==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-05 1ZZ2 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.MICHELOTTI,K.K.MOFFETT,E.B.SPRINGMAN,M.KARPUSAS . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 63.4 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 . 44 13.1 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 . 3 0.9 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.5 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+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 1 0 1 0 1 1 0 1 0 1 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 . 1 1 2 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 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 5 A R 0 0 174 0, 0.0 89,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.6 56.6 81.2 6.4 2 6 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.133 360.0-108.8 -58.5 153.3 55.7 82.7 9.9 3 7 A T - 0 0 75 1,-0.0 15,-2.8 2,-0.0 16,-0.2 -0.729 36.6-147.5 -87.5 135.7 57.8 81.7 12.8 4 8 A F E -A 17 0A 33 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.570 8.5-156.5 -99.3 167.3 56.0 79.4 15.3 5 9 A Y E -A 16 0A 48 11,-1.8 11,-1.6 -2,-0.2 2,-0.2 -0.994 14.2-132.2-144.5 137.0 56.3 79.1 19.1 6 10 A R E +A 15 0A 174 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.604 26.0 171.0 -90.6 155.8 55.4 76.1 21.2 7 11 A Q E -A 14 0A 64 7,-1.3 7,-3.2 -2,-0.2 2,-0.6 -0.956 29.1-130.2-163.5 138.9 53.3 76.2 24.4 8 12 A E E +A 13 0A 159 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.867 28.2 177.2 -99.2 118.1 51.8 73.6 26.7 9 13 A L E > -A 12 0A 20 3,-3.1 3,-1.8 -2,-0.6 -2,-0.0 -0.949 67.5 -27.1-126.5 113.0 48.1 74.1 27.4 10 14 A N T 3 S- 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.938 123.5 -50.4 50.0 55.8 46.1 71.7 29.6 11 15 A K T 3 S+ 0 0 196 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.161 119.9 109.4 73.1 -19.8 48.3 68.7 28.7 12 16 A T E < -A 9 0A 41 -3,-1.8 -3,-3.1 1,-0.0 2,-0.4 -0.719 68.0-129.4 -93.8 136.1 47.9 69.5 25.0 13 17 A I E -A 8 0A 83 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.693 21.5-164.4 -84.9 130.1 50.8 70.9 22.9 14 18 A W E +A 7 0A 3 -7,-3.2 -7,-1.3 -2,-0.4 2,-0.5 -0.967 10.8 179.3-119.0 119.9 50.1 74.1 20.9 15 19 A E E +A 6 0A 46 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.946 21.0 156.8-119.9 108.7 52.4 75.3 18.1 16 20 A V E -A 5 0A 0 -11,-1.6 -11,-1.8 -2,-0.5 -2,-0.0 -0.885 47.7 -86.6-133.7 158.7 51.1 78.4 16.4 17 21 A P E > -A 4 0A 6 0, 0.0 3,-2.3 0, 0.0 -13,-0.3 -0.369 42.2-116.1 -61.1 141.5 52.4 81.4 14.4 18 22 A E T 3 S+ 0 0 110 -15,-2.8 22,-0.1 1,-0.3 -14,-0.1 0.723 108.5 83.2 -54.3 -17.9 53.7 84.2 16.6 19 23 A R T 3 S+ 0 0 59 -16,-0.2 21,-2.1 20,-0.1 2,-0.6 0.856 82.8 65.6 -52.3 -40.0 50.9 86.2 15.0 20 24 A Y E < S-B 39 0B 0 -3,-2.3 2,-0.3 19,-0.2 19,-0.2 -0.799 74.2-179.6 -92.4 120.2 48.5 84.7 17.5 21 25 A Q E +B 38 0B 77 17,-2.4 17,-3.1 -2,-0.6 -2,-0.0 -0.753 48.2 26.6-118.7 163.5 49.2 85.7 21.1 22 26 A N E S- 0 0 132 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.905 71.8-156.6 54.9 54.4 47.8 85.1 24.6 23 27 A L E - 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.1 -0.298 13.7-177.3 -61.3 138.1 46.3 81.7 24.0 24 28 A S E -B 36 0B 61 12,-2.2 12,-3.6 -15,-0.0 -15,-0.0 -0.931 25.3-121.6-144.1 116.7 43.6 80.8 26.5 25 29 A P E +B 35 0B 52 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.246 42.3 151.8 -59.2 137.4 41.7 77.5 26.6 26 30 A V E + 0 0 90 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.326 61.2 45.4-131.7 0.3 37.9 77.6 26.2 27 31 A G E +B 34 0B 24 7,-1.0 7,-1.3 2,-0.0 2,-0.3 -1.000 45.8 162.3-171.7 124.6 37.3 74.3 24.7 28 32 A S E +B 33 0B 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.930 27.6 98.6-164.1 137.7 38.0 70.6 24.8 29 33 A G E > S-B 32 0B 36 3,-0.9 3,-1.1 -2,-0.3 23,-0.1 -0.989 79.2 -55.1 171.8-167.8 36.4 67.4 23.4 30 34 A A T 3 S+ 0 0 101 -2,-0.3 22,-0.2 1,-0.2 3,-0.1 0.669 124.9 62.2 -71.8 -17.7 36.4 64.7 20.7 31 35 A Y T 3 S- 0 0 100 1,-0.3 2,-0.3 20,-0.1 -1,-0.2 0.583 120.8 -93.1 -80.4 -11.3 36.1 67.5 18.0 32 36 A G E < -B 29 0B 0 -3,-1.1 -3,-0.9 19,-0.2 2,-0.4 -0.811 48.8 -58.0 125.7-174.9 39.5 68.8 19.1 33 37 A S E -BC 28 50B 21 17,-2.1 17,-2.8 -2,-0.3 2,-0.4 -0.924 44.9-159.0-112.3 137.7 40.9 71.5 21.5 34 38 A V E +BC 27 49B 26 -7,-1.3 -8,-2.6 -2,-0.4 -7,-1.0 -0.956 9.9 180.0-124.2 135.0 39.9 75.2 21.2 35 39 A C E -BC 25 48B 0 13,-2.8 13,-3.3 -2,-0.4 2,-0.3 -0.920 26.4-127.2-127.2 151.8 41.7 78.3 22.5 36 40 A A E +BC 24 47B 18 -12,-3.6 -12,-2.2 -2,-0.3 2,-0.3 -0.756 37.9 177.8 -93.6 145.2 40.9 82.0 22.4 37 41 A A E - C 0 46B 4 9,-2.6 9,-3.7 -2,-0.3 2,-0.7 -0.982 33.9-116.3-148.4 157.0 43.7 84.1 21.0 38 42 A F E -BC 21 45B 80 -17,-3.1 -17,-2.4 -2,-0.3 2,-1.3 -0.869 23.0-149.4 -97.7 111.9 44.6 87.6 20.1 39 43 A D E >>> -BC 20 44B 2 5,-2.4 4,-2.3 -2,-0.7 3,-0.7 -0.714 9.9-167.2 -81.1 100.0 45.2 87.9 16.4 40 44 A T T 345S+ 0 0 74 -21,-2.1 -1,-0.2 -2,-1.3 -20,-0.1 0.677 80.0 68.2 -63.2 -18.2 47.8 90.8 16.5 41 45 A K T 345S+ 0 0 148 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.942 119.6 16.0 -66.2 -45.2 47.4 91.2 12.7 42 46 A T T <45S- 0 0 79 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.581 99.1-121.1-103.4 -13.3 43.9 92.5 13.0 43 47 A G T <5S+ 0 0 37 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.458 73.2 121.1 81.9 4.0 43.6 93.4 16.7 44 48 A L E < -C 39 0B 110 -5,-0.6 -5,-2.4 -6,-0.0 -1,-0.3 -0.748 67.0-115.1-107.2 147.1 40.7 91.0 17.2 45 49 A R E -C 38 0B 191 -2,-0.3 59,-1.0 -7,-0.2 2,-0.3 -0.521 40.2-171.8 -73.0 140.6 40.3 88.0 19.5 46 50 A V E -CD 37 103B 3 -9,-3.7 -9,-2.6 57,-0.2 2,-0.5 -0.859 24.9-117.5-131.3 168.3 39.9 84.7 17.5 47 51 A A E -CD 36 102B 15 55,-2.9 55,-2.1 -2,-0.3 2,-0.5 -0.928 26.2-163.8-108.3 125.7 39.1 81.1 18.2 48 52 A V E -CD 35 101B 0 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.5 -0.950 2.2-166.0-113.7 127.6 41.9 78.6 17.3 49 53 A K E -CD 34 100B 15 51,-3.1 51,-2.6 -2,-0.5 2,-0.7 -0.956 7.4-160.8-117.6 121.3 41.0 74.9 17.0 50 54 A K E -CD 33 99B 24 -17,-2.8 -17,-2.1 -2,-0.5 49,-0.2 -0.907 27.0-127.6 -98.4 113.9 43.7 72.2 17.0 51 55 A L - 0 0 9 47,-2.4 47,-0.3 -2,-0.7 -19,-0.2 -0.355 21.3-120.7 -62.3 139.4 42.2 69.0 15.4 52 56 A S S S- 0 0 41 1,-0.2 46,-0.1 -21,-0.2 3,-0.1 0.900 81.4 -26.0 -44.5-105.5 42.7 66.0 17.6 53 57 A R S > S- 0 0 156 1,-0.2 