==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUL-07 2QKC . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ZHENG,J.F.DOMSIC,D.CABELLI,R.MCKENNA,D.N.SILVERMAN . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 0 2 2 0 4 2 4 0 0 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 2 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 . 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 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 1 A K 0 0 181 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -43.6 44.6 16.6 -6.4 2 2 A H - 0 0 30 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.679 360.0-161.4 -92.2 151.7 44.1 15.2 -2.9 3 3 A S - 0 0 87 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.963 26.2-102.5-139.3 156.2 41.1 13.0 -2.3 4 4 A L - 0 0 57 -2,-0.3 2,-0.1 28,-0.1 28,-0.1 -0.595 43.2-133.6 -72.8 116.2 38.9 11.6 0.5 5 5 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.426 20.5-111.8 -71.7 147.9 40.0 8.0 1.1 6 6 A D - 0 0 151 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.478 34.9-106.7 -74.3 151.6 37.3 5.3 1.4 7 7 A L - 0 0 26 -2,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.591 18.9-134.3 -78.1 139.7 36.9 3.8 4.8 8 8 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.350 87.0 29.8 -77.3 9.1 38.2 0.2 4.9 9 9 A Y S S- 0 0 31 73,-0.0 -2,-0.1 74,-0.0 5,-0.0 -0.964 97.0 -77.4-157.5 168.1 35.0 -0.8 6.7 10 10 A D > - 0 0 118 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.322 44.8-112.0 -68.9 152.4 31.3 0.0 7.1 11 11 A Y T 3 S+ 0 0 61 1,-0.3 3,-0.5 2,-0.1 12,-0.2 0.813 117.9 45.2 -56.9 -33.5 30.3 3.1 9.2 12 12 A G T > S+ 0 0 22 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.381 82.6 102.2 -93.4 6.8 28.8 0.9 11.9 13 13 A A T < S+ 0 0 32 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.668 77.5 54.4 -63.5 -18.8 31.6 -1.6 12.0 14 14 A L T >> S+ 0 0 2 -3,-0.5 4,-1.4 4,-0.3 3,-0.9 0.359 89.0 164.6 -99.4 7.1 33.1 -0.2 15.2 15 15 A E T <4 + 0 0 95 -3,-1.6 4,-0.1 1,-0.3 -3,-0.0 -0.352 54.3 17.5 -65.1 147.9 29.9 -0.5 17.3 16 16 A P T 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.986 124.6 54.2 -91.5 1.9 29.4 -0.3 20.2 17 17 A H T <4 S+ 0 0 53 -3,-0.9 2,-0.4 1,-0.3 -2,-0.2 0.879 129.2 9.6 -60.8 -42.9 32.8 1.3 21.0 18 18 A I S < S- 0 0 6 -4,-1.4 -1,-0.3 161,-0.1 -4,-0.3 -0.952 91.8-128.8-138.1 115.1 32.3 4.2 18.5 19 19 A N > - 0 0 30 -2,-0.4 4,-1.8 -3,-0.3 3,-0.4 -0.183 18.4-111.3 -70.1 160.8 28.8 4.5 17.0 20 20 A A H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.790 111.9 60.8 -57.4 -35.0 27.9 4.7 13.3 21 21 A Q H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.929 106.2 46.1 -62.7 -44.9 26.6 8.3 13.5 22 22 A I H > S+ 0 0 4 -3,-0.4 4,-3.4 2,-0.2 5,-0.3 0.943 113.4 49.1 -61.9 -48.5 30.0 9.6 14.7 23 23 A M H X S+ 0 0 2 -4,-1.8 4,-2.2 -12,-0.2 5,-0.3 0.905 112.4 48.3 -59.4 -43.1 31.9 7.6 12.0 24 24 A Q H X S+ 0 0 100 -4,-2.6 4,-2.0 2,-0.2 5,-0.4 0.933 117.6 39.9 -64.2 -47.2 29.6 8.8 9.3 25 25 A L H X>S+ 0 0 58 -4,-2.5 5,-2.1 -5,-0.2 4,-1.8 0.929 115.1 52.9 -66.1 -45.5 29.8 12.5 10.3 26 26 A H H <>S+ 0 0 3 -4,-3.4 5,-2.0 -5,-0.3 -2,-0.2 0.877 121.1 30.7 -58.7 -41.9 33.6 12.3 11.1 27 27 A H H <>S+ 0 0 10 -4,-2.2 5,-1.2 -5,-0.3 -2,-0.2 0.959 126.5 36.1 -82.7 -60.7 34.4 10.8 7.7 28 28 A S H <5S+ 0 0 36 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.687 132.5 23.7 -72.4 -19.4 31.8 12.2 5.2 29 29 A K T X5S+ 0 0 127 -4,-1.8 4,-1.9 -5,-0.4 -3,-0.2 0.805 127.7 33.3-108.7 -63.8 31.6 15.7 6.8 30 30 A H H >S+ 0 0 5 -4,-2.1 5,-2.7 1,-0.2 -2,-0.2 0.869 113.1 51.0 -68.9 -40.4 51.4 32.9 -4.7 49 49 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.872 103.1 59.3 -66.9 -38.9 54.6 30.9 -5.1 50 50 A A H 3<5S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 112.8 37.2 -60.3 -40.0 54.6 31.4 -8.9 51 51 A K T 3<5S- 0 0 137 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.174 113.8-113.6 -99.8 19.6 54.7 35.2 -8.7 52 52 A G T < 5 + 0 0 15 -3,-1.4 2,-1.3 1,-0.2 -3,-0.2 0.778 54.8 164.3 57.0 31.3 57.0 35.3 -5.7 53 53 A D >< + 0 0 55 -5,-2.7 4,-1.7 1,-0.2 -1,-0.2 -0.665 9.4 175.0 -82.9 94.0 54.3 36.7 -3.4 54 54 A V H > S+ 0 0 8 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.878 75.8 57.2 -67.2 -39.7 55.8 36.0 0.1 55 55 A T H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 108.5 45.9 -57.7 -47.4 53.1 37.9 1.9 56 56 A A H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 110.0 54.8 -64.4 -39.8 50.4 35.7 0.4 57 57 A Q H < S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.920 111.1 44.8 -59.6 -43.7 52.4 32.5 1.1 58 58 A I H >< S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.883 109.1 55.3 -69.9 -36.6 52.7 33.4 4.8 59 59 A A H 3< S+ 0 0 57 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.783 