==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 21-APR-13 4K9U . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.F.SEVRIOUKOVA,T.L..POULOS . 450 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 71.1 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 6.9 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 . 1 0.2 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 . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 1 1 2 2 0 1 0 1 1 2 0 1 1 0 0 0 0 0 0 1 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 1 2 1 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 77 0, 0.0 3,-6.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -44.1 30.7 57.3 15.4 2 28 A H T 3 + 0 0 195 1,-0.3 3,-0.5 2,-0.2 4,-0.0 0.667 360.0 62.8 -42.2 -14.9 28.3 60.1 15.0 3 29 A S T > S+ 0 0 45 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.585 76.5 85.1 -90.3 -12.3 25.9 57.4 15.5 4 30 A H T < S+ 0 0 19 -3,-6.3 -1,-0.2 1,-0.3 4,-0.2 0.566 82.4 63.0 -71.8 -5.0 27.1 56.5 19.0 5 31 A G T >> S+ 0 0 33 -3,-0.5 4,-2.9 -4,-0.3 3,-0.8 0.601 77.2 95.6 -86.1 -13.1 24.8 59.2 20.4 6 32 A L H <> S+ 0 0 37 -3,-1.9 4,-2.3 1,-0.3 5,-0.2 0.882 88.5 35.5 -50.8 -60.1 21.7 57.4 19.2 7 33 A F H 34>S+ 0 0 11 -4,-0.3 5,-2.0 2,-0.2 -1,-0.3 0.639 118.0 55.1 -71.4 -14.3 20.7 55.4 22.3 8 34 A K H <45S+ 0 0 142 -3,-0.8 3,-0.3 3,-0.2 -2,-0.2 0.907 112.7 41.1 -75.0 -45.5 21.9 58.3 24.5 9 35 A K H <5S+ 0 0 148 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.813 116.0 50.6 -71.8 -34.6 19.7 60.8 22.7 10 36 A L T <5S- 0 0 38 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.603 112.4-123.4 -77.4 -13.1 16.9 58.2 22.6 11 37 A G T 5 + 0 0 66 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.699 61.2 144.8 77.3 22.7 17.3 57.7 26.4 12 38 A I < - 0 0 20 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.788 46.8-122.3 -96.0 133.1 18.0 53.9 26.1 13 39 A P + 0 0 57 0, 0.0 34,-2.3 0, 0.0 29,-0.1 -0.088 46.4 128.5 -66.4 169.7 20.5 52.2 28.5 14 40 A G - 0 0 22 32,-0.2 2,-0.2 27,-0.1 34,-0.1 -0.807 61.0 -64.7 158.8 162.3 23.6 50.3 27.3 15 41 A P - 0 0 25 0, 0.0 34,-0.2 0, 0.0 8,-0.0 -0.538 63.0-110.7 -69.1 137.4 27.3 49.6 27.5 16 42 A T - 0 0 105 -2,-0.2 2,-0.1 1,-0.1 32,-0.0 -0.590 36.5-122.4 -79.4 131.7 29.0 52.7 26.2 17 43 A P - 0 0 25 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.426 9.3-135.7 -77.4 144.9 30.8 52.2 22.8 18 44 A L B > -A 22 0A 89 4,-2.1 4,-2.4 -2,-0.1 6,-0.1 -0.644 44.8 -82.7 -86.1 150.7 34.4 52.7 21.8 19 45 A P T 4 S- 0 0 87 0, 0.0 2,-3.7 0, 0.0 -1,-0.1 -0.238 104.9 -10.3 -51.8 142.0 35.1 54.5 18.5 20 46 A F T 4 S+ 0 0 148 1,-0.2 -2,-0.0 31,-0.1 0, 0.0 -0.248 133.4 62.8 66.5 -59.8 35.0 52.3 15.4 21 47 A