==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-AUG-12 4GH5 . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE SDR; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR J.W.BAKELAR,S.J.JOHNSON . 985 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 72 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 2 3 1 2 0 0 0 4 8 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 9 8 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 . 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 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 3 A N > 0 0 145 0, 0.0 3,-1.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 30.2 34.5 65.7 18.5 2 4 A R T 3 + 0 0 21 1,-0.3 228,-0.6 227,-0.1 229,-0.2 0.687 360.0 36.8 -69.2 -17.0 33.7 62.0 19.1 3 5 A L T > S+ 0 0 0 25,-2.7 3,-2.1 22,-0.2 -1,-0.3 -0.032 80.6 155.2-123.1 29.0 37.3 61.3 20.3 4 6 A K T < S+ 0 0 125 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.317 74.5 10.1 -54.5 135.4 37.9 64.6 22.1 5 7 A N T 3 S+ 0 0 139 24,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.661 98.9 131.7 62.7 17.9 40.6 64.1 24.8 6 8 A E < - 0 0 16 -3,-2.1 25,-2.2 23,-0.2 2,-0.5 -0.766 44.1-157.3 -95.8 150.4 41.4 60.6 23.5 7 9 A V E -a 31 0A 15 -2,-0.3 77,-2.9 23,-0.2 78,-2.2 -0.978 16.9-170.9-127.3 113.3 45.0 59.5 22.9 8 10 A I E -ab 32 85A 0 23,-2.7 25,-2.5 -2,-0.5 2,-0.4 -0.928 15.0-159.3-119.0 124.5 45.3 56.7 20.4 9 11 A A E -ab 33 86A 0 76,-2.4 78,-2.8 -2,-0.5 2,-0.5 -0.870 12.3-166.0 -95.9 134.1 48.3 54.5 19.5 10 12 A I E > -ab 34 87A 0 23,-2.8 25,-2.5 -2,-0.4 3,-1.2 -0.954 9.1-149.0-125.4 109.7 48.0 52.8 16.1 11 13 A T E 3 S+ab 35 88A 2 76,-2.6 78,-0.5 -2,-0.5 25,-0.2 -0.530 90.8 21.6 -76.1 147.5 50.4 50.0 15.2 12 14 A G T > S+ 0 0 13 23,-2.0 3,-0.9 77,-0.2 6,-0.4 0.762 86.7 145.3 63.9 25.2 51.1 49.8 11.5 13 15 A G T < + 0 0 0 -3,-1.2 9,-0.1 22,-1.1 23,-0.1 0.510 42.3 83.1 -74.8 -5.6 49.9 53.4 11.5 14 16 A G T 3 S- 0 0 1 21,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.707 101.8 -1.4 -73.5 -20.9 52.3 54.6 8.8 15 17 A A S X> S+ 0 0 48 -3,-0.9 4,-1.2 30,-0.0 3,-0.7 -0.932 103.1 15.4-155.5 172.8 50.2 53.5 5.8 16 18 A G H 3> S- 0 0 27 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.143 119.4 -9.1 62.1-141.9 47.1 51.7 4.6 17 19 A I H 3> S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 135.2 57.3 -59.4 -40.5 44.2 51.1 7.0 18 20 A G H <> S+ 0 0 0 -3,-0.7 4,-2.1 -6,-0.4 -1,-0.2 0.894 107.4 47.5 -59.6 -41.7 46.2 52.2 10.0 19 21 A L H X S+ 0 0 38 -4,-1.2 4,-2.3 -7,-0.3 -1,-0.2 0.906 110.2 52.2 -67.2 -41.0 46.9 55.6 8.4 20 22 A A H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.856 107.4 53.2 -62.6 -36.0 43.2 56.0 7.5 21 23 