==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-09 3A4H . COMPND 2 MOLECULE: VITAMIN D HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDONOCARDIA AUTOTROPHICA; . AUTHOR Y.YASUTAKE,Y.FUJII,W.K.CHEON,A.ARISAWA,T.TAMURA . 400 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 2 0 1 1 1 2 2 1 0 1 1 0 1 0 1 0 0 0 0 0 0 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 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A T 0 0 74 0, 0.0 8,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 155.5 3.3 26.9 -7.1 2 5 A T - 0 0 1 6,-2.0 8,-0.1 1,-0.1 5,-0.0 -0.520 360.0-154.2 -87.1 161.1 4.5 23.7 -8.8 3 6 A T + 0 0 98 -2,-0.2 4,-0.1 4,-0.1 -1,-0.1 0.340 60.0 96.6-119.2 2.0 4.4 23.2 -12.6 4 7 A G S S- 0 0 30 2,-0.4 3,-0.1 4,-0.1 22,-0.0 0.191 100.6 -60.3 -77.7-159.7 4.2 19.4 -12.9 5 8 A T S S+ 0 0 133 1,-0.2 2,-0.4 20,-0.1 -1,-0.0 0.818 130.8 30.2 -54.0 -35.5 1.1 17.2 -13.4 6 9 A E S S- 0 0 123 19,-0.0 2,-0.7 2,-0.0 -2,-0.4 -0.997 85.8-132.5-130.3 128.3 -0.3 18.5 -10.1 7 10 A Q - 0 0 152 -2,-0.4 2,-0.2 -4,-0.1 -4,-0.1 -0.740 23.6-172.8 -93.5 112.8 0.4 22.0 -8.8 8 11 A H - 0 0 36 -2,-0.7 -6,-2.0 14,-0.1 2,-0.3 -0.644 31.9-101.2 -93.5 154.6 1.3 22.2 -5.2 9 12 A D - 0 0 59 -2,-0.2 2,-0.5 -8,-0.2 13,-0.1 -0.583 32.6-154.0 -75.1 138.5 1.8 25.5 -3.3 10 13 A L S S- 0 0 12 -2,-0.3 3,-0.1 1,-0.1 4,-0.0 -0.972 70.4 -21.8-118.9 119.0 5.4 26.6 -2.8 11 14 A F S S+ 0 0 23 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.736 127.3 65.0 55.4 28.0 6.2 28.9 0.2 12 15 A S S > S- 0 0 57 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.959 95.2 -1.1-161.5 169.0 2.6 30.0 0.5 13 16 A G G > S+ 0 0 60 -2,-0.3 3,-0.7 1,-0.3 4,-0.4 -0.170 131.2 5.5 49.4-118.0 -0.8 28.6 1.3 14 17 A T G >> S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.700 113.9 81.8 -72.9 -21.3 -0.7 24.9 2.0 15 18 A F G <4 S+ 0 0 6 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.898 88.6 54.1 -49.2 -48.2 3.1 24.7 1.8 16 19 A W G <4 S+ 0 0 39 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.765 109.1 47.6 -64.2 -27.8 3.5 25.9 5.4 17 20 A Q T <4 S- 0 0 76 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.924 138.6 -4.0 -76.1 -47.9 1.2 23.2 6.8 18 21 A N < + 0 0 78 -4,-2.1 4,-0.3 1,-0.1 -1,-0.2 -0.757 60.5 172.9-152.0 99.7 2.9 20.4 4.9 19 22 A P > + 0 0 5 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.476 62.2 90.0 -84.0 -4.0 5.7 21.1 2.4 20 23 A H H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 81.7 49.6 -71.5 -39.6 6.5 17.5 1.8 21 24 A P H > S+ 0 0 52 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.851 112.0 51.9 -66.8 -31.6 4.2 16.6 -1.1 22 25 A A H > S+ 0 0 3 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.851 109.8 48.9 -66.4 -38.0 5.6 19.8 -2.8 23 26 A Y H X S+ 0 0 3 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.894 