==== 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 28-NOV-06 2O1B . COMPND 2 MOLECULE: AMINOTRANSFERASE, CLASS I; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.E.MCGRATH,A.DHARAMSI,D.THAMBIPILLAI,A.M.EDWARDS,E.F.PAI, . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 1 0 0 2 1 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 0 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 . 1 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 I 0 0 176 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 147.0 6.8 -42.9 12.2 2 3 A S > - 0 0 68 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.460 360.0-122.5 -74.3 149.3 5.1 -44.9 9.4 3 4 A N H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.911 111.9 56.3 -53.8 -45.7 7.0 -47.5 7.3 4 5 A K H 4 S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.861 111.4 41.0 -55.7 -42.9 6.2 -45.6 4.1 5 6 A L H >4 S+ 0 0 91 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.845 107.6 62.0 -79.8 -33.9 7.8 -42.3 5.4 6 7 A A H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 97.2 60.4 -58.7 -34.5 10.7 -44.1 7.0 7 8 A N T 3< S+ 0 0 119 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.790 83.8 98.2 -62.2 -28.8 11.7 -45.3 3.6 8 9 A I S < S- 0 0 32 -3,-1.1 3,-0.1 -4,-0.4 113,-0.0 -0.490 75.2-129.6 -78.7 116.1 12.2 -41.8 2.3 9 10 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.310 41.4 -91.8 -58.1 140.5 15.8 -40.4 2.2 10 11 A D - 0 0 144 1,-0.2 2,-0.5 2,-0.1 3,-0.0 -0.164 47.3 -90.5 -53.9 146.1 15.9 -37.0 3.9 11 12 A S > - 0 0 63 1,-0.2 3,-2.8 -3,-0.1 -1,-0.2 -0.500 39.5-144.0 -56.7 109.6 15.6 -34.0 1.7 12 13 A Y T 3 S+ 0 0 126 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.741 99.8 34.9 -58.3 -26.0 19.3 -33.6 0.9 13 14 A F T 3 0 0 94 325,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 0.020 360.0 360.0-114.8 24.9 18.8 -29.8 0.9 14 15 A G < 0 0 101 -3,-2.8 -2,-0.1 0, 0.0 -4,-0.0 0.259 360.0 360.0 -89.7 360.0 16.2 -29.8 3.7 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 23 A E 0 0 217 0, 0.0 2,-0.3 0, 0.0 315,-0.0 0.000 360.0 360.0 360.0 146.6 30.0 -23.8 8.3 17 24 A H - 0 0 75 1,-0.1 314,-0.2 314,-0.1 313,-0.1 -0.969 360.0-103.4-152.8 163.2 32.6 -22.3 5.9 18 25 A G - 0 0 10 312,-2.1 314,-0.2 -2,-0.3 313,-0.1 0.034 56.7 -74.4 -75.3-168.0 36.3 -21.9 5.4 19 26 A P S S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 314,-0.1 0.844 107.0 80.2 -58.3 -41.0 38.4 -18.7 6.0 20 27 A L S S- 0 0 60 312,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.250 99.7 -85.1 -70.8 151.8 37.2 -16.8 2.9 21 28 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.374 