==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-MAR-11 3R30 . COMPND 2 MOLECULE: MAP KINASE-ACTIVATED PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OUBRIE,M.FISHER . 264 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.8 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 . 22 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 2 1 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 46 A F 0 0 229 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.5 10.5 45.2 24.9 2 47 A H + 0 0 190 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.741 360.0 167.3-100.8 106.0 10.1 42.5 27.6 3 48 A V - 0 0 100 -2,-0.8 2,-0.1 0, 0.0 0, 0.0 -0.948 19.0-156.3-127.8 110.3 12.2 39.5 26.7 4 49 A K - 0 0 168 -2,-0.5 -2,-0.0 1,-0.1 2,-0.0 -0.358 31.8 -91.6 -81.8 166.2 12.8 36.7 29.2 5 50 A S - 0 0 99 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.217 37.4-109.3 -73.7 169.5 15.8 34.4 28.9 6 51 A G - 0 0 53 1,-0.1 2,-1.0 -2,-0.0 -1,-0.1 -0.273 42.6 -78.8 -90.8 174.4 16.1 31.0 27.2 7 52 A L - 0 0 44 -2,-0.1 2,-0.8 2,-0.0 -1,-0.1 -0.653 43.2-167.3 -80.9 103.3 16.5 27.5 28.6 8 53 A Q - 0 0 140 -2,-1.0 2,-1.1 2,-0.0 70,-0.8 -0.813 6.3-158.2 -90.0 114.0 20.1 27.0 29.6 9 54 A I E -a 78 0A 59 -2,-0.8 70,-0.2 68,-0.1 2,-0.2 -0.796 17.1-143.1 -90.0 97.2 20.6 23.3 30.3 10 55 A K E -a 79 0A 68 68,-2.1 70,-2.4 -2,-1.1 4,-0.0 -0.452 11.9-163.0 -62.9 132.2 23.7 23.4 32.5 11 56 A K + 0 0 138 68,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.466 54.7 99.3 -94.3 -9.9 26.1 20.4 31.8 12 57 A N S S- 0 0 58 1,-0.2 68,-0.1 69,-0.1 5,-0.1 -0.432 90.2 -74.7 -81.9 159.7 28.2 20.5 35.0 13 58 A A > - 0 0 38 1,-0.2 3,-0.9 -2,-0.1 4,-0.3 -0.189 34.7-141.0 -51.5 136.3 27.7 18.2 38.0 14 59 A I G >> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 3,-1.3 0.773 101.1 66.9 -69.8 -25.2 24.7 19.3 39.9 15 60 A I G 34 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.639 88.6 66.4 -76.3 -12.1 26.6 18.4 43.1 16 61 A D G <4 S+ 0 0 92 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.793 115.3 26.5 -68.5 -28.2 28.9 21.3 42.2 17 62 A D T <4 S+ 0 0 52 -3,-1.3 22,-2.0 -4,-0.3 23,-0.5 0.613 126.1 28.0-114.5 -18.9 26.0 23.8 42.8 18 63 A Y E < -B 38 0A 5 -4,-1.9 2,-0.6 20,-0.2 20,-0.2 -0.951 68.0-123.8-140.2 159.6 23.6 22.1 45.3 19 64 A K E -B 37 0A 57 18,-2.7 18,-2.4 -2,-0.3 2,-0.5 -0.959 30.3-146.7-105.5 115.8 23.8 19.6 48.0 20 65 A V E -B 36 0A 57 -2,-0.6 16,-0.2 16,-0.2 2,-0.1 -0.735 19.2-171.2 -83.5 124.1 21.3 16.8 47.2 21 66 A T E - 0 0 46 14,-1.8 -1,-0.0 -2,-0.5 13,-0.0 -0.397 29.6-116.9-101.9-174.2 19.6 15.2 50.3 22 67 A S E + 0 0 108 -2,-0.1 14,-0.1 12,-0.1 -1,-0.0 0.786 69.4 118.5 -91.5 -31.2 17.4 12.2 50.7 23 68 A Q E - 0 0 130 12,-0.1 12,-2.4 11,-0.1 2,-0.5 -0.117 58.4-141.9 -54.9 119.4 14.1 13.7 51.9 24 69 A V E -B 34 0A 82 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.704 20.4-176.0 -84.3 126.5 11.5 12.9 49.3 25 70 A L E - 0 0 72 8,-3.9 2,-0.2 -2,-0.5 9,-0.2 0.444 69.3 -18.4 -99.8 -3.4 9.0 15.6 48.6 26 71 A G E -B 33 0A 29 7,-0.9 7,-3.0 0, 0.0 2,-0.4 -0.782 49.8-136.0 167.4 150.4 6.9 13.5 46.2 27 72 A L E +B 32 0A 90 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.989 37.7 147.7-118.4 125.6 6.8 10.4 44.0 28 73 A G 0 0 35 3,-1.2 131,-0.1 -2,-0.4 4,-0.1 0.397 360.0 360.0-163.3 33.6 5.2 10.8 40.5 29 74 A I 0 0 130 130,-0.0 3,-0.1 0, 0.0 -2,-0.0 0.155 360.0 360.0-157.6 360.0 6.1 9.1 37.2 30 ! 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 31 76 A G 0 0 76 0, 0.0 -3,-1.2 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 84.4 10.9 8.8 40.1 32 77 A K E -B 27 0A 43 -5,-0.2 17,-0.6 -4,-0.1 2,-0.5 -0.192 360.0-130.7 -65.3 152.5 11.1 10.4 43.5 33 78 A V E -BC 26 48A 26 -7,-3.0 -8,-3.9 15,-0.1 -7,-0.9 -0.958 28.0-157.3-107.4 122.5 11.4 14.2 44.1 34 79 A L E -BC 24 47A 28 13,-1.7 13,-2.9 -2,-0.5 2,-0.4 -0.689 16.2-121.4-106.2 148.9 14.2 15.1 46.5 35 80 A Q E + C 0 46A 31 -12,-2.4 -14,-1.8 -2,-0.3 2,-0.3 -0.744 37.9 175.2 -83.1 133.9 14.9 18.1 48.6 36 81 A I E -BC 20 45A 0 9,-3.3 9,-3.5 -2,-0.4 2,-0.4 -0.940 22.6-132.4-137.4 157.7 18.2 19.8 47.8 37 82 A F E -BC 19 44A 61 -18,-2.4 -18,-2.7 -2,-0.3 2,-0.4 -0.948 19.8-122.0-118.4 132.1 19.9 23.0 49.1 38 83 A N E > -B 18 0A 21 5,-2.3 4,-2.6 -2,-0.4 -20,-0.2 -0.573 18.9-146.5 -69.7 120.3 21.6 25.7 46.9 39 84 A K T 4 S+ 0 0 107 -22,-2.0 -1,-0.2 -2,-0.4 -21,-0.1 0.908 94.2 45.6 -56.0 -45.5 25.2 25.9 48.0 40 85 A R T 4 S+ 0 0 221 -23,-0.5 -1,-0.2 1,-0.1 -22,-0.1 0.908 130.9 17.1 -64.0 -48.5 25.4 29.6 47.4 41 86 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.739 88.2-135.8 -99.4 -33.1 22.2 30.8 49.0 42 87 A Q < + 0 0 124 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.484 51.2 147.4 81.3 11.4 21.2 27.8 51.1 43 88 A E - 0 0 122 -5,-0.1 -5,-2.3 1,-0.1 -1,-0.3 -0.426 52.0-109.3 -72.7 149.0 17.6 28.0 50.1 44 89 A K E +C 37 0A 27 -7,-0.2 51,-0.7 -2,-0.1 2,-0.3 -0.573 41.0 179.4 -77.5 138.6 15.7 24.6 49.8 45 90 A F E -CD 36 94A 30 -9,-3.5 -9,-3.3 -2,-0.3 2,-0.4 -0.946 26.7-122.6-138.8 162.3 14.8 23.4 46.4 46 91 A A E -CD 35 93A 9 47,-2.2 47,-3.3 -2,-0.3 2,-0.5 -0.880 24.1-155.4-105.8 135.1 13.0 20.4 44.9 47 92 A L E -CD 34 92A 2 -13,-2.9 -13,-1.7 -2,-0.4 2,-0.4 -0.950 6.2-167.1-116.4 130.7 14.9 18.3 42.4 48 93 A K E -CD 33 91A 19 43,-3.2 43,-3.5 -2,-0.5 2,-0.5 -0.967 9.0-158.1-117.5 132.6 13.2 