==== 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 2BF7 . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.W.SCHUETTELKOPF,W.N.HUNTER . 1036 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 752 72.6 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 . 66 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 36.3 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 1 1 0 0 8 1 6 5 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 132 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 102.5 8.5 31.6 34.5 2 7 A P - 0 0 45 0, 0.0 25,-2.8 0, 0.0 2,-0.4 -0.235 360.0-129.2 -72.5 159.6 9.6 31.7 38.2 3 8 A V E -a 27 0A 1 23,-0.2 91,-2.3 25,-0.0 90,-1.6 -0.912 16.2-167.0-118.4 137.0 8.5 29.2 40.9 4 9 A A E -ab 28 94A 0 23,-2.9 25,-3.0 -2,-0.4 2,-0.6 -0.969 8.4-155.9-121.9 136.1 7.0 29.7 44.4 5 10 A L E -ab 29 95A 0 89,-3.0 91,-2.7 -2,-0.4 2,-0.5 -0.952 15.2-175.0-107.7 120.6 6.6 27.1 47.1 6 11 A V E > -ab 30 96A 0 23,-2.4 25,-2.4 -2,-0.6 3,-0.6 -0.968 13.2-147.3-118.4 119.6 3.8 28.0 49.6 7 12 A T T 3 S+ 0 0 2 89,-2.2 91,-0.2 -2,-0.5 25,-0.1 -0.590 83.8 15.3 -84.5 150.9 3.3 25.8 52.7 8 13 A G T 3 S+ 0 0 23 -2,-0.2 3,-0.4 90,-0.2 6,-0.3 0.911 82.0 154.0 52.4 46.3 -0.3 25.4 54.0 9 14 A A < + 0 0 0 22,-2.1 9,-0.2 -3,-0.6 23,-0.1 0.492 38.4 91.6 -83.4 -5.9 -1.5 26.7 50.7 10 15 A A S S- 0 0 5 21,-0.5 2,-0.2 4,-0.1 -1,-0.2 0.842 93.1 -2.4 -63.0 -41.7 -5.0 25.0 50.7 11 16 A K S >> S+ 0 0 101 -3,-0.4 4,-1.5 4,-0.0 3,-0.7 -0.820 102.8 7.4-142.7 179.8 -7.1 27.8 52.4 12 17 A R H 3> S- 0 0 125 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 -0.102 122.4 -4.0 49.0-127.7 -7.3 31.2 54.1 13 18 A L H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 135.8 53.8 -63.1 -43.3 -4.0 33.3 54.0 14 19 A G H <> S+ 0 0 0 -3,-0.7 4,-2.3 -6,-0.3 -2,-0.2 0.889 109.0 48.6 -56.5 -44.2 -2.0 30.5 52.3 15 20 A R H X S+ 0 0 122 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.918 111.5 50.0 -62.9 -44.8 -4.5 30.2 49.5 16 21 A S H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.803 110.0 50.5 -63.9 -34.8 -4.5 34.0 49.0 17 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.929 111.8 47.9 -69.1 -45.0 -0.7 34.1 48.9 18 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 114.1 46.7 -60.9 -43.1 -0.7 31.3 46.3 19 24 A E H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 112.2 50.4 -64.4 -46.5 -3.3 33.1 44.2 20 25 A G H X S+ 0 0 16 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.873 113.0 44.9 -60.5 -41.3 -1.5 36.4 44.5 21 26 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 3,-0.9 0.907 112.0 52.7 -69.7 -41.5 1.8 34.9 43.4 22 27 A H H ><5S+ 0 0 4 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.893 105.2 55.5 -60.9 -41.0 0.1 33.0 40.5 23 28 A A H 3<5S+ 0 0 75 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.693 103.2 55.9 -64.8 -21.2 -1.5 36.3 39.4 24 29 A E T <<5S- 0 0 117 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.466 131.4 -93.1 -88.7 -3.7 2.0 37.8 39.1 25 30 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.352 77.6 142.9 110.0 -3.1 3.1 35.0 36.8 26 31 A Y < - 0 0 22 