==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-NOV-01 1GPU . COMPND 2 MOLECULE: TRANSKETOLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.FIEDLER,S.THORELL,T.SANDALOVA,S.KOENIG,G.SCHNEIDER . 1356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 958 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 92 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.9 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 8 2 4 4 2 0 8 2 4 4 4 4 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 6 8 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 PARALLEL BRIDGES PER LADDER . 4 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 4 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 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 3 A Q 0 0 236 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.5 7.6 33.5 -4.9 2 4 A F - 0 0 63 3,-0.0 2,-0.2 2,-0.0 221,-0.1 -0.712 360.0-172.4 -96.3 144.7 4.1 33.5 -3.3 3 5 A T >> - 0 0 85 -2,-0.3 4,-1.5 0, 0.0 3,-1.0 -0.517 46.0 -70.9-122.6-169.7 1.4 31.0 -4.2 4 6 A D H 3> S+ 0 0 128 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.826 126.2 60.4 -55.6 -35.1 -2.3 30.4 -3.5 5 7 A I H 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.867 104.0 52.1 -61.8 -34.0 -1.7 29.4 0.1 6 8 A D H <> S+ 0 0 13 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.903 109.2 48.1 -67.7 -41.5 -0.2 32.8 0.6 7 9 A K H X S+ 0 0 136 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.872 111.5 51.3 -66.7 -35.4 -3.3 34.5 -0.8 8 10 A L H X S+ 0 0 45 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.899 107.7 52.2 -67.4 -40.0 -5.4 32.2 1.4 9 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.915 108.1 51.7 -61.8 -42.9 -3.4 33.2 4.5 10 12 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.904 110.6 47.5 -61.0 -42.7 -3.9 36.9 3.7 11 13 A S H X S+ 0 0 18 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.895 110.8 52.4 -65.1 -39.8 -7.7 36.4 3.5 12 14 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 47.8 -61.4 -45.1 -7.6 34.5 6.7 13 15 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.956 112.4 49.2 -60.1 -52.0 -5.8 37.3 8.5 14 16 A R H X S+ 0 0 11 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 115.7 42.0 -54.3 -49.6 -8.1 39.9 7.1 15 17 A I H X S+ 0 0 6 -4,-2.6 4,-2.9 2,-0.2 270,-0.2 0.858 112.1 53.8 -70.3 -35.3 -11.3 38.0 8.1 16 18 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.917 110.8 47.0 -65.8 -42.0 -9.9 37.0 11.5 17 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.921 113.4 49.0 -64.0 -43.8 -9.1 40.6 12.4 18 20 A V H X S+ 0 0 2 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.935 111.5 48.0 -61.9 -47.7 -12.6 41.7 11.2 19 21 A D H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.879 109.4 54.9 -60.6 -38.8 -14.4 39.0 13.2 20 22 A T H X S+ 0 0 1 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.932 112.3 42.1 -60.2 -47.0 -12.3 40.0 16.2 21 23 A V H X>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.2 4,-1.2 0.910 114.2 52.2 -67.4 -42.8 -13.4 43.6 16.0 22 24 A S H <5S+ 0 0 36 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.906 106.2 51.9 -62.4 -43.5 -17.0 42.7 15.2 23 25 A K H <5S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.889 112.5 46.4 -61.6 -37.8 -17.5 40.4 18.1 24 26 A A H <5S- 0 0 4 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.711 98.2-142.9 -75.5 -19.1 -16.2 43.1 20.4 25 27 A N T <5S+ 0 0 122 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.871 