3,-2.1 44,-0.1 4,-0.3 -0.688 72.4-173.5-117.7 77.0 44.6 63.3 15.8 54 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.3 0, 0.0 3,-0.2 0.737 79.5 32.1 -40.9 -41.2 43.6 64.3 12.2 55 59 A F T 3 S+ 0 0 15 41,-0.3 269,-0.1 1,-0.2 3,-0.1 -0.009 80.5 111.7-116.9 34.9 45.2 61.4 10.5 56 60 A Q S < S- 0 0 118 -3,-2.1 2,-0.3 1,-0.1 -1,-0.2 0.820 90.3 -2.4 -73.2 -33.3 44.9 58.5 13.0 57 61 A S S > S- 0 0 43 -4,-0.3 4,-3.0 -3,-0.2 5,-0.2 -0.901 78.4 -96.5-148.7 174.9 42.4 56.6 10.9 58 62 A I H > S+ 0 0 74 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.947 124.5 50.3 -64.2 -44.0 40.5 56.9 7.6 59 63 A I H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 113.9 45.2 -60.4 -42.7 37.4 58.2 9.4 60 64 A H H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.963 113.2 49.9 -63.6 -51.6 39.6 60.9 11.1 61 65 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.917 112.2 47.8 -53.3 -48.2 41.4 61.8 8.0 62 66 A K H X S+ 0 0 26 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.901 112.3 48.2 -63.8 -42.0 38.1 62.2 6.0 63 67 A R H X S+ 0 0 120 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.783 108.3 55.2 -72.6 -20.5 36.5 64.3 8.7 64 68 A T H X S+ 0 0 7 -4,-2.1 4,-1.8 -10,-0.3 -2,-0.2 0.933 112.2 42.9 -71.0 -46.9 39.7 66.5 8.9 65 69 A Y H X S+ 0 0 19 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.910 112.6 55.8 -62.7 -42.7 39.4 67.1 5.2 66 70 A R H X S+ 0 0 42 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.929 108.3 44.7 -56.8 -53.1 35.6 67.6 5.6 67 71 A E H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.869 113.4 51.6 -62.9 -36.3 35.8 70.3 8.2 68 72 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.938 112.7 45.0 -65.2 -47.3 38.6 72.1 6.2 69 73 A R H X S+ 0 0 27 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.916 113.4 50.9 -61.2 -47.7 36.5 72.1 3.0 70 74 A L H >X S+ 0 0 6 -4,-2.7 4,-1.7 -5,-0.2 3,-0.8 0.955 113.0 43.4 -54.5 -58.0 33.4 73.2 4.8 71 75 A L H 3< S+ 0 0 11 -4,-2.4 11,-1.5 1,-0.2 -1,-0.2 0.860 109.8 57.1 -60.4 -37.0 35.0 76.2 6.6 72 76 A K H 3< S+ 0 0 43 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.771 110.8 45.3 -66.9 -23.0 36.8 77.2 3.4 73 77 A H H << S+ 0 0 38 -4,-1.2 2,-0.4 -3,-0.8 234,-0.2 0.841 88.6 95.2 -91.0 -32.2 33.5 77.5 1.6 74 78 A M < + 0 0 3 -4,-1.7 8,-0.3 6,-0.1 2,-0.3 -0.430 36.8 161.3 -69.5 120.4 31.3 79.3 4.1 75 79 A K + 0 0 159 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.805 31.8 111.8-140.9 88.3 31.1 83.1 3.5 76 80 A H B > -F 79 0C 14 3,-0.5 3,-1.2 -2,-0.3 57,-0.0 -0.970 68.1-120.7-158.5 147.4 28.1 84.4 5.3 77 81 A E T 3 S+ 0 0 95 -2,-0.3 4,-0.1 1,-0.2 56,-0.1 0.749 111.5 45.7 -68.1 -25.2 27.5 86.7 8.4 78 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.5 54,-0.1 2,-0.4 0.144 106.3 70.7-103.5 19.3 25.5 84.1 10.4 79 83 A V B < S-Fg 76 162C 1 -3,-1.2 -3,-0.5 82,-0.3 84,-0.2 -0.998 86.2-110.7-139.1 131.5 27.9 81.2 9.7 80 84 A I - 0 0 11 82,-2.4 2,-0.3 -2,-0.4 -6,-0.1 -0.370 41.2-175.2 -58.5 129.6 31.4 80.5 11.0 81 85 A G - 0 0 12 -4,-0.1 2,-0.6 -8,-0.1 22,-0.4 -0.819 31.7 -86.1-119.6 174.2 34.0 80.8 8.2 82 86 A L + 0 0 11 -11,-1.5 20,-0.2 -8,-0.3 3,-0.1 -0.674 36.1 171.0 -86.7 115.3 