59.0-102.3 -53.9 137.5 33.9 -15.0 2.7 22 29 A L - 0 0 76 -3,-0.1 2,-0.5 -4,-0.1 313,-0.2 -0.413 31.3-168.8 -72.3 133.3 31.2 -17.5 1.8 23 30 A I E -a 335 0A 3 311,-2.5 313,-2.6 -2,-0.2 2,-1.1 -0.993 14.0-151.4-116.4 117.7 29.8 -17.8 -1.8 24 31 A N E +a 336 0A 62 -2,-0.5 3,-0.5 311,-0.2 313,-0.1 -0.769 28.5 161.9 -95.2 93.7 26.7 -20.0 -1.8 25 32 A X + 0 0 0 311,-2.0 329,-2.8 -2,-1.1 313,-0.5 0.029 58.4 86.7 -99.7 23.1 26.6 -21.6 -5.2 26 33 A A + 0 0 14 311,-0.3 2,-0.3 327,-0.2 -1,-0.2 0.259 66.2 121.0-100.1 9.1 24.2 -24.3 -4.0 27 34 A V - 0 0 37 -3,-0.5 329,-0.4 309,-0.2 2,-0.2 -0.557 49.5-157.8 -84.0 128.4 21.2 -22.1 -4.7 28 35 A G + 0 0 27 -2,-0.3 -2,-0.1 326,-0.1 326,-0.0 -0.445 63.5 50.1 -73.0 169.8 18.3 -22.8 -6.9 29 36 A I S S- 0 0 49 -2,-0.2 197,-0.1 2,-0.0 -2,-0.0 0.822 88.0 -84.3 77.5 121.2 16.5 -19.6 -7.9 30 37 A P - 0 0 7 0, 0.0 201,-0.1 0, 0.0 326,-0.1 0.031 31.9-129.0 -43.9 160.4 17.6 -16.2 -9.4 31 38 A D S S+ 0 0 73 326,-0.1 327,-0.1 2,-0.0 325,-0.0 0.500 72.6 104.7 -98.8 -10.8 18.7 -13.5 -7.0 32 39 A G S S- 0 0 31 1,-0.1 2,-0.1 325,-0.1 324,-0.0 -0.207 71.4-104.7 -76.9 163.2 16.5 -10.8 -8.3 33 40 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 197,-0.1 -0.378 41.6 -88.5 -79.2 161.8 13.3 -9.4 -6.7 34 41 A T - 0 0 24 1,-0.1 195,-0.1 -2,-0.1 5,-0.1 -0.536 59.8 -93.9 -62.6 131.2 9.7 -10.0 -7.7 35 42 A P >> - 0 0 19 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.245 33.5-122.6 -52.5 138.6 8.8 -7.4 -10.4 36 43 A Q H 3> S+ 0 0 118 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.837 108.3 61.6 -56.6 -36.2 7.1 -4.4 -8.7 37 44 A G H 3> S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.846 104.6 47.1 -58.3 -38.2 4.0 -4.8 -10.8 38 45 A I H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.927 113.3 49.5 -69.0 -46.3 3.3 -8.3 -9.4 39 46 A I H X S+ 0 0 43 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.923 109.5 51.3 -53.8 -51.5 3.9 -7.0 -5.9 40 47 A D H X S+ 0 0 63 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.885 111.3 47.6 -57.0 -42.7 1.5 -4.0 -6.4 41 48 A H H X S+ 0 0 78 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.835 110.4 51.2 -70.9 -33.0 -1.3 -6.3 -7.6 42 49 A F H X S+ 0 0 38 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.956 108.6 52.5 -63.1 -50.0 -0.8 -8.7 -4.8 43 50 A Q H >< S+ 0 0 117 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.894 113.5 44.0 -50.8 -44.3 -1.0 -5.8 -2.3 44 51 A K H >< S+ 0 0 146 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.888 106.3 60.6 -69.8 -41.3 -4.3 -4.7 -3.9 45 52 A A H >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.619 91.4 69.9 -60.3 -17.5 -5.7 -8.3 -4.1 46 53 A L T << S+ 0 0 79 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.750 94.1 55.1 -75.5 -21.6 -5.5 -8.6 -0.3 47 54 A T T < S+ 0 0 103 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.429 82.3 108.0 -90.6 0.9 -8.4 -6.1 0.1 48 55 A I X> - 0 0 72 -3,-0.8 3,-1.3 -4,-0.2 4,-1.0 -0.704 67.0-141.2 -88.7 121.4 -10.8 -8.0 -2.1 49 56 A P H >> S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.864 100.6 50.4 -51.2 -47.1 -13.6 -9.7 -0.1 50 57 A E H 34 S+ 0 0 169 1,-0.2 3,-0.5 2,-0.2 211,-0.2 0.785 105.8 58.6 -62.6 -27.4 -13.6 -12.9 -2.2 51 58 A N H <4 S+ 0 0 2 -3,-1.3 210,-0.7 1,-0.2 211,-0.5 0.751 100.0 55.1 -74.1 -24.9 -9.8 -13.3 -1.8 52 59 A Q H << S+ 0 0 131 -4,-1.0 2,-0.2 -3,-0.9 -1,-0.2 0.653 107.1 60.1 -81.4 -14.3 -9.9 -13.4 2.0 53 60 A K S < S- 0 0 134 -4,-0.6 208,-0.3 -3,-0.5 0, 0.0 -0.678 99.3 -74.5-115.6 159.1 -12.3 -16.3 2.0 54 61 A Y + 0 0 217 -2,-0.2 2,-0.2 206,-0.1 -1,-0.1 -0.208 56.6 178.9 -43.5 137.2 -12.6 -20.0 0.8 55 62 A G - 0 0 47 202,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.591 41.3 -39.2-130.1-166.3 -13.1 -20.1 -3.0 56 63 A A > - 0 0 70 -2,-0.2 3,-1.8 1,-0.1 203,-0.4 -0.439 53.6-132.8 -61.9 127.6 -13.5 -22.7 -5.7 57 64 A F T 3 S+ 0 0 98 1,-0.3 202,-0.3 -2,-0.2 201,-0.2 0.867 102.3 49.5 -46.4 -47.9 -11.1 -25.5 -5.1 58 65 A H T 3 S- 0 0 58 1,-0.2 29,-0.4 200,-0.1 -1,-0.3 0.318 116.2-102.6 -88.0 8.0 -9.8 -25.6 -8.6 59 66 A G < - 0 0 6 -3,-1.8 -1,-0.2 27,-0.1 2,-0.1 -0.064 45.3 -46.5 103.2 163.0 -9.1 -21.9 -9.0 60 67 A K > - 0 0 58 1,-0.1 4,-2.4 -3,-0.1 3,-0.4 -0.362 44.6-125.3 -65.9 146.3 -10.5 -18.8 -10.5 61 68 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 114.0 56.7 -54.9 -43.1 -11.7 -18.8 -14.1 62 69 A A H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.808 107.7 48.3 -60.5 -31.6 -9.4 -15.9 -14.8 63 70 A F H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.955 111.1 48.1 -73.8 -51.6 -6.4 -18.0 -13.5 64 71 A K H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.878 115.1 48.5 -52.9 -39.0 -7.4 -21.1 -15.6 65 72 A Q H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.839 106.4 53.7 -71.4 -37.8 -7.7 -18.6 -18.6 66 73 A A H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.844 109.5 52.3 -66.1 -31.8 -4.3 -16.9 -17.9 67 74 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.934 111.3 42.5 -67.0 -51.6 -2.8 -20.4 -18.1 68 75 A V H X S+ 0 0 15 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.882 114.8 52.0 -66.3 -37.4 -4.3 -21.4 -21.4 69 76 A D H X S+ 0 0 65 