==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-10 3OJW . COMPND 2 MOLECULE: NADPH-CYTOCHROME P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.XIA,D.HAMDANE,A.SHEN,V.CHOI,C.KASPER,H.ZHANG,S.-C.IM,L.WAS . 609 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 8.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 50 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 0 0 0 6 1 2 3 1 2 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 4 1 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 1 3 1 1 1 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 1 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 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 66 A E 0 0 85 0, 0.0 9,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -8.8 12.6 -0.8 47.2 2 67 A S + 0 0 110 4,-0.1 2,-0.4 5,-0.0 51,-0.3 0.348 360.0 94.7 -85.4 1.7 12.3 -2.0 43.6 3 68 A S S > S- 0 0 16 1,-0.1 4,-2.6 49,-0.1 5,-0.2 -0.808 80.5-138.9 -92.7 133.8 8.9 -0.3 44.0 4 69 A F H > S+ 0 0 0 -2,-0.4 4,-2.2 49,-0.2 -1,-0.1 0.864 104.6 57.2 -63.0 -30.3 9.0 3.3 42.7 5 70 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 109.8 40.7 -63.7 -52.4 6.8 4.2 45.7 6 71 A E H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 112.3 58.0 -63.0 -34.6 9.4 2.8 48.2 7 72 A K H X S+ 0 0 79 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.901 106.9 48.7 -60.6 -39.6 12.1 4.4 46.1 8 73 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-0.5 0.938 108.0 52.4 -65.3 -49.5 10.3 7.8 46.6 9 74 A K H ><5S+ 0 0 85 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.901 102.7 60.5 -53.4 -45.6 10.0 7.4 50.3 10 75 A K H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.877 117.1 30.1 -50.2 -44.7 13.8 6.7 50.6 11 76 A T T <<5S- 0 0 62 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.218 113.2-111.1-103.3 13.7 14.6 10.1 49.1 12 77 A G T < 5 + 0 0 54 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.890 59.3 161.6 60.3 41.9 11.5 12.0 50.4 13 78 A R < + 0 0 11 -5,-2.6 -1,-0.2 -8,-0.1 31,-0.2 -0.771 22.1 173.0 -94.3 138.1 10.0 12.4 46.9 14 79 A N + 0 0 20 29,-2.4 53,-2.5 -2,-0.4 2,-0.4 0.464 68.7 56.8-117.6 -10.8 6.3 13.3 46.8 15 80 A I E -ab 44 67A 1 28,-1.9 30,-1.5 51,-0.2 2,-0.4 -0.982 60.7-177.7-127.1 125.9 6.1 13.8 43.0 16 81 A I E -ab 45 68A 0 51,-2.3 53,-2.7 -2,-0.4 2,-0.6 -0.979 9.2-159.5-124.8 132.7 7.1 11.3 40.4 17 82 A V E -ab 46 69A 1 28,-2.8 30,-3.1 -2,-0.4 2,-0.3 -0.935 6.6-159.3-117.7 113.5 7.1 11.9 36.6 18 83 A F E -ab 47 70A 0 51,-2.7 53,-2.9 -2,-0.6 2,-0.5 -0.686 7.2-151.4 -90.3 140.6 7.0 9.0 34.2 19 84 A Y E - b 0 71A 19 28,-2.0 2,-0.9 -2,-0.3 53,-0.2 -0.952 15.1-166.1-119.4 129.0 8.1 9.4 30.6 20 85 A G E + b 0 72A 0 51,-3.1 53,-2.3 -2,-0.5 2,-0.4 -0.921 40.9 151.5-105.0 99.5 6.9 7.4 27.6 21 86 A S + 0 0 15 -2,-0.9 62,-0.4 51,-0.2 -2,-0.1 -0.992 34.2 172.0-139.0 143.1 9.6 