37.7 80.2 7.9 83 87 A L S S- 0 0 30 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.835 73.4 -16.8 -85.7 -36.1 40.0 83.1 8.9 84 88 A D E -E 101 0B 26 17,-1.2 17,-2.9 252,-0.1 -1,-0.4 -0.978 52.8-163.1-164.5 157.9 43.2 81.1 8.8 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.965 23.7 161.6-148.0 133.8 44.4 77.5 8.7 86 90 A F E -E 99 0B 15 13,-2.0 13,-2.5 -2,-0.3 246,-0.0 -0.969 24.5-157.4-152.5 167.6 48.0 76.4 9.4 87 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.986 25.2-134.1-147.2 141.5 50.4 73.5 10.4 88 92 A P S S+ 0 0 19 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.694 79.2 105.5 -68.2 -18.5 53.8 73.6 12.0 89 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.359 56.0-163.3 -67.9 140.8 54.9 71.1 9.3 90 94 A R S S+ 0 0 174 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.508 74.8 31.0 -98.8 -7.5 57.1 72.2 6.4 91 95 A S S > S- 0 0 24 1,-0.1 4,-1.1 0, 0.0 3,-0.3 -0.964 80.0-112.4-147.8 162.4 56.3 69.1 4.3 92 96 A L T 4 S+ 0 0 54 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.885 118.6 59.7 -60.5 -34.9 53.6 66.6 3.6 93 97 A E T 4 S+ 0 0 155 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.879 112.2 35.5 -61.2 -41.7 56.0 64.1 5.2 94 98 A E T 4 S+ 0 0 136 -3,-0.3 2,-0.6 -6,-0.0 -1,-0.2 0.499 88.9 123.5 -90.5 -6.1 56.0 66.0 8.5 95 99 A F < + 0 0 1 -4,-1.1 3,-0.1 -3,-0.4 233,-0.1 -0.434 18.9 125.0 -62.8 109.4 52.4 67.0 8.2 96 100 A N + 0 0 90 -2,-0.6 2,-0.4 1,-0.2 -41,-0.3 0.424 55.4 63.5-143.0 -9.5 50.5 65.8 11.3 97 101 A D - 0 0 34 -3,-0.2 2,-0.4 -43,-0.1 -8,-0.3 -0.971 53.2-169.2-126.8 141.8 48.8 68.8 12.9 98 102 A V - 0 0 1 -2,-0.4 -47,-2.4 -47,-0.3 2,-0.4 -0.994 2.4-169.9-131.8 127.4 46.0 71.0 11.6 99 103 A Y E -DE 50 86B 0 -13,-2.5 -13,-2.0 -2,-0.4 2,-0.4 -0.960 3.8-163.5-118.9 136.1 44.9 74.3 13.2 100 104 A L E -DE 49 85B 5 -51,-2.6 -51,-3.1 -2,-0.4 2,-0.4 -0.928 4.4-159.1-118.5 141.2 41.7 76.2 12.1 101 105 A V E +DE 48 84B 1 -17,-2.9 -18,-3.0 -2,-0.4 -17,-1.2 -0.964 19.8 151.7-125.2 135.7 41.0 79.8 13.0 102 106 A T E -D 47 0B 15 -55,-2.1 -55,-2.9 -2,-0.4 -20,-0.1 -0.886 48.9 -59.3-147.2 178.4 37.7 81.7 13.0 103 107 A H E -D 46 0B 78 -22,-0.4 2,-0.6 -2,-0.3 -57,-0.2 -0.281 39.3-142.7 -64.2 145.4 35.9 84.6 14.7 104 108 A L - 0 0 53 -59,-1.0 -59,-0.1 1,-0.1 -1,-0.1 -0.968 16.1-176.2-110.2 114.0 35.5 84.5 18.5 105 109 A M - 0 0 42 -2,-0.6 51,-0.3 2,-0.1 -1,-0.1 0.837 37.2-122.6 -82.1 -34.6 32.1 86.0 19.4 106 110 A G S S+ 0 0 69 49,-0.1 2,-0.3 1,-0.1 49,-0.1 -0.187 74.7 23.3 125.7 -41.0 32.5 85.9 23.1 107 111 A A E -H 154 0C 27 47,-0.9 47,-2.4 4,-0.0 2,-0.2 -0.908 65.6-126.0-148.4 168.8 29.6 83.8 24.4 108 112 A D E > -H 153 0C 40 -2,-0.3 4,-1.9 45,-0.2 45,-0.2 -0.645 41.5 -93.8-111.1 175.5 27.1 81.1 23.3 109 113 A L H > S+ 0 0 2 40,-1.6 4,-2.4 43,-1.0 5,-0.2 0.863 122.2 56.7 -60.2 -38.8 23.3 81.2 23.6 110 114 A N H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 108.0 48.5 -59.0 -43.9 23.2 79.3 26.9 111 115 A N H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 109.7 51.8 -62.3 -44.3 25.4 82.0 28.5 112 116 A I H X S+ 0 0 16 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.952 112.5 45.1 -56.9 -51.6 23.3 84.9 