==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION INHIBITOR 22-AUG-12 4GQ3 . COMPND 2 MOLECULE: MENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SHI,M.J.MURAI,S.HE,G.L.LUND,T.HARTLEY,T.PUROHIT,G.REDDY,M. . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 2 1 0 1 0 1 2 0 4 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 62 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 93.8 -7.1 -17.8 -1.2 2 3 A L - 0 0 24 64,-0.1 2,-0.2 1,-0.1 5,-0.0 -0.522 360.0-123.0 -72.2 140.4 -10.8 -16.7 -1.5 3 4 A K >> - 0 0 130 -2,-0.2 3,-0.9 1,-0.1 4,-0.7 -0.485 20.2-113.7 -84.2 151.4 -13.4 -19.2 -0.4 4 5 A A H >> S+ 0 0 82 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.895 117.2 55.2 -48.0 -46.0 -16.1 -20.4 -2.8 5 6 A A H 34 S+ 0 0 60 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.789 102.0 57.0 -63.1 -31.4 -18.8 -18.8 -0.6 6 7 A Q H <4 S+ 0 0 11 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.658 105.9 52.6 -67.6 -17.2 -17.0 -15.4 -0.8 7 8 A K H X< S+ 0 0 80 -3,-1.6 3,-1.4 -4,-0.7 -1,-0.2 0.640 81.1 87.8 -99.3 -15.8 -17.2 -15.5 -4.6 8 9 A T T 3< S+ 0 0 115 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.738 82.5 57.1 -65.4 -28.2 -20.9 -16.1 -5.2 9 10 A L T 3 S+ 0 0 64 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.677 88.6 144.2 -78.5 -11.8 -22.1 -12.5 -5.2 10 11 A F < + 0 0 24 -3,-1.4 51,-0.1 -4,-0.1 2,-0.1 -0.414 37.9 54.2 -75.0 152.4 -19.8 -11.4 -8.0 11 12 A P S S- 0 0 41 0, 0.0 2,-0.7 0, 0.0 50,-0.2 0.487 75.8-150.4 -77.0 149.5 -19.9 -9.6 -10.3 12 13 A L B +A 60 0A 0 48,-2.2 48,-2.5 1,-0.1 -2,-0.1 -0.778 23.0 170.6 -87.3 118.3 -20.8 -6.6 -8.2 13 14 A R + 0 0 144 -2,-0.7 2,-0.3 46,-0.2 -1,-0.1 0.401 55.5 20.5-109.1 -2.2 -22.9 -4.3 -10.5 14 15 A S S > S- 0 0 18 1,-0.1 4,-1.7 44,-0.1 5,-0.1 -0.967 81.6 -95.3-158.6 166.9 -24.2 -1.8 -8.1 15 16 A I H > S+ 0 0 10 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.911 124.4 52.9 -51.0 -49.0 -23.9 0.0 -4.8 16 17 A D H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.839 103.8 54.7 -64.3 -33.9 -26.4 -2.4 -3.4 17 18 A D H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 108.6 50.2 -63.6 -35.9 -24.4 -5.5 -4.6 18 19 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.933 109.1 51.2 -66.1 -44.6 -21.4 -4.0 -2.7 19 20 A V H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.898 108.1 52.9 -56.6 -41.9 -23.6 -3.6 0.4 20 21 A R H X S+ 0 0 124 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.881 107.0 51.5 -62.0 -38.8 -24.6 -7.3 0.0 21 22 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.932 110.9 48.5 -63.9 -44.1 -21.0 -8.3 -0.1 22 23 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.912 111.0 50.0 -58.4 -40.6 -20.4 -6.4 3.1 23 24 A A H X S+ 0 0 43 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.905 111.7 48.8 -65.3 -40.0 -23.4 -8.0 4.8 24 25 A A H >< S+ 0 0 47 -4,-2.5 3,-0.8 