==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-OCT-10 3P7A . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.K.MOFFETT,H.NAMBOODIRI . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 63.0 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 . 1 0.3 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 1 0 0 2 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 . 0 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 5 A R 0 0 173 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 73.3 24.7 -25.7 2 6 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.194 360.0-106.8 -66.7 156.0 72.5 28.1 -27.2 3 7 A T - 0 0 79 1,-0.0 15,-2.8 14,-0.0 16,-0.3 -0.681 38.5-147.2 -85.0 138.1 74.7 31.1 -26.4 4 8 A F E -A 17 0A 24 -2,-0.3 2,-0.3 13,-0.3 11,-0.0 -0.622 8.8-155.2-102.7 158.7 73.1 33.6 -24.0 5 9 A Y E -A 16 0A 59 11,-2.3 11,-1.5 -2,-0.2 2,-0.4 -0.980 12.9-130.5-134.6 157.8 73.3 37.3 -23.7 6 10 A R E +A 15 0A 137 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.819 27.4 163.9-115.3 140.9 72.6 39.7 -20.7 7 11 A Q E -A 14 0A 60 7,-2.1 7,-3.9 -2,-0.4 2,-0.5 -0.994 28.0-140.2-156.5 141.0 70.5 42.8 -20.5 8 12 A E E +A 13 0A 138 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.945 24.0 178.7-109.9 120.9 69.0 45.1 -17.8 9 13 A L E > -A 12 0A 30 3,-3.6 3,-0.7 -2,-0.5 -2,-0.0 -0.976 70.0 -15.9-132.6 119.9 65.5 46.3 -18.6 10 14 A N T 3 S- 0 0 124 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.951 128.6 -54.0 47.1 54.5 63.5 48.5 -16.2 11 15 A K T 3 S+ 0 0 185 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.734 118.9 114.5 55.9 25.2 65.9 47.6 -13.4 12 16 A T E < -A 9 0A 41 -3,-0.7 -3,-3.6 2,-0.0 2,-0.5 -0.995 63.9-131.8-126.4 130.0 65.2 43.9 -14.2 13 17 A I E -A 8 0A 79 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.710 20.1-165.5 -92.5 125.9 68.0 41.6 -15.5 14 18 A W E -A 7 0A 5 -7,-3.9 -7,-2.1 -2,-0.5 2,-0.4 -0.893 9.0-172.1-114.0 139.1 67.2 39.3 -18.6 15 19 A E E +A 6 0A 37 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.821 23.0 161.1-135.1 88.3 69.3 36.4 -19.8 16 20 A V E -A 5 0A 0 -11,-1.5 -11,-2.3 -2,-0.4 -2,-0.0 -0.753 44.8 -95.7-117.9 153.7 68.2 34.9 -23.1 17 21 A P E > -A 4 0A 5 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.354 43.7-113.0 -56.3 146.0 69.5 32.8 -26.0 18 22 A E T 3 S+ 0 0 119 -15,-2.8 20,-0.2 1,-0.3 -14,-0.1 0.794 112.6 78.9 -53.4 -27.5 70.8 35.0 -28.9 19 23 A R T 3 S+ 0 0 65 -16,-0.3 19,-2.2 1,-0.1 2,-0.8 0.852 82.5 69.5 -45.2 -41.8 67.8 33.6 -30.8 20 24 A Y E < S-B 37 0B 0 -3,-1.8 2,-0.2 17,-0.2 17,-0.2 -0.761 75.0-179.7 -90.5 106.4 65.5 36.1 -29.0 21 25 A Q E +B 36 0B 76 15,-2.5 15,-3.4 -2,-0.8 -2,-0.0 -0.666 46.3 23.3-108.0 155.3 66.4 39.6 -30.2 22 26 A N E - 0 0 115 -2,-0.2 2,-0.4 13,-0.2 -1,-0.2 0.942 69.1-157.2 61.3 59.3 65.2 43.1 -29.5 23 27 A L E + 0 0 11 -3,-0.2 