==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-SEP-06 2IBS . COMPND 2 MOLECULE: 5'-D(*GP*TP*TP*CP*GP*(2PR)P*TP*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.PLJEVALJCIC,T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 14.9 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 . 4 0.5 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 . 2 0.3 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 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 19.2 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+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 4 1 1 1 2 2 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 6 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 PARALLEL BRIDGES PER LADDER . 2 4 6 2 2 0 4 1 1 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 . 6 2 2 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 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 21 A V 0 0 161 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.8 -16.1 -11.7 15.9 2 22 A E - 0 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.980 360.0-141.0-136.3 121.3 -15.3 -13.2 19.4 3 23 A T - 0 0 26 -2,-0.4 5,-0.1 1,-0.1 173,-0.1 -0.697 35.6-110.0 -78.6 125.2 -12.7 -12.0 21.9 4 24 A P >> - 0 0 16 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.241 22.0-120.9 -54.8 142.5 -11.0 -14.9 23.6 5 25 A P H 3> S+ 0 0 86 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.849 112.7 54.5 -55.3 -40.4 -11.9 -15.3 27.3 6 26 A E H 3> S+ 0 0 80 2,-0.2 4,-1.1 1,-0.2 201,-0.5 0.778 109.0 48.6 -66.8 -28.9 -8.2 -15.0 28.4 7 27 A V H <> S+ 0 0 1 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.895 113.4 46.8 -73.5 -43.4 -8.0 -11.6 26.6 8 28 A V H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.926 111.6 51.0 -62.9 -46.9 -11.3 -10.4 28.2 9 29 A D H X S+ 0 0 103 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.839 109.8 51.0 -59.2 -37.0 -10.2 -11.6 31.7 10 30 A F H < S+ 0 0 8 -4,-1.1 4,-0.4 -5,-0.2 -1,-0.2 0.876 111.6 46.2 -68.5 -40.2 -6.9 -9.7 31.2 11 31 A M H >X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 3,-0.7 0.850 109.9 53.6 -71.6 -37.1 -8.6 -6.4 30.2 12 32 A V H 3< S+ 0 0 6 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.836 102.5 58.6 -66.7 -34.4 -11.2 -6.7 33.0 13 33 A S T 3< S+ 0 0 84 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.683 108.9 46.0 -67.1 -19.5 -8.3 -7.0 35.6 14 34 A L T <4 S+ 0 0 26 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.577 95.4 99.6 -95.6 -15.0 -7.0 -3.6 34.3 15 35 A A < - 0 0 3 -4,-0.7 2,-0.3 -3,-0.5 66,-0.1 -0.477 50.6-173.6 -79.0 143.2 -10.5 -2.0 