77.8 77.6 56.1 35.1 -18.5 45.6 18.7 26 28 A S < + 0 0 20 -5,-1.5 2,-0.2 237,-0.1 -2,-0.2 -0.924 63.6 60.8-168.5 143.6 -15.6 48.0 19.2 27 29 A G S S- 0 0 3 235,-0.4 41,-0.1 -2,-0.3 40,-0.1 -0.693 76.5 -60.7 127.2-179.5 -12.2 48.5 17.6 28 30 A H + 0 0 21 39,-0.6 42,-0.3 -2,-0.2 234,-0.2 -0.908 36.7 167.3-115.6 109.3 -10.5 49.4 14.3 29 31 A P > + 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.737 64.5 77.9 -87.6 -26.5 -11.0 47.2 11.2 30 32 A G H > S+ 0 0 0 230,-1.6 219,-2.2 231,-0.3 4,-2.0 0.926 96.7 34.6 -49.7 -67.7 -9.5 49.6 8.7 31 33 A A H > S+ 0 0 3 230,-0.4 4,-3.1 1,-0.2 5,-0.2 0.866 114.1 58.9 -62.8 -38.2 -5.7 49.3 9.0 32 34 A P H > S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.939 109.8 44.2 -56.9 -44.8 -5.8 45.6 9.8 33 35 A L H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.886 116.6 46.9 -65.5 -39.7 -7.6 45.0 6.4 34 36 A G H < S+ 0 0 0 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.841 117.7 39.7 -72.7 -34.2 -5.2 47.3 4.6 35 37 A M H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.402 83.9 100.0 -98.1 3.3 -2.0 46.0 6.1 36 38 A A H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 5,-0.2 0.898 82.5 51.2 -55.8 -45.8 -2.8 42.2 6.1 37 39 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.947 112.8 46.1 -57.6 -48.0 -0.8 41.5 2.9 38 40 A A H > S+ 0 0 0 180,-0.3 4,-2.8 -4,-0.3 5,-0.3 0.862 110.1 54.5 -62.7 -37.4 2.3 43.3 4.4 39 41 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.942 109.8 46.8 -62.9 -46.6 1.9 41.5 7.7 40 42 A H H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.952 116.2 43.3 -60.4 -52.1 1.9 38.1 5.9 41 43 A V H X S+ 0 0 2 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.938 118.0 44.9 -60.1 -49.7 4.9 38.9 3.8 42 44 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.958 116.5 43.1 -60.7 -55.5 6.9 40.5 6.6 43 45 A W H >< S+ 0 0 5 -4,-2.7 3,-1.1 -5,-0.3 -1,-0.2 0.853 107.0 62.6 -61.6 -34.4 6.2 37.9 9.3 44 46 A S H 3< S+ 0 0 28 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.706 112.3 36.7 -65.1 -19.1 6.8 35.1 6.8 45 47 A Q T << S+ 0 0 61 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 0.290 92.9 108.7-116.0 10.0 10.4 36.2 6.4 46 48 A M < - 0 0 16 -3,-1.1 2,-0.9 -4,-0.4 257,-0.0 -0.638 65.9-134.8 -84.6 142.4 11.1 37.3 10.0 47 49 A R + 0 0 94 -2,-0.3 12,-2.8 10,-0.1 2,-0.3 -0.859 53.8 123.7-100.9 103.8 13.4 35.1 12.0 48 50 A M - 0 0 2 -2,-0.9 258,-0.1 251,-0.3 259,-0.1 -0.964 57.7-119.6-152.8 166.0 11.7 34.6 15.4 49 51 A N > - 0 0 9 3,-0.4 3,-2.3 -2,-0.3 6,-0.3 -0.885 12.0-167.4-117.6 101.0 10.5 31.9 17.8 50 52 A P T 3 S+ 0 0 3 0, 0.0 32,-0.4 0, 0.0 -1,-0.1 0.788 94.7 53.3 -54.4 -28.2 6.8 31.9 18.6 51 53 A T T 3 S+ 0 0 95 1,-0.3 3,-0.1 249,-0.2 30,-0.0 0.529 117.9 36.1 -85.1 -7.4 7.5 29.4 21.4 52 54 A N X + 0 0 53 -3,-2.3 3,-1.9 1,-0.1 -3,-0.4 -0.590 64.2 173.2-144.3 76.4 10.2 31.7 22.8 53 55 A P T 3 S+ 0 0 23 0, 0.0 55,-0.1 0, 0.0 -1,-0.1 0.619 79.1 59.7 -59.2 -14.7 9.1 35.3 22.5 54 56 A D T 3 + 0 0 129 -5,-0.1 2,-0.1 -3,-0.1 4,-0.0 0.411 65.3 136.8 -97.3 0.0 12.2 36.4 24.6 55 57 A W X - 0 0 7 -3,-1.9 3,-1.7 -6,-0.3 -6,-0.1 -0.300 53.3-139.9 -50.5 118.1 14.9 35.0 22.3 56 58 A I T 3 S+ 0 0 14 1,-0.3 -1,-0.2 -2,-0.1 91,-0.1 0.787 95.3 47.7 -55.8 -34.5 17.4 37.8 22.4 57 59 A N T 3 S+ 0 0 3 88,-0.1 -1,-0.3 89,-0.1 89,-0.2 0.203 82.2 129.3 -97.2 20.4 18.4 37.6 18.7 58 60 A R < - 0 0 15 -3,-1.7 -10,-0.2 89,-0.1 2,-0.2 -0.373 68.6-109.8 -70.0 148.0 14.8 