16.1 39.7 49 94 A M E + D 0 90A 58 -17,-0.6 2,-0.3 -2,-0.4 41,-0.2 -0.935 13.5 174.3-120.0 124.9 15.3 13.5 37.9 50 95 A L E - D 0 89A 22 39,-3.1 39,-2.4 -2,-0.5 2,-0.4 -0.853 38.5-106.9-124.7 156.7 14.4 12.1 34.5 51 96 A Q E - D 0 88A 70 -2,-0.3 2,-2.3 37,-0.2 5,-0.3 -0.719 47.2-111.0 -76.3 129.7 16.1 9.7 32.0 52 97 A D + 0 0 43 35,-2.0 35,-0.1 -2,-0.4 36,-0.1 -0.433 69.8 134.1 -72.4 77.7 17.3 11.9 29.1 53 98 A C S > S- 0 0 57 -2,-2.3 4,-1.1 36,-0.1 -3,-0.0 -0.467 71.5 -99.2-108.5-177.4 14.9 10.7 26.5 54 99 A P H > S+ 0 0 110 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.874 120.9 57.4 -81.4 -33.1 12.9 12.9 24.2 55 100 A K H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.934 107.8 50.7 -53.1 -45.8 9.6 12.7 26.2 56 101 A A H > S+ 0 0 6 -5,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.825 105.8 53.4 -65.8 -32.6 11.6 14.1 29.1 57 102 A R H X S+ 0 0 46 -4,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.791 106.7 55.7 -70.7 -24.5 13.0 17.0 27.0 58 103 A R H X S+ 0 0 48 -4,-1.4 4,-2.5 -3,-0.4 5,-0.3 0.916 105.9 49.6 -71.5 -42.0 9.3 17.7 26.2 59 104 A E H X S+ 0 0 16 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.994 113.3 45.9 -59.2 -59.9 8.4 18.0 29.9 60 105 A V H X S+ 0 0 2 -4,-1.9 4,-3.7 1,-0.2 5,-0.3 0.922 113.3 49.6 -43.6 -58.0 11.3 20.4 30.6 61 106 A E H X S+ 0 0 96 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 116.7 40.9 -50.6 -49.6 10.6 22.5 27.5 62 107 A L H X S+ 0 0 9 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.885 116.6 47.3 -74.7 -41.1 6.9 22.8 28.3 63 108 A H H X S+ 0 0 2 -4,-3.6 4,-0.7 -5,-0.3 3,-0.4 0.976 112.9 50.7 -61.0 -52.3 7.3 23.3 32.1 64 109 A W H >< S+ 0 0 53 -4,-3.7 3,-1.2 -5,-0.3 4,-0.4 0.897 108.8 50.2 -52.9 -43.4 10.0 25.9 31.5 65 110 A R H 3< S+ 0 0 81 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.3 0.900 116.0 43.5 -65.6 -33.1 7.9 27.8 29.0 66 111 A A H >< S+ 0 0 0 -4,-1.7 3,-0.9 -3,-0.4 -1,-0.3 0.429 87.6 95.2 -87.9 -0.7 5.0 27.8 31.6 67 112 A S T << + 0 0 2 -3,-1.2 5,-0.2 -4,-0.7 -1,-0.2 0.737 69.1 68.7 -72.9 -23.7 7.2 28.6 34.5 68 113 A Q T 3 S+ 0 0 57 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.810 74.6 103.0 -64.7 -34.2 6.6 32.4 34.4 69 114 A C S X S- 0 0 4 -3,-0.9 3,-1.9 1,-0.2 54,-0.1 -0.299 76.0-134.6 -51.0 125.2 3.0 31.9 35.5 70 115 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.773 102.8 50.3 -55.1 -29.0 2.7 32.8 39.2 71 116 A H T 3 S+ 0 0 25 48,-0.1 84,-3.2 83,-0.1 2,-0.4 0.067 95.9 83.6-103.7 27.7 0.6 29.8 39.9 72 117 A I B < S-f 155 0B 0 -3,-1.9 84,-0.2 82,-0.3 82,-0.0 -0.980 93.1-102.3-131.2 120.3 2.9 27.3 38.3 73 118 A V - 0 0 0 82,-1.6 2,-0.1 -2,-0.4 -4,-0.1 -0.073 