34.4 16 36 A E + 0 0 122 -2,-0.2 123,-0.3 64,-0.1 -2,-0.0 -0.994 9.3 167.6-136.9 143.2 -11.6 0.3 37.3 17 37 A A - 0 0 21 -2,-0.3 3,-0.1 121,-0.1 2,-0.1 -0.972 32.0-119.8-151.3 139.5 -14.9 2.0 38.2 18 38 A P > - 0 0 74 0, 0.0 3,-2.2 0, 0.0 2,-0.1 -0.390 53.5 -78.6 -70.0 158.9 -16.2 3.7 41.3 19 39 A R T 3 S+ 0 0 207 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.389 122.2 15.0 -63.1 130.6 -19.3 2.3 43.0 20 40 A G T 3 S+ 0 0 52 24,-3.1 -1,-0.3 1,-0.2 25,-0.2 0.444 98.7 151.0 81.9 2.5 -22.4 3.3 41.1 21 41 A G < - 0 0 4 -3,-2.2 25,-2.6 23,-0.4 2,-0.6 -0.173 52.6-104.3 -68.3 158.5 -20.2 4.3 38.2 22 42 A R E -a 46 0A 30 23,-0.2 59,-2.2 56,-0.1 58,-1.3 -0.760 34.4-168.2 -91.5 117.3 -21.2 4.2 34.5 23 43 A V E -ab 47 81A 0 23,-2.7 25,-2.8 -2,-0.6 2,-0.4 -0.923 6.2-169.7-111.2 122.2 -19.7 1.3 32.6 24 44 A L E -ab 48 82A 0 57,-2.8 59,-2.3 -2,-0.5 25,-0.2 -0.924 16.4-169.2-118.6 134.2 -20.0 1.3 28.8 25 45 A E E > -a 49 0A 5 23,-2.1 25,-2.1 -2,-0.4 3,-0.6 -0.946 16.0-156.6-115.6 107.8 -19.3 -1.3 26.1 26 46 A P E 3 S+a 50 0A 2 0, 0.0 59,-0.3 0, 0.0 25,-0.2 -0.544 81.3 15.7 -75.9 150.1 -19.3 0.1 22.5 27 47 A A T 3 S+ 0 0 34 23,-1.3 24,-0.2 -2,-0.2 58,-0.2 0.894 87.2 159.6 52.1 46.1 -20.0 -2.4 19.7 28 48 A C X + 0 0 2 22,-1.6 3,-2.8 -3,-0.6 2,-0.5 0.790 13.2 172.6 -73.7 -35.2 -21.3 -4.7 22.5 29 49 A A T 3 S- 0 0 26 1,-0.3 29,-2.2 21,-0.2 -1,-0.2 -0.473 86.0 -3.8 55.8-109.2 -23.5 -7.2 20.6 30 50 A H T 3 S- 0 0 77 -2,-0.5 -1,-0.3 27,-0.2 -2,-0.1 0.553 105.9-120.0 -85.9 -9.9 -24.3 -9.7 23.4 31 51 A G <> + 0 0 0 -3,-2.8 4,-1.5 28,-0.1 -2,-0.1 0.953 44.3 170.9 76.9 58.5 -22.0 -7.8 25.7 32 52 A P H > S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.789 79.0 52.1 -69.5 -27.8 -19.2 -10.2 26.9 33 53 A F H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.813 107.7 50.7 -77.5 -33.2 -17.2 -7.4 28.6 34 54 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 112.5 47.9 -68.8 -38.4 -20.1 -6.1 30.6 35 55 A R H X S+ 0 0 28 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.907 112.7 47.5 -67.4 -44.8 -20.8 -9.6 31.8 36 56 A A H X S+ 0 0 21 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.829 112.1 49.6 -68.6 -35.3 -17.1 -10.3 32.8 37 57 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.872 112.1 48.7 -68.8 -39.3 -16.8 -7.0 34.6 38 58 A R H X S+ 0 0 63 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.871 110.6 50.0 -68.4 -40.2 -20.0 -7.7 36.6 39 59 A E H < S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 119.2 39.1 -64.3 -35.6 -18.9 -11.2 37.5 40 60 A A H < S+ 0 0 65 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.862 130.9 21.6 -83.5 -39.6 -15.5 -9.8 38.7 41 61 A H H < S- 0 0 80 -4,-2.7 3,-0.2 1,-0.3 -3,-0.2 0.535 105.6-110.5-115.1 -11.3 -16.5 -6.6 40.4 42 62 A G < - 0 0 28 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.529 31.8 -72.2 109.5-173.5 -20.2 -6.9 41.3 43 63 A T S S+ 0 0 91 -2,-0.2 2,-1.9 1,-0.1 4,-0.1 0.496 90.3 101.7-104.4 -7.4 -23.6 -5.5 40.4 44 64 A A + 0 0 38 -3,-0.2 -24,-3.1 -6,-0.1 -23,-0.4 -0.369 65.2 86.0 -85.0 60.3 -23.5 -1.9 41.8 45 65 A Y S S- 0 0 35 -2,-1.9 2,-0.9 -25,-0.2 -23,-0.2 -0.957 82.3-108.4-145.3 161.0 -22.7 -0.1 38.6 46 66 A R E -a 22 0A 149 -25,-2.6 -23,-2.7 -2,-0.3 2,-0.4 -0.849 38.6-157.8 -95.1 104.3 -24.8 1.4 35.7 47 67 A F E +ac 23 63A 5 -2,-0.9 17,-2.6 15,-0.5 2,-0.4 -0.700 14.8 176.5 -88.4 128.7 -24.1 -1.0 32.7 48 68 A V E -ac 24 64A 2 -25,-2.8 -23,-2.1 -2,-0.4 2,-0.4 -0.985 10.3-167.8-132.6 141.4 -24.7 0.4 29.2 49 69 A G E -ac 25 65A 0 15,-2.8 17,-2.5 -2,-0.4 2,-0.5 -0.997 5.6-158.2-130.9 136.3 -24.1 -1.2 25.8 50 70 A V E +ac 26 66A 1 -25,-2.1 -22,-1.6 -2,-0.4 -23,-1.3 -0.959 19.5 165.0-116.7 127.6 -24.1 0.5 22.3 51 71 A E E - c 0 67A 21 15,-2.4 17,-1.6 -2,-0.5 -2,-0.0 -0.998 29.4-157.9-144.1 139.8 -24.8 -1.6 19.1 52 72 A I S S+ 0 0 108 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.783 78.2 69.7 -88.1 -30.1 -25.7 -0.6 15.5 53 73 A D >> - 0 0 63 1,-0.1 4,-1.7 15,-0.1 3,-1.2 -0.829 64.4-155.8-100.7 115.9 -27.2 -4.0 14.4 54 74 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.731 96.5 57.2 -57.5 -27.4 -30.6 -5.0 15.9 55 75 A K T 34 S+ 0 0 189 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.743 109.5 45.2 -73.9 -25.9 -29.8 -8.6 15.2 56 76 A A T <4 S+ 0 0 33 -3,-1.2 2,-0.4 -27,-0.0 -1,-0.2 0.804 86.6 97.0 -89.4 -34.1 -26.6 -8.4 17.3 57 77 A L < + 0 0 15 -4,-1.7 -27,-0.2 1,-0.1 541,-0.1 -0.449 38.0 146.5 -65.5 113.8 -27.9 -6.6 20.4 58 78 A D + 0 0 50 -29,-2.2 -1,-0.1 -2,-0.4 -3,-0.0 -0.510 16.5 161.6-150.6 71.4 -28.7 -9.2 23.0 59 79 A L - 0 0 4 538,-0.1 -28,-0.1 1,-0.1 538,-0.1 -0.682 41.4-104.8 -97.4 148.4 -28.0 -7.8 26.5 60 80 A P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 538,-0.2 -0.291 39.8-101.1 -65.4 158.0 -29.3 -9.1 29.9 61 81 A P T 3 S+ 0 0 82 0, 0.0 537,-0.1 0, 0.0 4,-0.1 0.627 118.2 65.4 -57.4 -19.0 -32.1 -7.1 31.6 62 82 A W T 3 S+ 0 0 60 2,-0.1 -15,-0.5 -16,-0.0 2,-0.4 0.590 95.9 67.3 -81.9 -10.9 -29.6 -5.5 34.1 63 83 A A E < S-c 47 0A 14 -3,-2.2 2,-0.5 -17,-0.1 -15,-0.2 -0.864 82.6-124.7-109.6 144.9 -27.9 -3.6 31.2 64 84 A E E -c 48 0A 91 -17,-2.6 -15,-2.8 -2,-0.4 2,-0.5 -0.780 24.9-152.9 -86.5 123.8 -29.3 -0.8 29.1 65 85 A G E -c 49 0A 36 -2,-0.5 2,-0.5 -17,-0.2 -15,-0.2 -0.852 9.4-168.6-100.4 