==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 27-NOV-12 4I4G . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.F.SEVRIOUKOVA,T.L.POULOS . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 3 1 2 0 0 1 1 1 1 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 27 A T 0 0 69 0, 0.0 2,-1.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 31.6 -7.0 -8.0 -15.8 2 28 A H > + 0 0 182 1,-0.2 3,-1.3 2,-0.0 4,-0.2 -0.520 360.0 62.4 103.5 -73.8 -10.3 -9.8 -15.2 3 29 A S G > S+ 0 0 55 -2,-1.1 3,-0.8 1,-0.3 -1,-0.2 0.551 90.8 83.2 -56.7 -7.8 -12.8 -7.1 -14.8 4 30 A H G 3 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.279 76.4 63.5 -83.7 10.6 -11.7 -6.4 -18.3 5 31 A G G <> S+ 0 0 30 -3,-1.3 4,-3.5 2,-0.1 5,-0.2 0.573 75.6 95.4-105.6 -11.5 -14.0 -9.0 -19.9 6 32 A L H <> S+ 0 0 38 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.867 87.6 36.9 -47.5 -62.3 -17.2 -7.3 -18.9 7 33 A F H >>S+ 0 0 8 2,-0.2 5,-2.8 1,-0.2 4,-0.7 0.830 117.4 52.9 -67.2 -33.2 -18.1 -5.3 -22.0 8 34 A K H >45S+ 0 0 161 3,-0.2 3,-1.4 1,-0.2 -2,-0.2 0.987 113.9 44.6 -54.9 -56.5 -16.8 -8.1 -24.3 9 35 A K H 3<5S+ 0 0 151 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.775 113.4 48.7 -58.9 -34.4 -19.1 -10.4 -22.3 10 36 A L H 3<5S- 0 0 44 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.543 112.4-119.3 -84.4 -8.7 -22.0 -8.0 -22.4 11 37 A G T <<5 + 0 0 66 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.784 66.2 144.4 70.0 29.1 -21.6 -7.5 -26.1 12 38 A I < - 0 0 20 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.860 47.0-125.4 -98.8 129.5 -20.9 -3.8 -25.6 13 39 A P + 0 0 55 0, 0.0 34,-2.3 0, 0.0 29,-0.1 -0.326 43.0 137.5 -76.0 162.2 -18.3 -2.1 -27.8 14 40 A G - 0 0 27 32,-0.2 34,-0.2 27,-0.1 2,-0.0 -0.908 56.1 -68.4 173.3 160.5 -15.3 -0.1 -26.6 15 41 A P - 0 0 22 0, 0.0 34,-0.1 0, 0.0 8,-0.0 -0.376 65.1 -96.6 -62.3 146.0 -11.5 0.5 -27.0 16 42 A T - 0 0 110 1,-0.1 32,-0.0 32,-0.1 2,-0.0 -0.548 42.3-131.1 -74.2 121.1 -9.4 -2.5 -26.1 17 43 A P - 0 0 29 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.320 10.8-135.1 -67.3 149.3 -8.2 -2.1 -22.4 18 44 A L B > -A 22 0A 82 4,-2.3 4,-2.2 31,-0.2 6,-0.1 -0.709 40.1 -83.8 -94.6 154.8 -4.6 -2.7 -21.5 19 45 A P T 4 S- 0 0 87 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 -0.379 108.0 -11.4 -55.7 137.3 -3.7 -4.7 -18.4 20 46 A F T 4 S+ 0 0 127 1,-0.2 -2,-0.0 31,-0.1 0, 0.0 -0.251 133.4 64.2 68.2 -54.7 -3.8 -2.5 -15.3 21 47 A L T >4 S- 0 0 57 -2,-2.9 3,-1.6 1,-0.2 30,-1.2 0.782 77.1-168.6 -70.8 -28.2 -4.1 0.7 -17.2 22 48 A G B 3< -AB 18 50A 2 -4,-2.2 -4,-2.3 1,-0.2 3,-0.3 -0.587 69.1 -34.9 69.2-135.0 -7.5 0.1 -18.9 23 49 A N T > S+ 0 0 8 26,-2.8 3,-2.4 -2,-0.3 4,-0.3 0.154 102.3 123.2-106.8 19.1 -7.9 2.7 -21.5 24 50 A I G X + 0 0 10 -3,-1.6 3,-1.6 25,-0.3 -1,-0.2 0.747 60.6 67.4 -55.1 -30.5 -6.2 5.4 -19.4 25 51 A L G > S+ 0 0 100 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.708 87.8 69.0 -65.9 -15.4 -3.6 6.1 -22.1 26 52 A S G X S+ 0 0 41 -3,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.663 81.2 74.6 -80.0 -12.8 -6.3 7.6 -24.3 27 53 A Y G X S+ 0 0 8 -3,-1.6 3,-1.9 -4,-0.3 -1,-0.3 0.479 70.1 90.3 -72.2 -5.0 -6.7 10.5 -21.9 28 54 A H G < S+ 0 0 120 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.848 88.0 48.0 -62.6 -34.6 -3.4 11.8 -23.3 29 55 A K G < S- 0 0 113 -3,-1.0 4,-0.4 1,-0.2 -1,-0.3 0.336 131.9 -97.3 -79.6 4.0 -5.5 13.7 -25.9 30 56 A G <> - 0 0 4 -3,-1.9 4,-1.8 1,-0.1 3,-0.4 0.308 35.0 -97.7 79.0 142.6 -7.7 14.9 -23.0 31 57 A F H > S+ 0 0 28 413,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.552 117.0 65.1 -81.1 -5.6 -10.9 13.1 -22.3 32 58 A C H > S+ 0 0 12 2,-0.2 4,-2.3 412,-0.2 -1,-0.2 0.919 107.7 44.0 -75.4 -40.8 -13.3 15.3 -24.1 33 59 A M H > S+ 0 0 92 -3,-0.4 4,-2.7 -4,-0.4 5,-0.2 0.946 113.3 52.6 -60.0 -50.4 -11.5 14.4 -27.3 34 60 A F H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.922 110.6 46.5 -47.7 -57.8 -11.5 10.7 -26.1 35 61 A D H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.912 112.1 51.3 -51.2 -47.5 -15.3 10.8 -25.5 36 62 A M H X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 111.0 47.4 -62.3 -41.1 -15.9 12.5 -28.9 37 63 A E H X S+ 0 0 97 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.823 109.9 53.3 -66.9 -33.6 -13.9 9.9 -30.7 38 64 A C H X S+ 0 0 5 -4,-1.9 4,-3.0 -5,-0.2 5,-0.4 0.900 108.1 50.5 -71.3 -38.3 -15.7 7.1 -28.9 39 65 A H H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.989 113.4 44.6 -57.6 -61.6 -19.0 8.5 -29.9 40 66 A K H < S+ 0 0 194 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.6 41.2 -48.4 -48.0 -18.0 8.7 -33.6 41 67 A K H < S+ 0 0 160 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.885 126.6 25.9 -72.2 -41.3 -16.4 5.2 -33.5 42 68 A Y H < S- 0 0 67 -4,-3.0 3,-0.4 1,-0.3 2,-0.3 0.614 92.7-134.1-110.0 -16.5 -19.0 3.2 -31.4 43 69 A G < - 0 0 31 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.1 -0.666 62.2 -16.8 95.4-150.2 -22.4 4.8 -31.7 44 70 A K S S+ 0 0 88 -2,-0.3 15,-1.3 1,-0.1 16,-0.4 0.592 125.7 31.7 -78.8 -8.7 -24.9 5.5 -29.0 45 71 A V E + C 0 58A 14 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.997 65.0 158.1-149.7 135.2 -23.5 3.3 -26.2 46 72 A W E - C 0 57A 0 11,-2.2 11,-2.3 -2,-0.3 2,-0.3 -0.978 24.0-135.5-155.7 171.5 -20.0 2.1 -25.2 47 73 A G E + C 0 56A 2 -34,-2.3 2,-0.3 -2,-0.3 9,-0.2 -0.948 22.3 161.0-133.4 147.4 -17.7 0.8 -22.5 48 74 A F E - C 0 55A 1 7,-1.7 7,-3.1 -2,-0.3 2,-0.5 -0.956 31.0-114.1-157.7 172.0 -14.2 1.6 -21.3 49 75 A Y E - C 0 54A 6 -2,-0.3 -26,-2.8 5,-0.2 2,-1.5 -0.946 3.3-158.7-126.2 117.6 -12.0 1.1 -18.2 50 76 A D E > S-BC 22 53A 5 3,-3.0 3,-1.6 -2,-0.5 2,-0.8 -0.726 83.5 -58.1 -85.4 83.2 -10.5 3.7 -15.9 51 77 A G T 3 S- 0 0 0 -2,-1.5 148,-0.1 -30,-1.2 149,-0.1 -0.708 124.1 -15.5 77.5-107.4 -7.8 1.3 -14.7 52 78 A Q T 3 S+ 0 0 56 -2,-0.8 -1,-0.3 147,-0.7 147,-0.1 0.508 117.4 103.7 -99.6 -8.6 -9.9 -1.7 -13.4 53 79 A Q E < -C 50 0A 62 -3,-1.6 -3,-3.0 146,-0.2 2,-0.2 -0.662 66.0-138.8 -86.2 119.8 -13.1 0.3 -13.3 54 80 A P E -C 49 0A 18 0, 0.0 304,-2.0 0, 0.0 2,-0.5 -0.510 17.7-168.7 -68.7 134.2 -15.7 -0.2 -16.0 55 81 A V E -Cd 48 358A 0 -7,-3.1 -7,-1.7 -2,-0.2 2,-0.8 -0.974 7.1-157.3-128.4 120.3 -17.4 2.9 -17.3 56 82 A L E -Cd 47 359A 2 302,-2.5 304,-2.5 -2,-0.5 2,-0.3 -0.838 9.2-154.7 -96.8 110.1 -20.5 2.6 -19.5 57 83 A A E -Cd 46 360A 0 -11,-2.3 -11,-2.2 -2,-0.8 2,-0.3 -0.665 13.9-171.8 -80.9 135.9 -21.0 5.7 -21.6 58 84 A I E +C 45 0A 0 302,-2.0 -13,-0.2 -2,-0.3 -14,-0.0 -0.943 21.5 171.6-126.6 148.5 -24.6 6.2 -22.7 59 85 A T + 0 0 6 -15,-1.3 -14,-0.1 -2,-0.3 -1,-0.1 0.401 40.1 117.5-136.5 -1.4 -26.1 8.8 -25.1 60 86 A D > - 0 0 59 -16,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.634 60.1-140.9 -71.5 119.5 -29.8 7.8 -25.6 61 87 A P H > S+ 0 0 18 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.835 101.6 48.4 -47.9 -42.8 -32.0 10.7 -24.3 62 88 A D H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.917 111.4 47.5 -64.6 -47.2 -34.4 8.3 -22.8 63 89 A M H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 110.3 53.4 -65.3 -39.6 -31.8 6.2 -21.0 64 90 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.893 109.3 48.5 -59.6 -42.5 -30.2 9.3 -19.7 65 91 A K H X>S+ 0 0 63 -4,-1.7 4,-2.1 -5,-0.2 5,-2.1 0.855 108.7 55.7 -65.5 -37.3 -33.6 10.4 -18.2 66 92 A T H <>S+ 0 0 7 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.939 116.8 33.2 -58.5 -50.0 -34.0 7.0 -16.7 67 93 A V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.837 124.5 41.8 -83.2 -34.9 -30.7 7.1 -14.8 68 94 A L H <5S+ 0 0 0 -4,-2.7 337,-0.4 -5,-0.2 -3,-0.2 0.894 137.1 7.4 -76.5 -38.2 -30.5 10.8 -14.0 69 95 A V T ><5S+ 0 0 50 -4,-2.1 3,-0.7 -5,-0.3 4,-0.3 0.852 126.6 43.3-111.7 -56.1 -34.2 11.1 -13.1 70 96 A K T 3 XS+ 0 0 67 -5,-2.8 5,-2.6 -6,-0.2 4,-2.2 0.023 84.8 113.1-119.6 28.1 -33.9 5.6 -11.0 72 98 A C T <45S+ 0 0 1 -3,-0.7 -1,-0.1 3,-0.2 -2,-0.1 0.971 84.0 