==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-APR-12 4APN . COMPND 2 MOLECULE: TRYPANOTHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA INFANTUM; . AUTHOR P.BAIOCCO,A.ILARI,G.COLOTTI,M.BIAVA . 976 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 0.2 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 . 94 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 2 3 1 0 0 2 0 1 3 2 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 5 4 5 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 . 6 0 6 7 5 1 1 2 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 4 0 2 2 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 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 1 A M 0 0 209 0, 0.0 2,-0.4 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 139.3 -25.8 -29.2 26.8 2 2 A S - 0 0 120 151,-0.0 2,-0.2 152,-0.0 4,-0.1 -0.990 360.0-176.4-123.1 132.3 -24.8 -25.8 28.2 3 3 A R - 0 0 72 -2,-0.4 150,-0.1 2,-0.1 151,-0.1 -0.594 42.5 -88.7-122.5 178.4 -21.8 -23.9 26.9 4 4 A A S S+ 0 0 50 -2,-0.2 2,-0.3 1,-0.1 149,-0.2 0.894 109.0 5.9 -56.2 -47.9 -19.8 -20.6 27.5 5 5 A Y B -a 153 0A 48 147,-2.6 149,-0.9 1,-0.1 26,-0.2 -0.910 55.4-147.5-130.5 159.0 -21.9 -18.6 25.1 6 6 A D S S+ 0 0 37 24,-1.7 149,-0.5 -2,-0.3 2,-0.3 0.494 90.0 32.2-101.9 -6.7 -25.1 -19.2 23.1 7 7 A L E -b 31 0B 0 23,-1.4 25,-2.9 147,-0.1 2,-0.5 -0.938 56.3-176.2-148.9 126.4 -24.1 -16.9 20.3 8 8 A V E -bc 32 156B 0 147,-2.0 149,-2.4 -2,-0.3 2,-0.6 -0.988 15.9-159.9-116.2 118.8 -20.7 -16.0 18.8 9 9 A V E -bc 33 157B 0 23,-3.2 25,-3.4 -2,-0.5 2,-0.9 -0.882 6.5-152.5-100.3 119.5 -20.9 -13.3 16.1 10 10 A L E S+bc 34 158B 2 147,-3.1 149,-2.8 -2,-0.6 25,-0.1 -0.834 75.2 28.2 -89.9 106.3 -18.0 -13.0 13.7 11 11 A G - 0 0 10 23,-3.0 2,-1.4 -2,-0.9 24,-0.2 0.483 68.1-136.5 107.8 109.7 -18.1 -9.4 12.6 12 12 A A + 0 0 0 4,-0.2 37,-2.4 35,-0.1 38,-0.4 -0.530 63.8 129.9 -87.5 65.1 -19.4 -6.4 14.5 13 13 A G S > S- 0 0 9 -2,-1.4 4,-2.5 146,-0.2 5,-0.2 -0.136 78.2 -72.4-104.1-161.8 -21.1 -5.1 11.4 14 14 A S T 4 S+ 0 0 27 2,-0.2 4,-0.3 1,-0.2 36,-0.1 0.914 136.1 32.3 -61.8 -45.7 -24.6 -3.8 10.5 15 15 A G T > S+ 0 0 4 2,-0.2 4,-2.2 144,-0.1 3,-0.3 0.883 119.8 53.3 -76.9 -42.2 -26.0 -7.3 10.6 16 16 A G H > S+ 0 0 0 143,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.938 109.7 44.8 -59.6 -54.0 -23.7 -8.6 13.4 17 17 A L H X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.634 111.7 56.5 -68.6 -15.2 -24.4 -5.8 15.9 18 18 A E H > S+ 0 0 50 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.918 