==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-11 3QFR . COMPND 2 MOLECULE: NADPH--CYTOCHROME P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.XIA,C.MAROHNIC,S.P.PANDA,B.S.MASTERS,J.-J.P.KIM . 1207 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 841 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 99 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 1 0 2 9 2 8 3 1 3 2 1 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 8 0 8 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 . 7 3 2 6 2 2 2 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 1 1 2 3 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 70 A S 0 0 148 0, 0.0 2,-0.4 0, 0.0 51,-0.3 0.000 360.0 360.0 360.0 111.5 36.1 -27.6 2.5 2 71 A S > - 0 0 25 1,-0.1 4,-1.9 49,-0.1 5,-0.2 -0.798 360.0-137.3 -91.9 134.9 34.0 -28.7 5.5 3 72 A F H > S+ 0 0 0 -2,-0.4 4,-1.6 49,-0.3 -1,-0.1 0.849 105.6 56.6 -66.1 -27.9 33.1 -25.6 7.6 4 73 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 104.8 49.8 -65.3 -48.2 34.0 -27.7 10.6 5 74 A E H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 109.3 52.2 -57.8 -42.6 37.5 -28.5 9.4 6 75 A K H X S+ 0 0 35 -4,-1.9 4,-1.6 1,-0.2 6,-0.3 0.858 107.2 52.4 -62.7 -36.2 38.1 -24.8 8.7 7 76 A M H <>S+ 0 0 0 -4,-1.6 5,-2.0 -3,-0.2 4,-0.4 0.946 109.1 50.6 -63.3 -47.9 37.0 -23.9 12.2 8 77 A K H ><5S+ 0 0 89 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.922 112.8 45.2 -54.3 -49.2 39.5 -26.5 13.6 9 78 A K H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.718 117.5 42.2 -71.4 -24.2 42.4 -25.1 11.6 10 79 A T T 3<5S- 0 0 23 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.281 113.3-117.2-104.1 9.1 41.7 -21.4 12.3 11 80 A G T < 5 + 0 0 49 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.2 0.658 63.4 145.0 66.8 20.2 41.0 -22.2 16.0 12 81 A R < + 0 0 43 -5,-2.0 31,-0.2 -6,-0.3 -1,-0.2 -0.570 28.3 175.7 -91.1 154.5 37.3 -21.1 15.9 13 82 A N + 0 0 20 29,-3.4 53,-2.2 -2,-0.2 2,-0.5 0.366 66.4 67.8-131.6 -5.7 34.5 -22.7 17.9 14 83 A I E -ab 43 66A 1 28,-1.7 30,-2.7 51,-0.2 2,-0.5 -0.978 58.3-177.2-121.5 121.6 31.6 -20.3 17.1 15 84 A I E -ab 44 67A 0 51,-2.3 53,-2.7 -2,-0.5 2,-0.6 -0.974 6.2-167.1-124.5 123.6 30.2 -20.2 13.6 16 85 A V E -ab 45 68A 1 28,-2.5 30,-2.3 -2,-0.5 2,-0.3 -0.921 8.0-159.7-110.2 110.6 27.5 -17.8 12.6 17 86 A F E -ab 46 69A 0 51,-2.0 53,-3.3 -2,-0.6 2,-0.4 -0.637 7.4-148.4 -88.0 146.9 25.8 -18.4 9.2 18 87 A Y E - b 0 70A 29 28,-1.7 2,-0.8 -2,-0.3 53,-0.2 -0.962 13.0-161.7-120.9 