==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-DEC-04 2BFM . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.W.SCHUETTELKOPF,W.N.HUNTER . 1042 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 748 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 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 . 60 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 0 0 0 0 2 0 0 4 4 2 6 0 8 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 12 6 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 6 A V 0 0 128 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 102.8 9.2 31.4 34.8 2 7 A P - 0 0 42 0, 0.0 25,-2.9 0, 0.0 2,-0.4 -0.319 360.0-138.1 -72.1 150.2 9.8 31.8 38.5 3 8 A V E -a 27 0A 0 23,-0.2 91,-2.5 25,-0.1 90,-1.8 -0.867 14.0-168.5-112.4 140.4 8.7 29.3 41.1 4 9 A A E -ab 28 94A 0 23,-2.5 25,-2.9 -2,-0.4 2,-0.5 -0.989 9.0-156.0-127.8 133.8 7.2 29.8 44.5 5 10 A L E -ab 29 95A 0 89,-2.9 91,-2.4 -2,-0.4 2,-0.6 -0.945 13.6-173.3-106.7 119.8 6.7 27.2 47.3 6 11 A V E > -ab 30 96A 0 23,-2.3 25,-2.1 -2,-0.5 3,-0.7 -0.931 12.8-147.7-117.8 110.9 3.9 28.1 49.7 7 12 A T T 3 S+ 0 0 2 89,-2.1 91,-0.3 -2,-0.6 25,-0.1 -0.538 84.3 15.5 -77.6 144.4 3.4 25.9 52.8 8 13 A G T 3 S+ 0 0 23 -2,-0.2 3,-0.4 90,-0.2 6,-0.3 0.928 81.8 152.4 59.5 46.7 -0.2 25.6 54.1 9 14 A A < + 0 0 0 22,-2.1 23,-0.1 -3,-0.7 9,-0.1 0.483 36.3 96.2 -86.1 -4.8 -1.4 27.0 50.8 10 15 A A S S- 0 0 8 21,-0.6 2,-0.3 4,-0.1 -1,-0.2 0.805 91.3 -10.1 -60.1 -38.1 -4.8 25.2 50.7 11 16 A K S >> S+ 0 0 101 -3,-0.4 4,-1.3 31,-0.0 3,-0.9 -0.867 103.1 13.8-150.8-179.2 -7.0 28.0 52.2 12 17 A R H 3> S- 0 0 111 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.112 123.4 -4.9 49.2-130.0 -7.3 31.4 53.9 13 18 A L H 3> S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 135.6 56.1 -64.4 -38.1 -4.1 33.4 53.8 14 19 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -6,-0.3 -1,-0.2 0.859 110.1 45.8 -60.5 -38.2 -2.0 30.6 52.3 15 20 A R H X S+ 0 0 92 -4,-1.3 4,-3.1 -3,-0.3 5,-0.2 0.907 111.8 50.4 -69.6 -46.7 -4.4 30.5 49.3 16 21 A S H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.848 111.6 49.6 -59.8 -36.9 -4.5 34.2 48.9 17 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 112.5 46.5 -68.5 -47.8 -0.7 34.3 48.9 18 23 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.913 114.3 47.4 -60.2 -45.2 -0.5 31.5 46.3 19 24 A E H X S+ 0 0 59 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.892 111.5 52.5 -62.7 -40.2 -3.2 33.2 44.2 20 25 A G H < S+ 0 0 12 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.909 111.8 43.7 -62.7 -45.5 -1.3 36.5 44.5 21 26 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.1 0.888 111.1 55.6 -67.5 -39.9 2.0 35.1 43.4 22 27 A H H ><5S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.880 102.5 56.1 -59.9 -39.9 0.3 33.2 40.6 23 28 A A T 3<5S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.645 102.7 56.7 -68.1 -16.3 -1.2 36.5 39.3 24 29 A E T < 5S- 0 0 123 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.391 130.6 -93.4 -92.8 -1.0 2.4 37.9 39.1 25 30 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 1,-0.3 2,-0.1 0.433 77.1 144.5 106.0 2.0 3.4 35.0 36.8 26 31 A Y < - 0 0 22 