==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-FEB-08 3C5U . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 60.7 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 11.2 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 . 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.8 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+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 2 1 1 0 0 1 1 0 2 0 0 1 1 0 1 0 0 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 2 1 2 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 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 0 232 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.5 -23.7 20.3 91.9 2 5 A R - 0 0 83 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.232 360.0-129.7 -50.4 108.1 -24.4 23.9 90.9 3 6 A P - 0 0 53 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.186 21.7 -99.6 -49.8 173.6 -21.2 25.9 91.7 4 7 A T - 0 0 85 2,-0.0 15,-3.3 0, 0.0 16,-0.2 -0.907 42.3-154.8-103.8 112.3 -21.1 29.1 93.7 5 8 A F B -A 18 0A 29 -2,-0.7 2,-0.4 13,-0.3 12,-0.1 -0.464 6.6-155.5 -86.6 161.7 -20.9 32.1 91.3 6 9 A Y - 0 0 45 11,-3.1 11,-0.5 -2,-0.1 2,-0.1 -0.974 10.9-140.7-140.3 120.8 -19.5 35.5 92.0 7 10 A R + 0 0 144 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.427 30.6 149.8 -80.3 155.8 -20.5 38.7 90.2 8 11 A Q E -B 15 0B 65 7,-1.0 7,-3.3 -2,-0.1 2,-0.2 -0.905 42.4-101.9-177.9 151.0 -18.2 41.5 89.2 9 12 A E E +B 14 0B 100 5,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.584 34.1 169.2 -86.0 146.6 -17.7 44.2 86.5 10 13 A L S S- 0 0 17 3,-1.9 15,-0.0 -2,-0.2 -2,-0.0 -0.632 71.5 -17.8-160.2 92.0 -15.3 43.7 83.6 11 14 A N S S- 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.948 128.6 -44.8 75.8 54.0 -15.4 46.2 80.7 12 15 A K S S+ 0 0 170 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.858 123.5 103.0 59.3 34.5 -18.8 47.7 81.2 13 16 A T S S- 0 0 32 2,-0.0 -3,-1.9 0, 0.0 2,-0.9 -0.938 72.1-127.1-154.1 130.2 -20.1 44.1 81.8 14 17 A I E -B 9 0B 72 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.617 25.5-159.6 -77.2 105.7 -21.1 42.1 84.8 15 18 A W E -B 8 0B 0 -7,-3.3 -7,-1.0 -2,-0.9 2,-0.1 -0.723 9.3-172.5 -86.7 128.2 -19.2 38.8 84.8 16 19 A E + 0 0 51 -2,-0.5 -9,-0.2 -9,-0.2 -1,-0.1 -0.390 23.4 158.4-117.8 55.2 -20.9 36.1 86.9 17 20 A V - 0 0 0 -11,-0.5 -11,-3.1 -12,-0.1 2,-0.1 -0.166 47.9 -91.0 -68.3 167.3 -18.2 33.3 86.7 18 21 A P B > -A 5 0A 6 0, 0.0 3,-2.5 0, 0.0 -13,-0.3 -0.487 36.1-109.1 -80.0 155.9 -18.0 30.6 89.4 19 22 A E T 3 S+ 0 0 101 -15,-3.3 22,-0.2 1,-0.3 -14,-0.1 0.785 113.5 74.7 -52.2 -30.7 -15.8 31.1 92.4 20 23 A R T 3 S+ 0 0 62 -16,-0.2 21,-1.9 