1,-0.2 4,-0.2 0.949 113.9 45.6 -66.5 -48.0 -22.2 -11.4 3.8 25 26 A E H >< S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.886 108.9 55.0 -61.2 -39.2 -18.7 -10.8 5.1 26 27 A L H 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.708 104.8 56.4 -69.1 -20.1 -20.0 -9.3 8.3 27 28 A G T << S+ 0 0 68 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.378 92.0 88.9 -90.2 -1.0 -22.0 -12.5 8.9 28 29 A R S < S- 0 0 83 -3,-1.5 -3,-0.0 -4,-0.2 0, 0.0 -0.507 94.3-108.1 -89.0 166.4 -18.9 -14.7 8.6 29 30 A E S S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.907 110.9 17.6 -60.8 -40.8 -16.8 -15.5 11.7 30 31 A E S S- 0 0 43 181,-0.1 -1,-0.3 182,-0.0 -3,-0.1 -0.939 83.9-136.4-130.3 106.1 -14.0 -13.2 10.4 31 32 A P - 0 0 0 0, 0.0 2,-1.1 0, 0.0 -5,-0.1 -0.388 29.2-112.5 -65.2 146.4 -14.8 -10.6 7.7 32 33 A D > - 0 0 14 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.625 31.4-173.9 -87.4 101.5 -12.2 -10.5 5.1 33 34 A L H > S+ 0 0 0 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.835 83.2 52.0 -63.2 -38.4 -10.5 -7.2 5.4 34 35 A V H > S+ 0 0 0 108,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 111.5 46.2 -65.0 -47.2 -8.3 -7.7 2.3 35 36 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.928 116.0 46.1 -59.5 -47.3 -11.3 -8.6 0.0 36 37 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 112.6 47.6 -67.7 -41.6 -13.3 -5.7 1.3 37 38 A S H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 86,-0.6 0.868 111.8 51.2 -66.0 -38.2 -10.6 -3.0 1.1 38 39 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.7 47.7 -63.8 -43.3 -9.8 -4.1 -2.5 39 40 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.936 114.0 46.0 -62.7 -50.4 -13.4 -3.9 -3.5 40 41 A L H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.907 114.3 48.8 -59.1 -42.5 -13.9 -0.4 -1.9 41 42 A G H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.886 111.0 50.4 -68.2 -35.5 -10.6 0.8 -3.5 42 43 A F H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.942 114.4 43.0 -63.1 -51.5 -11.6 -0.5 -6.9 43 44 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 5,-0.2 0.929 114.6 50.3 -66.6 -39.0 -15.0 1.1 -6.8 44 45 A E H X>S+ 0 0 6 -4,-2.8 4,-2.5 -5,-0.2 5,-1.2 0.906 108.2 53.9 -66.0 -38.3 -13.6 4.4 -5.4 45 46 A H H X>S+ 0 0 51 -4,-2.2 5,-2.8 -5,-0.2 4,-0.9 0.947 113.9 40.9 -59.8 -44.1 -10.9 4.4 -8.1 46 47 A F H <5S+ 0 0 68 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.547 122.3 40.7 -86.3 -4.5 -13.6 4.1 -10.9 47 48 A L H <5S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.626 133.5 13.9-109.8 -23.4 -16.0 6.6 -9.2 48 49 A A H <5S+ 0 0 5 -4,-2.5 3,-0.2 -5,-0.2 -3,-0.2 0.654 128.9 39.9-122.0 -34.4 -13.7 9.3 -7.9 49 50 A V T < + 0 0 90 -2,-0.3 3,-1.9 -3,-0.2 2,-0.1 0.339 33.5 133.4 -94.8 9.1 -14.7 8.2 -14.3 52 53 A V T 3 S+ 0 0 126 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.387 79.1 12.1 -58.7 125.6 -13.9 