12,-0.2 12,-0.1 -1,-0.2 -0.539 17.0 174.2 -70.5 121.5 63.8 42.8 -26.0 24 28 A S E -B 34 0B 62 10,-2.7 10,-3.1 -2,-0.4 -15,-0.0 -1.000 29.6-117.5-128.3 134.0 61.2 45.5 -25.2 25 29 A P E +B 33 0B 57 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.200 33.7 167.0 -74.3 161.1 59.1 45.4 -22.0 26 30 A V - 0 0 100 6,-1.7 2,-0.2 1,-0.5 7,-0.2 0.135 62.3 -9.5-157.1 19.7 55.4 45.1 -21.8 27 31 A G 0 0 40 5,-0.5 5,-1.5 0, 0.0 -1,-0.5 -0.827 360.0 360.0 161.0 162.2 54.5 44.4 -18.2 28 32 A S 0 0 125 3,-0.2 3,-0.3 -2,-0.2 5,-0.0 -0.912 360.0 360.0-143.0 360.0 55.6 43.5 -14.7 29 ! 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 30 36 A G 0 0 43 0, 0.0 19,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 165.7 56.8 37.5 -13.1 31 37 A S E - C 0 48B 14 17,-1.4 17,-2.2 -3,-0.3 2,-0.4 -0.550 360.0-143.9 -95.3 166.3 57.6 40.3 -15.7 32 38 A V E - C 0 47B 20 -5,-1.5 -6,-1.7 15,-0.2 -5,-0.5 -0.991 11.8-169.0-140.3 139.3 57.2 40.0 -19.5 33 39 A C E -BC 25 46B 1 13,-3.2 13,-3.8 -2,-0.4 2,-0.4 -0.898 19.4-132.6-122.3 155.4 59.0 41.2 -22.6 34 40 A A E +BC 24 45B 16 -10,-3.1 -10,-2.7 -2,-0.3 2,-0.3 -0.888 36.3 168.8 -98.4 140.5 58.3 41.2 -26.3 35 41 A A E - C 0 44B 4 9,-1.7 9,-2.6 -2,-0.4 2,-0.7 -0.940 38.3-109.1-142.8 166.3 61.1 39.9 -28.6 36 42 A F E -BC 21 43B 67 -15,-3.4 -15,-2.5 -2,-0.3 2,-1.2 -0.901 24.4-146.8 -98.5 110.7 61.8 38.9 -32.2 37 43 A D E >>> -BC 20 42B 2 5,-2.4 4,-1.6 -2,-0.7 3,-1.2 -0.695 10.2-165.5 -72.4 100.4 62.3 35.2 -32.5 38 44 A T T 345S+ 0 0 74 -19,-2.2 -1,-0.2 -2,-1.2 -18,-0.1 0.590 81.6 70.3 -66.3 -10.3 64.8 35.2 -35.3 39 45 A K T 345S+ 0 0 155 -20,-0.2 -1,-0.3 1,-0.1 -19,-0.1 0.897 120.5 10.5 -71.9 -36.3 64.2 31.5 -35.8 40 46 A T T <45S- 0 0 66 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.350 95.1-117.0-123.4 0.5 60.7 32.1 -37.2 41 47 A G T <5S+ 0 0 40 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.710 74.2 126.3 64.0 18.2 60.4 35.9 -37.9 42 48 A H E < -C 37 0B 101 -5,-0.8 -5,-2.4 59,-0.0 2,-0.3 -0.800 64.2-120.5-106.1 151.0 57.5 36.1 -35.3 43 49 A R E -C 36 0B 167 -2,-0.3 59,-1.7 -7,-0.2 2,-0.3 -0.699 38.6-171.9 -83.1 140.1 57.2 38.4 -32.3 44 50 A V E -CD 35 101B 1 -9,-2.6 -9,-1.7 -2,-0.3 2,-0.5 -0.751 23.0-119.7-126.0 169.3 57.0 36.4 -29.1 45 51 A A E -CD 34 100B 15 55,-3.4 55,-2.2 -2,-0.3 2,-0.6 -0.982 22.5-156.4-114.8 133.7 56.3 37.2 -25.5 46 52 A V E -CD 33 99B 0 -13,-3.8 -13,-3.2 -2,-0.5 2,-0.6 -0.949 4.9-165.4-112.8 116.9 58.9 36.2 -23.0 47 53 A K E -CD 32 98B 45 51,-3.5 51,-2.8 -2,-0.6 2,-0.6 -0.910 1.3-166.9-100.9 122.1 57.9 35.7 -19.3 48 54 A K E -CD 31 97B 23 -17,-2.2 -17,-1.4 -2,-0.6 49,-0.2 -0.936 26.9-124.2-106.4 111.5 60.6 35.6 -16.7 49 55 A L - 0 0 10 47,-2.1 2,-0.6 -2,-0.6 47,-0.3 -0.262 20.1-126.4 -56.4 128.9 59.3 34.2 -13.5 50 56 A S S S- 0 0 72 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 -0.757 82.0 -24.0 -79.5 119.6 59.8 36.5 -10.4 51 57 A R S > S- 0 0 174 -2,-0.6 3,-1.9 43,-0.1 4,-0.3 0.870 79.0-172.6 49.5 57.3 61.5 34.7 -7.5 52 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.744 76.0 28.6 -58.5 -34.3 60.4 31.3 -8.8 53 59 A F T 3 S+ 0 0 14 41,-0.2 -2,-0.1 1,-0.1 267,-0.1 -0.099 79.8 124.0-120.4 28.7 61.6 29.2 -5.8 54 60 A Q S < S- 0 0 99 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 0.836 82.1 -1.5 -54.5 -44.4 61.4 31.7 -3.0 55 61 A S S > S- 0 0 46 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 -0.914 82.5 -94.0-141.1 170.7 59.0 29.6 -0.8 56 62 A I H > S+ 0 0 77 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.906 126.2 50.6 -51.0 -44.9 57.3 26.3 -0.9 57 63 A I H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 111.2 45.9 -62.5 -53.2 54.2 28.1 -2.3 58 64 A H H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 112.0 52.6 -52.8 -46.5 56.1 29.9 -5.0 59 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.896 110.3 45.7 -62.9 -44.9 57.9 26.8 -6.0 60 66 A K H X S+ 0 0 33 -4,-2.3 4,-3.2 -5,-0.2 -1,-0.2 0.957 111.1 54.6 -56.5 -49.0 54.7 24.8 -6.4 61 67 A R H X S+ 0 0 130 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.810 108.6 49.8 -55.4 -30.6 53.2 27.8 -8.4 62 68 A T H X S+ 0 0 7 -4,-1.8 4,-2.1 -10,-0.4 -1,-0.2 0.938 112.1 45.0 -73.1 -51.5 56.2 27.6 -10.7 63 69 A Y H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.933 114.0 52.2 -55.1 -49.9 55.9 23.9 -11.3 64 70 A R H X S+ 0 0 66 -4,-3.2 4,-2.9 1,-0.2 3,-0.4 0.966 109.4 46.7 -50.0 -64.8 52.2 24.3 -11.8 65 71 A E H X S+ 0 0 42 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.814 113.7 49.1 -56.7 -33.7 52.4 27.1 -14.4 66 72 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.901 112.9 47.1 -70.0 -41.3 55.1 25.1 -16.3 67 73 A R H X S+ 0 0 28 -4,-2.7 4,-1.1 -3,-0.4 -2,-0.2 0.958 112.2 50.2 -62.6 -52.7 53.0 22.0 -16.3 68 74 A L H >X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 3,-1.3 0.940 113.8 44.1 -49.9 -56.4 49.8 23.8 -17.4 69 75 A L H 3< S+ 0 0 21 -4,-1.9 11,-0.9 1,-0.3 -1,-0.2 0.891 109.3 56.5 -60.5 -42.5 51.5 25.6 -20.3 70 76 A K H 3< S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.667 112.0 44.6 -61.8 -22.0 53.3 22.4 -21.4 71 77 A H H << S+ 0 0 33 -3,-1.3 2,-0.6 -4,-1.1 -1,-0.2 0.823 84.3 98.3 -92.3 -41.5 49.9 20.7 -21.7 72 78 A M < + 0 0 11 -4,-2.0 8,-0.4 -5,-0.2 2,-0.3 -0.385 38.4 159.5 -59.6 102.8 47.8 23.3 -23.5 73 79 A K + 0 0 169 -2,-0.6 2,-0.3 6,-0.1 -1,-0.1 -0.681 32.5 107.8-126.4 77.3 47.7 22.3 -27.2 74 80 A H S > S- 0 0 22 3,-0.5 3,-1.1 -2,-0.3 57,-0.0 -0.977 71.0-120.3-157.1 150.9 44.7 24.0 -28.6 75 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.700 110.8 46.7 -76.5 -23.2 44.0 26.9 -31.0 76 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.8 54,-0.1 2,-0.4 0.156 106.0 70.2-105.6 