==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-12 4AMS . COMPND 2 MOLECULE: MG662; . SOURCE 2 ORGANISM_SCIENTIFIC: MEGAVIRUS CHILIENSIS; . AUTHOR A.LARTIGUE,J.M.CLAVERIE,S.PRIET,C.ABERGEL . 367 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 3 1 0 1 1 1 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 -16 A S > 0 0 110 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 135.6 38.5 3.2 57.4 2 -15 A H T 3 + 0 0 164 1,-0.3 4,-0.2 2,-0.1 0, 0.0 0.352 360.0 87.9 -87.5 6.4 35.5 5.0 56.1 3 -14 A H T 3 S+ 0 0 166 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.688 100.0 29.4 -66.6 -17.6 33.4 1.9 55.8 4 -13 A H S < S+ 0 0 130 -3,-1.2 2,-1.0 1,-0.1 -2,-0.1 0.799 117.5 22.1-118.4 -89.9 32.4 2.5 59.3 5 -12 A H S S+ 0 0 181 -4,-0.5 2,-0.3 2,-0.0 -3,-0.1 -0.071 85.7 129.4 -90.0 44.4 32.0 5.4 61.6 6 -11 A H + 0 0 103 -2,-1.0 -4,-0.0 -4,-0.2 0, 0.0 -0.744 24.3 164.3-100.7 142.9 31.5 7.8 58.7 7 -10 A H - 0 0 135 -2,-0.3 2,-1.2 1,-0.1 -1,-0.1 0.703 25.6-150.8-131.6 -30.9 28.6 10.3 58.5 8 -9 A S + 0 0 72 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 -0.723 21.3 177.4 86.0 -92.6 28.9 13.2 56.0 9 -8 A L + 0 0 136 -2,-1.2 -1,-0.2 1,-0.0 -2,-0.1 0.951 26.9 126.1 54.4 89.7 26.7 15.8 57.8 10 -7 A E + 0 0 152 2,-0.1 2,-0.2 0, 0.0 -1,-0.0 0.066 13.0 139.7 140.7 91.5 27.0 18.9 55.5 11 -6 A V - 0 0 141 1,-0.1 2,-0.2 -3,-0.0 -3,-0.0 0.071 41.6-131.9 80.8 116.4 24.4 20.1 54.7 12 -5 A L 0 0 158 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.742 360.0 360.0-133.4-177.3 24.1 23.9 54.6 13 -4 A F 0 0 252 -2,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.643 360.0 360.0-125.7 360.0 21.7 26.6 55.7 14 ! 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 15 0 A G 0 0 77 0, 0.0 3,-0.1 0, 0.0 179,-0.1 0.000 360.0 360.0 360.0-171.5 18.6 34.8 55.2 16 1 A S - 0 0 17 1,-0.2 2,-0.3 277,-0.1 41,-0.1 -0.157 360.0 -65.3 -81.3 173.1 19.0 38.1 57.0 17 2 A L - 0 0 19 40,-0.2 40,-1.1 39,-0.1 2,-0.4 -0.400 53.6-175.3 -69.0 120.4 21.8 40.6 56.5 18 3 A I B -A 56 0A 80 -2,-0.3 38,-0.2 38,-0.2 5,-0.1 -0.926 30.6-105.8-113.3 136.0 25.2 39.2 57.7 19 4 A Y + 0 0 26 36,-2.1 2,-0.3 -2,-0.4 3,-0.0 -0.359 44.4 165.0 -63.8 135.5 28.3 41.3 57.7 20 5 A T >> - 0 0 68 -2,-0.1 4,-1.8 1,-0.0 3,-1.4 -0.974 47.9-122.2-145.8 143.0 30.9 40.6 55.0 21 6 A Y H 3> S+ 0 0 173 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.772 116.0 63.1 -52.4 -24.6 33.9 42.7 54.0 22 7 A K H 3> S+ 0 0 174 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.912 101.0 49.0 -65.8 -42.2 32.2 42.6 50.6 23 8 A L H <> S+ 0 0 19 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.944 110.9 49.6 -64.0 -45.6 29.2 44.5 51.9 24 9 A E H X S+ 0 0 21 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.927 109.6 51.5 -60.5 -44.2 31.4 47.1 53.5 25 10 A K H X S+ 0 0 139 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.905 109.5 52.2 -57.4 -42.5 33.3 47.6 50.2 26 11 A Y H X>S+ 0 0 106 -4,-2.2 4,-2.8 2,-0.2 5,-0.9 0.934 111.0 43.5 -63.7 -48.2 30.0 48.0 48.4 27 12 A V H X>S+ 0 0 0 -4,-2.4 5,-3.2 1,-0.2 4,-0.9 0.927 114.1 52.0 -66.5 -39.2 28.6 50.7 50.7 28 13 A R H <5S+ 0 0 61 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.846 123.4 26.5 -62.9 -34.9 31.9 52.6 50.8 29 14 A T H <5S+ 0 0 65 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.779 133.1 28.7-103.8 -30.3 32.3 52.7 47.0 30 15 A K H <5S+ 0 0 125 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.781 129.7 28.9-100.4 -32.7 28.8 52.5 45.5 31 16 A I T >X> - 0 0 91 -2,-0.1 3,-3.6 1,-0.0 4,-0.5 -0.289 65.3-125.6 146.8 105.3 36.6 61.2 50.8 41 26 A K G > S+ 0 0 117 1,-0.3 3,-0.7 2,-0.2 -1,-0.0 0.787 112.6 53.8 -49.6 -32.2 38.0 58.5 53.0 42 27 A N G 3 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.510 105.5 54.5 -81.4 -4.0 39.7 61.2 55.1 43 28 A R G < S+ 0 0 45 -3,-3.6 22,-2.3 -5,-0.1 2,-0.3 0.343 106.6 46.6-112.7 2.8 36.4 63.2 55.6 44 29 A Y E < -B 64 0B 15 -3,-0.7 2,-0.3 -4,-0.5 20,-0.2 -0.968 57.6-163.0-145.3 160.9 34.2 60.5 57.0 45 30 A I E -B 63 0B 57 18,-1.6 18,-2.2 -2,-0.3 2,-0.3 -0.991 18.6-130.0-149.6 131.7 34.3 57.8 59.7 46 31 A I E -B 62 0B 4 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.630 32.5-179.8 -83.9 139.7 32.1 54.8 60.3 47 32 A K E >> +B 61 0B 60 14,-3.4 14,-0.9 -2,-0.3 3,-0.6 -0.839 33.0 19.3-129.5 171.0 30.8 54.3 63.8 48 33 A G H 3> S- 0 0 37 -2,-0.3 4,-1.1 1,-0.2 3,-0.3 -0.302 112.5 -12.6 78.0-150.5 28.6 51.9 65.9 49 34 A S H 