27.1 113 117 A V H < S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 106.1 61.8 -61.5 -36.2 20.1 83.3 28.5 114 118 A K H < S+ 0 0 171 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.909 116.5 29.8 -57.4 -43.5 21.8 82.7 31.8 115 119 A C H < S+ 0 0 103 -4,-1.7 2,-0.4 -3,-0.3 -2,-0.2 0.801 122.1 42.5 -89.0 -34.1 22.4 86.4 32.3 116 120 A Q < - 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0 0 10 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 0.070 36.1 -41.9 94.1 161.3 0.4 64.3 18.4 227 241 A T S S- 0 0 86 22,-0.1 2,-0.2 1,-0.1 50,-0.1 -0.244 74.6 -92.4 -56.9 148.8 0.2 60.8 17.1 228 242 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.492 46.6-128.2 -68.1 132.1 1.4 60.4 13.5 229 243 A G > - 0 0 45 -2,-0.2 4,-2.4 -3,-0.1 3,-0.3 -0.117 29.4 -92.5 -72.8 176.3 -1.5 60.7 11.1 230 244 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.887 126.0 58.1 -56.4 -38.3 -2.4 58.3 8.4 231 245 A E H 4 S+ 0 0 115 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.874 109.9 40.3 -60.6 -43.6 -0.3 60.4 6.0 232 246 A L H >4 S+ 0 0 23 -3,-0.3 3,-2.2 1,-0.2 4,-0.2 0.947 112.7 53.5 -72.6 -48.8 3.0 60.1 8.0 233 247 A L H >< S+ 0 0 38 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.770 99.3 67.9 -56.1 -26.5 2.5 56.4 8.9 234 248 A K T 3< S+ 0 0 171 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.718 97.6 50.6 -66.7 -23.1 2.1 55.8 5.2 235 249 A K T < S+ 0 0 95 -3,-2.2 2,-0.7 -4,-0.3 -1,-0.2 0.321 88.6 90.9-100.0 6.4 5.8 56.7 4.6 236 250 A I < - 0 0 19 -3,-1.2 6,-0.1 -4,-0.2 -1,-0.0 -0.920 51.3-178.8-106.3 109.5 7.2 54.3 7.2 237 251 A S + 0 0 112 -2,-0.7 -1,-0.2 4,-0.1 2,-0.1 0.955 55.9 87.6 -71.0 -60.4 7.9 50.9 5.6 238 252 A S > - 0 0 55 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.259 64.8-154.4 -47.8 114.9 9.2 49.0 8.6 239 253 A E H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 96.6 54.0 -58.5 -42.9 6.2 47.4 10.3 240 254 A S H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 106.9 52.5 -60.9 -33.9 8.1 47.3 13.6 241 255 A A H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 110.1 46.7 -68.3 -45.8 8.8 51.1 13.2 242 256 A R H X S+ 0 0 69 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.926 114.6 46.1 -62.1 -48.5 5.1 52.0 12.7 243 257 A N H X S+ 0 0 81 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.929 112.3 51.0 -61.9 -44.7 3.9 49.8 15.6 244 258 A Y H X S+ 0 0 106 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.900 108.2 51.3 -61.0 -43.0 6.7 51.1 18.0 245 259 A I H >< S+ 0 0 8 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.917 110.0 48.6 -64.2 -39.5 5.9 54.8 17.2 246 260 A Q H >< S+ 0 0 87 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.887 107.2 58.2 -65.5 -35.7 2.2 54.3 18.0 247 261 A S H 3< S+ 0 0 78 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.700 104.0 52.2 -65.9 -21.4 3.2 52.5 21.2 248 262 A L T << S+ 0 0 7 -4,-0.9 3,-0.3 -3,-0.8 -1,-0.3 0.451 96.1 69.3 -94.3 -4.9 5.1 55.7 22.2 249 263 A T < + 0 0 15 -3,-1.3 -1,-0.2 -4,-0.4 -22,-0.1 -0.213 64.5 104.7-106.7 42.8 2.1 58.0 21.7 250 264 A Q + 0 0 149 -3,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.473 49.0 107.2 -99.6 -3.3 