==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUN-04 1W0E . COMPND 2 MOLECULE: CYTOCHROME P450 3A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.WILLIAMS,J.COSME,D.M.VINKOVIC,A.WARD,H.C.ANGOVE,P.J.DAY, . 450 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 68.0 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 . 29 6.4 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 . 2 0.4 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 . 31 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 1 2 0 0 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 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 . 3 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 25 A Y 0 0 216 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.0 72.5 111.2 12.3 2 26 A G + 0 0 7 20,-0.1 2,-0.4 21,-0.0 0, 0.0 -0.003 360.0 64.0 84.5 -30.3 73.4 107.6 13.3 3 27 A T + 0 0 59 1,-0.1 4,-0.2 2,-0.0 19,-0.1 -0.723 62.2 148.0-124.8 76.3 70.5 108.0 15.8 4 28 A H S > S+ 0 0 113 -2,-0.4 3,-0.9 1,-0.1 -1,-0.1 0.988 72.5 30.8 -75.2 -73.0 67.4 108.5 13.6 5 29 A S G > S+ 0 0 25 49,-0.5 3,-1.7 1,-0.2 4,-0.4 0.450 90.1 102.0 -69.5 1.8 64.5 106.9 15.5 6 30 A H G 3 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.707 71.5 62.2 -63.2 -19.0 65.9 107.6 19.0 7 31 A G G X> S+ 0 0 47 -3,-0.9 4,-2.3 -4,-0.2 3,-0.7 0.713 91.2 79.4 -77.4 -15.2 63.7 110.6 19.7 8 32 A L H <> S+ 0 0 27 -3,-1.7 4,-2.3 1,-0.2 5,-0.3 0.970 86.2 41.7 -56.2 -79.6 60.7 108.3 19.4 9 33 A F H 34>S+ 0 0 12 -4,-0.4 5,-0.9 1,-0.2 -1,-0.2 0.455 119.6 49.2 -57.9 3.5 60.1 106.3 22.6 10 34 A K H X45S+ 0 0 168 -3,-0.7 3,-0.7 3,-0.2 -1,-0.2 0.781 112.2 44.2-102.0 -51.4 60.9 109.4 24.6 11 35 A K H 3<5S+ 0 0 163 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.717 116.5 49.1 -65.9 -21.5 58.6 111.8 22.8 12 36 A L T 3<5S- 0 0 43 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.638 112.0-119.7 -92.5 -16.2 55.9 109.2 22.8 13 37 A G T < 5 + 0 0 64 -3,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.782 62.4 143.3 83.2 28.9 56.2 108.4 26.5 14 38 A I < - 0 0 12 -5,-0.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.887 44.7-129.1-106.1 129.6 57.1 104.7 26.2 15 39 A P + 0 0 59 0, 0.0 34,-2.6 0, 0.0 29,-0.1 -0.167 45.2 119.4 -69.7 167.1 59.6 103.2 28.6 16 40 A G - 0 0 20 32,-0.2 34,-0.2 27,-0.0 2,-0.1 -0.831 62.2 -50.3 154.4 167.9 62.7 101.1 27.5 17 41 A P - 0 0 21 0, 0.0 34,-0.2 0, 0.0 8,-0.0 -0.426 60.1-112.3 -67.3 137.7 66.5 100.7 27.5 18 42 A T - 0 0 108 -2,-0.1 2,-0.1 32,-0.1 32,-0.0 -0.611 37.3-128.6 -76.7 126.3 68.3 103.8 26.3 19 43 A P - 0 0 29 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.382 6.3-129.3 -79.1 150.1 70.1 103.2 22.9 20 44 A L B > -A 24 0A 81 4,-2.2 4,-0.7 -2,-0.1 6,-0.1 -0.522 41.3 -89.3 -91.1 161.2 73.6 103.8 21.8 21 45 A P T 4 S- 0 0 78 0, 0.0 -17,-0.1 0, 0.0 -15,-0.1 0.770 109.4 -3.1 -40.2 -53.4 74.5 105.8 18.5 22 46 A F T 4 S+ 0 