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.437 48.9-132.1 -75.5 143.0 4.8 32.6 39.3 27 32 A A E -a 3 0A 3 -25,-2.9 -23,-2.5 -2,-0.1 2,-0.5 -0.775 34.9-143.7 -85.3 139.3 4.4 28.8 39.0 28 33 A V E -ac 4 54A 0 25,-2.6 27,-1.7 -2,-0.4 2,-0.9 -0.929 21.4-158.0-124.3 125.1 3.2 27.6 42.4 29 34 A C E -ac 5 55A 0 -25,-2.9 -23,-2.3 -2,-0.5 2,-0.7 -0.834 22.3-156.9 -91.5 105.6 3.9 24.5 44.6 30 35 A L E -ac 6 56A 0 25,-2.6 27,-1.7 -2,-0.9 2,-0.3 -0.774 7.6-161.7 -88.8 112.8 0.9 24.3 46.9 31 36 A H E + c 0 57A 3 -25,-2.1 -22,-2.1 -2,-0.7 -21,-0.6 -0.716 13.8 171.9 -94.9 148.6 1.8 22.4 50.0 32 37 A Y E - c 0 58A 37 25,-2.2 27,-2.2 -2,-0.3 4,-0.1 -0.960 25.9-166.4-147.6 162.8 -0.9 20.9 52.3 33 38 A H S S- 0 0 55 -2,-0.3 -1,-0.1 25,-0.2 3,-0.1 0.687 88.7 -8.5-110.9 -72.5 -1.2 18.6 55.3 34 39 A R S S+ 0 0 197 1,-0.1 2,-2.4 25,-0.1 3,-0.3 0.748 112.5 85.5-100.5 -30.8 -4.9 17.6 55.8 35 40 A S > + 0 0 24 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.310 45.4 145.2 -76.0 62.0 -6.7 19.9 53.2 36 41 A A H > + 0 0 36 -2,-2.4 4,-2.5 2,-0.2 5,-0.2 0.923 69.6 49.4 -63.5 -48.4 -6.3 17.6 50.2 37 42 A A H > S+ 0 0 75 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.922 114.2 44.1 -58.3 -50.4 -9.6 18.5 48.6 38 43 A E H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 113.2 51.7 -63.4 -42.5 -9.2 22.3 48.9 39 44 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 111.4 46.5 -60.7 -48.2 -5.6 22.1 47.7 40 45 A N H X S+ 0 0 78 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.830 110.6 53.4 -63.9 -34.6 -6.5 20.1 44.6 41 46 A A H X S+ 0 0 53 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.870 110.3 47.7 -68.1 -37.8 -9.4 22.5 43.8 42 47 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.882 109.6 52.3 -69.9 -39.4 -7.0 25.4 44.0 43 48 A S H X S+ 0 0 14 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.918 107.5 53.5 -60.6 -44.5 -4.5 23.7 41.7 44 49 A A H X S+ 0 0 60 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.909 108.8 47.8 -56.2 -50.4 -7.2 23.0 39.1 45 50 A T H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.907 115.7 44.5 -58.5 -47.1 -8.2 26.7 39.0 46 51 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.921 113.8 48.5 -66.2 -45.9 -4.6 27.9 38.6 47 52 A N H < S+ 0 0 47 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.738 110.0 54.7 -65.4 -24.1 -3.8 25.2 36.0 48 53 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.883 110.1 44.4 -75.7 -40.6 -6.9 26.2 34.1 49 54 A R H < S+ 0 0 148 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.829 136.5 10.9 -68.3 -36.4 -5.9 29.9 34.0 50 55 A R S >< S- 0 0 77 -4,-2.0 3,-1.2 -5,-0.1 -1,-0.3 -0.885 87.4-121.2-149.5 108.9 -2.4 28.9 33.0 51 56 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.238 93.6 6.7 -52.2 137.7 -1.4 25.3 32.0 52 57 A N T 3 S+ 0 0 92 2,-0.1 -5,-0.1 -5,-0.1 3,-0.1 0.776 90.1 121.7 57.4 36.4 1.3 23.8 34.2 53 58 A S < + 0 0 3 -3,-1.2 -25,-2.6 -10,-0.2 2,-0.3 0.290 67.1 42.1-108.0 11.2 1.4 26.6 36.7 54 59 A A E +c 28 0A 5 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.984 49.8 172.4-159.2 142.7 0.6 24.6 39.9 55 60 A I E -c 29 0A 30 -27,-1.7 -25,-2.6 -2,-0.3 2,-0.4 -0.908 23.8-131.7-140.2 165.9 1.3 21.3 41.7 56 61 A T E -c 30 0A 42 