20,-0.1 2,-0.7 0.716 85.0 73.9 -57.6 -23.2 -13.4 28.5 91.0 21 24 A Y E < +C 40 0C 2 -3,-2.5 2,-0.3 19,-0.2 19,-0.2 -0.867 69.9 176.7 -98.0 116.7 -12.3 31.1 88.5 22 25 A Q E +C 39 0C 70 17,-2.9 17,-3.8 -2,-0.7 -2,-0.0 -0.862 47.7 25.5-121.8 157.5 -10.1 33.7 90.1 23 26 A N E - 0 0 128 -2,-0.3 2,-0.4 15,-0.2 -1,-0.2 0.946 68.4-169.5 62.0 55.0 -8.1 36.8 89.0 24 27 A L E + 0 0 14 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.626 13.5 165.6 -77.6 125.2 -10.1 37.7 85.9 25 28 A S E -C 37 0C 65 12,-2.1 12,-3.9 -2,-0.4 -15,-0.0 -0.998 37.7-105.7-142.2 138.1 -8.3 40.3 83.9 26 29 A P E -C 36 0C 55 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.105 40.4-172.1 -58.7 162.8 -9.0 41.4 80.3 27 30 A V > + 0 0 39 8,-1.1 3,-0.6 5,-0.2 8,-0.3 -0.925 52.4 39.6-150.7 172.1 -6.6 40.3 77.5 28 31 A G G > S- 0 0 23 -2,-0.3 3,-3.2 1,-0.3 2,-0.9 0.714 99.4-102.5 54.9 23.2 -5.7 40.8 73.9 29 32 A S G 3 S- 0 0 139 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.371 87.1 -42.3 45.7 -5.9 -6.5 44.5 74.2 30 33 A G G < S+ 0 0 47 -2,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 0.132 113.0 110.5 143.6 -21.3 -9.8 43.7 72.5 31 34 A A S < S+ 0 0 73 -3,-3.2 2,-0.5 1,-0.1 -2,-0.1 0.916 76.6 44.6 -43.7 -95.0 -8.8 41.3 69.7 32 35 A Y S > S- 0 0 51 -4,-0.1 3,-0.9 2,-0.0 -5,-0.2 -0.427 114.0-104.5 -58.2 106.5 -10.3 38.0 70.7 33 36 A G T 3 S- 0 0 49 -2,-0.5 2,-1.2 1,-0.2 19,-0.1 0.629 79.2 -17.5 2.0-131.8 -13.7 39.3 71.8 34 37 A S T 3 S+ 0 0 40 17,-0.4 17,-2.6 -8,-0.1 2,-0.3 -0.658 88.2 159.3 -95.7 72.2 -14.6 39.7 75.4 35 38 A V E < - D 0 50C 15 -2,-1.2 -8,-1.1 -3,-0.9 2,-0.4 -0.768 22.8-164.8-102.6 145.6 -11.9 37.4 76.8 36 39 A C E -CD 26 49C 0 13,-2.7 13,-3.6 -2,-0.3 2,-0.5 -0.993 16.6-135.4-133.0 133.6 -10.5 37.3 80.3 37 40 A A E +CD 25 48C 11 -12,-3.9 -12,-2.1 -2,-0.4 2,-0.3 -0.725 38.8 164.1 -85.4 129.3 -7.4 35.7 81.8 38 41 A A E - D 0 47C 4 9,-3.9 9,-2.8 -2,-0.5 2,-0.5 -0.837 37.9-111.7-137.6 175.8 -8.1 33.9 85.0 39 42 A F E -CD 22 46C 81 -17,-3.8 -17,-2.9 -2,-0.3 2,-1.1 -0.943 22.2-142.9-112.3 130.3 -6.7 31.3 87.4 40 43 A D E >>> -CD 21 45C 4 5,-2.9 4,-4.4 -2,-0.5 3,-1.4 -0.767 13.4-173.3 -97.1 94.6 -8.4 28.0 87.7 41 44 A T T 345S+ 0 0 79 -21,-1.9 -1,-0.2 -2,-1.1 -20,-0.1 0.816 84.9 60.6 -53.9 -32.3 -8.2 27.0 91.4 42 45 A K T 345S+ 0 0 138 -22,-0.5 -1,-0.3 1,-0.2 -21,-0.1 0.807 126.5 13.3 -67.5 -29.5 -9.6 23.6 90.5 43 46 A T T <45S- 0 0 73 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.488 92.6-128.4-122.6 -9.9 -6.7 22.8 88.1 44 47 A G T <5 + 0 0 42 -4,-4.4 2,-0.3 1,-0.3 -3,-0.2 0.600 66.4 136.7 69.9 10.0 -4.2 25.5 89.1 45 48 A L E < -D 40 0C 72 -5,-0.7 -5,-2.9 -6,-0.0 2,-0.5 -0.621 