110.2 50.4 -66.9 -42.7 9.1 18.5 -2.2 24 27 A A H X S+ 0 0 37 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.867 110.5 51.2 -61.0 -37.9 8.2 15.1 -3.6 25 28 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 5,-0.4 0.828 112.2 45.9 -68.8 -34.2 6.8 16.9 -6.6 26 29 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 3,-0.2 -2,-0.2 0.933 109.7 52.1 -76.6 -46.7 10.0 18.8 -7.1 27 30 A R H < S+ 0 0 26 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.840 119.3 38.7 -52.9 -36.7 12.4 15.9 -6.6 28 31 A A H < S+ 0 0 66 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 134.3 12.3 -82.8 -46.7 10.4 14.0 -9.3 29 32 A E H < S+ 0 0 94 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.614 134.7 22.6-115.3 -19.0 9.5 16.7 -11.9 30 33 A D < + 0 0 44 -4,-1.9 3,-0.2 -5,-0.4 -1,-0.1 -0.386 59.4 166.7-152.2 67.8 11.6 19.8 -11.3 31 34 A P S S+ 0 0 14 0, 0.0 15,-1.7 0, 0.0 2,-0.5 0.710 77.0 41.3 -64.8 -28.3 14.8 19.1 -9.3 32 35 A V E S-A 45 0A 5 13,-0.2 2,-0.6 263,-0.2 13,-0.2 -0.869 82.0-178.9-121.8 97.8 16.5 22.4 -9.9 33 36 A R E -A 44 0A 38 11,-1.9 11,-1.8 -2,-0.5 2,-0.6 -0.867 25.8-144.1-113.5 116.8 13.8 25.1 -9.6 34 37 A K E -A 43 0A 105 -2,-0.6 2,-0.5 9,-0.3 9,-0.3 -0.656 25.9-155.2 -72.7 113.9 14.3 28.8 -10.0 35 38 A L E -A 42 0A 7 7,-3.3 7,-1.8 -2,-0.6 2,-1.7 -0.837 15.1-142.1-100.8 128.4 11.9 30.4 -7.4 36 39 A A E +A 41 0A 102 -2,-0.5 -1,-0.0 5,-0.2 -2,-0.0 -0.437 36.4 176.2 -84.6 63.3 10.5 33.9 -7.9 37 40 A L - 0 0 44 -2,-1.7 -26,-0.0 3,-0.6 -2,-0.0 -0.320 43.5-105.9 -68.2 152.4 10.7 34.8 -4.2 38 41 A P S S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.829 117.4 41.8 -47.0 -44.9 9.8 38.4 -3.0 39 42 A D S S- 0 0 163 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.976 130.4 -42.5 -70.9 -58.6 13.5 39.4 -2.5 40 43 A G S S- 0 0 15 -5,-0.1 -3,-0.6 264,-0.0 -1,-0.3 -0.969 71.7 -68.9-163.1 166.6 15.1 37.9 -5.5 41 44 A P E -A 36 0A 60 0, 0.0 263,-0.5 0, 0.0 2,-0.3 -0.327 49.1-173.1 -62.1 147.5 15.1 34.7 -7.6 42 45 A V E -A 35 0A 3 -7,-1.8 -7,-3.3 261,-0.1 2,-0.3 -0.970 19.2-133.1-150.3 130.2 16.6 31.6 -5.9 43 46 A W E -Ab 34 305A 26 261,-2.7 263,-2.8 -2,-0.3 2,-0.6 -0.649 19.4-151.3 -88.3 137.3 17.3 28.1 -7.3 44 47 A L E -Ab 33 306A 0 -11,-1.8 -11,-1.9 -2,-0.3 2,-0.6 -0.922 6.3-162.0-119.9 112.9 16.2 25.2 -5.2 45 48 A L E +Ab 32 307A 1 261,-2.4 263,-3.0 -2,-0.6 267,-0.2 -0.823 18.3 165.0 -92.5 121.3 17.9 21.8 -5.3 46 49 A T + 0 0 0 -15,-1.7 2,-0.2 -2,-0.6 -19,-0.2 0.612 42.7 95.1-111.8 -18.6 15.7 19.1 -3.9 47 50 A R S > S- 0 0 76 -16,-0.4 4,-2.3 -21,-0.1 5,-0.2 -0.578 74.0-127.5 -81.7 141.1 17.4 15.8 -5.0 48 51 A Y H > S+ 0 0 30 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.921 105.0 45.1 -49.9 -63.0 19.7 14.1 -2.5 49 52 A A H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.790 113.3 52.5 -57.4 -34.0 22.8 13.7 -4.7 50 53 A D H > S+ 0 0 16 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.955 114.7 39.8 -65.1 -52.8 22.5 17.3 -6.0 51 54 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.2 0.935 113.6 55.8 -61.2 -48.2 22.3 18.8 -2.5 52 55 A R H X S+ 0 0 85 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.875 115.8 36.5 -52.7 -44.6 25.0 16.4 -1.1 53 56 A E H < S+ 0 0 110 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.670 107.8 64.8 -88.1 -18.9 27.5 17.4 -3.7 54 57 A A H >< S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.2 -2,-0.2 0.795 94.9 61.2 -72.3 -29.4 26.5 21.1 -3.8 55 58 A F H 3< S+ 0 0 19 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.896 111.3 38.0 -62.3 -43.1 27.7 21.5 -0.2 56 59 A V T 3< S+ 0 0 62 -4,-0.6 -1,-0.3 284,-0.1 -2,-0.2 0.059 89.0 122.8 -96.2 22.7 31.2 20.5 -1.2 57 60 A D X - 0 0 12 -3,-1.1 3,-1.8 1,-0.1 -3,-0.1 -0.787 49.7-159.1 -92.1 112.3 31.1 22.4 -4.5 58 61 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.765 91.1 63.1 -58.8 -30.7 33.9 25.0 -4.7 59 62 A R T 3 S+ 0 0 83 229,-0.1 230,-3.4 230,-0.1 2,-0.6 0.611 93.4 74.3 -71.9 -14.4 32.0 27.0 -7.4 60 63 A L E < S+C 288 0A 13 -3,-1.8 2,-0.3 228,-0.2 228,-0.2 -0.917 70.6 175.4-100.7 117.3 29.3 27.6 -4.8 61 64 A S E -C 287 0A 9 226,-2.9 226,-2.2 -2,-0.6 27,-0.1 -0.817 40.7-133.7-124.1 161.5 30.5 30.2 -2.2 62 65 A K S S+ 0 0 16 -2,-0.3 2,-0.6 224,-0.2 26,-0.1 0.536 75.0 108.2 -89.8 -8.2 29.0 32.0 0.8 63 66 A D > - 0 0 22 1,-0.2 3,-1.2 224,-0.1 -2,-0.2 -0.615 57.5-158.3 -74.2 116.8 30.3 35.4 -0.4 64 67 A W G > S+ 0 0 103 -2,-0.6 3,-1.6 14,-0.5 4,-0.3 0.594 80.0 84.1 -70.8 -12.2 27.4 37.4 -1.6 65 68 A R G > + 0 0 67 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.642 68.8 79.8 -68.5 -16.2 29.7 39.6 -3.7 66 69 A H G < S+ 0 0 39 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.672 85.1 61.9 -63.5 -18.6 29.5 37.0 -6.5 67 70 A T G < S+ 0 0 59 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.793 94.8 72.9 -76.2 -31.2 26.1 38.5 -7.4 68 71 A L S < S- 0 0 40 -3,-0.8 5,-0.1 -4,-0.3 234,-0.0 -0.594 101.9 -90.8 -81.6 146.8 27.8 41.9 -8.2 69 72 A P >> - 0 0 63 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.220 44.8-102.0 -56.9 149.3 30.0 42.3 -11.3 70 73 A E T 34 S+ 0 0 154 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.753 119.7 43.9 -49.4 -40.6 33.7 41.5 -10.9 71 74 A D T >4 S+ 0 0 127 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.835 108.3 58.5 -74.5 -31.9 34.9 45.1 -10.7 72 75 A Q T <4 S+ 0 0 105 -3,-1.0 4,-0.5 1,-0.2 3,-0.5 0.703 100.2 57.4 -71.6 -21.2 32.1 46.3 -8.3 73 76 A R T 3< S+ 0 0 62 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.639 83.1 79.5 -86.2 -16.3 33.0 43.7 -5.6 74 77 A A S < S+ 0 0 97 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.278 101.8 43.6 -71.3 14.5 