==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-MAR-12 4EF0 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.VINAIK,G.KOZLOV,K.GEHRING . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 8.3 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 . 0 0.0 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 0.4 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 . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 0 2 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 . 0 1 1 0 2 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 . 0 0 0 2 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 26 A M 0 0 104 0, 0.0 2,-0.6 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 -50.8 -25.2 15.9 -17.3 2 27 A V - 0 0 42 50,-0.1 2,-0.5 52,-0.0 52,-0.2 -0.889 360.0-136.0 -88.5 121.1 -26.6 12.4 -17.1 3 28 A I E -a 54 0A 51 50,-2.6 52,-2.2 -2,-0.6 2,-0.6 -0.678 10.4-132.7 -81.8 123.7 -23.7 10.0 -17.5 4 29 A E E -a 55 0A 94 -2,-0.5 2,-0.4 50,-0.2 52,-0.2 -0.690 26.2-158.1 -79.5 120.8 -24.4 7.1 -19.9 5 30 A L E +a 56 0A 0 50,-3.0 52,-0.5 -2,-0.6 49,-0.0 -0.847 17.0 168.8-109.1 138.0 -23.1 4.0 -18.2 6 31 A T >> - 0 0 30 -2,-0.4 4,-1.9 50,-0.1 3,-0.8 -0.847 52.1 -94.3-137.0 167.1 -22.2 0.7 -19.9 7 32 A P T 34 S+ 0 0 64 0, 0.0 4,-0.5 0, 0.0 49,-0.0 0.839 123.2 56.6 -53.3 -31.5 -20.5 -2.6 -19.0 8 33 A S T 34 S+ 0 0 104 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.782 120.0 24.9 -74.3 -29.3 -17.2 -1.0 -20.3 9 34 A N T <> S+ 0 0 23 -3,-0.8 4,-2.8 2,-0.1 5,-0.3 0.477 94.7 93.4-113.9 -3.6 -17.2 2.1 -18.1 10 35 A F H X>S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 5,-1.4 0.885 87.6 47.5 -61.0 -43.5 -19.3 1.0 -15.0 11 36 A N H 4>S+ 0 0 92 -4,-0.5 5,-2.5 3,-0.2 -1,-0.2 0.951 117.2 41.6 -62.4 -50.8 -16.3 -0.2 -12.9 12 37 A R H 45S+ 0 0 162 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.907 123.0 38.8 -63.2 -46.1 -14.2 2.9 -13.5 13 38 A E H <5S+ 0 0 50 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.924 134.2 9.7 -73.2 -47.6 -17.1 5.4 -13.2 14 39 A V T ><5S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.3 -3,-0.2 0.898 124.3 46.3-104.1 -58.2 -19.1 4.0 -10.3 15 40 A I T 3 - 0 0 0 -2,-0.2 3,-1.4 31,-0.2 6,-0.2 -0.998 21.2-138.1-125.7 133.5 -35.4 0.5 -21.2 28 53 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.836 102.9 51.8 -58.8 -33.5 -35.8 2.9 -24.2 29 54 A W T 3 S+ 0 0 158 4,-0.1 2,-0.5 -3,-0.1 3,-0.0 0.514 84.9 108.5 -81.2 -8.6 -39.2 1.5 -25.1 30 55 A C <> - 0 0 9 -3,-1.4 4,-2.6 1,-0.1 5,-0.1 -0.613 58.6-153.7 -82.7 122.2 -40.7 1.8 -21.6 31 56 A G H > S+ 0 0 27 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.841 97.2 53.2 -59.6 -36.8 -43.3 4.6 -21.2 32 57 A H H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 110.3 46.9 -66.7 -41.9 -42.5 4.9 -17.5 33 58 A C H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.909 109.7 54.8 -63.2 -41.8 -38.8 5.4 -18.3 34 59 A Q H < S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 