17.5 42.0 29.0 -28.5 77 83 A V B < S-f 160 0C 6 -3,-1.1 -3,-0.5 82,-0.3 84,-0.2 -0.998 91.1 -96.3-137.9 138.9 44.4 28.6 -25.6 78 84 A I - 0 0 33 82,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.208 44.2-165.3 -48.7 130.7 47.9 29.8 -24.8 79 85 A G - 0 0 24 -6,-0.1 2,-0.6 -4,-0.1 22,-0.4 -0.904 23.2-107.1-122.1 155.0 50.6 27.3 -25.8 80 86 A L + 0 0 13 -11,-0.9 20,-0.2 -8,-0.4 3,-0.1 -0.681 28.7 175.4 -84.0 120.1 54.4 27.0 -24.9 81 87 A L S S- 0 0 60 18,-2.7 2,-0.3 -2,-0.6 19,-0.2 0.839 72.3 -16.9 -82.7 -34.2 56.7 27.9 -27.8 82 88 A D E -E 99 0B 28 17,-1.3 17,-3.0 250,-0.1 2,-0.4 -0.969 49.4-161.6-169.0 144.1 59.8 27.5 -25.6 83 89 A V E +E 98 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.977 26.4 160.6-133.7 132.9 61.0 27.3 -22.0 84 90 A F E -E 97 0B 16 13,-1.7 13,-2.0 -2,-0.4 -2,-0.0 -0.877 22.8-157.9-141.9 169.4 64.7 27.9 -21.1 85 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.981 26.0-132.5-148.2 140.0 67.0 28.8 -18.2 86 92 A P S S+ 0 0 15 0, 0.0 2,-0.1 0, 0.0 -82,-0.1 0.753 76.0 113.4 -61.0 -22.3 70.6 30.3 -18.2 87 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.302 53.9-163.2 -62.4 128.6 71.5 27.5 -15.6 88 94 A R S S+ 0 0 175 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.542 75.6 14.3 -75.7 -14.2 73.9 24.8 -16.7 89 95 A S S >> S- 0 0 33 1,-0.1 4,-1.9 0, 0.0 3,-1.0 -0.999 79.0-100.3-162.7 157.8 72.8 22.6 -13.8 90 96 A L T 34 S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.3 234,-0.1 0.853 121.9 55.0 -46.3 -37.5 70.2 21.8 -11.0 91 97 A E T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.836 112.0 40.3 -72.0 -35.4 72.7 23.5 -8.6 92 98 A E T <4 S+ 0 0 130 -3,-1.0 2,-0.3 -6,-0.0 -1,-0.2 0.692 88.7 123.7 -80.4 -22.1 72.8 26.7 -10.6 93 99 A F < + 0 0 0 -4,-1.9 3,-0.1 1,-0.1 231,-0.1 -0.233 15.6 123.1 -57.8 106.7 69.1 26.7 -11.3 94 100 A N + 0 0 89 -2,-0.3 2,-0.3 1,-0.2 -41,-0.2 0.217 57.7 61.3-147.9 15.4 67.2 29.8 -10.2 95 101 A D - 0 0 46 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.993 52.4-168.7-147.1 144.9 65.4 31.4 -13.2 96 102 A V - 0 0 0 -2,-0.3 -47,-2.1 -47,-0.3 2,-0.4 -0.996 3.0-167.3-136.6 135.8 62.8 30.2 -15.5 97 103 A Y E -DE 48 84B 0 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.4 -0.994 2.3-163.9-132.1 131.5 61.6 31.7 -18.8 98 104 A L E -DE 47 83B 7 -51,-2.8 -51,-3.5 -2,-0.4 2,-0.4 -0.904 6.5-159.0-116.1 138.9 58.5 30.9 -20.8 99 105 A V E +DE 46 82B 1 -17,-3.0 -18,-2.7 -2,-0.4 -17,-1.3 -0.957 16.5 164.7-122.8 132.8 58.0 31.9 -24.4 100 106 A T E -D 45 0B 28 -55,-2.2 -55,-3.4 -2,-0.4 -20,-0.1 -0.974 45.9 -76.5-143.3 161.9 54.7 32.2 -26.3 101 107 A H E -D 44 0B 87 -22,-0.4 2,-0.8 -2,-0.3 -57,-0.2 -0.339 48.0-122.7 -57.3 122.1 53.2 33.7 -29.5 102 108 A L - 0 0 55 -59,-1.7 2,-0.4 -67,-0.1 -59,-0.2 -0.603 27.8-156.3 -69.8 108.3 52.8 37.5 -29.1 103 109 A M - 0 0 38 -2,-0.8 