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.369 49.6-132.0 -72.1 146.3 4.5 32.5 39.2 27 32 A A E -a 3 0A 2 -25,-2.8 -23,-2.9 -2,-0.1 2,-0.5 -0.798 35.0-145.3 -88.7 138.4 4.2 28.7 38.9 28 33 A V E -ac 4 54A 0 25,-2.7 27,-1.7 -2,-0.4 2,-0.7 -0.934 20.8-156.6-123.9 128.3 3.1 27.5 42.4 29 34 A C E -ac 5 55A 0 -25,-3.0 -23,-2.4 -2,-0.5 2,-0.8 -0.867 22.3-154.7 -94.1 114.4 3.8 24.4 44.4 30 35 A L E -ac 6 56A 0 25,-2.9 27,-1.4 -2,-0.7 2,-0.2 -0.816 7.9-162.0 -96.6 105.5 0.9 24.1 46.9 31 36 A H E + c 0 57A 4 -25,-2.4 -22,-2.1 -2,-0.8 -21,-0.5 -0.566 14.6 170.1 -85.7 150.8 1.8 22.2 50.0 32 37 A Y E - c 0 58A 38 25,-1.7 27,-2.1 -2,-0.2 4,-0.1 -0.979 26.3-166.3-152.0 161.1 -0.9 20.7 52.3 33 38 A H S S- 0 0 58 -2,-0.3 3,-0.1 25,-0.2 -1,-0.1 0.710 88.7 -7.0-111.6 -69.2 -1.1 18.4 55.2 34 39 A R S S+ 0 0 206 1,-0.1 2,-1.1 25,-0.1 3,-0.3 0.547 112.4 84.6-109.1 -11.3 -4.8 17.4 55.7 35 40 A S > + 0 0 22 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.366 45.4 145.7 -93.3 58.1 -6.6 19.6 53.2 36 41 A A H > S+ 0 0 38 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.928 70.4 49.1 -56.8 -51.6 -6.2 17.4 50.2 37 42 A A H > S+ 0 0 75 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 113.9 45.3 -58.6 -45.7 -9.6 18.3 48.6 38 43 A E H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 113.3 50.0 -65.2 -44.8 -9.1 22.0 48.9 39 44 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 112.2 46.9 -60.4 -46.5 -5.5 21.9 47.7 40 45 A N H X S+ 0 0 77 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.843 110.7 52.0 -67.1 -34.3 -6.5 19.9 44.6 41 46 A A H X S+ 0 0 58 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.902 111.7 47.7 -67.3 -39.2 -9.4 22.2 43.8 42 47 A L H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.0 50.2 -66.1 -45.1 -7.1 25.2 44.0 43 48 A S H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.904 109.2 52.4 -58.0 -42.9 -4.5 23.5 41.8 44 49 A A H X S+ 0 0 61 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.893 109.3 49.8 -61.0 -42.3 -7.2 22.7 39.2 45 50 A T H X S+ 0 0 67 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.927 114.5 43.1 -62.3 -48.4 -8.3 26.3 39.1 46 51 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.873 113.7 51.4 -66.8 -38.9 -4.8 27.7 38.6 47 52 A N H < S+ 0 0 44 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.806 107.8 53.1 -68.7 -30.1 -4.0 25.0 36.0 48 53 A A H < S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.879 110.6 46.5 -71.2 -39.9 -7.1 25.8 34.1 49 54 A R H < S+ 0 0 162 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.839 136.7 6.9 -66.9 -37.3 -6.2 29.5 33.9 50 55 A R S >< S- 0 0 80 -4,-1.8 3,-0.9 -5,-0.1 -1,-0.3 -0.888 88.5-119.6-151.8 111.5 -2.6 28.7 32.9 51 56 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.239 92.0 7.0 -58.6 141.0 -1.5 25.1 32.1 52 57 A N T 3 S+ 0 0 92 2,-0.1 -5,-0.1 1,-0.1 3,-0.1 0.842 91.6 120.5 55.0 41.5 1.2 23.5 34.2 53 58 A S < + 0 0 4 -3,-0.9 -25,-2.7 -10,-0.2 2,-0.3 0.305 67.0 42.3-113.2 5.7 1.3 26.4 36.6 54 59 A A E +c 28 0A 4 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.987 52.6 171.2-155.2 142.8 0.4 24.5 39.8 55 60 A I E -c 29 0A 28 -27,-1.7 -25,-2.9 -2,-0.3 2,-0.4 -0.901 21.8-134.1-139.9 168.2 1.2 21.2 41.6 56 61 A T E -c 30 0A 43 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.991 16.7-178.7-132.0 140.6 0.4 19.7 45.1 57 62 A V E -c 31 0A 35 -27,-1.4 -25,-1.7 -2,-0.4 2,-0.4 -0.997 17.4-140.9-138.5 135.0 2.7 18.0 47.6 58 63 A Q E +c 32 0A 95 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.786 29.0 154.0-101.6 139.8 1.6 16.5 50.9 59 64 A A - 0 0 4 -27,-2.1 2,-0.6 -2,-0.4 -25,-0.1 -0.905 41.0-134.6-165.4 137.2 3.7 16.7 54.2 60 65 A D - 0 0 36 -2,-0.3 4,-0.2 1,-0.1 17,-0.1 -0.835 21.5-167.2 -85.7 120.3 3.3 16.6 57.9 61 66 A L + 0 0 9 -2,-0.6 68,-0.4 2,-0.1 -1,-0.1 0.273 45.8 121.3 -96.7 11.0 5.6 19.4 59.0 62 67 A S S S- 0 0 7 62,-0.2 2,-2.4 1,-0.1 59,-0.3 -0.406 81.5-103.4 -68.8 150.4 5.5 18.4 62.7 63 68 A N S S+ 0 0 46 57,-2.7 2,-0.3 54,-0.1 -1,-0.1 -0.350 85.4 107.5 -76.7 62.4 8.9 17.6 64.2 64 69 A V S S- 0 0 57 -2,-2.4 2,-0.3 -4,-0.2 -4,-0.1 -0.927 72.8-107.6-135.9 157.5 8.4 13.8 64.1 65 70 A A - 0 0 64 -2,-0.3 2,-0.3 8,-0.1 8,-0.2 -0.698 36.2-151.3 -84.3 136.4 9.6 10.9 62.0 66 71 A T B -G 72 0B 41 6,-3.4 6,-4.1 -2,-0.3 -1,-0.0 -0.772 24.7 -93.0-109.2 158.5 7.1 9.4 59.6 67 72 A A 0 0 92 -2,-0.3 -1,-0.0 4,-0.2 0, 0.0 -0.458 360.0 360.0 -66.8 132.6 6.7 5.8 58.3 68 73 A P 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.996 360.0 360.0 -60.7 360.0 8.5 5.3 54.9 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 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.9 14.0 3.5 58.2 71 82 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -4,-0.2 -0.227 360.0-114.5 -65.3 153.6 11.7 6.3 59.3 72 83 A V B -G 66 0B 30 -6,-4.1 -6,-3.4 4,-0.0 2,-0.1 -0.834 30.8-144.0 -94.9 122.2 11.4 9.5 57.4 73 84 A T > - 0 0 45 -2,-0.6 4,-1.9 -8,-0.2 5,-0.2 -0.336 23.4-110.5 -77.6 162.3 12.7 12.5 59.3 74 85 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.890 117.4 56.2 -58.0 -41.9 11.2 16.0 59.2 75 86 A F H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.900 105.7 49.5 -57.6 -46.9 14.4 17.3 57.4 76 87 A T H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 110.8 50.2 -60.1 -44.4 14.0 14.7 54.6 77 88 A R H X S+ 0 0 17 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.867 112.3 48.3 -62.1 -37.3 10.4 15.7 54.1 78 89 A C H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 3,-0.3 0.932 111.6 48.0 -69.9 -45.5 11.4 19.4 53.9 79 90 A A H X S+ 0 0 33 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.871 109.2 55.8 -61.1 -37.1 14.2 18.7 51.4 80 91 A E H X S+ 0 0 114 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.818 102.9 55.5 -64.5 -33.5 11.6 16.6 49.4 81 92 A L H X S+ 0 0 2 -4,-1.3 4,-0.8 -3,-0.3 -1,-0.2 0.939 112.5 41.0 -64.5 -47.2 9.3 19.6 49.2 82 93 A V H >X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 3,-0.9 0.917 112.8 55.5 -66.3 -44.4 12.0 21.8 47.7 83 94 A A H 3X S+ 0 0 27 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.796 98.2 62.9 -59.1 -31.6 13.1 19.0 45.5 84 95 A A H 3X S+ 0 0 24 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.847 102.6 50.5 -63.2 -33.8 9.6 18.6 44.1 85 96 A C H