==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-09 3FPM . COMPND 2 MOLECULE: MAP KINASE-ACTIVATED PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.D.PARRIS . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 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 0.7 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 . 1 0.4 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 . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 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 . 1 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 44 A P 0 0 185 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.1 214.4 115.6 179.5 2 45 A Q - 0 0 158 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.981 360.0-178.2-119.7 129.2 217.0 113.0 180.4 3 46 A F - 0 0 175 -2,-0.4 2,-0.4 2,-0.1 0, 0.0 -0.824 11.7-157.1-136.8 89.3 216.1 109.3 179.8 4 47 A H + 0 0 159 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.558 29.0 152.4 -74.4 120.4 218.7 106.6 180.9 5 48 A V - 0 0 107 -2,-0.4 2,-0.2 0, 0.0 -2,-0.1 -0.991 25.6-155.6-151.4 139.6 218.2 103.4 178.9 6 49 A K - 0 0 158 -2,-0.3 2,-0.1 1,-0.1 64,-0.0 -0.630 33.2 -83.6-110.9 171.7 220.4 100.5 177.8 7 50 A S - 0 0 102 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.332 38.3-123.6 -74.2 153.1 220.2 97.9 175.0 8 51 A G - 0 0 58 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.355 46.5 -70.7 -85.2 174.3 218.3 94.7 175.1 9 52 A L - 0 0 39 -2,-0.1 2,-0.8 54,-0.1 -1,-0.1 -0.574 46.0-164.9 -75.1 111.8 219.7 91.2 174.6 10 53 A Q - 0 0 146 -2,-0.7 2,-1.0 -3,-0.0 70,-0.6 -0.868 5.5-156.9 -98.1 107.5 220.6 90.7 170.9 11 54 A I E -a 80 0A 48 -2,-0.8 70,-0.2 68,-0.1 2,-0.1 -0.759 15.8-145.4 -87.3 101.7 221.2 87.0 170.2 12 55 A K E -a 81 0A 64 68,-2.3 70,-2.4 -2,-1.0 4,-0.1 -0.443 12.8-165.5 -71.1 139.9 223.5 87.0 167.2 13 56 A K + 0 0 139 68,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.645 55.1 96.4-103.6 -20.2 222.9 84.1 164.7 14 57 A N S S- 0 0 64 1,-0.1 68,-0.1 69,-0.1 2,-0.1 -0.236 90.8 -77.4 -67.9 161.2 226.0 84.3 162.5 15 58 A A > - 0 0 38 1,-0.1 3,-1.4 66,-0.1 4,-0.5 -0.352 31.6-137.3 -63.3 135.9 229.0 82.0 163.2 16 59 A I G >> S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 3,-0.9 0.779 99.1 73.0 -64.8 -26.7 231.2 83.2 166.1 17 60 A I G 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.680 88.3 62.9 -63.8 -19.3 234.3 82.4 164.0 18 61 A D G <4 S+ 0 0 93 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.892 118.1 24.4 -66.6 -42.0 233.5 85.5 161.9 19 62 A D T <4 S+ 0 0 53 -3,-0.9 22,-2.0 -4,-0.5 23,-0.5 0.665 125.1 41.3-100.8 -22.6 233.9 87.8 164.9 20 63 A Y E < -B 40 0A 6 -4,-2.6 2,-0.6 20,-0.2 20,-0.2 -0.978 65.4-133.0-136.4 142.6 236.2 85.9 167.2 21 64 A K E -B 39 0A 126 18,-3.1 18,-2.5 -2,-0.4 2,-0.6 -0.840 31.1-148.5 -87.6 122.2 239.3 83.6 167.1 22 65 A V E -B 38 0A 51 -2,-0.6 16,-0.2 16,-0.2 2,-0.1 -0.857 12.0-162.0-103.0 119.7 238.6 80.6 169.3 23 66 A T E - 0 0 32 14,-1.6 13,-0.0 -2,-0.6 -1,-0.0 -0.289 28.1-124.2 -88.0 175.1 241.5 78.9 171.1 24 67 A S E S+ 0 0 120 -2,-0.1 2,-0.4 12,-0.1 14,-0.1 0.088 73.7 119.6-103.5 18.9 241.7 75.4 172.6 25 68 A Q E - 0 0 98 12,-0.3 12,-1.8 2,-0.0 2,-0.3 -0.749 54.8-145.2 -88.6 129.6 242.7 77.0 176.0 26 69 A V E +B 36 0A 74 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.718 28.5 167.4 -96.2 141.8 240.3 76.2 178.9 27 70 A L E S+ 0 0 72 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.355 72.8 19.3-125.1 -5.8 239.5 78.7 181.7 28 71 A G E -B 35 0A 23 7,-1.3 7,-2.8 2,-0.0 -1,-0.4 -0.926 57.9-164.8-168.0 140.2 236.5 76.8 183.2 29 72 A L E +B 34 0A 141 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 18.8 148.3-130.2 146.6 235.0 73.3 183.3 30 73 A G - 0 0 44 3,-1.5 -2,-0.0 -2,-0.3 5,-0.0 -0.910 56.8 -96.2-156.7-178.0 231.5 72.0 184.4 31 74 A I S S+ 0 0 180 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.777 120.8 50.9 -77.5 -27.8 228.9 69.3 183.7 32 75 A N S S- 0 0 90 1,-0.2 21,-0.5 20,-0.0 2,-0.3 0.667 124.1 -62.4 -86.2 -19.7 227.0 71.7 181.5 33 76 A G - 0 0 30 19,-0.1 -3,-1.5 2,-0.0 2,-0.3 -0.985 56.6 -68.2 168.4-158.0 229.9 72.8 179.2 34 77 A K E -B 29 0A 21 17,-0.4 17,-2.2 -2,-0.3 2,-0.5 -0.855 21.8-138.5-126.5 159.4 233.2 74.5 178.9 35 78 A V E -BC 28 50A 33 -7,-2.8 -8,-3.3 -2,-0.3 -7,-1.3 -0.976 29.2-176.0-119.9 116.5 234.7 78.0 179.2 36 79 A L E -BC 26 49A 24 13,-2.4 13,-3.1 -2,-0.5 2,-0.5 -0.702 27.6-113.5-110.3 159.5 237.3 78.9 176.6 37 80 A Q E - C 0 48A 9 -12,-1.8 -14,-1.6 -2,-0.2 -12,-0.3 -0.810 39.4-179.3 -91.2 129.7 239.6 81.9 175.9 38 81 A I E -BC 22 47A 0 9,-3.0 9,-2.5 -2,-0.5 2,-0.4 -0.912 18.8-139.5-129.5 157.1 238.8 83.8 172.8 39 82 A F E -BC 21 46A 52 -18,-2.5 -18,-3.1 -2,-0.3 2,-0.5 -0.958 21.0-121.7-119.8 135.0 240.2 86.8 170.9 40 83 A N E > -B 20 0A 18 5,-2.0 4,-2.7 -2,-0.4 -20,-0.2 -0.619 18.0-147.7 -71.6 118.7 238.2 89.6 169.2 41 84 A K T 4 S+ 0 0 119 -22,-2.0 -1,-0.2 -2,-0.5 -21,-0.1 0.842 94.5 40.7 -56.2 -37.6 239.3 89.7 165.5 42 85 A R T 4 S+ 0 0 214 -23,-0.5 -1,-0.2 1,-0.1 -22,-0.1 0.957 128.5 25.4 -78.5 -55.0 238.8 93.4 165.3 43 86 A T T 4 S- 0 0 58 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.658 92.0-138.9 -89.3 -19.6 240.2 94.7 168.6 44 87 A Q < + 0 0 138 -4,-2.7 2,-0.2 1,-0.2 -3,-0.1 0.641 53.3 138.2 72.5 19.9 242.6 91.8 169.3 45 88 A E - 0 0 96 -5,-0.2 -5,-2.0 1,-0.1 -1,-0.2 -0.580 56.2 -92.4-103.9 162.6 241.7 91.6 173.0 46 89 A K E +C 39 0A 92 -7,-0.2 51,-0.7 -2,-0.2 2,-0.3 -0.391 44.6 167.8 -77.0 140.2 241.0 88.7 175.4 47 90 A F E -CD 38 96A 21 -9,-2.5 -9,-3.0 49,-0.2 2,-0.4 -0.958 29.7-122.3-144.7 163.5 237.6 87.3 176.1 48 91 A A E -CD 37 95A 8 47,-3.4 47,-3.1 -2,-0.3 2,-0.5 -0.895 18.7-156.3-109.4 139.9 