==== 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 06-DEC-04 2BFA . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.W.SCHUETTELKOPF,W.N.HUNTER . 1043 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 775 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 13.2 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 . 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 . 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 . 77 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 0 2 0 0 8 1 4 6 5 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 12 4 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 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 0 123 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 115.1 8.7 31.2 34.4 2 7 A P - 0 0 44 0, 0.0 25,-2.8 0, 0.0 2,-0.4 -0.307 360.0-132.6 -72.4 156.3 9.7 31.4 38.1 3 8 A V E -a 27 0A 0 23,-0.2 91,-2.3 25,-0.1 90,-1.7 -0.906 14.5-164.3-114.7 137.7 8.5 28.8 40.7 4 9 A A E -ab 28 94A 0 23,-2.6 25,-3.0 -2,-0.4 2,-0.6 -0.969 7.8-153.4-121.2 131.4 7.0 29.5 44.1 5 10 A L E -ab 29 95A 0 89,-3.6 91,-3.0 -2,-0.4 2,-0.5 -0.928 15.7-174.4-102.9 119.3 6.7 26.9 46.9 6 11 A V E > -ab 30 96A 0 23,-2.4 25,-2.7 -2,-0.6 3,-0.6 -0.954 12.2-149.1-118.8 114.2 3.8 27.7 49.3 7 12 A T T 3 S+ 0 0 2 89,-2.2 91,-0.3 -2,-0.5 25,-0.1 -0.567 83.1 12.6 -81.4 145.4 3.3 25.5 52.4 8 13 A G T 3 S+ 0 0 24 -2,-0.2 6,-0.3 90,-0.2 3,-0.3 0.946 82.1 152.0 53.8 51.2 -0.2 25.1 53.7 9 14 A A < + 0 0 0 22,-2.5 9,-0.2 -3,-0.6 23,-0.2 0.508 37.3 95.2 -91.0 -2.9 -1.5 26.6 50.4 10 15 A A S S- 0 0 7 21,-0.6 2,-0.2 4,-0.1 -1,-0.2 0.857 92.3 -5.8 -60.2 -46.5 -4.9 24.8 50.4 11 16 A K S >> S+ 0 0 101 -3,-0.3 4,-1.8 4,-0.0 3,-0.9 -0.740 104.2 11.0-140.0-175.5 -7.1 27.4 52.0 12 17 A R H 3> S- 0 0 127 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 -0.016 123.2 -5.1 46.0-129.3 -7.3 30.8 53.7 13 18 A L H 3> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.844 135.0 56.6 -63.6 -37.4 -4.1 33.0 53.5 14 19 A G H <> S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.3 -2,-0.2 0.920 109.1 45.7 -59.6 -45.8 -2.0 30.2 51.9 15 20 A R H X S+ 0 0 120 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.913 112.9 50.8 -62.5 -43.5 -4.5 30.0 49.0 16 21 A S H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.868 110.9 48.2 -63.9 -39.1 -4.5 33.7 48.7 17 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.928 113.3 47.8 -67.0 -43.8 -0.8 33.9 48.6 18 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.940 113.6 46.8 -62.3 -47.3 -0.6 31.1 46.0 19 24 A E H X S+ 0 0 59 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.916 111.8 53.0 -60.0 -43.4 -3.3 32.8 43.9 20 25 A G H X S+ 0 0 13 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.921 112.7 42.0 -57.5 -49.7 -1.5 36.1 44.2 21 26 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.0 2,-0.2 3,-0.8 0.886 112.7 54.2 -66.4 -40.9 1.9 34.7 43.1 22 27 A H H ><5S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.918 104.2 55.2 -59.9 -41.2 0.2 32.8 40.3 23 28 A A H 3<5S+ 0 0 72 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.726 103.6 57.0 -63.3 -22.4 -1.5 36.0 39.1 24 29 A E T <<5S- 0 0 114 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.422 130.4 -93.7 -88.9 -1.1 2.1 37.4 38.9 25 30 A G T < 5S+ 0 0 27 -3,-2.0 -3,-0.2 1,-0.3 2,-0.1 0.349 78.3 140.8 107.7 -3.7 3.2 34.7 36.5 26 31 A Y < - 0 0 23 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.441 51.2-132.3 -72.9 140.8 4.6 32.2 39.0 27 32 A A E -a 3 0A 2 -25,-2.8 -23,-2.6 -2,-0.1 2,-0.5 -0.744 35.6-142.4 -81.8 141.0 4.2 28.4 38.6 28 33 A V E -ac 4 54A 0 25,-2.6 27,-1.7 -2,-0.4 2,-0.8 -0.937 19.8-155.1-123.0 127.0 3.1 27.3 42.1 29 34 A C E -ac 5 55A 0 -25,-3.0 -23,-2.4 -2,-0.5 2,-0.8 -0.833 22.7-153.1 -92.7 108.5 3.8 24.2 44.1 30 35 A L E -ac 6 56A 0 25,-3.3 27,-2.1 -2,-0.8 2,-0.3 -0.741 8.7-161.5 -88.9 110.2 0.9 23.9 46.5 31 36 A H E + c 0 57A 4 -25,-2.7 -22,-2.5 -2,-0.8 -21,-0.6 -0.652 16.3 165.2 -90.5 147.5 1.8 22.1 49.7 32 37 A Y E - c 0 58A 35 25,-2.1 27,-2.1 -2,-0.3 4,-0.1 -0.982 26.8-167.9-154.1 159.2 -0.8 20.6 52.0 33 38 A H S S- 0 0 57 -2,-0.3 3,-0.1 25,-0.2 -1,-0.1 0.707 88.7 -2.5-111.2 -67.6 -1.1 18.1 54.9 34 39 A R S S+ 0 0 207 1,-0.2 2,-1.5 25,-0.1 3,-0.3 0.701 113.5 80.5-102.3 -23.0 -4.8 17.2 55.5 35 40 A S > + 0 0 24 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.367 44.4 145.9 -89.2 63.3 -6.6 19.3 52.9 36 41 A A H > S+ 0 0 36 -2,-1.5 4,-3.0 1,-0.2 5,-0.3 0.947 71.5 51.9 -61.0 -48.7 -6.1 17.3 49.7 37 42 A A H > S+ 0 0 74 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.908 112.7 43.8 -56.1 -49.3 -9.5 18.2 48.3 38 43 A E H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 114.9 49.7 -63.6 -42.5 -9.0 21.9 48.6 39 44 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.2 46.3 -63.3 -47.3 -5.5 21.8 47.4 40 45 A N H X S+ 0 0 75 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.850 110.5 53.6 -65.8 -35.2 -6.3 19.7 44.3 41 46 A A H X S+ 0 0 58 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.873 111.0 47.0 -66.1 -36.9 -9.3 22.0 43.5 42 47 A L H X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.914 110.6 51.0 -70.2 -43.6 -6.9 25.0 43.7 43 48 A S H X S+ 0 0 14 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.930 110.3 51.3 -57.1 -45.4 -4.3 23.2 41.4 44 49 A A H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.921 110.0 48.3 -57.9 -48.3 -7.1 22.5 38.9 45 50 A T H X S+ 0 0 61 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.941 115.5 43.8 -58.7 -50.6 -8.2 26.1 