106.5 53.3 -66.2 -26.4 49.0 34.4 5.1 60 60 A L T 3X S+ 0 0 29 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.565 82.6 91.4 -85.5 -9.6 48.0 31.0 3.8 61 61 A Q H <> S+ 0 0 14 -3,-1.0 4,-2.5 -4,-0.5 5,-0.2 0.880 83.1 51.2 -55.5 -45.2 50.0 29.0 6.4 62 62 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.923 113.1 45.7 -60.8 -42.1 47.3 28.6 9.0 63 63 A A H > S+ 0 0 37 -4,-0.3 4,-2.2 1,-0.2 5,-0.4 0.872 113.5 49.2 -69.1 -36.0 44.8 27.3 6.5 64 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.5 0.896 113.5 46.0 -71.1 -38.1 47.3 24.9 4.9 65 65 A K H X S+ 0 0 58 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.941 115.6 45.7 -68.8 -46.6 48.4 23.5 8.3 66 66 A L H X S+ 0 0 68 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.938 124.5 31.4 -61.3 -51.0 44.8 23.1 9.6 67 67 A N H X S+ 0 0 11 -4,-2.2 4,-2.0 -5,-0.2 -29,-0.2 0.875 122.6 47.2 -78.2 -39.5 43.4 21.5 6.4 68 68 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 -3,-0.2 0.926 117.4 44.3 -66.7 -44.3 46.5 19.7 5.3 69 69 A G H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.5 5,-0.3 0.894 109.8 56.5 -65.7 -39.9 47.0 18.4 8.8 70 70 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.906 109.6 45.5 -57.6 -42.8 43.3 17.5 9.0 71 71 A H H X S+ 0 0 24 -4,-2.0 4,-2.0 -37,-0.2 -2,-0.2 0.943 115.9 45.7 -65.8 -49.6 43.6 15.3 5.9 72 72 A I H X S+ 0 0 33 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.939 114.0 48.0 -59.3 -51.2 46.8 13.7 7.1 73 73 A N H X S+ 0 0 1 -4,-3.2 4,-2.3 70,-0.2 -1,-0.2 0.922 115.0 42.7 -60.0 -48.6 45.6 13.0 10.7 74 74 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.850 109.4 58.3 -69.7 -31.5 42.3 11.5 9.8 75 75 A S H X S+ 0 0 31 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.909 111.8 41.3 -63.0 -41.9 43.7 9.4 6.9 76 76 A I H X S+ 0 0 16 -4,-1.8 4,-1.2 -5,-0.2 3,-0.4 0.923 110.6 59.3 -69.1 -44.7 46.1 7.7 9.4 77 77 A F H >X S+ 0 0 3 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.886 100.5 53.8 -51.6 -48.0 43.3 7.5 12.0 78 78 A W H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.898 110.6 46.9 -57.7 -41.1 41.0 5.4 9.8 79 79 A T H 3< S+ 0 0 44 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.696 103.9 63.3 -74.5 -18.4 43.7 2.8 9.2 80 80 A N H << S+ 0 0 0 -4,-1.2 105,-3.5 -3,-0.7 2,-0.3 0.559 99.3 67.3 -79.9 -10.2 44.5 2.8 13.0 81 81 A L B << +A 184 0A 2 -3,-1.0 103,-0.2 -4,-0.6 3,-0.0 -0.844 57.6 168.1-114.7 151.3 41.0 1.4 13.7 82 82 A S > - 0 0 19 101,-2.6 3,-2.3 -2,-0.3 104,-0.1 -0.956 42.7-131.6-161.0 138.8 39.5 -1.9 12.8 83 83 A P T 3 S+ 0 0 61 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.718 117.5 48.1 -62.9 -15.7 36.3 -3.9 13.7 84 84 A N T 3 S+ 0 0 152 99,-0.1 99,-0.1 -3,-0.0 100,-0.1 0.196 95.9 99.2-106.5 12.9 38.8 -6.8 14.2 85 85 A G < + 0 0 24 -3,-2.3 100,-0.2 98,-0.2 2,-0.1 0.149 39.2 89.2 -82.0-157.2 41.2 -4.8 16.3 86 86 A G + 0 0 19 98,-2.3 100,-0.3 1,-0.2 96,-0.2 -0.368 52.7 72.2 96.1-179.1 41.6 -4.7 20.1 87 87 A G S S- 0 0 56 -2,-0.1 -1,-0.2 94,-0.1 97,-0.1 -0.382 90.8 -48.2 72.9-149.2 43.8 -6.8 22.4 88 88 A E - 0 0 114 -2,-0.1 2,-0.1 -3,-0.1 6,-0.1 -0.867 51.0-111.2-124.6 156.9 47.5 -6.3 22.5 89 89 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.391 31.1-154.1 -81.5 166.4 50.2 -6.1 19.8 90 90 A K > + 0 0 111 -2,-0.1 3,-0.7 96,-0.1 4,-0.5 -0.778 46.6 26.5-132.2 175.2 52.8 -8.9 19.3 91 91 A G T 3> S- 0 0 51 -2,-0.2 4,-1.5 1,-0.2 3,-0.2 -0.333 116.7 -15.7 74.7-152.1 56.3 -9.2 17.9 92 92 A E H 3> S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.812 132.4 59.6 -59.5 -35.1 58.9 -6.4 17.8 93 93 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.938 104.8 49.1 -61.6 -46.3 56.3 -3.7 18.5 94 94 A L H > S+ 0 0 36 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 0.872 113.6 47.7 -59.8 -37.5 55.3 -5.3 21.8 95 95 A E H X S+ 0 0 114 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.916 109.2 52.2 -69.3 -44.7 59.0 -5.5 22.7 96 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 39,-0.3 0.893 111.4 49.4 -58.3 -38.9 59.7 -1.9 21.7 97 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.4 0.898 111.0 46.5 -68.7 -42.8 56.8 -0.9 23.9 98 98 A K H X S+ 0 0 92 -4,-2.0 4,-2.1 3,-0.2 -2,-0.2 0.920 114.6 51.3 -65.5 -42.2 58.0 -2.8 26.9 99 99 A R H < S+ 0 0 156 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.5 31.5 -57.2 -45.4 61.4 -1.4 26.4 100 100 A D H < S+ 0 0 42 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.716 135.3 24.4 -94.3 -19.6 60.4 2.1 26.2 101 101 A F H < S- 0 0 39 -4,-2.4 2,-0.6 -5,-0.2 -3,-0.2 0.454 97.4-119.3-124.7 -4.0 57.4 2.2 28.5 102 102 A G S < S+ 0 0 50 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 -0.283 84.1 3.4 95.8 -50.1 58.0 -0.7 30.8 103 103 A S S > S- 0 0 