235.9 84.3 177.8 49 92 A L E -CD 36 94A 3 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.6 -0.936 3.6-166.6-122.1 111.1 233.5 82.0 176.0 50 93 A K E -CD 35 93A 30 43,-2.4 43,-2.9 -2,-0.5 2,-0.5 -0.851 10.7-157.6 -95.8 120.0 230.9 80.0 177.9 51 94 A M E + D 0 92A 40 -17,-2.2 -17,-0.4 -2,-0.6 2,-0.3 -0.868 17.6 169.5-102.0 124.8 229.3 77.2 175.7 52 95 A L E - D 0 91A 17 39,-2.7 39,-2.8 -2,-0.5 2,-0.3 -0.965 40.2-105.0-130.8 149.5 225.9 75.9 176.7 53 96 A Q E - D 0 90A 66 -21,-0.5 2,-1.5 -2,-0.3 37,-0.3 -0.584 46.7-108.9 -70.9 132.1 223.4 73.6 175.0 54 97 A D + 0 0 18 35,-1.2 35,-0.2 -2,-0.3 -1,-0.1 -0.475 61.4 144.0 -75.5 88.6 220.5 75.7 173.8 55 98 A C >> - 0 0 56 -2,-1.5 4,-2.0 1,-0.0 3,-1.1 -0.894 63.5-108.9-117.2 152.3 217.5 74.9 176.0 56 99 A P H 3> S+ 0 0 85 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.763 118.8 60.9 -51.4 -29.1 214.9 77.4 177.2 57 100 A K H 3> S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.912 107.2 43.7 -62.3 -45.3 216.4 77.2 180.7 58 101 A A H <> S+ 0 0 5 -3,-1.1 4,-2.5 -5,-0.2 5,-0.2 0.920 107.6 58.4 -66.9 -45.9 219.7 78.5 179.5 59 102 A R H X S+ 0 0 71 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.792 109.7 45.5 -55.3 -31.8 218.1 81.2 177.3 60 103 A R H X S+ 0 0 147 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.859 109.4 53.9 -78.8 -38.8 216.5 82.6 180.5 61 104 A E H X S+ 0 0 25 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.851 109.4 49.3 -63.3 -36.5 219.7 82.3 182.5 62 105 A V H X S+ 0 0 7 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.913 108.1 53.7 -65.9 -44.6 221.5 84.4 179.9 63 106 A E H X S+ 0 0 111 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.837 109.8 48.2 -59.0 -35.3 218.8 87.0 179.9 64 107 A L H X S+ 0 0 16 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.889 113.5 46.3 -73.2 -40.8 219.2 87.3 183.7 65 108 A H H X S+ 0 0 9 -4,-1.9 4,-1.4 2,-0.2 12,-0.2 0.923 111.9 51.1 -65.3 -46.6 223.0 87.6 183.4 66 109 A W H < S+ 0 0 52 -4,-3.4 3,-0.4 1,-0.3 4,-0.2 0.892 111.3 48.6 -56.0 -42.3 222.6 90.2 180.6 67 110 A R H < S+ 0 0 105 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.3 0.781 114.3 46.9 -67.6 -28.4 220.2 92.1 182.8 68 111 A A H >< S+ 0 0 0 -4,-1.2 3,-2.0 -3,-0.2 -2,-0.2 0.606 86.3 89.4 -88.3 -15.0 222.8 91.8 185.6 69 112 A S T 3< + 0 0 2 -4,-1.4 -1,-0.2 -3,-0.4 5,-0.1 0.647 70.0 75.8 -63.1 -16.5 225.8 92.9 183.5 70 113 A Q T 3 S+ 0 0 58 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.528 77.2 95.1 -71.3 -6.6 225.3 96.6 184.3 71 114 A C S X S- 0 0 6 -3,-2.0 3,-2.2 1,-0.1 59,-0.0 -0.804 74.2-141.6 -93.4 123.3 226.7 95.8 187.8 72 115 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.692 101.0 50.4 -51.5 -27.1 230.5 96.6 188.2 73 116 A H T 3 S+ 0 0 28 56,-0.1 89,-2.7 88,-0.1 2,-0.5 0.281 96.1 82.0-102.1 11.0 231.0 93.5 190.4 74 117 A I