==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-APR-11 3RQ1 . COMPND 2 MOLECULE: AMINOTRANSFERASE CLASS I AND II; . SOURCE 2 ORGANISM_SCIENTIFIC: VEILLONELLA PARVULA; . AUTHOR Y.KIM,C.HATZOS-SKINTGES,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER . 1633 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1234 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 139 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 607 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 3 8 1 1 7 2 3 5 6 4 4 3 6 0 2 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 1 4 3 0 4 4 4 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 . 8 3 1 0 4 4 4 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 . 3 4 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 2 A T 0 0 106 0, 0.0 2,-0.4 0, 0.0 1111,-0.2 0.000 360.0 360.0 360.0 -45.1 -25.2 11.4 99.7 2 3 A S + 0 0 38 1,-0.1 1107,-0.1 7,-0.1 7,-0.0 -0.918 360.0 155.7-136.2 117.2 -27.0 8.4 98.0 3 4 A V + 0 0 5 -2,-0.4 -1,-0.1 1106,-0.1 3,-0.1 0.598 48.3 109.7 -98.8 -14.1 -27.4 7.5 94.3 4 5 A A S S- 0 0 3 1,-0.1 944,-0.2 1105,-0.1 5,-0.1 -0.086 82.1 -82.1 -63.7 156.6 -27.9 3.7 94.6 5 6 A A >> - 0 0 1 942,-3.0 3,-2.2 1,-0.1 4,-1.6 -0.202 45.8-105.5 -58.2 148.7 -31.2 2.0 94.0 6 7 A K T 34 S+ 0 0 169 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.837 119.8 47.0 -47.0 -45.9 -33.7 2.1 96.9 7 8 A H T 34 S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.0 136,-0.1 0.514 112.3 52.5 -72.1 -17.0 -33.2 -1.6 97.9 8 9 A A T X4 S+ 0 0 0 -3,-2.2 3,-1.8 939,-0.2 -1,-0.2 0.752 82.0 106.0 -85.5 -35.3 -29.4 -1.3 97.7 9 10 A K T 3< S+ 0 0 98 -4,-1.6 3,-0.1 1,-0.2 -7,-0.1 -0.192 80.2 22.2 -66.7 142.6 -28.9 1.7 100.0 10 11 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 1102,-0.0 -2,-0.1 0.024 81.1 145.7 96.6 -21.7 -27.4 1.2 103.5 11 12 A K < + 0 0 33 -3,-1.8 -1,-0.3 130,-0.1 2,-0.3 -0.207 15.5 159.3 -53.8 123.2 -25.9 -2.1 102.6 12 13 A K - 0 0 148 -3,-0.1 2,-0.3 1104,-0.1 1104,-0.1 -0.828 33.3-140.9-143.3 120.0 -22.6 -2.4 104.5 13 14 A L - 0 0 27 1102,-0.3 2,-0.8 -2,-0.3 1106,-0.0 -0.549 5.1-158.1 -71.5 131.3 -20.8 -5.7 105.2 14 15 A K - 0 0 195 -2,-0.3 2,-0.9 0, 0.0 -1,-0.1 -0.929 23.6-162.8-102.0 107.0 -19.3 -5.8 108.7 15 16 A D > + 0 0 29 -2,-0.8 4,-0.8 1,-0.2 -2,-0.0 -0.736 25.0 167.1-110.9 104.0 -16.8 -8.4 107.8 16 17 A V H > + 0 0 67 -2,-0.9 4,-2.1 1,-0.2 5,-0.3 0.891 67.6 60.6 -82.7 -41.7 -15.3 -10.2 110.7 17 18 A I H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 109.6 37.7 -57.0 -51.3 -13.6 -13.2 109.1 18 19 A F H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.759 113.1 55.5 -81.2 -23.0 -11.2 -11.4 106.7 19 20 A V H X S+ 0 0 89 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.943 113.2 41.6 -73.0 -49.7 -10.3 -8.5 109.1 20 21 A T H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 114.0 53.7 -54.5 -48.4 -9.2 -11.0 111.8 21 22 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.896 107.6 51.0 -59.8 -43.5 -7.5 -13.1 109.2 