==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-JUL-01 1JII . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR X.QIU,C.A.JANSON,W.W.SMITH,R.L.JARVEST . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.2 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 . 2 0.6 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 4 0 2 1 0 0 1 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 T 0 0 140 0, 0.0 27,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 116.6 -13.2 8.1 114.6 2 3 A N > + 0 0 66 25,-0.1 4,-1.5 26,-0.0 26,-0.1 0.209 360.0 121.6 169.1 25.8 -15.5 9.4 111.9 3 4 A V H > S+ 0 0 88 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.926 73.2 53.0 -70.3 -48.0 -14.8 13.2 112.0 4 5 A L H >> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.978 115.4 40.9 -52.2 -57.9 -13.6 13.6 108.4 5 6 A I H 3> S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.849 109.3 63.7 -60.3 -31.4 -16.8 11.9 107.1 6 7 A E H 3X S+ 0 0 103 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.918 111.6 34.0 -59.3 -43.3 -18.7 13.8 109.7 7 8 A D H S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.3 4,-1.9 0.943 113.3 45.7 -45.1 -45.9 -17.7 16.2 104.3 9 10 A K H <5S+ 0 0 111 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.904 111.7 50.6 -60.7 -48.0 -21.2 15.3 105.1 10 11 A W H <5S+ 0 0 85 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.947 113.2 44.5 -58.0 -51.4 -21.8 18.6 107.0 11 12 A R H <5S- 0 0 23 -4,-3.5 -1,-0.2 257,-0.1 258,-0.2 0.775 112.6-119.6 -67.1 -26.4 -20.4 20.7 104.2 12 13 A G T <5 + 0 0 35 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.746 67.0 137.6 91.3 32.8 -22.4 18.8 101.6 13 14 A L < + 0 0 1 -5,-2.2 2,-0.5 -6,-0.2 -4,-0.2 0.241 45.8 86.6 -94.8 13.9 -19.5 17.5 99.5 14 15 A I + 0 0 40 -6,-0.3 206,-0.2 206,-0.2 3,-0.1 -0.842 35.8 159.9-120.0 91.6 -20.8 13.9 99.0 15 16 A Y S S- 0 0 123 204,-2.9 2,-0.2 -2,-0.5 205,-0.2 0.737 75.2 -9.3 -77.2 -32.2 -23.2 13.6 96.0 16 17 A Q E -A 219 0A 44 203,-1.1 203,-1.9 205,-0.0 2,-0.3 -0.853 51.1-163.8-171.4 143.6 -22.6 9.8 95.8 17 18 A Q E -A 218 0A 33 -2,-0.2 3,-0.4 201,-0.2 201,-0.2 -0.870 21.7-140.0-121.2 150.4 -20.5 6.9 97.2 18 19 A T S S+ 0 0 49 199,-1.3 2,-0.5 -2,-0.3 -1,-0.1 0.940 104.0 17.0 -76.0 -50.2 -20.4 3.5 95.5 19 20 A D S > S- 0 0 82 1,-0.2 4,-2.1 198,-0.2 -1,-0.3 -0.815 77.7-170.3-123.1 86.1 -20.5 1.6 98.8 20 21 A E H >> S+ 0 0 126 -2,-0.5 4,-1.8 -3,-0.4 3,-0.9 0.897 84.6 37.5 -40.7 -67.6 -21.7 4.2 101.3 21 22 A Q H 3> S+ 0 0 129 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.862 112.7 54.0 -53.7 -54.5 -21.0 2.1 104.3 22 23 A G H 3> S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.784 107.4 53.1 -53.3 -34.0 -17.7 0.4 103.2 23 24 A I H X S+ 0 0 80 -4,-2.8 3,-1.4 1,-0.2 4,-0.5 0.930 109.5 36.4 -54.5 -67.5 -15.5 1.7 107.2 26 27 A L H >X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.3 3,-0.6 0.801 112.5 61.8 -63.7 -24.7 -11.9 1.9 105.8 27 28 A L H 3< S+ 0 0 13 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.711 110.7 39.0 -73.1 -17.9 -11.9 5.6 106.4 28 29 A N H << S+ 0 0 47 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.381 126.2 40.7-107.4 2.4 -12.3 4.9 110.2 29 30 A K H << S+ 0 0 173 -3,-0.6 2,-0.3 -4,-0.5 -2,-0.2 0.797 116.2 15.0-114.2 -55.8 -9.9 1.9 109.9 30 31 A E S < S- 0 0 69 -4,-2.9 2,-0.8 -5,-0.1 -1,-0.3 -0.961 79.8 -98.4-130.1 151.9 -6.9 2.4 107.7 31 32 A Q - 0 0 147 -2,-0.3 -4,-0.1 -3,-0.1 32,-0.1 -0.564 51.4-144.3 -70.6 105.2 -5.2 5.5 106.2 32 33 A V - 0 0 2 -2,-0.8 33,-1.5 -6,-0.1 2,-0.4 -0.058 9.2-138.2 -67.5 167.1 -6.6 5.5 102.6 33 34 A T E +b 65 0A 16 152,-0.3 