8.5 25.2 22 87 A Q S S+ 0 0 33 -2,-0.4 366,-0.2 60,-0.1 -1,-0.1 0.645 92.7 26.6-118.2 -31.7 11.3 7.0 22.2 23 88 A T S S- 0 0 82 364,-0.1 364,-0.1 366,-0.0 -2,-0.0 0.143 113.1-103.5-117.5 19.3 13.4 9.9 21.0 24 89 A G S > S+ 0 0 13 362,-0.1 4,-2.0 1,-0.0 5,-0.2 0.369 90.0 113.0 82.0 -5.7 13.9 11.7 24.3 25 90 A T H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.979 86.1 39.8 -63.9 -51.5 11.4 14.6 23.9 26 91 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 112.0 58.0 -62.6 -41.0 9.1 13.3 26.6 27 92 A E H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 106.2 48.3 -56.2 -46.8 12.0 12.3 28.8 28 93 A E H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.892 109.7 52.3 -62.8 -41.0 13.4 15.8 28.8 29 94 A F H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.943 109.5 49.6 -60.2 -45.0 10.0 17.3 29.7 30 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.881 109.6 52.1 -60.7 -38.1 9.7 14.8 32.6 31 96 A N H X S+ 0 0 35 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 111.5 46.5 -64.2 -42.7 13.2 15.9 33.7 32 97 A R H X S+ 0 0 38 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.915 113.6 47.2 -66.4 -44.1 12.2 19.5 33.6 33 98 A L H X S+ 0 0 2 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.881 110.9 52.0 -64.2 -40.6 8.9 18.9 35.5 34 99 A S H >< S+ 0 0 15 -4,-2.4 10,-0.6 -5,-0.2 3,-0.5 0.930 111.2 47.6 -60.8 -45.4 10.6 16.8 38.1 35 100 A K H >< S+ 0 0 103 -4,-2.1 3,-1.1 1,-0.2 4,-0.4 0.837 103.2 64.1 -64.5 -33.7 13.1 19.7 38.7 36 101 A D H >X S+ 0 0 3 -4,-1.9 3,-2.0 1,-0.2 4,-0.5 0.844 83.3 75.7 -58.9 -37.4 10.2 22.2 38.9 37 102 A A G X<>S+ 0 0 0 -4,-1.2 5,-2.4 -3,-0.5 3,-1.4 0.822 89.3 60.0 -43.0 -40.0 8.9 20.5 42.0 38 103 A H G X45S+ 0 0 77 -3,-1.1 3,-2.0 -4,-0.4 -1,-0.3 0.802 90.7 65.6 -62.7 -33.5 11.7 22.2 43.9 39 104 A R G <45S+ 0 0 101 -3,-2.0 132,-2.3 -4,-0.4 133,-0.5 0.664 107.2 45.2 -65.3 -12.7 10.6 25.7 43.0 40 105 A Y G <<5S- 0 0 30 -3,-1.4 -1,-0.3 -4,-0.5 129,-0.2 0.104 123.9-101.3-115.7 19.2 7.5 25.0 45.1 41 106 A G T < 5S+ 0 0 59 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.704 89.3 110.1 70.4 18.2 9.3 23.5 48.0 42 107 A M < - 0 0 15 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.598 61.5-125.7-114.9-179.4 8.5 19.9 47.0 43 108 A R + 0 0 54 -2,-0.2 -29,-2.4 -3,-0.1 -28,-1.9 -0.974 27.5 170.8-137.2 125.6 10.6 17.1 45.6 44 109 A G E -a 15 0A 4 -10,-0.6 247,-0.4 -2,-0.4 2,-0.3 -0.731 16.2-159.3-125.7 173.6 10.2 15.0 42.5 45 110 A M E -a 16 0A 4 -30,-1.5 -28,-2.8 -2,-0.2 2,-0.3 -0.977 18.9-131.5-148.2 148.0 12.0 12.5 40.4 46 111 A S E -a 17 0A 30 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.734 31.8-168.4 -98.3 154.1 11.6 11.5 36.7 47 112 A A E -a 18 0A 5 -30,-3.1 -28,-2.0 -2,-0.3 3,-0.0 -0.997 30.1-127.9-153.3 148.3 11.3 7.9 35.9 48 113 A D > - 0 0 10 -2,-0.3 3,-2.1 -30,-0.2 4,-0.2 -0.807 21.4-151.8 -90.3 109.2 