==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-04 1S5O . COMPND 2 MOLECULE: CARNITINE ACETYLTRANSFERASE ISOFORM 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.GOVINDASAMY,T.KUKAR,W.LIAN,B.PEDERSEN,Y.GU,M.AGBANDJE- . 591 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 9.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 1 0 1 1 0 1 2 2 2 1 2 0 1 0 1 1 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 9 A H 0 0 254 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.0 70.0 6.8 -0.3 2 10 A H - 0 0 165 3,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.934 360.0-101.4-146.9 166.4 66.4 7.7 0.7 3 11 A T - 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.516 56.5 -76.9 -88.0 164.3 62.9 6.4 1.6 4 12 A D - 0 0 138 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.001 54.3 -93.2 -56.8 159.5 60.0 6.3 -0.9 5 13 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.288 45.9-101.0 -69.3 161.6 58.0 9.4 -1.8 6 14 A L - 0 0 29 1,-0.1 425,-0.1 425,-0.0 424,-0.1 -0.393 43.3 -90.9 -77.7 159.1 54.9 10.2 0.2 7 15 A P - 0 0 77 0, 0.0 425,-2.7 0, 0.0 2,-0.2 -0.319 46.1-108.5 -63.4 154.6 51.4 9.5 -1.2 8 16 A R - 0 0 136 423,-0.2 59,-0.1 1,-0.1 425,-0.1 -0.548 40.4 -87.8 -84.7 150.3 49.7 12.3 -3.2 9 17 A L - 0 0 10 423,-0.4 59,-0.4 57,-0.4 -1,-0.1 -0.350 52.4-130.9 -53.8 123.1 46.8 14.2 -1.8 10 18 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 421,-0.0 -0.379 0.5-131.2 -76.7 156.9 43.7 12.3 -2.9 11 19 A V - 0 0 26 -2,-0.1 3,-0.1 48,-0.0 474,-0.0 -0.943 33.2-132.5 -96.8 117.1 40.6 13.6 -4.5 12 20 A P - 0 0 8 0, 0.0 473,-0.1 0, 0.0 472,-0.0 -0.331 29.4 -90.3 -68.5 154.3 37.7 12.2 -2.5 13 21 A P > - 0 0 64 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.357 34.7-125.5 -55.1 141.4 34.7 10.6 -4.3 14 22 A L H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.946 108.1 48.9 -58.0 -50.4 32.0 13.2 -5.0 15 23 A Q H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.908 107.4 55.3 -61.2 -35.4 29.2 11.3 -3.3 16 24 A Q H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 113.3 41.7 -66.7 -37.9 31.3 10.7 -0.2 17 25 A S H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.922 112.7 51.1 -73.7 -44.6 31.9 14.5 0.1 18 26 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.893 111.8 49.1 -62.2 -34.7 28.3 15.6 -0.7 19 27 A D H X S+ 0 0 64 -4,-2.2 4,-3.3 -5,-0.3 -1,-0.2 0.907 112.1 48.0 -67.5 -41.7 26.9 13.2 1.8 20 28 A H H X S+ 0 0 51 -4,-1.7 4,-3.2 -5,-0.3 -2,-0.2 0.943 110.8 52.2 -63.9 -42.1 29.3 14.4 4.4 21 29 A Y H X S+ 0 0 1 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.945 111.4 46.0 -54.2 -52.7 28.4 18.0 3.5 22 30 A L H X S+ 0 0 6 -4,-2.7 4,-1.2 1,-0.2 3,-0.4 0.922 112.6 50.8 -61.3 -44.4 24.7 17.2 3.9 23 31 A K H >< S+ 0 0 119 -4,-3.3 3,-0.6 1,-0.2 421,-0.3 0.941 110.5 49.9 -54.1 -47.9 25.5 15.5 7.2 24 32 A A H 3< S+ 0 0 14 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.728 105.3 57.6 -67.9 -22.1 27.5 18.5 8.4 25 33 A L H >X S+ 0 0 2 -4,-1.7 3,-2.2 -3,-0.4 4,-1.3 0.828 82.8 85.5 -74.7 -30.9 24.6 21.0 7.5 26 34 A Q T << S+ 0 0 105 -4,-1.2 3,-0.3 -3,-0.6 -1,-0.2 0.815 91.3 42.8 -45.2 -47.3 22.0 19.4 9.7 27 35 A P T 34 S+ 0 0 15 0, 0.0 392,-0.5 0, 0.0 -1,-0.3 0.664 120.2 40.1 -78.7 -9.0 22.8 21.2 13.0 28 36 A I T <4 S+ 0 0 29 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.411 105.0 61.1-122.7 -0.4 23.4 24.7 