0.0 56.8 24.6 251 265 A M S S- 0 0 70 -3,-0.3 3,-0.1 -32,-0.2 -3,-0.0 -0.428 88.9 -85.4 -72.2 150.4 0.6 59.7 26.9 252 266 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.329 57.3 -99.7 -57.1 135.0 -2.3 62.1 27.4 253 267 A K - 0 0 125 -3,-0.1 2,-0.3 -4,-0.1 -29,-0.2 -0.250 32.8-146.6 -61.5 141.5 -2.3 64.7 24.6 254 268 A M - 0 0 80 -31,-2.9 2,-0.5 -3,-0.1 -1,-0.1 -0.835 14.8-123.8-107.2 145.8 -0.9 68.2 25.3 255 269 A N > - 0 0 82 -2,-0.3 4,-1.7 1,-0.1 -30,-0.1 -0.801 10.1-144.5 -93.8 131.7 -2.3 71.3 23.6 256 270 A F H > S+ 0 0 20 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.899 98.8 50.0 -59.4 -46.8 0.3 73.4 21.7 257 271 A A H 4 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.875 106.9 56.5 -61.1 -40.0 -1.2 76.8 22.6 258 272 A N H >4 S+ 0 0 109 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.934 102.2 55.5 -58.0 -48.0 -1.3 75.9 26.3 259 273 A V H 3< S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 115.5 37.2 -56.1 -36.1 2.5 75.1 26.3 260 274 A F T >< S+ 0 0 4 -4,-1.2 3,-1.7 -3,-0.2 -1,-0.3 0.006 79.3 154.8-111.1 34.9 3.3 78.6 25.0 261 275 A I T < + 0 0 139 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.709 67.2 30.5 -21.1 -85.1 0.7 80.7 26.8 262 276 A G T 3 S+ 0 0 80 -59,-0.1 -1,-0.2 -58,-0.0 -2,-0.1 0.466 95.0 110.8 -81.3 1.1 2.0 84.3 27.1 263 277 A A S < S- 0 0 27 -3,-1.7 -3,-0.0 1,-0.2 5,-0.0 -0.194 82.7 -76.1 -72.0 163.2 4.1 84.3 23.9 264 278 A N > - 0 0 40 1,-0.1 4,-2.0 2,-0.1 3,-0.2 -0.321 39.2-129.9 -56.8 132.2 3.4 86.3 20.8 265 279 A P H > S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.875 109.6 52.0 -54.5 -40.5 0.7 84.6 18.7 266 280 A L H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 27,-0.2 0.891 105.4 55.2 -64.9 -38.5 2.9 84.8 15.6 267 281 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.941 108.7 48.2 -58.6 -47.0 5.7 83.1 17.5 268 282 A V H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.885 109.5 52.1 -61.3 -42.7 3.4 80.2 18.4 269 283 A D H X S+ 0 0 51 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.927 111.5 46.9 -60.7 -45.1 2.2 79.8 14.8 270 284 A L H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.6 0.914 109.4 54.4 -63.7 -40.9 5.8 79.7 13.6 271 285 A L H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-0.6 0.898 105.8 53.4 -58.8 -41.2 6.6 77.1 16.3 272 286 A E H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.772 107.9 50.7 -63.8 -30.2 3.8 75.0 15.1 273 287 A K H << S+ 0 0 83 -4,-1.2 10,-2.5 -3,-0.6 3,-0.3 0.668 115.3 41.9 -82.5 -18.6 5.2 75.0 11.6 274 288 A M H << S+ 0 0 0 -4,-1.2 2,-1.7 -3,-0.6 -2,-0.2 0.835 106.1 60.2 -92.4 -44.4 8.7 74.0 12.7 275 289 A L S < S+ 0 0 4 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.337 73.9 141.9 -84.9 55.3 7.7 71.3 15.2 276 290 A V - 0 0 35 -2,-1.7 6,-0.1 -3,-0.3 5,-0.1 -0.844 50.4-143.2 -97.7 130.4 5.9 69.2 12.7 277 291 A L S S+ 0 0 29 -2,-0.5 2,-0.8 -52,-0.2 -99,-0.2 0.943 89.3 68.4 -58.9 -46.1 6.4 65.4 13.1 278 292 A D S > S- 0 0 16 1,-0.2 3,-2.2 -3,-0.1 4,-0.4 -0.632 72.8-157.2 -79.0 108.4 6.5 64.8 9.3 279 293 A S G > S+ 0 0 23 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.705 91.0 63.9 -59.8 -21.7 9.8 66.4 8.1 