36.6 44.9 -5.2 75 78 A D S S+ 0 0 129 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.619 96.4 81.3-128.2 -36.1 35.0 47.7 -3.1 76 79 A M S S- 0 0 80 -4,-0.5 2,-0.1 -3,-0.1 -11,-0.1 -0.535 78.9-112.9 -85.0 142.1 32.4 46.0 -0.9 77 80 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.442 23.0-129.7 -64.6 147.3 33.1 44.2 2.4 78 81 A A S S+ 0 0 33 1,-0.2 -14,-0.5 -2,-0.1 -13,-0.1 0.899 84.3 9.3 -67.2 -44.5 32.4 40.4 2.3 79 82 A T - 0 0 22 1,-0.1 -1,-0.2 -16,-0.1 -16,-0.0 -0.972 60.5-134.6-137.6 150.2 30.2 40.2 5.4 80 83 A P S S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.961 99.8 16.8 -65.1 -51.8 28.5 42.7 7.8 81 84 A T S S- 0 0 42 2,-0.1 2,-2.9 144,-0.0 5,-0.1 -0.983 92.5-107.5-125.9 135.2 29.7 40.8 10.9 82 85 A P + 0 0 10 0, 0.0 2,-0.5 0, 0.0 144,-0.1 -0.271 57.7 151.0 -68.5 66.5 32.5 38.2 11.0 83 86 A M > - 0 0 19 -2,-2.9 3,-2.0 1,-0.1 4,-0.2 -0.848 47.1-136.8 -91.6 131.1 30.4 35.0 11.4 84 87 A M G > S+ 0 0 12 -2,-0.5 3,-2.2 1,-0.3 -1,-0.1 0.809 100.0 69.1 -60.6 -30.2 32.2 32.0 9.8 85 88 A I G 3 S+ 0 0 50 1,-0.3 -1,-0.3 7,-0.0 7,-0.0 0.611 100.4 49.7 -64.2 -13.5 28.9 30.8 8.2 86 89 A L G < S+ 0 0 67 -3,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.378 105.0 82.8-100.0 0.1 29.0 33.9 6.0 87 90 A M < - 0 0 28 -3,-2.2 -25,-0.0 -4,-0.2 -24,-0.0 -0.699 58.7-150.2-116.3 157.5 32.6 33.2 4.9 88 91 A D >> - 0 0 38 -2,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.756 47.6 -40.9-110.5 161.9 34.7 31.2 2.5 89 92 A P T 34 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.265 116.9 24.6 -55.4 151.1 38.3 29.9 2.9 90 93 A P T 3> S+ 0 0 103 0, 0.0 4,-1.6 0, 0.0 -3,-0.0 -0.988 129.0 46.6 -85.7 2.5 40.8 30.9 4.0 91 94 A D H <> S+ 0 0 97 -3,-1.0 4,-1.2 2,-0.2 5,-0.1 0.880 116.3 44.0 -69.5 -41.9 38.8 33.3 6.2 92 95 A H H X S+ 0 0 5 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.908 110.1 57.0 -65.7 -44.8 36.3 30.6 7.4 93 96 A T H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 103.8 52.8 -56.9 -42.9 39.0 28.0 7.9 94 97 A R H X S+ 0 0 73 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.885 115.2 39.7 -62.5 -43.0 40.9 30.3 10.3 95 98 A L H X S+ 0 0 1 -4,-1.2 4,-2.8 -3,-0.2 5,-0.3 0.937 115.5 50.4 -72.6 -49.4 37.9 30.9 12.5 96 99 A R H X S+ 0 0 62 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.892 109.9 52.6 -53.4 -44.4 36.6 27.3 12.4 97 100 A K H X S+ 0 0 114 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.921 113.3 42.8 -58.8 -48.1 40.0 26.1 13.3 98 101 A L H >X S+ 0 0 2 -4,-1.5 4,-0.9 2,-0.2 3,-0.8 0.936 114.7 47.0 -66.8 -51.7 40.2 28.3 16.4 99 102 A V H >X S+ 0 0 0 -4,-2.8 4,-3.9 1,-0.2 3,-1.1 0.928 109.2 57.5 -55.4 -45.7 36.6 27.8 17.7 100 103 A G H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.743 96.0 63.7 -58.6 -29.0 37.1 24.0 17.2 101 104 A R H << S+ 0 0 133 