44.6-123.1 -42.0 118.1 5.9 25.9 40.1 74 119 A R - 0 0 107 -4,-0.1 20,-2.1 -6,-0.1 2,-0.5 -0.383 11.5-137.7 -69.5 140.8 9.0 27.8 38.8 75 120 A I E - E 0 93A 12 18,-0.2 18,-0.2 -11,-0.1 3,-0.1 -0.880 19.6-179.0 -98.6 134.4 12.0 26.0 37.3 76 121 A V E - 0 0 61 16,-2.6 2,-0.3 -2,-0.5 17,-0.2 0.704 62.7 -10.9-110.7 -36.1 15.2 27.5 38.5 77 122 A D E - E 0 92A 22 15,-1.0 15,-2.2 2,-0.0 2,-0.4 -0.910 52.2-148.6-163.9 158.4 17.7 25.4 36.6 78 123 A V E -aE 9 91A 1 -70,-0.8 -68,-2.1 -2,-0.3 2,-0.4 -0.980 17.1-162.2-127.3 135.3 18.0 22.3 34.4 79 124 A Y E -aE 10 90A 0 11,-2.5 11,-2.2 -2,-0.4 2,-0.6 -0.909 16.2-150.5-123.1 141.2 21.0 20.0 34.3 80 125 A E E + E 0 89A 51 -70,-2.4 2,-0.3 -2,-0.4 9,-0.2 -0.918 38.1 158.2-107.7 106.9 22.3 17.3 31.9 81 126 A N E - E 0 88A 22 7,-1.6 7,-1.9 -2,-0.6 2,-0.3 -0.926 40.5-119.5-129.0 155.1 24.3 14.8 33.9 82 127 A L E + E 0 87A 133 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.636 29.1 174.9 -81.9 147.3 25.6 11.2 33.7 83 128 A Y S S- 0 0 170 3,-0.6 3,-0.4 -2,-0.3 -2,-0.0 -0.773 73.3 -17.2-162.2 100.5 24.4 8.8 36.4 84 129 A A S S- 0 0 97 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.998 127.1 -53.4 56.5 64.3 25.4 5.1 36.1 85 130 A G S S+ 0 0 87 1,-0.2 2,-0.6 -3,-0.0 -1,-0.2 0.635 117.7 123.2 49.3 17.2 26.2 5.4 32.4 86 131 A R - 0 0 44 -3,-0.4 -3,-0.6 -35,-0.0 -1,-0.2 -0.922 62.1-135.8-121.3 105.4 22.7 6.9 32.1 87 132 A K E - E 0 82A 104 -2,-0.6 -35,-2.0 -5,-0.2 2,-0.3 -0.274 34.1-169.1 -55.6 139.8 22.2 10.4 30.7 88 133 A C E -DE 51 81A 14 -7,-1.9 -7,-1.6 -37,-0.3 2,-0.6 -0.988 30.4-142.1-143.9 148.0 19.7 12.5 32.8 89 134 A L E -DE 50 80A 4 -39,-2.4 -39,-3.1 -2,-0.3 2,-0.5 -0.945 22.0-168.6-107.1 116.7 17.7 15.6 33.0 90 135 A L E -DE 49 79A 18 -11,-2.2 -11,-2.5 -2,-0.6 2,-0.4 -0.916 4.4-162.0-104.6 126.7 17.6 17.0 36.5 91 136 A I E -DE 48 78A 1 -43,-3.5 -43,-3.2 -2,-0.5 2,-0.5 -0.925 3.8-155.6-108.6 136.7 15.1 19.8 37.1 92 137 A V E -DE 47 77A 0 -15,-2.2 -16,-2.6 -2,-0.4 -15,-1.0 -0.956 21.0-179.2-111.4 127.9 15.3 22.1 40.0 93 138 A M E -DE 46 75A 18 -47,-3.3 -47,-2.2 -2,-0.5 -18,-0.2 -0.852 36.6 -83.2-126.4 164.2 12.1 23.7 41.1 94 139 A E E -D 45 0A 45 -20,-2.1 2,-0.9 -2,-0.3 -49,-0.1 -0.359 51.7-115.7 -62.7 132.9 10.7 26.1 43.7 95 140 A C - 0 0 24 -51,-0.7 2,-1.2 -2,-0.1 -1,-0.1 -0.625 23.6-157.0 -81.0 107.6 10.2 24.3 46.9 96 141 A L > + 0 0 23 -2,-0.9 3,-0.6 1,-0.2 49,-0.2 -0.690 16.4 175.8 -86.6 98.3 6.5 24.3 47.7 97 142 A D T 3 + 0 0 109 48,-1.3 49,-0.2 -2,-1.2 48,-0.2 0.828 62.6 76.5 -75.2 -33.2 6.4 23.8 51.5 98 143 A G T 3 S- 0 0 12 46,-0.9 -1,-0.2 1,-0.1 47,-0.2 0.696 89.4-146.3 -55.1 -24.5 2.7 24.1 52.1 99 144 A G E < -G 144 0B 25 