280 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.701 107.4 43.1 -73.7 -21.0 8.3 66.7 4.6 281 295 A K G < S+ 0 0 98 -3,-2.2 -1,-0.2 2,-0.1 2,-0.2 0.333 88.1 112.8-105.3 3.0 5.7 69.1 6.0 282 296 A R S < S- 0 0 7 -3,-0.5 -8,-0.2 -4,-0.4 -9,-0.1 -0.557 78.0-104.7 -76.8 141.2 8.1 71.1 8.2 283 297 A I - 0 0 20 -10,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.348 37.2-127.8 -64.2 142.2 8.6 74.7 7.1 284 298 A T > - 0 0 53 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.489 20.9-107.6 -87.0 168.6 12.0 75.3 5.4 285 299 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -150,-0.2 0.936 120.5 48.8 -61.3 -46.7 14.5 78.0 6.5 286 300 A A H > S+ 0 0 47 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.899 114.3 46.1 -60.6 -41.7 13.8 80.1 3.4 287 301 A Q H >4 S+ 0 0 115 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.921 109.4 55.4 -67.2 -43.2 10.0 79.8 4.0 288 302 A A H >< S+ 0 0 0 -4,-3.0 3,-2.5 1,-0.3 6,-0.2 0.906 98.1 62.5 -57.3 -41.2 10.4 80.6 7.7 289 303 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.730 102.3 51.9 -58.5 -22.1 12.3 83.8 6.9 290 304 A A T << S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.434 83.1 118.7 -94.0 -0.8 9.1 85.1 5.1 291 305 A H S X S- 0 0 24 -3,-2.5 3,-2.2 -4,-0.3 7,-0.1 -0.401 76.8-117.9 -66.1 144.7 6.9 84.3 8.1 292 306 A A G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.697 107.7 75.2 -56.7 -23.0 5.2 87.4 9.6 293 307 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -27,-0.2 3,-0.3 0.778 99.1 45.2 -62.2 -24.6 7.0 86.8 12.9 294 308 A F G X> S+ 0 0 0 -3,-2.2 4,-3.0 -6,-0.2 3,-1.7 0.038 74.4 125.0-107.0 24.9 10.1 88.2 11.3 295 309 A A T <4 S+ 0 0 62 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.883 73.2 51.2 -50.2 -45.1 8.4 91.2 9.6 296 310 A Q T 34 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.613 123.1 29.0 -71.0 -12.9 10.8 93.7 11.2 297 311 A Y T <4 S+ 0 0 65 -3,-1.7 -2,-0.2 -8,-0.1 -1,-0.2 0.639 88.4 110.9-120.4 -23.0 13.9 91.8 10.0 298 312 A H < + 0 0 67 -4,-3.0 -8,-0.1 -7,-0.1 5,-0.1 -0.338 31.3 164.6 -62.4 132.7 13.0 90.0 6.8 299 313 A D > - 0 0 67 -2,-0.1 3,-1.8 3,-0.1 -9,-0.0 -0.816 24.9-161.1-152.4 105.7 14.7 91.2 3.6 300 314 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.0 0.615 92.8 58.7 -63.3 -13.2 14.7 89.0 0.4 301 315 A D T 3 S+ 0 0 152 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.528 109.1 43.9 -94.9 -4.6 17.5 91.0 -1.0 302 316 A D S < S+ 0 0 76 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.1 -0.256 88.6 85.5-133.4 45.5 19.9 90.2 1.9 303 317 A E - 0 0 8 -3,-0.4 -1,-0.1 -5,-0.1 -14,-0.0 -0.468 65.2-176.2-142.6 63.5 19.3 86.5 2.5 304 318 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.050 19.1-136.8 -65.8 160.5 21.8 84.9 0.1 305 319 A V - 0 0 83 1,-0.1 -169,-0.2 -166,-0.1 2,-0.1 -0.638 34.9 -90.6-107.0 170.8 22.4 81.3 -0.7 306 320 A A - 0 0 15 -170,-0.7 3,-0.1 -171,-0.2 -1,-0.1 -0.437 34.3-102.7 -87.4 159.4 25.8 79.7 -1.2 307 321 A D - 0 0 118 -234,-0.2 -1,-0.1 1,-0.2 -234,-0.0 -0.270 66.7 -67.6 -68.3 160.5 28.0 79.2 -4.2 308 322 A P - 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.295 55.1-145.1 -53.9 131.8 28.0 75.7 -5.5 309 