135.1 23.9 -15.7 7.5 19 88 A G E + b 0 71A 0 51,-3.2 53,-1.4 -2,-0.4 2,-0.4 -0.941 40.3 158.0-107.2 102.6 20.8 -16.0 5.2 20 89 A S + 0 0 20 -2,-0.8 62,-0.4 51,-0.1 -2,-0.1 -0.985 35.4 164.5-140.7 146.0 21.0 -12.6 3.5 21 90 A Q S S+ 0 0 44 -2,-0.4 -1,-0.1 59,-0.1 53,-0.0 0.683 93.3 28.1-118.4 -50.4 19.8 -10.9 0.4 22 91 A T S S- 0 0 48 364,-0.1 364,-0.1 0, 0.0 362,-0.0 0.046 113.2-106.3-104.1 25.1 20.3 -7.2 1.1 23 92 A G S > S+ 0 0 10 1,-0.1 4,-1.4 360,-0.1 361,-0.1 0.512 88.4 112.0 68.6 13.2 23.2 -7.7 3.5 24 93 A T H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 79.6 50.6 -80.2 -45.7 21.6 -7.0 6.9 25 94 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.815 107.7 58.6 -60.7 -28.9 21.9 -10.5 8.2 26 95 A E H > S+ 0 0 44 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.979 106.3 43.1 -66.5 -55.7 25.5 -10.4 7.1 27 96 A E H X S+ 0 0 32 -4,-1.4 4,-3.4 2,-0.2 5,-0.2 0.913 115.3 51.8 -55.1 -43.8 26.5 -7.4 9.3 28 97 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.952 112.9 43.5 -57.7 -52.0 24.5 -9.0 12.1 29 98 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 114.8 51.1 -61.2 -39.2 26.3 -12.3 11.7 30 99 A N H X S+ 0 0 20 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.912 108.8 50.8 -64.7 -43.0 29.6 -10.5 11.4 31 100 A R H X S+ 0 0 19 -4,-3.4 4,-0.9 -5,-0.2 -1,-0.2 0.826 109.3 50.9 -65.6 -31.0 29.0 -8.4 14.5 32 101 A L H >X S+ 0 0 2 -4,-1.9 4,-1.1 -5,-0.2 3,-1.1 0.967 107.4 53.6 -69.4 -50.5 28.2 -11.6 16.5 33 102 A S H 3< S+ 0 0 18 -4,-2.2 10,-0.6 1,-0.3 3,-0.5 0.848 108.8 48.2 -50.1 -42.6 31.4 -13.3 15.3 34 103 A K H 3< S+ 0 0 94 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.732 103.7 63.4 -72.1 -23.3 33.5 -10.3 16.5 35 104 A D H XX S+ 0 0 10 -3,-1.1 3,-1.7 -4,-0.9 4,-0.5 0.790 83.3 77.9 -69.8 -31.5 31.7 -10.4 19.9 36 105 A A G ><>S+ 0 0 0 -4,-1.1 3,-2.4 -3,-0.5 5,-1.8 0.871 83.5 64.1 -44.6 -48.2 33.1 -13.9 20.6 37 106 A H G >45S+ 0 0 87 -3,-0.4 3,-1.2 -4,-0.4 -1,-0.3 0.769 94.1 59.2 -50.3 -34.4 36.5 -12.5 21.6 38 107 A R G <45S+ 0 0 69 -3,-1.7 132,-3.5 -4,-0.3 133,-0.4 0.687 108.1 47.6 -71.8 -14.8 35.0 -10.6 24.6 39 108 A Y G <<5S- 0 0 30 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 -0.008 123.2 -99.2-114.3 27.7 33.8 -13.9 26.0 40 109 A G T < 5S+ 0 0 59 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.756 87.3 115.4 63.7 25.3 37.0 -15.9 25.5 41 110 A M < - 0 0 8 -5,-1.8 2,-0.5 -6,-0.1 -1,-0.2 -0.772 60.2-134.1-122.6 169.4 35.9 -17.5 22.3 42 111 A R + 0 0 118 -2,-0.3 -29,-3.4 -3,-0.1 -28,-1.7 -0.944 32.6 171.9-125.4 108.2 36.9 -17.6 18.7 43 112 A G E -a 14 0A 6 -10,-0.6 2,-0.3 -2,-0.5 -28,-0.2 -0.768 16.1-163.6-118.6 163.8 34.1 -17.2 16.1 44 113 A M E -a 15 0A 17 -30,-2.7 -28,-2.5 -2,-0.3 2,-0.3 -0.970 16.1-133.5-139.3 153.2 33.7 -16.7 12.4 45 114 A S E -a 16 0A 36 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.818 31.1-179.6-105.6 148.8 30.9 -15.6 10.2 46 115 A A E -a 17 0A 6 -30,-2.3 -28,-1.7 -2,-0.3 3,-0.0 -0.998 34.0-118.9-152.0 156.1 30.1 -17.6 7.0 47 116 A D > - 0 0 20 -2,-0.3 3,-1.3 -30,-0.2 4,-0.1 -0.830 24.0-147.3 -92.8 117.1 27.8 -17.9 3.9 48 117 A P G > S+ 0 0 3 0, 0.0 3,-1.7 0, 0.0 5,-0.2 0.783 93.3 65.9 -55.2 -29.1 26.0 -21.2 4.1 49 118 A E G 3 S+ 0 0 96 33,-0.3 34,-0.1 1,-0.3 4,-0.0 0.814 93.1 60.4 -63.8 -32.5 26.0 -21.5 0.3 50 119 A E G < S+ 0 0 105 -3,-1.3 -1,-0.3 32,-0.1 2,-0.2 0.383 112.8 38.8 -77.3 2.5 29.8 -21.8 0.3 51 120 A Y S < S- 0 0 35 -3,-1.7 2,-0.6 -4,-0.1 -49,-0.1 -0.825 83.8-105.1-141.8-178.2 29.5 -25.0 2.4 52 121 A D > - 0 0 88 -51,-0.3 3,-1.9 -2,-0.2 -49,-0.3 -0.949 20.8-160.8-115.7 108.4 27.6 -28.2 3.1 53 122 A L G > S+ 0 0 6 -2,-0.6 3,-2.5 1,-0.3 4,-0.1 0.639 82.1 83.3 -66.0 -13.0 25.4 -27.8 6.2 54 123 A A G > S+ 0 0 30 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.666 77.2 73.9 -63.5 -11.4 25.1 -31.6 6.5 55 124 A D G X + 0 0 37 -3,-1.9 3,-2.6 1,-0.2 -1,-0.3 0.502 65.6 96.0 -77.8 -5.1 28.5 -31.2 8.2 56 125 A L G X S+ 0 0 1 -3,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.721 73.6 65.8 -56.3 -21.8 26.6 -29.8 11.2 57 126 A S G < S+ 0 0 53 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.465 94.0 57.7 -82.7 2.2 26.8 -33.3 12.6 58 127 A S G X S+ 0 0 35 -3,-2.6 3,-1.3 1,-0.1 -1,-0.2 0.307 77.8 96.6-107.8 3.5 30.6 -33.1 12.9 59 128 A L G X + 0 0 1 -3,-1.0 3,-2.3 1,-0.3 6,-0.2 0.817 67.6 70.5 -63.3 -34.0 30.4 -30.0 15.1 60 129 A P G 3 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.739 84.6 73.6 -56.8 -19.3 30.7 -32.2 18.3 61 130 A E G < S+ 0 0 117 -3,-1.3 2,-0.4 2,-0.1 -2,-0.2 0.702 86.5 71.3 -68.5 -18.4 34.4 -32.7 17.2 62 131 A I S X S- 0 0 18 -3,-2.3 3,-1.0 -4,-0.2 2,-0.2 -0.826 95.5-112.5 -99.2 135.6 35.2 -29.1 18.2 63 132 A D T 3 S+ 0 0 144 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.0 -0.490 97.5 0.7 -69.6 135.4 35.3 -28.3 21.9 64 133 A N T 3 S- 0 0 84 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.917 90.0-171.2 52.4 49.2 32.4 -26.0 23.0 65 134 A A < + 0 0 9 -3,-1.0 2,-0.4 -6,-0.2 36,-0.2 -0.506 8.1 179.6 -72.6 136.9 31.1 -25.9 19.5 66 