==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-OCT-06 2NP7 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 393 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.2 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 . 3 0.8 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 . 1 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 . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 19.1 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 0 2 0 0 1 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 3 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 3 1 1 1 0 2 0 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 . 2 1 1 0 0 0 0 1 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 0 163 0, 0.0 2,-0.3 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 12.6 -46.3 8.6 15.4 2 22 A E - 0 0 163 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.907 360.0-157.6-128.6 152.9 -45.3 11.3 12.9 3 23 A T - 0 0 22 -2,-0.3 173,-0.1 173,-0.0 82,-0.0 -0.999 31.5-113.8-127.4 128.1 -43.0 11.5 9.9 4 24 A P >> - 0 0 25 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.314 28.8-114.9 -58.8 144.2 -41.6 14.9 8.8 5 25 A P H 3> S+ 0 0 88 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.834 114.6 52.1 -51.2 -39.8 -42.9 16.0 5.3 6 26 A E H 3> S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 201,-0.3 0.787 107.6 51.2 -77.9 -18.2 -39.5 15.8 3.7 7 27 A V H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.907 111.6 48.4 -72.9 -46.5 -38.9 12.2 4.9 8 28 A V H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.946 112.4 48.9 -52.5 -50.9 -42.4 11.3 3.4 9 29 A D H X S+ 0 0 89 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.887 111.3 49.1 -61.4 -42.5 -41.5 13.1 0.2 10 30 A F H X S+ 0 0 5 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.939 112.5 47.9 -59.4 -48.1 -38.1 11.3 -0.0 11 31 A M H >X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.7 0.887 110.4 50.5 -64.9 -40.0 -39.7 7.9 0.6 12 32 A V H >< S+ 0 0 7 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.867 104.9 58.6 -65.9 -34.6 -42.5 8.4 -2.0 13 33 A S H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.723 108.5 46.7 -64.0 -23.6 -39.7 9.4 -4.5 14 34 A L H << S+ 0 0 22 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.604 97.2 96.4 -90.4 -16.2 -38.3 5.9 -3.9 15 35 A A << + 0 0 9 -4,-0.8 2,-0.3 -3,-0.7 66,-0.1 -0.461 46.7 176.3 -81.7 146.1 -41.6 4.1 -4.2 16 36 A E + 0 0 98 -2,-0.2 123,-0.3 64,-0.1 -3,-0.0 -0.993 6.2 167.4-145.9 149.1 -43.0 2.4 -7.3 17 37 A A - 0 0 22 -2,-0.3 2,-0.1 121,-0.1 3,-0.1 -0.974 37.0-109.2-153.2 145.2 -46.1 0.3 -8.2 18 38 A P > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 2,-0.1 -0.420 53.1 -86.8 -69.7 157.0 -47.7 -0.9 -11.4 19 39 A R T 3 S+ 0 0 191 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.433 122.2 26.3 -67.6 142.2 -50.9 0.8 -12.4 20 40 A G T 3 S+ 0 0 53 24,-3.1 -1,-0.3 1,-0.2 25,-0.2 0.413 99.9 151.6 80.9 1.2 -53.9 -0.9 -10.8 21 41 A G < - 0 0 2 -3,-2.1 25,-3.1 23,-0.5 2,-0.6 -0.148 52.3-112.5 -69.1 156.3 -51.3 -2.0 -8.2 22 42 A R E -a 46 0A 40 23,-0.2 59,-2.2 -3,-0.1 58,-1.7 -0.829 33.7-170.6 -94.1 118.9 -52.0 -2.7 -4.5 23 43 A V E -ab 47 81A 0 23,-2.8 25,-2.7 -2,-0.6 2,-0.4 -0.933 3.4-167.5-113.2 128.8 -50.4 -0.1 -2.2 24 44 A L E -ab 48 82A 0 57,-2.7 59,-2.6 -2,-0.4 25,-0.2 -0.962 18.0-168.7-126.5 133.6 -50.3 -0.7 1.6 25 45 A E E -a 49 0A 7 23,-2.4 25,-1.9 -2,-0.4 3,-0.5 -0.937 19.7-155.3-113.9 104.8 -49.6 1.6 4.6 26 46 A P E S+a 50 0A 1 0, 0.0 59,-0.4 0, 0.0 25,-0.1 -0.476 80.0 14.5 -72.3 151.9 -49.2 -0.6 7.8 27 47 A A S S+ 0 0 31 23,-0.7 24,-0.2 -2,-0.1 58,-0.2 0.936 88.3 165.2 49.9 53.4 -49.9 1.2 11.1 28 48 A C > + 0 0 2 22,-2.0 3,-2.9 -3,-0.5 5,-0.2 0.704 16.2 176.6 -84.4 -23.3 -51.4 4.0 9.0 29 49 A A T 3 S- 0 0 19 1,-0.3 29,-1.8 21,-0.2 -1,-0.2 -0.376 87.4 -4.0 46.3-115.4 -53.5 6.2 11.4 30 50 A H T 3 S- 0 0 92 27,-0.2 -1,-0.3 -2,-0.1 27,-0.1 0.453 104.3-115.2 -80.7 0.3 -54.7 8.9 8.9 31 51 A G <> + 0 0 0 -3,-2.9 4,-2.4 28,-0.1 5,-0.2 0.919 47.7 169.3 70.6 50.4 -52.7 7.4 6.1 32 52 A P H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.881 78.9 48.5 -62.8 -34.2 -50.1 10.1 5.3 33 53 A F H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 110.4 50.4 -71.5 -41.7 -48.0 7.8 3.0 34 54 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 114.5 46.1 -55.2 -46.2 -51.2 6.7 1.1 35 55 A R H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.933 114.0 46.6 -64.5 -48.9 -52.1 10.4 0.6 36 56 A A H X S+ 0 0 22 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.873 113.5 49.0 -62.4 -39.7 -48.6 11.4 -0.4 37 57 A F H X S+ 0 0 1 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.930 112.6 47.6 -66.2 -43.8 -48.3 8.5 -2.9 38 58 A R H X S+ 0 0 73 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.878 111.3 51.7 -64.2 -40.9 -51.7 9.3 -4.4 39 59 A E H < S+ 0 0 168 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.894 117.0 39.3 -57.5 -44.6 -50.8 13.0 -4.7 40 60 A A H < S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.905 131.8 22.0 -77.2 -43.8 -47.5 12.1 -6.5 41 61 A H H < S- 0 0 69 -4,-3.1 3,-0.3 1,-0.3 -3,-0.2 0.445 103.6-125.2-110.8 -3.0 -48.6 9.3 -8.7 42 62 A G < - 0 0 24 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.333 37.4 -54.4 89.0-166.9 -52.4 9.7 -9.0 43 63 A T S S+ 0 0 90 1,-0.2 2,-2.2 -2,-0.1 -1,-0.2 0.496 90.6 103.8 -98.7 -10.3 -55.5 7.6 -8.4 44 64 A A + 0 0 41 -3,-0.3 -24,-3.1 -6,-0.1 -23,-0.5 -0.279 67.0 80.6 -79.4 56.5 -55.0 4.4 -10.5 45 65 A Y S S- 0 0 25 -2,-2.2 2,-0.7 -25,-0.2 -23,-0.2 -0.951 80.7-111.6-144.4 165.2 -54.0 2.1 -7.6 46 66 A R E -a 22 0A 175 -25,-3.1 -23,-2.8 -2,-0.3 2,-0.4 -0.922 37.4-155.2-100.1 113.2 -55.8 0.1 -4.9 47 67 A F E +ac 23 63A 7 -2,-0.7 17,-3.4 15,-0.7 2,-0.4 -0.791 15.0 178.5 -98.4 129.1 -55.0 1.8 -1.5 48 68 A V E -ac 24 64A 4 -25,-2.7 -23,-2.4 -2,-0.4 2,-0.4 -0.981 6.7-173.0-128.5 135.4 -55.1 -0.2 1.8 49 69 A G E -ac 25 65A 0 15,-2.7 17,-2.2 -2,-0.4 2,-0.4 -0.999 8.2-157.4-127.0 136.4 -54.2 1.0 5.3 50 70 A V E +ac 26 66A 0 -25,-1.9 -22,-2.0 -2,-0.4 -23,-0.7 -0.955 17.4 170.4-115.0 131.8 -54.1 -1.2 8.4 51 71 A E E - c 0 67A 20 15,-2.3 17,-1.3 -2,-0.4 6,-0.1 -0.999 27.8-156.8-145.6 137.1 -54.5 0.3 11.9 52 72 A I S S+ 0 0 111 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.732 82.3 65.7 -88.0 -24.3 -54.9 -1.3 15.3 53 73 A D >> - 0 0 61 1,-0.1 3,-2.4 15,-0.1 4,-1.4 -0.891 66.9-157.9-108.3 105.4 -56.6 1.6 