L T >4 S- 0 0 61 -2,-3.7 30,-1.2 1,-0.2 3,-1.1 0.879 79.0-171.6 -65.2 -41.2 34.8 49.1 17.5 22 48 A G B 3< -AB 18 50A 2 -4,-2.4 -4,-2.1 1,-0.2 3,-0.3 -0.681 67.2 -32.9 83.2-137.5 31.5 49.8 19.2 23 49 A N T > S+ 0 0 8 26,-2.9 3,-2.4 -2,-0.3 4,-0.3 0.225 104.0 120.3 -98.7 14.1 30.7 47.3 21.9 24 50 A I G X + 0 0 9 -3,-1.1 3,-2.9 25,-0.3 -1,-0.2 0.854 61.9 63.0 -46.1 -48.7 32.5 44.6 19.9 25 51 A L G > S+ 0 0 101 1,-0.3 3,-1.2 -3,-0.3 -1,-0.3 0.676 89.4 71.9 -62.2 -11.7 35.1 43.8 22.5 26 52 A S G X> S+ 0 0 43 -3,-2.4 3,-1.2 1,-0.3 4,-0.6 0.715 80.0 73.4 -71.8 -20.7 32.3 42.7 24.8 27 53 A Y G <4 + 0 0 30 -3,-2.9 -1,-0.3 -4,-0.3 4,-0.2 0.364 68.5 94.0 -72.6 5.2 31.8 39.6 22.7 28 54 A H G <4 S+ 0 0 136 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.867 88.0 47.7 -68.5 -30.9 35.1 38.3 24.2 29 55 A K T <4 S- 0 0 78 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.2 0.983 130.3 -98.7 -60.3 -59.5 32.8 36.6 26.6 30 56 A G X - 0 0 6 -4,-0.6 4,-2.0 2,-0.1 3,-0.3 -0.544 32.2 -84.9 140.9 151.7 30.7 35.3 23.7 31 57 A F H > S+ 0 0 69 405,-0.8 4,-0.8 1,-0.2 406,-0.1 0.619 126.5 51.6 -60.8 -16.0 27.4 36.6 22.2 32 58 A C H > S+ 0 0 11 404,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 109.2 44.3 -92.0 -39.4 25.5 34.7 24.8 33 59 A M H > S+ 0 0 93 -3,-0.3 4,-3.4 2,-0.2 5,-0.3 0.965 111.9 55.2 -65.2 -51.8 27.2 35.9 28.0 34 60 A F H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.899 112.4 43.7 -38.8 -54.7 27.2 39.5 26.8 35 61 A D H X S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.908 113.4 49.6 -64.3 -49.7 23.4 39.3 26.3 36 62 A M H X S+ 0 0 42 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.962 114.4 45.5 -51.2 -56.2 22.7 37.5 29.6 37 63 A E H X S+ 0 0 91 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.892 111.3 52.7 -61.0 -40.5 24.7 40.1 31.4 38 64 A C H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.860 106.6 53.3 -63.0 -40.0 23.1 43.0 29.5 39 65 A H H X S+ 0 0 28 -4,-2.5 4,-1.7 2,-0.2 3,-0.4 0.987 112.2 44.0 -55.7 -59.6 19.7 41.7 30.5 40 66 A K H < S+ 0 0 173 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.856 118.4 44.7 -49.6 -42.6 20.6 41.6 34.2 41 67 A K H < S+ 0 0 152 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.746 124.7 26.0 -84.5 -26.5 22.3 45.0 34.1 42 68 A Y H >< S- 0 0 73 -4,-2.1 3,-0.7 -3,-0.4 2,-0.2 0.360 91.3-142.6-123.4 2.9 19.8 47.1 32.0 43 69 A G T 3< - 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.493 65.3 -1.7 74.5-132.3 16.4 45.5 32.6 44 70 A K T 3 S+ 0 0 92 -2,-0.2 15,-1.1 1,-0.1 2,-0.3 0.678 124.3 13.4 -77.5 -25.9 13.9 45.3 29.8 45 71 A V E < + C 0 58A 8 -3,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.990 62.9 163.4-153.8 142.3 15.4 