7.7 -18.0 53 74 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.254 89.1 146.4 91.9 -13.8 -16.4 5.2 -19.3 54 75 A L < + 0 0 45 -3,-1.9 -1,-0.3 1,-0.2 -3,-0.1 -0.366 11.8 160.2 -58.0 128.1 -18.7 5.3 -16.3 55 76 A T S S- 0 0 138 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.563 78.8 -32.2-124.1 -25.7 -22.3 4.8 -17.2 56 77 A Y S S- 0 0 155 1,-0.1 -2,-0.1 -42,-0.0 178,-0.0 0.144 119.1 -8.7-152.0 -62.5 -23.7 3.7 -13.8 57 78 A F - 0 0 14 -44,-0.1 2,-0.9 -43,-0.1 -2,-0.1 -0.993 68.5-106.7-151.9 140.8 -21.4 1.7 -11.6 58 79 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -44,-0.1 -0.586 41.9-130.2 -76.9 108.2 -18.0 0.2 -12.2 59 80 A V - 0 0 49 -2,-0.9 2,-1.0 -46,-0.1 -46,-0.2 -0.360 13.1-146.9 -63.5 126.3 -18.7 -3.5 -12.4 60 81 A A B -A 12 0A 0 -48,-2.5 -48,-2.2 -2,-0.1 2,-0.2 -0.821 16.1-159.7 -98.1 100.0 -16.4 -5.5 -10.2 61 82 A D > - 0 0 71 -2,-1.0 4,-2.4 -50,-0.2 5,-0.3 -0.520 23.1-125.6 -77.2 144.0 -15.7 -8.8 -11.9 62 83 A L H > S+ 0 0 52 1,-0.2 4,-3.2 -2,-0.2 5,-0.3 0.880 109.4 57.4 -55.0 -40.9 -14.5 -11.7 -9.8 63 84 A S H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 110.2 44.1 -60.5 -42.0 -11.5 -12.2 -12.1 64 85 A I H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.959 118.4 42.1 -63.0 -54.2 -10.3 -8.6 -11.5 65 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 114.0 51.3 -66.3 -41.1 -10.8 -8.7 -7.8 66 87 A A H X S+ 0 0 31 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.2 0.866 108.6 52.3 -65.7 -31.4 -9.4 -12.2 -7.3 67 88 A A H X S+ 0 0 56 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.899 109.9 47.8 -71.3 -37.9 -6.3 -11.2 -9.2 68 89 A L H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.909 112.0 50.8 -61.5 -43.0 -5.7 -8.2 -7.0 69 90 A Y H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.912 109.3 51.2 -62.3 -43.5 -6.3 -10.4 -3.9 70 91 A A H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.901 106.8 53.6 -60.7 -42.6 -3.8 -12.9 -5.2 71 92 A R H X S+ 0 0 133 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 112.6 44.5 -59.9 -44.9 -1.2 -10.1 -5.7 72 93 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.967 115.1 44.9 -63.8 -52.4 -1.6 -9.0 -2.1 73 94 A T H X S+ 0 0 11 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.888 113.9 50.7 -62.1 -37.2 -1.6 -12.5 -0.5 74 95 A A H X S+ 0 0 67 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.875 110.3 50.0 -65.6 -40.3 1.4 -13.6 -2.7 75 96 A Q H X S+ 0 0 66 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.905 117.7 39.2 -63.5 -46.4 3.4 -10.4 -1.7 76 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 3,-0.4 0.957 117.0 47.0 -72.1 -48.7 2.7 -10.9 2.1 77 98 A R H < S+ 0 0 115 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.876 114.1 48.7 -68.0 -32.5 3.1 -14.7 2.2 78 99 A G H < S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.816 116.6 40.9 -74.8 -27.5 6.3 -14.7 