==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-09 3HUB . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,D.RAUH . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 1 0.3 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 0 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A E 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.5 42.8 -16.6 -27.6 2 5 A R - 0 0 87 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.264 360.0-115.8 -52.7 132.1 42.1 -13.6 -25.3 3 6 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.251 30.1 -96.0 -63.6 164.5 41.6 -10.4 -27.3 4 7 A T - 0 0 87 1,-0.0 15,-2.6 0, 0.0 16,-0.2 -0.714 44.8-155.7 -73.3 127.3 44.0 -7.4 -27.1 5 8 A F E -A 18 0A 23 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.594 3.7-152.8 -98.2 162.8 42.5 -4.9 -24.7 6 9 A Y E -A 17 0A 59 11,-2.0 11,-1.6 -2,-0.2 2,-0.4 -0.978 10.9-132.3-134.4 151.6 43.1 -1.2 -24.5 7 10 A R E +A 16 0A 68 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.853 31.4 161.6-101.9 137.5 43.0 1.2 -21.6 8 11 A Q E -A 15 0A 81 7,-2.0 7,-1.6 -2,-0.4 2,-0.2 -0.876 40.5-116.5-157.3 122.5 41.1 4.5 -21.9 9 12 A E E +A 14 0A 135 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.422 45.5 163.4 -64.0 126.8 39.8 6.7 -19.1 10 13 A L E > +A 13 0A 16 3,-3.1 3,-1.2 -2,-0.2 -2,-0.1 -0.991 60.4 0.3-149.1 139.4 36.0 6.9 -19.2 11 14 A N T 3 S- 0 0 75 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.769 128.3 -62.3 50.9 28.1 33.4 8.0 -16.7 12 15 A K T 3 S+ 0 0 192 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.855 121.8 89.5 64.7 37.7 36.3 8.8 -14.3 13 16 A T E < S-A 10 0A 50 -3,-1.2 -3,-3.1 -5,-0.1 2,-0.9 -0.920 87.0-101.8-143.1 161.0 37.5 5.2 -14.2 14 17 A I E -A 9 0A 102 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.764 38.0-157.5 -86.8 102.6 40.0 3.3 -16.4 15 18 A W E -A 8 0A 2 -7,-1.6 -7,-2.0 -2,-0.9 2,-0.4 -0.542 7.0-165.1 -75.5 141.4 38.1 1.1 -18.8 16 19 A E E +A 7 0A 72 -9,-0.2 -9,-0.2 -2,-0.2 -11,-0.0 -0.937 21.3 165.2-129.1 108.7 39.8 -1.8 -20.4 17 20 A V E -A 6 0A 3 -11,-1.6 -11,-2.0 -2,-0.4 -2,-0.0 -0.886 43.8 -93.2-124.2 150.0 37.9 -3.1 -23.4 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.3 -0.304 41.0-114.4 -59.0 149.4 38.7 -5.5 -26.3 19 22 A E T 3 S+ 0 0 104 -15,-2.6 22,-0.1 1,-0.3 -14,-0.1 0.775 109.3 77.7 -63.5 -24.7 39.9 -3.6 -29.3 20 23 A R T 3 S+ 0 0 43 -16,-0.2 21,-2.8 20,-0.1 2,-0.6 0.779 82.1 75.6 -47.6 -34.0 36.8 -4.7 -31.2 21 24 A Y E < S-B 40 0B 0 -3,-1.9 2,-0.3 19,-0.2 19,-0.2 -0.790 72.2-178.6 -91.1 116.5 34.9 -2.0 -29.3 22 25 A Q E +B 39 0B 74 17,-2.9 17,-3.0 -2,-0.6 -2,-0.0 -0.828 46.1 19.3-117.0 150.0 35.7 1.4 -30.8 23 26 A N E - 0 0 129 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.883 69.3-162.2 69.0 47.1 34.7 5.0 -30.1 24 27 A L E + 0 0 10 -3,-0.2 14,-0.2 12,-0.1 -1,-0.2 -0.413 18.5 163.1 -71.7 123.8 33.4 4.8 -26.5 25 28 A S E -B 37 0B 65 12,-1.6 12,-2.9 -2,-0.3 -15,-0.0 -0.993 39.3-105.6-137.8 135.6 31.3 7.7 -25.4 26 29 A P E -B 36 0B 67 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.132 36.7-169.4 -51.7 146.6 28.9 7.8 -22.3 27 30 A V > + 0 0 49 8,-1.6 3,-0.7 1,-0.0 8,-0.4 -0.958 58.1 24.7-138.2 157.3 25.1 7.6 -22.8 28 31 A G G > S- 0 0 38 -2,-0.3 3,-1.7 1,-0.2 5,-0.1 0.406 99.4-104.2 74.7 2.4 21.9 8.1 -20.6 29 32 A S G 3 S- 0 0 134 1,-0.2 -1,-0.2 6,-0.1 5,-0.1 0.854 78.3 -49.2 36.4 54.3 23.8 10.4 -18.2 30 33 A G G < S+ 0 0 57 -3,-0.7 -1,-0.2 3,-0.3 3,-0.2 0.458 110.2 115.7 77.6 2.2 24.1 7.7 -15.4 31 34 A A S < S+ 0 0 79 -3,-1.7 -2,-0.1 1,-0.2 -3,-0.1 0.643 87.6 36.8 -70.8 -14.3 20.4 6.7 -15.5 32 35 A Y S S- 0 0 96 1,-0.5 2,-0.3 -5,-0.3 -1,-0.2 0.436 120.7-102.4-116.6 -5.2 21.6 3.2 -16.7 33 36 A G S S- 0 0 37 -3,-0.2 2,-1.1 -5,-0.1 -1,-0.5 -0.858 77.0 -21.4 111.2-154.8 24.7 2.8 -14.7 34 37 A S S S+ 0 0 26 17,-0.5 17,-2.4 -2,-0.3 2,-0.4 -0.795 87.4 159.4 -94.3 93.1 28.2 3.3 -16.1 35 38 A V E - C 0 50B 13 -2,-1.1 -8,-1.6 -8,-0.4 2,-0.4 -0.942 23.7-171.3-122.8 138.1 27.4 2.9 -19.9 36 39 A C E -BC 26 49B 0 13,-2.1 13,-3.1 -2,-0.4 2,-0.2 -0.990 23.5-128.0-124.8 140.2 29.1 3.8 -23.2 37 40 A A E +BC 25 48B 16 -12,-2.9 -12,-1.6 -2,-0.4 2,-0.3 -0.494 40.1 174.2 -65.7 144.9 27.9 3.6 -26.8 38 41 A A E - C 0 47B 7 9,-1.9 9,-2.4 -14,-0.2 2,-0.6 -0.971 35.0-118.0-150.4 162.8 30.5 1.9 -28.9 39 42 A F E -BC 22 46B 84 -17,-3.0 -17,-2.9 -2,-0.3 2,-1.0 -0.964 23.0-147.4-106.2 122.3 31.0 0.6 -32.4 40 43 A D E >> -BC 21 45B 0 5,-2.9 4,-2.4 -2,-0.6 5,-0.6 -0.781 9.8-168.5 -89.8 104.8 31.5 -3.1 -32.5 41 44 A T T 45S+ 0 0 74 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.798 82.2 59.1 -63.4 -27.1 33.9 -3.7 -35.4 42 45 A K T 45S+ 0 0 149 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.897 121.6 19.4 -72.3 -45.1 33.3 -7.4 -35.3 43 46 A T T 45S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.556 97.6-122.8 -98.1 -18.1 29.5 -7.4 -35.9 44 47 A G T <5 + 0 0 47 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.583 68.5 134.8 79.9 13.4 29.1 -3.9 -37.4 45 48 A L E < -C 40 0B 61 -5,-0.6 -5,-2.9 -6,-0.0 2,-0.5 -0.621 61.7-125.6 -97.8 146.1 26.6 -3.1 -34.6 46 49 A R E -C 39 0B 157 -2,-0.2 59,-2.3 -7,-0.2 2,-0.3 -0.852 44.7-177.3 -86.5 131.6 26.3 -0.0 -32.4 47 50 A V E -CD 38 