38.9 46 51 A L H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.893 114.1 50.0 -63.4 -40.9 -4.7 27.4 38.4 47 52 A N H < S+ 0 0 43 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 110.1 50.1 -66.9 -36.7 -3.9 24.8 35.8 48 53 A A H < S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.3 49.6 -66.8 -38.5 -7.0 25.5 33.8 49 54 A R H < S+ 0 0 157 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.794 136.6 3.2 -69.2 -30.3 -6.1 29.2 33.9 50 55 A R S >< S- 0 0 79 -4,-1.6 3,-0.8 -5,-0.1 -1,-0.3 -0.823 87.7-116.8-160.9 109.6 -2.6 28.4 32.7 51 56 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.185 94.5 6.3 -52.1 141.1 -1.5 24.8 31.8 52 57 A N T 3 S+ 0 0 95 2,-0.1 -5,-0.1 1,-0.1 3,-0.1 0.855 91.6 121.1 52.3 44.4 1.3 23.3 34.0 53 58 A S < + 0 0 3 -3,-0.8 -25,-2.6 -10,-0.2 2,-0.3 0.243 67.8 37.7-117.4 11.6 1.3 26.2 36.4 54 59 A A E +c 28 0A 3 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.978 51.9 172.0-164.0 143.6 0.5 24.3 39.6 55 60 A I E -c 29 0A 30 -27,-1.7 -25,-3.3 -2,-0.3 2,-0.4 -0.934 23.6-128.9-144.6 163.8 1.1 21.0 41.4 56 61 A T E -c 30 0A 42 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.955 16.8-175.0-120.9 143.5 0.3 19.6 44.8 57 62 A V E -c 31 0A 29 -27,-2.1 -25,-2.1 -2,-0.4 2,-0.4 -0.999 14.3-146.4-135.3 132.8 2.6 18.0 47.4 58 63 A Q E +c 32 0A 92 -2,-0.4 2,-0.2 -27,-0.2 -25,-0.2 -0.810 29.2 151.9-100.0 140.9 1.5 16.4 50.7 59 64 A A - 0 0 5 -27,-2.1 2,-0.6 -2,-0.4 -25,-0.1 -0.824 42.7-131.4-170.7 131.4 3.6 16.5 53.8 60 65 A D - 0 0 35 -2,-0.2 4,-0.2 1,-0.1 17,-0.1 -0.755 19.9-168.0 -80.6 120.0 3.3 16.5 57.5 61 66 A L + 0 0 9 -2,-0.6 68,-0.4 2,-0.1 -1,-0.1 0.254 46.4 120.6 -96.8 12.0 5.5 19.3 58.7 62 67 A S S S- 0 0 7 62,-0.2 2,-2.4 1,-0.1 59,-0.3 -0.447 81.0-104.9 -71.1 149.0 5.4 18.3 62.3 63 68 A N S S+ 0 0 49 57,-2.5 2,-0.3 54,-0.1 -1,-0.1 -0.395 85.3 105.4 -76.2 64.0 8.8 17.5 63.9 64 69 A V S S- 0 0 57 -2,-2.4 2,-0.3 -4,-0.2 -4,-0.0 -0.947 73.4-108.1-139.0 155.6 8.3 13.7 63.8 65 70 A A - 0 0 58 -2,-0.3 2,-0.3 8,-0.1 8,-0.3 -0.646 35.9-153.8 -82.1 143.7 9.5 10.8 61.7 66 71 A T B -G 72 0B 41 6,-3.6 6,-4.0 -2,-0.3 11,-0.0 -0.786 23.5 -92.8-115.2 164.2 7.0 9.2 59.3 67 72 A A 0 0 86 -2,-0.3 -1,-0.0 4,-0.2 0, 0.0 -0.438 360.0 360.0 -71.3 147.3 6.7 5.8 57.8 68 73 A P 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.347 360.0 360.0 -61.2 360.0 8.3 5.2 54.4 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 0, 0.0 0.000 360.0 360.0 360.0 129.1 13.6 3.2 57.5 71 82 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.439 360.0-122.5 -67.7 144.5 11.5 6.0 59.1 72 83 A V B -G 66 0B 31 -6,-4.0 -6,-3.6 -2,-0.1 2,-0.1 -0.803 24.9-142.5 -93.8 127.5 11.4 9.3 57.1 73 84 A T > - 0 0 13 -2,-0.5 4,-2.2 -8,-0.3 5,-0.2 -0.361 22.9-110.6 -85.3 165.6 12.5 12.4 