35.9 -63.8 -58.3 -31.8 8.1 -9.0 73 99 A Y T 45S+ 0 0 136 -4,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.864 124.0 44.0 -60.3 -38.7 -33.0 7.2 -5.5 74 100 A S T 45S- 0 0 46 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.907 135.2 -10.1 -84.5 -46.4 -33.2 3.5 -6.3 75 101 A V T <5S+ 0 0 3 -4,-2.2 268,-2.3 1,-0.1 2,-0.9 0.732 126.7 48.3-123.3 -46.4 -30.1 2.6 -8.2 76 102 A F < + 0 0 0 -5,-2.6 266,-0.1 266,-0.2 -2,-0.1 -0.572 65.3 128.9-105.1 74.1 -28.0 5.6 -9.4 77 103 A T + 0 0 4 -2,-0.9 2,-0.3 264,-0.4 -1,-0.2 0.779 57.8 50.5 -97.1 -31.6 -27.6 7.7 -6.3 78 104 A N B -E 341 0A 9 263,-0.5 263,-3.5 -3,-0.3 18,-0.1 -0.802 67.7-128.5-120.7 152.4 -23.9 8.5 -6.0 79 105 A R - 0 0 82 -2,-0.3 261,-0.1 16,-0.2 262,-0.1 -0.187 51.8 -73.1 -79.5 178.7 -21.0 9.7 -8.1 80 106 A R - 0 0 49 1,-0.1 2,-0.7 260,-0.1 -1,-0.2 -0.369 46.1-114.8 -63.4 151.8 -17.7 7.9 -8.3 81 107 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 -0.880 36.9-168.4 -87.2 122.7 -15.5 8.0 -5.3 82 108 A F - 0 0 70 -2,-0.7 122,-0.1 1,-0.2 -2,-0.0 0.886 42.7 -53.2 -84.8 -42.8 -12.6 10.0 -6.7 83 109 A G S S- 0 0 6 120,-0.0 2,-0.4 121,-0.0 -1,-0.2 -0.885 84.0 -29.5-174.2-163.3 -9.7 9.9 -4.3 84 110 A P + 0 0 0 0, 0.0 130,-1.2 0, 0.0 113,-0.0 -0.614 53.2 162.6 -83.0 122.8 -8.8 10.6 -0.6 85 111 A V > - 0 0 10 -2,-0.4 3,-1.5 1,-0.2 2,-0.3 0.667 17.3-168.1-114.8 -26.3 -11.0 13.3 0.9 86 112 A G G > S- 0 0 20 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.499 77.8 -0.2 67.8-128.7 -10.7 13.0 4.7 87 113 A F G > S+ 0 0 42 1,-0.3 3,-1.8 -2,-0.3 -1,-0.3 0.728 120.3 77.1 -66.8 -21.8 -13.3 15.2 6.4 88 114 A M G X + 0 0 3 -3,-1.5 3,-2.8 1,-0.3 -1,-0.3 0.610 66.3 95.9 -65.9 -8.6 -14.7 16.4 3.0 89 115 A K G < S+ 0 0 89 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.863 79.4 58.3 -38.8 -39.7 -16.3 12.9 3.0 90 116 A S G < S+ 0 0 25 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.3 0.364 76.7 121.3 -81.8 4.0 -19.3 14.8 4.4 91 117 A A X> - 0 0 0 -3,-2.8 3,-3.4 1,-0.1 4,-3.3 -0.541 69.9-125.6 -77.9 130.3 -19.7 17.2 1.5 92 118 A I T 34 S+ 0 0 10 -2,-0.3 -1,-0.1 1,-0.3 12,-0.1 0.801 110.3 53.2 -39.7 -43.8 -23.0 17.1 -0.3 93 119 A S T 34 S+ 0 0 40 1,-0.2 -1,-0.3 170,-0.1 -14,-0.2 0.680 121.7 30.8 -68.3 -16.5 -21.4 16.5 -3.7 94 120 A I T <4 S+ 0 0 43 -3,-3.4 -2,-0.2 -6,-0.2 -1,-0.2 0.621 93.9 107.9-117.6 -32.6 -19.4 13.5 -2.3 95 121 A A < - 0 0 0 -4,-3.3 2,-0.3 -7,-0.1 -16,-0.2 -0.183 60.8-141.6 -46.8 142.1 -21.9 12.3 0.4 96 122 A E >> - 0 0 78 -7,-0.1 3,-1.2 -18,-0.1 4,-1.2 -0.795 44.1 -33.1-113.8 153.4 -23.6 9.0 -0.6 97 123 A D H 3> S+ 0 0 53 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.016 