0 118 2,-0.1 3,-0.1 -19,-0.1 -20,-0.1 0.695 136.3 48.5-117.0 -30.0 74.5 103.2 15.8 23 47 A L T >4 S- 0 0 62 1,-0.2 30,-1.3 31,-0.1 3,-0.9 0.867 78.4-176.0 -75.6 -40.2 73.9 99.9 17.6 24 48 A G B 3< -AB 20 52A 4 -4,-0.7 -4,-2.2 1,-0.2 -1,-0.2 -0.684 69.4 -17.6 77.0-113.8 70.9 101.2 19.5 25 49 A N T > S+ 0 0 8 26,-2.8 3,-1.3 -2,-0.8 -1,-0.2 0.250 100.2 111.7-112.9 18.0 70.0 98.4 21.8 26 50 A I G X + 0 0 12 -3,-0.9 3,-4.8 1,-0.2 4,-0.2 0.923 62.1 69.7 -59.9 -50.9 71.7 95.3 20.3 27 51 A L G > S+ 0 0 110 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.646 86.5 74.1 -42.9 -14.1 74.3 94.4 22.8 28 52 A S G X S+ 0 0 31 -3,-1.3 3,-0.9 1,-0.3 4,-0.4 0.664 81.1 70.8 -72.6 -16.7 71.4 93.4 25.0 29 53 A Y G < + 0 0 16 -3,-4.8 -1,-0.3 1,-0.2 -2,-0.2 0.286 66.3 99.9 -81.5 9.3 71.1 90.4 22.7 30 54 A H G < S+ 0 0 124 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.720 90.6 38.9 -69.3 -17.8 74.3 89.1 24.4 31 55 A K S < S- 0 0 93 -3,-0.9 2,-0.2 1,-0.4 -1,-0.2 0.712 124.4-102.4 -99.8 -26.8 72.0 86.9 26.4 32 56 A G > - 0 0 3 -4,-0.4 4,-1.3 1,-0.1 -1,-0.4 -0.745 34.3 -70.9 131.2 179.8 69.6 86.1 23.6 33 57 A F H > S+ 0 0 21 401,-0.7 4,-1.8 -2,-0.2 -1,-0.1 0.927 128.4 40.3 -74.7 -49.7 66.2 87.1 22.3 34 58 A C H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.890 114.1 53.5 -68.5 -41.3 64.1 85.5 25.1 35 59 A M H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 110.9 46.6 -59.6 -45.7 66.5 86.5 27.8 36 60 A F H X S+ 0 0 7 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.870 112.7 51.6 -63.5 -37.9 66.3 90.2 26.7 37 61 A D H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.834 107.0 50.7 -70.7 -35.5 62.5 89.9 26.5 38 62 A M H X S+ 0 0 55 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.979 111.9 48.1 -65.2 -54.1 62.0 88.5 30.0 39 63 A E H X S+ 0 0 109 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.918 112.6 49.2 -50.6 -49.9 64.1 91.2 31.5 40 64 A C H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.842 108.9 51.0 -61.3 -38.8 62.3 93.9 29.6 41 65 A H H X S+ 0 0 34 -4,-1.9 4,-0.9 -3,-0.3 -1,-0.2 0.928 113.9 44.9 -66.0 -44.4 58.8 92.7 30.5 42 66 A K H < S+ 0 0 187 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.992 122.0 36.3 -60.7 -60.9 59.7 92.7 34.2 43 67 A K H < S+ 0 0 150 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.938 124.6 33.6 -61.4 -57.7 61.4 96.0 34.2 44 68 A Y H >< S- 0 0 58 -4,-2.0 3,-0.6 -5,-0.2 2,-0.4 0.453 101.0-135.9 -85.6 1.9 59.5 98.2 31.8 45 69 A G T 3< - 0 0 31 -4,-0.9 -1,-0.2 -3,-0.4 3,-0.1 -0.685 55.9 -21.2 94.9-136.2 56.0 96.8 32.5 46 70 A K T 3 S+ 0 0 117 -2,-0.4 2,-0.3 1,-0.2 16,-0.3 0.657 128.6 28.5 -93.6 -21.9 53.4 95.8 29.9 47 71 A V < + 0 0 10 -3,-0.6 2,-0.3 13,-0.2 -1,-0.2 -0.994 69.9 142.8-143.6 134.7 54.6 98.0 27.0 48 72 A W E - C 0 59A 0 11,-1.2 11,-2.5 -2,-0.3 2,-0.3 -0.959 28.7-132.0-160.2 173.7 58.0 99.2 26.1 49 73 A G E + C 0 58A 2 -34,-2.6 2,-0.3 -2,-0.3 