11.2 5.3 33.1 49 114 A P G > S+ 0 0 4 0, 0.0 3,-2.0 0, 0.0 5,-0.2 0.781 91.4 70.3 -52.6 -28.2 8.1 3.2 33.6 50 115 A E G 3 S+ 0 0 60 1,-0.3 34,-0.1 33,-0.2 -30,-0.0 0.810 94.2 56.0 -61.2 -28.5 9.8 0.2 32.0 51 116 A E G < S+ 0 0 104 -3,-2.1 -1,-0.3 32,-0.0 2,-0.2 0.447 112.3 45.7 -82.9 -0.2 12.0 -0.1 35.1 52 117 A Y S < S- 0 0 52 -3,-2.0 2,-0.6 -4,-0.2 -49,-0.1 -0.756 80.9-109.9-135.0-179.1 9.0 -0.3 37.4 53 118 A D > - 0 0 91 -51,-0.3 3,-2.3 -2,-0.2 -49,-0.2 -0.945 21.6-161.1-114.8 105.5 5.6 -2.0 38.0 54 119 A L G > S+ 0 0 7 -2,-0.6 3,-2.1 1,-0.3 4,-0.2 0.633 83.8 79.8 -65.0 -11.2 2.9 0.6 37.6 55 120 A A G > S+ 0 0 31 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.719 77.6 76.4 -66.4 -15.5 0.5 -1.5 39.5 56 121 A D G X + 0 0 43 -3,-2.3 3,-2.2 1,-0.3 4,-0.4 0.534 65.4 89.9 -71.2 -4.7 2.4 -0.0 42.5 57 122 A L G X S+ 0 0 1 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.832 73.5 72.9 -57.7 -28.4 0.4 3.2 41.9 58 123 A S G < S+ 0 0 60 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.729 97.9 45.1 -57.6 -25.4 -1.9 1.5 44.3 59 124 A S G X S+ 0 0 38 -3,-2.2 3,-1.9 1,-0.2 -1,-0.3 0.438 84.2 94.3 -99.4 -3.1 0.6 2.3 47.1 60 125 A L G X S+ 0 0 0 -3,-1.6 3,-2.4 -4,-0.4 -1,-0.2 0.853 73.2 68.4 -58.9 -34.3 1.2 5.9 46.1 61 126 A P G 3 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.646 83.0 74.9 -60.9 -12.4 -1.5 7.1 48.6 62 127 A E G < S+ 0 0 108 -3,-1.9 2,-0.7 2,-0.1 -2,-0.2 0.717 85.4 74.0 -70.4 -21.5 0.9 5.9 51.4 63 128 A I S X S- 0 0 21 -3,-2.4 3,-1.1 -4,-0.3 -1,-0.1 -0.851 92.0-124.9 -97.3 117.2 2.9 9.1 50.5 64 129 A D T 3 S+ 0 0 138 -2,-0.7 -2,-0.1 1,-0.3 -1,-0.0 -0.327 89.6 4.8 -62.6 139.4 1.2 12.2 51.8 65 130 A K T 3 S+ 0 0 134 1,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.864 93.9 164.3 53.8 41.9 0.6 14.9 49.2 66 131 A S < - 0 0 5 -3,-1.1 36,-0.4 -6,-0.1 2,-0.3 -0.657 17.5-173.2 -92.2 147.1 1.9 12.6 46.4 67 132 A L E -b 15 0A 0 -53,-2.5 -51,-2.3 -2,-0.3 2,-0.5 -1.000 13.0-154.8-140.9 136.7 1.4 13.2 42.7 68 133 A V E -bc 16 103A 0 34,-2.6 36,-1.2 -2,-0.3 2,-0.4 -0.963 15.3-170.5-114.7 126.5 2.1 11.1 39.7 69 134 A V E -bc 17 104A 2 -53,-2.7 -51,-2.7 -2,-0.5 2,-0.5 -0.929 7.1-153.6-117.8 142.8 2.6 12.8 36.3 70 135 A F E -bc 18 105A 0 34,-2.3 36,-3.3 -2,-0.4 2,-0.7 -0.962 11.5-173.1-122.5 122.5 2.9 11.3 32.9 71 136 A A E +bc 19 106A 0 -53,-2.9 -51,-3.1 -2,-0.5 2,-0.5 -0.943 27.2 178.1-108.6 106.1 4.6 12.7 29.8 72 137 A M E -bc 20 107A 1 34,-1.8 36,-2.8 -2,-0.7 48,-0.3 -0.948 21.2-155.0-124.9 124.8 3.7 10.3 27.1 73 138 A A E - c 0 108A 10 -53,-2.3 8,-0.5 -2,-0.5 2,-0.4 -0.639 16.1-137.7 -91.3 147.2 4.5 10.3 23.4 74 139 A T E -E 80 0B 25 34,-1.7 2,-0.2 -2,-0.3 5,-0.1 -0.863 24.3-175.8-105.1 136.7 2.3 8.5 20.9 75 140 A Y E >> -E 79 0B 75 4,-3.8 3,-2.1 -2,-0.4 4,-0.6 -0.467 44.2 -8.5-118.5-167.3 3.7 6.5 18.0 76 141 A G G >4 S- 0 0 46 