34>S+ 0 0 11 1,-0.2 5,-1.8 2,-0.2 3,-0.4 0.865 133.5 52.6 -61.2 -38.1 27.8 48.4 65.1 50 35 A F H X45S+ 0 0 1 -3,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.864 105.5 53.2 -70.7 -35.8 29.0 48.4 61.5 51 36 A R H 3<5S+ 0 0 140 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.771 109.8 52.2 -62.3 -25.3 32.4 49.8 62.5 52 37 A R T 3<5S- 0 0 78 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.465 107.9-130.4 -90.6 -4.5 32.4 46.8 64.9 53 38 A R T < 5 - 0 0 106 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.847 33.1-172.0 58.4 34.3 31.6 44.4 62.1 54 39 A V < - 0 0 2 -5,-1.8 -35,-0.2 1,-0.1 -1,-0.2 -0.381 24.1-130.4 -59.3 136.2 28.8 42.8 64.2 55 40 A P S S+ 0 0 49 0, 0.0 -36,-2.1 0, 0.0 2,-1.4 0.851 98.9 57.5 -65.1 -40.2 27.6 39.8 62.2 56 41 A F B S-A 18 0A 35 201,-0.4 -38,-0.2 -38,-0.2 -2,-0.1 -0.737 92.3-148.7 -90.0 90.0 23.9 40.5 62.3 57 42 A V + 0 0 4 -2,-1.4 -40,-0.2 -40,-1.1 3,-0.1 -0.333 29.0 168.0 -71.1 141.6 24.2 43.9 60.7 58 43 A T - 0 0 9 1,-0.4 140,-0.5 -4,-0.1 2,-0.3 0.724 57.1 -20.8-116.0 -42.1 21.6 46.4 61.7 59 44 A D E - c 0 198B 42 138,-0.1 2,-0.4 2,-0.0 -1,-0.4 -0.940 50.7-118.9-161.2 169.5 22.6 49.9 60.4 60 45 A I E - c 0 199B 0 138,-1.6 140,-3.2 -2,-0.3 2,-0.5 -0.992 24.9-168.7-125.8 124.3 25.5 51.9 59.1 61 46 A D E +Bc 47 200B 46 -14,-0.9 -14,-3.4 -2,-0.4 2,-0.3 -0.953 14.7 170.2-113.1 128.3 26.3 55.0 61.2 62 47 A V E -Bc 46 201B 0 138,-2.8 140,-2.3 -2,-0.5 2,-0.4 -0.986 23.8-145.5-139.7 148.8 28.8 57.4 59.6 63 48 A V E -Bc 45 202B 6 -18,-2.2 -18,-1.6 -2,-0.3 2,-0.6 -0.958 7.0-159.3-116.3 132.7 30.0 61.0 60.2 64 49 A N E -Bc 44 203B 0 138,-3.3 140,-2.7 -2,-0.4 2,-1.0 -0.935 3.2-160.3-112.7 110.1 30.9 63.4 57.5 65 50 A N E + c 0 204B 65 -22,-2.3 140,-0.2 -2,-0.6 138,-0.1 -0.768 23.4 161.9 -88.4 99.8 33.3 66.3 58.7 66 51 A V > + 0 0 0 138,-1.7 4,-2.9 -2,-1.0 3,-0.2 0.505 17.4 149.3-105.4 -4.6 32.7 68.9 56.0 67 52 A Y T 4 + 0 0 84 137,-0.9 4,-0.1 139,-0.3 139,-0.1 -0.541 62.9 12.5 -74.4 139.2 34.0 72.1 57.6 68 53 A P T 4 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.999 126.0 52.9 -92.1 -11.4 35.3 74.6 56.1 69 54 A E T 4 S+ 0 0 102 -3,-0.2 2,-0.5 1,-0.2 -2,-0.2 0.915 125.3 33.1 -49.8 -43.6 34.4 73.6 52.5 70 55 A I S < S+ 0 0 6 -4,-2.9 2,-0.2 134,-0.1 -1,-0.2 -0.971 83.7 135.9-118.2 125.8 30.9 73.4 53.9 71 56 A S S > S- 0 0 13 -2,-0.5 4,-1.5 -4,-0.1 3,-0.5 -0.696 73.4 -66.9-145.8-166.5 30.0 75.7 56.7 72 57 A R T 4 S+ 0 0 85 133,-0.2 4,-0.4 -2,-0.2 134,-0.1 0.741 124.1 70.1 -68.7 -20.2 27.0 77.9 57.6 73 58 A E T 4 S+ 0 0 179 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.931 121.9 7.7 -60.0 -45.0 27.8 80.0 54.6 74 59 A N T > S+ 0 0 40 -3,-0.5 4,-2.7 2,-0.1 5,-0.2 0.284 95.5 106.3-122.1 5.1 26.8 77.3 52.0 75 60 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.840 82.8 51.9 -60.6 -33.5 25.2 74.6 54.1 76 61 A Y H > S+ 0 0 46 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.973 112.3 43.3 -65.9 -53.8 21.7 75.5 52.9 77 62 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.894 115.2 50.7 -58.0 -41.9 22.6 75.4 49.2 78 63 A E H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 110.8 47.0 -65.4 -43.7 24.5 72.2 49.7 79 64 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.881 111.7 51.8 -66.4 -36.4 21.8 70.4 51.5 80 65 A I H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.939 109.5 49.0 -66.4 -43.6 19.2 71.5 48.9 81 66 A K H X S+ 0 0 130 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.923 113.4 49.0 -55.6 -44.3 21.4 70.2 46.1 82 67 A L H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.933 109.8 48.3 -67.0 -47.9 21.7 66.9 48.0 83 68 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.965 110.7 52.4 -59.6 -48.3 18.1 66.4 48.7 84 69 A N H X S+ 0 0 77 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.936 110.2 49.1 -51.0 -47.6 17.2 67.2 45.1 85 70 A N H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.8 47.0 -58.6 -39.9 19.8 64.5 44.0 86 71 A I H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 6,-0.3 0.888 107.3 55.3 -72.0 -40.3 18.4 61.9 46.4 87 72 A Q H 3< S+ 0 0 97 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.7 52.3 -61.0 -24.7 14.8 62.6 45.4 88 73 A S T 3< S+ 0 0 103 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.464 94.7 83.3 -89.0 -1.9 15.9 61.9 41.8 89 74 A D X - 0 0 31 -3,-1.7 3,-1.3 3,-0.2 -1,-0.1 -0.899 57.7-168.4-110.1 109.0 17.5 58.6 42.8 90 75 