B < S-f 162 0B 0 -3,-2.2 89,-0.2 87,-0.3 87,-0.0 -0.964 93.3-103.8-113.9 131.1 229.3 91.0 188.0 75 118 A V - 0 0 4 87,-1.6 2,-0.3 -2,-0.5 -4,-0.1 -0.297 46.0-123.2 -51.1 126.6 231.2 89.5 185.1 76 119 A R - 0 0 106 -4,-0.1 20,-1.5 -6,-0.1 2,-0.4 -0.612 11.1-139.4 -87.1 132.5 229.9 91.4 182.0 77 120 A I E + E 0 95A 3 -2,-0.3 18,-0.2 -12,-0.2 3,-0.1 -0.755 23.1 173.6 -84.5 134.7 228.3 89.8 179.0 78 121 A V E + 0 0 54 16,-3.6 2,-0.3 1,-0.4 17,-0.2 0.798 62.6 5.5-108.1 -50.5 229.4 91.3 175.7 79 122 A D E - E 0 94A 27 15,-0.9 15,-3.5 -70,-0.0 -1,-0.4 -0.969 54.9-156.9-137.7 151.8 227.9 89.1 173.0 80 123 A V E -aE 11 93A 2 -70,-0.6 -68,-2.3 -2,-0.3 2,-0.4 -0.977 14.5-169.9-132.6 121.4 225.6 86.1 172.8 81 124 A Y E -aE 12 92A 0 11,-3.0 11,-3.1 -2,-0.4 2,-0.6 -0.887 16.0-157.7-112.6 139.0 225.6 83.7 169.9 82 125 A E E + E 0 91A 44 -70,-2.4 2,-0.2 -2,-0.4 9,-0.2 -0.946 36.0 156.6-111.0 106.7 223.2 81.0 168.9 83 126 A N E - E 0 90A 22 7,-1.9 7,-1.7 -2,-0.6 2,-0.8 -0.752 47.1-103.8-125.5 170.2 225.1 78.6 166.6 84 127 A L E + E 0 89A 145 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.870 40.0 173.5 -99.6 106.3 225.1 75.0 165.5 85 128 A Y E > - E 0 88A 162 3,-1.4 3,-0.6 -2,-0.8 2,-0.3 -0.952 66.0 -22.7-116.0 137.1 227.8 72.9 167.2 86 129 A A T 3 S- 0 0 103 -2,-0.4 -2,-0.0 1,-0.2 3,-0.0 -0.565 121.1 -50.8 57.4-123.6 228.0 69.2 166.6 87 130 A G T 3 S+ 0 0 72 -2,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.603 121.0 87.8-107.1 -22.3 224.4 68.5 165.6 88 131 A R E < S- E 0 85A 61 -3,-0.6 -3,-1.4 1,-0.1 2,-0.2 -0.346 80.8-112.9 -78.4 154.5 222.8 70.3 168.5 89 132 A K E - E 0 84A 95 -5,-0.2 -35,-1.2 -35,-0.2 2,-0.3 -0.500 43.5-175.4 -73.1 154.3 221.8 73.9 168.8 90 133 A C E -DE 53 83A 11 -7,-1.7 -7,-1.9 -37,-0.3 2,-0.4 -0.992 26.5-124.1-159.0 151.5 223.9 75.9 171.4 91 134 A L E -DE 52 82A 3 -39,-2.8 -39,-2.7 -2,-0.3 2,-0.5 -0.771 18.0-161.9 -95.3 138.4 224.4 79.2 173.2 92 135 A L E -DE 51 81A 11 -11,-3.1 -11,-3.0 -2,-0.4 2,-0.5 -0.948 6.2-163.2-125.2 108.6 227.7 81.0 173.1 93 136 A I E -DE 50 80A 5 -43,-2.9 -43,-2.4 -2,-0.5 2,-0.6 -0.813 5.0-154.0 -98.0 125.0 228.2 83.6 175.8 94 137 A V E +DE 49 79A 0 -15,-3.5 -16,-3.6 -2,-0.5 -15,-0.9 -0.886 24.2 170.2-101.0 120.3 231.0 86.2 175.4 95 138 A M E -DE 48 77A 15 -47,-3.1 -47,-3.4 -2,-0.6 2,-0.3 -0.849 43.0 -84.1-127.3 161.5 232.3 87.6 178.6 96 139 A E E -D 47 0A 46 -20,-1.5 2,-0.6 -2,-0.3 -49,-0.2 -0.497 53.7-112.3 -63.3 123.8 235.2 89.8 179.9 97 140 A C - 0 0 18 -51,-0.7 2,-1.0 -2,-0.3 -1,-0.1 -0.482 29.6-163.2 -67.0 109.6 238.2 87.5 180.4 98 141 A L + 0 0 20 -2,-0.6 3,-0.3 1,-0.1 54,-0.2 -0.815 23.3 159.8 -95.8 96.1 238.8 87.3 184.1 99 142 A D + 0 0 74 53,-1.7 53,-0.2 -2,-1.0 54,-0.2 0.083 45.2 101.5-104.6 21.8 242.4 86.0 184.4 100 143 A G S S- 0 0 3 51,-2.2 52,-0.2 52,-0.5 -1,-0.2 0.316 84.4-129.0 -84.9 7.1 