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.891 109.7 49.7 -61.5 -44.9 -3.5 -18.0 -22.9 70 77 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.975 112.7 46.1 -58.6 -56.3 0.1 -18.3 -21.8 71 78 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-1.4 0.860 112.3 52.9 -57.1 -36.3 0.5 -21.8 -23.3 72 79 A Q H X S+ 0 0 74 -4,-2.3 4,-1.7 4,-0.2 -1,-0.2 0.963 117.4 33.7 -63.7 -55.6 -1.2 -20.6 -26.5 73 80 A R H < S+ 0 0 110 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.783 125.5 44.5 -75.9 -23.5 1.0 -17.6 -27.2 74 81 A Q H < S+ 0 0 35 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.932 136.8 4.2 -80.9 -48.7 4.1 -19.2 -25.7 75 82 A Y H < S- 0 0 20 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.301 90.2-116.3-125.1 8.0 3.9 -22.8 -27.3 76 83 A N < + 0 0 128 -4,-1.7 2,-0.6 -5,-0.4 -4,-0.2 0.863 65.5 148.9 50.0 40.5 0.9 -22.8 -29.7 77 84 A V - 0 0 6 -6,-1.4 2,-0.6 -9,-0.1 -1,-0.2 -0.925 40.9-145.5-107.3 121.0 -0.7 -25.4 -27.4 78 85 A T - 0 0 92 -2,-0.6 2,-0.4 131,-0.2 -9,-0.1 -0.773 23.9-179.3 -88.4 122.5 -4.5 -25.4 -27.2 79 86 A L - 0 0 21 -2,-0.6 2,-0.5 -11,-0.1 -7,-0.1 -0.952 27.0-128.7-125.5 143.7 -5.7 -26.3 -23.7 80 87 A D > - 0 0 72 -2,-0.4 4,-2.5 160,-0.1 160,-0.2 -0.785 17.9-139.7 -88.6 129.5 -9.2 -26.7 -22.2 81 88 A K T 4 S+ 0 0 43 -2,-0.5 4,-0.2 1,-0.2 -1,-0.1 0.802 98.8 32.1 -60.5 -34.8 -9.7 -24.8 -18.9 82 89 A E T 4 S+ 0 0 71 2,-0.1 3,-0.3 1,-0.1 -1,-0.2 0.906 127.6 35.3 -86.1 -46.7 -11.6 -27.5 -17.2 83 90 A D T 4 S+ 0 0 60 1,-0.2 163,-0.3 3,-0.0 162,-0.2 0.747 125.6 31.3 -83.3 -27.9 -10.2 -30.7 -18.7 84 91 A E S < S+ 0 0 33 -4,-2.5 156,-1.9 161,-0.1 2,-0.4 0.121 100.8 76.7-128.6 20.2 -6.5 -29.8 -19.2 85 92 A V E +B 239 0B 2 -3,-0.3 2,-0.4 -4,-0.2 154,-0.2 -0.993 41.9 173.0-139.2 127.9 -5.5 -27.4 -16.4 86 93 A C E -B 238 0B 3 152,-2.5 152,-3.4 -2,-0.4 2,-0.2 -0.972 26.5-135.9-134.7 118.6 -4.7 -28.0 -12.7 87 94 A I E -B 237 0B 10 -2,-0.4 2,-0.3 -29,-0.4 150,-0.3 -0.505 22.4-148.9 -71.7 139.6 -3.3 -25.2 -10.5 88 95 A L E -B 236 0B 0 148,-3.1 148,-2.1 -2,-0.2 2,-1.7 -0.893 20.4-131.8-118.2 144.3 -0.5 -26.3 -8.2 89 96 A Y S S- 0 0 42 -2,-0.3 4,-0.3 1,-0.3 146,-0.3 -0.477 95.4 -34.6 -86.5 64.3 0.6 -25.0 -4.7 90 97 A G S >> S- 0 0 0 -2,-1.7 4,-0.9 144,-0.1 3,-0.6 0.307 78.3-100.6 79.1 140.1 4.2 -24.7 -6.0 91 98 A T H 3> S+ 0 0 14 144,-0.3 4,-3.4 1,-0.2 5,-0.3 0.780 117.1 69.4 -66.9 -29.4 5.2 -27.4 -8.5 92 99 A K H 3> S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 99.2 51.3 -51.5 -47.7 7.0 -29.5 -6.0 93 100 A N H <> S+ 0 0 63 -3,-0.6 4,-0.8 -4,-0.3 -1,-0.2 0.874 114.9 41.2 -57.4 -42.6 3.7 -30.4 -4.4 94 101 