0.481 83.7 100.3-102.4 -1.4 10.3 5.6 39.0 111 186 A C X - 0 0 40 -3,-2.0 3,-0.8 -6,-0.2 264,-0.1 -0.764 43.2-175.8 -93.4 115.3 7.9 5.5 36.0 112 187 A V T 3 S+ 0 0 23 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.570 78.0 72.6 -78.4 -8.1 4.2 5.1 36.9 113 188 A G T > + 0 0 26 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.295 58.2 116.5 -93.4 14.5 3.4 4.9 33.2 114 189 A R G X + 0 0 0 -3,-0.8 3,-2.5 1,-0.3 4,-0.3 0.578 49.2 84.3 -71.3 -12.6 4.7 1.4 32.6 115 190 A I G 3 S+ 0 0 54 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.864 95.7 52.4 -51.5 -28.2 1.4 -0.3 31.7 116 191 A Q G X S+ 0 0 53 -3,-1.8 3,-2.6 1,-0.2 -1,-0.3 0.359 74.0 111.3 -88.9 2.2 2.3 1.2 28.2 117 192 A W T < S+ 0 0 56 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.2 0.793 73.4 55.9 -53.7 -36.3 5.8 -0.3 28.0 118 193 A G T 3 S+ 0 0 38 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.3 0.584 99.0 65.7 -72.1 -11.4 5.0 -2.7 25.2 119 194 A K < + 0 0 148 -3,-2.6 2,-0.4 -17,-0.1 34,-0.3 -0.832 67.8 132.4-119.7 88.3 3.7 0.1 23.0 120 195 A L - 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0 0 5 -5,-2.4 -1,-0.2 -192,-0.1 -192,-0.2 -0.992 56.4-103.1-129.1 129.9 -8.5 20.1 71.8 750 418 B T + 0 0 35 -194,-2.1 -59,-0.6 -2,-0.4 2,-0.3 -0.146 52.2 148.2 -57.7 135.1 -4.9 19.9 70.6 751 419 B I E -i 691 0X 21 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.950 30.4-149.0-163.0 146.3 -4.4 19.0 66.9 752 420 B V E -i 692 0X 36 -61,-1.8 -59,-2.4 -2,-0.3 2,-0.1 -0.990 16.1-133.6-126.1 137.1 -1.7 20.0 64.4 753 421 B D > - 0 0 7 -2,-0.4 4,-2.3 -61,-0.2 5,-0.1 -0.499 31.1-107.5 -82.9 163.5 -2.4 20.2 60.7 754 422 B H H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.627 116.7 55.8 -69.1 -18.8 0.1 18.6 58.4 755 423 B H H > S+ 0 0 6 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.911 111.5 42.2 -74.1 -48.3 1.6 21.9 57.2 756 424 B A H > S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.944 115.2 52.1 -63.8 -42.4 2.4 23.1 60.7 757 425 B A H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.913 111.3 43.3 -61.2 -49.4 3.7 19.6 61.7 758 426 B T H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.854 110.0 57.0 -69.7 -34.9 6.2 19.1 58.9 759 427 B V H X S+ 0 0 85 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.871 111.0 44.7 -60.6 -35.7 7.5 22.7 59.1 760 428 B S H X S+ 0 0 38 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.851 109.5 54.8 -79.7 -35.5 8.3 21.9 62.7 761 429 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.879 103.7 56.2 -62.8 -39.5 9.8 18.6 61.7 762 430 B M H X S+ 0 0 39 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.846 108.4 47.8 -53.4 -37.5 12.1 20.5 59.3 763 431 B K H X S+ 0 0 109 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.797 108.6 53.8 -77.1 -26.9 13.3 22.5 62.3 764 432 B H H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.869 103.4 55.9 -76.4 -35.2 13.8 19.4 64.3 765 433 B L H X S+ 0 0 26 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.834 109.1 49.5 -60.1 -35.2 16.0 18.0 61.5 766 434 B D H X S+ 0 0 73 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.935 110.0 47.1 -71.1 -51.1 18.0 21.2 61.9 767 435 B N H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 113.4 50.4 -54.8 -46.1 18.3 20.9 65.8 768 436 B E H X>S+ 0 0 3 -4,-2.7 4,-3.4 2,-0.2 6,-1.1 0.839 105.7 56.1 -62.6 -35.2 19.3 17.3 65.4 769 437 B Q H X5S+ 0 0 51 -4,-1.3 4,-1.5 4,-0.2 -2,-0.2 0.960 113.0 40.5 -62.1 -49.0 21.9 18.1 62.8 770 438 B K H <5S+ 0 0 164 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 123.0 42.9 -64.1 -40.0 23.6 20.5 65.1 771 439 B A H <5S+ 0 0 66 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.834 134.7 3.0 -77.1 -37.9 23.1 18.2 68.1 772 440 B R H <5S- 0 0 50 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.434 96.2-101.0-138.8 -8.4 24.0 14.7 66.8 773 441 B G S <> - 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0 0 30 -138,-0.5 -138,-0.0 -2,-0.3 -127,-0.0 -0.909 29.4 -82.9-138.3 163.7 6.2 -7.3 68.7 811 479 B P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.096 53.4 -93.2 -62.0 163.0 4.0 -10.3 67.9 812 480 B D - 0 0 84 2,-0.2 -234,-0.1 1,-0.1 -140,-0.0 -0.642 33.2-125.1 -78.0 140.8 0.3 -10.2 68.9 813 481 B P 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -235,-0.1 0.551 360.0 360.0 -68.1 -1.9 -0.1 -11.8 72.3 814 482 B W 0 0 125 -236,-0.1 -2,-0.2 0, 0.0 0, 0.0 -0.728 360.0 360.0-113.0 360.0 -2.6 -14.3 70.9