11.5 29 37 A V S < S- 0 0 16 -4,-1.3 484,-0.0 -3,-0.3 -1,-0.0 -0.943 84.7 -99.4-125.4 156.0 20.7 25.2 8.9 30 38 A S > - 0 0 52 -2,-0.3 4,-3.8 1,-0.1 5,-0.2 -0.208 33.9-108.8 -67.4 159.2 16.9 25.3 9.1 31 39 A E H > S+ 0 0 180 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 122.7 47.7 -48.7 -44.3 14.7 22.3 8.2 32 40 A E H > S+ 0 0 168 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 112.2 47.3 -72.7 -40.4 13.6 24.2 5.1 33 41 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 111.2 53.2 -67.3 -40.9 17.1 25.2 4.1 34 42 A W H X S+ 0 0 79 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.918 109.7 46.6 -60.3 -40.8 18.3 21.6 4.6 35 43 A A H X S+ 0 0 58 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.935 113.0 49.0 -70.5 -38.4 15.6 20.2 2.3 36 44 A H H X S+ 0 0 90 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.923 112.1 49.6 -59.0 -44.2 16.3 22.8 -0.3 37 45 A T H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.874 107.2 53.9 -65.8 -36.3 20.0 22.1 -0.1 38 46 A K H X S+ 0 0 67 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.904 109.3 48.7 -67.8 -36.3 19.4 18.4 -0.4 39 47 A Q H X S+ 0 0 92 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.933 112.3 48.7 -67.6 -38.9 17.4 19.0 -3.6 40 48 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 110.8 50.0 -62.3 -43.0 20.2 21.2 -4.8 41 49 A V H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.850 109.7 52.9 -67.1 -32.0 22.8 18.5 -3.9 42 50 A D H < S+ 0 0 70 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.903 110.0 45.5 -68.5 -44.5 20.7 16.0 -5.8 43 51 A E H < S+ 0 0 97 -4,-2.7 3,-0.5 1,-0.2 7,-0.3 0.882 112.8 55.3 -64.5 -30.8 20.5 18.1 -8.9 44 52 A F H < S+ 0 0 9 -4,-2.2 7,-2.0 1,-0.2 8,-0.5 0.927 112.7 36.7 -68.6 -47.5 24.3 18.6 -8.5 45 53 A Q S < S+ 0 0 40 -4,-2.2 -1,-0.2 6,-0.2 -2,-0.2 0.361 89.1 137.3 -87.6 6.0 25.4 15.0 -8.4 46 54 A A > - 0 0 41 -3,-0.5 3,-2.1 -4,-0.5 6,-0.4 -0.215 69.7 -93.1 -55.1 140.9 22.8 14.0 -11.0 47 55 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 4,-0.1 3,-0.1 -0.305 118.2 14.7 -50.5 130.8 24.0 11.6 -13.6 48 56 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.750 109.1 131.1 69.5 23.0 25.1 13.8 -16.5 49 57 A G S <> S- 0 0 17 -3,-2.1 4,-1.0 -4,-0.1 -1,-0.2 -0.348 74.1 -92.7-103.4-176.7 25.1 16.8 -14.2 50 58 A V H > S+ 0 0 72 -7,-0.3 4,-1.9 1,-0.2 5,-0.2 0.841 116.5 55.0 -61.2 -38.5 27.5 19.7 -13.3 51 59 A G H > S+ 0 0 0 -7,-2.0 4,-2.3 1,-0.2 5,-0.2 0.900 102.4 54.0 -72.0 -40.1 29.1 18.0 -10.3 52 60 A E H > S+ 0 0 85 -8,-0.5 4,-1.8 -6,-0.4 -1,-0.2 0.862 109.8 49.4 -61.7 -34.5 30.3 14.8 -12.1 53 61 A R H X S+ 0 0 158 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.943 110.6 48.5 -71.3 -45.4 32.0 17.0 -14.7 54 62 A L H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.851 109.7 54.1 -61.5 -35.7 33.8 19.1 -12.1 55 63 A Q H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.900 104.8 52.6 -66.6 -41.3 34.9 15.9 -10.3 56 64 A K H X S+ 0 0 78 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.870 107.0 55.5 -63.7 -28.9 36.5 14.5 -13.4 57 65 A G H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.912 107.7 46.6 -69.6 -39.4 38.4 17.8 -13.7 58 66 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.944 110.4 53.1 -64.6 -42.0 39.8 17.5 -10.2 59 67 A E H X S+ 0 0 72 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.890 