==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-04 1TU8 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCHOCERCA VOLVULUS; . AUTHOR M.PERBANDT . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.8 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 . 12 1.4 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 . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 0 3 1 8 11 0 0 0 4 0 0 0 0 0 0 0 0 0 0 3 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 . 4 0 0 8 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 . 0 0 4 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 M 0 0 195 0, 0.0 27,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 -28.1 35.8 4.3 24.9 2 2 A S + 0 0 73 25,-0.2 54,-2.6 1,-0.1 2,-0.4 0.653 360.0 53.8 -85.7 -14.2 35.2 1.3 27.2 3 3 A Y E +A 55 0A 9 24,-0.4 26,-2.6 52,-0.2 2,-0.4 -0.972 59.3 177.9-119.1 135.2 31.9 2.7 28.5 4 4 A K E -Ab 54 29A 75 50,-1.8 50,-2.7 -2,-0.4 2,-0.7 -0.982 11.1-161.7-131.9 125.2 28.9 4.0 26.4 5 5 A L E -Ab 53 30A 0 24,-2.7 26,-1.8 -2,-0.4 2,-0.6 -0.914 9.6-163.4-106.4 111.5 25.7 5.3 28.1 6 6 A T E +Ab 52 31A 2 46,-2.9 46,-1.9 -2,-0.7 2,-0.3 -0.847 31.2 125.1 -99.1 118.9 22.8 5.3 25.7 7 7 A Y E - b 0 32A 18 24,-2.1 26,-2.6 -2,-0.6 5,-0.0 -0.928 60.2 -72.2-154.0 176.6 19.8 7.4 26.7 8 8 A F E - b 0 33A 53 -2,-0.3 2,-1.8 24,-0.2 26,-0.2 -0.264 56.7 -95.0 -69.8 165.9 17.6 10.2 25.4 9 9 A S S S+ 0 0 63 24,-0.9 2,-0.3 23,-0.1 -1,-0.1 -0.365 98.3 81.8 -86.3 55.5 18.9 13.8 25.3 10 10 A I S S- 0 0 13 -2,-1.8 192,-0.2 1,-0.2 4,-0.1 -0.894 86.0-112.5-142.8 173.0 17.5 14.7 28.7 11 11 A R S >> S+ 0 0 2 190,-1.8 4,-1.5 -2,-0.3 3,-1.0 0.987 72.5 120.8 -73.0 -67.5 18.5 14.3 32.3 12 12 A G G >4 S- 0 0 9 190,-2.4 3,-0.5 1,-0.2 191,-0.1 0.034 87.7 -18.3 49.3-139.4 15.8 11.8 33.3 13 13 A L G 34 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.631 134.8 59.2 -74.5 -20.0 16.7 8.4 34.6 14 14 A A G X> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.2 3,-0.9 0.717 81.1 83.9 -83.1 -23.4 20.3 8.6 33.2 15 15 A E H S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.844 111.6 49.7 -57.3 -34.1 22.5 10.0 38.3 17 17 A I H <> S+ 0 0 2 -3,-0.9 4,-2.5 -4,-0.3 -2,-0.2 0.917 110.8 48.5 -69.5 -45.1 24.6 7.6 36.3 18 18 A R H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.932 111.4 50.8 -57.6 -46.1 26.2 10.4 34.3 19 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.910 110.1 49.4 -59.7 -45.4 26.9 12.2 37.6 20 20 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.940 114.5 44.9 -56.5 -50.6 28.6 9.1 39.1 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-0.2 0.943 115.4 46.0 -63.9 -48.8 30.8 8.6 36.0 22 22 A V H ><5S+ 0 0 33 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.936 114.6 46.5 -59.6 -50.0 31.8 12.3 35.7 23 23 A D H 3<5S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 113.8 48.0 -69.1 -26.2 32.6 12.7 39.4 24 24 A Q T 3<5S- 0 0 60 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.346 113.5-119.1 -92.6 5.5 34.6 9.4 39.6 25 25 A D T < 5 + 0 0 92 -3,-1.5 2,-0.7 -4,-0.2 -3,-0.2 0.830 57.3 157.1 56.5 39.7 36.5 10.5 36.4 26 26 A I < - 0 0 12 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.855 38.6-135.1 -94.5 114.6 35.3 7.5 34.4 27 27 A K + 0 0 140 -2,-0.7 -24,-0.4 -3,-0.1 2,-0.3 -0.504 36.6 161.0 -74.3 134.0 35.5 8.3 30.8 28 28 A F - 0 0 40 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.990 46.0-107.1-151.0 157.7 32.5 7.4 28.7 29 29 A I E -b 4 0A 84 -26,-2.6 -24,-2.7 -2,-0.3 2,-1.4 -0.814 28.9-148.7 -85.2 113.5 30.6 8.0 25.5 30 30 A D E -b 5 0A 52 -2,-0.7 2,-1.3 -26,-0.2 -24,-0.1 -0.724 17.4-166.5 -83.2 88.5 27.5 10.0 26.4 31 31 A D E -b 6 0A 50 -26,-1.8 -24,-2.1 -2,-1.4 2,-0.7 -0.655 8.4-178.8 -88.0 88.5 25.3 8.6 23.6 32 32 A R E -b 7 0A 71 -2,-1.3 -24,-0.2 -26,-0.2 2,-0.2 -0.820 10.6-161.1 -96.7 109.2 22.3 10.9 23.6 33 33 A I E -b 8 0A 21 -26,-2.6 -24,-0.9 -2,-0.7 2,-0.2 -0.587 19.5-112.0 -96.3 152.7 19.8 9.8 20.9 34 34 A A >> - 0 0 53 -2,-0.2 3,-1.3 -26,-0.2 4,-0.6 -0.550 29.2-120.0 -75.1 146.7 17.0 11.7 19.3 35 35 A K G >4 S+ 0 0 137 1,-0.3 3,-0.9 -2,-0.2 4,-0.5 0.835 112.0 55.2 -57.4 -36.0 13.5 10.5 20.2 36 36 A D G 34 S+ 0 0 157 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.632 102.4 57.5 -75.7 -16.0 12.7 9.6 16.5 37 37 A D G <> S+ 0 0 96 -3,-1.3 4,-0.7 1,-0.1 3,-0.5 0.603 88.6 76.1 -85.8 -14.0 15.8 7.4 16.2 38 38 A F H XX S+ 0 0 23 -3,-0.9 4,-1.0 -4,-0.6 3,-0.8 0.861 82.8 64.0 -70.3 -35.2 14.8 5.1 19.1 39 39 A S H 34 S+ 0 0 107 -4,-0.5 3,-0.4 1,-0.2 4,-0.3 0.860 101.3 52.5 -54.1 -37.1 12.1 3.2 17.2 40 40 A S H 34 S+ 0 0 94 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.751 119.1 32.3 -75.2 -25.6 14.7 1.8 14.8 41 41 A I H X< S+ 0 0 41 -3,-0.8 3,-1.7 -4,-0.7 4,-0.3 0.342 86.6 108.0-110.2 5.2 17.0 0.4 17.6 42 42 A K G >< S+ 0 0 86 -4,-1.0 3,-1.6 -3,-0.4 6,-0.2 0.835 72.9 56.6 -56.4 -43.2 14.4 -0.5 20.2 43 43 A S G 3 S+ 0 0 102 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.577 90.4 74.8 -70.3 -9.3 14.6 -4.3 19.9 44 44 A Q G < S+ 0 0 109 -3,-1.7 2,-0.4 4,-0.1 -1,-0.3 0.628 85.6 77.6 -74.5 -13.8 18.3 -4.3 20.6 45 45 A F S X S- 0 0 8 -3,-1.6 3,-1.4 -4,-0.3 5,-0.1 -0.813 86.1-125.4-105.8 142.1 17.6 -3.6 24.3 46 46 A Q T 3 S+ 0 0 46 -2,-0.4 294,-0.2 1,-0.3 293,-0.1 0.747 110.9 22.7 -61.0 -30.0 16.4 -6.4 26.7 47 47 A F T 3 S- 0 0 6 2,-0.3 -1,-0.3 -5,-0.1 3,-0.1 0.188 111.7-108.4-118.5 14.0 13.2 -4.5 27.8 48 48 A G S < S+ 0 0 5 -3,-1.4 2,-0.3 -6,-0.2 -2,-0.1 0.738 86.8 97.4 67.5 25.0 12.9 -2.3 24.8 49 49 A Q - 0 0 98 2,-0.1 -2,-0.3 -7,-0.0 -1,-0.2 -0.913 61.1 -86.5-144.7 163.7 14.0 0.8 26.8 50 50 A L S S+ 0 0 15 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.798 73.1 69.4-117.6 159.8 16.8 3.1 27.9 51 51 A P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.368 58.3 176.6 -76.2 162.1 19.1 3.8 29.6 52 52 A C E -AC 6 61A 0 -46,-1.9 -46,-2.9 9,-0.2 2,-0.6 -0.998 16.3-158.0-132.4 128.8 21.7 1.2 28.5 53 53 A L E -AC 5 60A 0 7,-3.2 7,-2.6 -2,-0.4 2,-0.8 -0.956 4.4-157.7-105.3 120.0 25.3 1.0 29.7 54 54 A Y E -AC 4 59A 54 -50,-2.7 -50,-1.8 -2,-0.6 2,-0.7 -0.896 11.6-174.4 -90.2 111.6 27.7 -0.9 27.5 55 55 A D E > -AC 3 58A 10 3,-2.1 3,-2.4 -2,-0.8 2,-0.2 -0.904 62.6 -60.7-108.5 99.1 30.5 -1.9 29.9 56 56 A G T 3 S- 0 0 48 -54,-2.6 -52,-0.1 -2,-0.7 0, 0.0 -0.487 122.0 -15.6 57.0-121.5 33.1 -3.5 27.6 57 57 A D T 3 S+ 0 0 179 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.518 118.3 100.6 -88.2 -6.8 31.2 -6.4 26.0 58 58 A Q E < -C 55 0A 43 -3,-2.4 -3,-2.1 2,-0.0 2,-0.6 -0.625 58.3-155.2 -83.3 135.8 28.4 -6.3 28.6 59 59 A Q E -C 54 0A 60 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.956 17.6-177.3-111.8 113.4 25.0 -4.7 27.7 60 60 A I E +C 53 0A 4 -7,-2.6 -7,-3.2 -2,-0.6 2,-0.2 -0.940 5.1 178.0-121.8 112.3 23.3 -3.6 30.9 61 61 A V E +C 52 0A 3 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.499 43.9 73.5 -99.3 175.2 19.8 -2.0 30.9 62 62 A Q > - 0 0 17 -11,-0.8 4,-2.6 -2,-0.2 3,-0.5 0.840 69.7-129.0 81.1 106.1 17.7 -0.9 33.9 63 63 A S H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.805 106.5 49.4 -53.4 -40.9 19.0 2.4 35.6 64 64 A G H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.879 112.5 47.1 -67.6 -39.8 19.0 0.9 39.1 65 65 A A H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.879 111.9 52.3 -67.8 -38.2 21.0 -2.2 38.0 66 66 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.945 112.0 44.1 -60.1 -50.6 23.4 -0.0 36.1 67 67 A L H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 113.4 50.5 -67.8 -37.8 24.1 2.2 39.1 68 68 A R H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.868 110.0 51.0 -66.6 -36.5 24.4 -0.7 41.5 69 69 A H H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 111.3 47.3 -64.9 -46.5 26.9 -2.4 39.1 70 70 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-0.2 0.909 109.3 54.9 -61.6 -42.2 29.1 0.7 38.9 71 71 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.5 0.899 111.3 44.2 -57.9 -43.2 29.0 1.1 42.6 72 72 A R H ><5S+ 0 0 60 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.940 113.8 50.4 -64.9 -45.5 30.3 -2.5 43.1 73 73 A K H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.819 119.7 34.4 -67.1 -32.3 32.9 -2.0 40.4 74 74 A Y T 3<5S- 0 0 81 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.158 111.4-110.0-112.7 16.2 34.3 1.2 41.8 75 75 A N T < 5S+ 0 0 112 -3,-1.0 -3,-0.2 -4,-0.4 3,-0.2 0.872 81.5 123.3 60.3 41.0 33.9 0.6 45.6 76 76 A L < + 0 0 11 -5,-2.6 73,-2.0 -6,-0.2 74,-0.3 -0.148 46.5 94.2-114.3 34.2 31.0 3.1 46.1 77 77 A N S S- 0 0 28 -6,-0.5 3,-0.1 1,-0.4 -1,-0.1 0.093 97.7 -89.1-115.8 19.1 28.7 0.4 47.5 78 78 A G - 0 0 14 69,-0.3 -1,-0.4 -3,-0.2 3,-0.1 -0.040 31.7-102.1 86.5 164.3 29.4 0.8 51.3 79 79 A E S S+ 0 0 105 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.410 94.9 14.7-106.4 -4.0 32.0 -0.9 53.4 80 80 A N S > S- 0 0 82 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.965 