38 -2,-0.6 4,-1.6 -6,-0.3 5,-0.1 -0.967 76.2-102.2-159.5 168.1 54.9 -2.6 29.9 104 104 A F H > S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.900 120.0 51.4 -64.6 -40.8 51.9 -2.5 27.6 105 105 A D H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 107.3 51.2 -67.5 -33.6 49.6 -1.2 30.4 106 106 A K H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 109.9 52.4 -70.6 -32.4 52.0 1.6 31.4 107 107 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.939 108.4 49.0 -65.4 -48.2 52.0 2.5 27.7 108 108 A K H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 53.0 -56.5 -47.3 48.2 2.6 27.6 109 109 A E H X S+ 0 0 131 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 110.8 44.6 -50.2 -58.7 48.3 4.7 30.7 110 110 A K H X S+ 0 0 121 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 114.0 47.2 -48.7 -49.6 50.7 7.3 29.2 111 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.861 112.4 51.3 -67.9 -34.8 49.0 7.6 25.9 112 112 A T H X S+ 0 0 38 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.923 110.1 48.7 -66.8 -44.2 45.6 8.0 27.7 113 113 A A H X S+ 0 0 64 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.898 112.1 49.3 -62.7 -40.8 46.9 10.7 30.0 114 114 A A H < S+ 0 0 29 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.905 113.4 46.4 -65.2 -41.3 48.4 12.6 27.1 115 115 A S H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.925 114.8 45.3 -67.7 -45.3 45.2 12.4 25.1 116 116 A V H 3< S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 107.3 60.9 -68.6 -29.6 43.0 13.4 28.0 117 117 A G T 3< S+ 0 0 56 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.529 72.2 120.2 -77.0 -6.7 45.3 16.3 28.9 118 118 A V < - 0 0 16 -3,-1.0 2,-0.6 -4,-0.4 4,-0.1 -0.431 62.0-138.1 -61.0 123.4 45.0 18.0 25.5 119 119 A Q - 0 0 187 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.763 69.5 -23.7 -85.3 121.5 43.6 21.5 26.2 120 120 A G S S- 0 0 56 -2,-0.6 2,-0.3 21,-0.1 -2,-0.0 -0.587 122.8 -4.4 80.8-141.8 40.9 22.3 23.6 121 121 A S S S+ 0 0 35 -2,-0.2 21,-2.6 40,-0.1 2,-0.3 -0.640 86.0 100.2 -91.1 145.6 41.1 20.4 20.3 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.4 -2,-0.3 2,-0.3 -0.997 53.7 -89.1 171.4-168.5 44.0 18.0 19.4 123 123 A W E -BC 140 159B 0 17,-2.4 17,-2.3 -2,-0.3 2,-0.4 -0.977 15.8-142.4-137.4 148.9 45.5 14.6 19.1 124 124 A G E -BC 139 158B 0 34,-2.3 34,-2.6 -2,-0.3 2,-0.4 -0.922 31.4-165.8-107.4 135.5 47.4 12.1 21.2 125 125 A W E -BC 138 157B 2 13,-3.3 13,-2.1 -2,-0.4 2,-0.6 -0.957 30.4-156.5-132.1 148.4 50.1 10.2 19.4 126 126 A L E +BC 137 156B 0 30,-2.4 29,-2.5 -2,-0.4 30,-1.7 -0.983 40.8 169.9-110.0 116.3 52.4 7.2 19.7 127 127 A G E -BC 136 154B 0 9,-3.5 9,-3.1 -2,-0.6 2,-0.5 -0.824 34.4-117.1-128.3 170.6 55.3 8.1 17.3 128 128 A F E -BC 135 153B 20 25,-2.6 25,-2.5 -2,-0.3 2,-0.9 -0.934 17.4-145.3-112.2 126.7 58.8 6.9 16.4 129 129 A N E >> -B 134 0B 32 5,-2.8 4,-2.9 -2,-0.5 5,-0.8 -0.795 9.0-167.5 -92.0 104.8 61.8 9.0 16.9 130 130 A K T 45S+ 0 0 131 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.831 84.7 54.3 -58.9 -36.9 64.3 8.3 14.1 131 131 A E T 45S+ 0 0 181 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.959 121.0 26.8 -64.5 -53.7 67.1 10.1 15.8 132 132 A R T 45S- 0 0 177 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.755 98.1-130.9 -82.3 -26.7 67.0 8.2 19.1 133 133 A G T <5 + 0 0 30 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.771 67.7 114.7 80.1 25.7 65.5 5.0 17.7 134 134 A H E S-B 122 0B 72 0, 0.0 3,-2.1 0, 0.0 -19,-0.3 -0.470 70.5 -29.8 -80.4 151.5 47.0 20.9 19.1 142 142 A N T 3 S- 0 0 76 -21,-2.6 -2,-0.1 1,-0.3 19,-0.1 -0.163 123.8 -29.6 45.9-121.0 44.2 21.3 16.6 143 143 A Q T 3 S+ 0 0 0 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.240 88.2 142.7-109.9 12.2 45.2 19.6 13.3 144 144 A D < - 0 0 26 -3,-2.1 2,-0.1 1,-0.1 -21,-0.1 -0.359 52.7-126.8 -53.7 119.4 48.9 20.2 13.6 145 145 A P > - 0 0 1 0, 0.0 4,-1.5 0, 0.0 5,-0.3 -0.431 7.0-127.1 -74.6 146.8 50.3 16.9 12.1 146 146 A L H >>S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.7 0.954 102.1 37.9 -57.6 -60.5 52.9 14.9 14.0 147 147 A Q H >5S+ 0 0 79 1,-0.2 4,-1.9 4,-0.2 -1,-0.2 0.944 115.2 52.3 -61.1 -51.0 55.7 14.5 11.5 148 148 A G H 45S+ 0 0 7 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.771 121.9 30.3 -58.3 -28.8 55.5 17.9 10.0 149 149 A T H <5S+ 0 0 60 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.683 136.3 19.8-105.8 -21.0 55.7 19.7 13.3 150 150 A T H <5S- 0 0 71 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.576 89.8-124.6-122.5 -16.8 57.8 17.4 15.5 151 151 A G << + 0 0 48 -4,-1.9 -21,-0.3 -5,-0.7 -4,-0.2 0.289 66.4 132.9 88.2 -12.5 59.7 15.1 13.1 152 152 A L - 0 0 8 -6,-0.6 -1,-0.3 -23,-0.1 -2,-0.2 -0.474 60.8-121.3 -73.7 144.3 58.3 12.0 14.8 153 153 A I E -C 128 0B 34 -25,-2.5 -25,-2.6 -2,-0.1 2,-0.2 -0.763 31.0-122.9 -86.4 123.8 56.9 9.3 12.5 154 154 A P E +C 127 0B 14 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.472 40.7 161.1 -71.6 133.2 53.2 8.6 13.4 155 155 A L E S+ 0 0 0 -29,-2.5 2,-0.3 1,-0.3 -28,-0.2 0.691 70.6 7.7-115.7 -42.5 52.3 5.1 14.4 156 156 A L E -C 126 0B 0 -30,-1.7 -30,-2.4 36,-0.1 2,-0.4 -0.969 65.7-168.4-147.6 127.1 49.0 5.5 16.3 157 157 A G E -C 125 0B 1 -2,-0.3 2,-0.5 -32,-0.2 -32,-0.2 -0.928 8.7-160.0-122.1 145.2 46.8 8.5 16.7 158 158 A I E -C 124 0B 0 -34,-2.6 -34,-2.3 -2,-0.4 2,-0.5 -0.972 16.7-142.1-124.8 115.1 43.8 9.3 18.9 159 159 A D E +C 123 0B 0 -2,-0.5 -36,-0.2 -36,-0.2 -44,-0.0 -0.646 22.6 174.1 -78.0 118.1 41.6 12.1 17.9 160 160 A V + 0 0 0 -38,-2.4 2,-0.2 -2,-0.5 -37,-0.1 0.088 32.4 127.5-114.1 23.1 40.3 14.1 20.9 161 161 A W S >> S- 0 0 42 -39,-0.3 3,-1.9 -40,-0.2 4,-0.5 -0.542 74.9-114.0 -68.1 147.7 38.5 16.9 19.2 162 162 A E H >> S+ 0 0 111 1,-0.3 4,-3.1 2,-0.2 3,-1.2 0.818 114.3 67.8 -59.1 -28.8 35.1 16.9 20.8 163 163 A H H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.701 90.0 69.0 -65.7 -15.5 33.4 15.9 17.5 164 164 A A H <4 S- 0 0 3 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.834 125.2 -4.0 -66.6 -31.4 35.2 12.5 17.9 165 165 A Y H XX>S+ 0 0 4 -3,-1.2 4,-3.2 -4,-0.5 3,-0.9 0.589 97.9 101.8-145.4 -9.1 33.2 11.5 20.8 166 166 A Y H 3X5S+ 0 0 107 -4,-3.1 4,-1.7 1,-0.2 -3,-0.1 0.847 80.7 57.2 -54.4 -44.5 30.7 14.0 22.1 167 167 A L H 345S+ 0 0 86 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.851 123.4 25.4 -57.2 -33.2 27.6 12.5 20.6 168 168 A Q H <45S+ 0 0 47 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.855 137.4 22.5-100.2 -43.0 28.2 9.2 22.4 169 169 A Y H ><5S- 0 0 38 -4,-3.2 3,-2.1 1,-0.3 -3,-0.2 0.383 83.8-162.0-108.4 3.6 30.3 10.0 25.5 170 170 A K T 3<< - 0 0 112 -4,-1.7 -1,-0.3 -5,-0.5 -2,-0.1 -0.227 69.9 -15.2 50.6-133.9 29.4 13.6 25.9 171 171 A N T 3 S+ 0 0 118 1,-0.1 2,-1.9 -5,-0.1 -1,-0.3 0.532 110.1 101.4 -76.4 -9.0 32.0 15.4 28.2 172 172 A V X> + 0 0 47 -3,-2.1 4,-1.3 1,-0.2 3,-1.1 -0.490 40.4 169.3 -83.6 77.5 33.5 12.2 29.6 173 173 A R H 3> S+ 0 0 28 -2,-1.9 4,-2.2 1,-0.3 5,-0.2 0.848 73.0 62.2 -54.2 -38.7 36.7 12.0 27.5 174 174 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.847 100.7 52.4 -59.8 -33.5 38.0 9.1 29.7 175 175 A D H <> S+ 0 0 83 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.906 108.0 52.4 -67.7 -40.2 35.1 6.8 28.7 176 176 A Y H X S+ 0 0 3 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.934 111.2 45.8 -59.6 -48.0 35.9 7.5 25.0 177 177 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.837 109.0 55.1 -67.1 -32.5 39.5 6.6 25.5 178 178 A K H < S+ 0 0 164 -4,-1.9 3,-0.3 -5,-0.2 4,-0.2 0.894 112.3 44.7 -67.0 -36.8 38.7 3.4 27.5 179 179 A A H >< S+ 0 0 12 -4,-1.9 3,-1.6 1,-0.2 4,-0.2 0.849 101.3 65.0 -76.1 -35.3 36.5 2.3 24.6 180 180 A I H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 4,-0.3 0.748 86.6 71.7 -62.7 -24.5 38.8 3.0 21.7 181 181 A W G >< S+ 0 0 18 -4,-0.8 3,-0.6 -3,-0.3 -1,-0.3 0.768 88.6 64.9 -62.4 -23.6 41.4 0.5 22.9 182 182 A N G < S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.609 108.2 38.0 -75.5 -12.5 39.0 -2.3 21.8 183 183 A V G < S+ 0 0 3 -3,-1.7 -101,-2.6 -4,-0.2 2,-0.2 0.252 77.4 132.1-123.8 14.0 39.2 -1.2 18.1 184 184 A I B < -A 81 0A 0 -3,-0.6 -98,-2.3 -4,-0.3 2,-1.4 -0.498 55.4-134.9 -68.2 130.1 42.9 -0.3 17.7 185 185 A N >> + 0 0 30 -105,-3.5 4,-1.9 -2,-0.2 3,-1.0 -0.682 27.3 177.7 -88.1 87.6 44.2 -2.0 14.5 186 186 A W H 3> S+ 0 0 8 -2,-1.4 4,-2.6 -100,-0.3 -1,-0.2 0.774 75.8 63.4 -62.8 -27.0 47.6 -3.3 15.9 187 187 A E H 3> S+ 0 0 132 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.815 107.2 43.9 -65.3 -31.2 48.4 -5.0 12.6 188 188 A N H <> S+ 0 0 19 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.883 112.6 50.1 -80.4 -42.2 48.5 -1.5 11.0 189 189 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.910 110.0 54.1 -61.8 -39.9 50.4 0.1 13.8 190 190 A T H X S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 108.3 46.2 -61.3 -46.7 52.9 -2.8 13.5 191 191 A E H X S+ 0 0 115 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.805 110.3 53.0 -70.7 -24.9 53.6 -2.3 9.8 192 192 A R H X S+ 0 0 68 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.886 111.8 48.5 -71.5 -36.5 53.9 1.5 10.2 193 193 A Y H >< S+ 0 0 31 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.906 110.2 49.1 -66.8 -44.0 56.5 0.6 12.9 194 194 A M H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 103.7 62.5 -66.9 -28.4 58.3 -1.9 10.7 195 195 A A H 3< 0 0 87 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.749 360.0 360.0 -69.5 -24.6 58.4 0.7 7.9 196 196 A C << 0 0 39 -3,-0.8 -3,-0.1 -4,-0.7 -2,-0.1 0.590 360.0 360.0-124.0 360.0 60.5 3.1 10.0 197 !