17.0 54 74 A P T 34 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.732 94.7 57.9 -53.0 -29.6 -60.1 2.4 15.6 55 75 A K T 34 S+ 0 0 188 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.608 108.7 46.5 -76.2 -15.8 -59.9 5.9 17.0 56 76 A A T <4 S+ 0 0 30 -3,-2.4 2,-0.4 -27,-0.0 -1,-0.2 0.737 86.7 98.7 -94.4 -29.8 -56.7 6.5 15.0 57 77 A L < + 0 0 43 -4,-1.4 -27,-0.2 -27,-0.1 2,-0.1 -0.467 40.9 152.7 -68.3 119.7 -57.9 5.1 11.6 58 78 A D + 0 0 106 -29,-1.8 -1,-0.1 -2,-0.4 -3,-0.0 -0.555 10.4 155.6-154.2 74.1 -58.9 8.0 9.4 59 79 A L - 0 0 32 -2,-0.1 -28,-0.1 4,-0.1 6,-0.1 -0.782 42.0-107.9-110.0 149.7 -58.7 7.4 5.7 60 80 A P > - 0 0 23 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.220 43.6 -95.0 -67.0 165.3 -60.5 9.1 2.7 61 81 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.769 120.1 67.2 -51.0 -32.2 -63.2 7.1 0.8 62 82 A W T 3 S+ 0 0 74 2,-0.1 -15,-0.7 -16,-0.0 2,-0.4 0.487 93.1 69.7 -73.5 -5.2 -60.6 6.0 -1.8 63 83 A A E < S-c 47 0A 13 -3,-2.1 2,-0.6 -17,-0.1 -15,-0.2 -0.919 78.8-128.7-113.0 140.0 -58.6 3.8 0.6 64 84 A E E -c 48 0A 112 -17,-3.4 -15,-2.7 -2,-0.4 2,-0.4 -0.790 26.4-155.2 -81.0 123.1 -59.7 0.5 2.2 65 85 A G E -c 49 0A 36 -2,-0.6 2,-0.4 -17,-0.2 -15,-0.2 -0.837 8.2-167.5 -99.4 135.5 -59.2 0.7 6.0 66 86 A I E -c 50 0A 31 -17,-2.2 -15,-2.3 -2,-0.4 2,-0.8 -0.988 14.4-146.4-123.9 132.9 -58.7 -2.5 8.0 67 87 A L E +c 51 0A 99 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.858 54.5 106.7 -98.9 100.8 -58.9 -2.6 11.8 68 88 A A S S- 0 0 27 -17,-1.3 2,-0.8 -2,-0.8 -15,-0.1 -0.989 79.5 -87.3-163.4 160.8 -56.3 -5.2 12.9 69 89 A D >> - 0 0 34 -2,-0.3 3,-1.7 1,-0.2 4,-1.2 -0.763 40.2-148.9 -72.6 110.3 -53.0 -6.0 14.4 70 90 A F G >4 S+ 0 0 5 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.874 94.8 58.5 -52.7 -38.8 -50.9 -5.7 11.2 71 91 A L G 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.706 115.5 33.7 -65.1 -22.8 -48.5 -8.4 12.6 72 92 A L G <4 S+ 0 0 69 -3,-1.7 -1,-0.2 2,-0.0 2,-0.2 0.418 94.7 113.2-110.8 -3.1 -51.3 -11.0 12.9 73 93 A W << - 0 0 30 -4,-1.2 -5,-0.0 -3,-0.5 -23,-0.0 -0.488 46.0-165.9 -76.7 133.6 -53.3 -9.8 9.8 74 94 A E - 0 0 145 -2,-0.2 -3,-0.0 59,-0.0 -1,-0.0 -0.877 6.8-160.5-123.2 98.2 -53.5 -12.1 6.8 75 95 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.270 25.2-124.2 -64.0 162.0 -54.8 -10.5 3.6 76 96 A G S S+ 0 0 93 1,-0.2 2,-0.3 2,-0.1 0, 0.0 0.837 94.6 32.2 -72.6 -32.4 -56.2 -12.6 0.8 77 97 A E S S- 0 0 106 1,-0.0 -1,-0.2 58,-0.0 58,-0.1 -0.952 81.9-118.5-133.1 143.7 -53.7 -11.2 -1.7 78 98 A A - 0 0 32 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.091 33.9-106.9 -72.9 176.8 -50.1 -9.8 -1.5 79 99 A F E - d 0 134A 1 54,-2.8 56,-2.6 51,-0.2 -56,-0.1 -0.802 11.3-155.0-120.5 148.5 -49.0 -6.3 -2.3 80 100 A D E S+ 0 0 23 -58,-1.7 59,-2.4 -2,-0.3 2,-0.4 0.846 90.6 18.1 -80.2 -40.7 -47.1 -4.4 -5.0 81 101 A L E -bd 23 139A 0 -59,-2.2 -57,-2.7 57,-0.2 2,-0.4 -0.999 60.2-176.6-139.4 130.7 -46.0 -1.6 -2.7 82 102 A I E +bd 24 140A 0 57,-2.4 59,-2.7 -2,-0.4 2,-0.3 -0.997 19.1 163.0-126.0 125.2 -45.7 -1.3 1.0 83 103 A L E + d 0 141A 0 -59,-2.6 2,-0.3 -2,-0.4 59,-0.2 -0.972 13.0 82.1-139.1 157.5 -44.7 1.9 2.6 84 104 A G E - d 0 142A 0 57,-2.1 59,-1.6 -2,-0.3 -57,-0.1 -0.952 68.0 -68.6 151.6-165.3 -44.7 3.7 5.9 85 105 A N - 0 0 33 -59,-0.4 59,-0.1 -2,-0.3 57,-0.1 -0.879 48.5-153.4-128.0 92.3 -43.3 4.4 9.3 86 106 A P - 0 0 5 0, 0.0 37,-0.1 0, 0.0 -59,-0.1 -0.246 24.2 -97.3 -70.4 159.5 -43.8 1.3 11.6 87 107 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.330 40.2-154.1 -67.2 156.5 -44.0 1.5 15.4 88 108 A Y + 0 0 113 34,-0.2 2,-0.2 35,-0.1 33,-0.0 -0.907 34.1 95.8-128.6 157.4 -40.9 0.7 17.4 89 109 A G - 0 0 6 -2,-0.3 33,-2.4 10,-0.0 2,-0.4 -0.443 64.9 -83.5 139.2 152.9 -40.1 -0.6 20.9 90 110 A I - 0 0 40 31,-0.2 9,-2.0 -2,-0.2 2,-0.7 -0.679 38.3-129.5 -81.1 129.5 -39.3 -3.7 22.9 91 111 A V B +i 99 0B 4 28,-0.5 2,-0.3 -2,-0.4 9,-0.2 -0.728 62.1 95.1 -76.6 114.9 -42.3 -5.9 23.9 92 112 A G S S- 0 0 24 7,-1.9 9,-0.1 -2,-0.7 5,-0.0 -0.980 72.3 -23.7-178.4-172.5 -41.9 -6.5 27.6 93 113 A E >> - 0 0 141 -2,-0.3 4,-2.9 1,-0.1 3,-2.0 -0.211 54.9-126.0 -56.6 134.4 -42.8 -5.6 31.3 94 114 A A T 34 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.2 6,-0.0 0.691 103.6 69.4 -58.8 -25.1 -43.8 -2.0 31.7 95 115 A S T 34 S+ 0 0 96 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.730 124.1 9.1 -63.7 -19.3 -41.2 -1.3 34.4 96 116 A K T <4 S+ 0 0 158 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.613 123.9 51.3-134.2 -31.4 -38.5 -1.6 31.8 97 117 A Y < - 0 0 72 -4,-2.9 -1,-0.3 1,-0.1 -6,-0.1 -0.883 61.9-140.3-123.8 150.5 -40.0 -1.8 28.2 98 118 A P S S+ 0 0 82 0, 0.0 2,-0.7 0, 0.0 -7,-0.1 0.680 78.0 78.8 -83.6 -20.7 -42.6 0.4 26.4 99 119 A I B -i 91 0B 37 -9,-2.0 -7,-1.9 -6,-0.1 2,-0.7 -0.816 59.3-169.8-102.7 114.8 -44.7 -2.1 24.4 100 120 A H + 0 0 116 -2,-0.7 2,-0.3 -9,-0.2 -7,-0.1 -0.872 18.0 150.7-112.5 107.6 -47.3 -4.0 26.5 101 121 A V - 0 0 52 -2,-0.7 2,-0.1 -9,-0.1 -2,-0.0 -0.904 50.9 -89.7-127.4 160.1 -49.1 -7.0 25.1 102 122 A F >> - 0 0 176 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 -0.415 40.1-116.7 -63.2 144.3 -50.7 -10.1 26.5 103 123 A K H 3> S+ 0 0 151 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.840 116.7 59.4 -53.5 -36.8 -48.2 -13.0 26.7 104 124 A A H 3> S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.869 104.5 50.1 -58.6 -39.2 -50.4 -14.9 24.3 105 125 A V H <> S+ 0 0 36 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.911 110.3 48.6 -67.5 -45.1 -49.9 -12.1 21.7 106 126 A K H X S+ 0 0 49 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.909 110.3 52.5 -63.0 -40.1 -46.1 -12.1 22.2 107 127 A D H X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.893 109.0 50.1 -59.2 -40.4 -46.1 -16.0 21.8 108 128 A L H X S+ 0 0 85 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.873 109.4 51.9 -66.5 -36.1 -48.1 -15.5 18.5 109 129 A Y H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.921 108.9 48.7 -62.9 -45.6 -45.5 -13.0 17.4 110 130 A K H < S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.855 112.4 50.1 -66.7 -34.8 -42.6 -15.3 18.0 111 131 A K H < S+ 0 0 179 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.873 113.3 45.7 -64.8 -41.4 -44.4 -18.1 16.2 112 132 A A H < S+ 0 0 42 -4,-2.0 2,-0.6 1,-0.1 -2,-0.2 0.770 105.7 64.7 -75.7 -26.6 -45.1 -15.8 13.1 113 133 A F >< - 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