89.3 -86.0-158.7 174.8 29.8 -3.6 55.1 81 81 A E H > S+ 0 0 63 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.854 123.1 49.5 -56.7 -41.8 26.4 -5.3 54.8 82 82 A M H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 113.1 46.5 -66.7 -41.8 24.5 -2.6 56.9 83 83 A E H > S+ 0 0 31 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.929 113.2 48.7 -64.9 -45.3 26.0 0.2 54.8 84 84 A T H X S+ 0 0 15 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.896 115.3 45.1 -61.9 -42.9 25.3 -1.5 51.5 85 85 A T H X S+ 0 0 9 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.925 112.2 52.6 -64.6 -45.2 21.7 -2.2 52.6 86 86 A Y H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 110.0 45.3 -62.6 -46.3 21.2 1.3 53.9 87 87 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.841 112.4 53.3 -69.2 -30.3 22.3 3.1 50.7 88 88 A D H X S+ 0 0 1 -4,-1.4 4,-2.9 -5,-0.3 5,-0.2 0.969 111.3 45.5 -63.4 -52.7 20.1 0.7 48.7 89 89 A M H X S+ 0 0 5 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.906 115.5 47.5 -53.7 -45.3 17.1 1.5 50.9 90 90 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.934 112.5 48.1 -66.8 -46.3 17.9 5.2 50.6 91 91 A C H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.880 108.7 54.0 -65.7 -37.9 18.4 5.1 46.9 92 92 A E H X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.880 106.6 53.1 -63.5 -36.0 15.1 3.2 46.4 93 93 A G H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.912 105.9 53.0 -61.7 -42.2 13.3 5.9 48.4 94 94 A V H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.928 107.4 51.7 -57.9 -45.6 14.8 8.5 46.0 95 95 A R H X S+ 0 0 68 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.857 105.4 55.9 -59.3 -37.6 13.4 6.5 43.1 96 96 A D H X S+ 0 0 41 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.887 108.2 47.6 -62.0 -42.5 9.9 6.5 44.7 97 97 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.906 109.4 53.8 -64.4 -40.1 10.1 10.3 44.9 98 98 A H H X S+ 0 0 23 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.855 104.7 54.7 -63.8 -34.8 11.1 10.4 41.2 99 99 A V H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.920 110.1 46.3 -62.3 -44.2 8.1 8.3 40.3 100 100 A K H X S+ 0 0 54 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.938 114.4 49.1 -62.2 -45.4 5.8 10.8 42.0 101 101 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.926 113.0 44.4 -58.9 -51.3 7.6 13.6 40.2 102 102 A T H X S+ 0 0 35 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.837 108.3 57.6 -71.2 -32.1 7.5 12.1 36.7 103 103 A R H X S+ 0 0 106 -4,-2.1 4,-2.0 -5,-0.2 5,-0.4 0.939 112.1 42.5 -58.7 -47.2 3.9 11.1 37.0 104 104 A M H X S+ 0 0 0 -4,-1.8 4,-1.7 3,-0.2 -2,-0.2 0.935 116.0 49.1 -62.6 -47.3 3.1 14.8 37.7 105 105 A I H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.917 122.2 30.3 -59.6 -49.3 5.4 16.0 35.0 106 106 A Y H < S+ 0 0 109 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.736 130.9 29.6 -87.0 -26.5 4.2 13.7 32.2 107 107 A M H < S+ 0 0 151 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.634 134.1 6.7-111.8 -18.4 0.5 13.2 33.0 108 108 A A X + 0 0 14 -4,-1.7 4,-2.4 -5,-0.4 5,-0.4 -0.038 65.4 145.4-163.5 44.8 -0.8 16.3 34.9 109 109 A Y H > S+ 0 0 40 -4,-0.5 4,-1.1 1,-0.2 5,-0.2 0.881 78.6 46.1 -60.8 -39.8 1.7 19.2 35.0 110 110 A E H 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.832 123.6 30.6 -77.9 -32.1 -0.9 22.0 34.7 111 111 A T H 4 S+ 0 0 104 -3,-0.2 -2,-0.2 -7,-0.1 -1,-0.2 0.668 127.4 36.7 -98.8 -20.9 -3.3 20.7 37.3 112 112 A E H X S+ 0 0 61 -4,-2.4 4,-2.0 -8,-0.2 -3,-0.2 0.510 89.5 85.8-115.9 -6.7 -1.1 18.8 39.7 113 113 A K H X S+ 0 0 62 -4,-1.1 4,-2.3 -5,-0.4 5,-0.2 0.938 95.0 43.9 -61.3 -49.0 2.2 20.9 39.9 114 114 A D H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.939 115.0 46.5 -67.7 -48.2 0.9 23.2 42.7 115 115 A P H > S+ 0 0 58 0, 0.0 4,-2.5 0, 0.0 5,-0.5 0.849 112.7 53.7 -58.3 -34.6 -0.8 20.5 44.9 116 116 A Y H X>S+ 0 0 6 -4,-2.0 5,-3.3 3,-0.2 4,-1.4 0.947 111.3 43.8 -63.0 -48.1 2.5 18.5 44.4 117 117 A I H <5S+ 0 0 28 -4,-2.3 -1,-0.2 3,-0.2 -3,-0.1 0.867 125.5 32.7 -64.9 -38.4 4.7 21.4 45.6 118 118 A K H <5S+ 0 0 107 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.821 132.3 21.9 -89.7 -35.2 2.4 22.3 48.6 119 119 A S H <5S+ 0 0 91 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.478 129.3 26.7-123.7 -8.2 0.8 19.0 49.7 120 120 A I T X5S+ 0 0 72 -4,-1.4 4,-1.6 -5,-0.5 3,-0.2 0.659 111.0 56.0-116.9 -52.6 3.1 16.0 48.6 121 121 A L H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.914 109.8 47.4 -58.3 -43.5 7.2 18.6 51.7 123 123 A G H > S+ 0 0 41 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.838 113.5 49.7 -64.7 -34.0 6.2 15.4 53.5 124 124 A E H X S+ 0 0 30 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.911 111.4 47.1 -70.9 -41.7 8.4 13.4 51.1 125 125 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.870 105.7 60.4 -66.0 -35.8 11.4 15.7 51.7 126 126 A A H X S+ 0 0 42 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.852 100.7 55.2 -61.3 -36.0 10.8 15.5 55.5 127 127 A K H X S+ 0 0 45 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.917 111.0 44.2 -62.0 -44.3 11.3 11.7 55.3 128 128 A F H X S+ 0 0 4 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.874 110.5 54.7 -67.3 -38.5 14.7 12.2 53.6 129 129 A E H X S+ 0 0 28 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.908 112.7 43.2 -60.4 -44.1 15.7 15.0 56.1 130 130 A K H < S+ 0 0 157 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.924 116.7 46.8 -67.0 -44.9 15.0 12.7 59.0 131 131 A L H >< S+ 0 0 8 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.887 104.4 59.8 -67.2 -41.8 16.7 9.7 57.4 132 132 A L H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 6,-0.4 0.890 97.4 63.4 -54.9 -38.1 19.8 11.6 56.3 133 133 A A T 3< S+ 0 0 36 -4,-1.1 4,-0.5 1,-0.2 -1,-0.3 0.562 81.1 80.2 -65.3 -11.1 20.5 12.4 60.0 134 134 A T T < S+ 0 0 92 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.2 0.677 94.2 47.1 -75.7 -14.9 21.0 8.7 61.0 135 135 A R S X S- 0 0 53 -3,-1.3 3,-1.7 -4,-0.3 5,-0.3 -0.984 133.4 -10.7-129.8 121.5 24.6 8.7 59.7 136 136 A G G > S- 0 0 50 -2,-0.4 3,-2.0 1,-0.3 -2,-0.1 0.744 116.3 -74.6 66.4 26.4 27.1 11.5 60.5 137 137 A N G 3 S- 0 0 121 -4,-0.5 -1,-0.3 1,-0.3 -4,-0.2 0.631 77.3 -81.1 53.4 17.7 24.2 13.5 61.9 138 138 A G G < S+ 0 0 3 -3,-1.7 -1,-0.3 -6,-0.4 -5,-0.2 0.666 105.6 122.8 67.4 19.7 23.4 13.9 58.2 139 139 A R S < S+ 0 0 177 -3,-2.0 -2,-0.1 -6,-0.1 -3,-0.1 0.413 76.9 18.0 -97.5 1.1 25.9 16.8 58.1 140 140 A N S S- 0 0 40 1,-0.4 2,-0.2 -5,-0.3 5,-0.2 0.109 116.7 -27.9-130.0-109.4 28.1 15.3 55.3 141 141 A L B > S-D 144 0B 6 3,-2.3 3,-1.5 40,-0.1 -1,-0.4 -0.507 71.1 -86.7-110.7 179.6 27.1 12.5 52.8 142 142 A I T 3 S+ 0 0 0 1,-0.3 -4,-0.1 -2,-0.2 3,-0.1 0.876 130.4 35.7 -58.1 -39.8 24.6 9.7 53.1 143 143 A L T 3 S- 0 0 17 3,-0.6 2,-0.7 1,-0.2 -1,-0.3 0.414 117.9-111.9 -90.6 4.3 27.2 7.3 54.7 144 144 A G B < S+D 141 0B 7 -3,-1.5 -3,-2.3 -9,-0.3 -1,-0.2 -0.932 91.2 3.7 99.9-112.9 28.9 10.1 56.7 145 145 A D S S+ 0 0 142 -2,-0.7 2,-0.5 -5,-0.2 -1,-0.2 0.751 116.5 75.8 -83.1 -23.9 32.4 10.7 55.3 146 146 A K S S- 0 0 120 -3,-0.2 -3,-0.6 -5,-0.1 -2,-0.1 -0.766 75.8-131.3 -99.1 129.3 32.4 8.3 52.4 147 147 A I - 0 0 31 -2,-0.5 2,-0.3 -5,-0.1 -69,-0.3 -0.362 28.6-178.6 -69.8 152.2 30.6 9.0 49.1 148 148 A S >> - 0 0 0 -71,-0.1 3,-1.3 -2,-0.1 4,-0.7 -0.915 44.1 -94.6-145.0 170.6 28.4 6.3 47.7 149 149 A Y H >> S+ 0 0 2 -73,-2.0 4,-1.2 -2,-0.3 3,-0.7 0.840 118.4 64.9 -60.7 -31.6 26.2 5.9 44.6 150 150 A A H 3> S+ 0 0 0 -74,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.788 90.4 65.3 -62.8 -29.6 23.1 7.0 46.5 151 151 A D H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.893 100.7 50.2 -61.2 -38.8 24.6 10.5 47.0 152 152 A Y H < - 0 0 32 -4,-3.0 3,-2.3 1,-0.1 -1,-0.3 -0.858 67.9-161.7-137.0 96.6 10.1 24.8 43.3 166 166 A P T 3 S+ 0 0 87 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.724 92.2 47.3 -50.2 -27.3 13.1 27.0 44.1 167 167 A H T > S+ 0 0 125 1,-0.2 3,-1.7 2,-0.1 4,-0.3 0.326 76.7 107.7 -98.8 6.2 12.2 27.2 47.8 168 168 A C T < S+ 0 0 12 -3,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.742 83.6 42.9 -63.7 -26.8 11.5 23.5 48.5 169 169 A L T > S+ 0 0 0 -3,-0.3 3,-1.8 -4,-0.2 7,-0.3 0.411 82.1 103.6 -97.0 0.9 14.7 23.0 50.6 170 170 A D T < S+ 0 0 84 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.852 89.9 36.2 -49.3 -41.6 14.4 26.3 52.6 171 171 A K T 3 S+ 0 0 184 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.231 103.3 76.7-103.4 13.8 13.1 24.5 55.7 172 172 A F <> + 0 0 33 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.776 56.7 177.9-121.7 81.8 15.2 21.3 55.3 173 173 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.860 77.4 49.9 -59.8 -40.6 18.7 22.4 56.5 174 174 A L H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.925 115.5 41.8 -64.1 -45.0 20.4 18.9 56.1 175 175 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 114.5 53.0 -68.0 -39.9 19.1 18.4 52.5 176 176 A K H X S+ 0 0 98 -4,-2.7 4,-2.1 -7,-0.3 -2,-0.2 0.940 113.2 42.7 -59.4 -47.1 19.8 22.0 51.6 177 177 A V H X S+ 0 0 71 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.862 110.7 55.4 -71.4 -37.3 23.4 21.7 52.8 178 178 A F H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.925 108.6 49.1 -57.5 -44.8 23.9 18.3 51.2 179 179 A H H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.928 112.5 47.9 -60.7 -45.5 22.8 19.8 47.9 180 180 A Q H X S+ 0 0 87 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.901 112.0 50.3 -58.3 -44.7 25.3 22.7 48.4 181 181 A R H < S+ 0 0 100 -4,-2.8 4,-0.4 1,-0.2 3,-0.2 0.921 112.9 44.5 -64.2 -45.9 28.0 20.2 49.3 182 182 A M H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.921 110.0 54.1 -67.3 -44.4 27.5 18.0 46.3 183 183 A K H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.756 104.5 58.0 -63.4 -23.6 27.2 21.0 43.8 184 184 A D T 3< S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.559 73.0 111.5 -84.3 -10.4 30.6 22.3 45.1 185 185 A R S <> S- 0 0 73 -3,-1.5 4,-2.8 -4,-0.4 3,-0.3 -0.543 75.3-130.5 -62.0 121.7 32.5 19.1 44.2 186 186 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.806 101.3 47.6 -53.3 -42.3 34.7 20.4 41.4 187 187 A K H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.904 117.6 43.5 -66.3 -40.3 34.0 17.7 38.7 188 188 A L H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.888 111.3 55.0 -67.7 -41.1 30.2 18.0 39.4 189 189 A K H X S+ 0 0 75 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.931 111.8 43.3 -56.8 -49.9 30.4 21.8 39.5 190 190 A E H X S+ 0 0 119 -4,-2.1 4,-1.8 -5,-0.2 5,-0.2 0.930 117.6 45.0 -62.0 -49.3 32.0 22.0 36.0 191 191 A Y H X S+ 0 0 38 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 114.4 47.3 -64.1 -45.7 29.7 19.3 34.5 192 192 A C H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.862 110.8 51.2 -68.5 -37.9 26.5 20.7 35.9 193 193 A E H X S+ 0 0 130 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.886 112.0 46.7 -68.0 -38.5 27.3 24.3 34.9 194 194 A K H X S+ 0 0 132 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.897 113.5 49.8 -65.7 -42.5 28.0 23.3 31.3 195 195 A R H <>S+ 0 0 11 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.921 113.8 44.5 -60.6 -44.2 24.8 21.2 31.2 196 196 A D H ><5S+ 0 0 68 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.812 110.0 53.2 -79.2 -29.6 22.7 24.0 32.5 197 197 A A H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 108.1 53.3 -68.7 -30.8 24.2 26.7 30.3 198 198 A A T 3<5S- 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.421 112.2-127.5 -80.8 -0.9 23.4 24.3 27.4 199 199 A K T < 5 - 0 0 170 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.860 33.5-171.6 57.6 40.1 19.7 24.2 28.7 200 200 A V < - 0 0 24 -5,-2.0 -1,-0.2 1,-0.1 2,-0.1 -0.461 24.7-120.1 -60.5 127.8 19.6 20.5 28.8 201 201 A P - 0 0 46 0, 0.0 -190,-1.8 0, 0.0 -1,-0.1 -0.474 8.1-144.5 -72.6 147.3 16.0 19.6 29.6 202 202 A V S S+ 0 0 2 -192,-0.2 -190,-2.4 -191,-0.2 2,-0.2 0.886 82.8 26.0 -72.3 -39.9 15.2 17.6 32.7 203 203 A N S > S- 0 0 2 4,-0.3 3,-0.7 -192,-0.2 -192,-0.1 -0.689 79.3-113.5-128.7 169.1 12.4 15.7 31.0 204 204 A G T 3 S+ 0 0 18 1,-0.2 -169,-0.1 -2,-0.2 -195,-0.1 0.536 107.5 55.9 -84.6 -8.3 11.2 14.6 27.6 205 205 A N T 3 S- 0 0 53 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.213 111.0-108.9-110.6 10.5 8.1 16.8 27.3 206 206 A G S < S+ 0 0 66 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.602 80.8 118.8 73.9 13.4 9.8 20.2 27.9 207 207 A K 0 0 63 -102,-0.0 -4,-0.3 -6,-0.0 -2,-0.2 -0.874 360.0 360.0-112.8 145.2 8.3 20.7 31.3 208 208 A Q 0 0 69 -2,-0.3 -47,-0.1 -6,-0.1 -48,-0.0 -0.928 360.0 360.0-167.9 360.0 10.2 21.1 34.6 209 !