==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JAN-99 2AE2 . COMPND 2 MOLECULE: PROTEIN (TROPINONE REDUCTASE-II); . SOURCE 2 ORGANISM_SCIENTIFIC: DATURA STRAMONIUM; . AUTHOR A.YAMASHITA,H.KATO,S.WAKATSUKI,T.TOMIZAKI,T.NAKATSU, . 518 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 13.9 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 . 30 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 0 0 0 0 2 6 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 2 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 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 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 2 A A 0 0 69 0, 0.0 5,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 135.6 15.1 5.5 131.9 2 3 A G > - 0 0 33 1,-0.1 3,-1.1 235,-0.0 236,-0.2 -0.133 360.0 -89.3 -73.7-178.1 15.5 6.9 128.5 3 4 A R T 3 S+ 0 0 155 1,-0.2 235,-1.4 234,-0.1 236,-0.2 0.796 126.3 36.8 -66.5 -26.9 17.1 10.3 128.1 4 5 A W T 3 S+ 0 0 150 233,-0.1 2,-0.3 232,-0.1 -1,-0.2 -0.057 114.1 52.3-117.6 34.2 13.7 12.1 128.3 5 6 A N < - 0 0 47 -3,-1.1 27,-0.2 2,-0.1 233,-0.1 -0.957 66.8-130.9-155.7 171.7 11.8 10.0 130.9 6 7 A L > + 0 0 0 25,-2.7 3,-2.3 -2,-0.3 28,-0.2 -0.084 41.1 162.3-120.4 32.5 12.0 8.6 134.4 7 8 A E T 3 S+ 0 0 114 1,-0.3 26,-0.2 24,-0.2 25,-0.1 -0.344 74.5 5.6 -56.7 121.4 11.0 5.0 133.7 8 9 A G T 3 S+ 0 0 59 24,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.433 96.6 133.6 85.3 -1.3 12.1 2.8 136.6 9 10 A C < - 0 0 7 -3,-2.3 25,-3.2 23,-0.1 2,-0.4 -0.580 46.8-142.2 -84.3 145.7 13.3 5.7 138.8 10 11 A T E -a 34 0A 20 -2,-0.2 79,-2.2 23,-0.2 78,-0.8 -0.851 23.2-176.4-106.8 144.1 12.3 5.9 142.4 11 12 A A E -ab 35 89A 0 23,-2.4 25,-2.4 -2,-0.4 2,-0.5 -0.994 24.7-156.0-146.5 150.8 11.5 9.2 144.1 12 13 A L E -ab 36 90A 0 77,-2.6 79,-3.0 -2,-0.3 2,-0.5 -0.995 15.7-177.7-123.6 124.5 10.6 10.9 147.4 13 14 A V E -ab 37 91A 0 23,-2.4 25,-0.7 -2,-0.5 3,-0.4 -0.992 18.8-140.8-123.9 120.4 8.7 14.2 147.2 14 15 A T E S+a 38 0A 3 77,-2.1 79,-0.3 -2,-0.5 25,-0.1 -0.602 79.7 12.9 -83.8 141.7 7.9 15.9 150.5 15 16 A G S S+ 0 0 19 23,-0.6 6,-0.3 -2,-0.3 3,-0.3 0.978 73.6 153.7 61.8 59.6 4.5 17.6 150.9 16 17 A G + 0 0 0 22,-1.4 23,-0.1 -3,-0.4 9,-0.1 0.241 44.5 88.8-105.0 15.3 2.8 16.2 147.9 17 18 A S S S+ 0 0 13 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.636 97.0 16.4 -85.4 -14.1 -0.8 16.4 149.0 18 19 A R S >> S- 0 0 111 -3,-0.3 4,-1.6 175,-0.0 3,-0.6 -0.950 105.5 -9.7-150.4 170.1 -1.3 19.9 147.6 19 20 A G H 3> S- 0 0 17 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.021 118.9 -2.3 45.7-131.0 -0.0 22.6 145.4 20 21 A I H 3> S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 133.5 53.8 -60.2 -45.3 3.4 22.3 143.8 21 22 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.3 -5,-0.2 0.900 107.9 50.4 -58.1 -42.8 4.2 19.0 145.5 22 23 A Y H X S+ 0 0 54 -4,-1.6 4,-2.2 -7,-0.2 -1,-0.2 0.941 111.3 49.6 -60.1 -46.4 1.1 17.5 144.2 23 24 A G H X S+ 0 0 9 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.857 109.7 51.3 -61.5 -36.5 2.0 18.7 140.7 24 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.906 108.0 51.5 -68.7 -41.7 5.5 17.3 141.0 25 26 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.950 111.8 46.9 -59.1 -50.1 4.2 13.8 142.0 26 27 A E H X S+ 0 0 44 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.877 114.0 48.5 -60.2 -39.4 1.9 13.7 139.1 27 28 A E H X S+ 0 0 50 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.949 