135 A L E -b 14 0A 0 -53,-2.2 -51,-2.3 -2,-0.2 2,-0.5 -0.965 11.5-164.3-143.1 123.7 28.3 -23.3 18.9 67 136 A V E -bc 15 102A 1 34,-2.6 36,-1.4 -2,-0.4 2,-0.4 -0.921 6.3-170.9-111.9 130.8 26.4 -22.5 15.7 68 137 A V E -bc 16 103A 0 -53,-2.7 -51,-2.0 -2,-0.5 2,-0.5 -0.977 7.4-154.8-123.0 130.1 24.3 -19.4 15.3 69 138 A F E -bc 17 104A 0 34,-2.3 36,-2.9 -2,-0.4 2,-0.8 -0.905 9.1-171.2-109.0 120.1 22.0 -18.6 12.4 70 139 A C E +bc 18 105A 0 -53,-3.3 -51,-3.2 -2,-0.5 2,-0.5 -0.872 26.3 179.3-105.0 95.6 21.1 -15.1 11.3 71 140 A M E -bc 19 106A 0 34,-1.4 36,-3.3 -2,-0.8 2,-0.3 -0.862 19.1-158.6-110.5 131.8 18.4 -15.8 8.7 72 141 A A E - c 0 107A 9 -53,-1.4 8,-0.7 -2,-0.5 2,-0.4 -0.768 15.8-134.9-101.8 147.7 16.3 -13.4 6.6 73 142 A T E +F 79 0B 26 34,-1.7 2,-0.2 -2,-0.3 3,-0.1 -0.860 25.3 177.7-106.0 135.2 12.9 -14.3 5.1 74 143 A Y E > -F 78 0B 67 4,-2.9 4,-3.7 -2,-0.4 43,-0.0 -0.766 45.0 -2.3-128.7 174.3 11.9 -13.5 1.5 75 144 A G T 4 S- 0 0 36 -2,-0.2 -1,-0.2 1,-0.2 527,-0.0 0.583 129.7 -9.8 4.3 102.5 9.1 -13.9 -1.0 76 145 A E T 4 S- 0 0 101 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.920 129.0 -56.4 60.6 46.9 6.3 -16.0 0.5 77 146 A G T 4 S+ 0 0 15 1,-0.2 -2,-0.2 37,-0.2 -1,-0.2 0.894 99.6 142.9 53.4 46.9 8.2 -17.0 3.6 78 147 A D E < -F 74 0B 61 -4,-3.7 -4,-2.9 1,-0.1 40,-0.2 -0.686 53.5 -93.9-111.4 168.5 11.1 -18.6 1.6 79 148 A P E -F 73 0B 5 0, 0.0 -6,-0.1 0, 0.0 5,-0.1 -0.442 44.2 -99.4 -79.4 152.7 14.9 -18.6 2.3 80 149 A T > - 0 0 0 -8,-0.7 3,-1.7 -2,-0.1 -59,-0.1 -0.271 45.2-102.2 -60.7 162.3 17.2 -16.0 0.7 81 150 A D G > S+ 0 0 89 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.874 121.4 58.8 -59.8 -38.4 18.9 -17.5 -2.3 82 151 A N G 3 S+ 0 0 12 -62,-0.4 -33,-0.3 1,-0.3 -1,-0.3 0.591 110.3 45.1 -69.4 -5.8 22.2 -18.1 -0.5 83 152 A A G <> S+ 0 0 0 -3,-1.7 4,-2.0 -35,-0.1 -1,-0.3 0.155 81.8 97.4-120.6 16.4 20.3 -20.4 1.9 84 153 A Q H <> S+ 0 0 69 -3,-1.6 4,-2.9 2,-0.2 5,-0.2 0.903 84.0 51.5 -71.5 -41.9 18.2 -22.3 -0.5 85 154 A D H > S+ 0 0 101 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.894 111.7 48.2 -59.6 -41.0 20.6 -25.3 -0.6 86 155 A F H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 111.6 48.9 -65.0 -47.4 20.5 -25.3 3.3 87 156 A Y H X S+ 0 0 43 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.942 110.6 50.6 -58.4 -50.3 16.7 -25.2 3.3 88 157 A D H X S+ 0 0 77 -4,-2.9 4,-1.3 1,-0.2 3,-0.4 0.893 110.5 51.2 -57.0 -38.8 16.5 -28.0 0.8 89 158 A W H X S+ 0 0 30 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.949 