124.6 6.7 50.0-132.5 -27.1 7.7 -0.0 98 124 A E H 3> S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.775 129.4 56.6 -49.9 -39.3 -29.0 8.8 3.2 99 125 A E H <> S+ 0 0 80 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.954 110.1 45.2 -64.8 -47.0 -26.3 11.2 4.2 100 126 A W H X S+ 0 0 4 -4,-1.2 4,-3.3 -3,-0.2 -2,-0.2 0.914 108.3 57.5 -59.3 -48.4 -26.6 13.0 0.9 101 127 A K H X S+ 0 0 110 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 109.9 43.1 -51.3 -47.9 -30.5 13.0 1.0 102 128 A R H X S+ 0 0 126 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.863 114.4 49.6 -71.8 -33.4 -30.6 14.8 4.3 103 129 A L H X S+ 0 0 11 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.895 110.6 53.3 -67.2 -40.2 -27.8 17.3 3.3 104 130 A R H X S+ 0 0 46 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.963 112.9 40.3 -57.8 -52.5 -29.8 17.9 0.1 105 131 A S H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.790 117.5 51.2 -73.4 -22.9 -33.0 18.7 1.9 106 132 A L H < S+ 0 0 43 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.922 120.1 32.0 -71.1 -47.1 -31.2 20.7 4.5 107 133 A L H >< S+ 0 0 1 -4,-3.0 3,-1.4 1,-0.2 4,-0.3 0.635 99.7 81.4 -90.5 -14.9 -29.2 22.9 2.0 108 134 A S G >< S+ 0 0 45 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.866 80.5 63.7 -62.5 -41.0 -31.7 23.1 -0.8 109 135 A P G > S+ 0 0 49 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.563 84.2 82.3 -64.4 -4.5 -33.9 25.9 0.6 110 136 A T G < S+ 0 0 1 -3,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.840 90.6 49.1 -61.4 -35.8 -30.7 28.2 0.4 111 137 A F G < S+ 0 0 22 -3,-1.8 -1,-0.2 -4,-0.3 2,-0.2 -0.435 78.3 131.0-112.0 58.0 -31.4 28.8 -3.3 112 138 A T S <> S- 0 0 61 -3,-0.6 4,-2.9 -2,-0.4 5,-0.2 -0.603 70.4-103.9-100.7 167.4 -35.1 29.8 -3.4 113 139 A S H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.891 120.6 48.2 -64.1 -44.1 -36.4 32.9 -5.2 114 140 A G H > S+ 0 0 43 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 114.8 46.3 -60.8 -41.6 -36.9 35.0 -2.1 115 141 A K H 4 S+ 0 0 44 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.836 113.7 48.8 -73.6 -34.6 -33.4 34.0 -0.8 116 142 A L H >< S+ 0 0 2 -4,-2.9 3,-2.1 1,-0.2 4,-0.5 0.954 108.5 53.9 -61.0 -51.9 -31.9 34.8 -4.3 117 143 A K H >< S+ 0 0 99 -4,-3.3 3,-0.8 1,-0.3 -2,-0.2 0.777 102.9 57.8 -53.8 -32.5 -33.7 38.1 -4.3 118 144 A E T 3< S+ 0 0 97 -4,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.607 103.5 53.2 -77.2 -12.9 -32.1 39.0 -1.0 119 145 A M T <> S+ 0 0 2 -3,-2.1 4,-2.3 -4,-0.4 -1,-0.2 0.444 89.3 82.1 -95.6 -5.6 -28.7 38.5 -2.5 120 146 A V H <> S+ 0 0 14 -3,-0.8 4,-2.2 -4,-0.5 -2,-0.2 0.966 96.6 38.3 -66.3 -54.7 -29.5 41.0 -5.4 121 147 A P H > S+ 0 0 88 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.849 113.1 59.8 -63.7 -28.8 -28.7 44.2 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-38.7 -16.7 48.1 -12.7 132 158 A R H X S+ 0 0 117 -4,-1.0 4,-0.6 1,-0.2 -1,-0.2 0.789 107.2 50.6 -65.2 -32.2 -14.4 50.4 -10.7 133 159 A N H X S+ 0 0 19 -4,-1.7 4,-0.7 -3,-0.4 -1,-0.2 0.861 114.3 43.4 -74.0 -35.3 -11.6 47.8 -11.0 134 160 A L H >X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 3,-1.0 0.908 102.7 64.6 -74.2 -44.1 -12.1 47.6 -14.8 135 161 A R H 3X S+ 0 0 98 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.736 102.9 51.7 -53.1 -27.4 -12.4 51.3 -15.4 136 162 A R H 3X S+ 0 0 120 -4,-0.6 4,-1.0 2,-0.2 -1,-0.3 0.805 110.5 44.8 -80.6 -33.8 -8.8 51.7 -14.3 137 163 A E H S+ 0 0 89 -3,-1.0 5,-0.6 -4,-0.7 4,-0.5 0.696 108.9 58.7 -82.7 -22.1 -7.4 49.0 -16.5 138 164 A A H <5S+ 0 0 17 -4,-2.1 322,-0.2 2,-0.2 -1,-0.2 0.760 99.3 59.1 -73.7 -29.4 -9.4 50.4 -19.4 139 165 A E H <5S+ 0 0 148 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.952 104.0 49.5 -60.6 -51.9 -7.7 53.8 -18.9 140 166 A T H <5S- 0 0 90 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.664 97.3-140.4 -64.9 -20.1 -4.2 52.2 -19.5 141 167 A G T <5 + 0 0 40 -4,-0.5 -3,-0.1 1,-0.2 -1,-0.1 0.561 56.4 138.7 69.0 9.4 -5.4 50.5 -22.7 142 168 A K < - 0 0 133 -5,-0.6 -1,-0.2 1,-0.1 316,-0.1 -0.731 60.8 -85.1 -99.7 136.5 -3.3 47.6 -21.6 143 169 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 314,-0.2 0.217 41.1-144.2 -44.3 148.1 -4.4 43.9 -21.9 144 170 A V E -G 456 0B 11 312,-1.7 312,-1.7 -6,-0.0 2,-0.7 -0.938 11.2-144.1-121.6 137.5 -6.5 42.2 -19.2 145 171 A T E > -G 455 0B 40 -2,-0.4 4,-1.5 310,-0.2 3,-0.4 -0.895 16.3-163.3 -96.3 108.2 -6.7 38.7 -17.7 146 172 A L H > S+ 0 0 1 308,-1.9 4,-3.2 -2,-0.7 5,-0.4 0.802 83.5 63.7 -69.3 -33.5 -10.3 38.2 -17.1 147 173 A K H > S+ 0 0 38 307,-0.4 4,-3.1 2,-0.2 -1,-0.3 0.932 104.6 49.7 -51.0 -50.5 -9.9 35.2 -14.7 148 174 A D H > S+ 0 0 106 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.959 116.5 37.2 -54.1 -59.9 -8.1 37.6 -12.4 149 175 A V H X S+ 0 0 24 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.888 121.4 45.7 -71.1 -37.3 -10.6 40.4 -12.3 150 176 A F H X S+ 0 0 2 -4,-3.2 4,-2.3 2,-0.2 3,-0.4 0.961 106.0 60.3 -64.3 -54.1 -13.6 38.0 -12.4 151 177 A G H X S+ 0 0 1 -4,-3.1 4,-2.2 -5,-0.4 -2,-0.2 0.870 104.2 49.6 -35.5 -54.7 -12.2 35.7 -9.7 152 178 A A H X S+ 0 0 18 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.893 109.2 51.9 -59.7 -43.0 -12.1 38.4 -7.2 153 179 A Y H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -1,-0.2 