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 108.2 50.8 -60.2 -46.1 42.4 55.3 11.2 22 24 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 109.4 50.2 -57.7 -45.0 44.8 58.0 12.2 23 25 A S H X S+ 0 0 63 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.937 113.9 43.7 -62.0 -46.8 43.2 60.5 9.8 24 26 A A H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.866 111.5 53.9 -68.9 -35.0 39.7 59.8 11.1 25 27 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 -1,-0.2 0.914 109.7 48.0 -65.4 -41.6 40.8 59.8 14.7 26 28 A L H ><5S+ 0 0 20 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.882 106.4 57.7 -63.0 -40.1 42.3 63.3 14.3 27 29 A R H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.875 106.7 50.1 -54.0 -38.0 39.1 64.4 12.6 28 30 A E T 3<5S- 0 0 18 -4,-1.5 -25,-2.7 -27,-0.1 -1,-0.3 0.263 127.5 -97.3 -91.5 8.1 37.3 63.4 15.7 29 31 A G T < 5S+ 0 0 32 -3,-1.7 -24,-0.7 1,-0.3 -3,-0.2 0.479 75.9 136.4 99.1 3.3 39.7 65.3 18.0 30 32 A A < - 0 0 6 -5,-2.3 25,-0.4 -26,-0.2 2,-0.4 -0.350 52.1-127.8 -76.3 160.1 42.1 62.6 19.2 31 33 A K E -a 7 0A 101 -25,-2.2 -23,-2.7 -28,-0.2 2,-0.4 -0.890 35.0-155.5 -96.8 142.4 45.8 62.9 19.5 32 34 A V E -ac 8 56A 0 23,-2.4 25,-2.1 -2,-0.4 2,-0.5 -0.944 20.9-157.9-128.7 144.4 47.5 60.0 17.7 33 35 A A E -ac 9 57A 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.6 -0.982 14.1-154.0-113.8 120.3 50.7 58.0 17.8 34 36 A L E -ac 10 58A 0 23,-2.9 25,-2.3 -2,-0.5 2,-0.5 -0.856 13.2-173.3 -91.2 121.3 51.7 56.2 14.6 35 37 A I E +ac 11 59A 1 -25,-2.5 -23,-2.0 -2,-0.6 -22,-1.1 -0.973 14.9 162.7-119.0 119.0 53.9 53.2 15.5 36 38 A D E - c 0 60A 22 23,-2.2 25,-1.8 -2,-0.5 6,-0.1 -0.968 51.8-123.9-141.6 149.3 55.3 51.4 12.5 37 39 A L S S+ 0 0 115 -2,-0.3 2,-1.0 23,-0.2 3,-0.1 0.854 109.2 65.7 -55.7 -36.5 58.1 48.9 11.7 38 40 A D S > S- 0 0 80 1,-0.2 4,-2.3 23,-0.1 -1,-0.2 -0.796 71.1-172.6 -90.9 98.8 59.2 51.6 9.2 39 41 A Q H > S+ 0 0 105 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.914 83.0 52.8 -60.8 -45.6 60.2 54.5 11.4 40 42 A G H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 109.8 48.9 -57.4 -43.9 60.7 56.9 8.5 41 43 A L H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.923 109.5 51.9 -62.1 -46.3 57.2 56.2 7.3 42 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 114.4 43.5 -56.2 -44.3 55.7 56.7 10.7 43 45 A E H X S+ 0 0 91 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.891 114.6 47.6 -72.2 -40.7 57.4 60.1 11.0 44 46 A R H X S+ 0 0 155 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.937 114.7 46.9 -65.0 -45.6 56.6 61.2 7.5 45 47 A S H X S+ 0 0 12 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.908 110.5 52.1 -64.0 -39.9 53.0 60.2 7.8 46 48 A A H X S+ 0 