63.2-117.7 -90.0 145.9 -4.0 26.2 85.4 46 49 A R E -D 39 0C 176 -2,-0.3 59,-2.0 -7,-0.2 2,-0.3 -0.734 44.9-167.4 -80.6 124.5 -4.0 29.7 84.0 47 50 A V E -DE 38 104C 2 -9,-2.8 -9,-3.9 -2,-0.5 2,-0.5 -0.843 26.6-137.3-121.1 159.8 -7.2 30.0 81.9 48 51 A A E -DE 37 103C 13 55,-3.3 55,-2.4 -2,-0.3 2,-0.5 -0.954 21.5-168.3-111.1 120.8 -8.8 32.2 79.3 49 52 A V E -DE 36 102C 0 -13,-3.6 -13,-2.7 -2,-0.5 2,-0.4 -0.975 2.5-167.4-115.5 116.4 -12.5 32.8 79.9 50 53 A K E -DE 35 101C 46 51,-2.2 51,-3.4 -2,-0.5 2,-0.5 -0.895 9.6-147.3-109.6 131.6 -14.5 34.4 77.1 51 54 A K E - E 0 100C 20 -17,-2.6 -17,-0.4 -2,-0.4 2,-0.4 -0.881 20.5-122.6-100.2 123.7 -18.0 35.7 77.6 52 55 A L - 0 0 12 47,-2.9 2,-0.5 -2,-0.5 47,-0.4 -0.532 29.0-128.9 -70.7 120.5 -20.4 35.5 74.7 53 56 A S S S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 45,-0.1 -0.633 72.3 -30.0 -77.9 119.3 -21.6 39.0 73.9 54 57 A R S > S- 0 0 139 -2,-0.5 3,-1.1 1,-0.1 -1,-0.2 0.898 78.7-177.1 37.4 55.9 -25.4 39.5 73.6 55 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.4 0, 0.0 11,-0.1 0.862 71.2 32.4 -49.2 -49.3 -25.7 35.9 72.4 56 59 A F T 3 S+ 0 0 9 41,-0.2 2,-0.3 1,-0.2 6,-0.1 0.149 79.7 113.4-105.8 24.5 -29.5 35.8 71.8 57 60 A Q S < S+ 0 0 79 -3,-1.1 2,-0.2 4,-0.1 -1,-0.2 -0.012 87.7 1.8 -85.4 31.4 -30.3 39.4 70.6 58 61 A S S > S- 0 0 35 -2,-0.3 4,-2.5 -3,-0.1 3,-0.3 -0.751 77.9-102.1 160.2 154.0 -31.2 38.4 67.0 59 62 A I H > S+ 0 0 66 1,-0.2 4,-2.2 -2,-0.2 5,-0.4 0.924 122.1 57.6 -63.0 -43.6 -31.5 35.3 64.9 60 63 A I H > S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.836 113.1 41.9 -53.7 -32.8 -28.2 36.1 63.3 61 64 A H H > S+ 0 0 67 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.865 110.7 51.3 -84.6 -41.3 -26.7 36.1 66.8 62 65 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.959 114.8 44.3 -60.8 -50.1 -28.4 33.0 68.3 63 66 A K H X S+ 0 0 47 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.912 113.9 51.3 -59.6 -43.5 -27.4 30.9 65.3 64 67 A R H X S+ 0 0 133 -4,-1.0 4,-1.9 -5,-0.4 -1,-0.2 0.904 111.8 47.4 -59.5 -42.6 -23.9 32.4 65.5 65 68 A T H X S+ 0 0 10 -4,-2.7 4,-2.2 -10,-0.4 5,-0.2 0.916 112.3 48.0 -66.4 -46.5 -23.8 31.5 69.2 66 69 A Y H X S+ 0 0 22 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.994 109.5 55.8 -55.5 -57.5 -25.0 28.0 68.6 67 70 A R H X S+ 0 0 50 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.804 107.9 46.6 -46.0 -41.9 -22.4 27.7 65.9 68 71 A E H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.965 112.2 48.0 -68.5 -50.4 -19.5 28.6 68.2 69 72 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.810 112.9 52.7 -59.2 -26.8 -20.5 26.3 71.0 70 73 A R H X S+ 0 0 34 