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.174 130.0 -11.5 -25.8 113.1 2.6 4.5 15.0 77 142 A E G 34 S- 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.746 130.0 -53.7 62.9 27.0 -1.1 4.2 14.9 78 143 A G G <4 S+ 0 0 9 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.427 98.0 147.4 89.5 -1.7 -1.7 5.5 18.4 79 144 A D E << -E 75 0B 69 -3,-1.5 -4,-3.8 -4,-0.6 -1,-0.3 -0.256 48.6-109.0 -68.1 154.2 0.7 2.9 19.9 80 145 A P E -E 74 0B 10 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.261 39.9 -88.7 -76.9 168.9 2.8 3.7 23.0 81 146 A T > - 0 0 0 -8,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.358 45.5-103.5 -70.6 159.2 6.6 4.2 23.0 82 147 A a G > S+ 0 0 17 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.895 121.3 53.6 -53.4 -43.9 8.6 1.0 23.5 83 148 A N G 3 S+ 0 0 12 -62,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.614 109.0 49.0 -69.8 -11.5 9.4 1.9 27.1 84 149 A A G <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.1 -1,-0.3 0.366 80.7 99.9-107.8 3.6 5.7 2.3 28.0 85 150 A Q H <> S+ 0 0 46 -3,-1.3 4,-2.9 -4,-0.5 5,-0.2 0.881 83.3 46.9 -55.1 -46.4 4.5 -0.9 26.4 86 151 A D H > S+ 0 0 104 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.894 112.7 49.8 -66.2 -39.1 4.2 -2.8 29.7 87 152 A F H > S+ 0 0 8 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 48.2 -64.3 -42.0 2.4 0.1 31.4 88 153 A Y H X S+ 0 0 51 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.953 112.0 47.7 -63.4 -51.2 0.0 0.2 28.5 89 154 A D H X S+ 0 0 89 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.939 112.8 50.1 -56.2 -47.5 -0.6 -3.6 28.5 90 155 A W H >X S+ 0 0 52 -4,-2.7 4,-2.9 1,-0.2 3,-0.5 0.912 105.6 55.9 -58.1 -45.3 -1.2 -3.5 32.2 91 156 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.5 49.8 -56.1 -37.0 -3.6 -0.6 32.0 92 157 A Q H 3< S+ 0 0 100 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.791 117.4 39.3 -73.5 -27.3 -5.8 -2.6 29.6 93 158 A E H << S+ 0 0 164 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.860 99.6 88.0 -88.6 -40.7 -5.9 -5.7 31.8 94 159 A T < + 0 0 19 -4,-2.9 -39,-0.0 -5,-0.2 -4,-0.0 -0.054 38.9 178.2 -64.9 158.4 -6.2 -4.1 35.2 95 160 A D + 0 0 147 35,-0.0 -1,-0.1 2,-0.0 -4,-0.1 -0.042 33.7 152.5-146.2 25.3 -9.3 -3.1 37.2 96 161 A V - 0 0 38 1,-0.1 2,-0.8 2,-0.0 -2,-0.0 -0.294 50.0-116.3 -65.0 144.8 -7.4 -2.0 40.3 97 162 A D - 0 0 108 1,-0.1 34,-0.2 34,-0.1 -1,-0.1 -0.762 29.4-176.7 -86.6 110.6 -9.0 0.7 42.5 98 163 A L > + 0 0 1 32,-3.1 3,-2.3 -2,-0.8 35,-0.3 0.046 21.8 154.3 -98.4 27.7 -6.8 3.8 42.4 99 164 A T T 3 + 0 0 95 31,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.275 67.6 27.9 -54.6 134.8 -8.8 5.9 44.9 100 165 A G T 3 S+ 0 0 29 31,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.303 90.3 123.9 94.9 -10.6 -6.5 8.4 46.5 101 166 A V < - 0 0 1 -3,-2.3 32,-4.2 30,-0.2 2,-0.4 -0.736 47.1-155.9 -87.3 129.0 -4.1 8.6 43.6 102 167 A K E + d 0 133A 42 -2,-0.4 -34,-2.6 -36,-0.4 2,-0.3 -0.887 21.6 170.2-104.9 133.9 -3.6 12.1 42.1 103 168 A F E -cd 68 134A 0 30,-2.5 32,-2.9 -2,-0.4 33,-0.8 -0.927 24.0-172.3-142.5 167.9 -2.5 12.5 38.5 104 169 A A E -cd 69 136A 0 -36,-1.2 -34,-2.3 -2,-0.3 2,-0.4 -0.970 15.3-152.8-153.2 147.4 -1.8 14.8 35.6 105 170 A V E -c 70 0A 0 31,-0.5 34,-2.9 -2,-0.3 2,-0.5 -0.982 11.8-171.9-132.6 138.0 -0.9 14.0 32.0 106 171 A F E -cd 71 139A 2 -36,-3.3 -34,-1.8 -2,-0.4 2,-0.3 -0.965 19.6-155.8-125.8 113.2 0.9 15.8 29.2 107 172 A G E -cd 72 140A 0 32,-3.1 34,-2.5 -2,-0.5 2,-0.5 -0.694 5.9-150.4 -94.1 140.1 0.7 14.1 25.9 108 173 A L E +cd 73 141A 9 -36,-2.8 -34,-1.7 -2,-0.3 2,-0.2 -0.944 41.0 129.0-106.4 126.8 3.3 14.5 23.1 109 174 A G E - d 0 142A 12 32,-1.2 34,-3.4 -2,-0.5 2,-0.3 -0.797 49.5-115.4-153.4-164.1 1.8 14.1 19.7 110 175 A N > - 0 0 23 32,-0.3 3,-2.1 -2,-0.2 32,-0.1 -0.885 12.7-143.8-154.6 116.5 1.3 15.5 16.2 111 176 A K T 3 S+ 0 0 119 -2,-0.3 5,-0.2 1,-0.3 -1,-0.1 0.702 95.6 69.1 -53.4 -26.5 -2.0 16.6 14.6 112 177 A T T 3 S+ 0 0 68 3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.671 86.9 84.4 -70.9 -13.4 -1.0 15.4 11.1 113 178 A Y S < S- 0 0 96 -3,-2.1 3,-0.5 1,-0.1 -3,-0.1 -0.637 85.2-125.8 -89.0 148.7 -1.3 11.8 12.3 114 179 A E S S+ 0 0 131 1,-0.3 2,-0.9 -2,-0.3 -1,-0.1 0.870 105.6 48.6 -58.8 -42.5 -4.7 10.0 12.5 115 180 A H S > S- 0 0 79 -40,-0.1 3,-1.7 -5,-0.1 4,-0.3 -0.565 84.3-163.1-103.4 69.1 -4.5 9.1 16.2 116 181 A F T 3 S- 0 0 33 -2,-0.9 5,-0.1 -3,-0.5 -5,-0.1 -0.308 70.9 -21.9 -57.2 120.8 -3.5 12.5 17.6 117 182 A N T 3> S+ 0 0 1 -2,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.758 84.2 158.0 48.0 32.4 -2.0 12.1 21.1 118 183 A A H <> + 0 0 29 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.878 69.8 50.5 -52.8 -42.9 -3.9 8.7 21.5 119 184 A M H > S+ 0 0 3 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.958 110.7 47.6 -63.4 -49.3 -1.5 7.6 24.2 120 185 A G H > S+ 0 0 0 -48,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.948 114.6 47.1 -55.3 -50.0 -1.8 10.7 26.3 121 186 A K H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.872 112.1 50.7 -60.1 -39.7 -5.6 10.6 26.0 122 187 A Y H X S+ 0 0 51 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.955 111.0 46.1 -65.4 -50.5 -5.7 6.9 26.9 123 188 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.885 114.1 50.0 -60.1 -38.7 -3.6 7.1 30.0 124 189 A D H X S+ 0 0 14 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.920 116.1 39.1 -68.3 -44.2 -5.6 10.1 31.2 125 190 A Q H X S+ 0 0 65 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.885 115.0 53.9 -74.8 -35.2 -9.1 8.6 30.7 126 191 A R H X S+ 0 0 34 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.915 105.2 52.3 -65.3 -44.2 -8.0 5.2 31.9 127 192 A L H <>S+ 0 0 1 -4,-2.1 5,-2.2 -5,-0.2 4,-0.3 0.915 110.5 