243.0 87.2 187.9 101 144 A G - 0 0 31 -3,-0.3 50,-2.2 50,-0.3 -1,-0.2 0.133 41.5 -36.3 70.2 173.1 242.3 83.7 189.3 102 145 A E B > -G 150 0B 69 48,-0.2 4,-1.6 1,-0.1 48,-0.2 -0.223 59.1-112.5 -64.0 156.7 240.0 82.6 192.1 103 146 A L H > S+ 0 0 0 46,-2.0 4,-1.1 43,-0.7 3,-0.3 0.943 115.1 40.9 -56.1 -56.0 239.5 84.7 195.2 104 147 A F H > S+ 0 0 18 42,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.745 108.4 62.6 -70.0 -24.8 241.2 82.4 197.7 105 148 A S H > S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.918 105.4 45.5 -63.1 -44.7 244.0 81.6 195.3 106 149 A R H < S+ 0 0 64 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.736 111.2 52.2 -74.6 -25.2 245.1 85.2 195.2 107 150 A I H < S+ 0 0 5 -4,-1.1 3,-0.4 -5,-0.2 -1,-0.2 0.839 117.9 39.6 -72.6 -35.0 244.9 85.6 199.0 108 151 A Q H >< S+ 0 0 53 -4,-1.7 2,-0.9 1,-0.2 3,-0.8 0.846 108.7 59.9 -82.8 -39.2 247.1 82.4 199.2 109 152 A D T 3< S+ 0 0 121 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.241 77.2 99.3 -85.9 46.3 249.4 83.2 196.3 110 153 A R T 3 S- 0 0 78 -2,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.638 88.7-128.0 -98.4 -20.0 250.6 86.4 198.0 111 154 A G < - 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0 0 31 1,-0.1 4,-0.7 0, 0.0 3,-0.6 -0.526 19.0-123.8 -84.7 149.3 203.0 95.3 203.9 181 232 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.664 109.7 62.2 -65.8 -17.9 205.5 93.4 201.7 182 233 A E T 34 S+ 0 0 155 1,-0.2 3,-0.1 4,-0.0 5,-0.0 0.879 100.9 50.5 -72.1 -41.5 203.8 90.1 202.5 183 234 A V T <4 S+ 0 0 107 -3,-0.6 2,-1.6 1,-0.2 -1,-0.2 0.683 92.5 84.1 -70.0 -19.1 200.6 91.2 200.8 184 235 A L S < S- 0 0 115 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.0 -0.421 111.2 -66.0 -85.8 60.8 202.6 92.2 197.8 185 236 A G - 0 0 46 -2,-1.6 -1,-0.2 -3,-0.1 2,-0.2 0.281 65.1 -69.8 77.4 157.7 202.8 88.7 196.1 186 237 A P + 0 0 123 0, 0.0 2,-0.3 0, 0.0 -13,-0.1 -0.491 42.7 176.7 -87.2 152.8 204.4 85.4 197.2 187 238 A E - 0 0 99 -2,-0.2 -15,-0.1 -15,-0.1 -16,-0.1 -0.966 15.6-145.0-154.3 138.5 208.1 84.5 197.3 188 239 A K - 0 0 76 -2,-0.3 3,-0.2 -17,-0.1 -17,-0.0 0.169 47.1 -72.1 -83.3-156.4 210.0 81.4 198.4 189 240 A Y S > S+ 0 0 58 1,-0.1 3,-1.4 2,-0.1 2,-0.2 1.000 87.0 115.2 -65.6 -73.6 213.5 81.1 200.2 190 241 A D T >> S+ 0 0 39 1,-0.3 3,-2.3 2,-0.2 4,-0.7 -0.142 71.1 45.2 50.9-101.1 215.8 82.1 197.3 191 242 A K H >> S+ 0 0 43 1,-0.3 4,-1.0 -2,-0.2 3,-0.6 0.731 105.5 65.1 -47.1 -32.3 217.6 85.4 198.2 192 243 A S H <> S+ 0 0 31 -3,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.805 93.9 58.5 -63.7 -33.2 218.3 84.1 201.7 193 244 A C H <> S+ 0 0 48 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.760 100.5 56.7 -72.5 -25.4 220.6 81.3 200.5 194 245 A D H S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 5,-0.6 0.954 112.4 44.0 -62.3 -51.9 234.3 