47.0 26.8 46 72 A W E - C 0 57A 0 11,-1.6 11,-2.3 -2,-0.3 2,-0.3 -0.983 23.3-131.2-160.9 168.1 18.9 48.2 25.8 47 73 A G E + C 0 56A 2 -34,-2.3 2,-0.3 -2,-0.3 9,-0.2 -0.902 22.9 165.6-125.1 147.3 21.1 49.4 22.9 48 74 A F E - C 0 55A 0 7,-1.6 7,-3.2 -2,-0.3 2,-0.5 -0.935 30.5-111.5-148.9 178.6 24.6 48.5 21.8 49 75 A Y E - C 0 54A 6 -2,-0.3 -26,-2.9 5,-0.2 2,-1.4 -0.946 3.8-157.1-125.1 119.1 26.8 48.9 18.8 50 76 A D E > S-BC 22 53A 6 3,-3.5 3,-2.7 -2,-0.5 2,-2.1 -0.784 82.4 -62.5 -86.3 91.3 28.1 46.3 16.3 51 77 A G T 3 S- 0 0 0 -2,-1.4 143,-0.2 -30,-1.2 144,-0.1 -0.462 124.2 -14.6 63.1 -81.6 31.0 48.5 15.3 52 78 A Q T 3 S+ 0 0 56 -2,-2.1 -1,-0.3 142,-0.4 142,-0.1 0.316 116.3 101.8-129.7 -0.8 28.8 51.3 13.9 53 79 A Q E < -C 50 0A 56 -3,-2.7 -3,-3.5 140,-0.3 2,-0.3 -0.808 66.8-138.5 -93.8 117.4 25.5 49.4 13.7 54 80 A P E -C 49 0A 17 0, 0.0 296,-1.9 0, 0.0 2,-0.5 -0.568 19.1-168.6 -68.6 131.1 23.1 50.2 16.5 55 81 A V E -Cd 48 350A 0 -7,-3.2 -7,-1.6 -2,-0.3 2,-0.8 -0.974 7.8-154.8-126.9 118.5 21.3 47.1 17.8 56 82 A L E -Cd 47 351A 2 294,-1.6 296,-2.5 -2,-0.5 2,-0.3 -0.815 9.4-150.4 -94.0 107.5 18.3 47.5 20.1 57 83 A A E -Cd 46 352A 0 -11,-2.3 -11,-1.6 -2,-0.8 2,-0.4 -0.565 15.6-169.1 -70.7 134.1 17.7 44.5 22.4 58 84 A I E +C 45 0A 0 294,-2.2 -13,-0.2 -2,-0.3 -14,-0.0 -0.962 20.9 171.2-124.9 144.4 14.0 43.9 23.3 59 85 A T + 0 0 10 -15,-1.1 -14,-0.1 -2,-0.4 -1,-0.1 0.532 39.8 115.5-125.2 -8.2 12.6 41.6 25.9 60 86 A D > - 0 0 57 -16,-0.3 4,-3.2 1,-0.2 5,-0.2 -0.559 58.9-143.3 -73.9 118.4 8.8 42.4 26.3 61 87 A P H > S+ 0 0 13 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.749 103.8 47.8 -47.8 -32.4 6.7 39.5 25.1 62 88 A D H > S+ 0 0 98 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.943 111.7 45.8 -69.8 -54.3 4.3 42.0 23.7 63 89 A M H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.846 111.8 54.9 -64.6 -34.3 6.9 44.1 21.9 64 90 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.946 107.0 48.5 -60.2 -55.5 8.4 40.9 20.6 65 91 A K H X>S+ 0 0 66 -4,-1.6 4,-2.5 1,-0.2 5,-2.2 0.818 108.1 57.2 -52.9 -39.6 5.1 39.7 19.0 66 92 A T H <>S+ 0 0 25 -4,-2.1 5,-4.2 3,-0.2 -1,-0.2 0.949 114.5 35.4 -57.6 -51.3 4.7 43.2 17.5 67 93 A V H <5S+ 0 0 0 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.843 125.9 39.1 -79.7 -30.9 8.0 43.0 15.6 68 94 A L H <5S+ 0 0 0 -4,-2.8 329,-0.4 -5,-0.2 -3,-0.2 0.915 136.3 7.1 -82.2 -43.6 7.9 39.3 14.8 69 95 A V T ><5S+ 0 0 49 -4,-2.5 3,-0.9 -5,-0.3 4,-0.3 0.863 128.8 37.5-104.4 -65.6 4.2 38.9 14.0 70 96 A K T 3 XS+ 0 0 69 -5,-4.2 5,-2.1 -6,-0.2 4,-2.1 0.172 87.5 106.6-106.9 17.3 4.6 44.5 12.2 72 98 A C T <45S+ 0 0 0 -3,-0.9 -1,-0.2 3,-0.2 -2,-0.1 0.957 79.6 42.6 -60.7 -61.1 6.7 42.1 