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.964 113.2 40.4 -74.1 -48.5 -20.9 23.6 68.4 71 74 A L H >X S+ 0 0 5 -4,-2.3 3,-2.4 -5,-0.2 4,-1.9 0.990 117.5 47.4 -60.1 -63.3 -17.4 24.1 66.8 72 75 A L H 3< S+ 0 0 15 -4,-2.6 11,-0.8 1,-0.3 -1,-0.2 0.870 107.7 55.8 -49.0 -42.6 -15.6 24.5 70.2 73 76 A K H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.715 112.6 44.8 -63.2 -18.8 -17.3 21.5 71.7 74 77 A H H << S+ 0 0 30 -3,-2.4 2,-1.5 -4,-0.7 234,-0.3 0.764 85.0 98.1 -94.0 -33.9 -16.0 19.5 68.8 75 78 A M < + 0 0 3 -4,-1.9 2,-0.5 6,-0.1 8,-0.3 -0.436 40.5 152.9 -65.2 90.9 -12.4 20.8 68.7 76 79 A K + 0 0 156 -2,-1.5 2,-0.3 6,-0.1 -1,-0.1 -0.783 29.8 111.0-119.8 80.1 -10.6 18.0 70.6 77 80 A H B > S-G 80 0D 22 3,-0.5 3,-1.7 -2,-0.5 57,-0.1 -0.986 73.7-113.5-155.0 145.6 -7.0 18.1 69.3 78 81 A E T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.826 114.0 43.2 -46.0 -42.0 -3.6 19.1 70.6 79 82 A N T 3 S+ 0 0 4 83,-0.1 84,-2.6 51,-0.1 2,-0.3 -0.069 102.7 74.4-102.4 36.2 -3.2 22.1 68.3 80 83 A V B < S-Gh 77 163D 3 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.978 86.8-102.0-149.3 132.7 -6.7 23.6 68.5 81 84 A I - 0 0 7 82,-2.4 2,-0.3 -2,-0.3 -6,-0.1 -0.279 48.3-176.1 -54.2 121.2 -8.5 25.7 71.2 82 85 A G - 0 0 16 -4,-0.1 2,-0.4 -8,-0.1 22,-0.3 -0.832 30.2 -95.1-120.8 160.8 -10.9 23.3 73.0 83 86 A L + 0 0 14 -11,-0.8 20,-0.2 -2,-0.3 3,-0.1 -0.618 33.7 172.0 -79.5 130.2 -13.4 23.9 75.7 84 87 A L S S+ 0 0 49 18,-5.0 2,-0.3 1,-0.4 19,-0.2 0.772 76.7 3.8 -98.4 -36.1 -12.3 23.2 79.2 85 88 A D E -F 102 0C 26 17,-1.3 17,-2.3 252,-0.1 -1,-0.4 -0.968 51.9-171.6-147.3 157.2 -15.6 24.6 80.6 86 89 A V E +F 101 0C 9 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.946 29.2 160.2-146.1 119.9 -18.9 26.0 79.5 87 90 A F E -F 100 0C 13 13,-1.7 13,-1.8 -2,-0.3 3,-0.1 -0.874 24.2-161.9-139.1 176.4 -21.1 27.6 82.2 88 91 A T - 0 0 18 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.941 24.2-138.6-161.2 134.9 -24.0 29.9 82.8 89 92 A P S S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -84,-0.1 0.967 80.1 97.2 -56.7 -49.2 -25.3 31.7 85.9 90 93 A A - 0 0 13 5,-0.2 -2,-0.2 1,-0.1 3,-0.1 0.165 56.3-164.3 -37.9 151.1 -28.8 30.8 84.9 91 94 A R S S+ 0 0 171 -89,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.405 72.6 39.1-118.3 -7.9 -30.5 27.8 86.5 92 95 A S S > S- 0 0 27 1,-0.1 4,-2.0 0, 0.0 -2,-0.0 -0.864 84.0-110.7-135.5 171.5 -33.3 27.6 83.9 93 96 A L T 4 S+ 0 0 52 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.962 121.2 54.7 -66.9 -45.5 -34.0 27.9 80.2 94 97 A E T 4 S+ 0 0 157 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.912 110.6 43.9 -50.4 -52.1 -35.9 31.1 81.1 95 98 