59.0 74 85 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.876 117.3 55.2 -61.8 -38.4 11.1 15.9 58.8 75 86 A F H > S+ 0 0 55 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.961 108.0 47.4 -61.0 -52.1 14.3 17.2 57.1 76 87 A T H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 111.9 51.2 -52.6 -48.4 14.0 14.6 54.3 77 88 A R H X S+ 0 0 16 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.879 112.4 46.5 -59.1 -36.8 10.3 15.5 53.9 78 89 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.900 111.0 51.5 -72.1 -40.7 11.3 19.2 53.6 79 90 A A H X S+ 0 0 33 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.875 109.2 51.0 -63.1 -36.7 14.1 18.4 51.2 80 91 A E H X S+ 0 0 116 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.820 104.7 58.0 -70.1 -31.8 11.6 16.4 49.0 81 92 A L H X S+ 0 0 2 -4,-1.3 4,-0.8 -5,-0.2 -2,-0.2 0.949 112.6 38.9 -61.2 -50.1 9.2 19.4 49.1 82 93 A V H >X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 3,-1.0 0.920 114.3 55.3 -67.7 -41.0 11.9 21.6 47.6 83 94 A A H 3X S+ 0 0 26 -4,-2.6 4,-3.3 1,-0.3 5,-0.3 0.891 96.7 64.3 -57.9 -43.3 13.1 18.9 45.3 84 95 A A H 3X S+ 0 0 25 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.838 101.6 52.5 -49.8 -34.9 9.6 18.4 43.9 85 96 A C H S+ 0 0 0 -3,-1.0 4,-2.9 -4,-0.8 6,-0.8 0.942 112.4 42.1 -68.3 -47.5 9.9 21.9 42.5 86 97 A Y H X5S+ 0 0 22 -4,-1.3 4,-1.4 4,-0.3 -2,-0.2 0.877 112.9 54.2 -68.0 -38.9 13.2 21.2 40.7 87 98 A T H <5S+ 0 0 125 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 119.5 32.9 -62.3 -37.8 12.0 17.8 39.5 88 99 A H H <5S+ 0 0 87 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.854 140.7 10.1 -90.1 -39.8 8.9 19.3 37.9 89 100 A W H <5S- 0 0 48 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.391 92.7-119.2-122.1 -2.8 10.0 22.8 36.7 90 101 A G S < 0 0 142 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -57.4 -1.9 13.4 78.3 112 133 A R H > + 0 0 137 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.878 360.0 44.0 -56.0 -41.0 1.6 12.2 77.5 113 134 A E H > S+ 0 0 129 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.948 108.0 56.2 -70.4 -50.4 0.7 12.1 73.8 114 135 A A H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.788 113.3 41.4 -54.2 -33.1 -1.2 15.4 73.5 115 136 A M H X S+ 0 0 38 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.887 116.7 44.4 -84.0 -45.3 1.8 17.3 74.9 116 137 A E H X S+ 0 0 82 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.872 117.9 48.1 -64.6 -36.9 4.6 15.6 73.0 117 138 A T H X S+ 0 0 73 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.862 109.8 51.4 -71.8 -38.3 2.5 15.7 69.9 118 139 A A H X S+ 0 0 8 -4,-1.2 4,-3.6 -5,-0.3 5,-0.4 0.922 109.4 50.5 -65.4 -43.9 1.7 19.4 70.4 119 140 A T H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.953 