* 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 0.0 198 1 C K 0 0 176 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -43.7 64.6 34.8 -7.5 199 2 C H - 0 0 30 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.680 360.0-161.4 -92.2 151.7 64.5 37.3 -4.5 200 3 C S - 0 0 86 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.963 26.1-102.5-139.3 156.3 67.4 39.7 -4.1 201 4 C L - 0 0 60 -2,-0.3 2,-0.1 28,-0.1 28,-0.1 -0.595 43.2-133.6 -72.9 116.2 69.1 41.9 -1.6 202 5 C P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.425 20.5-111.8 -71.6 147.8 68.0 45.5 -2.4 203 6 C D - 0 0 153 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.478 34.9-106.7 -74.3 151.6 70.8 48.2 -2.4 204 7 C L - 0 0 27 -2,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.591 18.9-134.3 -78.1 139.7 70.6 50.7 0.3 205 8 C P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.349 87.0 29.8 -77.3 9.0 69.4 54.1 -0.9 206 9 C Y S S- 0 0 30 73,-0.0 -2,-0.1 74,-0.0 5,-0.0 -0.964 97.0 -77.4-157.5 168.1 72.2 55.7 1.0 207 10 C D > - 0 0 119 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.322 44.8-112.0 -69.0 152.4 75.8 55.2 2.3 208 11 C Y T 3 S+ 0 0 62 1,-0.3 3,-0.5 2,-0.1 12,-0.2 0.813 117.9 45.2 -56.9 -33.6 76.3 53.0 5.4 209 12 C G T > S+ 0 0 22 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.380 82.6 102.2 -93.4 6.8 77.4 55.9 7.5 210 13 C A T < S+ 0 0 32 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.668 77.5 54.4 -63.6 -18.8 74.7 58.3 6.3 211 14 C L T >> S+ 0 0 1 -3,-0.5 4,-1.4 4,-0.3 3,-0.9 0.359 89.0 164.6 -99.4 7.1 72.6 57.9 9.5 212 15 C E T <4 + 0 0 95 -3,-1.6 4,-0.1 1,-0.3 -3,-0.0 -0.352 54.3 17.5 -65.0 147.9 75.4 58.9 11.9 213 16 C P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.986 124.6 54.3 -91.4 1.8 75.4 59.6 14.8 214 17 C H T <4 S+ 0 0 52 -3,-0.9 2,-0.4 1,-0.3 -2,-0.2 0.880 129.2 9.5 -60.8 -42.9 71.9 58.2 15.4 215 18 C I S < S- 0 0 5 -4,-1.4 -1,-0.3 161,-0.1 -4,-0.3 -0.952 91.8-128.8-138.2 115.2 72.7 54.7 14.1 216 19 C N > - 0 0 31 -2,-0.4 4,-1.8 -3,-0.3 3,-0.4 -0.183 18.4-111.3 -70.1 160.8 76.4 54.1 13.4 217 20 C A H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.789 111.9 60.8 -57.4 -35.0 77.9 52.8 10.2 218 21 C Q H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 106.2 46.1 -62.7 -44.9 79.0 49.4 11.7 219 22 C I H > S+ 0 0 4 -3,-0.4 4,-3.4 2,-0.2 5,-0.3 0.943 113.4 49.1 -62.0 -48.4 75.4 48.5 12.6 220 23 C M H X S+ 0 0 1 -4,-1.8 4,-2.2 -12,-0.2 5,-0.3 0.904 112.4 48.3 -59.3 -43.1 74.1 49.5 9.2 221 24 C Q H X S+ 0 0 100 -4,-2.6 4,-2.0 2,-0.2 5,-0.4 0.934 117.6 39.9 -64.2 -47.1 76.8 47.5 7.4 222 25 C L H X>S+ 0 0 61 -4,-2.5 5,-2.1 -5,-0.2 4,-1.8 0.929 115.1 52.9 -66.1 -45.6 76.3 44.4 9.5 223 26 C H H <>S+ 0 0 4 -4,-3.4 5,-2.0 -5,-0.2 -2,-0.2 0.877 121.1 30.7 -58.6 -41.9 72.5 44.7 9.5 224 27 C H H <>S+ 0 0 9 -4,-2.2 5,-1.2 -5,-0.3 -2,-0.2 0.959 126.5 36.2 -82.7 -60.7 72.3 45.0 5.7 225 28 C S H <5S+ 0 0 37 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.687 132.5 23.7 -72.3 -19.4 75.2 43.0 4.3 226 29 C K T X5S+ 0 0 127 -4,-1.8 4,-1.9 -5,-0.4 -3,-0.2 0.805 127.7 33.3-108.8 -63.8 75.1 40.2 6.9 227 30 C H H >S+ 0 0 4 -4,-2.1 5,-2.7 1,-0.2 -2,-0.2 0.869 113.1 51.0 -68.9 -40.4 57.1 19.7 -1.9 246 49 C L H ><5S+ 0 0 7 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.872 103.1 59.3 -66.9 -38.9 54.1 21.3 -3.5 247 50 C A H 3<5S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 112.8 37.2 -60.2 -39.9 54.7 19.7 -6.9 248 51 C K T 3<5S- 0 0 137 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.174 113.8-113.6 -99.8 19.6 54.5 16.2 -5.5 249 52 C G T < 5 + 0 0 15 -3,-1.4 2,-1.3 1,-0.2 -3,-0.2 0.778 54.8 164.3 57.0 31.3 51.7 17.0 -3.0 250 53 C D >< + 0 0 55 -5,-2.7 4,-1.7 1,-0.2 -1,-0.2 -0.666 9.4 174.9 -82.8 93.9 53.9 16.4 0.0 251 54 C V H > S+ 0 0 8 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.877 75.9 57.2 -67.1 -39.7 51.8 18.1 2.7 252 55 C T H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 108.5 45.9 -57.8 -47.4 54.1 17.0 5.5 253 56 C A H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 110.0 54.8 -64.4 -39.8 57.1 18.7 3.9 254 57 C Q H < S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.920 111.1 44.8 -59.6 -43.8 55.1 21.9 3.2 255 58 C I H >< S+ 0 0 5 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.883 109.1 55.3 -69.9 -36.6 54.2 22.1 6.9 256 59 C A H 3< S+ 0 0 56 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.783 106.5 53.3 -66.1 -26.5 57.7 21.4 8.1 257 60 C L T 3X S+ 0 0 30 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.565 82.6 91.4 -85.6 -9.5 59.0 24.3 6.0 258 61 C Q H <> S+ 0 0 14 -3,-1.0 4,-2.5 -4,-0.5 5,-0.2 0.880 83.1 51.2 -55.5 -45.3 56.6 26.9 7.4 259 62 C P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.923 113.1 45.7 -60.8 -42.1 58.9 28.2 10.2 260 63 C A H > S+ 0 0 35 -4,-0.3 4,-2.2 1,-0.2 5,-0.4 0.872 113.5 49.2 -69.1 -36.0 61.8 28.7 7.9 261 64 C L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.5 0.896 113.6 46.0 -71.1 -38.1 59.7 30.4 5.3 262 65 C K H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.941 115.6 45.7 -68.8 -46.6 58.1 32.8 7.8 263 66 C L H X S+ 0 0 67 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.938 124.5 31.3 -61.3 -51.1 61.4 33.7 9.5 264 67 C N H X S+ 0 0 11 -4,-2.2 4,-2.0 -5,-0.2 -29,-0.2 0.875 122.6 47.2 -78.2 -39.4 63.4 34.2 6.3 265 68 C G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 -3,-0.2 0.927 117.4 44.3 -66.8 -44.3 60.5 35.5 4.1 266 69 C G H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.5 5,-0.3 0.893 109.8 56.5 -65.7 -39.9 59.5 37.8 6.9 267 70 C G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.907 109.6 45.5 -57.6 -42.7 63.1 38.8 7.5 268 71 C H H X S+ 0 0 26 -4,-2.0 4,-2.0 -37,-0.2 -2,-0.2 0.943 115.8 45.7 -65.9 -49.6 63.4 39.9 3.9 269 72 C I H X S+ 0 0 32 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.939 114.0 48.0 -59.3 -51.2 60.1 41.8 3.9 270 73 C N H X S+ 0 0 1 -4,-3.2 4,-2.3 70,-0.2 -1,-0.2 0.922 115.0 42.7 -60.0 -48.6 60.7 43.6 7.2 271 74 C H H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.850 109.4 58.4 -69.7 -31.5 64.2 44.8 6.5 272 75 C S H X S+ 0 0 32 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.909 111.8 41.3 -63.0 -41.9 63.3 45.9 2.9 273 76 C I H X S+ 0 0 17 -4,-1.8 4,-1.2 -5,-0.2 3,-0.4 0.923 110.6 59.3 -69.1 -44.6 60.6 48.2 4.3 274 77 C F H >X S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.886 100.5 53.8 -51.7 -47.9 62.9 49.3 7.1 275 78 C W H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.898 110.6 46.9 -57.6 -41.1 65.6 50.6 4.8 276 79 C T H 3< S+ 0 0 41 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.697 103.9 63.3 -74.5 -18.3 63.1 52.8 3.0 277 80 C N H << S+ 0 0 0 -4,-1.2 105,-3.5 -3,-0.7 2,-0.3 0.559 99.3 67.3 -79.9 -10.2 61.7 54.0 6.3 278 81 C L B << +D 381 0C 1 -3,-1.0 103,-0.2 -4,-0.6 3,-0.0 -0.844 57.6 168.1-114.7 151.3 65.0 55.6 7.2 279 82 C S > - 0 0 20 101,-2.6 3,-2.3 -2,-0.3 104,-0.1 -0.956 42.8-131.6-161.0 138.8 66.8 58.6 5.6 280 83 C P T 3 S+ 0 0 59 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.718 117.5 48.1 -62.9 -15.7 69.8 60.9 6.3 281 84 C N T 3 S+ 0 0 151 99,-0.1 99,-0.1 -3,-0.0 100,-0.1 0.195 95.9 99.2-106.5 12.9 67.3 63.6 5.5 282 85 C G < + 0 0 25 -3,-2.3 100,-0.2 98,-0.2 2,-0.1 0.149 39.2 89.2 -82.0-157.2 64.5 62.3 7.7 283 86 C G + 0 0 21 98,-2.3 100,-0.3 1,-0.2 96,-0.2 -0.368 52.8 72.2 96.1-179.1 63.5 63.4 11.2 284 87 C G S S- 0 0 57 -2,-0.1 -1,-0.2 94,-0.1 97,-0.1 -0.383 90.8 -48.2 72.9-149.2 61.1 66.1 12.3 285 88 C E - 0 0 112 -2,-0.1 2,-0.1 -3,-0.1 6,-0.1 -0.867 51.0-111.2-124.6 156.9 57.3 65.6 11.9 286 89 C P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.391 31.1-154.1 -81.5 166.4 55.1 64.5 8.9 287 90 C K > + 0 0 110 -2,-0.1 3,-0.7 96,-0.1 4,-0.5 -0.777 46.6 26.5-132.2 175.2 52.7 66.8 7.1 288 91 C G T 3> S- 0 0 52 -2,-0.2 4,-1.5 1,-0.2 3,-0.2 -0.333 116.7 -15.7 74.7-152.1 49.6 66.6 5.2 289 92 C E H 3> S+ 0 0 120 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.812 132.4 59.6 -59.5 -35.0 46.9 63.9 5.5 290 93 C L H <> S+ 0 0 1 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.938 104.8 49.1 -61.6 -46.3 49.3 61.6 7.3 291 94 C L H > S+ 0 0 34 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 0.873 113.6 47.7 -59.9 -37.5 49.7 64.1 10.1 292 95 C E H X S+ 0 0 116 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.916 109.2 52.2 -69.3 -44.7 45.9 64.5 10.3 293 96 C A H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 39,-0.3 0.893 111.4 49.4 -58.3 -39.0 45.3 60.8 10.3 294 97 C I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.4 0.898 111.0 46.5 -68.6 -42.7 47.8 60.6 13.2 295 98 C K H X S+ 0 0 92 -4,-2.0 4,-2.1 3,-0.2 -2,-0.2 0.920 114.6 51.3 -65.5 -42.2 46.1 63.4 15.3 296 99 C R H < S+ 0 0 155 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.5 31.5 -57.2 -45.3 42.8 61.8 14.6 297 100 C D H < S+ 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.716 135.3 24.4 -94.4 -19.5 43.7 58.3 15.7 298 101 C F H < S- 0 0 40 -4,-2.4 2,-0.6 -5,-0.2 -3,-0.2 0.454 97.4-119.3-124.7 -4.0 46.3 59.1 18.4 299 102 C G S < S+ 0 0 51 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 -0.282 84.1 3.4 95.8 -50.1 45.3 62.6 19.5 300 103 C S S > S- 0 0 38 -2,-0.6 4,-1.6 -6,-0.3 5,-0.1 -0.967 76.1-102.2-159.5 168.0 48.7 64.2 18.6 301 104 C F H > S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.900 