S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.8 6,-1.0 0.870 113.3 44.5 -69.7 -40.8 9.9 22.1 42.7 86 97 A Y H X5S+ 0 0 27 -4,-1.3 4,-1.0 4,-0.3 -2,-0.2 0.861 112.4 52.1 -72.9 -37.1 13.2 21.4 41.0 87 98 A T H <5S+ 0 0 127 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.885 120.7 32.6 -64.6 -41.7 12.1 18.0 39.6 88 99 A H H <5S+ 0 0 89 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.878 140.0 11.1 -86.8 -42.0 8.9 19.5 38.0 89 100 A W H <5S- 0 0 49 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.469 91.7-120.6-117.9 -6.5 10.0 23.0 37.0 90 101 A G S < + 0 0 130 2,-0.1 4,-0.9 1,-0.1 3,-0.1 0.164 360.0 94.9-122.3 11.6 -2.1 12.1 78.0 112 133 A R H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.822 78.5 67.2 -68.8 -32.7 1.7 12.4 77.6 113 134 A E H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 96.7 52.5 -50.6 -47.9 0.9 11.8 73.9 114 135 A A H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.819 113.2 41.8 -62.8 -36.7 -0.9 15.2 73.8 115 136 A M H X S+ 0 0 32 -4,-0.9 4,-2.1 -3,-0.3 5,-0.2 0.872 115.6 48.8 -79.6 -39.6 2.0 17.1 75.2 116 137 A E H X S+ 0 0 69 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.919 118.2 41.0 -65.5 -41.7 4.7 15.3 73.2 117 138 A T H X S+ 0 0 66 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.820 111.9 54.3 -78.9 -30.4 2.7 15.8 70.0 118 139 A A H X S+ 0 0 8 -4,-1.5 4,-3.2 -5,-0.2 5,-0.4 0.953 110.5 47.3 -64.2 -49.0 1.7 19.4 70.8 119 140 A T H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.919 116.5 42.5 -56.7 -50.7 5.3 20.4 71.3 120 141 A A H X S+ 0 0 16 -4,-1.7 -57,-2.7 -5,-0.2 4,-1.8 0.852 118.2 47.2 -68.1 -34.3 6.5 18.7 68.1 121 142 A D H X S+ 0 0 29 -4,-2.1 4,-2.1 -59,-0.3 -20,-0.3 0.938 116.5 39.1 -72.6 -51.9 3.6 20.0 66.1 122 143 A L H X S+ 0 0 0 -4,-3.2 4,-1.4 -5,-0.2 -21,-0.2 0.888 123.1 42.8 -69.9 -38.6 3.5 23.6 67.1 123 144 A F H X>S+ 0 0 8 -4,-2.1 5,-2.5 -5,-0.4 4,-1.7 0.874 115.4 49.2 -74.4 -37.5 7.3 23.9 67.1 124 145 A G H <>S+ 0 0 0 -4,-1.8 5,-3.2 -5,-0.3 -62,-0.2 0.949 115.9 39.4 -65.0 -54.1 7.7 21.9 63.8 125 146 A S H <5S+ 0 0 10 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 0.908 124.5 37.6 -64.4 -45.4 5.2 23.8 61.7 126 147 A N H <5S- 0 0 1 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.690 138.2 -4.4 -82.8 -23.2 6.0 27.2 63.0 127 148 A A T X5S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -3,-0.2 0.628 122.7 49.9-136.5 -57.4 9.8 27.0 63.4 128 149 A I H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.889 109.0 51.6 -51.5 -42.3 10.8 26.6 58.2 131 152 A Y H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.966 113.8 41.4 -57.9 -55.6 14.5 26.2 59.2 132 153 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.856 114.6 52.8 -61.9 -37.7 14.9 22.9 57.3 133 154 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.947 111.1 46.1 -63.3 -47.6 13.0 24.3 54.3 134 155 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.2 -2,-0.2 0.936 112.3 51.4 -59.8 -47.5 15.2 27.4 54.2 135 156 A K H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.927 113.3 44.1 -54.2 -49.3 18.3 25.2 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