9,-0.2 -0.970 16.5 172.7-141.3 154.4 60.4 100.0 23.3 50 74 A F E - C 0 57A 0 7,-1.8 7,-3.2 -2,-0.3 2,-0.5 -0.917 30.0-111.8-146.7 170.7 63.9 99.4 22.1 51 75 A Y E - C 0 56A 7 -2,-0.3 -26,-2.8 5,-0.2 2,-1.5 -0.950 4.9-156.9-119.7 125.2 65.9 100.0 18.9 52 76 A D E > S-BC 24 55A 6 3,-3.5 2,-1.2 -2,-0.5 3,-0.7 -0.705 84.9 -54.7 -91.5 78.3 67.3 97.3 16.6 53 77 A G T 3 S- 0 0 0 -2,-1.5 148,-0.1 -30,-1.3 -2,-0.1 -0.734 122.6 -22.2 86.6 -96.8 69.9 99.7 15.4 54 78 A Q T 3 S+ 0 0 54 -2,-1.2 -49,-0.5 146,-0.5 -1,-0.2 0.030 116.5 106.6-132.0 18.8 67.8 102.6 14.3 55 79 A Q E < -C 52 0A 57 -3,-0.7 -3,-3.5 145,-0.1 2,-0.4 -0.915 67.2-138.0-104.3 117.1 64.7 100.5 13.9 56 80 A P E -C 51 0A 7 0, 0.0 291,-2.3 0, 0.0 2,-0.5 -0.638 17.9-168.3 -79.4 125.7 62.2 101.2 16.7 57 81 A V E -Cd 50 347A 0 -7,-3.2 -7,-1.8 -2,-0.4 2,-0.7 -0.942 5.8-160.7-121.3 112.5 60.5 98.1 18.1 58 82 A L E -Cd 49 348A 1 289,-1.6 291,-2.0 -2,-0.5 2,-0.8 -0.806 9.3-152.0 -94.1 114.5 57.5 98.4 20.4 59 83 A A E -Cd 48 349A 0 -11,-2.5 -11,-1.2 -2,-0.7 291,-0.2 -0.748 15.3-166.9 -87.3 108.1 56.8 95.3 22.5 60 84 A I + 0 0 2 289,-2.3 -13,-0.2 -2,-0.8 -11,-0.0 -0.511 19.5 167.4 -92.6 166.5 53.1 95.0 23.4 61 85 A T + 0 0 11 -2,-0.2 -14,-0.1 289,-0.1 -1,-0.1 0.484 40.5 106.3-148.0 -27.5 51.6 92.7 26.0 62 86 A D >> - 0 0 70 -16,-0.3 4,-2.3 1,-0.2 3,-1.2 -0.524 65.8-139.0 -67.9 117.8 48.0 93.5 26.8 63 87 A P H 3> S+ 0 0 12 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.696 101.5 64.5 -49.6 -20.8 45.9 90.8 25.1 64 88 A D H 3> S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 3,-0.1 0.942 108.3 37.7 -70.8 -45.8 43.5 93.6 24.0 65 89 A M H <> S+ 0 0 10 -3,-1.2 4,-1.6 1,-0.2 5,-0.3 0.909 111.4 62.1 -67.9 -43.7 46.2 95.3 21.9 66 90 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.843 104.6 45.9 -52.6 -39.1 47.5 91.9 20.8 67 91 A K H X>S+ 0 0 89 -4,-1.5 4,-1.6 1,-0.2 5,-1.2 0.854 107.7 58.0 -74.5 -33.2 44.2 90.9 19.1 68 92 A T H <5S+ 0 0 25 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.829 115.3 34.9 -66.2 -31.9 43.8 94.3 17.4 69 93 A V H <5S+ 0 0 5 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.788 122.6 44.5 -91.1 -33.7 47.2 93.9 15.6 70 94 A L H <5S+ 0 0 1 -4,-1.9 324,-0.3 -5,-0.3 -2,-0.2 0.589 135.5 12.8 -86.0 -11.5 47.0 90.1 15.1 71 95 A V T ><5S+ 0 0 38 -4,-1.6 2,-2.4 321,-0.2 3,-0.8 0.652 116.8 59.3-128.4 -55.4 43.4 90.3 13.9 72 96 A K T 3 + 0 0 1 -2,-2.4 2,-2.0 -3,-0.1 4,-0.7 0.472 33.9 143.1-155.1 -8.3 44.7 94.1 10.5 74 98 A C T <4 S- 0 0 70 -3,-0.8 5,-0.1 1,-0.3 -4,-0.0 -0.179 110.7 -37.9 -50.1 80.7 43.9 92.5 7.1 75 99 A Y T 4 S+ 0 0 120 -2,-2.0 -1,-0.3 3,-0.7 4,-0.1 0.125 119.5 120.6 80.3 -16.5 45.7 95.4 5.3 76 100 A S T 4 S- 0 0 67 2,-0.1 -2,-0.2 1,-0.1 -3,-0.1 0.863 100.0 -59.7 -39.4 -57.3 44.1 97.5 8.0 77 101 A V S < S+ 0 0 3 1,-0.8 255,-1.0 -4,-0.7 2,-0.1 0.081 124.9 54.2-156.5 -67.4 47.5 98.8 9.3 78 102 A F E +E 331 0A 0 -6,-0.3 -1,-0.8 