A E T 4 S+ 0 0 111 -6,-0.1 -1,-0.2 2,-0.0 -2,-0.2 0.856 89.3 111.9 -61.8 -39.5 -33.0 32.5 83.0 96 99 A F < + 0 0 0 -4,-2.0 3,-0.1 1,-0.2 233,-0.1 -0.122 22.4 124.4 -45.0 116.0 -30.5 31.5 80.3 97 100 A N + 0 0 66 1,-0.2 2,-0.3 -42,-0.0 -41,-0.2 0.178 60.1 60.3-159.1 17.9 -29.1 34.6 78.4 98 101 A D - 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0 0 8 -4,-1.9 -3,-0.1 26,-0.4 3,-0.1 0.499 37.2 -63.4 76.1 143.1 3.8 33.7 37.9 228 241 A T - 0 0 19 24,-1.7 26,-0.1 1,-0.1 23,-0.0 -0.275 67.9 -86.8 -60.7 138.4 0.6 34.8 36.0 229 242 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.050 44.6-131.8 -43.8 135.6 -2.1 32.2 35.5 230 243 A G > - 0 0 46 -3,-0.1 4,-1.3 1,-0.0 -3,-0.0 0.012 30.7 -91.3 -76.9-166.3 -1.6 30.0 32.5 231 244 A A H >> S+ 0 0 66 2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.990 121.9 48.2 -74.3 -63.7 -4.4 29.3 30.0 232 245 A E H 3> S+ 0 0 149 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.744 113.9 51.5 -49.0 -27.2 -5.9 26.1 31.3 233 246 A L H >> S+ 0 0 40 2,-0.2 3,-1.0 1,-0.2 4,-0.8 0.892 99.9 59.7 -79.6 -40.9 -6.0 27.8 34.7 234 247 A L H << S+ 0 0 17 -4,-1.3 3,-0.5 -3,-0.6 -2,-0.2 0.812 95.2 66.8 -57.2 -28.4 -7.7 30.9 33.6 235 248 A K H 3< S+ 0 0 161 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.939 92.4 60.7 -56.9 -45.6 -10.5 28.6 32.5 236 249 A K H << S+ 0 0 95 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.835 82.4 91.2 -50.8 -40.0 -11.1 27.8 36.2 237 250 A I < - 0 0 15 -4,-0.8 6,-0.1 -3,-0.5 -58,-0.0 -0.451 62.8-164.3 -60.1 118.5 -11.9 31.5 36.9 238 251 A S + 0 0 84 -2,-0.3 2,-0.3 -56,-0.1 -1,-0.2 0.814 64.6 81.8 -77.1 -33.6 -15.7 31.7 36.5 239 252 A S > - 0 0 48 1,-0.1 4,-2.0 -57,-0.1 5,-0.1 -0.592 64.7-155.1 -77.8 134.7 -15.8 35.5 36.3 240 253 A E H > S+ 0 0 113 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.843 97.0 58.6 -76.7 -32.0 -15.0 37.0 32.9 241 254 A S H > S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.959 109.0 44.6 -59.2 -50.7 -14.0 40.3 34.7 242 255 A A H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 112.4 51.3 -58.4 -51.5 -11.4 38.3 36.6 243 256 A R H X S+ 0 0 62 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.968 115.6 41.3 -50.6 -59.3 -10.2 36.4 33.6 244 257 A N H X S+ 0 0 98 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.880 109.1 60.7 -56.0 -45.6 -9.7 39.6 31.6 245 258 A Y H X S+ 0 0 69 -4,-3.0 4,-0.6 -5,-0.3 -1,-0.2 0.945 109.7 40.5 -48.7 -56.1 -8.2 41.5 34.5 246 259 A I H >< S+ 0 0 16 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.933 116.5 49.5 -59.8 -47.6 -5.3 39.1 34.8 247 260 A Q H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.854 103.9 61.5 -60.7 -33.2 -4.9 38.8 31.1 248 261 A S H 3< S+ 0 0 96 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.707 96.3 80.2 -65.1 -20.2 -5.0 42.6 30.9 249 262 A L S << S- 0 0 25 -3,-1.6 2,-0.5 -4,-0.6 3,-0.0 -0.446 97.7 -88.3 -88.9 163.9 -1.8 42.6 33.1 250 263 A T - 0 0 115 -2,-0.1 -22,-0.1 1,-0.1 -1,-0.1 -0.590 49.3-110.9 -74.7 117.2 1.8 42.1 32.1 251 264 A Q - 0 0 117 -2,-0.5 -1,-0.1 -4,-0.2 -4,-0.0 -0.160 35.0-159.0 -49.4 130.7 2.6 38.4 32.1 252 265 A M - 0 0 25 -29,-0.0 -24,-1.7 -3,-0.0 2,-0.2 -0.946 11.9-126.9-117.4 137.1 5.1 37.7 34.9 253 266 A P - 0 0 107 0, 0.0 2,-0.5 0, 0.0 -26,-0.4 -0.532 34.0 -95.2 -82.9 154.7 7.3 34.6 35.0 254 267 A K - 0 0 111 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.546 41.8-140.4 -70.3 116.6 7.4 32.2 38.0 255 268 A M - 0 0 94 -30,-2.0 2,-0.7 -2,-0.5 3,-0.1 -0.246 20.9-107.6 -69.4 163.8 10.3 33.3 40.2 256 269 A N >> - 0 0 75 1,-0.2 3,-3.2 2,-0.0 4,-1.2 -0.879 15.9-151.2-100.0 112.7 12.5 30.6 41.8 257 270 A F H 3> S+ 0 0 2 -2,-0.7 4,-3.7 1,-0.3 -1,-0.2 0.808 97.2 70.3 -49.7 -29.3 11.8 30.4 45.5 258 271 A A H 34 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.801 103.8 40.7 -58.2 -29.6 15.4 29.2 45.7 259 272 A N H <4 S+ 0 0 110 -3,-3.2 3,-0.4 3,-0.1 -1,-0.3 0.702 118.0 46.3 -92.0 -23.7 16.4 32.7 44.8 260 273 A V H < S+ 0 0 60 -4,-1.2 2,-0.8 1,-0.2 -2,-0.2 0.910 117.9 40.2 -82.8 -47.9 13.8 34.4 47.0 261 274 A F S >< S+ 0 0 12 -4,-3.7 3,-0.6 -5,-0.1 -1,-0.2 -0.527 83.2 161.1-101.6 63.6 14.4 32.4 50.1 262 275 A I T 3 + 0 0 121 -2,-0.8 3,-0.1 -3,-0.4 -3,-0.1 -0.569 61.1 28.7 -86.1 150.7 18.2 32.1 50.0 263 276 A G T 3 S+ 0 0 86 1,-0.4 -1,-0.2 -2,-0.2 2,-0.2 0.203 102.9 109.5 85.2 -14.6 20.2 31.2 53.1 264 277 A A S < S- 0 0 29 -3,-0.6 -1,-0.4 1,-0.1 -3,-0.0 -0.543 86.2 -74.5 -92.3 158.9 17.1 29.3 54.1 265 278 A N > - 0 0 49 -2,-0.2 4,-2.4 1,-0.1 -1,-0.1 -0.215 31.8-141.1 -53.5 131.8 16.7 25.6 54.3 266 279 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.698 103.4 56.6 -68.5 -17.6 16.4 23.9 50.8 267 280 A L H > S+ 0 0 68 2,-0.2 4,-1.5 3,-0.1 27,-0.3 0.861 107.0 46.4 -80.0 -39.5 13.8 21.6 52.3 268 281 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 3,-0.5 0.978 112.0 53.5 -63.1 -54.5 11.6 24.4 53.5 269 282 A V H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.3 -2,-0.2 0.898 106.7 48.9 -46.6 -54.6 11.9 26.0 50.1 270 283 A D H X S+ 0 0 57 -4,-1.9 4,-0.7 2,-0.2 -1,-0.3 0.881 114.4 49.2 -56.0 -36.4 10.8 22.9 48.2 271 284 A L H >X S+ 0 0 0 -4,-1.5 3,-2.7 -3,-0.5 4,-1.0 0.983 108.7 49.5 -63.8 -59.9 7.9 22.8 50.7 272 285 A L H >X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.3 3,-1.0 0.875 106.6 59.6 -46.0 -40.9 7.0 26.5 50.2 273 