22 23 A G H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.941 107.7 51.9 -57.4 -51.0 -5.5 -10.1 108.0 23 24 A Q H X S+ 0 0 81 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.885 110.4 50.0 -50.0 -40.6 -4.3 -9.2 111.5 24 25 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.966 108.0 51.4 -67.4 -50.5 -3.1 -12.9 111.9 25 26 A Q H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.923 112.0 46.8 -52.7 -46.0 -1.1 -12.9 108.7 26 27 A A H X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.862 111.4 51.3 -67.3 -37.5 0.7 -9.7 109.6 27 28 A D H X S+ 0 0 17 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.963 114.7 43.6 -59.7 -48.3 1.4 -10.9 113.1 28 29 A A H X S+ 0 0 6 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.796 111.2 53.6 -71.3 -32.1 2.9 -14.1 111.6 29 30 A K H < S+ 0 0 185 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.946 117.9 36.6 -66.5 -49.4 4.8 -12.4 108.9 30 31 A E H < S+ 0 0 150 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.978 132.4 26.0 -62.7 -58.5 6.5 -10.1 111.4 31 32 A N H < S- 0 0 80 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.313 117.8 -92.6 -97.1 3.0 7.0 -12.6 114.3 32 33 A G >< - 0 0 22 -4,-1.4 3,-1.1 -5,-0.2 -1,-0.2 0.271 27.4-100.2 94.6 145.7 7.1 -15.9 112.5 33 34 A R G > S+ 0 0 98 1,-0.3 3,-1.2 2,-0.2 5,-0.2 0.809 119.3 60.1 -66.5 -31.3 4.3 -18.4 111.6 34 35 A E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.565 99.7 58.0 -79.3 -12.2 5.3 -20.6 114.6 35 36 A N G < S+ 0 0 96 -3,-1.1 2,-0.4 -7,-0.1 -1,-0.3 0.165 98.0 67.3 -97.3 7.8 4.6 -17.8 117.1 36 37 A V < - 0 0 5 -3,-1.2 2,-1.1 -8,-0.1 340,-0.2 -0.989 68.7-141.8-132.3 132.5 0.9 -17.1 116.1 37 38 A V E -a 376 0A 20 338,-2.8 340,-3.3 -2,-0.4 2,-0.9 -0.770 23.7-170.2 -90.6 109.3 -2.1 -19.3 116.6 38 39 A N E +a 377 0A 23 -2,-1.1 340,-0.1 353,-0.4 338,-0.1 -0.793 24.8 154.6-109.3 100.8 -4.1 -18.6 113.4 39 40 A G + 0 0 0 338,-2.7 349,-1.2 -2,-0.9 340,-0.5 -0.274 46.3 101.9-108.1 26.0 -7.5 -20.2 113.8 40 41 A T + 0 0 2 338,-0.2 2,-0.2 347,-0.1 339,-0.1 0.946 66.2 40.8 -82.8 -66.4 -9.0 -17.7 111.3 41 42 A L S S- 0 0 28 347,-0.1 2,-2.4 1,-0.1 -1,-0.1 -0.567 74.4-115.5-102.2 153.4 -9.6 -19.1 107.7 42 43 A G S S+ 0 0 4 -2,-0.2 2,-0.4 348,-0.1 -1,-0.1 -0.074 77.0 117.0 -72.0 31.1 -10.8 -22.4 106.3 43 44 A A - 0 0 6 -2,-2.4 2,-0.4 312,-0.1 -2,-0.1 -0.918 66.6-117.3-101.2 143.3 -7.5 -23.2 104.7 44 45 A I - 0 0 0 -2,-0.4 8,-2.3 8,-0.2 2,-0.4 -0.578 27.4-175.1 -76.8 126.1 -5.3 -26.2 105.7 45 46 A H B -B 51 0B 24 345,-2.6 6,-0.2 -2,-0.4 347,-0.2 -0.953 21.3-129.2-113.3 146.0 -1.8 -25.6 107.1 46 47 A D > - 0 0 33 4,-2.6 3,-3.2 -2,-0.4 4,-0.1 -0.171 44.4 -74.2 -83.2-177.4 0.5 -28.5 107.8 47 48 A E T 3 S+ 0 0 56 1,-0.3 348,-0.2 2,-0.1 -1,-0.1 0.570 133.1 52.0 -60.4 -12.9 2.4 -29.3 111.0 48 49 A E T 3 S- 0 0 140 2,-0.1 -1,-0.3 345,-0.0 3,-0.1 0.394 121.1-102.6 -98.4 -1.9 4.8 -26.5 110.2 49 50 A G S < S+ 0 0 8 -3,-3.2 2,-0.4 1,-0.3 -2,-0.1 0.602 74.6 143.6 87.2 11.4 2.2 -23.8 109.6 50 51 A N - 0 0 89 -4,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.717 57.3-112.0 -88.1 132.8 2.5 -24.0 105.9 51 52 A L B -B 45 0B 31 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.321 36.6-128.9 -52.2 137.7 -0.5 -23.5 103.6 52 53 A V + 0 0 7 -8,-2.3 2,-0.4 848,-0.1 -8,-0.2 -0.875 32.1 172.0 -99.4 124.3 -1.1 -26.9 101.9 53 54 A F - 0 0 12 -2,-0.5 5,-0.1 209,-0.1 208,-0.1 -0.921 44.5-113.9-126.8 109.7 -1.5 -27.1 98.1 54 55 A L >> - 0 0 3 -2,-0.4 4,-2.8 206,-0.2 3,-0.6 -0.042 16.2-134.0 -61.7 132.3 -1.6 -30.7 97.3 55 56 A K H 3> S+ 0 0 114 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.899 104.4 47.5 -52.9 -53.8 1.4 -31.9 95.3 56 57 A T H 3> S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.855 115.3 47.5 -58.4 -33.3 -0.6 -33.9 92.7 57 58 A V H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.960 113.2 46.3 -72.8 -46.1 -3.0 -31.0 92.3 58 59 A K H X S+ 0 0 64 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.886 108.9 54.4 -60.6 -44.3 -0.3 -28.2 91.9 59 60 A E H X S+ 0 0 125 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.882 111.8 44.4 -62.6 -37.4 1.8 -30.2 89.5 60 61 A E H < S+ 0 0 18 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.858 112.9 51.4 -71.4 -37.3 -1.1 -30.7 87.1 61 62 A Y H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.882 113.8 42.7 -68.8 -39.7 -2.3 -27.0 87.4 62 63 A L H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 109.5 59.1 -81.3 -19.2 1.2 -25.6 86.6 63 64 A S T 3< S+ 0 0 81 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.326 81.1 121.1 -91.7 2.0 1.8 -28.1 83.8 64 65 A L < - 0 0 17 -3,-0.6 -3,-0.0 -4,-0.2 5,-0.0 -0.324 67.4-107.1 -68.5 151.3 -1.3 -26.9 81.8 65 66 A S > - 0 0 60 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.199 30.5-108.1 -66.3 161.5 -1.1 -25.6 78.3 66 67 A D H >>S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.6 0.934 122.4 56.9 -58.9 -46.6 -1.6 -21.8 77.5 67 68 A S H >5S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.881 109.7 42.9 -51.4 -46.3 -4.9 -22.7 76.0 68 69 A E H 45S+ 0 0 41 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.792 117.4 48.5 -74.9 -27.8 -6.0 -24.4 79.3 69 70 A H H <5S+ 0 0 1 -4,-2.0 -2,-0.2 231,-0.1 -3,-0.2 0.931 130.3 12.5 -73.0 -54.8 -4.6 -21.5 81.4 70 71 A V H <5S+ 0 0 0 -4,-3.2 1023,-1.3 -5,-0.1 1024,-1.2 0.496 95.2 114.0-102.0 -3.7 -6.1 -18.5 79.6 71 72 A G S < - 0 0 51 0, 0.0 3,-2.1 0, 0.0 224,-0.4 -0.315 40.2-104.5 -68.6 155.7 -18.1 -22.4 78.1 75 76 A I T 3 S+ 0 0 7 1,-0.3 3,-0.1 222,-0.1 223,-0.1 0.792 121.3 40.7 -51.5 -37.1 -20.9 -20.8 80.0 76 77 A A T 3 S- 0 0 10 1,-0.3 27,-2.2 26,-0.1 -1,-0.3 0.562 121.2-105.6 -89.4 -5.3 -22.0 -24.0 81.8 77 78 A G < - 0 0 4 -3,-2.1 -1,-0.3 25,-0.2 -2,-0.1 -0.310 53.6 -39.9 102.2 168.6 -18.4 -25.1 82.3 78 79 A I >> - 0 0 13 1,-0.2 4,-2.4 -2,-0.1 3,-1.0 -0.560 50.2-137.6 -66.4 121.0 -16.1 -27.7 80.8 79 80 A P H 3> S+ 0 0 84 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.875 105.0 55.9 -50.5 -41.5 -18.2 -30.9 80.2 80 81 