253,-0.2 -3,-0.7 -0.465 57.8 121.1 -78.4 150.1 49.6 95.8 10.3 79 103 A T E + 0 0 2 251,-0.6 2,-0.2 1,-0.5 -1,-0.2 0.228 55.0 64.4-174.7 -39.7 50.1 93.0 7.8 80 104 A N E -E 330 0A 9 250,-0.5 250,-2.7 18,-0.1 -1,-0.5 -0.545 68.1-125.6-102.6 167.7 53.7 92.4 7.0 81 105 A R - 0 0 70 16,-0.3 248,-0.2 248,-0.2 -1,-0.0 -0.601 48.6 -68.6-104.6 170.5 56.7 91.2 9.0 82 106 A R - 0 0 50 -2,-0.2 2,-0.4 246,-0.1 -1,-0.1 -0.319 54.6-123.4 -57.6 134.8 60.1 92.8 9.5 83 107 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.690 34.7-169.0 -83.3 135.0 62.0 92.7 6.2 84 108 A F - 0 0 42 -2,-0.4 3,-0.2 1,-0.3 132,-0.1 -0.561 31.2 -36.7-116.4-176.8 65.4 91.0 6.5 85 109 A G S S- 0 0 2 -2,-0.2 -1,-0.3 1,-0.2 131,-0.1 0.463 94.0 -40.9 -27.3 172.9 68.6 90.6 4.4 86 110 A P + 0 0 0 0, 0.0 130,-3.2 0, 0.0 131,-0.3 -0.212 57.7 178.3 -49.6 112.1 68.8 90.1 0.6 87 111 A V > - 0 0 12 -3,-0.2 3,-1.4 128,-0.2 130,-0.2 0.746 11.1-173.7 -91.9 -29.5 65.9 87.7 -0.3 88 112 A G G > - 0 0 26 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.345 68.7 -10.8 68.0-149.0 66.2 87.5 -4.1 89 113 A F G > S+ 0 0 56 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.494 122.8 81.5 -64.3 -1.8 63.6 85.7 -6.1 90 114 A M G X + 0 0 0 -3,-1.4 3,-2.6 1,-0.2 -1,-0.3 0.436 58.9 96.3 -82.9 1.6 62.3 84.4 -2.7 91 115 A K G < S+ 0 0 153 -3,-1.8 -1,-0.2 1,-0.3 7,-0.2 0.432 78.4 63.9 -68.2 3.1 60.5 87.8 -2.3 92 116 A S G < S+ 0 0 28 -3,-0.6 -1,-0.3 5,-0.1 -2,-0.1 0.405 74.3 116.0-105.7 -3.4 57.7 85.6 -3.7 93 117 A A S <> S- 0 0 0 -3,-2.6 4,-2.0 1,-0.1 3,-0.5 -0.424 71.9-128.2 -66.0 142.5 57.6 83.3 -0.6 94 118 A I T 4 S+ 0 0 9 1,-0.2 -1,-0.1 2,-0.2 12,-0.1 0.834 109.9 48.8 -64.9 -32.9 54.3 83.6 1.2 95 119 A S T 4 S+ 0 0 41 1,-0.2 -1,-0.2 157,-0.1 -14,-0.2 0.730 120.2 39.4 -77.6 -19.2 56.0 84.2 4.6 96 120 A I T 4 S+ 0 0 38 -3,-0.5 -2,-0.2 -6,-0.2 -1,-0.2 0.588 95.8 101.5-102.3 -16.1 58.2 86.9 2.9 97 121 A A < - 0 0 4 -4,-2.0 2,-0.3 -5,-0.1 -16,-0.3 -0.260 59.1-143.2 -70.5 158.2 55.5 88.4 0.7 98 122 A E >> - 0 0 85 -7,-0.2 3,-0.9 -18,-0.1 4,-0.9 -0.881 39.4 -28.8-129.1 158.2 53.8 91.7 1.5 99 123 A D H 3> S- 0 0 47 -2,-0.3 4,-1.8 1,-0.2 3,-0.5 -0.093 120.8 -5.2 48.7-128.8 50.4 93.5 1.3 100 124 A E H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 132.2 60.0 -66.2 -36.2 48.0 92.6 -1.5 101 125 A E H <> S+ 0 0 104 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.808 106.7 49.6 -62.5 -27.0 50.6 90.2 -3.1 102 126 A W H X S+ 0 0 4 -4,-0.9 4,-3.1 -3,-0.5 5,-0.3 0.949 104.4 54.3 -75.3 -51.1 50.5 88.3 0.1 103 127 A K H X S+ 0 0 70 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.833 106.8 57.2 -52.3 -32.3 46.7 88.0 0.4 104 128 A R H < S+ 0 0 95 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.997 112.2 36.6 -60.5 -66.3 46.9 86.5 -3.1 105 129 A L H X S+ 0 0 6 -4,-1.4 4,-1.4 1,-0.2 3,-0.3 0.908 117.7 52.0 -53.4 -50.5 49.2 83.7 -2.2 106 130 A R H >X S+ 0 0 24 -4,-3.1 4,-1.9 