82.9 207.7 204 255 A I H <5S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 111.4 57.5 -63.2 -32.6 236.7 81.3 205.3 205 256 A L H <5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.889 111.2 39.9 -62.5 -42.5 238.1 84.8 204.5 206 257 A L H <5S+ 0 0 6 -4,-1.8 72,-0.5 -3,-0.3 71,-0.3 0.946 132.9 14.5 -79.0 -51.2 239.0 85.5 208.1 207 258 A C T <5S- 0 0 3 -4,-2.0 74,-0.3 2,-0.2 -3,-0.2 0.928 96.8-115.3 -91.4 -56.2 240.4 82.3 209.5 208 259 A G S 0 0 88 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 53.8 227.2 63.7 209.6 215 275 A M H > + 0 0 95 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.770 360.0 65.3 -77.2 -29.1 228.5 67.1 208.4 216 276 A K H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.667 103.5 49.9 -62.4 -18.1 225.2 67.7 206.7 217 277 A T H > S+ 0 0 85 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.850 101.5 57.8 -88.3 -41.9 223.8 67.7 210.3 218 278 A R H X>S+ 0 0 99 -4,-1.1 5,-1.9 1,-0.2 4,-1.0 0.779 109.2 48.5 -60.0 -28.8 226.3 70.2 211.8 219 279 A I H <5S+ 0 0 59 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.911 111.3 47.9 -73.0 -47.5 225.1 72.7 209.1 220 280 A R H <5S+ 0 0 69 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.678 112.8 51.1 -67.9 -19.2 221.5 72.0 209.9 221 281 A M H <5S- 0 0 123 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.788 103.5-133.0 -82.0 -33.5 222.3 72.4 213.6 222 282 A G T <5 + 0 0 24 -4,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.825 51.8 151.9 77.0 35.8 224.1 75.8 213.1 223 283 A Q < + 0 0 88 -5,-1.9 2,-0.3 2,-0.0 -1,-0.2 -0.895 4.5 140.6-107.6 118.3 227.0 74.6 215.2 224 284 A Y - 0 0 37 -2,-0.6 2,-0.1 -3,-0.1 -12,-0.1 -0.970 37.4-135.1-153.3 133.8 230.5 76.1 214.5 225 285 A E - 0 0 132 -2,-0.3 -2,-0.0 -14,-0.3 0, 0.0 -0.416 9.7-141.4 -80.9 162.5 233.3 77.2 216.8 226 286 A F - 0 0 28 -2,-0.1 2,-0.1 -19,-0.0 -1,-0.0 -0.661 40.8-166.8-111.5 70.4 235.3 80.3 216.6 227 287 A P >> - 0 0 51 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.322 13.5 -88.0 -77.5 142.2 238.4 78.4 217.6 228 288 A N T 34 S+ 0 0 106 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.329 93.7 33.2 -82.7 165.5 241.7 80.1 218.7 229 289 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 -0.880 124.7 48.5 -89.9 25.4 244.3 81.4 218.1 230 290 A E T X4 S+ 0 0 51 -3,-0.8 3,-0.9 2,-0.1 4,-0.3 0.929 118.3 35.4 -82.9 -53.9 242.7 82.5 214.8 231 291 A W T 3< S+ 0 0 1 -4,-1.3 -3,-0.2 1,-0.2 -1,-0.1 0.426 95.6 86.6 -85.5 0.5 239.4 84.0 216.1 232 292 A S T 3 S+ 0 0 54 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 0.654 93.0 46.2 -71.5 -16.4 241.1 85.3 219.3 233 293 A E S < S+ 0 0 113 -3,-0.9 2,-0.2 -4,-0.1 -1,-0.2 0.685 92.0 92.1 -97.8 -24.3 242.0 88.5 217.3 234 294 A V S S- 0 0 13 -4,-0.3 42,-0.0 1,-0.1 -4,-0.0 -0.531 79.3-114.2 -78.3 138.5 238.6 89.2 215.6 235 295 A S > - 0 0 47 