==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 23-OCT-00 1G38 . COMPND 2 MOLECULE: 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.GOEDECKE,M.PIGNOT,R.S.GOODY,A.J.SCHEIDIG,E.WEINHOLD . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 67.2 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 . 115 14.6 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 . 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 . 73 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 19.3 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 1 3 1 1 3 1 7 3 1 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 3 4 1 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 6 4 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,-0.3 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 114.0 -15.7 -11.9 15.6 2 22 A E - 0 0 157 30,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.940 360.0-124.0-132.3 153.5 -15.3 -13.0 19.3 3 23 A T - 0 0 26 -2,-0.3 5,-0.1 173,-0.1 173,-0.1 -0.878 35.5-110.6-102.1 123.8 -12.7 -12.1 21.9 4 24 A P >> - 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.163 25.7-119.6 -50.8 139.5 -10.9 -15.1 23.5 5 25 A P H 3> S+ 0 0 89 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.887 112.7 52.0 -48.2 -49.1 -11.8 -15.6 27.2 6 26 A E H 3> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 201,-0.4 0.797 108.4 52.1 -62.9 -28.7 -8.3 -15.1 28.5 7 27 A V H <> S+ 0 0 1 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.935 111.6 45.5 -71.8 -46.3 -8.0 -11.8 26.6 8 28 A V H X S+ 0 0 10 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.941 113.6 50.1 -60.1 -47.5 -11.3 -10.6 28.1 9 29 A D H X S+ 0 0 101 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.927 110.7 49.2 -57.1 -47.8 -10.2 -11.8 31.6 10 30 A F H < S+ 0 0 7 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.926 113.8 46.3 -58.3 -46.1 -6.8 -10.0 31.2 11 31 A M H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.6 0.884 110.3 52.4 -64.7 -39.8 -8.6 -6.8 30.1 12 32 A V H >< S+ 0 0 7 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.857 102.8 59.8 -64.8 -32.8 -11.1 -7.0 33.0 13 33 A S T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.665 106.9 47.8 -68.8 -15.7 -8.2 -7.4 35.4 14 34 A L T <4 S+ 0 0 21 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.533 94.7 97.5 -99.6 -11.2 -7.0 -4.0 34.2 15 35 A A << - 0 0 3 -3,-0.8 2,-0.3 -4,-0.6 66,-0.1 -0.462 47.4-180.0 -83.3 153.0 -10.4 -2.3 34.5 16 36 A E + 0 0 119 -2,-0.1 123,-0.2 64,-0.1 -2,-0.0 -0.991 5.7 169.7-148.8 149.9 -11.5 -0.1 37.4 17 37 A A - 0 0 22 -2,-0.3 2,-0.1 121,-0.1 3,-0.1 -0.975 33.6-109.3-160.2 145.6 -14.7 1.8 38.2 18 38 A P > - 0 0 71 0, 0.0 3,-2.6 0, 0.0 62,-0.1 -0.441 53.8 -80.8 -77.0 155.3 -16.1 3.6 41.2 19 39 A R T 3 S+ 0 0 217 1,-0.3 26,-0.2 -2,-0.1 3,-0.1 -0.289 121.7 13.5 -54.1 132.6 -19.1 2.1 43.0 20 40 A G T 3 S+ 0 0 54 24,-3.0 -1,-0.3 1,-0.2 25,-0.2 0.604 98.5 150.9 74.2 10.9 -22.2 3.1 41.1 21 41 A G < - 0 0 3 -3,-2.6 25,-3.1 23,-0.4 2,-0.6 -0.272 53.0-104.3 -74.0 162.2 -20.1 4.2 38.2 22 42 A R E -a 46 0A 21 23,-0.2 59,-1.9 56,-0.1 58,-1.8 -0.792 36.7-168.8 -91.4 119.9 -21.2 4.1 34.6 23 43 A V E -ab 47 81A 0 23,-2.8 25,-3.0 -2,-0.6 2,-0.4 -0.924 