110.3 49.0 -60.3 -35.2 40.8 13.9 -10.9 60 68 A R H X S+ 0 0 100 -4,-1.7 4,-1.1 -5,-0.2 3,-0.4 0.949 109.3 52.4 -64.2 -49.1 42.5 15.2 -14.0 61 69 A R H >X S+ 0 0 38 -4,-2.6 3,-1.2 1,-0.3 4,-1.0 0.930 105.3 52.9 -52.9 -53.9 44.3 17.9 -12.0 62 70 A A H 3< S+ 0 0 29 -4,-2.9 3,-0.4 1,-0.3 -1,-0.3 0.841 107.0 55.0 -56.7 -28.9 45.6 15.4 -9.4 63 71 A R H 3< S+ 0 0 162 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.810 113.3 40.8 -73.1 -26.1 47.0 13.4 -12.3 64 72 A K H << S+ 0 0 159 -3,-1.2 2,-0.3 -4,-1.1 -1,-0.2 0.402 113.4 55.1 -99.3 -4.4 48.9 16.4 -13.7 65 73 A T S < S- 0 0 39 -4,-1.0 3,-0.2 -3,-0.4 4,-0.0 -0.845 73.9-127.4-131.8 165.7 50.2 18.0 -10.4 66 74 A E S S+ 0 0 109 1,-0.3 -57,-0.4 -2,-0.3 2,-0.3 0.774 110.1 10.4 -79.0 -31.5 52.2 17.0 -7.3 67 75 A N S > S- 0 0 10 -59,-0.1 3,-0.8 -6,-0.1 4,-0.5 -0.896 72.1-150.5-148.6 112.1 49.4 18.2 -5.2 68 76 A W T 3 S+ 0 0 7 -59,-0.4 4,-0.2 -2,-0.3 -6,-0.1 0.705 95.2 38.4 -63.0 -16.8 46.1 19.1 -6.9 69 77 A L T 3> S+ 0 0 6 2,-0.1 4,-2.9 3,-0.1 5,-0.3 0.703 87.0 91.9-105.7 -19.6 45.2 21.7 -4.3 70 78 A S H <> S+ 0 0 35 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.874 91.0 40.0 -60.2 -47.0 48.4 23.5 -3.4 71 79 A E H > S+ 0 0 139 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.931 116.9 51.2 -65.0 -41.7 48.4 26.4 -5.8 72 80 A W H > S+ 0 0 19 -4,-0.2 4,-3.1 1,-0.2 5,-0.3 0.932 112.3 45.2 -59.8 -46.2 44.7 27.0 -5.4 73 81 A W H X>S+ 0 0 29 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.930 111.3 51.5 -67.1 -43.7 44.9 27.1 -1.6 74 82 A L H X>S+ 0 0 52 -4,-2.4 5,-2.3 -5,-0.3 4,-1.5 0.952 117.0 42.0 -53.0 -50.2 48.0 29.4 -1.5 75 83 A K H <>S+ 0 0 66 -4,-2.3 5,-2.4 -5,-0.2 6,-0.2 0.899 120.0 38.3 -66.6 -47.9 46.2 31.8 -3.9 76 84 A T H <5S+ 0 0 46 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.923 122.2 39.9 -82.4 -36.9 42.7 31.8 -2.4 77 85 A A H <5S- 0 0 25 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.802 137.3 -3.8 -77.9 -25.5 43.6 31.6 1.3 78 86 A Y T ><>S+ 0 0 2 138,-0.4 5,-3.3 140,-0.4 4,-2.1 0.790 81.5 98.3 -76.1 -26.4 48.0 40.3 6.9 86 94 A V B 45S-a 90 0A 0 137,-0.2 2,-2.5 1,-0.2 195,-0.1 -0.430 106.4 -16.0 -60.2 129.0 48.3 41.7 10.5 87 95 A I T 45S+ 0 0 1 3,-0.5 451,-2.2 193,-0.5 -1,-0.2 -0.234 135.1 64.2 69.5 -50.6 45.7 40.1 12.8 88 96 A Y T 45S- 0 0 56 -2,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 0.741 125.7 -1.8 -76.7 -20.4 43.6 38.7 9.9 89 97 A S T <5S+ 0 0 12 -4,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.660 108.5 77.9-139.8 -49.2 46.3 36.4 8.6 90 98 A S B < -a 86 0A 1 -5,-3.3 -3,-0.5 223,-0.1 -1,-0.2 -0.646 66.9-147.0 -81.7 111.7 49.7 36.3 10.3 91 99 A P - 0 0 2 0, 0.0 221,-2.4 0, 0.0 2,-0.3 -0.473 9.7-146.3 -77.2 148.1 49.4 34.3 13.6 92 100 A G E -BC 311 536B 0 444,-2.1 444,-1.9 219,-0.2 2,-0.4 -0.779 3.2-149.9-112.6 160.8 51.6 35.2 16.5 93 101 A V E -BC 310 535B 0 217,-2.9 217,-2.1 -2,-0.3 2,-0.5 -0.994 3.0-154.6-132.0 133.1 53.2 33.2 19.3 94 102 A M E -BC 309 534B 9 440,-2.6 440,-1.4 -2,-0.4 215,-0.3 -0.950 12.6-158.0-110.4 126.8 53.9 34.2 22.9 95 103 A L - 0 0 5 213,-2.3 213,-0.3 -2,-0.5 438,-0.1 -0.445 39.4 -79.1 -90.5 167.9 56.7 32.4 24.7 96 104 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.511 64.8 -95.9 -59.6 144.6 57.1 32.2 28.5 97 105 A K - 0 0 110 210,-0.1 210,-0.2 1,-0.1 2,-0.1 -0.433 45.6-123.7 -63.5 137.6 58.5 35.5 29.5 98 106 A