==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PTERIDINE REDUCTASE 04-OCT-00 1E92 . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.W.SCHUETTELKOPF,W.N.HUNTER . 1047 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 13.0 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 . 66 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 35.8 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 1 1 0 0 8 2 5 4 5 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 0 127 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 108.9 8.6 31.4 34.5 2 7 A P - 0 0 44 0, 0.0 25,-2.7 0, 0.0 2,-0.4 -0.264 360.0-136.4 -68.3 157.7 9.5 31.8 38.2 3 8 A V E -a 27 0A 1 23,-0.2 91,-2.3 25,-0.0 90,-2.0 -0.948 14.6-167.5-119.6 135.9 8.4 29.2 40.8 4 9 A A E -ab 28 94A 0 23,-2.6 25,-2.9 -2,-0.4 2,-0.6 -0.964 9.4-154.7-122.2 136.6 7.0 29.7 44.3 5 10 A L E -ab 29 95A 0 89,-2.8 91,-2.7 -2,-0.4 2,-0.5 -0.944 16.0-173.1-105.8 120.5 6.5 27.0 46.9 6 11 A V E > -ab 30 96A 0 23,-2.5 25,-2.2 -2,-0.6 3,-0.6 -0.956 12.3-146.4-117.2 117.6 3.7 27.9 49.4 7 12 A T T 3 S+ 0 0 2 89,-2.4 91,-0.3 -2,-0.5 25,-0.1 -0.534 83.0 14.0 -81.7 148.8 3.2 25.7 52.5 8 13 A G T 3 S+ 0 0 24 -2,-0.2 3,-0.5 90,-0.2 6,-0.4 0.921 82.9 154.7 55.2 47.6 -0.4 25.2 53.8 9 14 A A < + 0 0 0 22,-2.3 23,-0.1 -3,-0.6 9,-0.1 0.453 36.3 93.4 -86.7 -1.7 -1.7 26.7 50.5 10 15 A A S S- 0 0 6 21,-0.4 2,-0.3 5,-0.1 -1,-0.2 0.800 92.9 -9.0 -68.1 -29.9 -5.1 25.0 50.4 11 16 A K S >> S+ 0 0 102 -3,-0.5 4,-2.3 4,-0.0 3,-0.7 -0.837 100.9 16.6-151.5-172.1 -7.0 27.8 51.9 12 17 A R H 3> S- 0 0 129 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.022 121.4 -5.6 43.9-129.2 -7.4 31.1 53.7 13 18 A L H 3> S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 136.8 52.7 -64.0 -41.4 -4.1 33.2 53.7 14 19 A G H <> S+ 0 0 0 -3,-0.7 4,-2.9 -6,-0.4 -2,-0.2 0.909 109.9 49.0 -60.6 -42.4 -2.0 30.5 52.0 15 20 A R H X S+ 0 0 73 -4,-2.3 4,-3.2 -7,-0.2 5,-0.2 0.948 111.8 49.3 -61.5 -45.7 -4.5 30.1 49.1 16 21 A S H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.869 111.4 49.3 -62.7 -36.2 -4.6 33.9 48.7 17 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.948 111.7 48.2 -68.9 -45.4 -0.8 34.0 48.6 18 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.926 113.9 47.6 -61.0 -40.8 -0.7 31.2 46.1 19 24 A E H X S+ 0 0 57 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.915 112.1 49.7 -66.7 -41.6 -3.3 33.0 44.0 20 25 A G H X S+ 0 0 13 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.907 113.0 45.0 -64.3 -40.6 -1.5 36.4 44.3 21 26 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 3,-0.8 0.928 112.5 52.4 -70.0 -41.0 1.8 34.9 43.2 22 27 A H H ><5S+ 0 0 4 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.923 105.1 55.5 -60.0 -41.0 0.1 33.0 40.4 23 28 A A H 3<5S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.755 103.5 56.1 -64.3 -22.3 -1.5 36.3 39.2 24 29 A E T <<5S- 0 0 112 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.539 131.7 -92.3 -86.0 -6.7 1.9 37.8 38.9 25 30 A G T < 5S+ 0 0 26 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.367 78.2 140.9 114.1 -4.1 3.1 35.0 