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.169 18.2-114.9 -70.5 162.8 236.2 91.5 217.4 236 296 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.843 113.2 61.6 -64.6 -36.9 232.8 90.5 218.8 237 297 A E H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.904 104.4 47.0 -55.2 -48.0 231.0 92.7 216.3 238 298 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 111.9 49.3 -64.8 -44.7 232.4 90.8 213.3 239 299 A K H X S+ 0 0 27 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.864 108.5 54.1 -63.1 -37.7 231.5 87.4 214.8 240 300 A M H X S+ 0 0 73 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.808 107.8 51.0 -66.1 -31.9 228.0 88.6 215.5 241 301 A L H X S+ 0 0 2 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.921 110.9 46.8 -69.4 -46.8 227.6 89.6 211.9 242 302 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.918 111.3 53.2 -58.7 -44.9 228.8 86.1 210.8 243 303 A R H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.8 48.9 -56.8 -41.5 226.3 84.7 213.3 244 304 A N H >< S+ 0 0 52 -4,-1.7 10,-1.6 1,-0.2 3,-0.6 0.803 114.6 45.2 -68.4 -31.3 223.5 86.8 211.8 245 305 A L H 3< S+ 0 0 0 -4,-1.8 -46,-0.3 1,-0.2 -2,-0.2 0.656 110.2 56.5 -84.3 -19.4 224.5 85.6 208.3 246 306 A L T 3< S+ 0 0 4 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 -0.197 73.6 144.1-106.6 40.8 224.8 82.0 209.5 247 307 A K < - 0 0 59 -3,-0.6 6,-0.1 1,-0.1 -25,-0.1 -0.647 47.2-144.5 -77.2 133.0 221.3 81.6 210.9 248 308 A T S S+ 0 0 70 -2,-0.3 -1,-0.1 -27,-0.1 -26,-0.1 0.926 86.5 71.5 -60.8 -47.6 219.8 78.2 210.4 249 309 A E S >> S- 0 0 102 1,-0.2 3,-1.2 -3,-0.1 4,-0.8 -0.621 75.1-150.4 -76.4 120.5 216.4 79.6 209.8 250 310 A P G >4 S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.884 98.1 54.4 -56.3 -41.9 216.2 81.4 206.4 251 311 A T G 34 S+ 0 0 125 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.635 109.2 49.3 -70.2 -15.9 213.6 83.8 207.7 252 312 A Q G <4 S+ 0 0 124 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.585 88.7 107.0 -93.1 -15.3 215.9 84.7 210.6 253 313 A R S << S- 0 0 30 -3,-0.9 -8,-0.2 -4,-0.8 -9,-0.1 -0.471 81.9 -97.2 -75.4 134.9 218.9 85.3 208.3 254 314 A M - 0 0 23 -10,-1.6 2,-0.2 -2,-0.2 -1,-0.1 -0.107 37.0-124.4 -48.2 135.1 220.1 88.9 207.7 255 315 A T > - 0 0 71 1,-0.1 4,-2.1 -3,-0.1 3,-0.5 -0.509 20.9-113.7 -81.3 155.2 218.8 90.6 204.5 256 316 A I H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.827 117.2 56.6 -57.3 -35.8 221.3 92.1 202.0 257 317 A T H > S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.881 109.7 45.2 -64.3 -40.1 220.0 95.6 202.7 258 318 A E H > S+ 0 0 106 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.846 110.7 55.4 -70.0 -36.3 220.8 95.1 206.4 259 319 A F H < S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 6,-0.3 0.927 109.1 44.8 -61.9 -48.5 224.2 93.6 205.5 260 320 A M