104.9 55.7 -63.7 -48.5 18.8 -30.0 3.0 90 159 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.724 107.7 49.5 -56.7 -26.1 16.7 -29.4 6.2 91 160 A Q H < S+ 0 0 97 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.824 116.4 36.4 -88.2 -30.0 13.6 -30.9 4.6 92 161 A E H < S+ 0 0 162 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.702 100.8 89.9 -94.7 -20.0 15.0 -34.1 3.2 93 162 A T < + 0 0 22 -4,-2.2 -39,-0.0 -5,-0.2 -4,-0.0 -0.396 39.4 175.6 -79.2 153.8 17.4 -34.9 6.0 94 163 A D + 0 0 141 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.1 -0.089 32.0 149.9-141.4 29.2 16.6 -36.9 9.1 95 164 A V - 0 0 48 1,-0.1 2,-0.7 2,-0.0 -2,-0.0 -0.321 51.9-113.2 -66.4 150.0 20.2 -36.9 10.4 96 165 A D - 0 0 107 1,-0.1 34,-0.2 34,-0.1 -1,-0.1 -0.767 30.3-177.2 -88.1 118.2 20.7 -37.0 14.2 97 166 A L > + 0 0 0 32,-2.7 3,-2.0 -2,-0.7 35,-0.2 -0.054 22.6 151.3-104.5 31.8 22.1 -33.8 15.5 98 167 A S T 3 + 0 0 70 31,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.396 68.3 30.8 -60.1 140.1 22.5 -34.7 19.2 99 168 A G T 3 S+ 0 0 46 31,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.181 88.2 118.9 96.8 -19.5 25.4 -32.7 20.6 100 169 A V < - 0 0 3 -3,-2.0 32,-2.9 26,-0.1 2,-0.4 -0.650 50.2-155.1 -81.8 139.3 25.0 -29.7 18.3 101 170 A K E + d 0 132A 44 -2,-0.3 -34,-2.6 -36,-0.2 2,-0.3 -0.968 21.7 171.3-115.4 131.2 24.3 -26.4 20.2 102 171 A F E -cd 67 133A 0 30,-2.2 32,-3.2 -2,-0.4 33,-0.6 -0.936 26.4-170.2-143.3 163.9 22.5 -23.6 18.3 103 172 A A E -c 68 0A 0 -36,-1.4 -34,-2.3 -2,-0.3 2,-0.4 -0.973 17.4-153.9-147.0 145.9 20.8 -20.2 18.5 104 173 A V E -c 69 0A 0 31,-0.4 34,-3.0 -2,-0.3 2,-0.6 -0.978 11.0-171.7-134.4 125.8 18.7 -18.6 15.8 105 174 A F E -ce 70 138A 1 -36,-2.9 -34,-1.4 -2,-0.4 2,-0.3 -0.939 16.9-158.0-114.6 111.8 18.0 -14.9 15.0 106 175 A G E -ce 71 139A 0 32,-3.1 34,-2.9 -2,-0.6 2,-0.6 -0.659 7.4-147.9 -90.4 142.9 15.5 -14.3 12.3 107 176 A L E +ce 72 140A 12 -36,-3.3 -34,-1.7 -2,-0.3 2,-0.2 -0.950 39.3 143.1-107.2 118.9 15.2 -11.1 10.3 108 177 A G E - 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0 0 69 1,-0.1 4,-1.8 -3,-0.1 3,-0.8 -0.523 24.7-105.9 -90.8 161.8 5.9 48.2 35.5 922 386 B T H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.842 118.9 56.0 -55.1 -39.9 6.6 51.3 37.8 923 387 B N H 3> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.864 108.1 50.3 -62.7 -33.0 9.8 49.8 39.2 924 388 B V H <> S+ 0 0 4 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.902 110.1 47.9 -70.6 -43.8 11.1 49.4 