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.873 122.5 17.9 -62.0 -38.6 40.1 24.0 19.5 102 105 A S H << S+ 0 0 5 -3,-1.1 2,-1.7 -4,-0.9 -2,-0.2 0.773 115.6 66.9-105.9 -37.3 37.9 25.1 22.5 103 106 A F S < S+ 0 0 10 -4,-3.9 -1,-0.2 -5,-0.2 2,-0.1 -0.609 79.8 168.0 -83.9 76.7 34.4 24.2 21.3 104 107 A T > - 0 0 48 -2,-1.7 4,-1.6 -3,-0.1 3,-0.2 -0.423 54.0-115.4 -92.8 163.9 35.1 20.5 21.4 105 108 A V H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.757 116.4 63.7 -64.8 -24.3 32.8 17.5 21.1 106 109 A R H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 102.6 44.4 -66.8 -45.4 34.0 16.8 24.7 107 110 A R H > S+ 0 0 42 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.886 110.6 57.1 -64.1 -40.8 32.5 20.0 26.1 108 111 A M H >< S+ 0 0 4 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.889 111.9 41.5 -55.4 -42.1 29.3 19.2 24.1 109 112 A N H >< S+ 0 0 73 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.796 104.4 64.9 -76.4 -31.9 29.1 15.8 25.9 110 113 A E H 3< S+ 0 0 104 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.523 91.7 65.5 -72.9 -5.8 30.0 17.1 29.4 111 114 A L T S+ 0 0 67 -3,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.853 83.6 43.7 -47.4 -51.3 24.6 16.1 29.4 113 116 A P H > S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.879 115.3 50.7 -64.2 -35.3 23.9 16.0 33.2 114 117 A R H > S+ 0 0 101 -3,-0.4 4,-1.0 -4,-0.3 -2,-0.2 0.903 107.2 53.0 -66.0 -43.8 23.3 19.8 33.2 115 118 A I H >X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 3,-0.6 0.886 104.8 56.9 -58.1 -42.0 20.8 19.5 30.3 116 119 A T H 3X S+ 0 0 18 -4,-1.8 4,-3.4 1,-0.2 5,-0.3 0.888 103.0 52.5 -57.6 -44.7 18.9 16.9 32.2 117 120 A E H 3X S+ 0 0 115 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.737 108.6 52.1 -66.7 -24.6 18.3 19.2 35.3 118 121 A I H < S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.864 105.0 56.7 -62.2 -39.9 8.9 19.1 33.5 124 127 A A H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 104.4 54.0 -64.3 -26.1 8.5 19.4 37.3 125 128 A G T 3< S+ 0 0 62 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.125 88.5 98.7 -96.4 20.2 6.8 22.8 36.8 126 129 A L S < S- 0 0 16 -3,-1.5 4,-0.1 6,-0.0 6,-0.0 -0.940 76.3-113.8-115.8 129.0 4.2 21.6 34.3 127 130 A P - 0 0 67 0, 0.0 268,-0.4 0, 0.0 269,-0.3 -0.269 10.0-135.3 -66.3 137.1 0.6 20.8 35.3 128 131 A T S S+ 0 0 72 1,-0.2 268,-2.4 267,-0.2 2,-0.7 0.887 99.7 51.6 -52.2 -46.2 -0.8 17.3 35.2 129 132 A D S S+ 0 0 136 266,-0.2 -1,-0.2 265,-0.1 265,-0.1 -0.875 89.4 154.4-100.5 111.4 -4.0 18.6 33.6 130 133 A G - 0 0 17 -2,-0.7 264,-0.2 2,-0.1 2,-0.1 0.367 61.6-175.4 -72.0-150.2 -3.3 20.8 30.5 131 134 A P + 0 0 98 0, 0.0 2,-0.4 0, 0.0 263,-0.2 0.465 50.5 162.8 -82.7 142.6 -3.7 22.2 28.0 132 135 A V E -E 393 0B 22 261,-2.9 261,-3.0 259,-0.1 2,-1.1 -0.969 44.9-117.6-127.3 