1,-0.3 2,-1.9 0.966 111.3 47.0 -52.5 -58.9 47.8 83.1 1.3 107 131 A S H 3< S+ 0 0 77 -4,-2.3 -1,-0.3 -5,-0.3 -4,-0.0 -0.603 113.9 48.5 -85.7 77.3 44.3 82.8 -0.1 108 132 A L H 34 S+ 0 0 104 -2,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.036 113.5 42.6-179.6 -32.1 45.3 80.5 -2.9 109 133 A L H XX S+ 0 0 11 -4,-1.4 3,-2.0 -3,-1.0 4,-0.6 0.659 89.7 86.6-100.8 -26.4 47.4 78.0 -0.8 110 134 A S G >< S+ 0 0 51 -4,-1.9 3,-1.6 -5,-0.3 -3,-0.1 0.844 84.5 59.5 -42.5 -42.3 44.9 77.8 2.1 111 135 A P G >4 S+ 0 0 62 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.871 97.8 60.9 -56.3 -36.8 43.0 75.0 0.1 112 136 A T G <4 S+ 0 0 7 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.662 104.7 48.1 -65.2 -19.2 46.3 73.0 0.2 113 137 A F G << S+ 0 0 27 -3,-1.6 -1,-0.3 -4,-0.6 2,-0.2 -0.063 83.6 128.1-115.7 35.2 46.2 72.9 4.0 114 138 A T X> - 0 0 49 -3,-1.2 3,-1.3 1,-0.1 4,-0.8 -0.511 69.6-101.5 -89.0 156.6 42.6 71.9 4.6 115 139 A S T 34 S+ 0 0 56 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 -0.616 114.2 43.5 -72.0 133.4 41.5 69.0 6.8 116 140 A G T 34 S+ 0 0 27 -2,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 -0.185 110.3 55.2 119.5 -40.3 40.7 66.3 4.3 117 141 A K T <4 S+ 0 0 66 -3,-1.3 4,-0.2 2,-0.1 -2,-0.2 0.499 112.1 48.0 -95.0 -11.8 43.7 66.9 2.2 118 142 A L S >X S+ 0 0 15 -4,-0.8 4,-1.6 2,-0.2 3,-1.5 0.867 107.2 50.4 -90.6 -48.5 45.5 66.3 5.5 119 143 A K T 34 S+ 0 0 104 1,-0.3 182,-0.2 2,-0.2 -2,-0.1 0.687 110.6 56.9 -62.4 -13.0 43.7 63.2 6.4 120 144 A E T 34 S+ 0 0 136 1,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.705 104.0 49.1 -88.3 -23.9 44.7 62.3 2.9 121 145 A M T <> S+ 0 0 21 -3,-1.5 4,-1.6 -4,-0.2 3,-0.4 0.683 88.2 87.4 -87.8 -22.5 48.4 62.8 3.6 122 146 A V H X S+ 0 0 8 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.884 79.0 60.2 -43.7 -56.2 48.4 60.7 6.7 123 147 A P H > S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.915 108.2 46.4 -39.0 -57.6 49.1 57.4 5.0 124 148 A I H > S+ 0 0 60 -3,-0.4 4,-1.1 -4,-0.3 -2,-0.2 0.882 111.9 48.7 -54.5 -47.5 52.4 58.8 3.6 125 149 A I H X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 3,-0.4 0.886 106.5 56.8 -63.6 -38.4 53.5 60.2 6.9 126 150 A A H >X S+ 0 0 25 -4,-2.9 4,-1.9 1,-0.2 3,-1.7 0.911 98.1 64.7 -57.9 -39.9 52.8 57.0 8.7 127 151 A Q H 3X S+ 0 0 91 -4,-1.7 4,-1.0 -5,-0.3 3,-0.3 0.905 106.9 39.8 -48.2 -49.3 55.1 55.4 6.2 128 152 A Y H 3X S+ 0 0 12 -4,-1.1 4,-1.0 -3,-0.4 -1,-0.3 0.468 103.7 69.4 -83.9 0.1 58.0 57.4 7.7 129 153 A G H X S+ 0 0 139 -4,-1.9 4,-1.1 1,-0.2 3,-0.7 0.977 113.4 43.7 -58.6 -57.4 63.4 50.9 12.6 135 159 A N H 3X S+ 0 0 11 -4,-2.7 4,-0.8 1,-0.3 -1,-0.2 0.734 113.8 52.5 -61.8 -21.8 66.3 53.4 12.7 136 160 A L H 3X S+ 0 0 1 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.3 0.759 99.7 63.3 -84.8 -25.2 65.6 54.0 16.4 137 161 A R H < S+ 0 0 17 -4,-0.7 3,-1.2 -3,-0.3 -1,-0.2 0.931 110.4 44.9 -82.6 -52.3 68.7 