37.5 17.4 59 61 A D - 0 0 8 -12,-2.8 2,-0.4 88,-0.1 90,-0.2 -0.575 43.9-136.6 -71.2 147.2 13.8 39.9 14.6 60 62 A R E -a 149 0A 0 88,-2.4 90,-3.5 -2,-0.2 2,-0.4 -0.879 16.4-158.6-116.1 146.7 11.5 42.3 16.3 61 63 A F E -a 150 0A 15 -2,-0.4 49,-0.6 88,-0.2 2,-0.4 -0.977 5.3-170.7-124.4 133.9 8.1 43.8 15.2 62 64 A V E -a 151 0A 3 88,-2.1 90,-2.6 -2,-0.4 2,-1.1 -0.987 15.3-152.1-127.6 126.4 6.5 47.0 16.4 63 65 A L E +a 152 0A 5 -2,-0.4 90,-0.1 88,-0.2 3,-0.1 -0.774 19.0 174.6 -95.4 90.5 2.9 48.1 15.6 64 66 A S S S+ 0 0 0 88,-2.4 2,-1.7 -2,-1.1 50,-0.5 0.835 76.2 63.6 -67.1 -32.4 3.3 51.9 15.9 65 67 A N S > S+ 0 0 2 87,-0.7 3,-2.1 1,-0.2 -1,-0.3 -0.573 76.1 176.3 -89.8 71.8 -0.3 52.3 14.7 66 68 A G G > + 0 0 0 -2,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.671 63.5 74.3 -50.9 -29.7 -1.5 50.5 17.7 67 69 A H G 3 S+ 0 0 36 1,-0.3 -39,-0.6 47,-0.2 3,-0.5 0.734 86.9 67.8 -60.3 -19.3 -5.2 50.8 17.0 68 70 A A G X> + 0 0 0 -3,-2.1 3,-2.3 1,-0.2 4,-0.8 0.154 64.0 126.0 -85.2 20.4 -4.7 48.2 14.3 69 71 A V H <> + 0 0 0 -3,-1.6 4,-3.0 31,-0.3 5,-0.3 0.727 54.8 73.7 -52.5 -27.6 -4.0 45.7 17.1 70 72 A A H 3> S+ 0 0 1 -3,-0.5 4,-1.6 -42,-0.3 -1,-0.3 0.850 97.7 51.7 -57.3 -29.7 -6.6 43.2 15.8 71 73 A L H <> S+ 0 0 3 -3,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 109.4 47.7 -71.4 -43.3 -4.0 42.5 13.0 72 74 A L H X S+ 0 0 7 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.926 111.6 49.7 -64.9 -44.2 -1.2 41.9 15.5 73 75 A Y H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.890 110.9 51.4 -62.2 -37.6 -3.4 39.5 17.6 74 76 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.3 -1,-0.2 0.926 112.0 45.5 -64.5 -44.7 -4.4 37.7 14.5 75 77 A M H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 6,-0.2 0.908 110.8 53.4 -65.5 -43.5 -0.7 37.3 13.4 76 78 A L H <>S+ 0 0 1 -4,-2.9 5,-2.4 2,-0.2 4,-0.4 0.943 115.2 40.8 -57.2 -48.0 0.3 36.2 16.9 77 79 A H H ><5S+ 0 0 21 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.952 115.7 48.7 -65.5 -51.4 -2.3 33.5 16.9 78 80 A L H 3<5S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.3 49.9 -60.6 -32.8 -1.9 32.3 13.4 79 81 A T T 3<5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.416 124.1 -89.5 -91.7 3.4 1.9 32.0 13.6 80 82 A G T < 5S+ 0 0 31 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.552 73.1 141.9 109.0 4.5 2.1 30.0 16.8 81 83 A Y < - 0 0 26 -5,-2.4 2,-2.4 -6,-0.2 -1,-0.2 -0.324 68.6 -91.3 -75.5 164.7 2.3 32.3 19.8 82 84 A D S S+ 0 0 118 -32,-0.4 2,-0.3 -2,-0.0 -1,-0.1 -0.429 91.4 107.8 -76.8 67.9 0.5 31.5 23.0 83 85 A L - 0 0 8 -2,-2.4 -3,-0.2 -7,-0.2 2,-0.1 -0.964 53.5-155.4-145.5 124.0 -2.7 33.3 22.1 84 86 A S > - 0 0 50 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.462 32.3-107.9-100.4 172.6 -5.9 31.4 21.2 85 87 A I H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.877 122.1 58.3 -64.2 -36.0 -9.0 32.1 19.2 86 88 A E H 4 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.889 102.3 54.0 -60.9 -37.5 -10.8 32.4 22.5 87 89 A D H >4 S+ 0 0 28 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.925 109.0 47.6 -61.4 -43.6 -8.4 35.2 23.5 88 90 A L H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.851 105.6 59.5 -65.5 -32.8 -9.4 36.9 20.2 89 91 A K T 3< S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.545 103.8 52.4 -72.4 -5.4 -13.0 36.3 21.1 90 92 A Q T X S+ 0 0 67 -3,-1.4 3,-2.0 -4,-0.3 8,-0.3 0.067 79.6 152.2-114.6 20.2 -12.4 38.3 24.3 91 93 A F T < S+ 0 0 3 -3,-1.6 3,-0.1 