A G H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.895 112.8 53.1 -74.8 -42.1 2.2 -31.4 -7.7 95 102 A L H < S+ 0 0 2 -4,-3.4 3,-0.2 1,-0.2 -2,-0.2 0.906 112.3 44.6 -58.3 -45.0 5.2 -33.3 -9.0 96 103 A V H < S+ 0 0 28 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.730 111.5 55.9 -75.8 -18.0 5.4 -35.4 -5.8 97 104 A A H >X S+ 0 0 2 -4,-0.8 4,-1.7 -5,-0.2 3,-0.6 0.812 85.1 83.4 -78.6 -30.6 1.6 -36.0 -6.0 98 105 A V H 3X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.3 5,-0.3 0.822 88.1 49.1 -48.9 -49.8 1.5 -37.5 -9.5 99 106 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.919 108.9 52.9 -61.7 -39.9 2.4 -41.1 -8.7 100 107 A T H <4 S+ 0 0 61 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.883 116.5 42.1 -56.4 -38.3 -0.2 -41.2 -5.9 101 108 A C H < S+ 0 0 30 -4,-1.7 -1,-0.2 -3,-0.2 -3,-0.1 0.725 128.0 25.0 -76.3 -27.5 -2.8 -40.0 -8.5 102 109 A V H < S+ 0 0 32 -4,-1.7 2,-0.2 -3,-0.3 -2,-0.2 0.745 108.2 57.2-119.5 -33.0 -1.7 -42.1 -11.4 103 110 A I < - 0 0 8 -4,-2.5 25,-0.1 -5,-0.3 3,-0.1 -0.583 61.5-135.9-108.2 165.4 0.1 -45.4 -10.5 104 111 A N > - 0 0 111 -2,-0.2 3,-2.3 1,-0.1 52,-0.1 -0.830 47.3 -67.8-114.8 156.8 -0.6 -48.5 -8.4 105 112 A P T 3 S+ 0 0 95 0, 0.0 23,-0.2 0, 0.0 22,-0.1 -0.102 122.0 19.4 -41.0 131.4 1.6 -50.3 -5.8 106 113 A G T 3 S+ 0 0 36 21,-2.7 2,-0.2 1,-0.3 22,-0.2 0.360 88.1 139.8 86.0 -5.1 4.5 -52.0 -7.5 107 114 A D < - 0 0 21 -3,-2.3 22,-3.2 20,-0.1 -1,-0.3 -0.513 53.2-120.9 -69.6 139.3 4.3 -49.9 -10.7 108 115 A Y E -cd 129 155B 50 46,-1.4 48,-2.5 20,-0.2 49,-1.2 -0.608 24.7-166.7 -83.0 139.8 7.7 -48.9 -12.1 109 116 A V E -cd 130 157B 0 20,-2.3 22,-3.0 -2,-0.3 2,-0.5 -0.997 14.8-138.3-127.7 125.9 8.5 -45.2 -12.5 110 117 A L E -cd 131 158B 0 47,-2.4 49,-2.5 -2,-0.4 -2,-0.0 -0.740 20.4-168.5 -86.2 127.0 11.6 -44.1 -14.6 111 118 A L E -c 132 0B 22 20,-2.3 22,-3.4 -2,-0.5 49,-0.1 -0.966 27.5-107.9-120.2 127.6 13.6 -41.2 -13.0 112 119 A P E -c 133 0B 9 0, 0.0 3,-0.3 0, 0.0 22,-0.2 -0.267 32.4-134.0 -58.1 129.9 16.3 -39.2 -14.8 113 120 A D E S+c 134 0B 8 20,-2.8 22,-3.1 1,-0.4 231,-0.2 -0.949 103.1 27.3-126.4 107.9 19.8 -40.0 -13.6 114 121 A P S S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 53,-0.3 0.405 112.2 119.4 -82.5 137.9 21.3 -37.5 -13.2 115 122 A G - 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0 0 5 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.2 -0.922 42.9-124.2 -93.6 123.2 38.5 -27.1 -15.8 302 309 A P + 0 0 43 0, 0.0 13,-2.3 0, 0.0 2,-0.3 -0.578 44.9 153.1 -75.3 121.7 36.2 -29.9 -17.3 303 310 A F E -I 314 0D 48 -2,-0.4 2,-0.6 11,-0.2 11,-0.2 -0.889 