104B 0 -9,-2.4 -9,-1.9 -2,-0.5 2,-0.5 -0.786 29.9-127.7-132.7 161.8 26.4 -1.4 -28.9 48 51 A A E -CD 37 103B 14 55,-3.1 55,-2.0 -2,-0.3 2,-0.5 -0.985 21.5-159.8-114.8 128.4 26.1 -0.3 -25.2 49 52 A V E -CD 36 102B 0 -13,-3.1 -13,-2.1 -2,-0.5 2,-0.6 -0.920 4.5-161.6-107.7 121.1 29.0 -1.4 -22.9 50 53 A K E -CD 35 101B 52 51,-3.0 51,-2.3 -2,-0.5 2,-0.8 -0.931 7.1-156.3-107.9 120.8 28.2 -1.4 -19.2 51 54 A K E - D 0 100B 21 -17,-2.4 -17,-0.5 -2,-0.6 49,-0.2 -0.894 27.5-129.1 -87.8 109.5 31.1 -1.4 -16.7 52 55 A L - 0 0 15 47,-2.5 2,-0.5 -2,-0.8 47,-0.3 -0.337 21.2-132.5 -58.0 141.8 29.5 -2.9 -13.5 53 56 A S S S- 0 0 84 1,-0.2 -1,-0.1 2,-0.1 45,-0.0 -0.880 72.0 -18.3-106.9 129.5 30.2 -0.7 -10.5 54 57 A R S > S+ 0 0 166 -2,-0.5 3,-1.2 1,-0.1 4,-0.3 0.887 78.8 169.5 52.5 49.1 31.5 -2.1 -7.1 55 58 A P T 3 S+ 0 0 9 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.827 72.5 26.9 -73.0 -29.5 30.3 -5.6 -8.2 56 59 A F T 3 S+ 0 0 22 41,-0.3 -2,-0.1 1,-0.1 266,-0.1 -0.163 86.9 112.3-120.3 32.3 32.0 -7.6 -5.4 57 60 A Q S < S+ 0 0 120 -3,-1.2 2,-0.3 1,-0.1 -1,-0.1 0.818 87.0 2.8 -76.2 -31.9 32.1 -4.9 -2.7 58 61 A S S > S- 0 0 39 -4,-0.3 4,-2.7 -3,-0.2 5,-0.2 -0.888 81.8 -96.7-146.8 171.6 29.5 -6.6 -0.4 59 62 A I H > S+ 0 0 75 -2,-0.3 4,-2.5 1,-0.2 257,-0.1 0.893 124.9 46.9 -61.3 -40.9 27.5 -9.8 -0.3 60 63 A I H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.853 112.4 49.6 -73.9 -37.6 24.5 -8.1 -1.8 61 64 A H H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 113.7 45.9 -58.1 -57.2 26.6 -6.4 -4.5 62 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.902 113.3 49.9 -49.7 -52.3 28.2 -9.8 -5.5 63 66 A K H X S+ 0 0 40 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.870 111.7 48.2 -56.4 -42.6 24.8 -11.5 -5.4 64 67 A R H X S+ 0 0 152 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.795 108.9 52.8 -72.1 -33.4 23.3 -8.8 -7.6 65 68 A T H X S+ 0 0 9 -4,-1.9 4,-2.9 -10,-0.4 5,-0.2 0.924 110.1 49.0 -61.4 -49.1 26.1 -9.0 -10.2 66 69 A Y H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.912 112.9 47.7 -61.9 -42.5 25.7 -12.7 -10.4 67 70 A R H X S+ 0 0 88 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.928 111.1 49.0 -63.2 -50.9 21.9 -12.3 -10.9 68 71 A E H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.942 114.8 46.6 -58.4 -48.1 22.2 -9.6 -13.6 69 72 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.942 113.8 46.6 -57.5 -50.8 24.8 -11.7 -15.5 70 73 A R H X S+ 0 0 50 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.908 113.2 49.0 -63.0 -44.7 22.7 -14.9 -15.2 71 74 A L H X S+ 0 0 15 -4,-2.8 4,-1.6 