Q - 0 0 40 208,-3.2 -1,-0.1 -2,-0.1 8,-0.0 -0.372 9.8-119.1 -83.8 168.1 62.3 35.4 29.8 99 107 A D + 0 0 133 -2,-0.1 7,-0.1 6,-0.1 -1,-0.1 0.798 67.6 119.4 -69.5 -45.0 64.4 36.2 32.9 100 108 A F + 0 0 14 5,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.112 30.0 174.9 -44.8 145.7 66.6 39.0 31.6 101 109 A V + 0 0 131 1,-0.1 2,-0.3 205,-0.0 -1,-0.1 0.184 62.1 47.1-137.9 -3.3 66.4 42.4 33.4 102 110 A D S >> S- 0 0 89 1,-0.1 4,-2.5 203,-0.0 3,-0.5 -0.958 90.9-100.4-142.5 163.0 69.1 44.4 31.7 103 111 A L H 3> S+ 0 0 58 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.825 120.6 58.0 -52.2 -34.8 70.1 45.1 28.1 104 112 A Q H 3> S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.958 109.3 43.9 -60.8 -48.5 73.0 42.6 28.4 105 113 A G H <> S+ 0 0 13 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.862 114.2 51.1 -62.4 -44.2 70.5 39.8 29.3 106 114 A Q H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.937 115.8 39.7 -60.3 -46.6 68.2 40.9 26.5 107 115 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.828 112.6 56.3 -79.9 -26.8 70.9 40.9 23.9 108 116 A R H X S+ 0 0 96 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.924 110.5 45.5 -59.6 -49.2 72.4 37.7 25.2 109 117 A F H X S+ 0 0 20 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.961 112.7 48.8 -64.1 -50.2 69.1 36.0 24.8 110 118 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.905 110.6 54.4 -54.1 -39.8 68.5 37.4 21.3 111 119 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 110.4 44.0 -55.6 -50.2 72.1 36.2 20.6 112 120 A K H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.869 110.8 55.6 -67.2 -38.1 71.3 32.7 21.7 113 121 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.938 109.5 46.5 -56.7 -49.0 68.0 32.8 19.8 114 122 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.936 110.7 52.3 -63.8 -41.8 69.9 33.7 16.6 115 123 A E H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 110.0 49.6 -58.0 -42.6 72.5 30.9 17.3 116 124 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.920 107.8 52.2 -65.1 -41.0 69.7 28.4 17.7 117 125 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.927 111.0 48.8 -59.7 -41.3 68.0 29.5 14.5 118 126 A L H X S+ 0 0 4 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.831 109.2 52.2 -70.1 -33.4 71.3 29.0 12.6 119 127 A D H >X S+ 0 0 53 -4,-2.2 3,-1.4 2,-0.2 4,-0.8 0.966 111.4 45.7 -64.3 -50.0 71.8 25.6 14.1 120 128 A F H >X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.3 3,-1.0 0.928 106.0 63.4 -56.2 -40.7 68.4 24.5 13.0 121 129 A K H 3X S+ 0 0 10 -4,-2.5 4,-3.6 -5,-0.3 5,-0.3 0.785 88.5 69.1 -56.8 -26.1 69.2 26.0 9.7 122 130 A V H S+ 0 0 33 -3,-1.0 4,-2.4 -4,-0.8 5,-2.1 0.887 114.3 54.1 -73.0 -34.7 69.6 20.7 8.8 124 132 A I H ><5S+ 0 0 12 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.991 111.8 42.7 -58.1 -57.7 67.4 22.9 6.7 125 133 A D H 3<5S+ 0 0 77 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 122.8 40.7 -58.7 -31.5 70.2 23.8 4.3 126 134 A N H 3<5S- 0 0 94 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.663 104.4-126.4 -90.7 -19.4 71.3 20.2 4.3 127 135 A E T <<5S+ 0 0 126 -4,-2.4 -3,-0.2 -3,-0.6 -4,-0.1 0.867 72.0 126.6 69.6 42.7 67.8 18.6 4.2 128 136 A T < + 0 0 80 -5,-2.1 -4,-0.2 -6,-0.1 -5,-0.1 0.162 21.7 140.0-118.8 15.2 68.7 16.5 7.2 129 137 A L - 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