A D H 3> S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.863 108.9 47.7 -58.6 -38.1 -15.3 -33.0 81.5 81 82 A F H <> S+ 0 0 0 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.949 109.3 51.4 -69.4 -50.4 -15.3 -31.0 84.7 82 83 A L H X S+ 0 0 18 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.912 114.4 45.7 -51.7 -43.8 -19.1 -31.3 85.2 83 84 A C H X S+ 0 0 86 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.889 114.5 46.2 -66.7 -39.2 -18.7 -35.1 84.7 84 85 A A H X S+ 0 0 8 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.885 109.5 54.7 -72.9 -37.0 -15.7 -35.4 87.0 85 86 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.824 109.5 46.2 -62.8 -39.5 -17.3 -33.3 89.8 86 87 A E H X S+ 0 0 21 -4,-1.4 4,-2.9 -5,-0.2 5,-0.3 0.851 113.3 51.8 -68.5 -41.3 -20.5 -35.5 89.9 87 88 A K H X S+ 0 0 131 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.947 113.9 39.3 -64.4 -51.8 -18.3 -38.6 90.0 88 89 A E H < S+ 0 0 9 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.842 120.1 48.8 -73.3 -27.2 -16.0 -37.6 92.8 89 90 A C H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.980 119.4 33.8 -68.0 -56.0 -18.9 -36.1 94.7 90 91 A F H >< S+ 0 0 2 -4,-2.9 3,-2.3 1,-0.2 -3,-0.2 0.702 81.2 174.5 -78.4 -25.6 -21.4 -39.0 94.4 91 92 A G G >< S- 0 0 37 -4,-1.9 3,-0.8 -5,-0.3 -1,-0.2 -0.231 73.7 -18.9 53.8-134.7 -19.0 -42.0 94.5 92 93 A N G 3 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.383 135.3 72.6 -81.7 -0.8 -20.7 -45.4 94.6 93 94 A F G < + 0 0 53 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.099 57.1 151.0 -99.7 10.2 -23.8 -43.4 95.7 94 95 A R < - 0 0 120 -3,-0.8 145,-0.0 1,-0.1 -7,-0.0 -0.319 46.7-123.9 -49.1 121.7 -24.9 -41.6 92.5 95 96 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 144,-0.1 -0.275 20.0-110.9 -67.6 156.3 -28.7 -41.2 92.9 96 97 A E S S+ 0 0 108 143,-0.2 147,-0.7 2,-0.1 2,-0.2 -0.442 75.5 47.2 -78.0 159.1 -31.2 -42.4 90.3 97 98 A G S S- 0 0 33 145,-0.1 2,-0.5 -2,-0.1 178,-0.2 -0.642 99.4 -19.4 105.0-167.5 -33.2 -40.0 88.1 98 99 A H E -C 274 0C 60 176,-2.6 176,-2.2 -2,-0.2 2,-0.4 -0.743 57.8-172.9 -92.4 122.7 -32.3 -36.9 86.1 99 100 A I E +C 273 0C 6 -2,-0.5 2,-0.4 174,-0.2 174,-0.2 -0.949 8.1 172.9-121.2 127.7 -29.0 -35.2 86.9 100 101 A R E -C 272 0C 67 172,-1.6 172,-3.9 -2,-0.4 2,-0.3 -0.998 10.7-162.6-133.0 137.2 -27.8 -31.8 85.5 101 102 A S E -C 271 0C 6 -2,-0.4 2,-0.3 170,-0.3 170,-0.2 -0.897 5.9-171.3-122.0 153.3 -24.7 -29.8 86.6 102 103 A I E -C 270 0C 0 168,-1.4 168,-2.5 -2,-0.3 -25,-0.2 -0.994 29.3-113.9-140.8 135.8 -23.6 -26.2 86.1 103 104 A A E -C 269 0C 1 -27,-2.2 2,-0.3 -2,-0.3 166,-0.3 -0.464 41.1-178.5 -65.9 139.3 -20.2 -24.6 87.0 104 105 A T E -C 268 0C 0 164,-2.0 164,-2.0 -2,-0.1 2,-1.7 -0.895 41.8 -96.6-135.5 168.1 -20.4 -22.0 89.7 105 106 A A S > S- 0 0 9 -2,-0.3 4,-3.0 162,-0.2 162,-0.3 -0.641 85.7 -67.0 -89.0 100.0 -18.2 -19.6 91.6 106 107 A G H > S- 0 0 0 -2,-1.7 4,-1.2 160,-0.2 162,-0.3 -0.177 87.1 -47.9 51.6-153.1 -17.6 -21.9 94.5 