131.3 -29.1 -1.5 25.4 66 86 A I E -c 50 0A 33 -17,-2.5 -15,-2.4 -2,-0.5 2,-1.0 -0.979 15.2-147.2-123.7 121.3 -28.9 1.4 22.9 67 87 A L E +c 51 0A 98 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.777 55.1 108.5 -86.6 101.9 -29.4 0.9 19.1 68 88 A A S S- 0 0 28 -17,-1.6 2,-0.8 -2,-1.0 -15,-0.1 -0.984 77.0 -90.1-163.3 161.5 -27.1 3.5 17.6 69 89 A D > - 0 0 34 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 -0.807 35.6-151.3 -79.4 112.7 -23.9 4.3 15.7 70 90 A F G > S+ 0 0 5 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.816 92.6 58.4 -54.8 -35.6 -21.4 4.7 18.6 71 91 A L G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.715 116.7 32.0 -71.3 -23.2 -19.3 7.1 16.5 72 92 A L G < S+ 0 0 70 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.130 94.3 123.9-117.0 17.3 -22.2 9.5 16.0 73 93 A W < - 0 0 30 -3,-0.9 -3,-0.0 -4,-0.2 -5,-0.0 -0.632 41.5-165.6 -88.2 133.7 -23.9 8.9 19.4 74 94 A E - 0 0 159 -2,-0.3 -3,-0.0 59,-0.0 2,-0.0 -0.821 11.4-171.0-121.9 91.2 -24.5 11.7 21.8 75 95 A P - 0 0 26 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.280 28.4-123.4 -73.5 164.2 -25.4 10.4 25.4 76 96 A G S S+ 0 0 92 1,-0.1 2,-0.3 2,-0.1 0, 0.0 0.943 91.3 30.1 -71.8 -51.6 -26.7 12.6 28.2 77 97 A E S S- 0 0 100 1,-0.1 -1,-0.1 58,-0.0 2,-0.1 -0.748 82.3-115.1-111.7 156.8 -24.0 11.9 30.8 78 98 A A - 0 0 35 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.232 34.0-109.9 -80.4 175.9 -20.3 10.9 30.4 79 99 A F E - d 0 134A 0 54,-3.0 56,-2.7 51,-0.2 3,-0.1 -0.858 12.2-157.7-120.2 146.8 -18.8 7.5 31.5 80 100 A D E S+ 0 0 26 -58,-1.3 59,-2.8 -2,-0.3 2,-0.4 0.810 87.8 21.2 -84.5 -36.5 -16.4 6.3 34.2 81 101 A L E -bd 23 139A 0 -59,-2.2 -57,-2.8 57,-0.2 2,-0.4 -0.996 59.6-176.2-138.8 131.7 -15.3 3.2 32.4 82 102 A I E +bd 24 140A 0 57,-2.3 59,-2.6 -2,-0.4 2,-0.3 -0.997 19.2 161.4-124.3 127.3 -15.3 2.2 28.7 83 103 A L E + d 0 141A 0 -59,-2.3 2,-0.3 -2,-0.4 59,-0.2 -0.980 14.4 77.1-142.4 155.3 -14.2 -1.3 27.6 84 104 A G E - d 0 142A 1 57,-1.6 59,-1.4 -2,-0.3 -57,-0.1 -0.916 69.8 -60.6 147.9-168.8 -14.4 -3.7 24.7 85 105 A N - 0 0 23 -59,-0.3 59,-0.1 -2,-0.3 3,-0.1 -0.932 47.3-156.6-118.3 102.1 -13.4 -4.8 21.3 86 106 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 37,-0.1 -0.352 28.5 -95.6 -73.6 157.1 -14.1 -2.1 18.6 87 107 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.479 39.1-146.6 -68.9 145.6 -14.5 -3.0 14.9 88 108 A Y + 0 0 62 34,-0.2 2,-0.2 -2,-0.1 33,-0.0 -0.854 40.2 93.3-110.7 152.1 -11.3 -2.6 12.8 89 109 A G - 0 0 11 -2,-0.3 33,-2.4 10,-0.0 2,-0.3 -0.504 63.7 -91.1 143.5 151.9 -11.1 -1.6 9.1 90 110 A I - 0 0 40 31,-0.2 9,-1.8 -2,-0.2 2,-0.6 -0.701 37.9-125.8 -84.7 136.3 -10.6 1.2 6.6 91 111 A V B +i 99 0B 6 28,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.763 62.8 98.7 -82.4 116.8 -13.7 3.0 5.3 92 112 A G - 0 0 21 7,-2.0 9,-0.1 -2,-0.6 5,-0.0 -0.981 69.5 -23.0-177.1-175.8 -13.7 2.8 1.4 93 113 A E >> - 0 0 150 -2,-0.3 4,-3.3 1,-0.1 3,-1.9 -0.151 55.5-123.9 -52.7 136.8 -14.8 1.2 -1.8 94 114 A A T 34 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.710 106.6 63.1 -57.0 -28.1 -15.9 -2.5 -1.5 95 115 A S T 34 S+ 0 0 98 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.683 123.9 15.2 -71.8 -17.6 -13.4 -3.8 -4.1 96 116 A K T <4 S+ 0 0 160 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.653 122.7 47.9-126.6 -34.0 -10.5 -2.7 -1.9 97 117 A Y < - 0 0 70 -4,-3.3 -1,-0.2 1,-0.1 -6,-0.1 -0.858 61.9-139.5-124.9 152.8 -11.7 -2.0 1.7 98 118 A P S S+ 0 0 81 0, 0.0 2,-0.6 0, 0.0 -7,-0.1 0.669 79.7 77.6 -86.1 -19.9 -14.0 -3.8 4.2 99 119 A I B -i 91 0B 37 -9,-1.8 -7,-2.0 -6,-0.1 2,-0.6 -0.842 60.1-173.3-101.5 117.6 -16.0 -0.9 5.7 100 120 A H + 0 0 111 -2,-0.6 2,-0.3 -9,-0.2 -7,-0.1 -0.904 19.0 139.7-121.6 106.1 -18.9 0.3 3.5 101 121 A V - 0 0 60 -2,-0.6 5,-0.1 -9,-0.1 -2,-0.0 -0.912 57.4 -78.0-133.7 162.6 -21.0 3.3 4.3 102 122 A F >> - 0 0 176 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.253 42.1-117.2 -54.7 147.5 -22.5 6.2 2.3 103 123 A K H 3> S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.848 117.2 56.7 -55.4 -37.1 -20.0 9.0 1.4 104 124 A A H 3> S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.795 104.2 52.0 -65.9 -32.2 -22.1 11.3 3.5 105 125 A V H <> S+ 0 0 40 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.885 108.9 49.5 -70.9 -41.4 -21.7 9.1 6.6 106 126 A K H X S+ 0 0 46 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.836 107.4 55.7 -64.8 -34.6 -17.9 9.0 6.2 107 127 A D H X S+ 0 0 69 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.840 104.6 53.1 -64.1 -35.5 -18.1 12.8 5.9 108 128 A L H X S+ 0 0 87 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.832 109.2 49.5 -67.2 -34.4 -19.9 12.8 9.3 109 129 A Y H X S+ 0 0 12 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.934 109.9 49.5 -67.4 -49.3 -17.0 10.7 10.7 110 130 A K H < S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.2 6,-0.2 0.852 112.3 49.2 -57.7 -38.8 -14.3 13.1 9.3 111 131 A K H < S+ 0 0 180 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.6 46.0 -68.0 -39.5 -16.2 16.1 10.8 112 132 A A H < S+ 0 0 46 -4,-1.5 2,-0.6 -5,-0.1 -2,-0.2 0.808 105.7 64.2 -74.8 -32.1 -16.5 14.4 14.3 113 133 A F >< - 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