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.645 85.8 62.0 -67.7 -13.4 15.0 55.7 43.0 91 76 A N T 3 S+ 0 0 116 1,-0.1 100,-0.6 -3,-0.1 2,-0.4 0.544 100.0 54.4 -91.1 -7.1 17.6 53.6 44.7 92 77 A I E < -D 190 0B 7 -3,-1.3 2,-0.4 -6,-0.3 -3,-0.2 -0.996 63.7-160.9-137.9 126.3 18.0 55.7 47.8 93 78 A I E -D 189 0B 30 96,-2.4 96,-2.4 -2,-0.4 2,-0.7 -0.879 5.6-160.1-105.8 133.1 15.4 56.9 50.3 94 79 A L E -D 188 0B 0 -2,-0.4 94,-0.2 94,-0.2 3,-0.1 -0.952 13.5-179.8-108.8 106.0 16.0 59.8 52.6 95 80 A A E - 0 0 0 92,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.970 60.8 -6.7 -71.6 -50.6 13.4 59.3 55.2 96 81 A Y E -D 187 0B 14 91,-0.9 91,-2.8 59,-0.2 2,-0.5 -0.997 49.8-148.6-150.7 142.8 14.1 62.3 57.4 97 82 A L E -DE 186 154B 0 57,-3.8 57,-3.1 -2,-0.3 2,-0.5 -0.977 22.4-155.4-115.3 119.1 16.5 65.1 57.8 98 83 A S E +DE 185 153B 24 87,-3.3 87,-3.0 -2,-0.5 2,-0.3 -0.841 29.5 140.1 -98.7 127.7 17.0 66.2 61.5 99 84 A C E + 0 0 6 53,-1.6 85,-0.1 -2,-0.5 79,-0.1 -0.864 47.1 2.9-161.7 129.0 18.2 69.6 62.4 100 85 A G E - 0 0 13 -2,-0.3 52,-2.4 83,-0.2 2,-0.3 0.008 62.5-100.6 91.1 171.3 17.2 72.0 65.1 101 86 A T E - E 0 151B 64 50,-0.2 2,-0.8 76,-0.1 50,-0.2 -0.933 9.4-134.7-134.3 151.9 14.9 72.2 68.1 102 87 A D > - 0 0 14 48,-2.3 3,-2.1 -2,-0.3 4,-0.1 -0.879 23.0-162.6-101.8 95.2 11.5 73.6 69.1 103 88 A E G > S+ 0 0 101 -2,-0.8 3,-2.2 1,-0.3 -1,-0.1 0.680 80.0 81.2 -58.5 -19.0 12.5 75.1 72.5 104 89 A R G 3 S+ 0 0 80 1,-0.3 -1,-0.3 45,-0.1 46,-0.1 0.539 97.9 45.9 -58.2 -5.8 8.8 75.2 73.5 105 90 A F G < S+ 0 0 0 -3,-2.1 -1,-0.3 45,-0.1 -2,-0.2 0.187 86.3 120.0-124.0 12.3 9.4 71.5 74.3 106 91 A K < - 0 0 85 -3,-2.2 -3,-0.0 1,-0.1 2,-0.0 -0.370 49.9-150.5 -71.1 157.0 12.7 72.0 76.1 107 92 A I + 0 0 35 1,-0.1 -1,-0.1 -2,-0.1 6,-0.0 0.262 42.0 145.3-103.6-130.9 12.8 70.8 79.7 108 93 A S S S- 0 0 87 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.401 71.1-106.5 99.6 1.0 14.9 72.1 82.7 109 94 A T + 0 0 91 1,-0.1 -3,-0.0 2,-0.0 3,-0.0 0.535 65.7 136.4 64.6 157.4 12.0 71.4 85.1 110 95 A G > - 0 0 42 2,-0.1 2,-2.5 0, 0.0 3,-1.4 0.604 53.6-125.3 135.2 51.2 9.4 73.5 87.0 111 96 A S T >> S+ 0 0 87 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.244 104.4 73.7 17.3 -46.4 5.9 72.0 86.8 112 97 A S H 3> S+ 0 0 80 -2,-2.5 4,-3.1 1,-0.2 -1,-0.3 0.968 99.3 46.5 -41.5 -55.5 4.5 75.3 85.5 113 98 A K H <> S+ 0 0 49 -3,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.678 102.8 61.5 -72.4 -17.2 6.2 74.5 82.1 114 99 A E H <> S+ 0 0 13 -3,-0.5 4,-3.4 2,-0.2 3,-0.4 0.922 113.7 36.7 -75.1 -42.3 5.0 70.9 82.0 115 100 A L H < S+ 0 0 101 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.962 113.9 59.0 -66.1 -47.9 1.4 72.1 81.9 116 101 A S H < S+ 0 0 67 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.632 118.1 31.4 -58.9 -12.5 2.7 75.0 79.8 117 102 A N H >< S+ 0 0 6 -4,-0.5 3,-1.3 -3,-0.4 -1,-0.2 0.677 103.5 73.7-122.1 -26.6 3.9 72.4 77.3 118 103 A I T 3< S+ 0 0 25 -4,-3.4 7,-0.0 1,-0.2 6,-0.0 -0.590 93.1 54.2 -62.1 150.3 1.4 69.6 77.6 119 104 A Q T 3 S+ 0 0 108 -2,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.301 83.9 80.4 96.6 -11.5 -1.5 71.4 75.8 120 105 A S S < S+ 0 0 23 -3,-1.3 48,-0.2 -16,-0.1 -2,-0.1 0.335 96.5 65.9 -90.2 4.1 0.5 72.2 72.7 121 106 A L S S- 0 0 29 1,-0.1 47,-0.1 46,-0.1 3,-0.1 0.407 71.5-143.2-104.3-137.1 -0.4 68.5 72.0 122 107 A L S S+ 0 0 122 0, 0.0 2,-1.9 0, 0.0 3,-0.4 0.044 95.8 37.7-166.4 -82.8 -3.5 66.3 71.3 123 108 A P S S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.679 81.8 134.7 -74.3 82.1 -3.4 62.8 72.8 124 109 A D > + 0 0 40 -2,-1.9 4,-2.1 2,-0.2 5,-0.1 0.331 49.6 78.0-111.8 -4.1 -1.7 64.7 75.6 125 110 A N H > S+ 0 0 108 -3,-0.4 4,-5.7 2,-0.2 5,-0.4 0.857 88.5 63.5 -63.4 -35.9 -3.8 62.9 78.2 126 111 A E H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.856 102.4 47.2 -48.1 -41.5 -1.2 60.4 77.3 127 112 A K H >> S+ 0 0 2 2,-0.2 4,-0.6 1,-0.1 3,-0.6 0.944 118.7 39.2 -66.0 -50.5 1.2 62.9 78.7 128 113 A N H >X S+ 0 0 84 -4,-2.1 4,-1.6 2,-0.2 3,-1.3 0.916 106.5 62.9 -67.4 -44.7 -0.9 63.4 81.8 129 114 A E H 3< S+ 0 0 115 -4,-5.7 -1,-0.2 1,-0.3 -3,-0.2 0.716 110.1 44.9 -50.4 -18.7 -1.8 59.7 82.1 130 115 A F H <4 S+ 0 0 22 -3,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.608 93.8 72.9-103.7 -23.1 1.9 59.4 82.6 131 116 A Q H << S+ 0 0 46 -3,-1.3 2,-2.0 -4,-0.6 -2,-0.2 0.847 80.1 84.7 -54.7 -36.8 2.1 62.3 85.0 132 117 A L S < S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.1 -4,-0.0 -0.561 70.3 83.5 -66.9 82.2 0.5 59.7 87.2 133 118 A V 0 0 76 -2,-2.0 4,-0.3 0, 0.0 -1,-0.1 -0.199 360.0 360.0 168.8 70.1 3.9 58.3 88.1 134 119 A L 0 0 157 2,-0.1 -2,-0.1 3,-0.1 4,-0.1 0.465 360.0 360.0-132.7 360.0 5.5 60.2 91.0 135 ! 