154,-1.5 31,-0.2 155,-0.7 -0.872 32.0 174.5-128.7 97.8 -4.9 6.4 99.3 34 35 A L E -bc 66 188A 0 31,-2.0 33,-0.9 -2,-0.4 2,-0.2 -0.799 6.3-171.8-107.6 153.4 -7.3 8.5 97.1 35 36 A Y E -bc 67 189A 4 153,-1.5 155,-1.7 -2,-0.3 2,-0.3 -0.793 11.0-177.9-138.6 172.3 -6.8 10.2 93.8 36 37 A C E +b 68 0A 10 31,-1.2 33,-3.1 -2,-0.2 2,-0.3 -0.975 12.6 178.7-160.6 164.8 -8.3 12.6 91.2 37 38 A G E -b 69 0A 39 153,-0.3 2,-0.3 -2,-0.3 33,-0.2 -0.996 20.4-144.9-167.7 172.8 -7.4 14.1 87.9 38 39 A A E -b 70 0A 23 31,-2.1 33,-1.4 -2,-0.3 37,-0.1 -0.952 25.4-122.8-143.3 153.9 -7.9 16.1 84.8 39 40 A D - 0 0 23 -2,-0.3 2,-3.5 31,-0.3 3,-0.1 -0.851 40.5-111.0 -93.1 138.7 -6.9 15.8 81.2 40 41 A P + 0 0 0 0, 0.0 59,-0.2 0, 0.0 58,-0.1 -0.292 59.6 152.3 -71.1 69.6 -4.9 18.9 80.2 41 42 A T S S+ 0 0 72 -2,-3.5 2,-0.2 57,-0.1 54,-0.0 0.369 73.6 7.9 -81.1 14.8 -7.7 20.2 78.0 42 43 A A S S- 0 0 22 -3,-0.1 60,-0.4 53,-0.1 59,-0.2 -0.892 80.8-105.3-171.1-177.3 -6.2 23.7 78.7 43 44 A D S S+ 0 0 67 -2,-0.2 2,-0.3 58,-0.2 61,-0.1 0.256 98.3 46.7-114.4 16.8 -3.2 25.3 80.4 44 45 A S S S- 0 0 1 57,-0.1 58,-0.2 198,-0.0 -1,-0.1 -0.986 72.2-135.0-154.2 145.3 -5.0 26.5 83.5 45 46 A L - 0 0 3 -2,-0.3 196,-0.6 56,-0.2 2,-0.3 -0.036 28.1-152.3 -83.0-161.2 -7.4 24.9 85.9 46 47 A H B >> -F 240 0B 50 194,-0.3 3,-3.5 195,-0.1 4,-0.9 -0.915 35.7 -82.9-173.9 151.9 -10.4 26.9 87.0 47 48 A I H >> S+ 0 0 0 192,-1.7 4,-1.2 1,-0.3 3,-0.6 0.706 122.6 68.0 -30.5 -39.2 -12.9 27.3 89.9 48 49 A G H 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.882 109.4 33.5 -49.7 -45.7 -14.7 24.4 88.4 49 50 A H H <> S+ 0 0 46 -3,-3.5 4,-1.2 1,-0.2 -1,-0.3 0.545 100.1 80.6 -83.9 -21.0 -11.8 22.1 89.4 50 51 A L H X S+ 0 0 4 -4,-1.2 4,-1.9 1,-0.2 3,-1.9 0.960 105.0 38.0 -54.0 -71.2 -13.6 22.2 94.5 52 53 A P H 3> S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.728 112.3 56.4 -59.4 -23.5 -12.5 18.5 94.3 53 54 A F H 3X S+ 0 0 5 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.783 108.2 50.7 -76.0 -18.8 -8.8 19.1 94.6 54 55 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 3,-1.3 0.953 109.1 50.3 -68.3 -44.5 -8.6 15.8 98.2 57 58 A R H 3< S+ 0 0 35 -4,-1.9 4,-0.5 1,-0.3 -2,-0.2 0.769 104.0 59.5 -63.0 -25.1 -6.7 18.3 100.4 58 59 A R H 3X S+ 0 0 12 -4,-2.0 4,-0.8 2,-0.2 -1,-0.3 0.694 104.6 50.5 -75.4 -21.8 -9.3 17.8 103.2 59 60 A F H XX>S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.7 5,-0.6 0.965 102.1 58.1 -76.5 -58.5 -8.5 14.1 103.3 60 61 A Q H 3<5S+ 0 0 49 -4,-1.7 3,-0.4 1,-0.3 -2,-0.2 0.656 96.8 69.8 -43.3 -20.4 -4.8 14.7 103.5 61 62 A E H 345S+ 0 0 116 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.993 100.2 41.5 -61.5 -59.8 -5.7 16.6 106.6 62 63 A H H <<5S- 0 0 79 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.404 133.3 -78.5 -72.7 -0.1 -6.8 13.5 108.6 63 64 A G T <5S+ 0 0 31 -4,-0.6 -3,-0.2 -3,-0.4 -1,-0.1 0.121 89.0 124.7 128.2 -25.1 -3.9 11.3 107.5 64 65 A H < - 0 0 15 -5,-0.6 -1,-0.3 -6,-0.1 -31,-0.2 -0.021 53.3-123.3 -66.1 168.6 -4.9 10.1 104.0 65 66 A R E -b 33 0A 66 -33,-1.5 -31,-2.0 52,-0.1 2,-0.3 -0.940 17.9-158.3-119.2 131.7 -2.8 10.4 100.8 66 67 A P E -b 34 0A 0 0, 0.0 53,-1.1 0, 0.0 2,-0.3 -0.726 2.2-162.5-106.1 165.4 -3.9 12.1 97.6 67 68 A I E -bd 35 119A 0 -33,-0.9 -31,-1.2 -2,-0.3 2,-0.5 -0.941 10.1-143.6-138.6 152.1 -2.6 11.5 94.2 68 69 A V E -bd 36 120A 1 51,-2.9 53,-1.7 -2,-0.3 2,-0.7 -0.965 7.8-163.9-125.9 114.3 -3.1 13.8 91.1 69 70 A L E -bd 37 121A 12 -33,-3.1 -31,-2.1 -2,-0.5 2,-0.3 -0.877 6.8-163.9-100.7 113.5 -3.5 12.3 87.7 70 71 A I E -bd 38 122A 9 51,-1.6 2,-1.2 -2,-0.7 53,-1.0 -0.736 36.8-103.2 -87.4 152.0 -2.9 14.9 85.0 71 72 A G > + 0 0 1 -33,-1.4 4,-2.6 -2,-0.3 5,-0.4 -0.035 61.9 149.2 -76.3 39.8 -4.3 13.8 81.6 72 73 A G T 4 S+ 0 0 0 -2,-1.2 -1,-0.2 1,-0.2 4,-0.1 0.660 84.7 9.1 -43.0 -26.6 -1.1 12.8 79.9 73 74 A G T 4 S+ 0 0 12 -3,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.705 132.6 46.0-123.8 -46.3 -2.8 10.2 77.8 74 75 A T T >> S+ 0 0 4 2,-0.2 4,-1.9 -4,-0.2 3,-0.5 0.652 102.6 74.1 -73.0 -16.6 -6.6 10.5 78.2 75 76 A G G >< S+ 0 0 7 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.994 91.5 51.1 -55.3 -68.7 -5.9 14.2 77.6 76 77 A M G 34 S+ 0 0 57 -5,-0.4 14,-0.4 1,-0.3 -1,-0.2 0.603 114.3 46.9 -43.1 -18.9 -5.3 13.8 73.9 77 78 A I G <4 S- 0 0 39 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.781 98.3-138.1 -99.1 -35.5 -8.6 11.8 73.6 78 79 A G << - 0 0 4 -4,-1.9 9,-0.2 -3,-1.2 91,-0.1 0.736 13.6-106.4 79.5 122.0 -11.2 13.9 75.5 79 80 A D - 0 0 5 1,-0.2 4,-0.4 90,-0.1 -1,-0.1 -0.631 21.1-159.2 -84.1 102.0 -13.9 12.7 77.9 80 81 A P + 0 0 3 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.581 48.6 134.4 -52.4 -13.5 -17.2 13.0 76.1 81 82 A S S S- 0 0 8 1,-0.2 2,-2.4 85,-0.1 3,-0.1 -0.121 81.8 -4.4 -44.6 130.9 -18.8 12.9 79.5 82 83 A G S S+ 0 0 61 1,-0.2 -1,-0.2 70,-0.1 113,-0.0 -0.317 109.5 112.6 79.1 -54.7 -21.4 15.7 79.7 83 84 A K - 0 0 77 -2,-2.4 74,-0.2 -4,-0.4 -1,-0.2 0.089 49.8-163.9 -47.5 160.0 -20.5 16.9 76.2 84 85 A S S S+ 0 0 70 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.184 71.1 57.5-143.5 43.3 -23.1 16.5 73.5 85 86 A E S S- 0 0 164 -5,-0.1 -1,-0.2 0, 0.0 72,-0.1 -0.850 97.4 -93.8-169.8 129.9 -20.9 17.1 70.4 86 87 A E - 0 0 89 -2,-0.3 -2,-0.1 75,-0.2 -8,-0.0 -0.083 46.1-112.7 -52.3 156.1 -17.8 15.0 69.6 87 88 A R - 0 0 43 -10,-0.2 2,-0.2 -9,-0.2 -9,-0.1 0.481 17.6-122.7 -69.0-148.9 -14.4 16.3 70.8 88 89 A V - 0 0 111 -11,-0.1 -10,-0.0 -12,-0.1 -11,-0.0 -0.607 25.3-120.7-168.5 100.4 -11.4 17.7 68.8 89 90 A L - 0 0 116 -2,-0.2 2,-0.2 -12,-0.1 -12,-0.1 -0.068 27.1-140.1 -43.0 138.4 -8.0 16.1 69.2 90 91 A Q - 0 0 46 -14,-0.4 2,-0.3 -15,-0.1 -1,-0.1 -0.585 28.6 -93.0 -94.5 175.7 -5.4 18.6 70.5 91 92 A T > - 0 0 78 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.701 28.0-118.1 -94.4 138.8 -1.8 18.6 69.1 92 93 A E H > S+ 0 0 149 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.831 119.2 49.9 -38.9 -44.7 0.9 16.6 70.9 93 94 A E H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.974 109.4 51.2 -60.2 -55.7 2.7 20.0 71.5 94 95 A Q H >> S+ 0 0 102 2,-0.2 4,-4.0 1,-0.2 3,-0.8 0.937 113.9 42.1 -48.8 -58.0 -0.5 21.6 72.8 95 96 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.964 113.4 53.1 -56.7 -45.7 -1.1 18.8 75.3 96 97 A D H 3< S+ 0 0 56 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.783 117.2 39.6 -60.6 -23.9 2.6 18.7 76.2 97 98 A K H XX S+ 0 0 89 -4,-2.3 3,-1.9 -3,-0.8 4,-0.9 0.893 111.9 56.2 -87.2 -46.6 2.3 22.5 76.8 98 99 A N H >X S+ 0 0 20 -4,-4.0 4,-2.9 1,-0.3 3,-1.0 0.858 102.4 54.8 -50.5 -49.5 -1.2 22.3 78.5 99 100 A I H 3X S+ 0 0 24 -4,-2.6 4,-0.9 1,-0.3 -1,-0.3 0.483 101.7 61.0 -65.4 -8.6 -0.0 19.8 81.2 100 101 A E H <> S+ 0 0 113 -3,-1.9 4,-0.8 -5,-0.3 -1,-0.3 0.721 111.2 38.7 -87.1 -29.2 2.8 22.3 82.1 101 102 A G H X S+ 0 0 16 -4,-1.2 3,-2.6 -3,-0.4 4,-1.5 0.924 106.5 53.9 -85.7 -56.6 -0.9 24.9 89.5 106 107 A M H >X S+ 0 0 3 -4,-1.4 4,-3.0 1,-0.3 3,-2.0 0.959 99.1 68.3 -44.0 -51.0 -1.5 21.6 91.4 107 108 A H H 3< S+ 0 0 102 -4,-2.1 -1,-0.3 1,-0.3 5,-0.2 0.443 106.6 41.0 -50.8 -0.5 2.1 21.9 92.5 108 109 A N H <4 S+ 0 0 111 -3,-2.6 -1,-0.3 -2,-0.2 -2,-0.2 0.585 112.7 49.8-117.0 -36.0 1.0 24.8 94.6 109 110 A I H << S+ 0 0 10 -3,-2.0 