50,-0.1 1,-0.1 49,-0.1 -0.778 20.8-117.8 -92.1 139.7 49.1 38.0 -29.8 104 110 A G S S- 0 0 69 -2,-0.4 2,-0.3 1,-0.1 49,-0.2 0.747 72.7 -26.9 -46.4 -51.5 48.3 41.5 -30.9 105 111 A A E -G 152 0C 27 47,-0.7 47,-3.5 45,-0.0 2,-0.1 -0.979 61.5-101.8-167.2 156.5 46.0 42.9 -28.2 106 112 A D E > -G 151 0C 42 -2,-0.3 4,-1.5 45,-0.3 45,-0.2 -0.425 41.4 -99.2 -90.6 170.8 43.5 42.0 -25.6 107 113 A L H > S+ 0 0 3 43,-2.0 4,-1.9 40,-1.2 41,-0.2 0.757 121.5 58.3 -59.8 -29.3 39.7 42.2 -25.7 108 114 A N H > S+ 0 0 52 39,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.950 103.9 49.3 -63.3 -50.7 39.8 45.4 -23.7 109 115 A N H > S+ 0 0 92 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.811 113.3 50.0 -56.9 -34.3 42.0 47.2 -26.3 110 116 A I H >X S+ 0 0 19 -4,-1.5 4,-1.8 1,-0.2 3,-1.2 0.986 106.8 49.5 -71.5 -61.4 39.6 46.1 -29.1 111 117 A V H 3< S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.757 103.8 65.3 -47.2 -32.0 36.2 47.1 -27.6 112 118 A K H 3< S+ 0 0 165 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 121.1 13.4 -64.9 -40.4 37.7 50.6 -26.9 113 119 A C H << S+ 0 0 135 -3,-1.2 2,-0.3 -4,-0.8 -2,-0.2 0.339 122.2 61.4-126.9 11.2 38.2 51.7 -30.5 114 120 A Q S < S- 0 0 103 -4,-1.8 2,-0.8 -5,-0.1 -1,-0.1 -0.994 71.2-144.1-131.4 128.7 36.2 49.0 -32.5 115 121 A K - 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0 0 45 1,-0.2 4,-2.6 2,-0.0 5,-0.1 -0.712 58.8-160.4 -97.9 126.8 25.2 27.3 6.4 235 253 A E H > S+ 0 0 136 -2,-0.5 4,-1.9 2,-0.2 5,-0.2 0.901 99.0 50.1 -59.6 -46.0 22.4 29.1 8.2 236 254 A S H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 110.8 49.4 -69.0 -35.4 24.5 32.3 8.2 237 255 A A H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.945 108.7 53.1 -62.2 -48.3 25.1 31.9 4.4 238 256 A R H X S+ 0 0 85 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.839 113.0 44.0 -56.7 -37.7 21.4 31.4 3.7 239 257 A N H X S+ 0 0 95 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.854 109.4 54.7 -74.4 -39.9 20.4 34.6 5.6 240 258 A Y H X S+ 0 0 109 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.896 106.5 50.9 -65.7 -38.8 23.1 36.8 4.2 241 259 A I H X S+ 0 0 10 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.905 110.5 49.0 -67.2 -41.0 22.1 36.0 0.5 242 260 A Q H >< S+ 0 0 100 -4,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.877 109.6 55.0 -58.3 -38.3 18.4 36.8 1.3 243 261 A S H 3< S+ 0 0 81 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.755 107.3 47.9 -67.2 -28.8 19.7 40.1 2.9 244 262 A L H 3< S+ 0 0 7 -4,-1.3 3,-0.4 -3,-0.3 -1,-0.2 0.499 98.0 71.9 -90.2 -8.0 21.6 41.1 -0.2 245 263 A A << + 0 0 16 -3,-0.7 -1,-0.2 -4,-0.6 -22,-0.1 -0.177 66.7 103.5 -97.8 38.5 18.6 40.4 -2.5 246 264 A Q + 0 0 146 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.588 48.2 104.9 -97.3 -14.2 16.7 43.5 -1.2 247 265 A