1,-0.3 9,-0.1 -0.276 72.4 1.7 -54.4 130.7 -10.9 41.3 22.5 92 94 A R T 3 S+ 0 0 2 6,-3.0 2,-0.4 1,-0.2 -1,-0.3 0.645 99.6 134.0 63.8 19.3 -11.4 44.5 24.4 93 95 A Q X - 0 0 31 -3,-2.0 3,-2.5 5,-0.3 -1,-0.2 -0.808 68.9 -85.7-103.9 142.1 -13.2 42.8 27.3 94 96 A L T 3 S+ 0 0 56 -2,-0.4 1223,-0.2 1,-0.3 -1,-0.1 -0.137 111.1 1.7 -45.4 120.0 -12.4 43.5 30.9 95 97 A G T 3 S+ 0 0 75 1221,-0.4 -1,-0.3 1,-0.2 1222,-0.1 0.486 95.3 136.5 81.2 3.6 -9.5 41.3 32.0 96 98 A S < - 0 0 27 -3,-2.5 -1,-0.2 1220,-0.4 1220,-0.1 -0.315 64.8-121.7 -79.9 167.8 -8.8 39.6 28.7 97 99 A R S S+ 0 0 90 1,-0.2 -1,-0.1 -10,-0.1 -6,-0.1 0.419 103.3 70.1 -86.0 1.6 -5.3 39.1 27.3 98 100 A T + 0 0 0 -8,-0.3 -6,-3.0 -11,-0.2 -5,-0.3 -0.583 69.7 179.3-122.0 70.0 -6.4 41.1 24.2 99 101 A P - 0 0 11 0, 0.0 1055,-0.1 0, 0.0 4,-0.1 -0.199 46.6 -96.6 -66.4 161.0 -6.9 44.8 25.2 100 102 A G S S+ 0 0 0 1053,-0.9 -31,-0.3 -9,-0.1 -30,-0.1 0.577 111.0 29.8 -55.1 -16.4 -8.0 47.5 22.8 101 103 A H S S- 0 0 5 1052,-0.1 -34,-0.1 -32,-0.1 13,-0.1 -0.980 104.0 -84.4-142.3 149.6 -4.3 48.5 22.2 102 104 A P - 0 0 1 0, 0.0 11,-1.5 0, 0.0 2,-0.4 -0.316 42.0-156.7 -59.2 129.4 -1.1 46.4 22.3 103 105 A E > - 0 0 39 9,-0.2 3,-1.9 1,-0.1 6,-0.2 -0.932 21.1-131.5-115.2 132.7 0.4 46.0 25.8 104 106 A F T 3 S+ 0 0 65 -2,-0.4 5,-0.2 1,-0.3 4,-0.1 0.772 101.4 70.3 -44.0 -37.7 4.1 45.2 26.5 105 107 A E T 3 S+ 0 0 169 2,-0.1 -1,-0.3 3,-0.1 3,-0.0 0.792 78.9 89.1 -56.4 -33.8 3.0 42.5 29.0 106 108 A L S X S- 0 0 14 -3,-1.9 3,-2.2 1,-0.1 2,-0.1 -0.474 89.2-111.0 -71.8 133.3 1.7 40.1 26.2 107 109 A P T 3 S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.426 106.7 27.0 -62.8 132.6 4.3 37.7 24.8 108 110 A G T 3 S+ 0 0 15 1,-0.2 2,-0.7 -55,-0.1 -47,-0.2 0.225 95.7 104.6 99.6 -17.6 5.0 38.8 21.2 109 111 A V < - 0 0 8 -3,-2.2 -1,-0.2 -5,-0.2 -47,-0.1 -0.902 54.3-165.8 -99.4 113.5 4.1 42.4 21.9 110 112 A E - 0 0 19 -2,-0.7 2,-0.3 -49,-0.6 -1,-0.1 0.718 65.3 -7.7 -74.4 -24.3 7.4 44.3 22.0 111 113 A V S S- 0 0 3 -48,-0.0 2,-0.5 -8,-0.0 -48,-0.2 -0.963 79.3 -89.9-161.8 166.7 6.1 47.5 23.6 112 114 A T + 0 0 3 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.763 49.8 172.7 -88.1 126.4 2.9 49.2 24.5 113 115 A T 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-4,-0.6 -3,-0.2 0.634 77.3 140.3 101.4 16.9 19.3 60.2 5.7 210 212 A W < - 0 0 4 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.614 53.7-123.7 -90.7 154.2 16.8 57.4 5.3 211 213 A E E -d 240 0A 38 28,-2.5 30,-2.7 -2,-0.2 2,-0.5 -0.805 27.4-153.3 -91.9 138.4 16.4 55.3 2.2 212 214 A V E +d 241 0A 10 -2,-0.4 2,-0.2 28,-0.2 30,-0.2 -0.972 15.6 178.5-120.8 122.8 12.8 55.5 0.9 213 215 A L E -d 242 0A 29 28,-2.8 30,-2.9 -2,-0.5 2,-0.3 -0.700 14.5-138.5-113.8 168.9 11.3 52.6 -1.1 214 216 A Y E -d 243 0A 126 -2,-0.2 2,-0.4 28,-0.2 30,-0.2 -0.965 19.5-172.4-137.1 150.8 7.8 52.2 -2.6 215 217 A V E -d 244 0A 5 28,-2.1 30,-2.0 -2,-0.3 3,-0.5 -0.877 10.2-170.2-138.2 99.1 5.1 49.7 -3.1 216 218 A E S S+ 0 0 179 -2,-0.4 2,-0.5 1,-0.3 3,-0.1 0.847 81.9 39.0 -60.4 -40.2 2.3 51.1 -5.3 217 219 A N >> + 0 0 61 1,-0.1 4,-2.6 4,-0.1 3,-1.2 -0.634 59.6 159.0-115.4 75.3 -0.2 48.3 -4.7 218 220 A G T 34 + 0 0 0 27,-2.6 -180,-0.3 -2,-0.5 28,-0.2 0.575 69.1 73.8 -69.9 -6.7 0.1 47.3 -1.1 219 221 A N T 34 S- 0 0 20 26,-0.4 -1,-0.2 -3,-0.1 27,-0.1 0.815 124.0 -7.9 -74.9 -31.0 -3.4 45.8 -1.5 220 222 A E T <4 S+ 0 0 120 -3,-1.2 2,-2.2 1,-0.1 3,-0.2 0.559 97.9 106.5-140.1 -21.5 -2.2 42.8 -3.5 221 223 A D X + 