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.992 17.6-175.5-129.3 127.9 0.3 19.9 45.1 57 62 A V E -c 31 0A 32 -27,-1.7 -25,-2.2 -2,-0.4 2,-0.4 -0.967 15.2-143.5-121.3 134.0 2.6 18.2 47.7 58 63 A Q E +c 32 0A 95 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.790 29.8 152.1-100.6 138.4 1.5 16.7 51.0 59 64 A A - 0 0 5 -27,-2.2 2,-0.7 -2,-0.4 -25,-0.1 -0.911 42.3-134.9-168.8 138.1 3.5 16.8 54.3 60 65 A D - 0 0 32 -2,-0.3 4,-0.2 1,-0.1 17,-0.1 -0.862 18.9-169.8 -90.5 117.5 3.3 16.8 58.0 61 66 A L + 0 0 9 -2,-0.7 69,-0.4 2,-0.1 -1,-0.1 0.269 45.3 123.4 -94.1 10.4 5.6 19.6 59.2 62 67 A S S S- 0 0 9 63,-0.2 2,-2.5 1,-0.1 60,-0.2 -0.431 80.1-104.8 -69.6 145.6 5.3 18.5 62.8 63 68 A N S S+ 0 0 50 58,-2.4 2,-0.3 55,-0.1 -1,-0.1 -0.337 86.5 102.2 -72.5 62.0 8.7 17.7 64.5 64 69 A V S S- 0 0 63 -2,-2.5 2,-0.3 -4,-0.2 -4,-0.1 -0.930 75.2-104.0-139.4 159.3 8.1 13.9 64.3 65 70 A A - 0 0 61 -2,-0.3 8,-0.3 8,-0.1 2,-0.2 -0.663 36.5-138.5 -84.7 141.9 9.4 11.0 62.2 66 71 A T B -G 72 0B 44 6,-3.6 6,-3.4 -2,-0.3 -1,-0.0 -0.701 29.8 -76.3-101.5 160.7 6.9 9.6 59.6 67 72 A A 0 0 83 -2,-0.2 -1,-0.1 4,-0.2 0, 0.0 -0.034 360.0 360.0 -50.4 140.2 6.2 5.9 58.5 68 73 A P 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 360.0 360.0 -29.7 360.0 8.5 3.9 56.3 69 ! 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 70 81 A A 0 0 107 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 146.9 12.7 2.8 58.3 71 82 A P - 0 0 100 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.486 360.0-131.7 -83.8 149.7 11.3 6.2 59.6 72 83 A V B -G 66 0B 36 -6,-3.4 -6,-3.6 -2,-0.1 -8,-0.1 -0.876 22.1-140.1-101.8 124.1 11.3 9.5 57.7 73 84 A T > - 0 0 42 -2,-0.5 4,-2.1 -8,-0.3 5,-0.1 -0.279 22.5-111.5 -78.1 164.5 12.6 12.6 59.6 74 85 A L H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.883 118.0 55.8 -62.0 -39.4 11.1 16.1 59.5 75 86 A F H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 106.9 48.2 -57.5 -51.4 14.3 17.3 57.8 76 87 A T H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.938 110.6 51.6 -54.7 -51.0 14.0 14.8 54.9 77 88 A R H X S+ 0 0 14 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.842 111.3 48.6 -54.9 -37.2 10.3 15.7 54.5 78 89 A C H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.873 109.2 50.8 -72.4 -41.4 11.3 19.4 54.2 79 90 A A H X S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.891 106.9 56.6 -61.7 -38.6 14.1 18.7 51.7 80 91 A E H X S+ 0 0 117 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.795 102.1 55.6 -62.9 -33.0 11.5 16.7 49.6 81 92 A L H X S+ 0 0 2 -4,-1.0 4,-0.6 2,-0.2 -1,-0.2 0.910 112.0 41.6 -65.8 -43.2 9.2 19.8 49.4 82 93 A V H >X S+ 0 0 1 -4,-1.4 4,-1.3 1,-0.2 3,-1.2 0.921 112.4 55.8 -70.5 -42.7 12.0 21.9 47.9 83 94 A A H 3X S+ 0 0 32 -4,-2.7 4,-3.0 1,-0.3 5,-0.2 0.847 97.7 62.3 -55.5 -40.6 13.1 19.1 45.7 84 95 A A H 3X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.780 102.3 52.5 -58.6 -28.8 9.6 18.8 44.2 85 96 A C H S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.434 85.3 74.5 -67.1 1.6 1.0 12.7 77.6 114 134 A E H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.966 95.4 42.9 -75.1 -62.2 -0.3 12.5 74.0 115 135 A A H 4 S+ 0 0 87 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.432 