0.936 109.7 49.9 -55.6 -49.5 -15.7 39.4 -7.9 154 180 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.884 109.7 50.4 -58.7 -45.0 -16.9 35.8 -7.4 155 181 A M H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.906 111.5 47.9 -61.7 -44.6 -15.1 35.5 -4.1 156 182 A D H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.920 114.1 48.6 -60.7 -42.7 -16.6 38.7 -2.8 157 183 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 5,-0.2 0.884 115.9 41.1 -67.6 -42.0 -20.1 37.5 -4.0 158 184 A I H X S+ 0 0 3 -4,-2.9 4,-2.3 113,-0.2 5,-0.5 0.964 114.0 48.8 -73.9 -49.0 -19.9 34.1 -2.5 159 185 A T H X S+ 0 0 9 -4,-2.4 6,-1.3 1,-0.2 4,-1.0 0.873 116.1 45.1 -58.2 -38.8 -18.3 34.9 0.9 160 186 A S H X S+ 0 0 7 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.841 117.0 41.6 -77.9 -35.7 -20.8 37.7 1.5 161 187 A T H < S+ 0 0 0 -4,-1.5 82,-0.4 -5,-0.2 -2,-0.2 0.933 118.2 41.2 -77.5 -50.6 -24.0 35.8 0.4 162 188 A S H < S+ 0 0 0 -4,-2.3 82,-3.6 -5,-0.2 83,-0.3 0.819 137.3 14.3 -69.0 -29.1 -23.4 32.4 2.0 163 189 A F H < S- 0 0 1 -4,-1.0 -3,-0.2 -5,-0.5 -2,-0.2 0.639 92.7-120.4-121.9 -26.2 -22.0 33.8 5.3 164 190 A G < + 0 0 46 -4,-0.9 2,-0.7 -5,-0.5 -4,-0.2 0.729 68.2 134.3 82.9 24.3 -22.7 37.5 5.5 165 191 A V - 0 0 42 -6,-1.3 2,-0.4 -9,-0.1 -1,-0.2 -0.841 43.8-157.0-115.5 94.8 -19.0 38.3 5.6 166 192 A N + 0 0 95 -2,-0.7 -10,-0.1 -6,-0.2 -9,-0.1 -0.563 14.9 177.0 -63.6 122.7 -17.9 41.2 3.4 167 193 A I - 0 0 30 -2,-0.4 10,-0.1 -11,-0.1 -1,-0.1 0.017 35.4-128.8-128.2 25.5 -14.2 40.7 2.8 168 194 A D > + 0 0 73 1,-0.2 3,-1.2 -12,-0.1 4,-0.4 0.506 49.1 155.5 55.5 10.5 -13.2 43.4 0.4 169 195 A S G > S+ 0 0 2 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.731 72.0 53.5 -47.6 -31.6 -11.5 41.0 -2.0 170 196 A L G 3 S+ 0 0 10 1,-0.2 -1,-0.3 -18,-0.2 -17,-0.1 0.887 109.4 45.8 -69.7 -44.7 -12.1 43.4 -4.9 171 197 A N G < S+ 0 0 70 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.282 109.8 73.9 -76.0 9.4 -10.4 46.3 -3.0 172 198 A N < + 0 0 62 -3,-0.6 -1,-0.2 -4,-0.4 -5,-0.0 -0.800 44.0 165.3-131.0 90.1 -7.7 43.7 -2.3 173 199 A P S S+ 0 0 130 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.980 87.0 54.7 -57.3 -55.0 -5.3 42.6 -5.0 174 200 A Q S S+ 0 0 179 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.741 82.0 150.6 -79.9 113.9 -3.3 41.1 -2.1 175 201 A D > - 0 0 18 -2,-0.7 4,-1.3 1,-0.1 3,-0.5 -0.915 44.2-152.4-155.9 117.0 -5.9 38.8 -0.4 176 202 A P H > S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.747 92.1 63.1 -58.9 -27.2 -5.6 35.5 1.6 177 203 A F H > S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 46,-0.0 0.824 