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 0.0 136 127 A Q 0 0 120 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.5 12.2 62.6 88.2 137 128 A K > + 0 0 73 -4,-0.3 4,-1.7 2,-0.1 5,-0.1 0.060 360.0 75.1-144.0 -17.9 12.1 59.6 85.8 138 129 A K H > S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.928 91.3 53.1 -50.8 -51.4 8.8 61.1 85.1 139 130 A L H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 104.3 56.3 -60.4 -32.8 10.9 63.7 83.2 140 131 A F H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 109.7 42.5 -66.8 -43.6 12.5 60.9 81.2 141 132 A F H X S+ 0 0 55 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.612 111.8 56.9 -82.4 -7.8 9.3 59.5 79.9 142 133 A L H X S+ 0 0 1 -4,-1.2 4,-2.1 2,-0.2 3,-0.4 0.914 107.6 45.8 -79.0 -49.7 8.0 63.0 79.2 143 134 A N H X S+ 0 0 50 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.842 109.8 58.2 -56.9 -32.5 11.0 63.7 77.0 144 135 A E H < S+ 0 0 59 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.901 108.5 44.7 -60.8 -41.5 10.3 60.3 75.5 145 136 A L H < S+ 0 0 65 -4,-0.9 3,-0.3 -3,-0.4 -2,-0.2 0.859 119.6 37.5 -75.6 -36.3 6.8 61.5 74.6 146 137 A I H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-1.5 0.325 81.3 115.4-102.7 5.2 7.7 64.9 73.2 147 138 A W H 3X S+ 0 0 79 -4,-0.8 4,-3.1 -3,-0.3 -1,-0.2 0.848 77.9 45.1 -37.6 -56.6 10.9 63.9 71.5 148 139 A D H 34 S+ 0 0 82 -3,-0.3 5,-0.4 -4,-0.2 -1,-0.3 0.637 112.7 52.1 -73.8 -15.0 9.7 64.5 67.9 149 140 A H H <4 S+ 0 0 64 -3,-1.5 -2,-0.2 3,-0.1 -1,-0.2 0.863 116.8 39.0 -80.0 -41.0 8.2 67.8 68.9 150 141 A Y H < S+ 0 0 44 -4,-2.6 -48,-2.3 -45,-0.2 2,-0.7 0.931 113.8 54.6 -76.0 -48.7 11.4 69.0 70.5 151 142 A K E < S-E 101 0B 71 -4,-3.1 2,-0.4 -5,-0.2 -50,-0.2 -0.814 91.7-128.8 -90.9 114.7 13.9 67.6 68.0 152 143 A L E - 0 0 6 -52,-2.4 -53,-1.6 -2,-0.7 2,-0.4 -0.486 24.6-172.3 -71.1 121.0 13.0 68.8 64.5 153 144 A R E -E 98 0B 85 -5,-0.4 2,-0.4 -2,-0.4 -55,-0.2 -0.957 6.0-164.5-108.4 132.9 12.6 66.1 61.9 154 145 A W E -E 97 0B 0 -57,-3.1 -57,-3.8 -2,-0.4 10,-0.0 -0.937 10.3-144.2-118.4 134.6 12.2 67.3 58.3 155 146 A K > - 0 0 78 -2,-0.4 4,-2.2 -59,-0.2 3,-0.3 -0.598 35.9-104.8 -84.9 162.4 11.0 65.2 55.4 156 147 A P H > S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.912 123.9 55.4 -51.8 -45.6 12.5 66.0 51.9 157 148 A E H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 107.6 48.6 -52.7 -47.5 9.3 67.7 51.0 158 149 A D H >>S+ 0 0 40 -3,-0.3 4,-1.3 1,-0.2 5,-0.8 0.876 112.0 49.0 -63.6 -39.8 9.5 70.0 54.0 159 150 A V H <5S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.929 112.8 47.4 -61.9 -46.3 13.2 70.8 53.2 160 151 A L H <5S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.878 112.3 47.2 -70.5 -39.4 12.3 71.6 49.6 161 152 A I H <5S- 0 0 119 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.771 111.1-132.9 -66.8 -28.8 9.4 73.8 50.4 162 153 A G T <5 + 0 0 10 -4,-1.3 12,-2.9 -5,-0.3 13,-0.5 0.497 69.8 44.9 90.1 3.2 11.8 75.4 52.9 163 154 A S E < -G 173 0C 41 -5,-0.8 2,-0.3 10,-0.3 10,-0.2 -0.979 60.0-153.4-160.6 169.0 9.6 75.4 56.0 164 155 A M E -G 172 0C 23 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.989 23.2-106.4-148.2 159.6 7.2 73.4 58.1 165 156 A N E -G 171 0C 130 -2,-0.3 6,-0.3 6,-0.2 2,-0.1 -0.719 35.3-174.0 -90.1 130.8 4.3 73.7 60.5 166 157 A L E >> -G 170 0C 39 4,-4.7 4,-0.5 -2,-0.4 3,-0.5 -0.353 40.3 -49.8-109.3-170.5 4.7 73.1 64.1 167 158 A A T 34 S+ 0 0 16 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 -0.342 120.0 17.1 -66.5 138.2 2.5 72.8 67.2 168 159 A N T 34 S- 0 0 124 -48,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.927 130.9 -63.8 67.4 48.8 0.1 75.7 67.7 169 160 A N T <4 S+ 0 0 158 -3,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.841 93.0 147.0 40.1 43.1 0.3 77.1 64.2 170 161 A V E < -G 166 0C 57 -4,-0.5 -4,-4.7 -3,-0.2 2,-0.4 -0.914 33.5-155.2-100.8 137.2 3.9 78.0 64.5 171 162 A S E -G 165 0C 72 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.2 -0.853 2.2-156.5-108.9 143.7 6.0 77.7 61.4 172 163 A V E -G 164 0C 30 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.4 -0.976 12.7-134.0-122.6 142.2 9.7 77.1 61.3 173 164 