119.3 56.2 -63.5 5.4 -1.9 16.0 74.1 116 136 A M H > S+ 0 0 26 -4,-0.2 4,-1.2 3,-0.1 -2,-0.2 0.863 114.3 24.6-100.0 -70.9 1.5 16.8 75.8 117 137 A E H X S+ 0 0 117 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.806 121.5 56.8 -70.8 -30.4 4.4 15.7 73.6 118 138 A T H X S+ 0 0 73 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.821 102.8 53.7 -74.0 -30.2 2.4 16.0 70.4 119 139 A A H > S+ 0 0 9 -5,-0.4 4,-3.0 2,-0.2 5,-0.4 0.934 107.9 50.4 -68.2 -46.2 1.4 19.7 70.9 120 140 A T H X S+ 0 0 9 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.953 115.0 41.8 -55.9 -54.1 5.1 20.8 71.4 121 141 A A H X S+ 0 0 14 -4,-1.7 -58,-2.4 2,-0.2 4,-1.6 0.849 117.5 48.0 -66.2 -34.6 6.3 19.1 68.3 122 142 A D H X S+ 0 0 40 -4,-1.9 4,-2.2 -60,-0.2 5,-0.3 0.970 118.5 37.3 -69.1 -55.5 3.3 20.2 66.2 123 143 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -22,-0.2 0.915 123.5 42.3 -64.4 -44.9 3.3 23.8 67.2 124 144 A F H X>S+ 0 0 5 -4,-2.8 5,-2.5 -5,-0.4 4,-1.1 0.809 116.9 47.4 -74.4 -30.1 7.1 24.1 67.3 125 145 A G H <>S+ 0 0 0 -4,-1.6 5,-2.9 -5,-0.3 -2,-0.2 0.939 115.4 41.6 -75.8 -50.5 7.7 22.2 64.1 126 146 A S H <5S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.907 124.5 37.3 -63.5 -43.5 5.1 23.8 61.9 127 147 A N H <5S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.648 138.1 -4.4 -86.3 -17.7 5.9 27.3 63.2 128 148 A A T X5S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.1 -3,-0.2 0.590 122.3 49.3-142.3 -59.5 9.7 27.1 63.6 129 149 A I H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.893 109.7 52.1 -49.9 -42.2 10.7 26.7 58.4 132 152 A Y H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.957 112.5 42.3 -59.2 -53.7 14.4 26.3 59.5 133 153 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.863 113.2 53.8 -62.2 -38.7 14.9 23.1 57.6 134 154 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.920 109.2 48.5 -63.4 -42.8 13.0 24.4 54.6 135 155 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.945 111.4 49.2 -62.7 -49.1 15.3 27.5 54.5 136 156 A K H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 114.0 46.5 -52.9 -50.3 18.5 25.3 54.8 137 157 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.930 113.3 49.2 -59.6 -46.6 17.2 23.1 51.9 138 158 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.926 113.8 45.9 -57.9 -46.7 16.3 26.2 49.9 139 159 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.854 109.0 55.5 -67.2 -37.0 19.7 27.8 50.5 140 160 A H H X S+ 0 0 59 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.922 108.2 47.5 -61.5 -47.2 21.5 24.5 49.7 141 161 A R H X S+ 0 0 106 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.890 113.0 48.3 -63.4 -42.6 19.9 24.3 46.2 142 162 A V H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.950 113.0 48.8 -60.5 -50.0 20.6 27.9 45.4 143 163 A A H 3< S+ 0 0 44 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.825 110.2 51.5 -58.3 -37.0 24.3 27.4 46.5 144 164 A G H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.662 90.8 91.6 -76.1 -19.8 24.6 24.2 44.4 145 165 A T S << S- 0 0 26 -4,-1.0 5,-0.1 -3,-0.9 2,-0.1 -0.657 90.6-108.9 -77.8 127.4 23.3 26.0 41.3 146 166 A P > - 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