50.9 21.3 141 165 A E H 3< S+ 0 0 147 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.848 111.6 52.4 -57.8 -40.5 70.3 47.5 20.5 142 166 A T T 3< S- 0 0 89 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.645 103.5-137.7 -72.5 -13.4 73.7 49.1 20.3 143 167 A G < + 0 0 46 -3,-1.2 -3,-0.1 -5,-0.3 -2,-0.1 0.467 53.3 142.8 71.1 1.7 73.0 50.6 23.7 144 168 A K - 0 0 36 -5,-0.2 303,-0.4 1,-0.1 -1,-0.2 -0.574 60.2-106.2 -78.3 135.1 74.6 53.9 22.7 145 169 A P - 0 0 65 0, 0.0 301,-0.3 0, 0.0 2,-0.2 -0.383 43.5-122.4 -60.6 131.8 72.8 57.0 24.1 146 170 A V E -G 445 0B 3 299,-3.1 299,-2.7 -2,-0.1 2,-0.7 -0.489 6.3-139.0 -86.4 147.5 70.9 58.8 21.3 147 171 A T E >> -G 444 0B 46 297,-0.2 3,-0.9 1,-0.2 4,-0.8 -0.916 21.7-154.2-102.6 111.0 71.1 62.3 19.9 148 172 A L H >> S+ 0 0 1 295,-1.7 4,-2.0 -2,-0.7 3,-1.6 0.944 81.4 52.9 -50.7 -73.9 67.6 63.4 19.3 149 173 A K H 3> S+ 0 0 46 1,-0.3 4,-1.3 294,-0.2 -1,-0.2 0.582 103.0 64.5 -48.3 -9.2 67.5 66.0 16.6 150 174 A D H <> S+ 0 0 112 -3,-0.9 4,-0.9 2,-0.2 -1,-0.3 0.913 109.3 34.4 -81.3 -42.7 69.4 63.6 14.3 151 175 A V H + 0 0 32 -2,-0.3 4,-0.8 1,-0.2 6,-0.1 -0.465 36.8 171.7-105.6 59.6 65.3 57.1 3.5 171 195 A S T >4 + 0 0 6 -2,-0.6 3,-1.5 -17,-0.1 -1,-0.2 0.833 42.9 109.1 -27.9 -65.6 67.2 60.3 4.4 172 196 A L T 34 S- 0 0 7 -18,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.156 111.7 -65.7 -25.0 88.8 68.0 59.0 7.9 173 197 A N T 34 S+ 0 0 106 1,-0.2 -1,-0.3 -23,-0.1 -2,-0.1 0.647 123.9 89.0 26.4 31.7 71.8 58.3 7.5 174 198 A N S << S+ 0 0 67 -3,-1.5 2,-3.4 -4,-0.8 3,-0.2 0.395 106.9 3.0-116.6-103.9 71.0 55.6 5.0 175 199 A P S S+ 0 0 67 0, 0.0 5,-0.2 0, 0.0 -2,-0.1 -0.243 93.6 161.3 -80.7 62.7 70.7 56.9 1.4 176 200 A Q + 0 0 73 -2,-3.4 -3,-0.1 1,-0.2 -5,-0.1 0.394 53.9 43.2 -59.7 -5.0 71.7 60.1 3.2 177 201 A D S S+ 0 0 88 -3,-0.2 -1,-0.2 3,-0.1 -6,-0.0 -0.271 73.2 96.2-148.7 62.9 73.0 62.0 0.2 178 202 A P S S- 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.794 117.3 -22.1-104.6 -63.0 71.0 61.9 -3.1 179 203 A F S > S+ 0 0 26 2,-0.1 4,-1.0 -12,-0.1 5,-0.1 0.028 125.8 88.9-135.1 10.6 68.7 65.0 -3.1 180 204 A V H > S+ 0 0 1 -5,-0.2 4,-2.5 2,-0.2 -3,-0.1 0.694 71.3 65.9 -87.0 -25.6 69.1 65.2 0.7 181 205 A E H 4 S+ 0 0 79 2,-0.2 4,-0.4 1,-0.1 -1,-0.2 0.887 105.0 45.5 -67.2 -37.6 72.2 67.3 0.9 182 206 A N H >4 S+ 0 0 29 2,-0.2 3,-1.7 1,-0.1 4,-0.3 0.984 116.9 42.2 -65.7 -60.1 70.4 70.3 -0.6 183 207 A T H >< S+ 0 0 1 -4,-1.0 3,-2.6 1,-0.3 -2,-0.2 0.932 108.9 60.0 -51.7 -51.4 67.2 70.0 1.5 184 208 A K T 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.670 98.2 61.4 -54.0 -17.6 69.3 69.3 4.6 185 209 A K T < S+ 0 0 114 -3,-1.7 2,-1.6 -4,-0.4 -1,-0.3 0.529 75.1 97.3 -89.7 -6.4 71.0 72.7 4.1 186 210 A L < + 0 0 8 -3,-2.6 76,-0.4 -4,-0.3 2,-0.2 -0.536 56.1 160.0 -85.3 77.1 67.7 74.8 4.5 187 211 A L - 0 0 81 -2,-1.6 71,-0.1 1,-0.1 -2,-0.0 -0.532 46.1 -88.5 -97.0 162.0 68.1 75.7 