A N E > -G 163 0C 59 -2,-0.4 4,-2.2 -10,-0.2 -10,-0.3 -0.786 5.4-145.6 -98.2 130.7 12.0 78.1 58.4 174 165 A F H > S+ 0 0 0 -12,-2.9 4,-2.7 -2,-0.4 5,-0.2 0.891 96.2 49.5 -65.6 -41.8 14.6 75.5 57.1 175 166 A R H > S+ 0 0 97 -13,-0.5 4,-2.9 2,-0.2 5,-0.3 0.943 110.9 48.9 -61.1 -48.2 17.4 78.0 56.2 176 167 A E H > S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.947 112.1 53.1 -56.7 -44.8 17.3 79.8 59.5 177 168 A T H >< S+ 0 0 14 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.937 114.4 37.1 -55.0 -54.8 17.4 76.4 61.1 178 169 A V H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.840 114.6 54.7 -73.3 -29.1 20.5 75.1 59.3 179 170 A E H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.610 112.3 44.7 -81.1 -11.8 22.3 78.5 59.3 180 171 A N T << S+ 0 0 112 -4,-1.1 -1,-0.3 -3,-0.5 2,-0.2 0.020 110.3 67.2-114.1 24.0 21.9 78.7 63.1 181 172 A N < - 0 0 53 -3,-1.1 3,-0.1 1,-0.1 -3,-0.1 -0.661 64.5-145.9-132.2-172.5 22.9 75.1 63.7 182 173 A S S S+ 0 0 23 1,-0.3 23,-1.9 -2,-0.2 24,-0.4 0.558 73.0 32.6-137.2 -19.0 26.0 72.9 63.4 183 174 A T E - F 0 204B 47 21,-0.2 2,-0.4 22,-0.1 -1,-0.3 -0.959 55.2-156.6-139.9 160.5 25.1 69.4 62.5 184 175 A I E - F 0 203B 0 19,-1.5 19,-2.8 -2,-0.3 2,-0.6 -0.999 12.2-142.5-137.7 133.8 22.4 67.6 60.4 185 176 A L E -DF 98 202B 48 -87,-3.0 -87,-3.3 -2,-0.4 2,-0.7 -0.876 13.1-166.5 -99.6 120.2 21.2 64.1 60.7 186 177 A L E -DF 97 201B 0 15,-3.2 15,-2.8 -2,-0.6 2,-0.9 -0.906 3.5-162.2-104.7 110.8 20.4 62.4 57.4 187 178 A Q E +DF 96 200B 40 -91,-2.8 -92,-2.4 -2,-0.7 -91,-0.9 -0.809 19.8 176.8 -95.8 103.6 18.4 59.2 57.9 188 179 A Y E -DF 94 199B 0 11,-3.1 11,-2.6 -2,-0.9 2,-0.4 -0.677 22.7-152.8-101.0 157.1 18.7 57.1 54.7 189 180 A Y E +DF 93 198B 11 -96,-2.4 -96,-2.4 9,-0.3 2,-0.3 -1.000 19.1 172.9-123.8 135.2 17.5 53.7 53.6 190 181 A V E -DF 92 197B 5 7,-2.5 7,-3.0 -2,-0.4 2,-0.6 -0.966 37.4-108.4-134.7 146.7 19.3 51.7 51.0 191 182 A K E + F 0 196B 136 -100,-0.6 -2,-0.0 -2,-0.3 7,-0.0 -0.685 57.1 137.9 -81.6 119.4 18.8 48.2 49.8 192 183 A L + 0 0 24 3,-1.5 -1,-0.2 -2,-0.6 -165,-0.0 0.589 68.8 33.3-122.8 -58.0 21.6 46.0 51.0 193 184 A G S S- 0 0 25 2,-0.9 -177,-0.1 1,-0.1 4,-0.1 0.676 119.5 -74.9 -61.6-126.8 20.0 42.8 52.2 194 185 A S S S+ 0 0 50 -179,-0.1 99,-0.1 2,-0.1 -1,-0.1 -0.173 125.6 48.7-116.5 20.8 16.9 41.7 50.3 195 186 A Y S S- 0 0 14 -5,-0.1 -3,-1.5 98,-0.0 -2,-0.9 -0.956 102.7 -78.4-152.1 165.3 15.4 44.5 52.4 196 187 A P E - F 0 191B 10 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.462 37.9-162.5 -72.0 140.4 16.2 48.2 53.2 197 188 A V E - F 0 190B 3 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.3 -0.960 20.5-118.9-121.6 140.1 18.8 49.0 55.7 198 189 A G E -cF 59 189B 4 -140,-0.5 -138,-1.6 -2,-0.4 2,-0.5 -0.610 21.7-165.7 -81.2 133.6 19.1 52.4 57.4 199 190 A I E -cF 60 188B 0 -11,-2.6 -11,-3.1 -2,-0.3 2,-0.6 -0.986 8.2-154.6-115.8 127.1 22.2 54.5 56.9 200 191 A D E -cF 61 187B 45 -140,-3.2 -138,-2.8 -2,-0.5 2,-0.5 -0.899 10.0-171.7-105.9 118.1 22.6 57.4 59.3 201 192 A V E -cF 62 186B 0 -15,-2.8 -15,-3.2 -2,-0.6 2,-0.6 -0.937 6.4-162.3-111.7 121.2 24.8 60.3 58.1 202 193 A V E -cF 63 185B 30 -140,-2.3 -138,-3.3 -2,-0.5 2,-0.7 -0.900 8.4-154.0-101.4 120.0 25.8 63.1 60.5 203 194 A I E -cF 64 184B 0 -19,-2.8 -19,-1.5 -2,-0.6 2,-0.8 -0.855 5.6-165.7 -93.2 116.1 27.0 66.2 58.7 204 195 A N E +cF 65 183B 8 -140,-2.7 -138,-1.7 -2,-0.7 -137,-0.9 -0.883 15.3 168.6-101.5 103.8 29.3 68.2 60.9 205 196 A Y + 0 0 0 -23,-1.9 2,-0.3 -2,-0.8 -133,-0.2 0.051 62.9 52.5-110.5 23.9 29.6 71.7 59.3 206 197 A Q S S- 0 0 48 -24,-0.4 -139,-0.3 -135,-0.1 -140,-0.1 -0.838 98.9-103.2-133.5 173.1 31.3 73.5 62.1 207 198 A K + 0 0 156 -2,-0.3 2,-0.0 -141,-0.1 -142,-0.0 0.008 66.4 157.6 -88.3 37.4 34.5 72.2 63.8 208 199 A I - 0 0 63 -26,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.282 48.1-118.8 -73.1 141.9 32.5 71.0 66.8 209 200 A D - 0 0 117 1,-0.2 4,-0.2 -2,-0.0 -1,-0.1 -0.614 22.3-167.9 -67.2 123.7 33.6 68.4 69.3 210 201 A L >> + 0 0 33 -2,-0.4 4,-1.5 1,-0.1 3,-1.4 0.595 63.7 96.9 -90.5 -9.6 31.0 65.7 69.0 211 202 A T H 3> S+ 0 0 66 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.853 77.8 54.3 -49.9 -49.9 32.2 63.9 72.2 212 203 A P H 3> S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.863 107.2 53.9 -53.1 -33.6 29.7 65.5 74.5 213 204 A A H <> S+ 0 0 59 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.850 107.7 50.2 -70.5 -34.1 