0 0 70 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 -0.394 30.7 160.9 -73.8 75.9 1.5 43.0 -4.5 222 224 A L H > S+ 0 0 17 -2,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.903 76.2 50.2 -60.3 -44.0 3.0 40.4 -2.2 223 225 A A H > S+ 0 0 60 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.904 109.8 51.5 -62.0 -41.7 6.2 40.1 -4.4 224 226 A G H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 110.3 47.9 -62.6 -41.8 6.6 43.9 -4.4 225 227 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 113.3 48.5 -63.2 -47.5 6.3 44.1 -0.7 226 228 A A H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.890 110.8 51.2 -59.9 -41.3 8.8 41.2 -0.3 227 229 A K H X S+ 0 0 150 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.893 108.0 51.5 -64.4 -40.6 11.2 42.9 -2.8 228 230 A A H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.8 48.2 -62.5 -43.9 11.1 46.2 -0.9 229 231 A I H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.920 111.5 50.4 -62.8 -43.7 12.0 44.4 2.4 230 232 A A H X S+ 0 0 52 -4,-2.3 4,-0.7 1,-0.2 3,-0.2 0.928 111.4 48.1 -60.0 -46.1 14.8 42.6 0.7 231 233 A Q H >X S+ 0 0 84 -4,-2.6 3,-1.1 1,-0.2 4,-0.9 0.886 105.5 58.9 -62.2 -40.6 16.2 45.8 -0.8 232 234 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.876 101.1 56.2 -57.2 -37.8 15.9 47.5 2.6 233 235 A K H 3< S+ 0 0 53 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.733 99.7 60.3 -67.8 -22.1 18.3 44.8 4.1 234 236 A L H << S+ 0 0 123 -3,-1.1 2,-1.7 -4,-0.7 -1,-0.2 0.791 88.3 73.7 -76.7 -29.2 20.9 45.7 1.5 235 237 A S X< + 0 0 13 -4,-0.9 3,-1.2 -3,-0.6 -1,-0.2 -0.604 56.8 165.5 -86.8 79.7 21.3 49.3 2.6 236 238 A K T 3 S+ 0 0 163 -2,-1.7 -60,-0.9 1,-0.2 -1,-0.2 0.612 70.6 57.4 -71.3 -11.8 23.2 48.6 5.9 237 239 A D T 3 S+ 0 0 95 -61,-0.2 -1,-0.2 -62,-0.1 -62,-0.1 0.349 106.2 47.5-101.4 4.0 24.1 52.2 6.2 238 240 A K S < S- 0 0 89 -3,-1.2 -28,-0.1 -6,-0.2 -1,-0.1 -0.990 78.3-121.3-147.8 135.7 20.6 53.8 6.2 239 241 A P - 0 0 0 0, 0.0 -28,-2.5 0, 0.0 2,-0.4 -0.448 40.2-134.0 -68.7 154.6 17.4 53.0 8.0 240 242 A T E -cd 179 211A 0 -62,-2.3 -60,-3.0 -65,-0.2 2,-0.5 -0.932 18.8-164.6-121.7 139.0 14.7 52.3 5.4 241 243 A L E -cd 180 212A 0 -30,-2.7 -28,-2.8 -2,-0.4 2,-0.7 -0.968 9.1-156.6-116.7 129.1 11.1 53.5 5.0 242 244 A I E -cd 181 213A 3 -62,-3.0 -60,-2.6 -2,-0.5 2,-1.2 -0.920 7.0-151.5-109.7 109.1 8.8 51.7 2.7 243 245 A K E -cd 182 214A 49 -30,-2.9 -28,-2.1 -2,-0.7 2,-0.7 -0.683 21.1-176.0 -80.9 96.8 5.9 53.9 1.5 244 246 A M E -cd 183 215A 2 -62,-2.1 -60,-2.4 -2,-1.2 2,-0.3 -0.863 15.1-146.7-103.0 111.3 3.3 51.2 0.8 245 247 A T E +c 184 0A 46 -30,-2.0 -27,-2.6 -2,-0.7 -26,-0.4 -0.588 29.6 162.3 -78.1 129.2 0.0 52.6 -0.6 246 248 A T - 0 0 6 -62,-1.4 2,-0.6 -2,-0.3 -212,-0.1 -0.893 41.8-112.6-139.6 170.7 -3.1 50.7 0.5 247 249 A T > - 0 0 50 -2,-0.3 3,-1.6 -213,-0.2 -62,-0.1 -0.941 38.6-122.4-108.1 115.3 -6.8 51.1 0.7 248 250 A I T 3 S+ 0 0 6 -2,-0.6 8,-2.8 -63,-0.4 9,-0.3 -0.328 97.0 12.1 -57.8 134.8 -8.0 51.4 4.3 249 251 A G T > S- 0 0 0 -219,-2.2 3,-2.8 6,-0.2 -1,-0.3 0.774 88.4-163.3 67.8 27.2 -10.5 48.7 5.0 250 252 A Y T < S+ 0 0 60 -3,-1.6 -1,-0.2 -220,-0.3 3,-0.1 -0.143 73.9 26.5 -44.5 126.0 -9.7 46.8 1.7 251 253 A G T 3 S+ 0 0 8 1,-0.4 -1,-0.3 -3,-0.1 25,-0.1 -0.080 96.3 111.6 108.0 -34.1 -12.5 44.4 1.0 252 254 A S S X S- 0 0 7 -3,-2.8 3,-1.6 1,-0.1 -1,-0.4 -0.338 79.0-119.9 -71.8 154.9 -15.2 46.4 2.9 253 255 A L T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.778 118.5 