45,-0.8 45,-1.6 -3,-0.6 -1,-0.1 -0.160 42.5 -9.5 81.7-176.6 2.0 20.6 50.8 100 145 A E E >> -G 143 0B 81 43,-0.2 4,-1.9 1,-0.1 3,-1.0 -0.203 65.5-117.5 -69.3 141.8 -1.0 19.2 48.9 101 146 A L H 3> S+ 0 0 4 41,-2.7 4,-1.0 38,-0.6 -1,-0.1 0.791 109.9 41.3 -43.1 -49.4 -4.1 21.3 48.5 102 147 A F H 3> S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.763 106.6 60.7 -82.2 -23.1 -6.5 19.0 50.3 103 148 A S H <4 S+ 0 0 54 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.966 107.6 48.0 -60.2 -50.4 -4.2 18.1 53.2 104 149 A R H < S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.751 107.1 56.7 -59.6 -30.4 -4.1 21.9 53.9 105 150 A I H < S+ 0 0 33 -4,-1.0 2,-1.8 -5,-0.3 -1,-0.2 0.991 96.5 67.2 -62.6 -57.6 -7.9 21.9 53.7 106 151 A Q < 0 0 72 -4,-2.4 -1,-0.2 156,-0.1 157,-0.0 -0.420 360.0 360.0 -72.1 82.7 -8.2 19.2 56.4 107 152 A D 0 0 164 -2,-1.8 156,-0.1 -3,-0.1 157,-0.1 -0.815 360.0 360.0-151.0 360.0 -6.9 21.1 59.5 108 ! 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 0.0 109 159 A T > 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 156.7 -15.9 28.6 53.0 110 160 A E H > + 0 0 4 148,-2.4 4,-2.6 2,-0.2 147,-0.2 0.906 360.0 52.9 -58.5 -43.4 -17.4 29.3 49.6 111 161 A R H > S+ 0 0 11 145,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.894 112.5 44.7 -60.8 -42.6 -15.4 32.6 49.3 112 162 A E H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 109.1 56.9 -67.1 -40.0 -12.2 30.6 50.0 113 163 A A H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.954 108.1 48.3 -54.1 -50.5 -13.3 27.9 47.6 114 164 A S H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 -2,-0.2 0.916 107.5 52.2 -57.0 -54.0 -13.6 30.5 44.8 115 165 A E H X S+ 0 0 110 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.929 111.4 48.0 -50.9 -50.4 -10.2 32.1 45.4 116 166 A I H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.944 112.8 48.4 -56.7 -48.2 -8.5 28.7 45.3 117 167 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.909 108.1 56.0 -62.1 -37.1 -10.4 27.9 42.1 118 168 A K H X S+ 0 0 25 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.944 106.9 49.0 -56.5 -48.6 -9.4 31.3 40.7 119 169 A S H X S+ 0 0 6 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.934 110.3 49.4 -62.6 -44.1 -5.7 30.6 41.2 120 170 A I H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.878 108.7 55.1 -62.5 -34.7 -6.0 27.2 39.5 121 171 A G H X S+ 0 0 0 -4,-2.2 4,-4.0 1,-0.2 -1,-0.2 0.920 104.2 52.1 -61.7 -43.3 -7.8 28.8 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0.856 105.0 63.9 -67.9 -36.0 -27.4 27.5 42.3 221 297 A E H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.883 107.5 40.7 -54.7 -43.5 -24.9 