0 4 -4,-2.1 4,-1.2 -5,-0.3 10,-0.3 0.907 110.2 49.3 -63.2 -38.1 52.7 61.9 11.2 47 49 A A H < S+ 0 0 71 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.927 109.5 52.3 -62.7 -44.4 54.1 65.1 9.7 48 50 A M H < S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.872 112.6 45.1 -60.3 -37.5 51.6 64.9 6.9 49 51 A L H < S+ 0 0 15 -4,-2.0 2,-2.0 1,-0.2 -1,-0.2 0.686 88.5 88.5 -80.8 -21.5 48.7 64.5 9.3 50 52 A S < + 0 0 46 -4,-1.2 3,-0.3 -3,-0.5 2,-0.3 -0.258 60.9 126.8 -84.0 54.2 49.6 67.3 11.8 51 53 A T > + 0 0 102 -2,-2.0 3,-1.8 1,-0.2 -3,-0.0 -0.762 61.7 18.6-106.8 155.0 47.8 70.1 10.0 52 54 A G T 3 S- 0 0 92 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.787 136.3 -51.2 61.6 30.0 45.3 72.6 11.4 53 55 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.333 98.4 143.9 91.4 -7.6 46.3 71.9 15.0 54 56 A A < - 0 0 31 -3,-1.8 2,-0.6 -5,-0.1 -1,-0.3 -0.414 42.6-140.7 -66.4 142.1 46.0 68.2 14.7 55 57 A V + 0 0 48 -25,-0.4 -23,-2.4 -3,-0.1 2,-0.4 -0.907 33.2 154.1-115.1 109.0 48.6 66.3 16.7 56 58 A A E -c 32 0A 2 -2,-0.6 2,-0.3 -10,-0.3 -23,-0.2 -0.998 15.1-175.1-130.2 134.1 50.1 63.1 15.3 57 59 A K E -c 33 0A 101 -25,-2.1 -23,-2.9 -2,-0.4 2,-0.3 -0.968 14.4-137.1-130.2 146.1 53.6 61.8 16.2 58 60 A G E +c 34 0A 15 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.779 18.1 178.8-110.3 151.5 55.5 58.9 14.8 59 61 A F E -c 35 0A 26 -25,-2.3 -23,-2.2 -2,-0.3 2,-0.5 -0.993 23.2-130.1-147.1 141.7 57.6 56.1 16.4 60 62 A G E +c 36 0A 32 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.837 42.3 138.6 -98.7 131.2 59.5 53.1 15.0 61 63 A A - 0 0 8 -25,-1.8 2,-0.6 -2,-0.5 -23,-0.1 -0.895 47.8-131.7-166.4 142.0 58.9 49.7 16.5 62 64 A D > - 0 0 18 -2,-0.3 3,-2.2 3,-0.1 7,-0.5 -0.879 21.9-146.4 -89.7 118.2 58.5 46.1 15.5 63 65 A V T 3 S+ 0 0 8 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.676 96.5 63.1 -61.6 -15.1 55.4 44.8 17.4 64 66 A T T 3 S+ 0 0 28 1,-0.1 2,-0.7 55,-0.1 -1,-0.3 0.524 88.3 77.3 -86.5 -5.5 57.1 41.4 17.6 65 67 A K S X> S- 0 0 116 -3,-2.2 4,-2.5 1,-0.2 3,-0.6 -0.889 70.4-158.8-110.0 102.0 59.9 42.8 19.7 66 68 A A H 3> S+ 0 0 47 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.871 88.8 46.6 -49.8 -50.5 58.6 43.3 23.3 67 69 A A H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.874 113.9 49.0 -64.6 -34.8 61.2 45.9 24.4 68 70 A D H <> S+ 0 0 79 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.927 113.6 43.1 -72.5 -46.8 60.9 47.9 21.2 69 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 -7,-0.5 5,-0.2 0.908 114.9 51.7 -66.9 -38.0 57.1 48.2 21.2 70 72 A T H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.928 110.2 48.7 -61.0 -45.7 57.1 48.8 24.9 71 73 A A H X S+ 0 0 53 