113.1 37.8 -77.6 -49.0 -28.1 -6.2 15.1 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.868 117.5 53.0 -68.5 -38.0 -28.2 -9.9 15.9 20 20 A G H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -3,-0.2 0.968 112.8 41.8 -60.0 -57.5 -25.8 -9.4 18.9 21 21 A W H X S+ 0 0 100 -4,-1.4 4,-2.3 1,-0.2 5,-0.3 0.934 115.9 48.3 -54.9 -54.1 -27.8 -6.7 20.5 22 22 A N H X>S+ 0 0 25 -4,-2.0 4,-1.5 1,-0.2 5,-1.0 0.863 110.7 48.7 -62.2 -43.1 -31.3 -8.3 20.0 23 23 A A H <5S+ 0 0 0 -4,-2.0 6,-2.1 1,-0.2 4,-0.4 0.905 117.9 42.2 -61.7 -42.1 -30.3 -11.8 21.3 24 24 A A H <5S+ 0 0 5 -4,-1.8 -2,-0.2 4,-0.3 -1,-0.2 0.791 123.5 33.7 -76.9 -31.8 -28.7 -10.2 24.4 25 25 A V H <5S+ 0 0 56 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.919 126.9 29.3 -95.6 -53.0 -31.3 -7.6 25.2 26 26 A T T <5S+ 0 0 92 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.768 137.1 27.4 -81.8 -25.9 -34.8 -8.9 24.3 27 27 A H S - 0 0 9 4,-0.9 3,-0.6 3,-0.1 142,-0.0 -0.824 53.1-105.3 174.2 145.2 -8.1 3.2 11.2 42 42 A P G > S+ 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.789 100.9 66.2 -45.0 -55.5 -5.9 2.5 8.1 43 43 A P G 3 S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.865 131.1 1.7 -45.8 -50.9 -4.0 -0.7 8.9 44 44 A L G < S- 0 0 53 -3,-0.6 -3,-0.1 1,-0.1 -7,-0.0 -0.842 83.1-157.2-135.9 95.4 -7.2 -2.7 8.7 45 45 A F < + 0 0 18 -3,-0.7 -4,-0.9 -2,-0.3 -1,-0.1 0.737 63.8 79.5 -53.7 -44.3 -9.9 -0.2 7.8 46 46 A A + 0 0 11 -6,-0.1 2,-0.2 -4,-0.1 5,-0.1 -0.236 57.1 152.4 -65.0 153.5 -13.1 -1.9 9.1 47 47 A A > - 0 0 0 3,-0.3 3,-2.1 -11,-0.1 2,-0.4 -0.692 49.6 -20.7-153.3-157.3 -13.9 -1.8 12.9 48 48 A L T 3 S+ 0 0 1 1,-0.3 -8,-0.2 -11,-0.2 -35,-0.1 -0.575 128.8 33.8 -66.1 119.2 -16.6 -1.9 15.5 49 49 A G T 3> S- 0 0 2 -37,-2.4 4,-1.0 -2,-0.4 -1,-0.3 0.177 110.6-121.5 111.8 -13.1 -19.8 -0.9 13.6 50 50 A G H <> - 0 0 8 -3,-2.1 4,-2.2 -38,-0.4 5,-0.4 -0.194 51.8 -42.4 76.0-167.1 -18.7 -2.6 10.4 51 51 A T H > S+ 0 0 42 1,-0.2 4,-1.2 3,-0.2 5,-0.4 0.916 131.5 64.3 -63.5 -45.0 -18.2 -1.0 6.9 52 52 A C H > S+ 0 0 12 4,-0.2 6,-2.5 1,-0.2 4,-0.5 0.896 115.2 28.4 -41.6 -56.3 -21.4 1.0 7.3 53 53 A V H < S+ 0 0 9 -4,-1.0 -1,-0.2 4,-0.2 -2,-0.2 0.940 131.5 32.4 -73.8 -50.9 -20.0 3.1 10.2 54 54 A N H < S+ 0 0 0 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.934 137.1 0.2 -83.6 -52.3 -16.3 3.0 9.6 55 55 A V H < S+ 0 0 5 -4,-1.2 -3,-0.2 -5,-0.4 -1,-0.2 -0.233 122.3 39.3-136.9 46.2 -15.6 2.9 5.8 56 56 A G S X S+ 0 0 15 -4,-0.5 4,-2.6 -5,-0.4 5,-0.3 -0.342 104.0 8.5-154.2-128.3 -19.0 3.0 4.1 57 57 A C H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.824 124.0 44.0 -40.3 -55.1 -22.5 4.5 4.3 58 58 A V H > S+ 0 0 9 -6,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.964 118.3 37.1 -67.4 -60.6 -21.8 7.0 7.0 59 59 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.859 117.8 54.8 -62.2 -33.0 -18.5 8.6 6.1 60 60 A K H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.964 107.6 47.4 -60.6 -55.1 -19.5 8.4 2.4 61 61 A K H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.885 111.3 52.0 -55.7 -43.4 -22.7 10.3 2.9 62 62 A L H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.914 112.2 45.2 -58.2 -46.6 -20.9 13.0 4.9 63 63 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.846 112.4 51.0 -69.2 -35.9 -18.3 13.5 2.2 64 64 A V H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.884 109.2 52.0 -65.3 -39.9 -21.0 13.6 -0.5 65 65 A T H < S+ 0 0 16 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.875 110.5 48.4 -63.0 -38.8 -22.9 16.2 1.5 66 66 A G H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.882 111.0 49.5 -68.5 -40.1 -19.7 18.3 1.7 67 67 A A H >X S+ 0 0 1 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.773 99.8 66.8 -68.9 -28.7 -19.1 17.9 -2.0 68 68 A Q H 3X S+ 0 0 41 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.617 85.9 72.1 -68.9 -14.1 -22.7 19.0 -2.7 69 69 A Y H <> S+ 0 0 5 -3,-1.0 4,-3.0 -4,-0.3 5,-0.3 0.791 82.6 68.7 -73.4 -29.0 -21.8 22.5 -1.4 70 70 A M H <> S+ 0 0 49 -3,-1.1 4,-1.5 -4,-0.3 -1,-0.2 0.926 107.7 38.8 -51.7 -48.7 -19.7 23.3 -4.4 71 71 A D H X S+ 0 0 3 -4,-0.5 4,-3.3 2,-0.2 5,-0.2 0.953 115.3 51.8 -65.3 -52.5 -23.0 23.3 -6.4 72 72 A L H X S+ 0 0 41 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.832 109.3 49.7 -58.8 -38.4 -25.1 25.0 -3.7 73 73 A I H X S+ 0 0 3 -4,-3.0 4,-0.7 2,-0.2 -1,-0.2 0.909 114.5 45.0 -67.1 -43.1 -22.6 27.9 -3.3 74 74 A R H >< S+ 0 0 89 -4,-1.5 3,-0.8 -5,-0.3 4,-0.5 0.913 113.4 51.1 -62.5 -43.5 -22.5 28.4 -7.1 75 75 A E H 3< S+ 0 0 3 -4,-3.3 3,-0.4 1,-0.2 4,-0.4 0.734 99.3 65.6 -67.5 -24.5 -26.3 28.1 -7.2 76 76 A S H ><>S+ 0 0 0 -4,-1.3 5,-1.6 -5,-0.2 3,-1.1 0.799 86.5 71.7 -68.7 -30.5 -26.7 30.7 -4.4 77 77 A G G X<5S+ 0 0 27 -3,-0.8 3,-1.3 -4,-0.7 -1,-0.2 0.861 93.1 53.4 -53.9 -45.0 -25.3 33.5 -6.6 78 78 A G G 3 5S+ 0 0 30 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.713 105.9 55.2 -64.1 -23.0 -28.4 33.7 -8.8 79 79 A F G < 5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.490 132.2 -87.8 -91.1 -5.7 -30.5 34.1 -5.7 80 80 A G T < 5S+ 0 0 0 -3,-1.3 500,-3.1 -4,-0.5 2,-0.7 0.581 80.7 137.2 114.3 16.6 -28.5 37.1 -4.6 81 81 A W < - 0 0 2 -5,-1.6 2,-0.4 498,-0.2 -1,-0.2 -0.838 32.2-168.9 -99.9 109.8 -25.7 35.7 -2.5 82 82 A E + 0 0 110 -2,-0.7 2,-0.3 496,-0.5 496,-0.1 -0.803 21.3 130.1-105.5 136.9 -22.4 37.5 -3.4 83 83 A M - 0 0 27 -2,-0.4 2,-1.4 494,-0.1 3,-0.1 -0.939 66.3 -55.6-163.9 179.4 -18.9 36.4 -2.3 84 84 A D + 0 0 75 -2,-0.3 -2,-0.0 1,-0.2 489,-0.0 -0.576 51.9 164.8 -72.8 92.6 -15.3 35.6 -3.5 85 85 A R > + 0 0 90 -2,-1.4 3,-1.0 2,-0.1 2,-0.5 0.474 36.7 119.5 -87.2 -2.9 -16.1 33.0 -6.2 86 86 A E T 3 S- 0 0 165 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.537 95.8 -21.6 -69.4 112.8 -12.5 33.6 -7.5 87 87 A S T 3 S- 0 0 89 -2,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.792 85.0-175.7 56.6 36.4 -10.6 30.2 -7.4 88 88 A L < + 0 0 43 -3,-1.0 -1,-0.2 124,-0.1 484,-0.1 -0.507 11.1 162.0 -71.3 105.9 -12.9 28.8 -4.7 89 89 A C - 0 0 45 -2,-0.7 482,-0.4 482,-0.1 2,-0.1 -0.928 31.2-118.6-124.4 151.2 -11.6 25.4 -3.6 90 90 A P - 0 0 21 0, 0.0 2,-0.9 0, 0.0 480,-0.2 -0.390 21.8-108.4 -91.7 166.1 -12.4 23.5 -0.4 91 91 A N > - 0 0 44 478,-2.8 4,-0.7 1,-0.2 3,-0.2 -0.815 30.3-176.3 -95.0 103.4 -10.3 22.2 2.5 92 92 A W H >> S+ 0 0 12 -2,-0.9 4,-2.3 1,-0.2 3,-0.6 0.885 79.0 53.6 -67.1 -42.6 -10.0 18.4 2.2 93 93 A K H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.741 106.5 51.7 -71.4 -23.3 -8.1 17.8 5.4 94 94 A T H 3> S+ 0 0 57 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.649 109.6 51.9 -84.0 -17.3 -10.6 19.6 7.6 95 95 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.912 112.7 51.4 -59.7 -43.4 -16.9 8.1 13.0 104 104 A N H 3X S+ 0 0 61 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.865 105.5 53.6 -61.8 -40.9 -14.8 7.9 16.2 105 105 A S H 3X S+ 0 0 60 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.703 109.5 49.3 -72.3 -19.4 -17.7 9.0 18.4 106 106 A I H S+ 0 0 31 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.873 100.4 48.6 -73.3 -40.8 -23.0 -0.2 24.5 114 114 A F H < S+ 0 0 20 -4,-1.1 -2,-0.2 1,-0.2 6,-0.2 0.840 110.4 50.4 -67.9 -36.2 -21.0 -3.4 25.4 115 115 A A H < S+ 0 0 84 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 114.2 44.5 -71.0 -31.6 -20.2 -2.1 28.9 116 116 A D H < S+ 0 0 134 -4,-0.9 2,-0.5 2,-0.1 -2,-0.2 0.581 102.9 74.6 -90.9 -13.4 -23.9 -1.2 29.5 117 117 A T S < S- 0 0 20 -4,-1.1 3,-0.4 3,-0.2 2,-0.3 -0.909 74.3-141.8-106.9 122.8 -25.4 -4.4 28.1 118 118 A E S S+ 0 0 178 -2,-0.5 3,-0.1 1,-0.2 -87,-0.1 -0.593 87.0 21.8 -80.8 