114.6 42.2 -59.0 -53.0 5.4 20.4 70.8 120 141 A A H X S+ 0 0 14 -4,-1.9 -57,-2.5 3,-0.2 4,-1.7 0.885 120.7 44.1 -63.1 -38.4 6.4 18.6 67.6 121 142 A D H X S+ 0 0 32 -4,-2.2 4,-2.1 -59,-0.3 5,-0.4 0.971 118.1 40.1 -72.1 -55.1 3.4 19.8 65.7 122 143 A L H X S+ 0 0 0 -4,-3.6 4,-1.3 1,-0.2 -21,-0.2 0.906 124.2 39.5 -63.6 -42.0 3.4 23.4 66.9 123 144 A F H X>S+ 0 0 4 -4,-2.6 5,-2.6 -5,-0.4 4,-1.6 0.812 114.7 54.1 -78.2 -30.1 7.2 23.8 66.7 124 145 A G H <>S+ 0 0 0 -4,-1.7 5,-3.3 -5,-0.4 -62,-0.2 0.976 114.0 36.3 -67.7 -56.6 7.5 21.7 63.5 125 146 A S H <5S+ 0 0 9 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.1 0.880 125.1 40.6 -65.5 -39.3 5.1 23.6 61.2 126 147 A N H <5S- 0 0 1 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.752 136.2 -4.8 -84.8 -27.7 6.0 27.0 62.6 127 148 A A T X5S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -3,-0.2 0.652 124.0 48.1-132.4 -60.1 9.7 26.9 63.1 128 149 A I H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.910 109.5 51.0 -50.6 -44.3 10.7 26.4 57.8 131 152 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.961 114.1 41.6 -58.7 -53.9 14.3 26.0 58.9 132 153 A F H X S+ 0 0 5 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.881 114.6 52.9 -61.7 -40.8 14.8 22.7 57.0 133 154 A L H X S+ 0 0 1 -4,-3.6 4,-2.9 -5,-0.2 -2,-0.2 0.946 110.6 46.6 -60.9 -45.3 12.9 24.1 54.0 134 155 A I H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.934 112.5 51.1 -61.3 -45.5 15.1 27.2 53.9 135 156 A K H X S+ 0 0 11 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.948 113.1 44.3 -55.4 -52.6 18.2 25.0 54.2 136 157 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14.2-143.1-134.4 135.8 20.7 17.0 90.1 326 63 B Q E +l 300 0E 93 -2,-0.4 2,-0.2 -27,-0.2 -25,-0.2 -0.779 30.8 151.3 -98.4 143.0 21.8 15.6 86.7 327 64 B A - 0 0 5 -27,-2.0 2,-0.6 -2,-0.3 -25,-0.1 -0.815 43.0-130.5-173.4 129.1 19.6 15.8 83.6 328 65 B D - 0 0 39 -2,-0.2 4,-0.2 1,-0.1 17,-0.1 -0.757 20.3-167.4 -79.3 119.2 19.9 16.0 79.9 329 66 B L + 0 0 8 -2,-0.6 69,-0.4 2,-0.1 -1,-0.1 0.248 46.5 121.3 -95.0 12.0 17.7 18.9 78.8 330 67 B S S S- 0 0 6 63,-0.2 2,-2.6 1,-0.1 60,-0.3 -0.438 81.1-104.9 -71.5 148.0 17.8 18.0 75.2 331 68 B N S S+ 0 0 54 58,-2.4 2,-0.3 57,-0.1 -1,-0.1 -0.373 86.1 103.8 -74.0 63.1 14.4 17.2 73.6 332 69 B V S S- 0 0 58 -2,-2.6 2,-0.3 -4,-0.2 -4,-0.0 -0.946 73.0-107.3-138.7 160.5 15.0 13.5 73.5 333 70 B A - 0 0 59 -2,-0.3 8,-0.2 8,-0.1 2,-0.2 -0.643 37.3-154.5 -87.1 146.4 13.8 10.4 75.5 334 71 B T B -P 340 0F 42 6,-2.9 6,-2.2 -2,-0.3 -1,-0.0 -0.614 25.1 -79.6-116.2 178.0 16.3 8.7 77.8 335 72 B A 0 0 87 4,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.552 360.0 360.0 -76.9 137.5 17.0 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