113.9 43.7 -67.7 -49.8 4.6 14.8 136.7 28 29 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.5 0.908 117.0 47.2 -61.6 -43.1 7.3 12.4 137.9 29 30 A A H ><5S+ 0 0 9 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 0.908 107.6 54.9 -65.8 -43.3 4.8 9.5 137.9 30 31 A S H 3<5S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.697 106.4 54.8 -64.4 -16.9 3.4 10.3 134.5 31 32 A L T <<5S- 0 0 40 -4,-0.8 -25,-2.7 -3,-0.5 -1,-0.3 0.257 131.0 -90.0-100.2 9.8 7.0 10.1 133.3 32 33 A G T < 5S+ 0 0 7 -3,-2.0 -24,-1.6 1,-0.3 -3,-0.2 0.360 79.7 135.9 103.4 -4.5 7.5 6.6 134.6 33 34 A A < - 0 0 0 -5,-2.3 2,-0.7 -26,-0.2 25,-0.5 -0.414 53.5-129.1 -80.3 153.2 8.9 7.1 138.1 34 35 A S E -ac 10 58A 28 -25,-3.2 -23,-2.4 -28,-0.2 2,-0.4 -0.904 37.8-159.1 -97.2 119.0 7.7 5.2 141.2 35 36 A V E -ac 11 59A 0 23,-2.7 25,-1.8 -2,-0.7 2,-0.4 -0.825 21.7-170.1-113.3 145.7 6.9 8.0 143.8 36 37 A Y E +ac 12 60A 8 -25,-2.4 -23,-2.4 -2,-0.4 2,-0.3 -0.981 19.3 171.4-124.4 136.1 6.6 8.1 147.5 37 38 A T E -ac 13 61A 0 23,-2.3 25,-1.6 -2,-0.4 2,-0.3 -0.826 11.8-163.4-138.6 177.3 5.2 11.2 149.3 38 39 A C E +ac 14 62A 0 -25,-0.7 -22,-1.4 -2,-0.3 -23,-0.6 -0.965 12.7 161.5-156.2 170.4 4.1 12.5 152.6 39 40 A S E - c 0 63A 13 23,-0.6 25,-2.1 -2,-0.3 -2,-0.0 -0.922 50.2 -97.7-177.7 174.1 2.1 15.2 154.5 40 41 A R S S+ 0 0 143 -2,-0.3 2,-0.6 23,-0.2 23,-0.1 0.464 100.3 76.3 -88.8 -2.7 0.6 15.7 157.9 41 42 A N > - 0 0 64 1,-0.2 4,-2.1 23,-0.1 5,-0.2 -0.894 54.4-172.8-117.4 105.0 -2.9 14.8 156.9 42 43 A Q H > S+ 0 0 87 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.894 87.9 53.9 -58.6 -44.1 -3.7 11.1 156.4 43 44 A K H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 109.8 46.8 -59.5 -43.5 -7.1 11.7 154.9 44 45 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.3 52.5 -65.5 -40.8 -5.8 14.1 152.3 45 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.878 107.8 51.1 -62.0 -40.7 -3.0 11.6 151.4 46 47 A N H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.885 108.4 50.9 -66.5 -38.6 -5.6 8.8 150.9 47 48 A D H X S+ 0 0 76 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.921 112.4 48.5 -63.2 -42.3 -7.7 10.9 148.6 48 49 A C H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.930 107.5 53.2 -62.5 -49.2 -4.5 11.7 146.6 49 50 A L H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.895 109.3 50.3 -54.7 -41.8 -3.4 8.1 146.4 50 51 A T H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 111.2 48.5 -63.2 -43.1 -6.8 7.1 145.0 51 52 A Q H X S+ 0 0 85 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.946 116.9 41.3 -61.3 -51.6 -6.6 9.9 142.4 52 53 A W H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-0.8 0.902 114.2 50.1 -65.7 -45.5 -3.1 9.0 141.3 53 54 A R H ><5S+ 0 0 115 -4,-2.8 3,-2.1 -5,-0.3 -1,-0.2 0.870 102.9 59.1 -64.5 -37.4 -3.5 5.2 141.3 54 55 A S H 3<5S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.751 104.5 54.2 -63.4 -20.3 -6.7 5.3 139.3 55 56 A K T <<5S- 0 0 121 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.466 125.0-107.0 -89.4 -5.5 -4.5 7.0 136.7 56 57 A G T < 5 + 0 0 61 -3,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.577 68.9 148.5 90.8 9.8 -2.1 4.1 136.8 57 58 A F < - 0 0 33 -5,-2.1 2,-1.0 -8,-0.1 -1,-0.3 -0.479 50.2-128.1 -76.9 149.1 0.7 5.9 138.7 58 59 A K E +c 34 0A 109 -25,-0.5 -23,-2.7 -29,-0.1 2,-0.3 -0.832 51.1 151.3 -98.2 97.2 2.9 4.0 141.1 59 60 A V E -c 35 0A 8 -2,-1.0 