109.1 47.1 -59.0 -41.1 -39.7 7.9 -21.0 35 60 A R H X S+ 0 0 160 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.826 111.3 52.3 -69.5 -31.7 -41.7 9.9 -18.4 36 61 A L H >X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 3,-0.5 0.811 88.4 83.9 -71.8 -31.2 -38.8 9.7 -15.9 37 62 A T H 3X S+ 0 0 58 -4,-1.9 4,-2.2 1,-0.3 5,-0.2 0.854 92.1 42.9 -43.6 -56.3 -36.2 11.0 -18.5 38 63 A P H 3> S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.875 115.7 49.8 -61.4 -35.2 -36.9 14.8 -18.0 39 64 A E H < S+ 0 0 80 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.926 111.9 49.1 -70.3 -43.3 -28.6 19.3 -13.2 46 71 A A H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 115.1 46.8 -61.9 -31.6 -29.6 20.3 -9.7 47 72 A L T >X S+ 0 0 0 -4,-2.1 3,-2.5 -5,-0.2 4,-2.4 0.267 79.4 149.4 -96.9 11.2 -26.9 17.9 -8.4 48 73 A K T <4 S- 0 0 91 -3,-1.4 4,-0.1 1,-0.3 -3,-0.1 -0.212 78.4 -2.1 -51.2 125.1 -24.1 19.1 -10.8 49 74 A D T 34 S+ 0 0 81 2,-0.2 87,-0.4 1,-0.1 -1,-0.3 0.665 128.8 70.9 64.3 20.5 -20.7 18.7 -9.1 50 75 A V T <4 S+ 0 0 4 -3,-2.5 -30,-0.4 1,-0.5 2,-0.4 0.593 107.8 9.7-122.8 -51.4 -22.4 17.4 -5.9 51 76 A V S < S- 0 0 7 -4,-2.4 -1,-0.5 -7,-0.2 2,-0.4 -0.987 74.7-123.2-134.2 140.4 -23.7 13.9 -6.8 52 77 A K E - b 0 21A 82 -32,-2.5 -30,-2.3 -2,-0.4 2,-0.5 -0.726 25.3-162.9 -87.7 134.8 -23.0 11.9 -9.9 53 78 A V E + b 0 22A 3 -52,-0.4 -50,-2.6 -2,-0.4 2,-0.2 -0.978 15.7 167.5-126.2 120.0 -26.1 10.8 -11.9 54 79 A G E -ab 3 23A 0 -32,-3.0 -30,-2.1 -2,-0.5 2,-0.3 -0.748 21.7-147.4-128.4 171.8 -26.0 8.1 -14.5 55 80 A A E -ab 4 24A 3 -52,-2.2 -50,-3.0 -2,-0.2 2,-0.5 -0.994 3.9-160.8-145.6 136.8 -28.2 5.8 -16.6 56 81 A V E -ab 5 25A 0 -32,-2.9 -30,-2.7 -2,-0.3 2,-1.5 -0.979 21.3-136.1-117.7 125.0 -27.8 2.2 -17.8 57 82 A D E > + b 0 26A 16 -52,-0.5 4,-3.0 -2,-0.5 -30,-0.2 -0.693 30.3 177.2 -74.2 94.0 -29.9 0.8 -20.7 58 83 A A T 4 S+ 0 0 7 -32,-1.7 7,-0.2 -2,-1.5 -1,-0.2 0.548 73.0 64.8 -83.2 -10.5 -30.5 -2.4 -18.9 59 84 A D T 4 S+ 0 0 77 -33,-1.2 3,-0.3 -3,-0.1 -1,-0.2 0.894 115.6 30.1 -70.1 -45.1 -32.7 -3.7 -21.8 60 85 A K T 4 S+ 0 0 132 1,-0.2 2,-1.5 2,-0.1 -2,-0.2 0.940 121.6 51.0 -77.0 -51.7 -29.6 -3.7 -24.0 61 86 A H X + 0 0 41 -4,-3.0 4,-2.3 1,-0.2 3,-0.4 -0.579 63.0 164.6 -93.4 73.9 -27.0 -4.4 -21.3 62 87 A H H > S+ 0 0 147 -2,-1.5 4,-3.7 -3,-0.3 5,-0.2 0.757 70.6 67.1 -60.8 -29.0 -28.6 -7.4 -19.7 63 88 A S H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 109.4 35.4 -55.0 -53.9 -25.3 -8.2 -18.0 64 89 A L H > S+ 0 0 6 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.874 117.2 54.9 -66.8 -40.0 -25.6 -5.1 -15.8 65 90 A G H <>S+ 0 0 4 -4,-2.3 5,-3.2 1,-0.2 -2,-0.2 0.892 111.4 44.7 -58.3 -43.3 -29.4 -5.6 -15.7 66 91 A G H ><5S+ 0 0 56 -4,-3.7 3,-1.5 3,-0.2 -2,-0.2 0.890 107.6 58.2 -67.7 -42.1 -28.9 -9.1 -14.3 67 92 A Q H 3<5S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.7 38.4 -59.0 -39.4 -26.2 -8.1 -11.8 68 93 A Y