5.3-169.2-111.7 132.8 -19.7 1.1 32.7 24 44 A L E -ab 48 82A 0 57,-2.7 59,-2.2 -2,-0.4 25,-0.2 -0.951 19.2-167.8-129.5 141.4 -19.9 0.9 28.9 25 45 A E E > -a 49 0A 6 23,-2.1 25,-1.9 -2,-0.4 3,-0.7 -0.923 19.1-154.1-123.8 104.8 -19.2 -1.7 26.1 26 46 A P E 3 S+a 50 0A 1 0, 0.0 59,-0.3 0, 0.0 25,-0.1 -0.494 80.5 13.3 -76.9 150.8 -19.3 -0.2 22.6 27 47 A A T 3 S+ 0 0 33 23,-1.3 24,-0.2 -2,-0.1 58,-0.2 0.928 88.0 161.3 49.6 49.5 -20.1 -2.5 19.7 28 48 A C X + 0 0 2 22,-1.6 3,-2.7 -3,-0.7 2,-0.4 0.782 16.4 176.6 -72.9 -36.0 -21.2 -4.9 22.4 29 49 A A T 3 S- 0 0 28 1,-0.3 29,-1.9 21,-0.2 -1,-0.2 -0.487 87.0 -3.9 61.1-115.1 -23.5 -7.5 20.6 30 50 A H T 3 S- 0 0 92 -2,-0.4 -1,-0.3 27,-0.2 27,-0.1 0.480 106.5-114.0 -86.6 0.7 -24.3 -9.8 23.5 31 51 A G <> + 0 0 0 -3,-2.7 4,-1.7 28,-0.1 5,-0.2 0.979 44.9 173.5 70.5 62.0 -21.9 -7.9 25.8 32 52 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.883 81.3 48.0 -66.2 -37.8 -19.0 -10.2 26.7 33 53 A F H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.897 109.2 50.3 -71.7 -40.6 -17.2 -7.5 28.5 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.916 112.6 49.0 -63.7 -40.9 -20.1 -6.2 30.6 35 55 A R H X S+ 0 0 89 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.935 113.3 45.6 -63.1 -47.7 -20.8 -9.8 31.7 36 56 A A H X S+ 0 0 22 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.863 113.1 49.0 -65.8 -38.5 -17.2 -10.5 32.7 37 57 A F H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.922 112.6 48.5 -67.1 -43.6 -16.7 -7.2 34.6 38 58 A R H X S+ 0 0 54 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.880 110.9 50.0 -62.9 -40.9 -20.0 -7.8 36.5 39 59 A E H < S+ 0 0 158 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.803 119.3 38.7 -68.8 -29.0 -19.0 -11.3 37.4 40 60 A A H < S+ 0 0 65 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.839 130.2 24.4 -91.0 -36.9 -15.6 -10.1 38.6 41 61 A H H < S- 0 0 77 -4,-3.4 3,-0.2 1,-0.3 -3,-0.2 0.493 106.5-112.7-109.8 -4.2 -16.5 -6.8 40.3 42 62 A G < - 0 0 31 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.568 33.1 -72.6 107.4-171.7 -20.1 -7.2 41.3 43 63 A T S S+ 0 0 87 -2,-0.2 2,-2.3 1,-0.1 -1,-0.1 0.405 89.5 108.2-109.5 -0.3 -23.4 -5.6 40.3 44 64 A G + 0 0 32 -3,-0.2 -24,-3.0 -6,-0.1 -23,-0.4 -0.309 65.4 82.8 -77.6 59.0 -23.0 -2.2 41.9 45 65 A Y S S- 0 0 44 -2,-2.3 2,-0.8 -25,-0.2 -23,-0.2 -0.964 82.6-110.3-152.1 162.6 -22.5 -0.4 38.6 46 66 A R E -a 22 0A 117 -25,-3.1 -23,-2.8 -2,-0.3 2,-0.5 -0.862 38.4-156.1-101.9 103.1 -24.6 1.1 35.8 47 67 A F E +a 23 0A 7 -2,-0.8 17,-2.9 15,-0.5 2,-0.4 -0.683 15.2 177.8 -87.1 125.1 -24.0 -1.2 32.8 48 68 A V E -ac 24 64A 2 -25,-3.0 -23,-2.1 -2,-0.5 2,-0.4 -0.968 8.4-171.4-127.8 141.9 -24.5 0.2 29.3 49 69 A G E -ac 25 65A 0 15,-3.0 17,-2.2 -2,-0.4 2,-0.5 -0.989 6.8-158.6-132.0 140.2 -24.1 -1.4 25.9 50 70 A V E +ac 26 66A 1 -25,-1.9 -22,-1.6 -2,-0.4 -23,-1.3 -0.979 18.3 165.6-123.3 124.0 -24.2 0.1 22.4 51 71 A E E - c 0 67A 22 15,-2.6 17,-1.5 -2,-0.5 18,-0.1 -0.997 26.3-161.1-137.9 140.1 -24.8 -1.9 19.3 52 72 A I S S+ 0 0 106 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.724 78.2 70.0 -92.5 -25.5 -25.8 -0.9 15.7 53 73 A D >> - 0 0 59 1,-0.1 3,-1.7 15,-0.1 4,-1.5 -0.851 66.3-157.7 -99.4 112.4 -27.1 -4.2 14.5 54 74 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.816 93.7 59.7 -55.9 -33.4 -30.4 -5.1 16.1 55 75 A K T 34 S+ 0 0 187 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.738 109.5 45.1 -68.4 -20.6 -29.9 -8.8 15.3 56 76 A A T <4 S+ 0 0 31 -3,-1.7 2,-0.4 -27,-0.0 -1,-0.2 0.746 86.0 98.4 -94.1 -28.2 -26.7 -8.6 17.4 57 77 A L < + 0 0 42 -4,-1.5 -27,-0.2 1,-0.1 8,-0.0 -0.491 38.8 143.7 -66.7 118.5 -27.9 -6.7 20.4 58 78 A D + 0 0 111 -29,-1.9 -1,-0.1 -2,-0.4 -3,-0.0 -0.469 17.2 161.4-158.0 74.5 -28.7 -9.3 23.2 59 79 A L - 0 0 29 1,-0.1 -28,-0.1 4,-0.1 6,-0.1 -0.592 43.7 -98.1 -98.8 158.7 -27.8 -8.1 26.7 60 80 A P > - 0 0 15 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.308 42.0-104.7 -68.1 160.5 -29.0 -9.4 30.0 61 81 A P T 3 S+ 0 0 137 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.710 117.3 65.4 -61.0 -19.7 -31.9 -7.5 31.7 62 82 A W T 3 S+ 0 0 79 2,-0.1 -15,-0.5 -16,-0.0 2,-0.3 0.519 95.4 69.9 -82.1 -3.0 -29.5 -5.8 34.1 63 83 A A S < S- 0 0 16 -3,-1.9 2,-0.6 -17,-0.1 -15,-0.2 -0.828 83.3-120.9-113.3 154.0 -27.7 -3.9 31.4 64 84 A E E -c 48 0A 87 -17,-2.9 -15,-3.0 -2,-0.3 2,-0.5 -0.834 25.4-154.5 -97.1 117.1 -29.0 -1.1 29.2 65 85 A G E -c 49 0A 40 -2,-0.6 2,-0.5 -17,-0.2 -15,-0.2 -0.777 9.6-170.9 -94.9 131.5 -29.0 -1.8 25.5 66 86 A I E -c 50 0A 34 -17,-2.2 -15,-2.6 -2,-0.5 2,-0.9 -0.975 15.4-147.4-125.6 121.9 -28.8 1.0 23.0 67 87 A L E +c 51 0A 103 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.773 53.6 106.0 -88.4 106.3 -29.3 0.6 19.2 68 88 A A S S- 0 0 29 -17,-1.5 2,-0.8 -2,-0.9 -15,-0.1 -0.982 78.0 -87.4-171.3 162.2 -27.0 3.2 17.6 69 89 A D > - 0 0 33 -2,-0.3 3,-1.3 1,-0.2 4,-0.4 -0.736 39.4-148.2 -78.4 114.1 -23.9 3.8 15.6 70 90 A F G > S+ 0 0 6 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.872 92.3 59.1 -53.1 -42.4 -21.4 4.2 18.5 71 91 A L G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.713 115.2 33.9 -63.1 -22.7 -19.2 6.7 16.5 72 92 A L G < S+ 0 0 68 -3,-1.3 -1,-0.3 2,-0.0 2,-0.2 0.234 91.8 127.0-114.7 11.3 -22.1 9.2 16.1 73 93 A W < - 0 0 26 -3,-1.2 -3,-0.0 -4,-0.4 -5,-0.0 -0.500 40.1-166.8 -74.7 133.0 -23.7 8.4 19.5 74 94 A E - 0 0 149 -2,-0.2 -1,-0.1 59,-0.0 -3,-0.0 -0.760 10.0-174.0-123.6 86.3 -24.5 11.3 21.8 75 95 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.193 31.1-122.9 -71.3 168.5 -25.3 10.1 25.3 76 96 A G S S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.841 91.8 31.1 -82.0 -33.2 -26.5 12.5 28.1 77 97 A E S S- 0 0 97 1,-0.0 -1,-0.1 58,-0.0 2,-0.1 -0.902 79.7-118.5-127.0 154.1 -23.7 11.6 30.5 78 98 A A - 0 0 33 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.292 33.3-115.7 -81.5 171.7 -20.1 10.5 30.2 79 99 A F E - d 0 134A 0 54,-2.6 56,-2.7 51,-0.2 -56,-0.1 -0.783 8.4-149.0-115.4 157.8 -18.7 7.2 31.6 80 100 A D E S+ 0 0 24 -58,-1.8 59,-2.7 1,-0.3 2,-0.4 0.766 89.6 24.3 -88.5 -29.8 -16.3 6.1 34.2 81 101 A L E -bd 23 139A 0 -59,-1.9 -57,-2.7 57,-0.2 2,-0.4 -0.992 58.2-178.6-143.0 131.8 -15.2 2.9 32.4 82 102 A I E +bd 24 140A 0 57,-2.1 59,-2.6 -2,-0.4 2,-0.3 -0.991 17.6 161.5-130.6 120.3 -15.2 1.9 28.7 83 103 A L E + d 0 141A 0 -59,-2.2 2,-0.3 -2,-0.4 59,-0.2 -0.977 15.8 92.7-138.6 151.9 -14.0 -1.5 27.7 84 104 A G E - d 0 142A 0 57,-1.8 59,-1.1 -2,-0.3 -57,-0.1 -0.933 66.6 -79.0 155.7-178.4 -14.4 -3.7 24.7 85 105 A N - 0 0 20 -59,-0.3 59,-0.1 -2,-0.3 3,-0.1 -0.914 44.6-153.8-120.7 99.8 -13.2 -4.9 21.3 86 106 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 37,-0.1 -0.315 28.3 -94.8 -71.8 154.6 -14.0 -2.4 18.6 87 107 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.466 40.6-144.7 -70.0 141.9 -14.4 -3.5 15.0 88 108 A Y + 0 0 59 34,-0.2 2,-0.2 -2,-0.1 33,-0.0 -0.790 41.1 93.8-106.4 152.5 -11.2 -3.1 12.9 89 109 A G - 0 0 10 -2,-0.3 33,-2.5 9,-0.0 2,-0.3 -0.504 64.4 -88.3 141.9 149.3 -11.0 -2.1 9.2 90 110 A I - 0 0 40 31,-0.2 9,-2.3 -2,-0.2 2,-0.7 -0.654 37.5-128.3 -84.5 136.3 -10.7 0.6 6.6 91 111 A V B +i 99 0B 5 28,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.776 61.1 104.2 -85.4 117.0 -13.8 2.4 5.4 92 112 A G S S- 0 0 21 7,-2.2 9,-0.0 -2,-0.7 5,-0.0 -0.990 70.7 -32.3-174.6 178.7 -13.8 2.2 1.6 93 113 A E >> - 0 0 145 -2,-0.3 4,-3.3 1,-0.1 3,-2.1 -0.215 56.8-125.1 -49.5 131.0 -15.0 0.7 -1.7 94 114 A A T 34 S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.668 104.1 69.0 -55.6 -23.4 -15.9 -3.0 -1.2 95 115 A S T 34 S+ 0 0 93 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.695 123.2 11.1 -72.0 -15.8 -13.5 -4.2 -4.0 96 116 A K T <4 S+ 0 0 156 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.617 124.7 50.2-131.0 -31.6 -10.6 -3.2 -1.9 97 117 A Y < - 0 0 72 -4,-3.3 -1,-0.2 1,-0.1 -6,-0.1 -0.832 62.8-138.0-119.3 155.4 -11.7 -2.4 1.7 98 118 A P S S+ 0 0 79 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 0.769 79.6 74.9 -79.1 -31.3 -13.9 -4.1 4.3 99 119 A I B -i 91 0B 36 -9,-2.3 -7,-2.2 -6,-0.1 2,-0.6 -0.784 61.5-171.1 -94.3 117.6 -16.1 -1.3 5.8 100 120 A H + 0 0 108 -2,-0.7 2,-0.3 -9,-0.2 -7,-0.1 -0.914 20.3 137.6-114.3 116.5 -18.9 -0.2 3.5 101 121 A V - 0 0 61 -2,-0.6 5,-0.1 -9,-0.0 -2,-0.0 -0.956 57.7 -74.5-148.3 164.0 -21.0 2.8 4.3 102 122 A F >> - 0 0 173 -2,-0.3 4,-2.1 1,-0.1 3,-1.2 -0.322 41.5-122.8 -59.1 141.4 -22.6 5.8 2.5 103 123 A K H 3> S+ 0 0 149 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.877 114.4 59.9 -53.0 -38.6 -20.0 8.5 1.6 104 124 A A H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.832 105.0 48.7 -60.1 -33.0 -22.2 10.9 3.6 105 125 A V H <> S+ 0 0 36 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.922 109.6 49.9 -72.9 -44.8 -21.7 8.7 6.7 106 126 A K H X S+ 0 0 49 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.867 108.3 55.7 -61.0 -34.3 -17.9 8.5 6.2 107 127 A D H X S+ 0 0 60 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.917 104.8 52.3 -62.8 -41.9 -18.1 12.3 5.9 108 128 A L H X S+ 0 0 88 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.872 108.4 50.6 -62.6 -36.8 -19.8 12.4 9.3 109 129 A Y H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.946 109.2 50.8 -66.2 -45.8 -17.0 10.3 10.8 110 130 A K H < S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 111.3 48.7 -56.5 -44.0 -14.4 12.7 9.4 111 131 A K H < S+ 0 0 182 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 114.0 46.5 -64.8 -36.7 -16.2 15.6 10.8 112 132 A A H < S+ 0 0 46 -4,-2.0 2,-0.6 -5,-0.2 -2,-0.2 0.735 103.6 66.1 -80.8 -22.5 -16.5 14.0 14.2 113 133 A F >< - 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