2,-0.3 -4,-1.5 -2,-0.2 0.795 121.6 38.1 -72.5 -28.5 -2.3 23.4 95.8 110 111 A F S < S- 0 0 2 -4,-3.0 2,-0.9 -5,-0.3 -1,-0.0 -0.844 81.0-125.7-121.1 159.0 -0.4 20.3 96.9 111 112 A E - 0 0 96 -2,-0.3 3,-0.4 -3,-0.0 2,-0.2 -0.747 35.3-178.3-105.6 85.5 3.0 19.7 98.4 112 113 A F + 0 0 36 -2,-0.9 7,-0.1 -5,-0.2 6,-0.1 -0.523 54.1 61.3 -80.8 156.9 4.8 17.2 96.1 113 114 A G S S+ 0 0 82 5,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.574 70.0 129.7 104.0 15.4 8.3 15.9 96.9 114 115 A T - 0 0 70 3,-0.6 3,-0.3 -3,-0.4 -1,-0.3 -0.449 67.7-117.3 -94.1 171.0 7.7 14.2 100.2 115 116 A D S S+ 0 0 152 1,-0.2 -1,-0.1 -2,-0.1 2,-0.1 0.784 105.5 11.4 -78.9 -29.9 8.8 10.7 101.2 116 117 A H S S+ 0 0 158 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.515 107.0 68.3-151.7 78.6 5.1 9.6 101.7 117 118 A G S S+ 0 0 7 -3,-0.3 -3,-0.6 1,-0.3 -4,-0.3 -0.706 80.9 5.1 168.3 135.6 2.3 11.8 100.5 118 119 A A - 0 0 4 -52,-0.3 -5,-0.5 -2,-0.2 2,-0.4 0.870 56.8-161.0 51.0 113.1 0.7 13.2 97.4 119 120 A V E -d 67 0A 41 -53,-1.1 -51,-2.9 -7,-0.1 2,-0.8 -0.961 14.0-145.2-122.2 142.9 2.0 11.9 94.1 120 121 A L E -d 68 0A 57 -2,-0.4 2,-0.3 -53,-0.2 -51,-0.2 -0.936 26.7-175.3-104.0 102.0 1.5 13.5 90.8 121 122 A V E -d 69 0A 25 -53,-1.7 -51,-1.6 -2,-0.8 2,-0.5 -0.715 16.1-149.7 -96.0 153.4 1.2 10.6 88.3 122 123 A N E > -d 70 0A 41 -2,-0.3 3,-2.6 -53,-0.2 4,-0.2 -0.936 6.2-151.3-124.0 106.5 1.0 11.1 84.5 123 124 A N T 3> S+ 0 0 1 -53,-1.0 4,-1.6 -2,-0.5 3,-0.3 0.456 88.5 83.2 -63.0 6.7 -1.1 8.5 82.9 124 125 A R H 3> S+ 0 0 77 1,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.918 82.0 67.3 -72.0 -32.9 1.0 9.0 79.8 125 126 A D H <4 S+ 0 0 114 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.726 114.8 19.5 -58.2 -33.2 3.4 6.7 81.5 126 127 A W H >> S+ 0 0 35 -3,-0.3 4,-1.2 -4,-0.2 3,-1.1 0.763 122.3 54.9-107.3 -35.8 1.3 3.5 81.4 127 128 A L H 3< S+ 0 0 31 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.695 100.3 64.4 -71.0 -16.9 -1.2 4.2 78.7 128 129 A G T 3< S+ 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -3,-0.1 0.731 103.7 48.5 -76.6 -20.2 1.8 5.0 76.4 129 130 A Q T <4 S+ 0 0 154 -3,-1.1 -2,-0.2 -5,-0.2 -1,-0.1 0.976 84.7 90.5 -80.0 -68.9 2.9 1.3 76.7 130 131 A I < - 0 0 39 -4,-1.2 2,-0.1 1,-0.1 -4,-0.0 0.008 65.6-149.6 -37.2 125.5 -0.3 -0.8 76.0 131 132 A S > - 0 0 67 1,-0.0 4,-1.9 0, 0.0 5,-0.2 -0.238 27.3 -95.7 -94.4-178.0 -0.7 -1.7 72.3 132 133 A L H > S+ 0 0 116 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.945 123.4 39.0 -63.9 -50.3 -3.6 -2.3 70.0 133 134 A I H > S+ 0 0 100 2,-0.2 4,-2.2 3,-0.1 3,-0.2 0.980 117.3 47.3 -66.3 -56.7 -3.4 -6.0 70.4 134 135 A S H >> S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.949 108.4 56.8 -46.0 -64.3 -2.6 -6.1 74.1 135 136 A F H 3X>S+ 0 0 36 -4,-1.9 5,-3.2 1,-0.3 4,-1.6 0.772 109.3 44.5 -33.8 -57.9 -5.3 -3.6 74.9 136 137 A L H 3<>S+ 0 0 88 -4,-1.7 5,-1.7 3,-0.2 -1,-0.3 0.932 120.3 41.2 -56.7 -51.7 -8.1 -5.8 73.3 137 138 A R H <5S+ 0 0 60 -4,-1.6 3,-1.2 -5,-0.5 -3,-0.2 0.787 121.7 61.5-110.4 -44.9 -8.5 -5.4 79.1 140 141 A G G >4> - 0 0 45 -2,-0.5 4,-1.3 1,-0.1 3,-0.9 -0.362 13.5-138.8 -68.4 142.5 -18.9 -5.6 77.7 145 146 A V H 3> S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.905 103.1 63.3 -68.2 -31.6 -20.4 -3.5 75.0 146 147 A N H 34 S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.698 101.4 50.1 -65.3 -18.3 -23.7 -3.7 76.9 147 148 A Y H X> S+ 0 0 67 -3,-0.9 3,-1.0 2,-0.1 4,-0.8 0.906 107.1 54.5 -82.4 -45.4 -22.3 -1.9 79.9 148 149 A M H >< S+ 0 0 8 -4,-1.3 3,-1.4 1,-0.3 7,-0.2 0.921 104.6 49.8 -57.1 -53.0 -20.8 1.0 77.9 149 150 A L T 3< S+ 