47.7-109.5-136.3 167.2 32.5 -29.1 -17.3 304 311 A V E -I 313 0D 14 9,-3.0 9,-0.9 -2,-0.3 -165,-0.0 -0.927 44.5-115.3 -98.8 117.4 29.4 -29.9 -19.2 305 312 A H - 0 0 94 -2,-0.6 2,-0.4 7,-0.1 7,-0.1 -0.296 29.6-126.0 -52.3 129.9 28.3 -26.8 -21.2 306 313 A A - 0 0 1 1,-0.1 -138,-0.1 -17,-0.1 -137,-0.1 -0.684 27.5-179.8 -84.7 132.6 24.9 -25.6 -19.9 307 314 A K - 0 0 50 -139,-1.7 -106,-2.3 -2,-0.4 -105,-0.6 0.620 68.9 -11.4-107.0 -19.2 22.2 -25.1 -22.5 308 315 A G B S+H 200 0C 0 -140,-1.2 3,-0.4 -108,-0.2 -1,-0.3 -0.948 96.1 56.3-163.3-178.4 19.4 -23.9 -20.2 309 316 A G S S- 0 0 1 -110,-1.3 -144,-0.1 -113,-0.5 -145,-0.0 -0.409 89.1 -75.7 80.1-160.9 18.5 -23.5 -16.5 310 317 A I S S+ 0 0 1 -2,-0.1 45,-3.0 46,-0.0 46,-0.3 0.191 95.4 78.4-125.0 15.0 20.6 -21.6 -14.0 311 318 A Y E - J 0 354D 5 -3,-0.4 2,-0.4 43,-0.2 43,-0.2 -0.775 60.2-138.2-123.2 162.4 23.5 -24.0 -13.3 312 319 A V E - J 0 353D 0 41,-2.3 41,-2.3 -2,-0.3 2,-0.7 -0.993 20.7-140.9-116.5 136.3 26.9 -25.3 -14.5 313 320 A W E -IJ 304 352D 1 -9,-0.9 -9,-3.0 -2,-0.4 2,-0.4 -0.873 27.8-168.2 -98.1 107.6 27.5 -29.1 -14.1 314 321 A L E -IJ 303 351D 0 37,-2.9 37,-2.6 -2,-0.7 -11,-0.2 -0.841 19.0-121.9-107.6 134.2 31.2 -29.3 -13.2 315 322 A E E - J 0 350D 78 -13,-2.3 35,-0.3 -2,-0.4 34,-0.0 -0.448 25.1-125.4 -65.1 140.4 33.4 -32.5 -13.1 316 323 A T - 0 0 9 33,-2.1 3,-0.1 -2,-0.1 6,-0.1 -0.605 32.9-108.6 -75.5 150.7 35.1 -33.3 -9.8 317 324 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 59,-0.2 -0.382 48.3 -75.5 -76.5 161.9 38.9 -33.7 -10.1 318 325 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 59,-0.1 -0.278 120.5 28.5 -56.3 142.5 40.5 -37.2 -9.8 319 326 A G T 3 S+ 0 0 69 1,-0.1 2,-0.4 -3,-0.1 56,-0.0 0.405 106.2 89.6 85.6 -2.9 40.6 -38.5 -6.2 320 327 A Y < - 0 0 58 -3,-1.7 -1,-0.1 29,-0.0 2,-0.1 -0.996 58.2-159.7-122.4 127.1 37.5 -36.5 -5.2 321 328 A D > - 0 0 34 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.333 46.3 -88.7 -83.9-177.8 33.9 -37.7 -5.4 322 329 A S H > S+ 0 0 0 26,-2.3 4,-1.9 1,-0.2 27,-0.1 0.858 128.6 44.0 -63.0 -37.3 31.1 -35.1 -5.4 323 330 A E H > S+ 0 0 71 25,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 114.4 48.6 -78.4 -37.8 30.7 -35.1 -1.6 324 331 A Q H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 114.8 46.2 -65.2 -41.3 34.5 -35.0 -1.0 325 332 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.866 110.4 54.0 -69.6 -36.1 34.8 -32.1 -3.5 326 333 A E H X S+ 0 0 43 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.945 111.9 43.9 -60.0 -49.0 31.8 -30.4 -1.9 327 334 A Q H X S+ 0 0 94 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.910 