286 A E H 3< S+ 0 0 40 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.772 105.1 47.7 -61.4 -27.5 7.1 25.7 46.5 274 287 A K H << S+ 0 0 93 -3,-2.7 10,-1.4 -4,-0.7 -1,-0.3 0.595 119.3 39.1 -89.5 -12.1 4.4 23.1 47.0 275 288 A M H << S+ 0 0 0 -4,-1.0 2,-2.8 -3,-1.0 -2,-0.2 0.872 101.5 63.9 -99.3 -62.0 2.2 25.4 49.0 276 289 A L S < S+ 0 0 2 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 -0.371 76.6 134.1 -68.5 73.3 2.4 28.9 47.5 277 290 A V - 0 0 38 -2,-2.8 6,-0.1 -3,-0.2 5,-0.1 -0.918 58.9-135.6-123.0 147.5 0.8 27.8 44.2 278 291 A L S S+ 0 0 40 -2,-0.3 2,-1.4 -52,-0.3 -99,-0.1 0.912 91.5 72.1 -71.4 -40.5 -1.9 29.6 42.2 279 292 A D >> - 0 0 20 1,-0.2 3,-4.2 2,-0.1 4,-0.9 -0.602 65.2-166.3 -79.3 92.0 -4.0 26.5 41.5 280 293 A S T 34 S+ 0 0 10 -2,-1.4 -90,-0.2 1,-0.3 -1,-0.2 0.725 89.1 64.4 -50.1 -20.0 -5.5 25.6 44.9 281 294 A D T 34 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.505 105.2 43.9 -81.2 -5.3 -6.3 22.3 43.2 282 295 A K T <4 S+ 0 0 161 -3,-4.2 -2,-0.2 -7,-0.1 -1,-0.2 0.467 90.0 109.4-115.6 -7.6 -2.6 21.6 42.9 283 296 A R S < S- 0 0 10 -4,-0.9 2,-0.3 -3,-0.2 -8,-0.2 -0.197 78.5 -97.0 -66.6 160.2 -1.5 22.8 46.4 284 297 A I - 0 0 16 -10,-1.4 -1,-0.1 -13,-0.2 -2,-0.1 -0.634 35.1-124.5 -83.4 136.5 -0.4 20.2 49.0 285 298 A T > - 0 0 53 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.165 26.5-109.6 -66.7 169.5 -3.0 19.1 51.5 286 299 A A H > S+ 0 0 4 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.992 120.9 51.1 -64.2 -58.2 -2.1 19.5 55.2 287 300 A A H >> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.849 109.8 50.8 -44.4 -46.7 -1.8 15.7 55.6 288 301 A Q H >4 S+ 0 0 109 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.961 106.3 52.3 -59.8 -53.8 0.6 15.6 52.5 289 302 A A H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.669 100.4 66.9 -58.6 -14.9 2.9 18.4 53.8 290 303 A L H << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.861 98.7 48.3 -75.3 -36.4 3.2 16.5 57.0 291 304 A A S << S+ 0 0 69 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.412 90.3 120.0 -82.6 1.3 5.1 13.6 55.4 292 305 A H S > S- 0 0 19 -4,-0.4 3,-1.3 -3,-0.4 7,-0.2 -0.342 76.5-115.8 -66.9 149.9 7.3 16.2 53.8 293 306 A A G > S+ 0 0 44 1,-0.2 3,-3.8 2,-0.2 4,-0.3 0.945 107.0 69.5 -46.5 -67.1 11.0 16.0 54.6 294 307 A Y G 3 S+ 0 0 3 1,-0.3 3,-0.3 -27,-0.3 -1,-0.2 0.659 106.5 41.6 -27.9 -32.6 11.3 19.4 56.4 295 308 A F G X> S+ 0 0 0 -3,-1.3 4,-3.5 -6,-0.2 3,-1.2 -0.046 79.6 115.7-111.2 29.8 9.2 17.9 59.2 296 309 A A T <4 S+ 0 0 66 -3,-3.8 -1,-0.2 1,-0.3 -2,-0.1 0.846 74.3 53.3 -67.3 -34.6 11.0 14.5 59.2 297 310 A Q T 34 S+ 0 0 173 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.302 