2,-0.3 -25,-0.2 -23,-0.2 -0.958 24.3-179.7-132.6 150.3 2.6 6.0 144.3 60 61 A E E -c 36 0A 59 -25,-1.8 -23,-2.3 -2,-0.3 2,-0.3 -0.978 9.3-176.8-142.6 150.2 2.8 5.4 148.0 61 62 A A E -c 37 0A 9 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -1.000 11.8-174.9-153.3 151.9 2.5 7.8 150.9 62 63 A S E -c 38 0A 29 -25,-1.6 -23,-0.6 -2,-0.3 2,-0.1 -0.985 36.6-101.7-144.0 148.7 2.7 7.9 154.7 63 64 A V E +c 39 0A 57 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.448 46.1 166.9 -70.5 142.3 1.9 10.7 157.1 64 65 A C - 0 0 4 -25,-2.1 2,-0.9 -2,-0.1 -23,-0.1 -0.905 34.7-142.4-160.7 129.5 4.9 12.6 158.5 65 66 A D > - 0 0 48 -2,-0.3 3,-1.8 1,-0.1 6,-0.2 -0.846 16.4-163.7 -93.9 105.5 5.4 15.8 160.4 66 67 A L T 3 S+ 0 0 14 -2,-0.9 -1,-0.1 1,-0.3 6,-0.1 0.610 81.5 73.4 -66.6 -13.0 8.6 17.1 158.9 67 68 A S T 3 S+ 0 0 39 52,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.590 86.5 81.5 -76.8 -7.1 9.1 19.6 161.7 68 69 A S <> - 0 0 33 -3,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.879 67.3-155.4-106.8 122.3 10.1 16.5 163.8 69 70 A R H > S+ 0 0 95 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.900 97.6 48.6 -56.9 -45.6 13.6 15.0 163.7 70 71 A S H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 109.9 51.4 -65.8 -38.6 12.5 11.6 164.8 71 72 A E H > S+ 0 0 73 1,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.865 107.3 53.5 -66.6 -35.4 9.6 11.5 162.3 72 73 A R H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 108.7 49.9 -65.5 -37.4 12.0 12.4 159.5 73 74 A Q H X S+ 0 0 82 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.914 110.9 49.2 -65.7 -44.0 14.2 9.5 160.5 74 75 A E H X S+ 0 0 126 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.889 109.1 53.1 -61.9 -41.8 11.2 7.2 160.5 75 76 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.944 108.3 49.0 -60.4 -49.1 10.2 8.4 157.0 76 77 A M H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.889 109.3 53.0 -59.6 -40.7 13.6 7.7 155.5 77 78 A N H X S+ 0 0 88 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.940 111.1 46.1 -60.3 -47.2 13.6 4.2 157.0 78 79 A T H X S+ 0 0 64 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.878 114.9 46.3 -63.9 -40.3 10.2 3.4 155.4 79 80 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 110.0 53.3 -69.8 -42.8 11.1 4.8 152.0 80 81 A A H <>S+ 0 0 7 -4,-2.8 5,-4.6 1,-0.2 6,-0.4 0.895 114.4 42.2 -58.6 -41.4 14.4 3.1 151.9 81 82 A N H ><5S+ 0 0 124 -4,-1.9 3,-0.8 3,-0.2 -1,-0.2 0.853 112.3 54.0 -74.2 -35.0 12.7 -0.2 152.6 82 83 A H H 3<5S+ 0 0 72 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 118.2 36.1 -65.8 -36.6 9.9 0.6 150.2 83 84 A F T ><5S- 0 0 17 -4,-2.6 3,-1.1 -5,-0.1 -1,-0.2 0.210 114.9-115.2-100.7 13.1 12.5 1.2 147.5 84 85 A H T < 5S- 0 0 169 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.893 72.2 -53.1 54.0 46.0 14.8 -1.5 148.6 85 86 A G T 3 - 0 0 50 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.421 44.8-104.4 -69.4 152.2 7.5 41.5 159.9 102 103 A A G > S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.828 120.2 51.5 -48.4 -40.6 10.9 40.3 161.1 103 104 A K G 3 S+ 0 0 72 1,-0.2 -1,-0.3 282,-0.1 -2,-0.0 0.560 105.7 56.4 -78.8 -5.2 10.6 42.1 164.5 104 105 A D G < S+ 0 0 85 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.417 77.5 114.1-104.3 -1.2 7.2 40.6 165.2 105 106 A Y < - 0 0 24 -3,-0.9 2,-0.2 -4,-0.5 -6,-0.0 -0.467 57.5-143.6 -70.0 140.5 8.2 36.9 164.9 106 107 A T > - 0 0 