29.7 40.6 222 298 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.1 5,-0.3 0.925 110.3 58.3 -70.5 -46.8 -22.0 27.4 41.5 223 299 A K H X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.952 107.5 46.1 -47.7 -57.2 -24.1 24.3 40.8 224 300 A M H X S+ 0 0 93 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.849 111.6 53.5 -61.8 -33.2 -24.7 25.3 37.2 225 301 A L H X S+ 0 0 1 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.3 0.934 109.9 46.0 -64.4 -45.1 -21.0 26.2 36.8 226 302 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.946 110.6 56.2 -61.5 -42.3 -19.9 22.7 38.0 227 303 A R H < S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.906 107.8 45.9 -54.0 -48.4 -22.5 21.3 35.7 228 304 A N H >< S+ 0 0 81 -4,-2.3 10,-1.2 1,-0.2 3,-0.7 0.821 113.7 50.4 -65.5 -33.1 -21.0 23.1 32.6 229 305 A L H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 110.1 49.4 -71.9 -36.4 -17.5 22.0 33.7 230 306 A L T 3< S+ 0 0 2 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 -0.208 76.5 145.8 -99.3 41.5 -18.5 18.4 34.1 231 307 A K < - 0 0 19 -3,-0.7 6,-0.1 1,-0.1 -25,-0.1 -0.684 47.2-142.8 -77.4 128.7 -20.2 18.1 30.7 232 308 A T S S+ 0 0 71 -2,-0.4 -1,-0.1 -27,-0.1 -26,-0.1 0.910 89.7 65.2 -57.6 -47.5 -19.7 14.5 29.3 233 309 A E S > S- 0 0 92 1,-0.1 3,-0.7 -3,-0.1 4,-0.4 -0.696 78.4-151.5 -77.8 124.8 -19.3 15.9 25.8 234 310 A P G > S+ 0 0 51 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.918 91.9 57.5 -67.7 -41.1 -16.2 18.0 25.6 235 311 A T G 3 S+ 0 0 125 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.723 106.9 51.7 -65.0 -18.4 -17.3 20.4 22.9 236 312 A Q G < S+ 0 0 145 -3,-0.7 -1,-0.3 2,-0.1 -4,-0.1 0.637 94.0 102.7 -85.1 -14.2 -20.2 21.3 25.1 237 313 A R S < S- 0 0 32 -3,-2.2 -8,-0.2 -4,-0.4 -9,-0.1 -0.322 82.1 -89.5 -85.5 154.1 -17.9 22.0 28.0 238 314 A M - 0 0 26 -10,-1.2 -1,-0.1 -13,-0.2 2,-0.1 -0.238 36.0-127.6 -61.9 138.3 -16.8 25.4 29.3 239 315 A T > - 0 0 65 1,-0.1 4,-2.2 -62,-0.0 5,-0.1 -0.420 21.4-117.1 -76.8 157.9 -13.7 27.2 27.9 240 316 A I H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.905 115.5 53.5 -59.8 -40.1 -11.0 28.5 30.3 241 317 A T H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.881 109.9 46.6 -65.2 -41.1 -11.7 32.0 29.2 242 318 A E H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.932 109.0 56.7 -62.5 -45.9 -15.3 31.7 29.9 243 319 A F H < S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 6,-0.3 0.873 107.2 47.4 -54.1 -44.1 -14.6 30.2 33.3 244 320 A M H < S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.754 109.2 53.7 -77.8 -23.9 -12.5 33.1 34.3 245 321 A N H < S+ 0 0 99 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.646 