8.2 188 212 A R - 0 0 34 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.273 48.3-107.3 -64.5 153.6 66.4 78.5 10.2 189 213 A F - 0 0 30 246,-0.0 2,-1.0 1,-0.0 -1,-0.1 -0.661 17.6-141.3 -85.1 139.9 68.3 81.8 10.2 190 214 A D > - 0 0 39 -2,-0.3 3,-1.9 1,-0.1 6,-0.3 -0.848 15.7-169.7 -98.0 98.6 70.0 82.9 13.4 191 215 A F T 3 S+ 0 0 70 -2,-1.0 -1,-0.1 244,-0.5 9,-0.1 0.514 81.8 60.5 -69.2 -0.8 69.3 86.6 13.4 192 216 A L T 3 S+ 0 0 23 4,-0.1 -1,-0.3 5,-0.0 244,-0.1 0.288 83.0 103.3-107.7 10.9 71.7 87.1 16.2 193 217 A D S <> S- 0 0 51 -3,-1.9 4,-2.6 242,-0.1 5,-0.3 -0.488 89.9 -93.9 -87.2 162.4 74.7 85.9 14.2 194 218 A P H > S+ 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.871 117.9 50.3 -39.4 -58.8 77.3 88.2 12.8 195 219 A F H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.936 117.7 35.3 -51.2 -61.0 75.9 88.5 9.2 196 220 A F H > S+ 0 0 13 -6,-0.3 4,-2.1 1,-0.2 5,-0.2 0.860 112.3 60.9 -64.4 -36.9 72.3 89.4 10.1 197 221 A L H X S+ 0 0 43 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.909 106.0 48.8 -57.1 -41.1 73.3 91.4 13.1 198 222 A S H X S+ 0 0 57 -4,-2.2 4,-3.4 -5,-0.3 3,-0.4 0.947 110.0 49.3 -61.9 -52.6 75.3 93.7 10.8 199 223 A I H < S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.7 56.5 -60.1 -29.5 72.4 94.2 8.3 200 224 A T H < S+ 0 0 36 -4,-2.1 -146,-0.5 1,-0.2 -1,-0.3 0.885 114.4 39.4 -70.3 -34.8 70.1 95.0 11.1 201 225 A V H < S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.863 129.6 31.3 -79.4 -38.0 72.5 97.8 12.1 202 226 A F >< + 0 0 75 -4,-3.4 3,-1.7 -5,-0.1 -1,-0.2 -0.652 64.6 168.9-125.8 77.5 73.2 98.8 8.5 203 227 A P T > + 0 0 73 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.573 68.4 79.0 -61.3 -14.4 70.1 98.1 6.4 204 228 A F T 3> S+ 0 0 132 1,-0.2 4,-0.6 2,-0.2 -5,-0.1 0.581 80.7 71.2 -73.2 -9.0 71.6 100.0 3.4 205 229 A L H <> S+ 0 0 39 -3,-1.7 4,-3.2 1,-0.2 5,-0.3 0.788 80.1 73.3 -74.1 -33.5 73.6 96.9 2.7 206 230 A I H <> S+ 0 0 33 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.927 99.1 43.5 -50.7 -49.6 70.6 94.9 1.5 207 231 A P H > S+ 0 0 82 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.825 114.8 52.9 -66.9 -29.9 70.3 96.8 -1.8 208 232 A I H >X S+ 0 0 91 -4,-0.6 4,-0.7 -3,-0.2 3,-0.6 0.939 110.7 44.2 -69.4 -48.8 74.1 96.5 -2.2 209 233 A L H ><>S+ 0 0 30 -4,-3.2 5,-2.1 1,-0.2 3,-1.0 0.871 107.2 60.1 -64.9 -38.2 74.2 92.8 -1.7 210 234 A E H ><5S+ 0 0 87 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.749 98.2 57.2 -65.5 -22.3 71.3 92.1 -3.9 211 235 A V H <<5S+ 0 0 118 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.770 104.1 53.7 -78.8 -21.5 73.0 93.7 -6.9 212 236 A L T <<5S- 0 0 106 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.126 117.2-117.9 -93.7 19.2 75.8 91.1 -6.3 213 237 A N T < 5 + 0 0 87 -3,-1.0 2,-0.7 1,-0.2 -3,-0.2 0.738 62.7 152.7 48.6 29.3 73.2 88.4 -6.5 214 238 A I < - 0 0 66 -5,-2.1 2,-0.3 4,-0.1 -1,-0.2 -0.795 