68 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.597 27.8-106.4 -97.7 167.1 8.0 35.0 168.2 107 108 A V H > S+ 0 0 70 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.850 123.8 53.5 -61.5 -33.4 10.5 32.3 169.0 108 109 A E H > S+ 0 0 162 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 108.5 49.5 -66.2 -43.0 7.8 29.7 168.3 109 110 A D H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.952 113.3 45.5 -59.9 -52.0 7.3 31.3 164.8 110 111 A Y H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.899 113.1 49.4 -59.5 -45.9 11.0 31.3 164.0 111 112 A S H X S+ 0 0 61 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.883 111.6 49.7 -64.0 -38.9 11.6 27.7 165.3 112 113 A L H X S+ 0 0 69 -4,-2.2 4,-2.0 -5,-0.2 5,-0.3 0.977 114.0 42.0 -64.8 -56.1 8.6 26.4 163.3 113 114 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.885 116.1 48.6 -60.6 -41.0 9.5 27.9 159.9 114 115 A M H X>S+ 0 0 2 -4,-2.2 5,-2.7 -5,-0.3 4,-1.5 0.885 111.0 51.5 -68.4 -35.9 13.2 27.2 160.2 115 116 A S H <>S+ 0 0 15 -4,-1.7 5,-1.8 -5,-0.3 -2,-0.2 0.879 120.1 31.9 -70.4 -37.7 12.6 23.6 161.2 116 117 A I H <5S+ 0 0 10 -4,-2.0 5,-0.3 3,-0.2 -2,-0.2 0.912 124.5 42.2 -85.5 -45.5 10.3 22.8 158.3 117 118 A N H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.872 135.3 4.5 -72.0 -39.9 11.7 25.1 155.5 118 119 A F T X5S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.5 5,-0.2 0.808 126.8 48.9-113.2 -52.6 15.4 24.5 156.1 119 120 A E H > S+ 0 0 5 -5,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.916 115.9 44.5 -65.3 -44.8 15.4 19.7 153.8 122 123 A Y H X S+ 0 0 18 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.976 117.2 44.8 -63.2 -55.8 18.9 19.6 155.1 123 124 A H H X S+ 0 0 18 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.914 112.8 50.1 -55.9 -50.0 18.3 16.6 157.4 124 125 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.855 107.8 55.1 -60.3 -35.4 16.3 14.6 154.9 125 126 A S H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.925 110.4 44.7 -63.9 -44.7 19.0 15.1 152.3 126 127 A V H < S+ 0 0 35 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.894 112.7 50.9 -66.9 -40.0 21.7 13.7 154.6 127 128 A L H < S+ 0 0 43 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.861 113.5 46.3 -65.0 -35.3 19.5 10.8 155.6 128 129 A A H >X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 3,-0.8 0.665 87.8 93.3 -81.3 -17.9 18.8 10.0 152.0 129 130 A H H 3X S+ 0 0 13 -4,-1.1 4,-2.8 -3,-0.3 5,-0.3 0.868 81.8 50.2 -45.2 -54.2 22.5 10.3 150.9 130 131 A P H 3> S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.873 115.3 44.6 -57.0 -34.9 23.4 6.6 151.2 131 132 A F H <> S+ 0 0 44 -3,-0.8 -44,-1.9 -4,-0.3 4,-1.1 0.799 112.0 50.8 -78.3 -30.9 20.4 5.5 149.2 132 133 A L H < S+ 0 0 1 -4,-2.2 4,-0.4 2,-0.2 5,-0.4 0.926 113.4 46.7 -69.7 -45.1 20.9 8.2 146.5 133 134 A K H >< S+ 0 0 99 -4,-2.8 3,-1.1 -5,-0.3 -2,-0.2 0.862 109.8 54.1 -62.9 -37.8 24.5 7.1 146.2 134 135 A A H 3< S+ 0 0 43 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.765 96.9 65.5 -68.8 -26.7 23.4 3.5 146.1 135 136 A S T 3< S- 0 0 16 -4,-1.1 -1,-0.3 -48,-0.4 -2,-0.2 0.660 97.8-140.1 -69.9 -15.9 21.1 4.3 143.2 136 137 A E S < S+ 0 0 160 -3,-1.1 -3,-0.1 -4,-0.4 2,-0.1 0.270 89.0 54.1 74.0 -14.7 24.2 5.1 141.1 137 138 A R S S+ 0 0 58 -5,-0.4 2,-0.2 -50,-0.1 44,-0.2 -0.568 75.8 172.6-150.1 82.0 22.3 8.0 139.6 138 139 A G E - 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