* 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 0.0 210 1 B M 0 0 160 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 154.8 11.8 -14.9 66.1 211 2 B S + 0 0 78 25,-0.1 54,-2.4 53,-0.1 2,-0.5 0.715 360.0 60.5 -79.9 -30.2 14.6 -12.7 64.7 212 3 B Y E +E 264 0C 20 24,-0.4 26,-2.4 52,-0.2 2,-0.4 -0.919 61.9 172.4 -98.1 130.8 13.1 -12.1 61.2 213 4 B K E -Ef 263 238C 72 50,-2.1 50,-3.2 -2,-0.5 2,-0.6 -0.994 15.3-161.1-134.5 130.3 9.8 -10.2 61.0 214 5 B L E -Ef 262 239C 0 24,-2.9 26,-2.2 -2,-0.4 2,-0.5 -0.953 8.7-161.8-113.4 116.5 8.2 -9.0 57.8 215 6 B T E +Ef 261 240C 1 46,-3.1 46,-1.9 -2,-0.6 2,-0.3 -0.858 31.2 124.8-103.1 124.2 5.5 -6.3 58.2 216 7 B Y E - f 0 241C 16 24,-2.1 26,-2.6 -2,-0.5 5,-0.0 -0.950 59.6 -72.9-160.2 173.8 3.1 -5.7 55.4 217 8 B F E - f 0 242C 54 -2,-0.3 2,-1.8 24,-0.2 26,-0.2 -0.247 56.4 -94.6 -70.4 167.5 -0.6 -5.6 54.6 218 9 B S S S+ 0 0 63 24,-1.0 2,-0.3 23,-0.1 -1,-0.1 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90.6 522 104 C M H X S+ 0 0 4 -4,-1.7 4,-1.7 3,-0.2 -2,-0.2 0.950 115.5 47.2 -67.5 -47.6 2.2 16.8 91.4 523 105 C I H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.917 123.6 30.2 -59.9 -48.9 4.7 18.1 88.7 524 106 C Y H < S+ 0 0 98 -4,-2.9 -1,-0.2 2,-0.1 -3,-0.2 0.749 131.0 29.6 -88.9 -29.6 3.5 15.9 85.9 525 107 C M H < S+ 0 0 144 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.676 134.8 6.1-105.7 -21.8 -0.2 15.4 86.7 526 108 C A H >X + 0 0 11 -4,-1.7 4,-2.6 -5,-0.5 3,-0.9 -0.003 65.4 143.3-160.2 43.1 -1.4 18.5 88.5 527 109 C Y H 3X S+ 0 0 42 -4,-0.5 4,-1.3 1,-0.2 5,-0.2 0.901 79.2 49.8 -54.2 -44.8 1.1 21.3 88.8 528 110 C E H 34 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.642 124.7 25.1 -78.9 -15.7 -1.4 24.1 88.4 529 111 C T H <4 S+ 0 0 108 -3,-0.9 -1,-0.2 -7,-0.2 -2,-0.2 0.580 127.1 40.2-117.0 -20.2 -3.9 22.9 91.0 530 112 C E H X S+ 0 0 73 -4,-2.6 4,-2.3 -8,-0.2 -3,-0.2 0.559 88.6 85.0-113.4 -10.6 -1.8 20.8 93.4 531 113 C K H X S+ 0 0 63 -4,-1.3 4,-2.7 -5,-0.5 5,-0.2 0.943 94.5 45.5 -56.1 -51.0 1.4 22.8 93.8 532 114 C D H > S+ 0 0 87 -5,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 114.8 44.2 -63.8 -52.9 0.0 25.0 96.6 533 115 C P H >>S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.6 0.842 114.0 54.3 -58.7 -34.1 -1.6 22.3 98.7 534 116 C Y H X>S+ 0 0 12 -4,-2.3 5,-2.9 3,-0.2 4,-1.5 0.968 112.2 41.6 -60.6 -53.6 1.6 20.2 98.2 535 117 C I H <5S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.859 125.5 35.2 -61.2 -37.7 3.8 23.0 99.5 536 118 C K H <5S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.783 132.5 19.1 -89.5 -37.4 1.5 24.0 102.4 537 119 C S H <5S+ 0 0 96 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.570 129.2 29.1-124.6 -10.7 -0.1 20.6 103.6 538 120 C I T X S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.923 109.2 46.8 -59.0 -44.7 6.2 20.2 105.6 541 123 C G H > S+ 0 0 40 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.832 113.7 49.2 -63.4 -36.1 5.1 16.9 107.3 542 124 C E H X S+ 0 0 30 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.888 111.9 47.4 -71.0 -40.1 7.4 14.9 104.9 543 125 C L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.868 105.4 60.2 -67.7 -35.1 10.4 17.2 105.5 544 126 C A H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.866 101.1 55.5 -60.6 -36.1 9.8 17.0 109.3 545 127 C K H X S+ 0 0 48 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.914 110.2 44.1 -62.3 -44.2 10.3 13.2 109.0 546 128 C F H X S+ 0 0 4 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.861 110.0 56.0 -68.3 -36.3 13.7 13.6 107.4 547 129 C E H X S+ 0 0 28 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.907 112.3 42.6 -62.3 -42.9 14.7 16.3 109.9 548 130 C K H < S+ 0 0 157 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.915 116.8 47.0 -68.5 -44.5 14.0 13.9 112.8 549 131 C L H >< S+ 0 0 10 -4,-2.2 3,-1.8 1,-0.2 4,-0.2 0.883 105.1 58.8 -67.6 -39.2 15.6 10.9 111.1 550 132 C L H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 6,-0.4 0.868 97.1 64.2 -59.7 -36.0 18.8 12.9 110.1 551 133 C A T 3< S+ 0 0 37 -4,-1.0 4,-0.5 1,-0.2 -1,-0.3 0.587 81.3 80.2 -65.0 -12.0 19.4 13.7 113.8 552 134 C T T < S+ 0 0 89 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.2 0.668 93.4 47.9 -74.8 -15.4 19.9 9.9 114.7 553 135 C R S X S- 0 0 59 -3,-1.3 3,-1.9 -4,-0.2 5,-0.4 -0.985 133.1 -11.6-130.0 124.2 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1,-0.1 3,-0.4 -0.944 89.4 -90.9-146.9 172.1 28.8 -11.8 93.4 708 81 D E H > S+ 0 0 61 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.858 122.0 51.4 -51.2 -46.0 28.4 -8.1 92.5 709 82 D M H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 111.3 46.5 -64.0 -39.4 26.7 -8.8 89.1 710 83 D E H > S+ 0 0 27 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.898 112.2 51.3 -68.4 -41.8 24.1 -11.2 90.7 711 84 D T H X S+ 0 0 14 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.906 113.5 44.9 -60.1 -43.6 23.4 -8.8 93.5 712 85 D T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.901 112.3 52.9 -66.9 -41.0 