120.0 51.4 -64.6 -40.9 52.0 63.4 17.0 302 105 C D H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 107.3 51.2 -67.4 -33.7 53.7 63.2 20.4 303 106 C K H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 109.9 52.4 -70.6 -32.4 51.2 60.8 21.8 304 107 C F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.939 108.4 49.0 -65.3 -48.2 51.7 58.7 18.7 305 108 C K H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 53.0 -56.6 -47.3 55.5 58.7 19.3 306 109 C E H X S+ 0 0 132 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.899 110.8 44.6 -50.2 -58.8 54.8 57.6 22.8 307 110 C K H X S+ 0 0 122 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 114.0 47.2 -48.7 -49.6 52.6 54.7 21.8 308 111 C L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.862 112.4 51.4 -67.9 -34.8 54.8 53.4 19.2 309 112 C T H X S+ 0 0 36 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.923 110.1 48.7 -66.8 -44.2 57.8 53.7 21.5 310 113 C A H X S+ 0 0 62 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.899 112.1 49.3 -62.6 -40.8 56.1 51.8 24.3 311 114 C A H < S+ 0 0 27 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.905 113.4 46.4 -65.2 -41.3 55.1 49.0 21.9 312 115 C S H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.925 114.8 45.3 -67.7 -45.3 58.6 48.7 20.5 313 116 C V H 3< S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 107.3 60.9 -68.6 -29.6 60.3 48.7 23.9 314 117 C G T 3< S+ 0 0 54 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.529 72.2 120.2 -77.1 -6.7 57.7 46.2 25.3 315 118 C V < - 0 0 17 -3,-1.0 2,-0.6 -4,-0.4 4,-0.1 -0.430 62.0-138.1 -60.9 123.4 58.6 43.5 22.7 316 119 C Q - 0 0 193 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.763 69.5 -23.6 -85.3 121.4 59.7 40.4 24.8 317 120 C G S S- 0 0 55 -2,-0.6 2,-0.3 21,-0.1 -2,-0.0 -0.587 122.8 -4.4 80.8-141.8 62.8 39.0 23.0 318 121 C S S S+ 0 0 35 -2,-0.2 21,-2.6 40,-0.1 2,-0.3 -0.639 86.0 100.3 -91.1 145.6 63.2 39.7 19.3 319 122 C G E -E 338 0D 0 19,-0.3 38,-2.4 -2,-0.3 2,-0.3 -0.997 53.7 -89.2 171.4-168.6 60.6 41.6 17.2 320 123 C W E -EF 337 356D 0 17,-2.4 17,-2.3 -2,-0.3 2,-0.4 -0.977 15.8-142.4-137.4 149.0 59.3 44.7 15.6 321 124 C G E -EF 336 355D 0 34,-2.3 34,-2.6 -2,-0.3 2,-0.4 -0.922 31.4-165.8-107.4 135.5 57.1 47.7 16.5 322 125 C W E -EF 335 354D 0 13,-3.3 13,-2.1 -2,-0.4 2,-0.6 -0.957 30.4-156.5-132.1 148.4 54.8 48.8 13.6 323 126 C L E +EF 334 353D 0 30,-2.4 29,-2.5 -2,-0.4 30,-1.7 -0.982 40.8 169.9-110.1 116.2 52.6 51.7 12.6 324 127 C G E -EF 333 351D 0 9,-3.5 9,-3.1 -2,-0.6 2,-0.5 -0.824 34.4-117.1-128.3 170.7 50.1 50.1 10.2 325 128 C F E -EF 332 350D 21 25,-2.6 25,-2.5 -2,-0.3 2,-0.9 -0.934 17.4-145.3-112.2 126.6 46.9 50.8 8.3 326 129 C N E >> -E 331 0D 32 5,-2.8 4,-2.9 -2,-0.5 5,-0.8 -0.795 9.0-167.5 -92.0 104.8 43.7 48.9 9.0 327 130 C K T 45S+ 0 0 130 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.831 84.7 54.3 -58.8 -36.9 41.9 48.6 5.6 328 131 C E T 45S+ 0 0 181 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.959 121.0 26.8 -64.5 -53.6 38.7 47.4 7.4 329 132 C R T 45S- 0 0 176 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.754 98.1-130.9 -82.3 -26.8 38.3 50.2 9.8 330 133 C G T <5 + 0 0 31 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.771 67.7 114.7 80.1 25.7 40.1 52.9 7.8 331 134 C H E S-E 319 0D 70 0, 0.0 3,-2.1 0, 0.0 -19,-0.3 -0.471 70.5 -29.8 -80.4 151.6 57.6 38.6 17.3 339 142 C N T 3 S- 0 0 77 -21,-2.6 -2,-0.1 1,-0.3 19,-0.1 -0.164 123.8 -29.6 45.8-121.1 60.8 37.6 15.6 340 143 C Q T 3 S+ 0 0 0 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.240 88.2 142.7-109.8 12.2 60.5 38.2 11.8 341 144 C D < - 0 0 26 -3,-2.1 2,-0.1 1,-0.1 -21,-0.1 -0.358 52.7-126.8 -53.7 119.4 56.7 37.6 11.6 342 145 C P > - 0 0 2 0, 0.0 4,-1.5 0, 0.0 5,-0.3 -0.430 7.0-127.1 -74.6 146.8 55.7 40.2 8.9 343 146 C L H >>S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.7 0.955 102.1 37.9 -57.6 -60.5 52.9 42.7 9.6 344 147 C Q H >5S+ 0 0 82 1,-0.2 4,-1.9 4,-0.2 -1,-0.2 0.944 115.2 52.3 -61.1 -51.0 50.6 42.2 6.7 345 148 C G H 45S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.771 122.0 30.3 -58.3 -28.8 51.0 38.4 6.4 346 149 C T H <5S+ 0 0 63 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.683 136.3 19.8-105.8 -21.0 50.1 37.8 10.0 347 150 C T H <5S- 0 0 70 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.576 89.8-124.6-122.5 -16.8 47.7 40.6 10.9 348 151 C G << + 0 0 48 -4,-1.9 -21,-0.3 -5,-0.7 -4,-0.2 0.289 66.4 132.9 88.1 -12.4 46.4 41.9 7.7 349 152 C L - 0 0 7 -6,-0.6 -1,-0.3 -23,-0.1 -2,-0.2 -0.473 60.8-121.3 -73.7 144.3 47.5 45.5 8.5 350 153 C I E -F 325 0D 35 -25,-2.5 -25,-2.6 -2,-0.1 2,-0.2 -0.763 31.0-122.9 -86.4 123.9 49.4 47.4 5.8 351 