0 0 66 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.619 103.3 68.9 -63.3 -7.1 -24.0 2.0 76.1 150 151 A G T <4 S+ 0 0 44 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.3 0.909 74.9 107.3 -73.1 -39.3 -25.2 1.8 79.7 151 152 A K > S+ 0 0 14 2,-0.1 3,-1.6 3,-0.1 4,-0.5 0.873 114.3 29.0 -67.9 -84.9 -22.4 10.0 79.4 154 155 A I H 3> S+ 0 0 0 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.649 99.7 82.3 -44.9 -36.5 -22.5 8.3 76.0 155 156 A Q H 3X S+ 0 0 91 -4,-2.9 4,-0.8 1,-0.2 -1,-0.3 0.868 100.8 43.7 -35.4 -46.0 -26.2 7.3 76.1 156 157 A S H X> S+ 0 0 34 -3,-1.6 3,-2.4 -4,-0.4 4,-0.7 0.976 111.9 47.8 -62.3 -68.3 -26.7 10.9 74.9 157 158 A R H >X S+ 0 0 3 -4,-0.5 4,-3.0 1,-0.3 3,-1.9 0.881 98.0 71.3 -46.2 -47.0 -24.0 11.1 72.4 158 159 A L H 3< S+ 0 0 76 -4,-3.7 -1,-0.3 1,-0.3 4,-0.3 0.816 97.6 54.2 -38.1 -39.7 -25.2 7.8 71.0 159 160 A E H << S+ 0 0 168 -3,-2.4 -1,-0.3 -4,-0.8 -2,-0.2 0.796 115.3 33.9 -65.8 -41.3 -28.2 9.8 69.7 160 161 A H H << S- 0 0 159 -3,-1.9 -1,-0.2 -4,-0.7 -2,-0.2 0.680 132.7 -82.0 -85.3 -27.4 -26.2 12.5 67.8 161 162 A G < - 0 0 47 -4,-3.0 2,-0.6 -5,-0.2 -75,-0.2 0.384 41.4-144.2 121.8 108.1 -23.5 10.0 66.8 162 163 A I - 0 0 27 -4,-0.3 -4,-0.0 -77,-0.1 -1,-0.0 -0.904 15.6-134.5-106.0 116.8 -20.6 8.9 69.1 163 164 A S > - 0 0 37 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.096 25.3-111.2 -58.8 160.8 -17.3 8.2 67.5 164 165 A Y H > S+ 0 0 171 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.978 112.5 56.0 -62.6 -51.8 -15.4 5.1 68.5 165 166 A T H >> S+ 0 0 71 2,-0.3 4,-0.8 1,-0.2 3,-0.7 0.879 106.9 45.7 -51.3 -50.5 -12.7 7.0 70.4 166 167 A E H >> S+ 0 0 2 1,-0.3 3,-2.7 2,-0.2 4,-0.5 0.989 114.1 55.7 -54.6 -50.0 -14.9 9.0 72.8 167 168 A F H 3< S+ 0 0 28 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.3 0.754 107.8 44.1 -51.2 -35.8 -16.6 5.6 73.2 168 169 A T H XX S+ 0 0 22 -4,-1.7 4,-1.3 -3,-0.7 3,-0.6 0.444 89.0 93.4 -92.7 6.3 -13.4 3.8 74.2 169 170 A Y H XX S+ 0 0 5 -3,-2.7 4,-2.1 -4,-0.8 3,-0.6 0.945 79.2 57.7 -56.9 -53.4 -12.4 6.7 76.6 170 171 A T H 3X S+ 0 0 2 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.745 101.6 54.6 -48.1 -35.2 -14.0 5.0 79.5 171 172 A I H <> S+ 0 0 18 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.920 108.4 49.4 -71.1 -37.2 -11.9 1.9 79.1 172 173 A L H S+ 0 0 1 -4,-2.3 4,-2.9 -3,-0.4 5,-2.3 0.956 112.3 59.7 -76.0 -48.9 -3.2 2.9 90.8 181 182 A N H <5S+ 0 0 10 -4,-3.4 -2,-0.2 4,-0.3 -1,-0.2 0.712 122.6 27.5 -47.0 -24.1 -5.4 0.6 92.9 182 183 A R H <5S+ 0 0 134 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.791 126.4 44.0-105.1 -47.3 -2.7 -1.9 92.2 183 184 A E H <5S+ 0 0 119 -4,-3.8 -3,-0.2 -5,-0.3 -2,-0.2 0.888 136.3 7.9 -67.6 -45.3 0.4 0.3 91.7 184 185 A L T <5S- 0 0 43 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.483 106.3-102.1-114.2 -14.2 -0.1 2.7 94.6 185 186 A N < + 0 0 93 -5,-2.3 -152,-0.3 1,-0.2 -4,-0.3 0.576 49.9 179.5 99.1 19.8 -3.0 1.2 96.5 186 187 A C + 0 0 0 -6,-0.7 -1,-0.2 1,-0.2 -152,-0.2 -0.261 13.4 161.4 -58.0 118.7 -5.7 3.6 95.3 187 188 A K + 0 0 37 -154,-1.5 29,-3.6 1,-0.3 2,-0.4 0.697 62.4 40.9-110.1 -29.4 -9.0 2.5 97.0 188 189 A I E -ce 34 216A 0 -155,-0.7 -153,-1.5 27,-0.2 2,-0.5 -0.961 60.0-166.5-122.8 138.7 -11.1 5.7 96.5 189 190 A Q E -ce 35 217A 10 27,-1.3 29,-1.5 -2,-0.4 2,-0.4 -0.973 12.6-158.0-126.3 115.2 -11.3 7.9 93.5 190 191 A V E + e 0 218A 2 -155,-1.7 2,-0.3 -2,-0.5 -153,-0.3 -0.750 26.2 139.0 -96.6 136.5 -13.0 11.3 94.0 191 192 A G E - e 0 219A 4 27,-1.6 29,-0.8 -2,-0.4 4,-0.1 -0.991 48.3 -72.3-167.5 167.0 -14.5 13.3 91.2 192 193 A G E > - e 0 220A 17 -2,-0.3 