35.7 925 389 B L H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 3,-0.4 0.941 110.2 54.6 -62.7 -46.4 10.4 53.0 34.7 926 390 B Y H >X S+ 0 0 108 -4,-2.6 3,-1.5 1,-0.2 4,-0.7 0.968 108.8 45.0 -48.8 -68.8 12.0 54.2 37.9 927 391 B E H 3< S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.735 114.8 51.1 -49.3 -28.1 15.3 52.5 37.3 928 392 B L H >< S+ 0 0 1 -4,-1.3 3,-2.5 -3,-0.4 -1,-0.3 0.756 87.8 80.6 -83.7 -25.7 15.3 53.6 33.7 929 393 B A H X< S+ 0 0 0 -4,-1.9 3,-2.3 -3,-1.5 -1,-0.2 0.894 77.7 72.5 -44.9 -48.7 14.6 57.3 34.5 930 394 B Q T 3< S+ 0 0 70 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.567 92.1 58.7 -45.9 -12.8 18.3 57.8 35.3 931 395 B Y T < S+ 0 0 58 -3,-2.5 46,-2.8 7,-0.1 2,-0.7 0.108 75.1 115.1-108.5 22.0 19.0 57.5 31.5 932 396 B A B < -L 976 0O 3 -3,-2.3 44,-0.3 44,-0.3 6,-0.1 -0.838 50.1-161.1 -96.5 111.0 16.8 60.5 30.4 933 397 B S S S+ 0 0 82 42,-4.0 -1,-0.2 -2,-0.7 43,-0.1 0.954 79.3 68.1 -51.0 -56.1 18.9 63.3 28.9 934 398 B E S > S- 0 0 89 1,-0.1 4,-0.5 -3,-0.1 3,-0.5 -0.529 79.6-143.7 -72.1 122.8 16.1 65.8 29.5 935 399 B P H > S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.537 96.9 57.8 -63.4 -10.1 15.4 66.5 33.2 936 400 B S H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.854 101.7 53.2 -87.1 -39.6 11.6 66.7 32.7 937 401 B E H > S+ 0 0 34 -3,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.619 104.8 62.0 -68.9 -11.4 11.3 63.2 31.3 938 402 B Q H X S+ 0 0 45 -4,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.941 105.7 37.6 -81.5 -51.3 13.2 62.0 34.4 939 403 B E H X S+ 0 0 113 -4,-0.9 4,-1.9 1,-0.2 5,-0.2 0.727 110.6 66.8 -72.1 -18.5 10.8 63.0 37.2 940 404 B L H X S+ 0 0 43 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.941 105.2 40.7 -62.8 -46.8 8.1 62.0 34.7 941 405 B L H < S+ 0 0 0 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.620 114.2 53.6 -78.3 -14.3 9.3 58.4 35.0 942 406 B R H >< S+ 0 0 106 -4,-0.8 3,-1.0 1,-0.1 -1,-0.2 0.746 102.0 55.7 -91.4 -27.4 9.8 58.6 38.8 943 407 B K H >< S+ 0 0 51 -4,-1.9 3,-2.1 1,-0.3 5,-0.2 0.807 95.1 68.7 -73.4 -29.1 6.3 59.9 39.7 944 408 B M T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.378 95.0 57.4 -71.4 7.2 4.9 56.8 37.9 945 409 B A T < S+ 0 0 28 -3,-1.0 -1,-0.3 -20,-0.1 -2,-0.2 0.445 87.5 103.6-110.1 -10.0 6.4 54.8 40.7 946 410 B S S < S- 0 0 52 -3,-2.1 -189,-0.1 -4,-0.1 3,-0.0 -0.360 71.3-135.0 -74.8 154.9 4.4 56.8 43.3 947 411 B S S S+ 0 0 16 -190,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.114 78.9 