27.0 64.1 72.2 214 205 A Y H X S+ 0 0 86 -4,-1.5 4,-2.9 -3,-0.3 5,-0.2 0.962 108.7 51.0 -65.9 -52.6 28.5 60.6 72.5 215 206 A K H X S+ 0 0 119 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.924 114.1 44.9 -45.8 -51.7 28.6 60.8 76.3 216 207 A N H X S+ 0 0 100 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.852 111.1 50.9 -72.1 -32.9 24.9 61.8 76.4 217 208 A A H X S+ 0 0 49 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.964 113.9 46.1 -66.2 -47.8 23.8 59.2 73.8 218 209 A A H X S+ 0 0 66 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.963 115.1 46.4 -51.3 -57.0 25.6 56.5 75.8 219 210 A L H X S+ 0 0 84 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.785 112.1 53.9 -56.7 -29.1 24.1 57.9 79.1 220 211 A Y H X S+ 0 0 43 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.939 106.4 48.2 -72.3 -47.7 20.8 58.0 77.2 221 212 A Q H X S+ 0 0 106 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.935 109.9 55.3 -58.9 -44.5 20.8 54.4 76.1 222 213 A L H X S+ 0 0 17 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.947 111.8 42.0 -47.4 -57.8 21.7 53.4 79.7 223 214 A Q H X S+ 0 0 57 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.942 112.9 52.7 -61.0 -47.5 18.6 55.2 81.1 224 215 A L H X S+ 0 0 41 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.912 115.1 41.9 -55.2 -44.6 16.3 54.0 78.4 225 216 A A H ><>S+ 0 0 2 -4,-2.9 5,-2.2 -5,-0.2 3,-0.6 0.966 118.2 43.8 -67.9 -53.8 17.3 50.4 79.1 226 217 A N H ><5S+ 0 0 3 -4,-3.0 3,-2.7 -5,-0.3 -2,-0.2 0.942 107.3 56.8 -60.8 -51.8 17.4 50.5 82.9 227 218 A Y H 3<5S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 116.7 37.8 -52.1 -29.8 14.1 52.5 83.4 228 219 A S T <<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.196 110.4-123.3-108.6 14.0 12.2 49.8 81.4 229 220 A R T < 5 + 0 0 73 -3,-2.7 2,-1.0 1,-0.2 -3,-0.2 0.867 47.2 165.7 47.5 50.5 14.3 46.9 82.8 230 221 A E >< - 0 0 30 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.796 16.8-169.9 -97.5 94.9 15.4 45.6 79.4 231 222 A Y H > S+ 0 0 28 -2,-1.0 4,-0.6 1,-0.2 -1,-0.2 0.778 79.6 58.6 -66.5 -29.1 18.2 43.3 80.6 232 223 A Y H >4 S+ 0 0 0 108,-0.2 3,-1.6 1,-0.2 -1,-0.2 0.979 112.3 37.8 -58.8 -58.5 19.5 42.8 77.1 233 224 A Y H >4 S+ 0 0 40 1,-0.3 3,-2.5 2,-0.2 -2,-0.2 0.802 103.8 72.1 -66.6 -26.3 20.1 46.4 76.4 234 225 A M H 3X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.3 -1,-0.3 0.735 88.7 64.4 -63.8 -17.5 21.3 46.8 80.0 235 226 A L H S+ 0 0 52 -3,-2.5 4,-1.5 1,-0.2 3,-0.2 0.942 92.1 48.0 -69.9 -44.2 25.4 47.6 76.5 237 228 A P H > S+ 0 0 22 0, 0.0 4,-3.0 0, 0.0 3,-0.3 0.920 109.7 55.7 -57.5 -39.0 26.9 49.9 79.1 238 229 A L H X S+ 0 0 0 -4,-0.6 4,-2.8 1,-0.3 -2,-0.2 0.853 100.6 58.2 -62.2 -35.6 28.7 47.0 80.5 239 230 A R H < S+ 0 0 16 -4,-1.7 -1,-0.3 -3,-0.2 -3,-0.1 0.906 111.1 42.0 -60.9 -40.7 30.3 46.3 77.2 240 231 A Y H >< S+ 0 0 147 -4,-1.5 3,-2.3 -3,-0.3 -2,-0.2 0.963 112.2 55.2 -68.7 -50.2 31.7 49.8 77.3 241 232 A Y H 3< S+ 0 0 56 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.884 114.1 38.2 -47.5 -50.7 32.7 49.5 81.0 242 233 A F T >< S+ 0 0 19 -4,-2.8 3,-2.5 1,-0.2 7,-0.3 0.176 79.0 129.0 -88.4 19.7 34.8 46.4 80.5 243 234 A K T < S+ 0 0 101 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.742 75.5 44.5 -46.9 -28.6 36.1 47.7 77.2 244 235 A N T 3 S+ 0 0 164 -3,-0.4 2,-0.9 -4,-0.2 -1,-0.3 0.482 89.6 89.0-103.3 -5.4 39.6 47.0 78.4 245 236 A N <> - 0 0 71 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.839 63.2-161.3 -89.1 107.2 39.1 43.6 79.8 246 237 A Q H > S+ 0 0 151 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.905 84.6 46.6 -55.2 -49.3 39.7 41.3 76.8 247 238 A D H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 116.0 42.8 -65.8 -41.8 38.0 38.2 78.2 248 239 A I H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.873 111.0 57.1 -71.4 -36.1 34.9 39.9 79.5 249 240 A S H X S+ 0 0 25 -4,-2.5 4,-2.3 -7,-0.3 -2,-0.2 0.883 106.9 49.0 -60.1 -40.1 34.7 42.0 76.3 250 241 A Q H X S+ 0 0 117 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.840 112.5 46.8 -68.5 -36.4 34.6 38.8 74.2 251 242 A R H X S+ 0 0 128 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.910 114.6 45.9 -73.6 -42.7 31.9 37.2 76.2 252 243 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.908 113.8 49.9 -65.6 -41.2 29.7 40.4 76.3 253 244 A E H X>S+ 0 0 52 -4,-2.3 4,-2.9 -5,-0.3 5,-0.6 0.902 112.4 48.0 -62.1 -43.1 30.3 40.8 72.6 254 