M S S- 0 0 63 -3,-0.4 3,-0.1 -32,-0.2 2,-0.0 -0.328 91.4 -82.4 -60.8 147.9 17.2 45.8 -4.2 248 266 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.372 58.5-100.5 -56.1 133.2 14.2 46.3 -6.4 249 267 A K - 0 0 132 -3,-0.1 2,-0.4 -4,-0.1 -29,-0.2 -0.316 36.8-158.0 -64.6 131.6 14.0 43.4 -8.8 250 268 A M - 0 0 70 -31,-3.2 2,-0.4 -34,-0.1 -1,-0.1 -0.910 13.1-129.0-111.2 137.8 15.3 44.0 -12.3 251 269 A N > - 0 0 83 -2,-0.4 3,-1.0 1,-0.1 4,-0.2 -0.739 9.3-137.1 -99.1 139.6 14.3 41.9 -15.3 252 270 A F G >> S+ 0 0 22 -2,-0.4 3,-3.2 -32,-0.4 4,-0.7 0.921 94.0 51.1 -49.0 -70.5 16.8 40.4 -17.7 253 271 A A G 34 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.2 11,-0.1 0.475 104.7 60.3 -58.7 -7.4 15.5 40.9 -21.2 254 272 A N G <4 S+ 0 0 115 -3,-1.0 -1,-0.3 1,-0.1 3,-0.2 0.444 99.6 56.0-100.3 -0.5 15.0 44.6 -20.6 255 273 A V T <4 S+ 0 0 47 -3,-3.2 -2,-0.2 -4,-0.2 -1,-0.1 0.575 112.5 42.8 -94.5 -18.8 18.7 45.0 -19.8 256 274 A F S >< S+ 0 0 7 -4,-0.7 3,-1.7 1,-0.1 -1,-0.1 -0.111 74.7 146.5-121.4 38.5 19.5 43.6 -23.2 257 275 A I T 3 + 0 0 140 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.688 68.7 40.2 -59.8 -38.8 16.9 45.2 -25.5 258 276 A G T 3 S+ 0 0 78 2,-0.1 -1,-0.3 -59,-0.0 2,-0.1 0.539 95.2 112.5 -86.1 -1.7 18.6 45.7 -28.9 259 277 A A S < S- 0 0 21 -3,-1.7 5,-0.1 1,-0.1 -3,-0.1 -0.367 81.6 -88.4 -84.0 149.2 20.4 42.4 -28.8 260 278 A N > - 0 0 45 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.222 37.6-129.4 -42.9 129.5 19.8 39.3 -30.9 261 279 A P H > S+ 0 0 109 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.824 109.8 52.7 -59.4 -35.5 17.1 37.2 -29.2 262 280 A L H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 27,-0.2 0.875 106.2 54.7 -65.7 -38.4 19.2 34.0 -29.3 263 281 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.926 108.5 47.2 -57.7 -46.3 22.1 36.0 -27.6 264 282 A V H X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.889 110.0 54.6 -64.0 -37.2 19.7 37.0 -24.7 265 283 A D H X S+ 0 0 48 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.935 110.1 45.5 -60.8 -49.2 18.6 33.3 -24.5 266 284 A L H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-1.1 0.932 110.4 53.2 -62.2 -49.8 22.2 32.1 -24.1 267 285 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 3,-0.5 0.892 104.5 56.1 -51.6 -42.0 23.0 34.8 -21.6 268 286 A E H 3< S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.773 109.0 49.2 -60.8 -25.5 19.9 33.6 -19.5 269 287 A K H << S+ 0 0 84 -3,-1.1 10,-1.9 -4,-0.9 3,-0.3 0.695 114.0 42.1 -89.5 -19.9 21.5 30.2 -19.5 270 288 A M H << S+ 0 0 0 -4,-1.3 2,-1.2 -3,-0.5 -2,-0.2 0.841 106.4 60.6 -90.8 -39.2 25.0 31.2 -18.4 271 289 A L S < S+ 0 0 3 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.337 72.2 140.1 -90.4 54.4 24.0 33.8 -15.7 272 290 A V - 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