36.6 26 31 A Y < - 0 0 21 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.415 49.9-133.6 -74.7 149.2 4.5 32.4 39.1 27 32 A A E -a 3 0A 1 -25,-2.7 -23,-2.6 -2,-0.1 2,-0.4 -0.784 35.5-146.5 -90.0 141.9 4.1 28.7 38.7 28 33 A V E -ac 4 54A 0 25,-2.7 27,-1.7 -2,-0.4 2,-0.7 -0.951 20.4-153.4-126.3 133.8 3.1 27.5 42.2 29 34 A C E -ac 5 55A 0 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.8 -0.875 22.1-153.5 -98.4 114.4 3.7 24.4 44.2 30 35 A L E -ac 6 56A 0 25,-3.1 27,-1.9 -2,-0.7 2,-0.3 -0.796 8.2-162.1 -93.8 108.1 0.8 24.1 46.6 31 36 A H E + c 0 57A 3 -25,-2.2 -22,-2.3 -2,-0.8 -21,-0.4 -0.652 15.2 170.0 -88.7 148.4 1.7 22.1 49.7 32 37 A Y E - c 0 58A 38 25,-2.0 27,-2.1 -2,-0.3 4,-0.1 -0.963 25.8-166.7-150.0 161.1 -1.0 20.7 52.0 33 38 A H S S- 0 0 55 -2,-0.3 3,-0.1 25,-0.2 -1,-0.1 0.683 88.3 -5.8-114.7 -66.8 -1.3 18.4 54.9 34 39 A R S S+ 0 0 200 1,-0.1 2,-1.2 25,-0.1 3,-0.3 0.594 113.8 83.0-107.4 -14.8 -5.0 17.4 55.4 35 40 A S > + 0 0 24 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.320 45.4 144.9 -90.9 56.6 -6.7 19.6 52.9 36 41 A A H > S+ 0 0 37 -2,-1.2 4,-2.8 1,-0.2 5,-0.3 0.926 71.4 48.9 -57.2 -47.3 -6.2 17.4 49.8 37 42 A A H > S+ 0 0 74 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.910 113.8 45.4 -64.1 -42.0 -9.6 18.3 48.2 38 43 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 113.9 49.7 -65.4 -46.9 -9.1 22.0 48.7 39 44 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.926 111.9 46.8 -58.1 -48.4 -5.6 21.9 47.4 40 45 A N H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.839 111.0 52.6 -65.7 -31.6 -6.5 19.9 44.3 41 46 A A H X S+ 0 0 52 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.903 110.0 48.7 -69.2 -40.2 -9.4 22.2 43.5 42 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.943 111.7 49.0 -64.0 -46.0 -7.1 25.2 43.8 43 48 A S H X S+ 0 0 13 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.924 108.9 52.8 -58.6 -45.4 -4.5 23.6 41.5 44 49 A A H X S+ 0 0 60 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.945 110.4 49.0 -57.4 -45.8 -7.3 22.7 38.9 45 50 A T H X S+ 0 0 52 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.936 114.5 43.3 -59.3 -49.1 -8.4 26.4 38.9 46 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.908 114.4 49.9 -65.8 -41.4 -4.8 27.7 38.4 47 52 A N H < S+ 0 0 43 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.0 54.4 -66.4 -31.1 -4.0 25.1 35.8 48 53 A A H < S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.856 110.7 46.2 -70.2 -33.6 -7.2 25.9 33.9 49 54 A R H < S+ 0 0 157 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 136.7 5.7 -72.5 -38.5 -6.1 29.5 33.8 50 55 A R S >< S- 0 0 81 -4,-2.2 3,-0.8 -5,-0.1 -1,-0.3 -0.904 87.6-118.0-149.7 110.9 -2.5 28.7 32.7 51 56 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.170 94.0 6.5 -51.2 139.4 -1.5 25.1 31.9 52 57 A N T 3 S+ 0 0 91 2,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.871 90.2 122.6 52.3 46.6 1.2 23.6 34.0 53 58 A S < + 0 0 3 -3,-0.8 -25,-2.7 1,-0.2 2,-0.3 0.252 68.4 37.1-116.8 8.7 1.2 26.5 36.5 54 59 A A E +c 28 0A 4 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.973 