49.0 -59.6 -41.9 -6.6 6.5 35.3 128 193 A E H ><5S+ 0 0 101 -4,-1.3 3,-2.6 1,-0.2 -2,-0.2 0.953 107.7 53.8 -62.6 -48.2 -9.9 8.3 36.0 129 194 A Q H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 105.6 55.3 -52.8 -36.5 -11.9 5.2 35.2 130 195 A L T 3<5S- 0 0 9 -4,-1.8 -32,-3.1 -5,-0.2 -1,-0.3 0.519 127.1-101.5 -77.0 -4.8 -9.7 3.3 37.7 131 196 A G T < 5S+ 0 0 34 -3,-2.6 -31,-0.5 1,-0.3 -3,-0.2 0.442 73.8 140.2 101.9 -0.6 -10.7 5.9 40.3 132 197 A A < - 0 0 7 -5,-2.2 2,-0.6 -33,-0.2 -1,-0.3 -0.352 52.9-114.4 -71.8 160.5 -7.6 8.1 40.4 133 198 A Q E -d 102 0A 93 -32,-4.2 -30,-2.5 -35,-0.3 2,-0.4 -0.871 16.9-137.1-105.5 120.4 -8.1 11.9 40.8 134 199 A R E -d 103 0A 80 -2,-0.6 -30,-0.2 -32,-0.2 3,-0.1 -0.589 20.0-179.4 -74.5 121.6 -7.1 14.3 38.0 135 200 A I E + 0 0 20 -32,-2.9 2,-0.3 -2,-0.4 -31,-0.2 0.635 68.9 18.8 -96.0 -18.9 -5.4 17.4 39.4 136 201 A F E S-d 104 0A 26 -33,-0.8 -31,-0.5 26,-0.0 -1,-0.3 -0.990 89.7 -90.9-153.7 146.3 -4.8 19.1 36.1 137 202 A E E - 0 0 119 -2,-0.3 2,-0.2 1,-0.1 -32,-0.2 -0.073 52.0 -92.8 -54.0 151.9 -6.2 19.0 32.6 138 203 A L E - 0 0 36 -34,-0.1 2,-0.4 -32,-0.1 -32,-0.2 -0.464 39.8-134.6 -67.2 131.8 -4.6 16.7 30.0 139 204 A G E -d 106 0A 4 -34,-2.9 -32,-3.1 -2,-0.2 2,-0.6 -0.764 12.2-158.1 -91.1 137.1 -2.0 18.6 28.0 140 205 A L E -d 107 0A 77 -2,-0.4 2,-0.2 -34,-0.2 -32,-0.1 -0.717 10.1-168.4-117.5 83.0 -2.1 18.1 24.2 141 206 A G E -d 108 0A 0 -34,-2.5 -32,-1.2 -2,-0.6 2,-0.6 -0.449 5.3-156.7 -70.2 138.0 1.3 18.9 22.7 142 207 A D E > -d 109 0A 14 4,-0.2 3,-1.7 -2,-0.2 4,-0.4 -0.911 13.7-170.8-121.9 106.5 1.4 19.2 19.0 143 208 A D T 3 S+ 0 0 100 -34,-3.4 -33,-0.2 -2,-0.6 4,-0.2 0.585 84.0 72.0 -70.4 -8.0 4.8 18.6 17.3 144 209 A D T 3 S+ 0 0 91 -35,-0.1 -1,-0.3 2,-0.1 -34,-0.1 0.641 115.8 19.2 -79.9 -13.8 3.2 19.8 14.0 145 210 A G S < S- 0 0 55 -3,-1.7 2,-0.3 0, 0.0 -2,-0.1 0.502 135.0 -42.0-114.1 -95.3 3.2 23.3 15.4 146 211 A N > - 0 0 63 -4,-0.4 4,-1.7 1,-0.1 -4,-0.2 -0.776 48.1-177.2-147.5 96.0 5.4 24.0 18.3 147 212 A L H > S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.877 82.6 59.8 -59.9 -42.1 5.5 21.3 21.0 148 213 A E H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.946 107.5 43.1 -54.6 -54.2 7.9 23.3 23.2 149 214 A E H > S+ 0 0 84 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.873 111.0 55.4 -65.3 -32.7 5.5 26.2 23.6 150 215 A D H X S+ 0 0 50 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.933 111.5 45.8 -60.8 -42.9 2.6 23.9 24.1 151 216 A F H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.942 113.7 48.0 -63.2 -49.4 4.6 22.3 27.0 152 217 A I H X S+ 0 0 44 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.941 112.1 50.0 -56.9 -47.7 5.6 25.7 28.3 153 218 A T H X S+ 0 0 76 -4,-3.5 4,-0.7 2,-0.2 -1,-0.2 0.902 115.1 42.8 -59.3 -42.6 1.9 26.9 28.2 154 219 A W H >X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.2 