44.9 -64.1 -25.1 -18.1 48.0 1.0 254 256 A H T > S+ 0 0 100 -5,-0.1 3,-1.8 3,-0.1 6,-0.3 0.020 80.6 150.4-108.7 27.0 -16.7 51.3 2.5 255 257 A A T < + 0 0 35 -3,-1.6 -6,-0.2 1,-0.3 3,-0.1 -0.298 66.1 30.7 -58.6 141.8 -13.0 50.7 1.9 256 258 A G T 3 S+ 0 0 36 -8,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.377 98.0 112.2 89.8 -5.4 -11.1 54.0 1.4 257 259 A S S X S- 0 0 36 -3,-1.8 3,-1.4 -9,-0.3 -1,-0.3 -0.746 74.1-129.4-102.9 150.7 -13.5 55.8 3.7 258 260 A H G > S+ 0 0 99 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.681 102.5 77.6 -68.4 -15.6 -12.6 57.3 7.1 259 261 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -5,-0.2 3,-0.2 0.736 89.4 53.8 -67.1 -21.7 -15.7 55.5 8.4 260 262 A V G < S+ 0 0 3 -3,-1.4 -230,-1.6 -6,-0.3 -1,-0.3 0.359 85.6 89.5 -94.0 5.9 -13.8 52.2 8.4 261 263 A H S < S- 0 0 32 -3,-1.5 -230,-0.4 1,-0.2 -231,-0.3 0.963 107.3 -1.9 -66.3 -53.8 -11.0 53.6 10.6 262 264 A G S S+ 0 0 35 -4,-0.5 -235,-0.4 -234,-0.2 -234,-0.2 -0.123 108.1 79.6-140.6 48.5 -12.4 52.8 14.0 263 265 A A S S- 0 0 46 -4,-0.2 -233,-0.1 -237,-0.1 -237,-0.1 -0.985 80.6 -99.3-147.8 139.5 -15.8 51.2 14.1 264 266 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.275 44.3-105.0 -60.1 146.6 -16.7 47.5 13.5 265 267 A L - 0 0 12 -247,-0.2 -240,-0.1 1,-0.1 -5,-0.0 -0.428 43.1 -99.5 -69.4 148.2 -17.9 46.7 10.0 266 268 A K >> - 0 0 159 1,-0.1 4,-2.3 -2,-0.1 3,-0.6 -0.307 34.1-106.8 -66.8 155.0 -21.7 46.1 9.8 267 269 A A H 3> S+ 0 0 73 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.897 119.8 46.0 -48.9 -52.1 -22.9 42.4 9.8 268 270 A D H 3> S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.790 109.5 55.6 -65.9 -26.8 -23.8 42.4 6.1 269 271 A D H <> S+ 0 0 6 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.920 108.2 48.8 -69.8 -42.3 -20.5 44.1 5.2 270 272 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.889 109.3 53.7 -63.0 -40.2 -18.7 41.3 6.9 271 273 A K H X S+ 0 0 87 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.950 110.3 44.0 -61.3 -51.1 -20.7 38.7 5.1 272 274 A Q H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.827 111.0 57.0 -65.1 -28.9 -20.0 40.1 1.6 273 275 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.942 109.7 44.2 -65.3 -47.1 -16.3 40.4 2.6 274 276 A K H <>S+ 0 0 6 -4,-2.3 5,-3.3 2,-0.2 3,-0.4 0.945 113.9 48.4 -62.9 -50.0 -16.1 36.7 3.5 275 277 A S H ><5S+ 0 0 66 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.923 108.2 56.7 -56.3 -44.6 -18.0 35.6 0.3 276 278 A K H 3<5S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.2 43.8 -54.2 -40.7 -15.7 37.8 -1.7 277 279 A F T 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.315 124.2-102.5 -90.0 8.4 -12.7 36.0 -0.3 278 280 A G T < 5S+ 0 0 68 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.721 79.9 130.6 80.1 21.4 -14.2 32.6 -0.7 279 281 A F < - 0 0 24 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.689 69.1 -94.0-105.0 160.6 -15.2 32.1 2.9 280 282 A N > - 0 0 72 -2,-0.2 3,-1.8 1,-0.2 -5,-0.0 -0.619 27.9-149.9 -75.1 117.8 -18.5 31.1 4.4 281 283 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 0.629 94.4 56.1 -63.9 -11.6 -20.4 34.3 5.3 282 284 A D T 3 S+ 0 0 120 -11,-0.1 2,-0.3 -8,-0.0 -2,-0.1 0.304 96.3 74.4-104.5 9.8 -22.1 32.5 8.1 283 285 A K < - 0 0 103 -3,-1.8 2,-0.3 3,-0.0 3,-0.2 -0.913 60.3-163.3-121.9 150.4 -19.0 31.3 10.0 284 286 A S + 0 0 66 -2,-0.3 -268,-0.1 1,-0.2 -2,-0.0 -0.923 63.5 22.5-132.5 157.8 -16.6 33.3 12.1 285 287 A F S