51.1 172.8-160.7 145.8 0.5 24.5 39.6 55 60 A I E -c 29 0A 28 -27,-1.7 -25,-3.1 -2,-0.3 2,-0.3 -0.899 23.1-133.3-140.4 167.0 1.1 21.2 41.4 56 61 A T E -c 30 0A 38 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.948 17.0-175.4-125.7 149.9 0.2 19.9 44.8 57 62 A V E -c 31 0A 33 -27,-1.9 -25,-2.0 -2,-0.3 2,-0.3 -0.991 15.9-139.7-145.2 136.1 2.5 18.0 47.3 58 63 A Q E +c 32 0A 93 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.748 30.4 150.9-101.6 143.1 1.5 16.5 50.7 59 64 A A - 0 0 4 -27,-2.1 2,-0.6 -2,-0.3 -25,-0.1 -0.825 41.4-134.8-172.0 134.9 3.5 16.7 53.9 60 65 A D - 0 0 34 -2,-0.3 4,-0.1 1,-0.1 17,-0.1 -0.804 19.9-167.3 -86.6 121.0 3.1 16.7 57.6 61 66 A L + 0 0 9 -2,-0.6 71,-0.4 2,-0.1 -1,-0.1 0.195 45.6 123.9 -98.0 15.0 5.5 19.4 58.7 62 67 A S S S- 0 0 8 65,-0.2 2,-2.0 1,-0.1 62,-0.3 -0.437 79.3-105.2 -69.5 153.4 5.2 18.4 62.4 63 68 A N S S+ 0 0 42 60,-2.9 2,-0.3 57,-0.1 -1,-0.1 -0.390 85.6 101.2 -84.1 65.4 8.6 17.6 63.9 64 69 A V S S- 0 0 57 -2,-2.0 2,-0.3 -4,-0.1 -4,-0.1 -0.917 75.6-104.2-139.3 160.2 8.2 13.8 63.9 65 70 A A - 0 0 62 -2,-0.3 8,-0.2 8,-0.1 2,-0.2 -0.666 37.3-151.1 -85.5 144.3 9.4 10.9 61.7 66 71 A T B -G 72 0B 41 6,-3.2 6,-3.5 -2,-0.3 11,-0.0 -0.717 24.9 -88.9-112.7 168.8 6.9 9.4 59.3 67 72 A A 0 0 88 -2,-0.2 -1,-0.1 4,-0.2 0, 0.0 -0.489 360.0 360.0 -73.9 141.7 6.4 5.9 57.9 68 73 A P 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.159 360.0 360.0 -70.9 360.0 8.3 5.4 54.6 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 0 100 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.2 13.4 3.4 57.5 71 82 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.382 360.0-123.8 -66.3 146.2 11.4 6.3 59.1 72 83 A V B -G 66 0B 29 -6,-3.5 -6,-3.2 -2,-0.0 2,-0.1 -0.810 25.0-140.9 -94.2 127.5 11.3 9.5 57.1 73 84 A T > - 0 0 14 -2,-0.5 4,-2.2 -8,-0.2 5,-0.2 -0.429 21.2-112.9 -83.7 161.4 12.5 12.5 59.0 74 85 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 117.8 56.5 -59.1 -41.1 11.0 16.1 58.9 75 86 A F H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 107.5 47.7 -59.0 -42.4 14.2 17.3 57.2 76 87 A T H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.5 50.9 -65.2 -43.6 13.8 14.8 54.4 77 88 A R H X S+ 0 0 17 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.885 112.7 47.6 -62.3 -35.7 10.2 15.6 53.9 78 89 A C H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.935 109.4 51.6 -70.0 -44.6 11.1 19.3 53.7 79 90 A A H 3X S+ 0 0 32 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.850 108.4 53.8 -59.4 -34.2 14.0 18.6 51.2 80 91 A E H 3X S+ 0 0 115 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.757 103.0 56.5 -71.9 -26.8 11.5 16.7 49.1 81 92 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 3,-1.0 0.934 113.1 54.9 -63.5 -44.3 11.7 21.8 47.5 83 94 A A H 3X S+ 0 0 26 -4,-2.6 4,-3.3 1,-0.3 5,-0.3 0.828 98.4 64.0 -57.8 -33.4 13.0 19.0 45.3 84 95 A A H 3X S+ 0 0 24 -4,-1.7 4,-2.1 1,-0.2 5,-0.3 0.873 102.2 50.1 -59.9 -35.1 9.4 18.6 43.9 85 96 A C H S+ 0 0 0 -3,-1.0 4,-2.4 -4,-1.0 6,-1.0 0.898 113.5 44.0 -70.3 -40.3 9.8 22.2 42.5 86 97 A Y H X5S+ 0 0 25 -4,-1.4 4,-1.7 