T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.028 116.5-109.2-105.4 25.5 -28.4 -5.6 -10.0 69 94 A G T < 5 + 0 0 53 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.790 49.8 176.9 56.4 37.6 -31.6 -7.7 -10.2 70 95 A V < + 0 0 23 -5,-3.2 -1,-0.2 -6,-0.2 3,-0.1 -0.636 15.6 155.4 -77.6 107.9 -33.4 -5.5 -12.8 71 96 A Q + 0 0 199 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.491 68.1 10.3-107.0 -12.1 -36.6 -7.3 -13.6 72 97 A G S S- 0 0 32 -3,-0.1 -1,-0.2 -47,-0.1 -47,-0.1 -0.943 89.5 -63.6-161.1 172.7 -38.5 -4.2 -14.7 73 98 A F S S+ 0 0 48 -2,-0.3 -41,-0.2 1,-0.2 -47,-0.1 -0.939 96.9 23.9-134.3 145.8 -38.0 -0.6 -15.6 74 99 A P + 0 0 12 0, 0.0 2,-0.5 0, 0.0 -48,-0.2 0.623 67.4 172.6 -78.7 149.2 -37.2 1.9 -14.3 75 100 A T E -C 25 0A 24 -50,-2.3 -50,-3.4 -2,-0.1 2,-0.5 -0.995 14.3-161.0-116.8 124.5 -35.1 0.6 -11.4 76 101 A I E -C 24 0A 9 -2,-0.5 13,-2.9 13,-0.5 2,-0.3 -0.925 7.7-172.9-113.1 127.6 -33.2 3.3 -9.5 77 102 A K E -CD 23 88A 33 -54,-2.7 -54,-2.8 -2,-0.5 2,-0.6 -0.911 17.2-145.2-120.1 146.2 -30.2 2.5 -7.3 78 103 A I E -CD 22 87A 12 9,-2.9 9,-2.6 -2,-0.3 2,-0.8 -0.955 12.0-159.9-110.4 117.3 -28.2 4.6 -4.9 79 104 A F E +C 21 0A 0 -58,-3.0 -58,-2.2 -2,-0.6 4,-0.2 -0.862 27.6 155.1-101.9 103.7 -24.5 3.8 -4.8 80 105 A G - 0 0 17 -2,-0.8 -1,-0.1 2,-0.4 3,-0.1 0.277 61.1 -32.5-101.7-135.5 -23.0 5.1 -1.5 81 106 A S S S+ 0 0 82 1,-0.2 2,-1.0 2,-0.1 3,-0.1 0.919 132.2 50.9 -58.5 -49.2 -20.0 4.2 0.6 82 107 A N > - 0 0 77 3,-0.2 3,-1.7 1,-0.2 -2,-0.4 -0.791 68.4-174.4 -92.6 99.1 -20.2 0.4 -0.2 83 108 A K T 3 S+ 0 0 11 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.616 82.1 62.8 -70.3 -12.8 -20.4 0.4 -4.0 84 109 A N T 3 S+ 0 0 123 1,-0.2 -1,-0.3 -69,-0.1 -2,-0.0 0.543 104.9 48.1 -86.1 -10.0 -20.9 -3.4 -3.9 85 110 A R S < S- 0 0 197 -3,-1.7 -1,-0.2 -5,-0.1 -5,-0.2 -0.550 76.1-175.2-132.0 70.1 -24.2 -2.9 -2.0 86 111 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.285 23.4-123.3 -64.6 149.8 -26.4 -0.3 -3.7 87 112 A E E -D 78 0A 125 -9,-2.6 -9,-2.9 1,-0.0 2,-0.4 -0.732 21.7-119.0 -91.8 142.3 -29.7 0.8 -2.0 88 113 A D E -D 77 0A 60 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.676 24.0-138.5 -80.8 130.5 -33.0 0.5 -3.9 89 114 A Y + 0 0 23 -13,-2.9 -13,-0.5 -2,-0.4 9,-0.0 -0.826 31.4 164.3 -93.3 121.3 -34.7 3.8 -4.4 90 115 A Q + 0 0 160 -2,-0.6 -1,-0.1 -15,-0.1 3,-0.1 0.010 39.5 111.1-124.4 27.8 -38.5 3.7 -3.9 91 116 A G S S- 0 0 38 1,-0.2 7,-0.1 6,-0.0 -2,-0.0 -0.206 78.5 -54.1 -86.3-174.1 -39.2 7.5 -3.5 92 117 A G - 0 0 39 1,-0.1 -1,-0.2 5,-0.1 6,-0.0 -0.189 43.9-125.6 -64.8 154.0 -41.1 9.7 -5.9 93 118 A R S S+ 0 0 123 4,-0.1 2,-0.3 -3,-0.1 -54,-0.2 -0.100 74.5 104.3 -97.3 34.9 -40.1 10.0 -9.6 94 119 A T S > S- 0 0 61 1,-0.1 4,-2.4 -55,-0.1 5,-0.2 -0.818 81.0-117.6-105.8 155.9 -39.7 13.8 -9.7 95 120 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.886 116.1 55.8 -54.7 -40.1 -36.4 15.6 -9.7 96 121 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 