3,-2.8 27,-0.2 30,-0.1 -0.099 50.2-101.8 -63.2 164.4 -17.3 15.4 90.0 193 194 A S G > S+ 0 0 42 27,-0.5 3,-1.4 1,-0.3 4,-0.3 0.752 123.9 67.2 -58.2 -22.8 -20.8 14.2 89.2 194 195 A D G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.480 99.5 55.3 -74.9 -2.2 -19.7 14.4 85.5 195 196 A Q G <> S+ 0 0 31 -3,-2.8 4,-2.8 2,-0.1 -1,-0.3 0.276 73.5 99.1-114.3 10.6 -17.4 11.6 86.6 196 197 A W H <> S+ 0 0 77 -3,-1.4 4,-3.0 2,-0.2 5,-0.3 0.982 83.7 51.3 -60.6 -57.9 -19.9 9.0 88.0 197 198 A G H > S+ 0 0 14 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.927 116.2 39.4 -41.9 -63.3 -19.9 7.0 84.8 198 199 A N H > S+ 0 0 1 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.833 115.0 53.3 -58.0 -40.6 -16.1 6.7 84.6 199 200 A I H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 3,-0.4 0.979 111.6 45.3 -58.9 -53.4 -15.7 6.3 88.4 200 201 A T H X S+ 0 0 34 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.785 110.8 54.1 -62.4 -32.1 -18.2 3.4 88.4 201 202 A S H X S+ 0 0 6 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.857 102.2 56.6 -73.6 -35.9 -16.6 1.8 85.4 202 203 A G H X S+ 0 0 1 -4,-2.0 4,-1.5 -3,-0.4 -1,-0.2 0.901 109.2 47.5 -62.3 -37.3 -13.1 1.7 86.8 203 204 A I H < S+ 0 0 14 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.840 110.2 51.4 -75.2 -29.6 -14.4 -0.3 89.8 204 205 A E H >X S+ 0 0 60 -4,-1.3 4,-1.4 2,-0.2 3,-1.2 0.930 105.3 55.8 -72.7 -43.2 -16.4 -2.7 87.6 205 206 A L H >X S+ 0 0 13 -4,-2.4 3,-0.9 1,-0.3 4,-0.9 0.952 107.7 47.1 -52.6 -56.4 -13.4 -3.6 85.4 206 207 A M H 3X>S+ 0 0 1 -4,-1.5 4,-1.4 1,-0.2 5,-1.3 0.665 102.0 68.7 -64.6 -8.3 -11.2 -4.6 88.3 207 208 A R H <45S+ 0 0 102 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.925 113.0 27.7 -76.3 -38.9 -14.1 -6.6 89.6 208 209 A R H <<5S+ 0 0 110 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.368 117.1 61.3-100.5 2.9 -13.8 -9.1 86.7 209 210 A M H <5S- 0 0 43 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.698 142.3 -25.2 -92.7 -29.0 -10.1 -8.5 86.3 210 211 A Y T <5S- 0 0 108 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.324 102.4 -80.6-157.7 -9.0 -9.3 -9.8 89.8 211 212 A G S - 0 0 138 -2,-0.4 3,-2.3 1,-0.1 -6,-0.1 0.185 50.9-134.2 -18.3 73.3 -23.5 28.7 85.2 231 232 A F T 3 S+ 0 0 33 1,-0.3 -1,-0.1 -8,-0.2 3,-0.1 0.113 88.3 37.1 -37.9 144.1 -21.1 29.0 88.1 232 233 A G T 3 S+ 0 0 10 1,-0.2 7,-2.3 -3,-0.1 -1,-0.3 0.033 94.2 111.8 96.0 -28.9 -17.6 29.4 87.0 233 234 A K B < +G 238 0C 151 -3,-2.3 5,-0.3 5,-0.3 2,-0.3 -0.594 31.1 161.1 -88.6 144.5 -18.5 31.7 83.9 234 235 A S - 0 0 39 3,-2.5 0, 0.0 -2,-0.2 0, 0.0 -0.903 60.6-100.7-146.1 161.6 -17.8 35.4 83.3 235 236 A E S S+ 0 0 216 1,-0.3 2,-2.0 -2,-0.3 3,-0.1 0.880 131.2 68.5 -57.3 -26.8 -17.7 37.4 80.1 236 237 A S S S- 0 0 60 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.2 -0.723 123.1-115.8 -85.5 78.9 -14.1 36.6 80.9 237 238 A G S S- 0 0 40 -2,-2.0 -3,-2.5 -4,-0.2 2,-0.3 0.246 71.9 -20.7 24.0 -90.3 -15.1 33.0 80.1 238 239 A A B S-G 233 0C 25 -5,-0.3 2,-1.8 -3,-0.1 -5,-0.3 -0.979 82.7 -86.7-141.7 147.3 -14.7 31.1 83.4 239 240 A V - 0 0 7 -7,-2.3 -192,-1.7 -2,-0.3 2,-0.2 -0.276 48.2-158.7 -63.5 82.4 -12.6 32.1 86.4 240 241 A W B -F 46 0B 61 -2,-1.8 2,-0.4 5,-0.2 -194,-0.3 -0.397 18.9-134.3 -62.3 130.3 -9.2 30.6 85.5 241 242 A L S S+ 0 0 16 -196,-0.6 2,-0.5 -2,-0.2 -1,-0.2 0.198 77.2 104.8 -71.1 21.5 -6.9 30.0 88.5 242 243 A D S >> S- 0 0 23 -2,-0.4 4,-3.6 -197,-0.2 3,-1.0 -0.927 72.9-137.6-108.0 130.8 -4.1 31.6 86.4 243 244 A A T 34 S+ 0 0 43 -2,-0.5 4,-0.1 1,-0.3 6,-0.1 0.610 104.1 49.1 -55.5 -18.7 -3.0 35.1 87.3 244 245 A E T 34 S+ 0 0 163 2,-0.2 -1,-0.3 3,-0.1 -3,-0.1 -0.429 119.9 33.5-120.4 50.0 -2.8 36.0 83.6 245 246 A K T <4 S+ 0 0 72 -3,-1.0 2,-0.3 -5,-0.2 -5,-0.2 0.018 142.6 10.3-165.3 -35.6 -6.2 34.7 82.6 246 247 A T S < S- 0 0 4 -4,-3.6 -2,-0.2 -6,-0.1 -7,-0.0 -0.813 86.3-151.4-160.7 104.8 -7.9 35.5 85.8 247 248 A S > - 0 0 25 -2,-0.3 4,-4.0 -4,-0.1 3,-0.3 -0.400 32.0 -99.8 -80.8 155.5 -5.9 37.7 88.2 248 249 A P H > S+ 0 0 27 0, 0.0 4,-3.8 0, 0.0 5,-0.1 0.845 124.8 47.9 -40.8 -45.7 -5.9 38.0 92.0 249 250 A Y H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.909 116.7 38.4 -60.4 -56.5 -8.1 41.2 91.6 250 251 A E H > S+ 0 0 91 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.840 120.9 49.9 -64.4 -33.9 -10.6 39.7 89.2 251 252 A F H >X S+ 0 0 0 -4,-4.0 3,-1.4 2,-0.2 4,-0.9 0.990 109.3 51.0 -63.2 -74.4 -10.4 36.5 91.2 252 253 A Y H >X S+ 0 0 15 -4,-3.8 4,-1.9 1,-0.3 3,-1.8 0.761 108.2 48.9 -21.9 -78.9 -10.9 38.3 94.5 253 254 A Q H 3X S+ 0 0 23 -4,-2.1 4,-3.0 1,-0.3 -1,-0.3 0.790 100.1 67.5 -39.9 -44.5 -14.1 40.2 93.5 254 255 A F H << S+ 0 0 33 -3,-1.4 -1,-0.3 -4,-1.3 -2,-0.2 0.891 110.3 34.9 -42.7 -54.1 -15.6 37.1 92.2 255 256 A W H X< S+ 0 0 0 -3,-1.8 3,-1.5 -4,-0.9 -1,-0.3 0.871 114.5 59.1 -71.8 -37.0 -15.8 35.7 95.7 256 257 A I H 3< S+ 0 0 15 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.792 103.0 53.0 -66.3 -23.5 -16.5 39.2 97.1 257 258 A N T 3< S+ 0 0 92 -4,-3.0 2,-1.2 -5,-0.2 -1,-0.3 0.064 76.1 146.9-101.7 29.7 -19.6 39.6 95.1 258 259 A Q < - 0 0 3 -3,-1.5 37,-0.1 37,-0.2 -3,-0.1 -0.504 62.1-108.2 -74.5 97.7 -21.1 36.3 96.2 259 260 A S > - 0 0 49 -2,-1.2 3,-0.8 1,-0.2 -1,-0.1 0.117 30.3-124.8 -27.1 84.4 -24.8 36.6 96.4 260 261 A D G > S+ 0 0 64 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.464 105.6 60.8 2.2 -50.6 -25.3 36.7 100.2 261 262 A E G > S+ 0 0 143 1,-0.3 2,-3.0 2,-0.1 3,-0.5 0.993 105.5 42.1 -55.1 -75.5 -27.8 33.8 99.8 262 263 A D G < S+ 0 0 3 -3,-0.8 4,-0.4 1,-0.2 -1,-0.3 -0.085 97.8 97.0 -71.6 50.4 -25.4 31.1 98.3 263 264 A V G <> S+ 0 0 0 -2,-3.0 4,-1.7 -3,-0.8 -1,-0.2 0.916 70.3 46.0-102.9 -67.6 -22.7 32.2 100.7 264 265 A I H X> S+ 0 0 10 -3,-0.5 4,-2.7 -4,-0.5 3,-0.7 0.913 113.6 57.0 -46.0 -45.7 -22.3 30.2 103.9 265 266 A K H >> S+ 0 0 81 -4,-0.3 4,-2.3 1,-0.3 3,-0.8 0.964 107.1 45.5 -48.4 -65.2 -22.5 27.2 101.6 266 267 A F H 3> S+ 0 0 0 -4,-0.4 4,-1.6 1,-0.3 -1,-0.3 0.701 110.0 56.8 -54.4 -21.3 -19.5 28.4 99.5 267 268 A L H - 0 0 27 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.080 25.6-109.4 -79.1-179.9 -14.5 25.4 111.4 275 276 A K H > S+ 0 0 98 2,-0.2 4,-2.4 3,-0.2 -1,-0.1 0.751 124.6 49.8 -77.2 -28.8 -18.2 25.0 111.9 276 277 A E H > S+ 0 0 119 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.990 110.2 46.7 -72.5 -51.0 -17.8 27.3 114.8 277 278 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.837 119.0 43.5 -53.4 -41.7 -15.8 30.0 112.8 278 279 A I H < S+ 0 0 0 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.958 109.1 56.3 -69.7 -50.5 -18.4 29.7 110.0 279 280 A D H >X S+ 0 0 57 -4,-2.4 3,-1.5 1,-0.3 4,-1.4 0.901 112.9 41.5 -47.4 -49.4 -21.4 29.6 112.4 280 281 A R H >X S+ 0 0 144 -4,-2.7 4,-2.2 1,-0.3 3,-0.6 0.937 113.0 55.4 -59.1 -50.0 -20.2 33.0 113.9 281 282 A L H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.372 104.1 55.3 -63.7 -4.7 -19.5 34.0 110.3 282 283 A E H <> S+ 0 0 76 -3,-1.5 4,-3.2 -4,-0.4 -1,-0.3 0.763 106.7 47.8 -97.4 -35.1 -23.1 33.2 109.6 283 284 A Q H S+ 0 0 105 -4,-1.4 4,-2.2 -3,-0.6 5,-0.6 0.986 105.8 57.4 -63.7 -59.3 -24.6 35.5 112.3 284 285 A S H X5S+ 0 0 17 -4,-2.2 4,-0.7 1,-0.3 9,-0.3 0.771 115.8 40.1 -42.0 -30.8 -22.4 38.3 111.2 285 