123.2 30.4 -83.7 10.3 12.4 15.1 62.7 298 311 A Y T <4 S+ 0 0 57 -3,-1.2 -2,-0.2 -8,-0.1 -1,-0.2 0.512 93.5 108.1-134.3 -32.8 8.9 15.8 63.9 299 312 A H < + 0 0 54 -4,-3.5 -8,-0.1 -6,-0.2 -3,-0.0 0.174 31.0 162.6 -45.6 170.4 6.6 13.6 61.7 300 313 A D > - 0 0 67 -10,-0.1 3,-2.2 4,-0.0 -9,-0.0 -0.204 25.6-158.0 165.0 91.7 4.9 10.5 63.0 301 314 A P G > S+ 0 0 86 0, 0.0 3,-0.8 0, 0.0 -10,-0.0 0.896 93.8 60.0 -52.4 -41.9 1.9 9.1 61.1 302 315 A D G 3 S+ 0 0 156 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.553 108.1 45.7 -67.2 -6.4 0.7 7.3 64.2 303 316 A D G < S+ 0 0 72 -3,-2.2 -1,-0.3 1,-0.1 0, 0.0 -0.393 84.6 87.9-134.3 58.2 0.3 10.7 66.0 304 317 A E < - 0 0 15 -3,-0.8 -1,-0.1 -168,-0.0 -14,-0.0 -0.544 67.9-167.6-152.1 67.2 -1.4 13.0 63.5 305 318 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.015 14.1-129.0 -63.4 160.2 -5.1 12.3 64.3 306 319 A V - 0 0 87 1,-0.1 -169,-0.2 -166,-0.1 -168,-0.1 -0.796 27.9-103.3-112.7 153.5 -8.3 13.2 62.4 307 320 A A - 0 0 8 -170,-1.2 3,-0.1 -2,-0.3 -1,-0.1 -0.294 36.5-106.9 -71.4 160.7 -11.4 14.9 63.7 308 321 A D - 0 0 116 -234,-0.3 -1,-0.1 1,-0.2 -232,-0.0 -0.351 59.1 -74.4 -75.1 166.6 -14.5 12.9 64.4 309 322 A P - 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.294 48.8-146.2 -62.4 159.4 -17.2 13.6 61.8 310 323 A Y - 0 0 26 -169,-0.2 2,-1.0 -170,-0.1 -239,-0.0 -0.941 1.6-151.8-133.2 110.4 -18.9 17.0 62.3 311 324 A D + 0 0 105 -2,-0.4 3,-0.4 1,-0.1 -170,-0.0 -0.692 23.2 166.3 -83.4 97.8 -22.6 17.4 61.4 312 325 A Q > + 0 0 42 -2,-1.0 3,-2.2 1,-0.2 4,-0.4 0.149 35.6 122.7 -99.8 23.5 -23.1 21.1 60.3 313 326 A S G > + 0 0 46 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.769 59.4 78.7 -51.0 -27.3 -26.5 20.4 58.9 314 327 A F G > S+ 0 0 10 -3,-0.4 3,-2.1 1,-0.3 -1,-0.3 0.794 77.5 67.4 -52.8 -35.8 -27.7 23.0 61.3 315 328 A E G < S+ 0 0 58 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.763 95.9 58.3 -59.0 -25.2 -26.5 25.9 59.1 316 329 A S G < S+ 0 0 91 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.586 90.8 91.7 -81.5 -12.5 -29.2 24.8 56.7 317 330 A R < - 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0 0 35 -3,-1.5 -249,-0.1 -4,-0.3 -3,-0.0 -0.495 46.7-164.9 -73.7 137.7 -21.0 19.7 77.7 336 349 A V - 0 0 116 -2,-0.2 -1,-0.1 -263,-0.1 -251,-0.1 -0.765 20.6-132.1-127.5 86.3 -18.8 17.1 79.4 337 350 A P - 0 0 73 0, 0.0 -253,-0.1 0, 0.0 -252,-0.1 0.173 27.8-112.7 -30.3 151.6 -15.5 18.6 80.5 338 351 A P 0 0 71 0, 0.0 -254,-0.0 0, 0.0 0, 0.0 -0.102 360.0 360.0 -83.3-174.5 -12.4 16.6 79.5 339 352 A P 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.776 360.0 360.0 -97.0 360.0 -9.9 14.7 81.8