S+ 0 0 25 -2,-0.3 2,-0.5 -270,-0.2 -1,-0.2 0.926 78.8 169.6 54.6 50.0 -13.1 32.9 13.5 286 288 A V - 0 0 38 -3,-0.2 -1,-0.2 -274,-0.1 -270,-0.1 -0.818 19.7-178.5 -98.8 125.8 -12.2 30.4 10.8 287 289 A V - 0 0 22 -2,-0.5 5,-0.1 -271,-0.0 -278,-0.1 -0.926 24.8-135.5-124.6 105.0 -8.6 29.3 10.3 288 290 A P >> - 0 0 23 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.304 17.8-125.6 -56.4 139.8 -8.2 26.8 7.5 289 291 A Q H 3> S+ 0 0 112 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.871 109.7 64.1 -55.9 -36.8 -5.9 23.9 8.5 290 292 A E H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.775 99.8 54.1 -57.9 -28.5 -3.7 24.7 5.5 291 293 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.923 108.7 45.2 -74.2 -45.4 -2.9 28.0 7.0 292 294 A Y H X S+ 0 0 76 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.934 115.1 50.0 -62.0 -44.6 -1.7 26.6 10.4 293 295 A D H X S+ 0 0 87 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 109.5 51.9 -59.2 -44.2 0.3 24.0 8.4 294 296 A H H X S+ 0 0 33 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.929 113.3 41.9 -59.3 -48.9 1.8 26.7 6.2 295 297 A Y H X>S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-2.2 0.834 109.8 58.5 -69.7 -31.3 2.9 28.9 9.2 296 298 A Q H <>S+ 0 0 81 -4,-2.4 5,-2.7 -5,-0.2 -1,-0.2 0.944 115.5 37.2 -60.1 -44.9 4.1 25.8 11.1 297 299 A K H <5S+ 0 0 163 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.848 125.7 35.4 -76.1 -38.0 6.4 25.1 8.1 298 300 A T H <5S+ 0 0 48 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.706 134.5 8.9 -93.7 -21.8 7.5 28.6 7.1 299 301 A I T X5S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.2 -251,-0.3 0.729 122.3 44.7-122.7 -57.4 7.7 30.4 10.5 300 302 A L H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.879 113.1 49.6 -64.9 -33.8 12.3 27.4 11.2 303 305 A G H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 109.1 50.4 -68.8 -43.3 12.1 29.8 14.1 304 306 A V H X S+ 0 0 59 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.905 112.9 47.5 -60.6 -41.3 12.5 27.1 16.7 305 307 A E H X S+ 0 0 94 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.843 109.5 52.3 -69.8 -35.6 15.5 25.8 14.7 306 308 A A H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 111.4 47.0 -65.8 -42.1 17.1 29.2 14.4 307 309 A N H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.881 111.6 52.8 -65.0 -38.0 16.8 29.7 18.2 308 310 A N H X S+ 0 0 88 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.945 109.4 47.0 -62.7 -49.5 18.2 26.2 18.6 309 311 A K H X S+ 0 0 129 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.873 111.4 52.8 -60.3 -38.6 21.3 27.0 16.4 310 312 A W H X S+ 0 0 19 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.911 106.5 51.4 -64.7 -43.6 21.7 30.3 18.3 311 313 A N H X S+ 0 0 81 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.882 111.1 49.4 -61.0 -37.0 21.7 28.5 21.7 312 314 A K H X S+ 0 0 151 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 111.3 48.8 -66.7 -45.0 24.4 26.2 20.4 313 315 A L H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.895 112.7 47.4 -62.0 -41.3 26.4 29.1 19.1 314 316 A F H X S+ 0 0 19 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.874 107.3 56.5 -68.8 -37.1 26.2 30.9 22.4 315 317 A S H X S+ 0 0 56 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.934 111.4 43.4 -59.0 -45.5 27.1 27.8 24.4 316 318 A E H X S+ 0 0 87 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.854 109.1 58.8 -67.7 -36.0 30.3 27.5 22.4 317 319 A Y H X S+ 0 0 0 -4,-1.9 4,-3.7 1,-0.2 8,-0.3 0.902 102.0 53.6 -61.0 -41.6 30.9 31.3 22.7 318 320 A Q H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.760 110.8 46.7 -66.0 -25.0 30.9 31.0 26.5 319 321 A K H < S+ 0 0 141 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.857 117.5 43.2 -81.6 -38.5 33.6 28.3 26.3 320 322 A K H < S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.878 129.2 26.2 -72.3 -41.9 35.6 30.4 23.8 321 323 A F X + 0 0 46 -4,-3.7 4,-3.0 -5,-0.2 5,-0.3 -0.733 69.6 175.9-126.8 80.5 35.1 33.7 25.7 322 324 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 80.5 42.6 -49.6 -49.6 34.6 32.9 29.4 323 325 A E H > S+ 0 0 173 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.975 120.8 37.4 -66.1 -59.8 34.5 36.5 30.6 324 326 A L H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 118.3 53.7 -61.7 -35.8 32.4 38.0 27.8 325 327 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 -8,-0.3 -1,-0.2 0.915 110.1 44.6 -65.2 -44.5 30.2 34.9 27.8 326 328 A A H X S+ 0 0 58 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.878 112.2 55.1 -66.6 -37.5 29.6 35.0 31.5 327 329 A E H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.955 112.5 40.2 -59.8 -53.3 28.9 38.8 31.2 328 330 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.899 113.4 55.0 -64.8 -40.0 26.2 38.3 28.5 329 331 A A H X S+ 0 0 29 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.927 109.1 48.4 -58.9 -43.8 24.8 35.2 30.2 330 332 A R H ><>S+ 0 0 47 -4,-2.7 5,-1.5 1,-0.2 3,-0.6 0.947 111.9 48.9 -59.9 -49.6 24.4 37.3 33.4 331 333 A R H ><5S+ 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0 0 28 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.942 113.5 44.1 -61.5 -48.2 -18.0 58.3 59.1 1342 665 B A H >< S+ 0 0 69 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.879 108.7 59.4 -64.0 -38.3 -17.1 55.5 61.5 1343 666 B F H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.2 34.2 -58.4 -36.8 -13.4 56.4 61.1 1344 667 B Y H >< S+ 0 0 25 -4,-1.5 3,-2.8 -3,-0.3 -1,-0.2 0.408 80.9 136.9-102.5 0.1 -14.0 59.9 62.4 1345 668 B K T << S+ 0 0 157 -4,-0.8 3,-0.1 -3,-0.6 -3,-0.1 -0.253 80.5 11.3 -50.8 125.8 -16.7 59.2 65.0 1346 669 B G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.367 103.3 118.4 87.0 -5.8 -15.9 61.3 68.1 1347 670 B D < - 0 0 42 -3,-2.8 2,-0.7 1,-0.0 -1,-0.3 -0.596 67.4-119.8 -95.5 156.9 -13.2 63.3 66.5 1348 671 B K - 0 0 133 -2,-0.2 2,-0.4 -679,-0.1 -679,-0.1 -0.850 33.9-154.3 -93.0 118.3 -13.0 67.1 66.0 1349 672 B L - 0 0 16 -2,-0.7 -63,-3.2 -61,-0.0 2,-0.4 -0.817 8.5-161.8-103.2 137.8 -12.8 67.8 62.3 1350 673 B I - 0 0 44 -2,-0.4 -65,-0.1 -65,-0.2 -2,-0.0 -0.900 33.0-102.0-112.7 139.5 -11.2 70.8 60.7 1351 674 B S > - 0 0 2 -2,-0.4 3,-1.6 1,-0.2 -66,-0.1 -0.360 24.5-130.9 -59.3 135.1 -11.8 71.9 57.1 1352 675 B P T 3 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -48,-0.1 0.661 104.0 71.5 -62.0 -12.6 -8.9 70.9 54.9 1353 676 B L T 3 S+ 0 0 4 -70,-0.3 2,-0.3 -50,-0.2 -73,-0.1 0.774 72.4 98.8 -74.6 -28.8 -9.1 74.5 53.7 1354 677 B K < - 0 0 75 -3,-1.6 2,-0.3 -74,-0.0 -4,-0.0 -0.465 56.9-165.0 -69.5 125.2 -7.8 76.1 56.9 1355 678 B K - 0 0 109 -2,-0.3 -728,-0.1 1,-0.1 -2,-0.1 -0.795 24.8-144.9-110.3 152.4 -4.1 77.0 56.7 1356 679 B A 0 0 16 -2,-0.3 -1,-0.1 1,-0.2 -692,-0.1 0.599 360.0 360.0 -88.1 -13.4 -1.7 77.9 59.5 1357 680 B F 0 0 79 -696,-0.0 -1,-0.2 -693,-0.0 -700,-0.0 -0.979 360.0 360.0-163.9 360.0 0.1 80.5 57.4