323 A Y - 0 0 26 -3,-0.1 2,-1.0 -169,-0.0 -239,-0.0 -0.918 0.5-146.6-108.6 116.1 29.7 73.4 -3.0 310 324 A D + 0 0 92 -2,-0.6 3,-0.2 1,-0.1 -170,-0.0 -0.675 36.7 150.3 -82.0 101.1 31.7 70.5 -4.3 311 325 A Q > + 0 0 51 -2,-1.0 3,-2.0 1,-0.1 4,-0.2 -0.052 24.3 125.0-121.7 34.1 31.3 67.7 -1.8 312 326 A S G > + 0 0 50 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.687 63.1 76.6 -63.9 -16.8 31.7 64.7 -4.1 313 327 A F G > S+ 0 0 10 1,-0.2 3,-1.5 -3,-0.2 -1,-0.3 0.737 78.9 73.2 -64.9 -23.2 34.5 63.6 -1.7 314 328 A E G < S+ 0 0 59 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 95.5 48.0 -63.4 -28.8 31.7 62.5 0.7 315 329 A S G < S+ 0 0 99 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 -0.009 96.9 103.4-101.5 29.6 30.9 59.5 -1.5 316 330 A R < - 0 0 105 -3,-1.5 2,-0.6 2,-0.0 -3,-0.0 -0.898 56.0-157.9-116.4 141.3 34.5 58.6 -1.7 317 331 A D + 0 0 155 -2,-0.4 2,-0.2 -255,-0.0 -3,-0.1 -0.920 31.7 162.3-117.4 99.0 36.5 55.8 0.1 318 332 A L - 0 0 34 -2,-0.6 -256,-0.1 -260,-0.1 2,-0.1 -0.739 38.7 -99.0-117.1 166.5 40.1 56.7 0.1 319 333 A L >> - 0 0 109 -2,-0.2 4,-2.4 1,-0.1 3,-0.8 -0.375 38.6-105.5 -79.5 160.7 43.2 55.7 2.0 320 334 A I H 3> S+ 0 0 46 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.913 120.5 52.7 -52.2 -47.5 44.6 57.8 4.9 321 335 A D H 3> S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.768 109.2 50.1 -64.0 -24.5 47.5 59.1 2.8 322 336 A E H <> S+ 0 0 85 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.961 112.5 44.8 -76.6 -52.4 45.1 60.3 0.1 323 337 A W H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 114.9 51.3 -55.6 -40.8 42.9 62.1 2.6 324 338 A K H X S+ 0 0 32 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.889 110.2 47.2 -63.9 -43.2 46.0 63.5 4.2 325 339 A S H X S+ 0 0 46 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.906 110.9 51.5 -66.3 -43.0 47.4 64.8 0.9 326 340 A L H X S+ 0 0 59 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.896 111.6 48.2 -59.9 -41.5 44.1 66.4 -0.1 327 341 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.951 109.9 51.3 -63.9 -48.6 44.0 68.1 3.3 328 342 A Y H X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 107.7 53.0 -57.2 -40.9 47.6 69.3 3.0 329 343 A D H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.868 108.9 50.0 -62.4 -38.5 46.9 70.8 -0.5 330 344 A E H X S+ 0 0 37 -4,-1.5 4,-0.5 -3,-0.3 -1,-0.2 0.826 108.1 52.8 -68.6 -35.1 43.9 72.7 0.9 331 345 A V H >< S+ 0 0 14 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.940 112.6 45.3 -65.1 -45.4 46.1 74.1 3.7 332 346 A I H 3< S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.2 49.5 -66.1 -41.7 48.6 75.3 1.2 333 347 A S H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.495 81.9 128.8 -78.8 -4.3 46.1 76.9 -1.3 334 348 A F << - 0 0 33 -3,-0.7 -249,-0.1 -4,-0.5 -3,-0.1 -0.294 37.6-170.5 -58.3 129.8 44.3 78.8 1.4 335 349 A V - 0 0 117 -2,-0.1 -2,-0.1 -251,-0.0 -1,-0.0 -0.987 22.8-125.7-123.4 118.3 43.8 82.5 0.7 336 350 A P 0 0 76 0, 0.0 -253,-0.1 0, 0.0 -252,-0.1 -0.212 360.0 360.0 -63.1 153.3 42.5 84.5 3.6 337 351 A P 0 0 130 0, 0.0 -262,-0.0 0, 0.0 -254,-0.0 -0.127 360.0 360.0 -68.6 360.0 39.3 86.7 3.3