4,-0.3 -2,-0.2 0.928 113.7 50.8 -71.4 -40.3 13.1 21.4 40.8 87 98 A T H <5S+ 0 0 124 -4,-3.3 -2,-0.2 2,-0.2 -1,-0.2 0.904 120.6 33.8 -62.2 -43.7 12.0 18.0 39.5 88 99 A H H <5S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.894 140.7 9.9 -82.0 -41.3 8.8 19.5 37.9 89 100 A W H <5S- 0 0 48 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.453 92.1-119.8-119.3 -5.0 9.9 22.9 36.8 90 101 A G S < 0 0 95 0, 0.0 4,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.2 -3.7 9.9 76.7 114 132 A D H > + 0 0 124 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.957 360.0 48.0 -66.6 -58.4 -1.9 12.9 78.4 115 133 A R H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.856 109.0 59.8 -53.7 -36.2 1.7 12.5 77.3 116 134 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.910 103.9 46.0 -59.7 -47.7 0.5 12.0 73.8 117 135 A A H X S+ 0 0 60 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.858 118.1 43.9 -67.2 -33.8 -1.3 15.3 73.5 118 136 A M H X S+ 0 0 30 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.975 114.7 46.5 -74.2 -54.5 1.7 17.2 74.9 119 137 A E H X S+ 0 0 106 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.906 119.0 42.0 -54.1 -45.2 4.4 15.4 73.0 120 138 A T H X S+ 0 0 72 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.886 111.1 55.2 -74.7 -33.9 2.5 15.7 69.8 121 139 A A H X S+ 0 0 11 -4,-1.9 4,-3.7 -5,-0.3 5,-0.4 0.954 109.8 47.4 -59.9 -49.1 1.4 19.4 70.4 122 140 A T H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 5,-0.5 0.936 115.9 43.2 -57.5 -51.2 5.1 20.4 70.9 123 141 A A H X S+ 0 0 15 -4,-1.9 -60,-2.9 -5,-0.3 4,-1.4 0.876 119.4 44.5 -64.7 -37.1 6.3 18.6 67.8 124 142 A D H X S+ 0 0 31 -4,-2.7 4,-2.2 -62,-0.3 5,-0.4 0.950 117.2 41.2 -73.6 -51.4 3.3 19.9 65.8 125 143 A L H X S+ 0 0 0 -4,-3.7 4,-1.7 -5,-0.2 -24,-0.2 0.954 123.6 38.6 -63.7 -49.7 3.3 23.5 66.9 126 144 A F H X>S+ 0 0 8 -4,-2.1 5,-2.7 -5,-0.4 4,-1.9 0.862 115.8 53.4 -70.1 -35.8 7.0 23.9 66.8 127 145 A G H <>S+ 0 0 0 -4,-1.4 5,-3.3 -5,-0.5 -2,-0.2 0.966 114.8 36.9 -64.3 -53.0 7.5 21.9 63.7 128 146 A S H <5S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.912 125.4 39.2 -66.1 -43.2 5.0 23.7 61.4 129 147 A N H <5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.705 137.8 -4.6 -81.9 -22.9 5.7 27.2 62.8 130 148 A A T X5S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -3,-0.2 0.621 122.6 50.4-138.1 -52.5 9.5 27.0 63.2 131 149 A I H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.926 108.5 51.0 -53.5 -41.3 10.6 26.5 58.0 134 152 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.952 113.6 42.1 -60.4 -50.4 14.2 26.1 59.0 135 153 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.832 114.6 51.6 -67.6 -32.9 14.7 22.8 57.1 136 154 A L H X S+ 0 0 1 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.920 111.8 46.6 -69.0 -42.3 12.8 24.2 54.1 137 155 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.920 112.3 51.0 -65.3 -42.1 15.0 27.3 54.0 138 156 A K H X S+ 0 0 24 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.936 113.9 43.4 -62.2 -46.1 18.1 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