143.0 -0.2 23.6 27.8 133 136 A D E > -E 392 0B 31 -2,-0.4 4,-2.2 259,-0.2 5,-0.3 -0.684 25.5-165.5 -77.5 102.5 1.8 25.1 24.9 134 137 A L H >>S+ 0 0 2 257,-2.4 5,-2.8 -2,-1.1 4,-1.2 0.754 83.1 55.2 -64.0 -26.6 4.8 22.6 24.7 135 138 A M H 4>S+ 0 0 0 3,-0.2 5,-3.6 4,-0.2 3,-0.4 0.998 114.3 34.1 -66.4 -69.1 6.7 25.0 22.5 136 139 A R H 45S+ 0 0 81 1,-0.2 -2,-0.2 253,-0.2 -1,-0.1 0.779 127.6 40.2 -58.7 -31.7 6.7 28.2 24.7 137 140 A E H <5S- 0 0 96 -4,-2.2 -1,-0.2 3,-0.1 -3,-0.2 0.692 136.2 -0.1 -95.5 -20.2 6.8 26.3 28.0 138 141 A Y T X5S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.4 3,-0.3 0.640 128.0 44.1-134.1 -58.0 9.3 23.5 27.2 139 142 A A T 4 S+ 0 0 47 -6,-0.4 4,-2.1 -3,-0.3 3,-0.3 0.909 97.1 58.7 -87.5 -49.0 13.3 26.8 26.9 142 145 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.903 104.8 49.3 -55.4 -50.3 15.8 23.9 26.8 143 146 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.848 113.7 46.3 -61.4 -33.9 18.0 25.2 23.9 144 147 A V H X S+ 0 0 2 -4,-0.5 4,-1.4 -3,-0.3 -2,-0.2 0.859 113.9 46.8 -77.8 -36.0 18.4 28.7 25.3 145 148 A Q H X S+ 0 0 49 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.894 111.9 51.7 -67.3 -42.1 19.2 27.5 28.9 146 149 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.892 106.7 53.5 -61.4 -41.7 21.7 25.0 27.5 147 150 A I H X S+ 0 0 5 -4,-1.5 4,-2.7 -5,-0.2 5,-0.3 0.871 106.9 52.8 -61.9 -38.3 23.4 27.8 25.4 148 151 A C H X>S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 5,-1.9 0.910 108.4 49.9 -60.3 -45.2 23.8 29.8 28.6 149 152 A E H <5S+ 0 0 66 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.843 112.3 48.6 -62.8 -35.7 25.5 26.9 30.4 150 153 A L H <5S+ 0 0 6 -4,-2.0 53,-3.0 1,-0.2 54,-0.3 0.950 120.8 34.0 -68.0 -51.8 27.8 26.5 27.4 151 154 A L H <5S- 0 0 0 -4,-2.7 53,-0.9 51,-0.2 54,-0.3 0.795 111.3-119.7 -75.0 -29.6 28.8 30.2 27.2 152 155 A G T <5 - 0 0 11 -4,-3.2 -3,-0.2 -5,-0.3 -4,-0.1 0.805 38.7-176.7 90.8 36.8 28.5 30.6 31.0 153 156 A V < - 0 0 1 -5,-1.9 -1,-0.2 -6,-0.1 5,-0.1 -0.525 35.9-105.5 -67.4 122.8 25.8 33.3 31.3 154 157 A P >> - 0 0 27 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.225 25.2-117.8 -55.0 134.8 25.3 34.2 35.0 155 158 A A T 34 S+ 0 0 77 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.714 113.5 56.1 -47.1 -29.6 22.1 32.8 36.5 156 159 A E T >4 S+ 0 0 138 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.891 107.1 47.2 -70.1 -41.7 20.8 36.3 37.2 157 160 A D T <> S+ 0 0 35 -3,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.478 90.4 87.5 -80.9 -3.6 21.1 37.4 33.5 158 161 A R H 3X S+ 0 0 45 -4,-0.7 4,-2.4 -3,-0.4 -1,-0.2 0.802 83.2 52.2 -73.0 -34.7 19.4 34.2 32.2 159 162 A D H <> S+ 0 0 125 -3,-0.6 4,-2.2 -4,-0.4 -1,-0.2 0.938 113.2 46.0 -63.7 -47.5 15.8 35.4 32.4 160 163 A D H > S+ 0 0 87 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.861 