141.8 -25.1 -7.7 30.1 119 119 A G S S+ 0 0 32 -2,-0.3 -88,-1.4 1,-0.2 2,-0.7 0.005 101.4 103.6 89.4 -26.8 -24.4 -10.9 28.2 120 120 A L E +d 31 0B 6 -3,-0.4 2,-0.4 -90,-0.2 -3,-0.2 -0.809 48.0 169.8 -94.4 113.4 -23.0 -8.8 25.3 121 121 A S E -d 32 0B 37 -90,-2.4 -88,-2.7 -2,-0.7 2,-0.4 -0.973 26.3-136.9-129.1 140.6 -19.2 -8.8 25.2 122 122 A F E -d 33 0B 56 -2,-0.4 2,-0.5 -90,-0.2 -88,-0.2 -0.802 14.0-167.5 -99.9 135.2 -16.7 -7.6 22.6 123 123 A H E -d 34 0B 10 -90,-2.7 -88,-1.4 -2,-0.4 2,-0.5 -0.928 11.4-148.3-128.6 105.8 -13.7 -9.7 21.6 124 124 A M E +d 35 0B 103 -2,-0.5 2,-0.3 -90,-0.2 -88,-0.2 -0.614 54.4 60.2 -83.8 123.4 -10.9 -8.0 19.6 125 125 A G S S- 0 0 6 -90,-2.6 2,-0.8 -2,-0.5 14,-0.2 -0.961 91.4 -48.0 156.8-168.6 -9.0 -10.1 17.1 126 126 A F E -G 138 0C 30 12,-2.9 12,-2.3 -2,-0.3 2,-0.2 -0.833 52.0-150.5-102.1 100.5 -9.4 -12.3 14.0 127 127 A G E +G 137 0C 16 -2,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.459 23.8 164.9 -69.6 136.0 -12.3 -14.8 14.5 128 128 A A E -G 136 0C 4 8,-2.2 8,-2.3 -2,-0.2 2,-0.2 -0.964 35.6 -99.5-147.1 158.8 -12.0 -18.1 12.6 129 129 A L E +G 135 0C 0 165,-2.5 6,-0.2 -2,-0.3 169,-0.1 -0.578 31.3 168.8 -88.8 145.1 -13.8 -21.5 12.9 130 130 A Q E S- 0 0 85 4,-2.4 2,-0.2 1,-0.6 5,-0.2 0.694 71.2 -29.4-111.0 -56.4 -12.5 -24.6 14.7 131 131 A D E > S-G 134 0C 67 3,-1.3 3,-0.7 168,-0.1 -1,-0.6 -0.822 81.3 -69.3-148.1-171.5 -15.7 -26.7 14.7 132 132 A A T 3 S+ 0 0 25 -2,-0.2 24,-0.1 1,-0.2 167,-0.1 0.710 133.1 27.1 -58.7 -22.4 -19.5 -26.4 14.8 133 133 A H T 3 S+ 0 0 50 1,-0.1 20,-3.3 22,-0.1 2,-0.4 0.360 109.8 76.1-124.2 1.8 -19.4 -25.1 18.4 134 134 A T E < -GH 131 152C 23 -3,-0.7 -4,-2.4 18,-0.2 -3,-1.3 -0.969 48.5-173.5-128.9 124.7 -15.9 -23.4 18.7 135 135 A V E -GH 129 151C 0 16,-2.3 16,-2.6 -2,-0.4 2,-0.5 -0.969 14.7-152.0-115.1 121.7 -14.7 -20.1 17.4 136 136 A V E -GH 128 150C 4 -8,-2.3 -8,-2.2 -2,-0.5 2,-0.6 -0.806 2.5-152.0 -96.2 129.7 -11.0 -19.3 17.8 137 137 A V E -GH 127 149C 0 12,-2.7 11,-2.2 -2,-0.5 12,-1.6 -0.910 19.1-164.3-102.8 120.6 -9.9 -15.6 18.0 138 138 A R E -GH 126 147C 28 -12,-2.3 -12,-2.9 -2,-0.6 9,-0.2 -0.678 29.8-123.3-108.5 158.5 -6.4 -15.0 16.7 139 139 A K S S+ 0 0 127 7,-2.9 2,-0.2 -2,-0.2 8,-0.1 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117.1 47.7 -70.5 -40.4 -44.3 31.3 9.3 691 202 B E H X S+ 0 0 10 -4,-2.3 4,-1.3 -5,-0.3 3,-0.3 0.938 114.4 43.8 -68.0 -49.3 -43.0 31.0 5.7 692 203 B F H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.796 105.2 62.1 -70.3 -31.0 -42.4 34.7 5.1 693 