22.9 -6.0 91.0 713 86 D Y H X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.934 109.9 44.6 -63.7 -48.9 20.7 -8.2 88.7 714 87 D I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.858 113.4 52.7 -68.2 -33.7 18.2 -9.4 91.4 715 88 D D H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.957 111.6 45.6 -59.3 -54.0 18.0 -5.7 92.6 716 89 D M H X S+ 0 0 5 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.915 115.3 47.8 -56.3 -44.1 17.2 -4.6 89.1 717 90 D F H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 3,-0.2 0.950 112.5 47.8 -63.6 -48.0 14.7 -7.4 88.7 718 91 D C H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.854 108.3 55.2 -65.3 -34.5 13.0 -6.7 92.0 719 92 D E H X S+ 0 0 5 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.866 106.1 52.3 -64.8 -37.0 12.8 -3.0 91.2 720 93 D G H X S+ 0 0 3 -4,-1.7 4,-1.7 -3,-0.2 -2,-0.2 0.901 106.5 53.2 -63.3 -40.6 11.0 -3.9 88.0 721 94 D V H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.905 106.9 52.3 -60.9 -39.9 8.5 -6.0 90.0 722 95 D R H X S+ 0 0 65 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.863 104.4 56.0 -67.0 -35.6 7.9 -3.0 92.2 723 96 D D H X S+ 0 0 44 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.890 108.5 48.1 -60.3 -41.3 7.1 -0.8 89.2 724 97 D L H X S+ 0 0 4 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.913 108.9 53.4 -66.2 -41.0 4.5 -3.4 88.2 725 98 D H H X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.845 105.2 54.9 -63.7 -33.7 3.1 -3.3 91.7 726 99 D V H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 110.0 45.6 -61.2 -46.7 2.8 0.5 91.5 727 100 D K H X S+ 0 0 66 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.922 114.0 50.3 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-36.1 13.7 -14.5 83.5 760 133 D A T 3< S+ 0 0 40 -4,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.618 82.6 80.9 -64.8 -14.7 15.1 -16.4 80.5 761 134 D T T < S+ 0 0 88 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.2 0.607 94.1 45.8 -75.3 -9.6 18.5 -14.8 80.8 762 135 D R S X S- 0 0 63 -3,-1.2 3,-2.1 -4,-0.2 5,-0.3 -0.997 129.9 -9.4-134.9 132.3 19.6 -17.2 83.7 763 136 D G G > S- 0 0 49 -2,-0.4 3,-1.9 1,-0.3 -2,-0.1 0.787 117.4 -73.6 54.0 31.6 19.1 -21.0 83.8 764 137 D N G 3 S- 0 0 121 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.2 0.547 75.5 -81.2 59.0 12.8 17.0 -20.6 80.6 765 138 D G G < S+ 0 0 2 -3,-2.1 -1,-0.3 -6,-0.5 -5,-0.2 0.595 108.1 117.2 70.5 14.5 14.2 -19.1 82.9 766 139 D R S < S+ 0 0 175 -3,-1.9 -2,-0.1 -4,-0.1 -3,-0.1 0.346 78.9 17.4 -99.9 4.9 13.3 -22.7 83.9 767 140 D N S S- 0 0 39 1,-0.4 2,-0.2 -5,-0.3 5,-0.1 0.062 113.8 -26.9-135.3-109.2 14.1 -22.4 87.6 768 141 D L B > -P 771 0H 6 3,-2.4 3,-0.5 -2,-0.1 -1,-0.4 -0.479 69.1 -88.0-111.7-178.8 14.6 -19.3 89.7 769 142 D I T 3 S+ 0 0 0 1,-0.3 5,-0.1 -2,-0.2 3,-0.1 0.888 130.1 33.2 -59.7 -39.1 15.7 -15.7 88.9 770 143 D L T 3 S- 0 0 15 3,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.499 117.9-113.2 -93.1 -6.1 19.4 -16.5 89.4 771 144 D G B < S+P 768 0H 5 -3,-0.5 -3,-2.4 -9,-0.3 -1,-0.2 -0.939 89.5 8.0 113.9-101.5 19.1 -20.1 88.1 772 145 D D S S+ 0 0 135 -2,-0.6 2,-0.4 -5,-0.1 -1,-0.1 0.702 116.8 69.6 -95.7 -19.9 19.6 -22.8 90.7 773 146 D K S S- 0 0 107 -5,-0.1 -3,-0.6 -3,-0.1 -2,-0.1 -0.844 78.1-127.7-104.0 136.1 19.9 -20.6 93.9 774 147 D I - 0 0 26 -2,-0.4 2,-0.3 -5,-0.1 -69,-0.2 -0.377 28.4-176.6 -77.5 149.0 16.9 -18.7 95.4 775 148 D S >> - 0 0 0 -71,-0.1 3,-0.8 -2,-0.1 4,-0.6 -0.895 42.9 -95.9-138.6 171.6 17.2 -15.0 96.1 776 149 D Y H >> S+ 0 0 2 -73,-2.0 4,-1.1 -2,-0.3 3,-0.7 0.833 117.9 64.9 -63.8 -31.2 14.9 -12.4 97.7 777 150 D A H 3> S+ 0 0 0 -74,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.839 89.9 66.6 -62.4 -33.7 13.7 -11.2 94.3 778 151 D D H <> S+ 0 0 0 -3,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.882 99.5 50.7 -54.3 -41.7 12.0 -14.7 93.7 779 152 D Y H < - 0 0 33 -4,-2.5 3,-2.1 -5,-0.1 -1,-0.3 -0.869 67.0-159.3-142.7 98.8 -7.0 -12.2 85.8 793 166 D P T 3 S+ 0 0 90 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.717 93.4 49.0 -54.2 -25.3 -6.7 -16.1 86.0 794 167 D H T > S+ 0 0 124 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.264 76.0 108.6 -96.0 9.2 -5.5 -16.3 82.4 795 168 D C T < S+ 0 0 11 -3,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.773 81.5 45.1 -64.7 -25.2 -2.8 -13.6 82.6 796 169 D L T > S+ 0 0 0 -3,-0.3 3,-1.5 -4,-0.2 7,-0.3 0.376 81.2 102.1 -97.0 