113.0 51.4 -59.4 -39.6 16.7 38.6 30.4 161 164 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.913 111.6 44.4 -66.9 -47.9 18.7 36.4 27.9 162 165 A S H X S+ 0 0 18 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.849 108.8 59.7 -64.2 -37.6 15.9 34.0 27.2 163 166 A A H X S+ 0 0 54 -4,-2.2 4,-0.7 1,-0.2 3,-0.3 0.939 109.6 41.0 -55.3 -50.6 13.4 36.9 27.0 164 167 A W H X S+ 0 0 64 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.796 110.3 60.2 -68.8 -30.3 15.4 38.4 24.1 165 168 A S H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 3,-0.5 0.829 96.3 59.9 -66.5 -36.1 15.9 34.9 22.6 166 169 A S H X S+ 0 0 13 -4,-1.8 4,-1.6 -3,-0.3 -1,-0.2 0.810 95.9 62.8 -62.1 -32.8 12.2 34.4 22.2 167 170 A V H < S+ 0 0 29 -4,-0.7 -1,-0.2 -3,-0.3 4,-0.2 0.878 103.0 49.2 -60.4 -39.3 11.9 37.4 19.9 168 171 A L H < S+ 0 0 16 -4,-0.7 -1,-0.2 -3,-0.5 3,-0.2 0.879 117.6 39.5 -68.6 -39.9 14.2 35.8 17.4 169 172 A V H < S+ 0 0 9 -4,-1.3 2,-0.5 1,-0.2 -2,-0.2 0.994 133.2 1.4 -74.8 -72.7 12.2 32.5 17.3 170 173 A D S < S+ 0 0 36 -4,-1.6 2,-0.2 219,-0.1 -1,-0.2 -0.888 100.9 79.3-128.9 101.6 8.5 33.5 17.5 171 174 A D S S- 0 0 79 -2,-0.5 6,-0.1 -3,-0.2 -4,-0.1 -0.840 93.2 -36.2-165.1-159.5 7.6 37.2 17.6 172 175 A S > - 0 0 72 -2,-0.2 5,-0.5 1,-0.1 4,-0.2 -0.716 55.8-166.9 -80.0 98.4 7.2 40.2 15.3 173 176 A P T 5 + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.460 62.0 80.7 -76.2 -0.1 10.1 39.4 12.9 174 177 A A T 5S- 0 0 79 3,-0.1 4,-0.5 2,-0.0 3,-0.0 0.871 118.5 -29.4 -69.8-107.5 10.2 42.9 11.2 175 178 A D T >5S+ 0 0 140 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.794 135.4 65.1 -82.1 -30.6 12.0 45.6 13.1 176 179 A D H >5S+ 0 0 105 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.743 96.2 56.0 -67.3 -26.0 11.2 44.1 16.5 177 180 A K H > S+ 0 0 114 -4,-0.5 4,-1.6 -3,-0.4 -2,-0.2 0.666 99.2 66.2 -79.0 -18.9 16.4 43.2 15.1 179 182 A A H X S+ 0 0 66 -4,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.900 103.8 45.3 -65.1 -42.5 15.9 45.2 18.4 180 183 A A H X S+ 0 0 7 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.711 105.5 63.8 -73.2 -23.3 16.7 42.0 20.4 181 184 A M H X S+ 0 0 55 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.955 105.5 42.6 -63.1 -52.8 19.7 41.3 18.1 182 185 A G H X S+ 0 0 48 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.784 114.1 53.1 -65.0 -30.7 21.5 44.4 19.1 183 186 A K H X S+ 0 0 135 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.895 112.1 43.2 -70.8 -43.2 20.6 43.8 22.8 184 187 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.837 114.8 51.4 -70.6 -35.4 22.0 40.2 22.7 185 188 A H H X S+ 0 0 75 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.962 112.1 45.5 -63.4 -53.5 25.1 41.4 20.8 186 189 A G H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.897 