286 A K H 45S+ 0 0 53 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.3 0.896 109.4 57.6 -88.2 -43.3 -24.1 37.7 107.9 286 287 A N H <5S+ 0 0 79 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.693 128.6 8.7 -62.7 -23.6 -27.6 37.1 109.2 287 288 A E H <5S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.1 -3,-0.2 0.431 128.3 48.4-138.8 -0.3 -28.0 40.4 111.0 288 289 A A ><< + 0 0 24 -4,-0.7 3,-1.7 -5,-0.6 4,-0.5 -0.154 60.1 148.3-134.9 44.8 -25.0 42.7 110.1 289 290 A P G > + 0 0 64 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.662 59.7 75.9 -55.5 -22.3 -24.9 42.4 106.2 290 291 A H G 3 S+ 0 0 151 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.944 93.6 51.7 -57.4 -40.9 -23.7 45.9 105.8 291 292 A L G < S- 0 0 86 -3,-1.7 -1,-0.3 -7,-0.2 -6,-0.1 0.745 92.4-153.8 -67.4 -20.9 -20.3 44.8 106.9 292 293 A R < + 0 0 114 -3,-0.8 4,-0.2 -4,-0.5 -7,-0.1 0.841 34.2 157.6 44.7 45.8 -20.4 42.0 104.3 293 294 A E >> + 0 0 55 -5,-0.3 4,-2.9 -9,-0.3 3,-0.6 0.883 63.8 51.2 -64.9 -44.6 -18.0 39.9 106.5 294 295 A A H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.992 110.6 46.2 -54.8 -73.4 -18.9 36.5 105.1 295 296 A Q H 3> S+ 0 0 6 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.540 117.5 51.1 -46.7 -9.0 -18.5 37.3 101.4 296 297 A K H <> S+ 0 0 72 -3,-0.6 4,-2.0 -4,-0.2 -1,-0.3 0.830 107.8 43.1 -99.4 -48.9 -15.3 39.0 102.5 297 298 A T H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.3 3,-1.2 0.970 109.6 38.2 -61.3 -79.9 -14.6 33.9 101.8 299 300 A A H 3X S+ 0 0 0 -4,-0.6 4,-2.2 1,-0.3 5,-0.3 0.778 113.4 59.1 -39.9 -42.5 -12.8 35.8 99.0 300 301 A E H 3X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.955 110.1 41.3 -53.9 -53.2 -9.9 36.5 101.4 301 302 A E H S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.3 4,-1.6 0.830 113.1 46.1 -81.7 -43.5 -7.5 34.3 97.1 304 305 A K H X5S+ 0 0 56 -4,-2.5 4,-1.4 -3,-0.4 -2,-0.2 0.997 120.5 43.3 -60.5 -58.7 -4.7 34.2 99.6 305 306 A F H <5S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.898 122.1 34.8 -46.5 -69.5 -4.7 30.3 99.2 306 307 A I H <5S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.905 139.0 16.2 -58.0 -45.8 -5.0 30.1 95.4 307 308 A H H <5S- 0 0 38 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.888 111.8 -84.2-101.6 -49.9 -2.9 33.1 94.7 308 309 A G << - 0 0 21 -5,-1.7 -1,-0.2 -4,-1.4 5,-0.1 -0.672 20.7-103.1 153.1 156.6 -0.9 34.3 97.7 309 310 A E S >> S+ 0 0 129 2,-0.2 4,-2.0 -2,-0.2 3,-1.4 0.964 127.6 44.2 -64.7 -49.0 -0.7 36.3 100.9 310 311 A D H 3> S+ 0 0 123 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.925 111.9 50.4 -58.0 -48.1 1.1 38.9 99.0 311 312 A A H 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.390 108.4 56.4 -75.6 4.0 -1.3 38.7 96.0 312 313 A L H <> S+ 0 0 8 -3,-1.4 4,-4.0 3,-0.1 -1,-0.2 0.762 111.3 39.9 -95.4 -46.4 -4.1 39.1 98.5 313 314 A N H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.994 115.4 52.4 -62.8 -61.9 -2.8 42.3 99.8 314 315 A D H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.740 118.1 40.6 -42.8 -30.1 -1.8 43.4 96.3 315 316 A A H 4 S+ 0 0 3 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.948 104.7 58.7 -85.1 -56.8 -5.4 42.5 95.4 316 317 A I H >< S+ 0 0 50 -4,-4.0 2,-2.3 1,-0.2 3,-1.1 0.889 93.1 77.2 -43.6 -37.6 -7.4 43.9 98.3 317 318 A R T 3< S+ 0 0 179 -4,-2.2 -1,-0.2 1,-0.3 -68,-0.1 -0.493 82.4 60.8 -80.9 76.5 -5.8 47.2 97.4 318 319 A I T 3 0 0 93 -2,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.072 360.0 360.0 178.4 22.8 -8.2 47.8 94.4 319 320 A S < 0 0 117 -3,-1.1 -1,-0.1 -66,-0.0 -66,-0.0 -0.480 360.0 360.0 65.4 360.0 -11.1 47.8 96.8