4.0 0.2 -16.1 82.4 797 170 D D T < S+ 0 0 99 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.902 88.3 41.3 -51.4 -46.1 -1.3 -18.2 79.6 798 171 D K T 3 S+ 0 0 161 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.477 109.6 65.7 -80.8 -5.2 1.0 -16.5 77.0 799 172 D F <> + 0 0 15 -3,-1.5 4,-2.4 1,-0.1 3,-0.2 -0.703 55.8 171.3-125.4 77.0 4.0 -16.6 79.4 800 173 D P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.797 78.1 53.8 -62.1 -35.3 5.1 -20.2 80.2 801 174 D L H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 113.4 43.6 -64.6 -42.6 8.3 -19.4 82.0 802 175 D L H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 114.3 50.2 -69.3 -39.2 6.4 -17.1 84.4 803 176 D K H X S+ 0 0 106 -4,-2.4 4,-1.8 -7,-0.3 -2,-0.2 0.942 114.2 44.3 -63.1 -46.3 3.5 -19.6 84.8 804 177 D V H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.874 113.1 51.1 -66.5 -41.9 6.0 -22.4 85.6 805 178 D F H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 108.3 52.8 -58.6 -44.1 8.0 -20.2 88.0 806 179 D H H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.900 112.2 44.2 -64.0 -40.7 4.9 -19.3 89.8 807 180 D Q H X S+ 0 0 87 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.881 110.3 56.1 -71.2 -37.2 3.9 -22.9 90.3 808 181 D R H X S+ 0 0 102 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.918 109.6 45.2 -59.9 -47.3 7.5 -23.9 91.3 809 182 D M H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.2 0.918 112.0 52.0 -61.7 -44.6 7.5 -21.3 94.1 810 183 D K H 3< S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.777 105.7 56.9 -64.5 -27.5 4.0 -22.3 95.3 811 184 D D H 3< S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.581 73.9 112.7 -82.6 -12.1 5.2 -26.0 95.4 812 185 D R S XX S- 0 0 75 -3,-1.1 4,-2.7 -4,-0.6 3,-0.5 -0.490 79.6-122.3 -59.5 129.0 8.0 -25.3 97.8 813 186 D P H 3> S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.821 106.5 45.7 -51.7 -44.7 6.8 -27.1 100.9 814 187 D K H 3> S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 117.4 45.2 -69.4 -34.9 6.7 -24.2 103.4 815 188 D L H <> S+ 0 0 0 -3,-0.5 4,-2.9 -6,-0.2 5,-0.2 0.843 108.0 57.5 -74.9 -33.6 5.0 -21.9 100.8 816 189 D K H X S+ 0 0 101 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.955 111.6 41.8 -61.0 -47.7 2.5 -24.6 99.8 817 190 D E H X S+ 0 0 116 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.918 116.1 49.5 -66.2 -43.6 1.3 -24.9 103.4 818 191 D Y H X S+ 0 0 36 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.921 110.7 48.9 -61.5 -45.4 1.4 -21.1 103.9 819 192 D C H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.823 107.4 56.7 -67.3 -31.8 -0.6 -20.3 100.7 820 193 D E H X S+ 0 0 108 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.924 110.8 42.6 -61.1 -45.8 -3.2 -22.9 101.6 821 194 D K H X S+ 0 0 132 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.868 112.7 53.7 -71.7 -34.5 -3.9 -21.2 105.0 822 195 D R H <>S+ 0 0 11 -4,-2.2 5,-1.8 1,-0.2 4,-0.4 0.921 111.6 46.1 -63.4 -42.6 -3.8 -17.8 103.3 823 196 D D H ><5S+ 0 0 73 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.873 109.1 54.5 -67.4 -41.0 -6.4 -19.0 100.8 824 197 D A H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.884 112.7 43.0 -60.3 -39.4 -8.6 -20.6 103.5 825 198 D A T 3<5S- 0 0 71 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.517 103.5-135.6 -82.8 -7.8 -8.7 -17.2 105.4 826 199 D K T < 5 - 0 0 152 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.920 25.2-156.3 46.1 53.8 -9.3 -15.4 102.1 827 200 D V < - 0 0 26 -5,-1.8 -1,-0.2 1,-0.1 -190,-0.1 -0.385 19.6-113.0 -58.8 125.7 -6.7 -12.8 103.2 828 201 D P - 0 0 52 0, 0.0 -190,-1.9 0, 0.0 -1,-0.1 -0.400 15.7-149.2 -63.6 138.2 -7.4 -9.5 101.3 829 202 D V S S+ 0 0 1 -192,-0.2 -190,-2.5 -191,-0.2 2,-0.2 0.898 79.2 27.0 -72.6 -39.5 -4.7 -8.6 98.8 830 203 D N S > S- 0 0 1 4,-0.3 3,-1.0 -192,-0.2 -192,-0.1 -0.697 82.9-109.2-125.4 168.8 -5.4 -4.9 99.3 831 204 D G T 3 S+ 0 0 42 1,-0.2 -169,-0.1 -2,-0.2 -195,-0.1 0.621 113.7 51.9 -75.8 -16.2 -6.7 -2.5 101.9 832 205 D N T 3 S- 0 0 57 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.310 108.6-116.2-103.3 5.9 -9.9 -1.7 100.0 833 206 D G S < S+ 0 0 51 -3,-1.0 2,-0.3 1,-0.3 -4,-0.1 0.360 75.0 125.3 78.9 -5.2 -11.0 -5.4 99.5 834 207 D K 0 0 60 -102,-0.1 -4,-0.3 -6,-0.1 -1,-0.3 -0.655 360.0 360.0 -89.5 142.1 -10.8 -5.2 95.7 835 208 D Q 0 0 66 -2,-0.3 -47,-0.1 -3,-0.1 -48,-0.0 -0.953 360.0 360.0-166.2 360.0 -8.6 -7.7 93.8