2,-0.2 3,-0.4 0.930 112.6 46.5 -53.3 -57.2 19.5 -13.2 -16.3 72 75 A L H < S+ 0 0 19 -4,-2.2 11,-0.6 1,-0.2 -2,-0.2 0.863 111.2 52.9 -55.4 -41.8 21.0 -11.5 -19.3 73 76 A K H < S+ 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.795 111.4 47.8 -61.9 -32.2 22.7 -14.8 -20.3 74 77 A H H < S+ 0 0 42 -4,-1.4 2,-0.9 -3,-0.4 231,-0.2 0.762 91.6 87.1 -80.4 -31.3 19.3 -16.5 -20.2 75 78 A M < + 0 0 1 -4,-1.6 2,-0.4 6,-0.1 8,-0.4 -0.661 45.5 159.2 -79.3 104.9 17.3 -14.0 -22.2 76 79 A K + 0 0 158 -2,-0.9 2,-0.3 6,-0.1 5,-0.1 -0.833 30.0 110.9-126.7 91.8 17.6 -14.8 -25.9 77 80 A H B > S-F 80 0C 23 3,-0.5 3,-1.3 -2,-0.4 5,-0.1 -0.979 70.6-119.4-165.8 141.9 14.7 -13.2 -27.7 78 81 A E T 3 S+ 0 0 116 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.746 112.9 45.7 -59.7 -29.8 14.2 -10.3 -30.2 79 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.1 54,-0.1 2,-0.4 0.054 105.7 66.1-105.6 23.8 12.0 -8.3 -27.8 80 83 A V B < S-Fg 77 163C 2 -3,-1.3 -3,-0.5 82,-0.3 2,-0.2 -0.990 90.0-106.4-143.7 133.0 14.1 -8.7 -24.6 81 84 A I + 0 0 20 82,-2.4 2,-0.2 -2,-0.4 -6,-0.1 -0.421 49.7 165.7 -60.5 119.9 17.5 -7.3 -23.9 82 85 A G - 0 0 14 -2,-0.2 2,-0.5 -5,-0.1 22,-0.2 -0.425 37.8 -79.5-116.3-164.2 20.1 -10.1 -24.0 83 86 A L + 0 0 16 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.938 26.0 178.9-110.9 126.9 23.9 -10.1 -24.2 84 87 A L S S- 0 0 20 18,-2.6 2,-0.3 -2,-0.5 19,-0.2 0.793 81.2 -12.2 -78.6 -36.6 26.1 -9.7 -27.3 85 88 A D E -E 102 0B 20 17,-1.3 17,-2.7 249,-0.1 2,-0.3 -0.988 51.4-162.7-157.8 159.3 29.2 -10.1 -25.1 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.954 26.6 160.0-146.1 132.9 30.5 -10.2 -21.5 87 90 A F E -E 100 0B 13 13,-2.2 13,-2.5 -2,-0.3 243,-0.0 -0.969 27.6-159.9-146.5 164.4 34.1 -9.8 -20.6 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.979 27.3-132.8-136.8 145.2 36.7 -9.0 -18.0 89 92 A P S S+ 0 0 16 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 0.471 75.5 113.8 -73.5 4.4 40.3 -7.8 -18.7 90 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.529 53.0-164.4 -85.8 141.8 41.4 -10.5 -16.1 91 94 A R S S+ 0 0 178 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.611 76.1 23.4 -93.6 -17.0 43.4 -13.5 -16.8 92 95 A S S > S- 0 0 36 1,-0.1 4,-1.6 0, 0.0 3,-0.3 -0.918 79.1-107.5-145.2 165.4 42.6 -15.3 -13.5 93 96 A L T >4 S+ 0 0 54 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.949 121.1 55.6 -61.2 -47.5 40.1 -15.5 -10.7 94 97 A E T 34 S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.761 111.3 44.9 -57.0 -24.7 42.7 -13.8 -8.5 95 98 A E T 34 S+ 0 0 92 -3,-0.3 -1,-0.2 2,-0.0 -2,-0.2 