0.2 79 100 A A H < S+ 0 0 44 -4,-1.1 2,-0.7 -3,-0.4 -2,-0.2 0.734 110.4 59.0 -93.0 -24.5 8.0 -11.9 2.3 80 101 A V < - 0 0 3 -4,-2.3 2,-1.0 -5,-0.1 -1,-0.2 -0.858 66.8-164.4-112.1 100.9 6.9 -13.0 5.7 81 102 A D > - 0 0 81 -2,-0.7 3,-1.8 1,-0.2 4,-0.2 -0.693 2.3-164.1 -82.0 102.6 8.0 -16.5 6.7 82 103 A L G > S+ 0 0 63 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.737 81.5 70.0 -61.1 -25.6 5.9 -17.6 9.7 83 104 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.717 92.2 60.6 -63.4 -20.0 8.2 -20.5 10.7 84 105 A L G < S+ 0 0 116 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.575 105.3 49.9 -82.5 -11.8 10.8 -17.9 11.7 85 106 A Y S < S- 0 0 45 -3,-1.6 -1,-0.2 -4,-0.2 8,-0.1 -0.706 84.5-151.4-129.0 72.6 8.4 -16.4 14.3 86 107 A P - 0 0 101 0, 0.0 2,-0.6 0, 0.0 10,-0.1 -0.232 8.9-147.2 -53.9 129.5 7.0 -19.3 16.4 87 108 A R - 0 0 83 -5,-0.1 3,-0.3 5,-0.1 2,-0.3 -0.891 16.0-175.8-104.0 112.4 3.5 -18.6 17.8 88 109 A E S > S+ 0 0 163 -2,-0.6 3,-2.2 3,-0.4 0, 0.0 -0.717 70.3 13.5 -97.4 156.4 2.5 -20.0 21.2 89 110 A G T 3 S- 0 0 83 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.607 124.3 -74.2 59.8 16.2 -1.0 -19.6 22.7 90 111 A G T 3 S+ 0 0 46 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.786 104.2 122.6 64.3 30.1 -2.4 -18.5 19.3 91 112 A V < - 0 0 37 -3,-2.2 -3,-0.4 59,-0.1 -1,-0.2 -0.951 57.0-124.1-128.9 151.0 -0.7 -15.1 19.8 92 113 A S - 0 0 6 -2,-0.3 2,-0.2 -5,-0.1 -5,-0.1 -0.402 20.7-125.6 -89.7 161.5 1.8 -13.1 17.7 93 114 A S > - 0 0 31 -8,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.661 22.9-114.6-104.6 157.5 5.2 -11.7 18.8 94 115 A R H > S+ 0 0 67 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.861 117.3 56.2 -57.5 -36.0 6.5 -8.2 18.5 95 116 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 107.9 47.8 -64.0 -38.1 9.1 -9.4 16.0 96 117 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 111.6 48.8 -67.7 -44.5 6.4 -10.8 13.7 97 118 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.922 112.7 49.5 -63.6 -39.0 4.3 -7.6 13.9 98 119 A K H X S+ 0 0 66 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.865 108.5 53.1 -66.4 -36.2 7.4 -5.6 13.1 99 120 A K H X S+ 0 0 68 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 109.3 47.6 -67.0 -40.5 8.3 -7.8 10.2 100 121 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.935 112.1 50.9 -65.8 -43.2 4.8 -7.4 8.7 101 122 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.900 109.8 49.7 -57.5 -44.1 5.1 -3.6 9.2 102 123 A D H X S+ 0 0 39 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.884 108.0 54.5 -61.5 -42.7 8.5 -3.6 7.5 103 124 A V H X S+ 0 0 13 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.936 112.5 42.2 -57.8 -49.1 7.1 -5.6 4.5 104 125 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.966 117.0 48.5 -61.4 -51.1 4.3 -3.0 4.0 105 126 A W H >< S+ 0 0 79 