23.0-173.0 -86.8 118.6 74.0 87.4 -2.9 215 239 A C - 0 0 24 -2,-0.7 -128,-0.2 -3,-0.1 4,-0.2 -0.831 34.3-132.1-114.0 155.0 70.8 85.9 -1.4 216 240 A V S S+ 0 0 16 -130,-3.2 -129,-0.1 -2,-0.3 -1,-0.1 0.624 103.5 65.1 -78.6 -12.6 70.1 84.8 2.1 217 241 A F S S- 0 0 1 -131,-0.3 -1,-0.2 -130,-0.2 5,-0.1 -0.919 109.9-110.4-107.6 100.9 68.7 81.6 0.7 218 242 A P >> - 0 0 61 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.012 15.9-138.8 -38.5 117.6 71.9 80.1 -0.8 219 243 A R H 3> S+ 0 0 117 1,-0.2 4,-2.3 -4,-0.2 5,-0.3 0.769 98.7 66.7 -48.4 -34.9 71.8 80.1 -4.6 220 244 A E H 3> S+ 0 0 148 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.963 110.2 31.9 -54.1 -57.6 73.4 76.6 -4.6 221 245 A V H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.870 117.3 54.0 -70.5 -42.0 70.3 74.9 -3.0 222 246 A T H X S+ 0 0 7 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.889 110.1 49.2 -62.2 -38.8 67.6 77.1 -4.5 223 247 A N H X S+ 0 0 84 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.955 109.7 50.2 -65.6 -50.4 68.9 76.4 -8.0 224 248 A F H >X S+ 0 0 69 -4,-1.8 4,-2.1 -5,-0.3 3,-0.8 0.970 115.6 42.5 -50.6 -60.1 69.1 72.7 -7.5 225 249 A L H 3X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.770 109.0 57.7 -58.3 -31.6 65.5 72.6 -6.2 226 250 A R H 3X S+ 0 0 71 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.851 111.2 43.5 -70.9 -30.7 64.1 75.0 -8.8 227 251 A K H X S+ 0 0 197 -4,-2.1 4,-1.7 1,-0.2 3,-1.2 0.972 115.1 34.0 -54.6 -61.7 61.8 68.1 -13.8 232 256 A M H 3X S+ 0 0 37 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.599 105.3 72.0 -73.0 -10.5 58.8 66.5 -12.1 233 257 A K H 3< S+ 0 0 29 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.802 109.1 37.3 -70.5 -26.0 56.5 69.3 -13.2 234 258 A E H << S+ 0 0 170 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.841 112.5 55.2 -89.9 -41.6 57.0 67.6 -16.6 235 259 A S H < 0 0 96 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.820 360.0 360.0 -61.6 -33.3 57.1 64.0 -15.4 236 260 A R < 0 0 118 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.925 360.0 360.0 -59.2 360.0 53.7 64.6 -13.7 237 ! 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 0.0 238 271 A F > 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -37.0 51.9 69.9 -2.0 239 272 A L H > + 0 0 0 -75,-1.1 4,-2.5 -76,-0.3 -74,-0.1 0.923 360.0 51.8 -68.9 -42.8 53.5 70.1 -5.4 240 273 A Q H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 -75,-0.1 0.790 112.6 45.9 -65.4 -27.3 50.6 68.1 -6.9 241 274 A L H 4 S+ 0 0 70 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.865 113.9 44.5 -84.9 -36.7 48.1 70.4 -5.3 242 275 A M H < 0 0 40 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.929 360.0 360.0 -69.6 -40.7 49.7 73.8 -6.3 243 276 A I < 0 0 96 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.859 360.0 360.0 -57.0 360.0 50.2 72.3 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