82.5 114.4 -78.9 -14.4 -15.1 35.6 33.2 246 322 A H S >X S- 0 0 27 -4,-1.2 4,-3.3 -3,-0.5 3,-1.0 -0.394 74.6-127.7 -63.1 127.6 -17.7 33.8 35.3 247 323 A P H 3> S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.745 105.8 56.7 -48.6 -38.4 -18.9 36.1 38.2 248 324 A W H 34 S+ 0 0 4 2,-0.2 6,-0.1 1,-0.2 -4,-0.1 0.931 119.8 30.7 -61.5 -46.5 -18.2 33.5 40.9 249 325 A I H <4 S+ 0 0 2 -3,-1.0 3,-0.4 -6,-0.3 -1,-0.2 0.918 120.9 51.0 -75.4 -47.6 -14.6 33.3 39.9 250 326 A M H < S+ 0 0 98 -4,-3.3 2,-0.6 1,-0.3 3,-0.2 0.852 114.6 45.7 -62.3 -36.3 -14.2 36.8 38.6 251 327 A Q < + 0 0 87 -4,-2.7 -1,-0.3 -5,-0.3 -137,-0.1 -0.735 56.7 141.3-112.9 81.1 -15.6 38.3 41.8 252 328 A S S > S+ 0 0 21 -2,-0.6 3,-0.7 -3,-0.4 -1,-0.2 0.654 76.3 62.4 -82.4 -22.5 -14.0 36.5 44.8 253 329 A T T 3 S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.665 111.1 37.4 -74.3 -18.5 -13.9 40.0 46.5 254 330 A K T 3 S+ 0 0 81 -6,-0.1 -1,-0.2 -143,-0.0 -2,-0.1 -0.406 93.4 116.0-130.0 55.5 -17.8 40.1 46.3 255 331 A V S < S- 0 0 21 -3,-0.7 -144,-0.1 -6,-0.0 -3,-0.1 -0.898 71.1 -86.3-121.5 151.5 -18.8 36.4 47.0 256 332 A P - 0 0 68 0, 0.0 -145,-0.6 0, 0.0 2,-0.3 -0.245 20.8-144.4 -51.1 137.7 -20.7 34.7 49.9 257 333 A Q + 0 0 167 -147,-0.2 0, 0.0 -146,-0.1 0, 0.0 -0.385 44.3 158.9 -93.1 48.9 -18.7 33.7 53.0 258 334 A T - 0 0 33 -2,-0.3 -148,-2.4 1,-0.1 2,-0.1 -0.650 38.7-125.7 -83.1 120.9 -21.1 30.7 53.3 259 335 A P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -42,-0.1 -0.421 24.3-168.5 -70.7 141.5 -19.5 27.9 55.4 260 336 A L - 0 0 40 -2,-0.1 2,-0.7 -73,-0.1 3,-0.4 -0.941 27.1-127.5-125.8 151.8 -19.1 24.3 54.0 261 337 A H > + 0 0 66 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.249 66.8 123.7 -95.2 47.3 -18.2 21.2 56.0 262 338 A T H > S+ 0 0 9 -2,-0.7 4,-2.8 2,-0.2 5,-0.3 0.943 72.0 50.8 -70.9 -51.8 -15.3 20.1 53.7 263 339 A S H > S+ 0 0 54 -3,-0.4 4,-2.1 1,-0.2 5,-0.2 0.888 110.8 52.7 -53.4 -42.1 -12.6 20.0 56.4 264 340 A R H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 111.8 44.4 -57.1 -48.0 -15.0 17.9 58.4 265 341 A V H X S+ 0 0 39 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.880 111.7 50.4 -69.3 -41.6 -15.5 15.4 55.5 266 342 A L H < S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 112.1 48.1 -64.6 -44.1 -11.8 15.1 54.5 267 343 A K H < S+ 0 0 73 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.855 113.3 52.3 -60.5 -35.5 -10.9 14.4 58.1 268 344 A E H < 0 0 162 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.994 360.0 360.0 -60.0 -64.9 -13.8 11.9 58.0 269 345 A D < 0 0 170 -4,-3.0 -3,-0.1 -79,-0.1 -78,-0.1 0.602 360.0 360.0 -84.8 360.0 -12.7 9.9 54.9