107 108 A G H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.701 138.1 64.1 -86.6 -23.4 -20.5 -22.7 96.7 108 109 A T H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.944 102.7 49.3 -62.0 -46.3 -21.4 -19.1 97.0 109 110 A G H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.926 110.2 49.8 -56.6 -46.7 -22.2 -19.1 93.3 110 111 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.879 114.5 43.1 -64.3 -38.5 -24.3 -22.2 93.5 111 112 A I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.838 111.8 54.8 -79.7 -33.0 -26.4 -20.8 96.4 112 113 A H H X S+ 0 0 12 -4,-2.6 4,-2.1 1012,-0.3 -2,-0.2 0.930 113.7 43.2 -59.2 -47.1 -26.6 -17.4 94.7 113 114 A H H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.926 111.8 52.9 -62.7 -46.7 -28.0 -19.2 91.7 114 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 113.7 42.5 -59.0 -45.2 -30.3 -21.4 93.7 115 116 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.867 113.5 51.8 -73.6 -41.0 -31.9 -18.6 95.5 116 117 A H H < S+ 0 0 40 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 119.5 35.6 -60.6 -42.5 -32.2 -16.3 92.4 117 118 A N H < S+ 0 0 0 -4,-3.0 718,-3.1 -5,-0.2 721,-0.2 0.822 123.4 37.0 -84.6 -32.5 -33.9 -19.1 90.4 118 119 A Y H < S+ 0 0 0 -4,-2.5 2,-0.4 716,-0.3 -1,-0.2 0.214 105.6 63.8-102.1 3.1 -36.1 -20.9 93.0 119 120 A T S < S- 0 0 2 -4,-0.9 716,-0.1 -3,-0.1 3,-0.1 -0.993 70.4-130.5-130.6 144.8 -37.4 -18.1 95.3 120 121 A E > - 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0 0 12 -33,-0.3 4,-1.6 796,-0.2 796,-0.2 -0.285 43.7-161.0 -61.6 120.3 -12.1 -20.3 86.0 300 301 A R H > S+ 0 0 43 794,-2.0 4,-2.4 -2,-0.3 5,-0.2 0.881 83.5 51.8 -71.1 -47.4 -10.9 -22.5 83.2 301 302 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.909 108.1 51.6 -60.3 -42.4 -7.5 -23.8 84.7 302 303 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 112.4 47.7 -60.0 -45.2 -9.1 -24.9 88.0 303 304 A X H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.938 114.4 44.0 -60.3 -48.3 -11.7 -26.9 86.1 304 305 A R H X S+ 0 0 34 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.923 109.4 57.3 -65.6 -42.9 -9.3 -28.6 83.7 305 306 A T H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.939 112.9 41.3 -51.6 -51.1 -6.9 -29.3 86.6 306 307 A X H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 5,-0.3 0.952 113.2 51.0 -67.1 -51.7 -9.6 -31.2 88.4 307 308 A A H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.929 109.2 54.6 -48.5 -44.3 -11.1 -33.0 85.4 308 309 A N H < S+ 0 0 44 -4,-3.3 -1,-0.2 -5,-0.2 4,-0.2 0.920 110.7 42.9 -58.4 -46.3 -7.6 -34.2 84.5 309 310 A I H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 7,-0.3 0.972 113.1 48.8 -66.8 -55.7 -6.9 -35.8 87.9 310 311 A V H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 111.1 53.9 -52.0 -34.1 -10.2 -37.6 88.4 311 312 A A T 3< S+ 0 0 74 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.479 97.9 73.2 -85.0 -3.6 -10.0 -39.0 84.9 312 313 A D <> - 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