10.0 73 99 A Y T 45S+ 0 0 127 -4,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.805 121.5 39.9 -60.0 -32.9 5.5 42.8 6.5 74 100 A S T 45S- 0 0 42 -4,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.887 136.9 -7.1 -87.5 -44.0 5.4 46.6 6.9 75 101 A V T <5S+ 0 0 2 -4,-2.1 260,-2.6 -8,-0.1 2,-0.6 0.676 126.4 50.2-129.5 -38.2 8.5 47.5 9.0 76 102 A F < + 0 0 0 -5,-2.1 258,-0.2 258,-0.2 -2,-0.1 -0.525 67.2 126.8-108.5 67.9 10.5 44.5 10.3 77 103 A T + 0 0 2 -2,-0.6 2,-0.2 256,-0.4 -1,-0.2 0.792 58.3 51.2 -91.4 -30.6 10.8 42.4 7.1 78 104 A N B -E 333 0A 12 255,-0.7 255,-2.5 -3,-0.3 2,-0.2 -0.600 64.8-131.6-116.8 163.7 14.5 41.7 6.8 79 105 A R - 0 0 78 16,-0.3 253,-0.1 253,-0.3 -2,-0.1 -0.495 54.2 -71.2 -97.6 178.5 17.5 40.4 8.7 80 106 A R - 0 0 44 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.496 47.0-114.6 -68.4 134.1 20.8 42.2 8.9 81 107 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 -0.630 42.7-168.8 -66.0 130.0 22.8 42.1 5.6 82 108 A F - 0 0 101 -2,-0.4 111,-0.1 1,-0.1 110,-0.1 0.601 36.1 -45.6-113.0 -12.6 25.7 40.0 7.0 83 109 A G S S- 0 0 7 109,-0.1 2,-0.6 113,-0.0 -1,-0.1 -0.939 86.4 -33.1 176.3-157.6 28.8 39.8 4.7 84 110 A P + 0 0 0 0, 0.0 125,-1.5 0, 0.0 115,-0.0 -0.820 61.8 153.7 -89.9 116.9 29.8 39.1 1.1 85 111 A V > + 0 0 15 -2,-0.6 3,-1.8 123,-0.2 2,-0.1 0.706 14.5 177.5-120.9 -28.9 27.2 36.7 -0.4 86 112 A G G > S+ 0 0 31 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 -0.366 76.6 8.2 64.3-128.3 27.0 37.2 -4.1 87 113 A F G > S+ 0 0 51 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.726 119.7 73.9 -58.9 -25.1 24.6 34.8 -5.9 88 114 A M G X + 0 0 4 -3,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.414 69.9 90.6 -70.5 3.0 23.5 33.7 -2.4 89 115 A K G < S+ 0 0 151 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.822 83.1 56.8 -60.9 -28.7 21.8 37.0 -2.4 90 116 A S G < S+ 0 0 23 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.613 79.4 113.3 -81.4 -13.1 18.9 34.9 -3.9 91 117 A A S X> S- 0 0 0 -3,-0.7 4,-1.4 -4,-0.1 3,-1.0 -0.275 74.3-122.3 -59.1 148.0 18.7 32.4 -1.0 92 118 A I G >4 S+ 0 0 10 1,-0.2 3,-0.6 2,-0.2 12,-0.1 0.932 108.0 49.4 -57.8 -53.3 15.5 32.6 1.0 93 119 A S G 34 S+ 0 0 48 1,-0.2 -1,-0.2 162,-0.1 -14,-0.1 0.511 118.3 41.1 -68.5 -6.8 17.0 33.3 4.4 94 120 A I G <4 S+ 0 0 31 -3,-1.0 -1,-0.2 -6,-0.1 -2,-0.2 0.551 93.9 103.2-115.1 -19.5 19.2 36.1 3.0 95 121 A A << - 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0 0 36 0, 0.0 2,-0.4 0, 0.0 306,-0.2 0.288 50.9-138.5 -18.3 135.6 33.9 6.6 23.7 144 170 A V E -G 448 0B 20 304,-2.0 304,-2.4 -3,-0.1 2,-1.1 -0.936 6.6-131.9-113.1 131.0 31.9 7.6 20.6 145 171 A T E > -G 447 0B 41 -2,-0.4 4,-1.6 302,-0.2 3,-0.4 -0.671 21.0-166.7 -80.2 97.7 31.8 11.1 19.0 146 172 A L H > S+ 0 0 0 300,-2.3 4,-4.3 -2,-1.1 5,-0.3 0.859 80.7 61.3 -58.2 -41.9 28.1 11.5 18.6 147 173 A K H > S+ 0 0 45 299,-0.5 4,-4.1 2,-0.2 -1,-0.2 0.905 103.9 49.2 -52.9 -53.3 28.4 14.5 16.3 148 174 A D H > S+ 0 0 111 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.971 117.5 40.5 -42.3 -66.1 30.3 12.5 13.7 149 175 A V H X S+ 0 0 25 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.879 119.3 45.4 -61.4 -42.2 27.7 9.7 13.8 150 176 A F H X S+ 0 0 0 -4,-4.3 4,-3.3 -5,-0.2 -1,-0.2 0.944 110.5 56.1 -62.5 -48.1 24.8 12.1 13.9 151 177 A G H X S+ 0 0 2 -4,-4.1 4,-3.4 -5,-0.3 -2,-0.2 0.941 105.5 48.5 -45.1 -62.2 26.3 14.3 11.2 152 178 A A H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.847 113.8 48.9 -53.2 -36.5 26.5 11.5 8.6 153 179 A Y H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.982 110.8 49.4 -62.3 -56.7 22.9 10.7 9.5 154 180 A S H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.901 112.1 51.4 -47.1 -49.2 21.9 14.3 9.1 155 181 A M H >X S+ 0 0 2 -4,-3.4 4,-1.5 1,-0.2 3,-1.1 0.967 108.8 45.9 -53.7 -64.5 23.7 14.4 5.8 156 182 A D H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 11,-0.3 0.806 111.0 56.7 -51.3 -34.4 22.1 11.3 4.2 157 183 A V H 3X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.752 107.0 43.0 -75.6 -31.6 18.6 12.5 5.3 158 184 A I H XX>S+ 0 0 5 -4,-1.4 4,-1.7 -3,-1.1 5,-0.6 0.946 116.0 46.3 -80.1 -51.8 18.4 15.9 3.7 159 185 A T H 3X>S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.2 5,-1.4 0.974 112.7 50.9 -48.1 -62.7 20.0 15.0 0.3 160 186 A S H 3<5S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.3 6,-0.2 0.734 121.0 33.9 -51.6 -28.5 17.8 11.9 0.0 161 187 A T H <<5S+ 0 0 4 -4,-0.6 -2,-0.2 -3,-0.5 74,-0.2 0.943 116.9 41.8 -92.8 -69.7 14.6 13.9 0.8 162 188 A S H <5S+ 0 0 0 -4,-1.7 74,-3.5 1,-0.2 75,-0.3 0.712 136.5 20.5 -58.0 -21.3 14.7 17.4 -0.6 163 189 A F T < + 0 0 47 1,-0.2 4,-1.2 -12,-0.1 3,-0.5 0.743 32.7 168.7 63.2 31.1 24.9 6.5 1.3 169 195 A S T 4 S+ 0 0 6 1,-0.2 -1,-0.2 -17,-0.2 -16,-0.1 0.519 73.0 58.3 -50.5 -2.8 27.3 8.7 3.5 170 196 A L T 4 S+ 0 0 2 1,-0.1 -1,-0.2 -18,-0.1 -17,-0.1 0.853 99.9 43.9-108.3 -49.4 27.0 5.7 5.9 171 197 A N T 4 S+ 0 0 94 -3,-0.5 3,-0.2 1,-0.2 -2,-0.2 0.632 119.7 64.8 -62.8 -13.2 28.2 2.5 4.3 172 198 A N < + 0 0 69 -4,-1.2 -1,-0.2 1,-0.2 0, 0.0 -0.788 51.6 165.9-115.2 84.3 30.7 5.3 3.4 173 199 A P S S+ 0 0 106 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.856 79.3 72.8 -52.1 -34.4 32.7 6.7 6.3 174 200 A Q S S- 0 0 172 -3,-0.2 -3,-0.0 -4,-0.0 -4,-0.0 -0.765 76.9-176.2 -85.3 125.7 34.6 8.1 3.2 175 201 A D > - 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