154 C P E +F 324 0D 13 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.472 40.7 161.1 -71.6 133.2 52.9 48.4 7.1 352 155 C L E S+ 0 0 0 -29,-2.5 2,-0.3 1,-0.3 -28,-0.2 0.692 70.6 7.7-115.7 -42.5 53.7 52.1 7.0 353 156 C L E -F 323 0D 0 -30,-1.7 -30,-2.4 36,-0.1 2,-0.4 -0.969 65.6-168.4-147.6 127.1 56.6 52.4 9.5 354 157 C G E -F 322 0D 1 -2,-0.3 2,-0.5 -32,-0.2 -32,-0.2 -0.928 8.7-160.0-122.0 145.2 58.6 49.7 11.2 355 158 C I E -F 321 0D 0 -34,-2.6 -34,-2.3 -2,-0.4 2,-0.5 -0.972 16.7-142.1-124.8 115.1 61.1 49.7 14.0 356 159 C D E +F 320 0D 0 -2,-0.5 -36,-0.2 -36,-0.2 -44,-0.0 -0.646 22.6 174.1 -77.9 118.1 63.4 46.8 14.4 357 160 C V + 0 0 0 -38,-2.4 2,-0.2 -2,-0.5 -37,-0.1 0.088 32.4 127.5-114.2 23.1 64.1 45.9 18.0 358 161 C W S >> S- 0 0 43 -39,-0.3 3,-1.9 -40,-0.2 4,-0.5 -0.541 74.9-114.0 -68.1 147.8 66.1 42.7 17.6 359 162 C E H >> S+ 0 0 110 1,-0.3 4,-3.1 2,-0.2 3,-1.2 0.818 114.3 67.8 -59.1 -28.8 69.2 43.3 19.7 360 163 C H H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.701 90.0 69.0 -65.6 -15.5 71.4 43.3 16.6 361 164 C A H <4 S- 0 0 3 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.834 125.2 -4.0 -66.6 -31.4 69.6 46.6 15.6 362 165 C Y H XX>S+ 0 0 5 -3,-1.2 4,-3.2 -4,-0.5 3,-0.9 0.589 97.9 101.8-145.3 -9.1 71.2 48.6 18.4 363 166 C Y H 3X5S+ 0 0 109 -4,-3.1 4,-1.7 1,-0.2 -3,-0.1 0.847 80.7 57.2 -54.4 -44.5 73.3 46.6 20.8 364 167 C L H 345S+ 0 0 87 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.851 123.4 25.4 -57.1 -33.3 76.8 47.6 19.4 365 168 C Q H <45S+ 0 0 49 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.854 137.4 22.5-100.2 -43.0 75.9 51.3 20.0 366 169 C Y H ><5S- 0 0 38 -4,-3.2 3,-2.1 1,-0.3 -3,-0.2 0.384 83.8-162.0-108.4 3.6 73.3 51.5 22.7 367 170 C K T 3<< - 0 0 114 -4,-1.7 -1,-0.3 -5,-0.5 -2,-0.1 -0.227 69.9 -15.2 50.5-133.9 73.9 48.2 24.5 368 171 C N T 3 S+ 0 0 120 1,-0.1 2,-1.9 -5,-0.1 -1,-0.3 0.531 110.1 101.4 -76.4 -9.0 71.0 47.2 26.7 369 172 C V X> + 0 0 51 -3,-2.1 4,-1.3 1,-0.2 3,-1.1 -0.490 40.4 169.3 -83.6 77.5 69.3 50.6 26.7 370 173 C R H 3> S+ 0 0 29 -2,-1.9 4,-2.2 1,-0.3 5,-0.2 0.848 73.0 62.2 -54.3 -38.6 66.6 50.1 24.1 371 174 C P H 3> S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.846 100.7 52.4 -59.8 -33.5 64.9 53.4 25.1 372 175 C D H <> S+ 0 0 83 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.906 108.0 52.4 -67.7 -40.1 68.0 55.4 23.9 373 176 C Y H X S+ 0 0 2 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.935 111.2 45.8 -59.7 -48.0 67.9 53.6 20.6 374 177 C L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.837 109.0 55.1 -67.1 -32.4 64.3 54.5 20.1 375 178 C K H < S+ 0 0 167 -4,-1.9 3,-0.3 -5,-0.2 4,-0.2 0.893 112.3 44.7 -67.0 -36.8 64.8 58.1 21.1 376 179 C A H >< S+ 0 0 12 -4,-1.9 3,-1.6 1,-0.2 4,-0.2 0.849 101.3 65.0 -76.0 -35.3 67.5 58.4 18.4 377 180 C I H >< S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.3 4,-0.3 0.748 86.5 71.7 -62.7 -24.4 65.7 56.7 15.6 378 181 C W G >< S+ 0 0 18 -4,-0.8 3,-0.6 -3,-0.3 -1,-0.3 0.769 88.6 64.9 -62.5 -23.6 63.1 59.4 15.4 379 182 C N G < S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.610 108.2 38.0 -75.5 -12.5 65.8 61.7 13.9 380 183 C V G < S+ 0 0 4 -3,-1.7 -101,-2.6 -4,-0.2 2,-0.2 0.252 77.5 132.1-123.8 14.0 66.1 59.6 10.8 381 184 C I B < -D 278 0C 0 -3,-0.6 -98,-2.3 -4,-0.3 2,-1.4 -0.497 55.4-134.9 -68.2 130.1 62.6 58.5 10.0 382 185 C N >> + 0 0 28 -105,-3.5 4,-1.9 -2,-0.2 3,-1.0 -0.682 27.3 177.7 -88.1 87.6 61.8 59.1 6.3 383 186 C W H 3> S+ 0 0 10 -2,-1.4 4,-2.6 -100,-0.3 -1,-0.2 0.774 75.8 63.4 -62.8 -27.0 58.3 60.6 6.6 384 187 C E H 3> S+ 0 0 136 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.814 107.2 43.9 -65.3 -31.3 58.1 61.2 2.9 385 188 C N H <> S+ 0 0 19 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.883 112.6 50.1 -80.4 -42.3 58.3 57.4 2.4 386 189 C V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.910 110.0 54.2 -61.9 -39.9 55.8 56.7 5.2 387 190 C T H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 108.3 46.2 -61.3 -46.7 53.5 59.2 3.6 388 191 C E H X S+ 0 0 114 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.805 110.3 53.0 -70.7 -25.0 53.5 57.6 0.2 389 192 C R H X S+ 0 0 68 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.886 111.8 48.5 -71.5 -36.6 52.9 54.1 1.7 390 193 C Y H >< S+ 0 0 31 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.906 110.2 49.1 -66.8 -44.0 50.0 55.7 3.5 391 194 C M H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 103.7 62.5 -66.8 -28.5 48.6 57.4 0.3 392 195 C A H 3< 0 0 86 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.750 360.0 360.0 -69.4 -24.6 48.9 54.0 -1.5 393 196 C C << 0 0 39 -3,-0.8 -3,-0.1 -4,-0.7 -2,-0.1 0.590 360.0 360.0-124.0 360.0 46.4 52.4 0.8