204 B A H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.877 106.5 48.8 -56.2 -37.3 -40.8 35.1 8.5 694 205 B G H X S+ 0 0 3 -4,-1.0 4,-1.1 -3,-0.3 -2,-0.2 0.852 110.7 49.5 -69.4 -37.5 -38.3 32.6 7.1 695 206 B I H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-0.4 0.952 113.9 43.0 -67.2 -52.9 -37.8 34.5 3.8 696 207 B F H X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.874 110.8 56.5 -62.3 -40.0 -37.2 37.9 5.4 697 208 B N H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.795 110.3 45.7 -60.9 -31.9 -34.9 36.3 8.1 698 209 B G H < S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.805 120.9 38.2 -78.0 -31.5 -32.8 35.0 5.2 699 210 B Y H < S+ 0 0 2 -4,-1.6 -2,-0.2 -121,-0.1 -118,-0.2 0.310 83.0 126.7-107.9 6.9 -32.8 38.2 3.3 700 211 B K < - 0 0 37 -4,-1.1 -22,-0.2 -5,-0.1 3,-0.1 -0.341 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4,-0.4 -0.203 19.8-114.5 -57.2 146.8 -28.9 14.0 11.4 888 399 B L T > S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.806 112.4 62.6 -54.0 -36.8 -25.2 13.0 11.4 889 400 B M T >> S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.738 92.9 64.7 -62.5 -24.6 -24.2 15.7 8.9 890 401 B H H <> S+ 0 0 6 -3,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.617 87.7 67.8 -78.7 -13.1 -25.3 18.4 11.4 891 402 B N H <4 S+ 0 0 75 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.742 112.9 33.3 -69.9 -25.5 -22.5 17.3 13.8 892 403 B I H <4 S+ 0 0 18 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.1 0.801 115.6 55.8 -94.3 -39.8 -20.1 18.7 11.2 893 404 B S H < S- 0 0 8 -4,-2.1 -326,-0.4 -326,-0.1 -3,-0.2 0.786 100.9-126.7 -69.2 -30.7 -22.2 21.6 9.8 894 405 B G S < S+ 0 0 59 -4,-1.4 2,-1.3 -5,-0.1 3,-0.1 0.296 78.1 113.9 100.3 -8.4 -22.7 23.3 13.2 895 406 B S > + 0 0 0 1,-0.2 3,-1.4 -5,-0.1 -2,-0.1 -0.560 28.6 156.1 -92.4 68.8 -26.5 23.4 13.1 896 407 B K T 3 + 0 0 125 -2,-1.3 -1,-0.2 1,-0.3 -5,-0.1 0.441 63.8 70.8 -76.3 0.5 -27.1 21.0 15.9 897 408 B H T 3 + 0 0 59 -3,-0.1 2,-1.7 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4,-0.9 1,-0.2 3,-0.5 0.901 104.3 63.0 -75.3 -42.3 -41.3 12.5 1.7 927 438 B I H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.664 91.9 68.7 -60.5 -19.2 -44.9 13.2 2.7 928 439 B Q H 3> S+ 0 0 0 -4,-0.3 4,-0.7 -3,-0.2 3,-0.3 0.973 105.1 36.7 -64.8 -57.1 -46.0 12.9 -0.9 929 440 B S H S+ 0 0 0 -4,-0.8 5,-1.1 -3,-0.3 -2,-0.2 0.872 112.5 52.7 -65.6 -40.4 -49.9 4.9 1.3 934 445 B M H ><5S+ 0 0 0 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.894 110.1 41.4 -73.5 -44.4 -52.5 6.6 3.4 935 446 B K H 3<5S+ 0 0 61 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.713 111.9 60.2 -74.6 -18.5 -55.4 7.0 1.0 936 447 B M T 3<5S- 0 0 42 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.527 124.6-113.3 -76.7 -11.0 -54.4 3.4 0.0 937 448 B G T < 5 - 0 0 33 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.959 43.6-166.2 77.3 57.3 -55.1 2.6 3.7 938 449 B A < - 0 0 0 -5,-1.1 -25,-2.5 -25,-0.2 2,-0.3 -0.444 8.1-143.3 -79.3 146.9 -51.7 1.8 5.1 939 450 B K B >> -S 912 0P 91 -27,-0.3 3,-1.1 -2,-0.1 4,-0.9 -0.739 25.7-114.8-103.6 156.2 -51.1 0.1 8.4 940 451 B I H 3> S+ 0 0 12 -29,-3.0 4,-1.6 -2,-0.3 5,-0.2 0.767 118.9 60.1 -59.3 -26.3 -48.2 0.7 10.8 941 452 B S H 3> S+ 0 0 53 1,-0.2 4,-1.1 -30,-0.2 -1,-0.3 0.817 97.5 58.0 -69.8 -31.8 -47.1 -2.8 10.1 942 453 B D H <4 S+ 0 0 28 -3,-1.1 -1,-0.2 2,-0.2 4,-0.2 0.780 107.5 50.6 -66.5 -29.2 -46.7 -1.9 6.4 943 454 B F H >< S+ 0 0 0 -4,-0.9 3,-2.2 -3,-0.2 -2,-0.2 0.994 112.4 37.9 -70.2 -70.2 -44.3 0.8 7.4 944 455 B H H 3< S+ 0 0 56 -4,-1.6 -2,-0.2 16,-0.3 -1,-0.1 0.605 109.8 62.8 -67.5 -13.2 -41.8 -1.0 9.7 945 456 B S T 3< S+ 0 0 59 -4,-1.1 2,-0.4 -5,-0.2 -1,-0.3 0.579 84.6 95.8 -83.4 -12.3 -41.8 -4.2 7.6 946 457 B T S < S- 0 0 12 -3,-2.2 2,-0.3 -4,-0.2 -503,-0.1 -0.669 85.1-117.9 -79.8 129.5 -40.4 -2.1 4.7 947 458 B I - 0 0 17 -2,-0.4 -584,-0.4 -589,-0.2 -610,-0.1 -0.531 37.8-120.3 -68.8 129.6 -36.6 -2.3 4.4 948 459 B G - 0 0 12 -2,-0.3 2,-0.6 -612,-0.2 -1,-0.1 -0.105 6.8-122.0 -73.0 165.6 -35.1 1.1 4.8 949 460 B V - 0 0 4 -585,-0.1 6,-0.4 -514,-0.1 3,-0.4 -0.937 42.9-121.0-109.8 109.9 -33.0 3.3 2.5 950 461 B H S 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481 B G T 3 S+ 0 0 41 -95,-0.3 2,-0.4 -94,-0.3 -1,-0.3 0.336 117.4 117.0 86.9 -5.3 -59.9 10.6 24.8 971 482 B K E < -R 968 0O 150 -3,-1.6 -3,-3.3 -99,-0.1 2,-0.5 -0.833 66.8-124.1-104.6 132.6 -57.6 10.1 27.8 972 483 B R E +R 967 0O 120 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.590 37.5 175.8 -75.4 116.1 -53.8 10.1 27.7 973 484 B V E -R 966 0O 40 -7,-2.9 -7,-2.6 -2,-0.5 3,-0.0 -0.962 35.1-143.2-126.8 144.8 -52.4 6.9 29.2 974 485 B E S S+ 0 0 130 -2,-0.4 2,-0.3 -9,-0.2 -1,-0.1 0.852 86.9 9.2 -71.1 -38.2 -48.9 5.5 29.5 975 486 B K S S- 0 0 159 -10,-0.1 2,-0.5 -9,-0.1 -9,-0.1 -0.832 87.5 -88.8-134.4 176.5 -49.9 1.9 28.8 976 487 B L 0 0 68 -2,-0.3 -2,-0.0 1,-0.1 -8,-0.0 -0.784 360.0 360.0 -93.2 126.4 -52.9 -0.1 27.7 977 488 B S 0 0 139 -2,-0.5 -1,-0.1 0, 0.0 -4,-0.0 -0.140 360.0 360.0 -58.2 360.0 -55.2 -1.3 30.5