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.903 109.6 49.7 -53.3 -50.3 6.7 -0.1 4.5 106 127 A N H 3< S+ 0 0 124 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.616 103.8 63.5 -70.7 -12.0 9.4 -1.3 2.2 107 128 A S T << S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.606 84.1 98.0 -81.7 -15.3 6.8 -1.9 -0.5 108 129 A L S < S- 0 0 23 -3,-1.4 22,-0.2 -4,-0.5 21,-0.1 -0.454 88.1 -93.0 -83.8 151.0 5.8 1.8 -0.8 109 130 A S - 0 0 44 20,-2.8 -1,-0.1 19,-0.2 3,-0.1 -0.252 35.3-123.0 -53.7 141.5 7.1 4.1 -3.4 110 131 A R S S+ 0 0 109 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.818 92.4 20.6 -61.7 -34.0 10.2 6.0 -2.1 111 132 A S S S+ 0 0 108 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.990 73.9 125.7-142.6 129.4 8.6 9.4 -2.7 112 133 A Y - 0 0 32 -2,-0.4 2,-0.8 -3,-0.1 3,-0.0 -0.955 66.3 -79.9-166.8 163.3 5.0 10.6 -3.1 113 134 A F > - 0 0 165 -2,-0.3 3,-1.1 1,-0.2 -2,-0.0 -0.643 39.8-164.8 -72.2 110.1 2.6 13.1 -1.6 114 135 A K T 3 S+ 0 0 75 -2,-0.8 19,-0.4 1,-0.2 -1,-0.2 0.558 81.9 60.5 -76.4 -10.3 1.5 11.2 1.5 115 136 A D T 3 S+ 0 0 117 17,-0.1 -1,-0.2 18,-0.1 17,-0.1 0.436 77.5 124.4 -96.0 -11.3 -1.5 13.5 2.0 116 137 A R X - 0 0 106 -3,-1.1 3,-0.5 1,-0.1 2,-0.2 -0.012 63.8-108.5 -52.3 154.0 -3.2 12.7 -1.3 117 138 A A T 3 S+ 0 0 40 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.520 94.9 29.5 -78.0 157.8 -6.8 11.5 -1.5 118 139 A H T 3 S+ 0 0 34 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.742 84.6 106.0 69.6 27.2 -7.6 7.9 -2.5 119 140 A I < + 0 0 2 -3,-0.5 13,-2.0 1,-0.1 16,-0.1 -0.070 52.6 91.0-122.0 36.8 -4.4 6.3 -1.2 120 141 A Q S S+ 0 0 24 11,-0.2 2,-0.1 101,-0.1 -1,-0.1 0.659 71.8 72.4-100.8 -23.2 -6.0 4.7 1.9 121 142 A S S > S- 0 0 11 -3,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.440 85.9-111.2-103.6 165.5 -7.0 1.2 0.5 122 143 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.771 116.3 67.1 -67.3 -20.1 -5.3 -2.0 -0.5 123 144 A F H > S+ 0 0 19 -86,-0.6 4,-2.8 2,-0.2 5,-0.4 0.945 103.6 45.3 -58.0 -44.6 -6.3 -1.1 -4.1 124 145 A S H >>S+ 0 0 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2,-0.2 -1,-0.3 0.806 110.9 66.1 -71.3 -23.1 -3.4 5.2 8.7 135 156 A G H 3> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 98.0 53.1 -58.6 -40.6 -3.5 3.2 5.5 136 157 A V H S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.3 0.910 109.7 48.7 -59.5 -40.5 -1.8 -10.2 9.6 145 166 A Q H ><5S+ 0 0 24 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.931 108.1 54.4 -64.7 -41.9 -5.3 -11.5 9.1 146 167 A A H 3<5S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.4 50.7 -57.1 -35.2 -4.2 -13.0 5.7 147 168 A L T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.433 122.9-106.4 -82.8 -1.2 -1.4 -14.8 7.6 148 169 A G T < 5S+ 0 0 41 -3,-1.9 2,-1.4 -4,-0.3 -3,-0.2 0.653 71.0 145.3 83.6 18.8 -3.9 -16.2 10.2 149 170 A L > < + 0 0 1 -5,-2.9 3,-1.5 1,-0.2 -1,-0.2 -0.650 