112.4 53.4 -64.2 -43.2 33.5 -30.5 1.5 328 335 A F H X>S+ 0 0 33 -4,-2.5 4,-3.1 1,-0.2 5,-0.7 0.939 109.7 47.7 -51.5 -53.1 36.9 -29.4 -0.0 329 336 A L H X5S+ 0 0 0 -4,-2.6 6,-2.2 3,-0.2 4,-0.9 0.873 115.6 43.2 -62.5 -40.4 35.3 -26.4 -1.7 330 337 A V H X5S+ 0 0 13 -4,-2.0 -312,-2.1 4,-0.3 4,-0.7 0.932 120.8 41.5 -70.7 -44.6 33.4 -25.2 1.5 331 338 A Q H <5S+ 0 0 103 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.946 131.1 21.5 -65.5 -55.2 36.4 -25.9 3.8 332 339 A E H <5S+ 0 0 100 -4,-3.1 -312,-0.3 -5,-0.3 -3,-0.2 0.887 138.6 24.6 -85.5 -42.7 39.2 -24.6 1.6 333 340 A K H < S+ 0 0 0 10,-2.2 3,-1.5 7,-0.4 4,-0.4 0.715 89.4 86.5 -65.6 -21.7 26.0 -34.5 -7.8 341 348 A K G > S+ 0 0 88 6,-0.3 3,-2.5 1,-0.3 6,-0.2 0.885 83.8 49.8 -54.0 -56.5 25.3 -37.6 -5.6 342 349 A P G 3 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.669 103.7 63.7 -57.7 -16.1 21.7 -36.8 -4.6 343 350 A F G < S- 0 0 6 -3,-1.5 -228,-2.7 1,-0.3 -2,-0.2 0.539 123.8 -79.4 -83.8 -5.7 20.9 -36.2 -8.3 344 351 A G X - 0 0 21 -3,-2.5 3,-2.1 -4,-0.4 -1,-0.3 -0.557 49.7 -64.9 130.5 166.8 21.7 -39.9 -8.9 345 352 A E G > S+ 0 0 156 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.810 126.9 60.8 -47.5 -40.9 24.6 -42.4 -9.4 346 353 A N G 3 S+ 0 0 58 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.512 98.0 59.2 -72.5 -6.1 25.6 -40.6 -12.6 347 354 A G G X S+ 0 0 0 -3,-2.1 3,-1.8 -7,-0.3 -7,-0.4 0.353 71.9 106.9 -98.4 2.0 26.2 -37.4 -10.6 348 355 A N T < S+ 0 0 56 -3,-1.7 -26,-2.3 1,-0.3 -25,-0.2 0.770 86.2 36.5 -53.9 -30.5 28.8 -39.1 -8.4 349 356 A R T 3 S+ 0 0 128 -3,-0.2 -33,-2.1 -28,-0.2 2,-0.3 -0.113 109.6 70.7-120.0 36.4 31.7 -37.2 -10.1 350 357 A Y E < -J 315 0D 30 -3,-1.8 -10,-2.2 -35,-0.3 2,-0.3 -0.960 58.4-150.8-139.7 161.4 30.1 -33.8 -10.7 351 358 A V E -JK 314 339D 0 -37,-2.6 -37,-2.9 -2,-0.3 2,-0.5 -0.965 18.8-127.8-129.2 150.8 29.0 -30.8 -8.7 352 359 A R E -JK 313 338D 15 -14,-3.8 -14,-2.4 -2,-0.3 2,-0.5 -0.851 20.9-162.8-100.3 131.9 26.2 -28.4 -9.5 353 360 A I E -J 312 0D 0 -41,-2.3 -41,-2.3 -2,-0.5 2,-0.4 -0.960 10.4-141.7-122.7 117.5 27.1 -24.7 -9.5 354 361 A S E -J 311 0D 0 -329,-2.8 -43,-0.2 -2,-0.5 -327,-0.1 -0.669 10.5-166.5 -83.9 128.8 24.4 -22.0 -9.3 355 362 A L + 0 0 0 -45,-3.0 2,-1.6 -2,-0.4 -44,-0.1 0.247 60.7 110.7 -91.0 11.6 24.8 -18.9 -11.3 356 363 A A + 0 0 3 -329,-0.4 2,-0.3 -46,-0.3 -1,-0.1 -0.405 58.2 84.9 -89.7 59.7 22.0 -17.3 -9.3 357 364 A L S S- 0 0 24 -2,-1.6 5,-0.1 1,-0.1 -326,-0.1 -0.947 91.9 -40.8-148.3 164.3 24.1 -14.8 -7.4 358 365 A D > - 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