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.882 110.3 51.6 -62.6 -38.0 59.6 51.6 24.4 72 74 A A H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.918 110.0 47.7 -65.8 -44.2 57.6 53.2 21.6 73 75 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 112.3 50.7 -63.0 -40.4 54.4 53.2 23.7 74 76 A T H X S+ 0 0 78 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 112.3 46.1 -61.3 -46.3 56.3 54.8 26.6 75 77 A S H X S+ 0 0 52 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.899 110.8 53.9 -62.1 -41.6 57.8 57.5 24.2 76 78 A A H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.936 109.4 47.2 -58.0 -46.9 54.3 58.1 22.8 77 79 A E H X5S+ 0 0 49 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.877 109.7 53.0 -65.9 -35.9 52.8 58.6 26.2 78 80 A Q H <5S+ 0 0 172 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.804 118.3 38.8 -63.7 -27.3 55.7 61.0 27.1 79 81 A T H <5S+ 0 0 72 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.832 134.8 12.1 -94.7 -40.8 54.9 62.9 24.0 80 82 A I H <5S- 0 0 10 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.396 110.9 -94.8-125.3 -1.9 51.1 63.0 23.6 81 83 A G << - 0 0 28 -4,-1.5 -1,-0.3 -5,-0.5 -2,-0.2 -0.268 60.1 -33.2 110.5 165.0 49.8 61.8 26.9 82 84 A S S S- 0 0 63 1,-0.1 -75,-0.1 -2,-0.1 2,-0.1 -0.292 73.6-104.1 -56.7 136.9 48.6 58.6 28.6 83 85 A L + 0 0 0 1,-0.2 -75,-0.2 -10,-0.1 -1,-0.1 -0.350 37.9 173.4 -66.9 141.2 46.9 56.2 26.1 84 86 A T S S+ 0 0 24 -77,-2.9 51,-1.0 1,-0.3 2,-0.3 0.517 72.9 30.0-112.4 -17.6 43.2 55.9 26.1 85 87 A G E -bd 8 135A 0 -78,-2.2 -76,-2.4 49,-0.2 2,-0.4 -0.995 56.4-168.3-144.0 149.0 43.1 53.7 23.0 86 88 A L E -bd 9 136A 0 49,-2.2 51,-2.7 -2,-0.3 2,-0.6 -0.995 5.4-163.8-134.7 128.3 45.2 51.1 21.1 87 89 A V E -bd 10 137A 0 -78,-2.8 -76,-2.6 -2,-0.4 2,-1.7 -0.958 8.3-156.9-112.1 113.9 44.6 49.8 17.6 88 90 A N E +bd 11 138A 2 49,-2.5 51,-0.8 -2,-0.6 29,-0.1 -0.538 41.6 142.0 -85.4 71.1 46.5 46.6 16.9 89 91 A N + 0 0 23 -2,-1.7 -1,-0.2 -78,-0.5 -77,-0.2 0.748 28.2 110.6 -88.7 -24.8 46.4 47.2 13.1 90 92 A A + 0 0 18 -3,-0.3 2,-0.3 -55,-0.1 49,-0.2 -0.254 42.4 138.3 -53.3 132.3 49.9 45.9 12.3 91 93 A G - 0 0 22 25,-0.1 2,-0.3 -79,-0.0 18,-0.1 -0.954 35.6-150.2-167.7 155.2 49.7 42.7 10.3 92 94 A I - 0 0 59 17,-0.3 2,-0.3 -2,-0.3 21,-0.1 -0.934 10.1-158.5-129.4 160.7 51.2 40.9 7.4 93 95 A A + 0 0 9 -2,-0.3 2,-0.3 20,-0.0 58,-0.0 -0.787 15.2 160.7-127.0 172.9 49.8 38.4 5.0 94 96 A G - 0 0 13 -2,-0.3 60,-0.3 2,-0.1 2,-0.3 -0.957 32.7 -98.8-178.2 174.0 51.3 35.8 2.6 95 97 A F + 0 0 121 -2,-0.3 56,-0.2 56,-0.1 2,-0.1 -0.774 52.3 112.1-112.8 157.3 50.5 32.6 0.7 96 98 A G B -g 151 0B 13 54,-2.6 56,-2.4 -2,-0.3 57,-0.5 -0.330 44.4-133.7 144.9 128.8 