245 A N H X>S+ 0 0 75 -4,-1.9 5,-3.0 3,-0.2 4,-2.0 0.940 113.8 46.0 -61.9 -48.1 29.3 37.2 72.0 255 246 A I H <>S+ 0 0 6 -4,-2.8 5,-1.8 3,-0.2 -2,-0.2 0.923 121.0 37.7 -63.7 -45.1 26.2 37.4 74.1 256 247 A I H <5S+ 0 0 0 -4,-2.7 8,-0.2 -5,-0.2 -2,-0.2 0.891 130.2 26.0 -74.8 -43.0 25.0 40.6 72.6 257 248 A E H <5S+ 0 0 3 -4,-2.9 -201,-0.4 -5,-0.3 -3,-0.2 0.774 134.8 18.8 -97.6 -33.4 26.0 40.1 68.9 258 249 A K T <> S+ 0 0 0 -7,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.808 73.8 56.4 -48.9 -38.4 22.2 39.0 67.8 262 253 A L H 3> S+ 0 0 22 -4,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.809 101.0 57.5 -71.4 -29.6 19.1 38.0 65.8 263 254 A Y H <> S+ 0 0 7 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.961 109.7 44.0 -62.8 -50.4 16.8 39.3 68.5 264 255 A K H X S+ 0 0 14 -4,-1.4 4,-2.4 -8,-0.2 -2,-0.2 0.922 112.6 53.0 -59.6 -44.6 18.4 42.8 68.1 265 256 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 108.0 50.1 -63.7 -39.3 18.3 42.6 64.3 266 257 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.859 109.2 52.0 -68.2 -34.0 14.6 41.7 64.2 267 258 A M H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.927 112.1 45.3 -67.3 -42.9 13.8 44.6 66.5 268 259 A V H X S+ 0 0 35 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.933 111.2 53.3 -63.7 -43.0 15.7 47.1 64.3 269 260 A R H X S+ 0 0 14 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.853 110.1 47.6 -63.6 -34.7 14.1 45.6 61.1 270 261 A I H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.852 111.5 50.4 -72.5 -35.9 10.7 46.1 62.6 271 262 A D H X S+ 0 0 78 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.915 106.3 54.9 -69.1 -40.3 11.5 49.6 63.6 272 263 A D H X S+ 0 0 18 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.884 105.3 55.0 -60.2 -37.3 12.8 50.3 60.1 273 264 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.961 108.8 46.2 -58.0 -52.5 9.4 49.2 58.8 274 265 A H H X S+ 0 0 56 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.837 114.2 49.5 -59.4 -34.7 7.6 51.6 61.1 275 266 A T H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.952 110.3 47.8 -71.8 -49.4 10.0 54.4 60.0 276 267 A L H <>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 6,-0.4 0.906 116.7 48.0 -54.9 -42.1 9.7 53.7 56.3 277 268 A Y H ><5S+ 0 0 58 -4,-2.5 3,-3.3 -5,-0.2 5,-0.3 0.998 112.9 42.1 -59.7 -72.0 5.9 53.7 56.8 278 269 A K H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 112.4 56.1 -53.4 -26.0 5.5 56.9 58.9 279 270 A S T 3<5S- 0 0 6 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.385 116.9-115.4 -89.6 4.7 7.9 58.7 56.7 280 271 A G T < 5S+ 0 0 51 -3,-3.3 -3,-0.2 -5,-0.1 -2,-0.1 0.649 85.3 109.8 77.6 19.1 5.8 57.8 53.7 281 272 A N < + 0 0 44 -5,-3.0 2,-0.7 -6,-0.2 -4,-0.2 0.079 42.6 110.1-114.4 25.4 8.3 55.6 51.8 282 273 A L - 0 0 19 -6,-0.4 2,-0.2 -5,-0.3 43,-0.1 -0.843 43.5-169.0-112.8 104.6 6.7 52.1 52.2 283 274 A K > - 0 0 142 -2,-0.7 4,-3.8 1,-0.1 5,-0.2 -0.524 34.9-116.4 -78.5 153.6 5.2 50.3 49.2 284 275 A I H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.772 117.5 55.4 -61.1 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38.7 59.5 295 286 A L H X S+ 0 0 30 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.850 112.7 52.3 -59.7 -35.8 8.3 35.7 59.6 296 287 A R H >< S+ 0 0 81 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.988 112.4 42.2 -60.1 -58.7 11.1 33.6 58.3 297 288 A D H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.714 101.7 67.9 -69.8 -23.6 13.7 34.7 60.9 298 289 A I H >< S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.843 91.1 65.5 -59.9 -32.6 11.2 34.5 63.8 299 290 A E T << S+ 0 0 146 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.521 95.8 58.4 -68.4 -2.6 11.3 30.8 63.2 300 291 A K T < S+ 0 0 113 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.372 74.7 100.7-111.5 1.7 14.9 30.8 64.2 301 292 A L S X S- 0 0 7 -3,-1.6 3,-2.2 -4,-0.2 2,-0.1 -0.811 83.8-122.0 -84.3 104.5 14.5 32.3 67.7 302 293 A P T 3 S- 0 0 90 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.291 86.6 -3.0 -55.7 118.7 14.7 29.1 69.8 303 294 A G T 3 S+ 0 0 76 1,-0.3 2,-0.2 -4,-0.1 -4,-0.1 0.480 93.6 146.5 82.7 2.8 11.6 28.5 71.9 304 295 A F < + 0 0 39 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.3 -0.528 21.1 176.0 -74.6 137.1 10.0 31.8 70.7 305 296 A E + 0 0 171 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.997 7.5 163.5-141.4 149.2 6.2 31.7 