0.752 85.3 118.5 -83.0 -27.2 42.7 -10.9 -11.0 96 99 A F << + 0 0 0 -4,-1.6 3,-0.1 -3,-0.5 230,-0.1 -0.194 21.8 127.8 -51.1 108.5 38.9 -10.8 -11.4 97 100 A N + 0 0 97 1,-0.3 2,-0.3 -2,-0.2 -41,-0.3 0.596 59.7 44.2-127.2 -37.9 37.7 -7.4 -10.3 98 101 A D - 0 0 52 -43,-0.1 2,-0.4 -44,-0.1 -1,-0.3 -0.900 54.2-161.5-123.2 148.4 35.5 -5.9 -13.1 99 102 A V - 0 0 0 -2,-0.3 -47,-2.5 -47,-0.3 2,-0.4 -0.975 7.0-164.8-125.8 134.2 32.7 -7.2 -15.4 100 103 A Y E -DE 51 87B 1 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.4 -0.994 3.8-160.5-125.2 129.5 31.5 -5.5 -18.6 101 104 A L E -DE 50 86B 7 -51,-2.3 -51,-3.0 -2,-0.4 2,-0.4 -0.855 3.9-157.6-111.0 138.2 28.3 -6.4 -20.4 102 105 A V E +DE 49 85B 0 -17,-2.7 -18,-2.6 -2,-0.4 -17,-1.3 -0.954 21.2 152.6-120.4 131.4 27.5 -5.6 -24.1 103 106 A T E -D 48 0B 26 -55,-2.0 -55,-3.1 -2,-0.4 -20,-0.1 -0.902 48.1 -63.5-142.7 174.8 24.1 -5.3 -25.7 104 107 A H E -D 47 0B 64 -2,-0.3 2,-1.0 -57,-0.3 -57,-0.3 -0.333 39.4-130.4 -55.9 132.4 22.4 -3.5 -28.6 105 108 A L + 0 0 37 -59,-2.3 -59,-0.2 1,-0.2 -1,-0.1 -0.837 34.3 166.8 -83.0 101.9 22.3 0.2 -28.7 106 109 A M - 0 0 21 -2,-1.0 51,-0.3 50,-0.1 -1,-0.2 0.826 33.0-151.1 -81.3 -39.9 18.6 0.8 -29.4 107 110 A G + 0 0 64 -3,-0.2 2,-0.3 49,-0.1 49,-0.1 0.390 59.3 42.3 92.4 -3.7 19.3 4.4 -28.5 108 111 A A - 0 0 22 47,-0.4 47,-2.3 5,-0.0 2,-0.2 -0.950 66.6-134.5-154.8 169.0 16.0 5.6 -27.2 109 112 A D B -H 154 0C 13 -2,-0.3 3,-0.3 45,-0.3 45,-0.2 -0.652 46.5 -81.3-115.5-178.5 13.2 4.4 -24.9 110 113 A L S >> S+ 0 0 1 43,-1.8 3,-1.8 40,-1.7 4,-1.2 0.902 129.6 46.8 -53.2 -55.0 9.3 4.5 -25.4 111 114 A N H 3> S+ 0 0 63 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.859 106.6 61.5 -45.2 -43.8 8.9 8.2 -24.2 112 115 A N H 34 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.396 113.4 35.1 -66.8 -4.2 11.9 9.2 -26.5 113 116 A I H <4 S+ 0 0 40 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.469 124.0 40.3-125.5 -16.1 9.9 7.9 -29.5 114 117 A V H >< S- 0 0 8 -4,-1.2 3,-1.8 -3,-0.3 -2,-0.2 0.791 71.8-166.0-106.0 -39.1 6.3 9.0 -28.5 115 118 A K T 3< S- 0 0 157 -4,-2.6 3,-0.1 1,-0.3 -3,-0.1 0.852 72.7 -59.9 50.1 47.4 6.7 12.5 -26.9 116 119 A S T 3 S+ 0 0 96 1,-0.2 2,-0.3 -5,-0.1 -1,-0.3 0.665 103.5 135.5 60.0 19.1 3.2 12.5 -25.4 117 120 A Q < - 0 0 132 -3,-1.8 86,-0.3 1,-0.1 -1,-0.2 -0.737 63.5-105.1 -98.9 147.7 1.5 12.2 -28.8 118 121 A K - 0 0 137 -2,-0.3 2,-0.2 84,-0.3 83,-0.2 -0.458 37.7-145.3 -52.5 135.1 -1.3 9.9 -29.9 119 122 A L - 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0 0 40 -2,-1.2 6,-0.2 -3,-0.2 5,-0.1 -0.939 52.7-137.8-106.0 129.1 -9.3 -5.8 -14.6 275 291 A L S S+ 0 0 30 -2,-0.5 2,-0.6 -52,-0.3 -1,-0.1 0.897 90.5 72.3 -50.3 -45.6 -8.9 -5.1 -10.9 276 292 A D S > S- 0 0 14 1,-0.1 3,-2.0 -3,-0.1 4,-0.5 -0.669 74.7-152.3 -79.0 112.7 -8.7 -8.9 -10.1 277 293 A S G > S+ 0 0 23 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.781 92.8 61.0 -60.9 -29.0 -5.3 -10.2 -11.3 278 294 A D G 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.609 103.8 52.6 -66.9 -16.6 -6.7 -13.7 -11.9 279 295 A K G < S+ 0 0 114 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.537 83.3 106.0-102.7 -6.5 -9.1 -12.3 -14.4 280 296 A R S < S- 0 0 8 -3,-0.7 -8,-0.2 -4,-0.5 -93,-0.1 -0.490 79.7-102.1 -70.7 140.3 -6.7 -10.3 -16.7 281 297 A I - 0 0 18 -10,-2.6 -1,-0.1 -2,-0.2 2,-0.1 -0.221 38.4-126.1 -50.5 143.4 -5.8 -11.7 -20.1 282 298 A T > - 0 0 56 1,-0.1 4,-2.1 -92,-0.0 5,-0.2 -0.357 22.8-107.1 -89.6 178.7 -2.3 -13.5 -20.2 283 299 A A H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -147,-0.2 0.898 120.1 51.2 -76.9 -38.7 0.4 -12.5 -22.7 284 300 A A H > S+ 0 0 51 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.896 113.8 46.4 -59.7 -41.0 -0.0 -15.6 -24.8 285 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.930 110.5 51.5 -65.9 -43.5 -3.8 -15.0 -25.0 286 302 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 6,-0.3 0.896 102.5 60.4 -62.8 -37.8 -3.5 -11.3 -25.8 287 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.748 106.7 47.6 -61.7 -22.9 -1.1 -12.2 -28.7 288 304 A A T << S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.419 86.3 116.1 -94.5 -4.9 -4.0 -14.2 -30.2 289 305 A H S X S- 0 0 23 -3,-1.6 3,-2.0 -4,-0.5 7,-0.1 -0.348 80.8-114.2 -67.4 149.4 -6.6 -11.4 -29.7 290 306 A A G > S+ 0 0 58 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.823 107.9 78.5 -59.4 -29.4 -8.0 -10.0 -33.0 291 307 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -27,-0.3 3,-0.3 0.770 98.3 42.7 -45.7 -33.0 -6.3 -6.6 -32.3 292 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.1 -6,-0.3 3,-1.9 0.124 72.3 125.2-109.0 21.3 -2.9 -8.2 -33.5 293 309 A A T <4 S+ 0 0 79 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.801 73.2 53.0 -50.3 -33.6 -4.1 -10.1 -36.6 294 310 A Q T 34 S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.663 122.9 28.9 -81.5 -10.8 -1.6 -8.3 -39.0 295 311 A Y T <4 S+ 0 0 74 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.715 88.2 110.1-115.8 -29.9 1.3 -9.2 -36.7 296 312 A H < + 0 0 62 -4,-3.1 5,-0.1 -7,-0.1 -8,-0.1 -0.256 33.4 172.3 -59.0 122.9 0.5 -12.5 -34.8 297 313 A D > - 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