109.3 43.4 -59.4 -49.4 -37.4 17.2 -6.4 97 122 A A H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 114.4 50.6 -65.6 -40.9 -38.0 13.9 -4.7 98 123 A I H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 109.3 50.9 -63.6 -44.0 -34.8 12.4 -6.1 99 124 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.918 109.1 51.2 -60.2 -44.1 -32.7 15.4 -5.0 100 125 A D H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.908 110.1 49.4 -59.3 -42.4 -34.2 15.1 -1.5 101 126 A A H X S+ 0 0 24 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.887 109.6 52.4 -63.2 -38.8 -33.2 11.4 -1.4 102 127 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 107.8 50.6 -63.4 -43.5 -29.7 12.3 -2.6 103 128 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.894 110.5 49.5 -61.2 -41.1 -29.3 14.8 0.2 104 129 A S H X S+ 0 0 69 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.905 110.9 50.0 -63.9 -42.1 -30.4 12.2 2.8 105 130 A A H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.857 109.3 51.8 -64.0 -37.4 -27.9 9.7 1.3 106 131 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.889 106.5 53.4 -65.5 -41.5 -25.1 12.3 1.4 107 132 A R H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.927 112.4 45.1 -57.0 -45.1 -25.9 13.0 5.1 108 133 A Q H X S+ 0 0 105 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.908 112.4 52.1 -65.1 -44.0 -25.5 9.2 5.7 109 134 A L H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.920 114.4 40.1 -58.6 -49.6 -22.3 9.0 3.6 110 135 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.862 112.6 54.6 -73.7 -35.4 -20.5 11.8 5.4 111 136 A K H X S+ 0 0 49 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.874 109.2 48.8 -64.7 -39.1 -21.6 10.9 8.9 112 137 A D H < S+ 0 0 83 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.862 109.3 52.1 -67.4 -38.8 -20.3 7.3 8.4 113 138 A R H < S+ 0 0 77 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 110.7 48.2 -64.1 -38.4 -17.0 8.7 7.2 114 139 A L H < 0 0 43 -4,-2.0 -2,-0.2 48,-0.1 -1,-0.2 0.809 360.0 360.0 -69.1 -32.5 -16.8 10.9 10.3 115 140 A G < 0 0 100 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.568 360.0 360.0 115.2 360.0 -17.6 7.8 12.4 116 !* 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 0.0 117 26 B M 0 0 106 0, 0.0 2,-0.6 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 -28.2 -7.5 16.3 0.8 118 27 B V - 0 0 39 50,-0.1 2,-0.5 52,-0.0 52,-0.2 -0.812 360.0-135.6 -84.5 123.9 -7.3 20.0 1.7 119 28 B I E -e 170 0B 48 50,-2.8 52,-2.1 -2,-0.6 2,-0.5 -0.709 11.0-133.0 -84.9 121.8 -6.5 22.0 -1.5 120 29 B E E -e 171 0B 95 -2,-0.5 2,-0.4 50,-0.2 52,-0.2 -0.648 26.2-156.4 -76.1 121.1 -3.9 24.7 -1.0 121 30 B L E +e 172 0B 0 50,-3.3 52,-0.5 -2,-0.5 -1,-0.0 -0.862 19.5 164.1-108.6 135.0 -5.2 27.8 -2.7 122 31 B T >> - 0 0 32 -2,-0.4 4,-2.0 50,-0.1 3,-0.8 -0.837 55.4 -91.8-136.7 169.2 -3.1 30.6 -4.0 123 32 B P T 34 S+ 0 0 74 0, 0.0 4,-0.4 0, 0.0 49,-0.0 0.805 123.5 59.0 -53.4 -27.1 -3.4 33.7 -6.3 124 33 B S T 34 S+ 0 0 114 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.786 120.7 20.4 -75.5 -29.9 -2.1 31.3 -9.1 125 34 B N T <> S+ 0 0 23 -3,-0.8 4,-2.7 2,-0.1 5,-0.3 0.467 94.6 95.2-118.5 -2.1 -4.9 28.7 -8.8 126 35 B F H X>S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 5,-1.4 0.888 86.7 49.0 -61.9 -41.3 -7.8 30.4 -7.1 127 36 B N H 4>S+ 0 0 89 -4,-0.4 5,-2.5 3,-0.2 6,-0.2 0.953 116.9 39.9 -64.9 -49.4 -9.7 31.4 -10.2 128 37 B R H 45S+ 0 0 145 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.901 122.6 41.3 -65.2 -43.1 -9.5 28.0 -11.9 129 38 B E H <5S+ 0 0 38 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.926 134.6 8.4 -72.9 -46.7 -10.2 26.0 -8.7 130 39 B V T ><5S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.3 -3,-0.2 0.888 125.8 47.0-105.3 -56.6 -12.9 28.1 -7.0 131 40 B I T 3 - 0 0 0 -2,-0.2 3,-1.2 31,-0.2 6,-0.2 -0.995 22.0-136.6-122.5 136.8 -2.1 32.4 9.1 144 53 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.796 104.0 51.3 -60.1 -29.2 0.6 29.7 9.9 145 54 B W T 3 S+ 0 0 161 4,-0.1 2,-0.4 -3,-0.0 3,-0.0 0.552 84.0 108.2 -86.4 -10.6 1.5 31.4 13.2 146 55 B C <> - 0 0 11 -3,-1.2 4,-2.3 1,-0.1 5,-0.1 -0.553 60.0-150.2 -79.3 125.6 -2.1 31.7 14.5 147 56 B G H > S+ 0 0 42 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.850 98.9 50.5 -60.8 -38.2 -2.9 29.4 17.4 148 57 B H H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.878 110.3 49.9 -67.9 -39.5 -6.6 29.2 16.4 149 58 B C H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.888 109.2 52.6 -62.3 -41.0 -5.6 28.3 12.9 150 59 B Q H < S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 109.6 48.0 -63.2 -39.3 -3.3 25.6 14.2 151 60 B R H X S+ 0 0 165 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.834 110.8 52.6 -69.1 -32.3 -6.1 24.1 16.3 152 61 B L H >X S+ 0 0 2 -4,-1.7 4,-3.0 1,-0.2 3,-0.7 0.834 89.1 83.0 -70.8 -33.1 -8.4 24.2 13.2 153 62 B T H 3X S+ 0 0 58 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.839 94.1 39.8 -43.2 -58.2 -5.9 22.4 10.9 154 63 B P H 3> S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.830 117.8 50.0 -66.0 -29.8 -6.7 18.8 12.0 155 64 B E H < S+ 0 0 73 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.920 112.8 49.7 -67.0 -43.1 -11.8 13.8 4.1 162 71 B A H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.821 114.2 46.5 -62.5 -31.4 -15.4 13.3 5.2 163 72 B L T >X S+ 0 0 0 -4,-1.9 3,-2.6 -5,-0.2 4,-2.3 0.257 79.5 149.8 -97.2 11.1 -16.5 15.5 2.2 164 73 B K T <4 S- 0 0 88 -3,-1.3 4,-0.1 1,-0.3 -3,-0.1 -0.205 78.1 -1.4 -51.1 125.3 -14.3 13.8 -0.4 165 74 B D T 34 S+ 0 0 77 2,-0.2 -145,-0.4 1,-0.1 -1,-0.3 0.644 128.6 70.8 65.0 18.0 -16.0 14.0 -3.8 166 75 B V T <4 S+ 0 0 3 -3,-2.6 -30,-0.4 1,-0.5 2,-0.3 0.625 108.6 7.5-120.1 -53.0 -19.0 15.8 -2.3 167 76 B V S < S- 0 0 7 -4,-2.3 -1,-0.5 -7,-0.2 2,-0.4 -0.982 74.2-123.7-134.1 141.3 -17.7 19.3 -1.4 168 77 B K E - 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