106.2 38.4 -79.8 -34.0 -9.1 34.3 0.7 178 204 A V H > S+ 0 0 19 -3,-0.5 4,-1.9 2,-0.1 -1,-0.2 0.892 117.3 51.0 -75.1 -44.5 -8.8 33.9 -3.2 179 205 A E H X S+ 0 0 118 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.897 109.5 47.4 -63.9 -47.8 -5.2 32.6 -3.1 180 206 A N H < S+ 0 0 47 -4,-1.8 3,-0.4 2,-0.1 -1,-0.2 0.867 114.0 51.9 -60.9 -37.5 -5.7 29.8 -0.5 181 207 A T H < S+ 0 0 2 -4,-0.7 3,-0.4 -5,-0.2 -2,-0.2 0.996 99.6 54.9 -61.5 -72.7 -8.8 28.7 -2.4 182 208 A K H >< S+ 0 0 72 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.526 95.9 69.5 -48.3 -14.0 -7.7 28.3 -6.1 183 209 A K T 3< S+ 0 0 116 -4,-0.6 -1,-0.3 -3,-0.4 36,-0.2 -0.190 72.3 100.8 -94.3 40.0 -4.9 25.8 -5.0 184 210 A L T 3 S+ 0 0 7 -3,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.631 78.4 41.9-103.6 -22.3 -7.6 23.3 -4.1 185 211 A L < + 0 0 58 -3,-0.5 -1,-0.3 30,-0.1 30,-0.1 -0.887 48.0 175.3-131.6 105.7 -7.3 21.0 -7.2 186 212 A R + 0 0 108 28,-0.5 2,-0.3 -2,-0.4 8,-0.2 0.124 34.2 164.4 -80.4 19.9 -3.9 20.1 -8.6 187 213 A F + 0 0 51 258,-0.1 259,-0.6 6,-0.1 260,-0.4 -0.206 9.8 124.8 -63.5 104.9 -5.9 17.9 -11.0 188 214 A D - 0 0 67 -2,-0.3 7,-0.4 3,-0.2 6,-0.4 -0.982 61.6-135.0-150.4 156.7 -3.9 16.8 -14.0 189 215 A F S S+ 0 0 35 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.587 115.9 54.5 -85.9 -14.9 -2.9 13.6 -15.8 190 216 A L S S+ 0 0 169 -3,-0.0 -1,-0.2 4,-0.0 -3,-0.1 0.764 90.5 83.5 -79.3 -33.6 0.6 15.2 -15.9 191 217 A D S > S- 0 0 48 1,-0.2 4,-1.0 -5,-0.1 3,-0.4 -0.657 83.7-145.8 -66.6 108.4 0.3 15.6 -12.1 192 218 A P T 4 S+ 0 0 98 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.691 85.9 68.3 -56.1 -18.5 1.4 12.0 -11.2 193 219 A F T >> S+ 0 0 55 2,-0.2 3,-1.7 1,-0.2 4,-1.0 0.975 98.5 38.8 -68.3 -63.3 -1.0 12.0 -8.3 194 220 A F H 3> S+ 0 0 3 -6,-0.4 4,-2.1 -3,-0.4 5,-0.2 0.761 111.8 61.1 -68.2 -23.1 -4.6 12.0 -9.7 195 221 A L H 3X S+ 0 0 55 -4,-1.0 4,-0.8 -7,-0.4 -1,-0.3 0.690 104.0 50.3 -71.1 -22.0 -3.4 9.6 -12.5 196 222 A S H <> S+ 0 0 52 -3,-1.7 4,-0.7 -4,-0.5 7,-0.2 0.687 116.7 38.6 -89.9 -19.7 -2.5 7.1 -9.7 197 223 A I H < S+ 0 0 9 -4,-1.0 -2,-0.2 2,-0.2 -3,-0.1 0.687 113.0 54.9-100.6 -27.6 -5.9 7.3 -8.0 198 224 A T H < S+ 0 0 31 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.919 125.9 26.3 -63.5 -49.8 -8.0 7.5 -11.2 199 225 A V H < S+ 0 0 5 -4,-0.8 -147,-0.7 -5,-0.2 -146,-0.2 0.905 128.8 47.6 -73.8 -42.4 -6.3 4.3 -12.2 200 226 A F >< + 0 0 54 -4,-0.7 3,-1.3 1,-0.2 4,-0.4 -0.676 51.3 161.9-121.4 83.9 -5.6 3.0 -8.8 201 227 A P G > + 0 0 71 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 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