H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 111.4 54.8 -70.4 -26.1 225.3 96.6 203.4 261 321 A N H < S+ 0 0 103 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.737 82.7 110.3 -76.5 -25.2 224.0 99.0 206.1 262 322 A H S >X S- 0 0 35 -4,-1.2 4,-3.2 -3,-0.5 3,-1.0 -0.271 76.5-123.9 -58.5 133.8 226.2 97.3 208.8 263 323 A P H 3> S+ 0 0 72 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.796 108.1 55.3 -47.3 -43.9 229.1 99.5 210.1 264 324 A W H 34 S+ 0 0 5 2,-0.2 7,-0.2 1,-0.2 6,-0.2 0.867 118.7 34.7 -61.0 -37.7 231.8 96.9 209.3 265 325 A I H X4 S+ 0 0 0 -3,-1.0 3,-0.5 -6,-0.3 -1,-0.2 0.914 120.5 46.3 -81.9 -48.9 230.7 96.8 205.7 266 326 A M H 3< S+ 0 0 100 -4,-3.2 2,-0.9 1,-0.3 3,-0.2 0.881 116.1 47.0 -64.2 -40.4 229.6 100.4 205.2 267 327 A Q T >X + 0 0 109 -4,-2.7 3,-1.1 -5,-0.3 4,-0.6 -0.623 65.4 155.9-102.0 70.7 232.8 101.7 206.9 268 328 A S T <4 S+ 0 0 13 -2,-0.9 -146,-0.2 -3,-0.5 -1,-0.2 0.675 75.4 52.3 -67.4 -17.7 235.4 99.5 205.0 269 329 A T T 34 S+ 0 0 114 -3,-0.2 -1,-0.3 1,-0.1 -5,-0.0 -0.174 103.2 55.6-113.8 37.0 238.0 102.2 205.7 270 330 A K T <4 S+ 0 0 61 -3,-1.1 -2,-0.2 -6,-0.2 -1,-0.1 0.404 76.4 107.4-139.4 -15.2 237.5 102.4 209.5 271 331 A V S < S- 0 0 8 -4,-0.6 -153,-0.1 -7,-0.2 -150,-0.0 -0.539 83.4 -94.0 -71.2 131.0 238.0 98.8 210.6 272 332 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -154,-0.3 -0.097 28.4-127.3 -45.1 140.6 241.3 98.1 212.5 273 333 A Q + 0 0 125 -156,-0.2 -157,-0.0 -157,-0.1 -2,-0.0 -0.111 50.2 157.3 -89.4 36.7 244.1 96.9 210.2 274 334 A T - 0 0 35 -2,-0.4 -157,-2.1 -158,-0.1 -156,-0.1 -0.444 41.8-115.4 -68.5 130.4 244.8 93.8 212.4 275 335 A P E -I 116 0C 76 0, 0.0 2,-0.3 0, 0.0 -159,-0.2 -0.247 25.6-151.3 -67.8 151.9 246.6 90.9 210.5 276 336 A L E -I 115 0C 8 -161,-1.4 -161,-1.1 1,-0.0 3,-0.2 -0.816 19.9-134.7-120.8 161.7 245.1 87.5 209.9 277 337 A H >> + 0 0 64 -71,-0.3 4,-1.5 -2,-0.3 3,-0.7 0.340 68.5 119.0 -94.7 5.8 246.6 84.0 209.5 278 338 A T H 3> + 0 0 0 -72,-0.5 4,-1.5 -163,-0.3 3,-0.4 0.807 68.8 50.2 -41.2 -56.8 244.3 83.2 206.5 279 339 A S H 3> S+ 0 0 0 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.867 109.5 50.7 -56.6 -44.5 247.0 82.7 203.8 280 340 A R H <4 S+ 0 0 113 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.862 107.9 54.3 -60.6 -38.2 249.1 80.2 205.9 281 341 A V H < S+ 0 0 40 -4,-1.5 4,-0.4 -3,-0.4 3,-0.2 0.821 100.4 58.6 -69.3 -35.0 246.0 78.1 206.7 282 342 A L H < S+ 0 0 32 -4,-1.5 2,-1.8 1,-0.2 3,-0.3 0.777 87.2 77.4 -67.7 -28.1 245.0 77.6 203.0 283 343 A K S < S+ 0 0 103 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 -0.255 88.0 63.4 -79.5 50.8 248.3 76.0 202.2 284 344 A E 0 0 145 -2,-1.8 -1,-0.2 -3,-0.2 -2,-0.1 0.563 360.0 360.0-133.6 -60.2 247.2 72.7 203.8 285 345 A D 0 0 205 -4,-0.4 -1,-0.2 -3,-0.3 0, 0.0 -0.278 360.0 360.0 -70.6 360.0 244.2 70.9 202.2