18.6 174.2 -94.5 80.6 -2.8 -13.8 13.0 150 171 A R T 3 + 0 0 126 -2,-1.4 -1,-0.2 1,-0.3 -5,-0.1 0.633 70.0 61.6 -67.3 -17.0 -6.2 -13.4 14.7 151 172 A D T 3 S+ 0 0 19 -61,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.610 78.3 96.4 -88.6 -12.4 -4.8 -11.4 17.6 152 173 A V < + 0 0 0 -3,-1.5 2,-0.3 13,-0.1 13,-0.2 -0.668 53.7 168.3 -83.9 122.8 -3.4 -8.4 15.6 153 174 A H E -B 164 0B 35 11,-2.4 11,-2.5 -2,-0.5 2,-0.3 -0.920 37.8-100.4-138.5 156.1 -6.0 -5.6 15.6 154 175 A L E -B 163 0B 0 -2,-0.3 55,-2.6 9,-0.2 2,-0.4 -0.592 29.9-159.7 -77.2 132.9 -6.1 -1.9 14.6 155 176 A A E -BC 162 208B 0 7,-2.9 7,-2.3 -2,-0.3 2,-0.4 -0.946 13.1-169.8-111.4 139.0 -5.8 0.6 17.4 156 177 A L E -BC 161 207B 8 51,-2.1 51,-3.1 -2,-0.4 5,-0.2 -0.989 16.4-179.6-135.1 130.6 -7.1 4.2 16.7 157 178 A S - 0 0 6 3,-2.5 44,-0.1 -2,-0.4 43,-0.1 -0.275 55.5 -87.6 -98.9-164.3 -6.9 7.5 18.5 158 179 A E S S+ 0 0 12 41,-0.4 42,-0.1 1,-0.1 43,-0.1 0.644 124.7 17.7 -82.7 -8.1 -8.5 10.6 17.1 159 180 A D S S+ 0 0 53 41,-0.4 2,-0.3 40,-0.2 20,-0.2 0.319 122.7 42.0-141.7 10.4 -5.3 11.4 15.0 160 181 A H - 0 0 13 40,-0.2 -3,-2.5 18,-0.1 2,-0.3 -0.977 55.2-148.7-157.8 164.3 -3.3 8.3 14.8 161 182 A A E +B 156 0B 0 -2,-0.3 14,-0.4 16,-0.2 15,-0.3 -0.989 23.7 146.4-139.6 146.9 -3.3 4.5 14.2 162 183 A W E -B 155 0B 0 -7,-2.3 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164 0B 6 -8,-0.2 2,-0.4 -2,-0.2 -8,-0.2 -0.946 9.0-175.6-117.4 145.0 0.9 -2.2 21.5 173 194 A A E -D 163 0B 2 -10,-2.6 -10,-2.3 -2,-0.4 2,-0.2 -0.964 24.4-131.3-138.0 131.7 3.1 -1.6 18.5 174 195 A E + 0 0 4 14,-2.6 13,-3.1 11,-0.4 -12,-0.1 -0.558 31.6 165.7 -66.0 134.6 3.7 1.5 16.3 175 196 A V + 0 0 1 -14,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.390 57.1 32.9-130.3 -7.8 3.5 0.4 12.6 176 197 A T S S- 0 0 2 -15,-0.3 9,-0.4 -40,-0.0 2,-0.1 -0.817 82.0 -91.1-137.4-178.8 3.2 3.7 10.8 177 198 A W - 0 0 41 -2,-0.2 2,-0.4 7,-0.1 -16,-0.2 -0.481 28.3-140.3 -89.5 164.5 4.3 7.4 10.9 178 199 A H - 0 0 18 -2,-0.1 4,-0.3 -18,-0.1 -18,-0.1 -0.991 55.2 -37.5-129.9 126.5 2.5 10.3 12.4 179 200 A G S S- 0 0 32 -2,-0.4 2,-0.4 -20,-0.2 -2,-0.0 -0.160 89.5 -50.3 67.0-151.8 2.3 13.7 10.9 180 201 A K S S+ 0 0 151 1,-0.1 3,-0.1 -3,-0.1 -1,-0.0 -0.953 114.3 5.2-127.9 135.7 5.1 15.4 9.0 181 202 A G S S+ 0 0 90 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.515 93.1 129.8 70.2 4.0 8.7 15.8 10.1 182 203 A N - 0 0 63 -4,-0.3 2,-0.4 1,-0.0 -1,-0.3 -0.535 64.1-113.1 -80.8 156.4 8.1 13.8 13.2 183 204 A E - 0 0 167 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.0 -0.793 33.6-125.1 -89.1 134.5 10.4 11.0 14.1 184 205 A D - 0 0 65 -2,-0.4 -7,-0.1 1,-0.1 -1,-0.0 -0.478 15.4-162.1 -83.3 149.5 8.8 7.5 13.9 185 206 A R > + 0 0 71 -9,-0.4 3,-2.4 -2,-0.2 -11,-0.4 -0.174 26.7 172.8-117.0 35.1 8.7 5.1 16.7 186 207 A R T 3 + 0 0 39 1,-0.3 -11,-0.2 -13,-0.1 3,-0.1 -0.130 67.1 19.1 -53.1 139.1 7.9 2.0 14.6 187 208 A G T 3 S+ 0 0 16 -13,-3.1 -1,-0.3 1,-0.3 -89,-0.1 0.151 103.5 108.6 86.2 -18.4 8.0 -1.2 16.6 188 209 A Q S < S- 0 0 105 -3,-2.4 -14,-2.6 1,-0.1 -1,-0.3 -0.377 71.6-105.7 -87.2 168.9 7.8 0.6 20.0 189 210 A T - 0 0 44 -16,-0.2 3,-0.2 -3,-0.1 4,-0.2 -0.320 19.1-126.6 -79.5 171.1 4.8 0.6 22.4 190 211 A V S > S+ 0 0 3 1,-0.1 4,-2.3 2,-0.1 3,-0.2 0.244 79.0 109.4 -98.4 12.1 2.6 3.6 22.9 191 212 A N H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.825 72.8 53.2 -61.3 -38.3 3.2 3.7 26.7 192 213 A A H > S+ 0 0 76 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 111.0 48.1 -61.3 -38.7 5.3 6.8 26.8 193 214 A G H 4>S+ 0 0 6 -3,-0.2 5,-1.3 2,-0.2 4,-0.4 0.896 112.9 47.7 -69.4 -39.1 2.6 8.7 24.9 194 215 A V H ><5S+ 0 0 36 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.954 111.0 52.0 -64.1 -44.7 -0.2 7.4 27.2 195 216 A A H 3<5S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.820 104.6 55.9 -64.8 -31.3 1.9 8.3 30.3 196 217 A E T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.532 106.1-128.6 -82.4 0.0 2.4 11.8 29.1 197 218 A R T < 5 + 0 0 108 -3,-1.6 134,-2.7 -4,-0.4 2,-0.2 0.838 47.4 164.6 60.0 37.0 -1.3 12.4 28.9 198 219 A S B >>X -e 331 0C 2 -5,-1.3 5,-0.9 132,-0.2 3,-0.7 -0.504 48.8-123.3 -75.3 155.3 -1.2 13.7 25.3 199 220 A W G >45S+ 0 0 0 132,-0.5 3,-1.2 1,-0.2 -41,-0.4 0.884 106.2 71.2 -62.7 -31.5 -4.3 14.0 23.2 200 221 A L G 345S+ 0 0 2 1,-0.3 -41,-0.4 -43,-0.1 -1,-0.2 0.815 110.3 30.1 -57.5 -33.7 -2.6 11.8 20.5 201 222 A Y G X45S- 0 0 2 -3,-0.7 3,-2.5 -8,-0.3 5,-0.3 0.338 99.9-133.2-112.8 5.7 -2.9 8.7 22.7 202 223 A L G X<5 - 0 0 0 -3,-1.2 3,-2.5 -4,-0.5 -3,-0.2 0.705 58.0 -73.8 57.1 29.2 -6.1 9.7 24.6 203 224 A K G 3 - 0 0 75 -57,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.521 49.2 -86.9 -94.3-178.1 -12.3 -6.0 16.7 211 232 A R H > S+ 0 0 13 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.844 129.3 53.8 -61.7 -33.7 -12.6 -7.1 13.1 212 233 A K H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 107.8 49.8 -71.5 -38.0 -16.1 -5.5 12.7 213 234 A M H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.822 106.1 57.4 -64.5 -32.4 -14.7 -2.1 13.8 214 235 A E H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.890 105.5 49.8 -67.0 -35.7 -11.9 -2.6 11.3 215 236 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.931 108.8 52.6 -62.7 -43.5 -14.6 -2.9 8.6 216 237 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.917 106.6 54.5 -58.9 -38.0 -16.2 0.3 10.0 217 238 A F H X S+ 0 0 25 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.932 107.5 47.9 -59.9 -48.8 -12.8 2.0 9.7 218 239 A M H < S+ 0 0 10 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.851 111.5 51.6 -62.5 -31.3 -12.4 1.2 6.0 219 240 A V H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.920 109.9 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