15.7 -97.3 20.0 1.3 55.4 45.0 948 412 B S S > S+ 0 0 86 -5,-0.2 3,-0.7 -190,-0.0 2,-0.1 -0.943 93.2 31.8 179.6 159.9 -0.9 58.4 44.7 949 413 B G T >> S- 0 0 34 -2,-0.3 4,-1.4 1,-0.2 3,-0.5 -0.408 114.1 -19.1 82.6-159.8 -1.5 61.8 43.1 950 414 B E H 3> S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.795 129.5 70.9 -53.0 -30.3 -0.5 62.8 39.5 951 415 B G H <> S+ 0 0 2 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.946 104.0 34.4 -52.9 -59.4 1.9 59.9 39.6 952 416 B K H X>>S+ 0 0 59 -3,-0.5 4,-3.3 2,-0.2 3,-1.2 0.979 116.1 53.5 -60.2 -60.8 -0.7 57.1 39.5 953 417 B E H 3X5S+ 0 0 129 -4,-1.4 4,-1.2 1,-0.3 -1,-0.2 0.807 112.6 47.6 -45.5 -34.5 -3.2 58.8 37.3 954 418 B L H 3X>S+ 0 0 53 -4,-2.0 4,-2.1 -5,-0.3 5,-0.6 0.786 115.2 44.0 -79.7 -29.7 -0.3 59.4 34.9 955 419 B Y H S+ 0 0 5 -4,-1.4 5,-2.6 -3,-1.2 4,-1.7 0.958 116.2 45.6 -76.0 -55.1 0.8 55.7 35.1 956 420 B L H <>S+ 0 0 59 -4,-3.3 5,-3.4 3,-0.2 -2,-0.2 0.822 126.0 34.5 -55.5 -33.9 -2.7 54.3 34.8 957 421 B S H - 0 0 16 -2,-0.6 4,-1.8 -46,-0.2 -48,-0.1 -0.161 39.8 -87.4 -82.7-171.9 5.1 48.9 25.6 966 430 B I H > S+ 0 0 2 -48,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 128.7 53.4 -64.5 -43.1 8.8 49.6 26.2 967 431 B L H 4 S+ 0 0 4 -51,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.843 107.9 52.9 -60.3 -34.1 9.4 50.6 22.6 968 432 B A H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-1.0 0.913 109.0 48.0 -67.0 -44.5 6.6 53.0 22.8 969 433 B I H 3< S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.838 106.2 57.7 -65.6 -34.0 8.0 54.7 25.9 970 434 B L T 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.566 112.7 42.1 -74.1 -7.3 11.5 54.9 24.2 971 435 B Q T <4 S+ 0 0 73 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.796 113.4 47.4-103.8 -42.1 9.9 56.9 21.4 972 436 B D S < S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.311 117.1 45.9 -85.0 9.5 7.6 59.2 23.4 973 437 B C S > S+ 0 0 1 -4,-0.4 3,-2.3 -5,-0.1 -1,-0.3 -0.522 74.1 175.9-146.8 64.5 10.4 60.1 25.8 974 438 B P T 3 S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -41,-0.1 0.603 72.3 63.5 -49.0 -23.9 13.2 60.7 23.2 975 439 B S T 3 S+ 0 0 13 -43,-0.1 -42,-4.0 -41,-0.1 2,-0.7 0.476 80.1 100.4 -85.5 -0.4 15.8 61.7 25.8 976 440 B L B < +L 932 0O 4 -3,-2.3 -44,-0.3 -44,-0.3 -3,-0.1 -0.772 41.1 155.7 -88.3 113.9 15.6 58.3 27.4 977 441 B R + 0 0 169 -46,-2.8 -100,-0.1 -2,-0.7 3,-0.1 -0.621 11.4 172.1-143.1 80.1 18.6 56.2 26.2 978 442 B P - 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