51.0 29.0 1.4 97 99 A S >> - 0 0 9 54,-0.2 4,-2.3 55,-0.1 3,-0.9 -0.501 40.0 -96.5 -94.4 169.4 48.8 26.0 2.2 98 100 A V T 34 S+ 0 0 0 1,-0.2 274,-0.1 2,-0.2 277,-0.1 0.881 122.7 52.0 -53.7 -37.4 49.4 23.5 5.0 99 101 A H T 34 S+ 0 0 59 1,-0.2 -1,-0.2 276,-0.1 277,-0.1 0.752 126.9 17.2 -76.5 -21.4 51.1 21.1 2.6 100 102 A D T <4 S+ 0 0 92 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.389 86.2 126.8-132.2 2.2 53.6 23.5 1.1 101 103 A A < - 0 0 7 -4,-2.3 2,-0.5 1,-0.1 -5,-0.1 -0.339 63.6-113.2 -68.2 144.4 53.9 26.6 3.3 102 104 A D > - 0 0 99 1,-0.1 4,-2.5 -2,-0.0 5,-0.1 -0.667 18.3-141.3 -77.9 128.1 57.3 27.7 4.5 103 105 A A H > S+ 0 0 36 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.803 100.7 51.1 -59.3 -35.8 57.6 27.2 8.2 104 106 A A H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 111.1 47.2 -69.6 -42.6 59.6 30.4 8.6 105 107 A A H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 110.9 54.2 -62.3 -39.5 57.1 32.5 6.7 106 108 A W H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.955 109.0 47.7 -56.9 -52.1 54.3 30.8 8.8 107 109 A D H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 111.0 50.7 -59.9 -39.5 56.1 31.8 12.0 108 110 A R H X S+ 0 0 94 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.899 110.1 49.3 -69.7 -39.1 56.5 35.4 10.8 109 111 A I H X S+ 0 0 11 -4,-2.3 4,-1.7 1,-0.2 5,-0.4 0.926 114.5 45.3 -62.5 -45.0 52.9 35.8 9.9 110 112 A M H X>S+ 0 0 14 -4,-2.5 4,-2.0 -5,-0.2 5,-1.5 0.884 113.3 52.5 -64.1 -38.0 51.8 34.4 13.2 111 113 A A H <>S+ 0 0 22 -4,-2.3 5,-2.1 -5,-0.2 -2,-0.2 0.958 111.0 42.0 -66.7 -52.4 54.3 36.6 15.0 112 114 A V H <5S+ 0 0 10 -4,-2.6 5,-0.2 3,-0.2 -2,-0.2 0.948 125.8 34.5 -62.8 -47.9 53.3 40.0 13.5 113 115 A N H X5S+ 0 0 0 -4,-1.7 4,-1.2 -5,-0.3 -2,-0.2 0.983 133.4 20.3 -69.2 -62.2 49.6 39.4 13.8 114 116 A V H X5S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.4 -3,-0.2 0.970 129.5 41.0 -80.7 -56.4 49.2 37.3 16.9 115 117 A T H >S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.890 111.8 45.2 -62.3 -39.6 45.1 51.4 31.0 129 131 A L H ><5S+ 0 0 12 -4,-2.8 3,-1.0 2,-0.2 -1,-0.2 0.907 110.4 54.6 -71.3 -40.0 44.4 49.0 33.8 130 132 A E H 3<5S+ 0 0 156 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.900 115.7 39.3 -56.0 -41.1 46.0 51.4 36.3 131 133 A R T 3<5S- 0 0 85 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.441 104.9-129.9 -89.7 -0.8 43.7 54.1 35.1 132 134 A H T < 5S+ 0 0 126 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.855 76.6 99.5 50.5 40.3 40.7 51.8 34.8 133 135 A K < + 0 0 108 -5,-2.4 2,-0.3 -6,-0.2 44,-0.2 -0.890 38.4 110.4-158.9 120.3 40.2 53.1 31.3 134 136 A G E - 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