70.4 306 297 A S > - 0 0 24 -2,-0.3 4,-0.5 1,-0.1 3,-0.3 -0.923 36.2-149.2-166.1 136.5 3.6 34.3 69.6 307 298 A D H >> S+ 0 0 121 -2,-0.3 4,-1.6 1,-0.2 3,-0.6 0.742 97.8 74.0 -74.6 -25.1 -0.0 34.5 68.5 308 299 A T H 3> S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.908 85.2 64.3 -54.1 -42.8 0.8 37.7 66.7 309 300 A I H 3> S+ 0 0 19 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.918 102.3 50.1 -47.7 -46.0 2.6 35.6 64.1 310 301 A Y H XX S+ 0 0 162 -3,-0.6 4,-1.9 -4,-0.5 3,-0.9 0.965 109.4 47.8 -59.2 -55.8 -0.8 34.1 63.2 311 302 A Q H 3X S+ 0 0 75 -4,-1.6 4,-2.8 1,-0.3 5,-0.2 0.877 109.6 53.9 -54.3 -41.0 -2.6 37.4 62.9 312 303 A I H 3X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.823 107.1 55.0 -59.8 -31.8 0.2 38.8 60.7 313 304 A K H << S+ 0 0 118 -4,-1.4 3,-0.3 -3,-0.9 -2,-0.2 0.933 110.9 41.2 -68.1 -46.4 -0.4 35.7 58.6 314 305 A K H >< S+ 0 0 96 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.919 106.8 61.2 -72.4 -42.1 -4.1 36.4 58.1 315 306 A V H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 90.8 71.7 -50.2 -30.6 -3.7 40.1 57.5 316 307 A A T 3< S+ 0 0 48 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.707 78.0 109.7 -59.2 -16.5 -1.5 39.1 54.5 317 308 A T S < S- 0 0 91 -3,-2.9 -3,-0.0 -4,-0.2 7,-0.0 -0.389 91.9 -70.7 -72.7 134.7 -4.8 38.0 52.9 318 309 A N S S+ 0 0 134 -2,-0.1 6,-0.1 1,-0.1 0, 0.0 0.202 83.0 122.6 19.0-114.7 -6.1 40.0 49.9 319 310 A N S S- 0 0 82 4,-0.1 -1,-0.1 5,-0.1 3,-0.0 0.040 76.0 -56.5 62.9-177.9 -7.3 43.4 51.3 320 311 A S >> - 0 0 54 1,-0.1 4,-2.6 0, 0.0 3,-0.5 -0.756 43.2-122.2 -88.4 144.8 -6.0 46.7 50.0 321 312 A P H 3> S+ 0 0 65 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.903 114.2 64.0 -44.2 -41.5 -2.3 47.2 50.2 322 313 A S H 3> S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.881 108.1 34.6 -53.4 -49.9 -3.4 50.2 52.3 323 314 A I H <> S+ 0 0 57 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.869 114.8 57.9 -78.6 -36.5 -5.0 48.2 55.1 324 315 A K H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.953 109.5 45.0 -55.0 -50.5 -2.4 45.4 54.9 325 316 A I H X S+ 0 0 12 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.899 114.6 48.9 -62.6 -40.5 0.4 47.9 55.5 326 317 A E H X S+ 0 0 61 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.903 113.8 44.5 -66.5 -43.6 -1.5 49.5 58.4 327 318 A E H X S+ 0 0 72 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.969 112.4 51.6 -66.6 -54.1 -2.4 46.3 60.1 328 319 A W H X S+ 0 0 5 -4,-2.6 4,-3.6 -5,-0.3 5,-0.3 0.937 108.0 53.1 -41.8 -56.8 1.1 44.9 59.8 329 320 A D H X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.898 110.5 47.9 -49.7 -45.2 2.5 48.0 61.3 330 321 A I H X S+ 0 0 68 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.880 115.3 43.3 -65.8 -41.4 0.2 47.7 64.3 331 322 A L H X S+ 0 0 16 -4,-2.5 4,-3.1 1,-0.2 3,-0.4 0.895 105.2 62.6 -72.1 -42.8 1.0 44.0 64.8 332 323 A L H X S+ 0 0 3 -4,-3.6 4,-2.3 -5,-0.3 -1,-0.2 0.775 98.6 58.8 -53.4 -26.7 4.7 44.5 64.3 333 324 A K H X S+ 0 0 94 -4,-0.9 4,-1.7 -5,-0.3 -1,-0.2 0.936 108.7 42.7 -68.3 -45.6 4.6 46.8 67.4 334 325 A V H X S+ 0 0 64 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.950 113.8 52.2 -61.2 -49.2 3.3 43.9 69.5 335 326 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.903 105.5 54.9 -56.1 -42.0 5.8 41.6 67.9 336 327 A Y H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.914 110.0 47.2 -56.5 -43.6 8.6 44.0 68.7 337 328 A Q H X S+ 0 0 94 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.844 109.8 52.2 -69.4 -33.6 7.6 43.9 72.3 338 329 A E H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.7 45.2 -66.7 -42.5 7.4 40.1 72.3 339 330 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.885 112.2 52.5 -68.3 -37.5 10.9 39.9 70.9 340 331 A N H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -108,-0.2 0.926 112.0 45.4 -62.4 -45.6 12.1 42.5 73.4 341 332 A T H X S+ 0 0 71 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.881 110.8 53.0 -68.0 -39.1 10.7 40.6 76.3 342 333 A A H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.967 114.9 40.4 -59.7 -51.8 12.0 37.2 75.1 343 334 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.865 112.7 55.7 -68.6 -34.9 15.6 38.6 74.8 344 335 A N H X S+ 0 0 13 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.909 108.5 47.9 -65.9 -40.3 15.3 40.5 78.0 345 336 A N H >< 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