3,-1.4 0.963 113.1 53.3 -65.7 -53.4 0.7 23.8 30.0 155 220 A R H 3X S+ 0 0 44 -4,-3.2 4,-2.1 1,-0.3 -2,-0.2 0.850 103.1 56.1 -50.5 -44.2 3.5 23.9 32.5 156 221 A E H 3< S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.725 116.6 36.2 -66.5 -21.8 2.8 27.5 33.5 157 222 A Q H S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.914 113.2 49.2 -63.2 -38.4 0.0 27.0 40.1 161 226 A A H X S+ 0 0 31 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.875 115.5 43.6 -66.7 -36.7 -2.8 24.5 40.0 162 227 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.923 112.2 51.2 -74.2 -44.9 -0.7 21.9 41.8 163 228 A A H X>S+ 0 0 5 -4,-3.4 5,-2.3 1,-0.2 4,-0.6 0.920 112.4 48.3 -57.6 -44.5 0.8 24.2 44.3 164 229 A E H ><5S+ 0 0 164 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.951 109.2 52.6 -60.2 -50.4 -2.7 25.4 45.2 165 230 A F H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.862 117.7 37.3 -54.7 -39.7 -3.9 21.8 45.5 166 231 A F H 3<5S- 0 0 15 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.320 114.0-111.8 -97.8 7.1 -1.1 20.9 47.9 167 232 A G T <<5S+ 0 0 69 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.657 74.9 113.4 76.8 17.5 -1.0 24.1 49.9 168 233 A V < - 0 0 55 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.514 44.0-155.4-113.7-175.2 2.4 25.5 48.8 169 234 A E - 0 0 154 -129,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.974 37.7 -69.5-153.6 163.2 3.8 28.5 46.8 170 235 A A - 0 0 58 -2,-0.3 -130,-0.2 1,-0.1 -131,-0.1 -0.225 30.5-151.7 -56.3 142.8 6.8 29.5 44.8 171 236 A T - 0 0 62 -132,-2.3 -1,-0.1 -133,-0.1 -131,-0.1 0.745 17.7-151.1 -87.0 -27.8 10.0 30.0 46.8 172 237 A G + 0 0 76 -133,-0.5 3,-0.1 1,-0.1 2,-0.1 0.772 41.8 147.8 62.3 27.6 11.3 32.5 44.3 173 238 A E - 0 0 156 1,-0.2 -1,-0.1 -134,-0.1 -2,-0.1 -0.254 54.1 -36.1 -87.8 178.3 14.9 31.6 45.2 174 239 A E - 0 0 100 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.144 47.4-138.2 -31.9 139.9 18.1 31.6 43.1 175 240 A S - 0 0 98 -3,-0.1 2,-0.6 1,-0.1 -1,-0.1 0.712 26.5-142.7 -77.7 -23.3 17.6 30.5 39.5 176 241 A S - 0 0 61 1,-0.1 2,-1.9 110,-0.0 -1,-0.1 -0.269 7.9-149.4 90.9 -45.1 20.9 28.4 39.6 177 242 A I S S+ 0 0 88 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.541 76.8 41.3 79.3 -77.7 22.1 29.1 36.0 178 243 A R - 0 0 48 -2,-1.9 108,-0.1 1,-0.1 3,-0.1 -0.751 65.9-153.4-101.9 151.4 23.8 25.8 35.5 179 244 A Q S S+ 0 0 46 -2,-0.3 107,-2.1 1,-0.1 108,-0.4 0.685 77.3 38.2 -95.1 -20.9 22.5 22.4 36.7 180 245 A Y E -F 285 0C 8 105,-0.3 2,-0.4 106,-0.1 105,-0.2 -0.918 66.1-142.7-131.9 157.7 25.8 20.6 37.1 181 246 A E E -F 284 0C 97 103,-2.3 103,-2.1 -2,-0.3 2,-0.4 -0.905 26.5-113.5-118.4 147.4 29.3 21.4 38.3 182 247 A L E +F 283 0C 58 -2,-0.4 2,-0.4 101,-0.2 101,-0.2 -0.645 29.1 179.8 -84.1 129.9 32.6 20.1 36.9 183 248 A V E -F 282 0C 50 99,-2.2 99,-1.7 -2,-0.4 2,-0.2 -0.943 12.3-159.4-130.3 107.9 34.8 17.8 38.9 184 249 A V E -F 281 0C 56 -2,-0.4 2,-0.5 97,-0.2 97,-0.2 -0.524 8.5-143.2 -85.3 155.2 38.0 16.6 37.2 185 250 A H - 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0 0 17 -2,-0.2 4,-2.2 -46,-0.2 5,-0.2 -0.612 36.9 -82.6-117.6-179.5 24.5 20.8 14.2 362 427 A I H > S+ 0 0 3 -48,-0.4 4,-1.9 1,-0.2 5,-0.1 0.869 127.8 50.0 -53.3 -42.2 26.5 21.9 17.3 363 428 A L H > S+ 0 0 5 -51,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.937 108.9 52.2 -63.4 -45.6 29.8 21.9 15.4 364 429 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.895 108.3 50.7 -57.6 -42.4 28.4 24.0 12.6 365 430 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.917 110.2 51.2 -62.2 -39.8 27.1 26.6 15.0 366 431 A L H < S+ 0 0 5 -4,-1.9 6,-0.2 -5,-0.2 -2,-0.2 0.854 114.3 42.1 -65.8 -35.4 30.6 26.7 16.6 367 432 A Q H < S+ 0 0 75 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.857 113.1 52.9 -78.3 -36.8 32.3 27.2 13.2 368 433 A D H < S+ 0 0 49 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.740 115.5 41.8 -70.6 -23.3 29.7 29.7 12.0 369 434 A Y >< + 0 0 11 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.3 -0.739 66.7 174.3-126.2 81.5 30.2 31.8 15.2 370 435 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 77.4 62.6 -60.4 -23.7 34.0 31.9 16.0 371 436 A S T 3 S+ 0 0 10 -43,-0.1 -42,-2.5 -41,-0.1 2,-0.9 0.543 82.5 100.2 -79.1 -4.3 33.6 34.4 18.9 372 437 A L B < +P 328 0G 9 -3,-1.9 -44,-0.3 -44,-0.3 -3,-0.1 -0.724 42.7 159.1 -86.9 103.1 31.5 31.6 20.6 373 438 A R + 0 0 165 -46,-2.0 -1,-0.1 -2,-0.9 -100,-0.1 -0.683 9.5 172.9-128.3 79.9 33.8 29.9 23.1 374 439 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -50,-0.0 -0.562 42.8-100.2 -85.7 148.7 31.8 28.0 25.8 375 440 A P >> - 0 0 50 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.503 31.5-126.7 -67.2 135.9 33.5 25.8 28.3 376 441 A I H 3> S+ 0 0 12 1,-0.2 4,-2.3 -103,-0.2 -102,-0.0 0.804 106.2 58.6 -53.9 -34.6 33.1 22.2 27.2 377 442 A D H 3> S+ 0 0 20 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 107.4 46.3 -64.3 -40.6 31.7 21.0 30.5 378 443 A H H <> S+ 0 0 4 -3,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.835 110.2 55.0 -69.8 -32.0 28.8 23.5 30.3 379 444 A L H >X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-1.4 0.936 102.0 57.4 -66.9 -43.7 28.2 22.5 26.7 380 445 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 104.4 50.1 -58.9 -30.9 27.9 18.8 27.6 381 446 A E H 3< S+ 0 0 36 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.628 109.6 53.8 -83.7 -9.2 25.0 19.5 30.1 382 447 A L H << S+ 0 0 24 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.740 92.0 88.7 -91.0 -27.4 23.2 21.5 27.4 383 448 A L S < S- 0 0 17 -4,-1.5 2,-0.1 1,-0.1 -71,-0.1 -0.366 80.4-114.6 -73.5 149.4 23.3 18.7 24.7 384 449 A P - 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