110.8 52.7 -56.8 -47.3 25.8 44.2 23.3 187 190 A Y H X S+ 0 0 27 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.880 108.1 51.2 -57.3 -42.7 25.3 42.1 26.4 188 191 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.842 107.4 52.6 -68.5 -35.7 27.7 39.4 25.1 189 192 A S H X S+ 0 0 20 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.971 111.9 45.3 -58.3 -55.9 30.5 42.0 24.5 190 193 A D H X S+ 0 0 112 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.796 112.7 53.5 -58.3 -31.4 30.1 43.3 28.0 191 194 A L H >X S+ 0 0 1 -4,-1.6 4,-2.4 -5,-0.2 3,-0.6 0.899 105.8 51.5 -70.0 -44.5 30.1 39.7 29.1 192 195 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.912 108.9 51.0 -58.4 -44.5 33.3 38.9 27.3 193 196 A E H 3< S+ 0 0 96 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.657 111.6 49.0 -68.1 -17.0 35.0 41.9 29.0 194 197 A R H XX S+ 0 0 99 -3,-0.6 4,-2.4 -4,-0.5 3,-0.6 0.814 106.3 55.5 -84.1 -37.1 33.7 40.5 32.3 195 198 A K H 3< S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.763 99.3 62.7 -66.2 -26.8 35.1 37.0 31.5 196 199 A R T 3< S+ 0 0 97 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.834 111.0 37.1 -65.0 -37.3 38.6 38.6 31.0 197 200 A T T <4 S+ 0 0 123 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.930 130.6 29.0 -79.0 -54.1 38.7 39.7 34.6 198 201 A E S < S- 0 0 124 -4,-2.4 -1,-0.3 2,-0.0 2,-0.1 -0.871 81.1-168.2-114.4 97.5 36.9 36.6 36.1 199 202 A P + 0 0 101 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.372 9.0 173.5 -80.4 161.1 37.5 33.4 34.1 200 203 A D - 0 0 76 2,-0.3 -5,-0.0 -2,-0.1 -48,-0.0 -0.818 48.9 -81.7-148.2-171.4 35.6 30.1 34.5 201 204 A D S S+ 0 0 134 -2,-0.2 5,-0.1 4,-0.1 -49,-0.0 0.818 90.6 108.0 -65.2 -33.4 35.1 26.6 33.0 202 205 A A S > S- 0 0 5 1,-0.1 4,-1.8 3,-0.1 3,-0.4 0.104 82.0-109.7 -56.3 159.5 32.6 28.0 30.4 203 206 A L H > S+ 0 0 0 -53,-3.0 4,-2.9 1,-0.2 -52,-0.2 0.780 112.4 59.9 -63.1 -35.9 33.2 28.3 26.7 204 207 A L H > S+ 0 0 0 -53,-0.9 4,-1.3 -54,-0.3 -1,-0.2 0.911 109.7 43.9 -60.7 -43.1 33.4 32.1 26.5 205 208 A S H > S+ 0 0 13 -3,-0.4 4,-0.9 -54,-0.3 -2,-0.2 0.903 113.5 52.7 -63.3 -42.6 36.3 32.1 29.0 206 209 A S H >< S+ 0 0 29 -4,-1.8 3,-0.6 1,-0.2 4,-0.5 0.887 105.7 53.0 -60.1 -44.0 37.8 29.2 27.0 207 210 A L H >< S+ 0 0 2 -4,-2.9 3,-0.7 1,-0.2 11,-0.4 0.812 103.3 57.4 -63.7 -35.2 37.6 31.1 23.6 208 211 A L H 3< S+ 0 0 22 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 107.2 49.1 -63.7 -30.8 39.5 34.1 25.1 209 212 A A T << S+ 0 0 81 -4,-0.9 2,-0.6 -3,-0.6 -1,-0.2 0.562 84.0 116.7 -86.9 -9.9 42.4 31.9 26.0 210 213 A V < + 0 0 10 -3,-0.7 8,-0.5 -4,-0.5 2,-0.2 -0.503 27.5 149.8 -79.0 111.1 42.8 30.1 22.6 211 214 A S - 0 0 56 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.326 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