==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAR-09 3GI3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.C.QIAN . 330 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 60.9 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 . 37 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 . 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.5 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 0 0 1 1 0 1 1 0 0 2 0 0 1 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 2 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 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 0 147 0, 0.0 84,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.2 56.6 44.2 5.9 2 6 A P - 0 0 78 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.126 360.0-103.8 -72.7 175.1 55.9 45.7 9.3 3 7 A T - 0 0 78 2,-0.0 15,-2.3 0, 0.0 16,-0.2 -0.922 38.2-157.8-107.4 114.8 57.9 45.0 12.5 4 8 A F E -A 17 0A 28 -2,-0.6 2,-0.3 13,-0.3 11,-0.1 -0.439 5.5-160.4 -88.0 163.5 56.2 42.6 14.9 5 9 A Y E -A 16 0A 56 11,-1.9 11,-1.5 -2,-0.1 2,-0.1 -0.996 13.2-130.7-143.8 143.1 56.7 42.2 18.6 6 10 A R + 0 0 171 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.459 29.6 157.2 -93.0 168.3 55.9 39.3 20.9 7 11 A Q - 0 0 68 7,-0.4 7,-3.7 -2,-0.1 2,-0.5 -0.906 33.7-121.9 179.6 153.7 54.1 39.2 24.2 8 12 A E B -B 13 0B 135 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.952 20.8-175.5-116.8 123.7 52.2 36.8 26.4 9 13 A L S S- 0 0 23 3,-3.8 15,-0.0 -2,-0.5 -2,-0.0 -0.942 75.5 -22.1-120.0 109.4 48.6 37.5 27.5 10 14 A N S S- 0 0 84 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.982 129.7 -45.4 56.1 62.0 47.1 35.0 30.0 11 15 A K S S+ 0 0 191 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.751 119.3 119.9 54.2 25.6 49.5 32.2 29.1 12 16 A T - 0 0 41 2,-0.0 -3,-3.8 -3,-0.0 2,-0.4 -0.982 60.4-136.2-125.3 125.3 48.8 33.1 25.4 13 17 A I B -B 8 0B 60 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.631 21.3-172.0 -82.1 130.6 51.5 34.3 23.0 14 18 A W - 0 0 5 -7,-3.7 2,-0.6 -2,-0.4 -7,-0.4 -0.982 10.2-177.3-128.1 123.7 50.7 37.2 20.7 15 19 A E + 0 0 58 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.922 23.5 152.1-122.6 104.7 52.9 38.5 17.9 16 20 A V E -A 5 0A 1 -11,-1.5 -11,-1.9 -2,-0.6 -2,-0.0 -0.878 49.3 -82.5-131.5 161.4 51.5 41.6 16.2 17 21 A P E > -A 4 0A 6 0, 0.0 3,-1.7 0, 0.0 -13,-0.3 -0.282 41.3-116.3 -60.4 146.1 52.8 44.7 14.3 18 22 A E T 3 S+ 0 0 105 -15,-2.3 17,-0.2 1,-0.3 -14,-0.1 0.754 108.7 81.5 -55.0 -24.7 54.1 47.5 16.5 19 23 A R T 3 S+ 0 0 75 -16,-0.2 16,-2.5 15,-0.1 2,-0.6 0.900 84.1 63.6 -47.7 -46.0 51.2 49.5 15.0 20 24 A Y E < S+C 34 0C 1 -3,-1.7 2,-0.2 14,-0.2 14,-0.2 -0.747 75.9 177.1 -87.7 120.6 48.8 47.9 17.5 21 25 A Q E +C 33 0C 77 12,-2.8 12,-3.0 -2,-0.6 -2,-0.0 -0.721 46.8 29.8-120.0 168.9 49.8 48.9 21.0 22 26 A N E S- 0 0 125 -2,-0.2 -1,-0.2 10,-0.2 2,-0.1 0.921 73.0-157.7 49.2 57.3 48.5 48.3 24.6 23 27 A L E - 0 0 15 -3,-0.2 9,-0.2 9,-0.1 -1,-0.2 -0.415 12.3-174.9 -66.1 135.5 47.0 44.9 24.0 24 28 A S E -C 31 0C 59 7,-3.0 7,-3.8 -2,-0.1 -15,-0.0 -0.987 25.2-118.7-137.9 125.4 44.3 44.0 26.5 25 29 A P E C 30 0C 72 0, 0.0 5,-0.2 0, 0.0 -15,-0.0 -0.311 360.0 360.0 -60.9 141.3 42.4 40.6 26.8 26 30 A V 0 0 119 3,-1.9 3,-0.3 0, 0.0 16,-0.0 -0.471 360.0 360.0-144.3 360.0 38.6 40.8 26.3 27 ! 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 28 37 A S 0 0 81 0, 0.0 17,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.4 41.0 34.5 22.0 29 38 A V E - D 0 44C 41 -3,-0.3 -3,-1.9 15,-0.2 2,-0.4 -0.911 360.0-164.5-122.8 148.8 40.4 38.3 21.4 30 39 A C E -CD 25 43C 2 13,-3.1 13,-4.0 -2,-0.3 2,-0.3 -0.994 15.0-139.5-134.3 138.3 42.4 41.4 22.4 31 40 A A E +CD 24 42C 3 -7,-3.8 -7,-3.0 -2,-0.4 2,-0.3 -0.713 35.9 169.2 -90.1 145.7 41.5 45.0 22.5 32 41 A A E - D 0 41C 0 9,-2.5 9,-2.3 -2,-0.3 2,-0.6 -0.948 38.0-109.2-150.9 172.4 44.3 47.3 21.3 33 42 A F E -CD 21 40C 69 -12,-3.0 -12,-2.8 -2,-0.3 2,-1.0 -0.933 25.8-146.8-111.4 113.3 45.2 50.8 20.3 34 43 A D E >>> -CD 20 39C 1 5,-2.4 4,-3.1 -2,-0.6 3,-1.4 -0.706 7.2-163.9 -83.3 104.4 45.8 51.2 16.6 35 44 A T T 345S+ 0 0 85 -16,-2.5 -1,-0.2 -2,-1.0 -15,-0.1 0.678 82.7 68.5 -60.4 -21.8 48.5 53.9 16.4 36 45 A K T 345S+ 0 0 161 -17,-0.2 -1,-0.3 1,-0.1 -16,-0.1 0.803 122.4 11.3 -71.6 -25.5 47.8 54.5 12.6 37 46 A T T <45S- 0 0 76 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.602 92.9-121.1-125.0 -20.0 44.4 56.0 13.5 38 47 A G T <5S+ 0 0 37 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.494 73.6 125.5 87.0 2.9 44.2 56.6 17.2 39 48 A H E < -D 34 0C 117 -5,-0.6 -5,-2.4 -6,-0.0 -1,-0.3 -0.687 64.9-115.5 -98.1 149.9 41.2 54.3 17.3 40 49 A R E -D 33 0C 127 -2,-0.3 59,-2.4 -7,-0.2 2,-0.3 -0.660 37.3-172.4 -84.6 136.9 40.7 51.2 19.5 41 50 A V E -DE 32 98C 0 -9,-2.3 -9,-2.5 -2,-0.3 2,-0.5 -0.825 23.5-123.1-126.7 164.8 40.4 47.9 17.7 42 51 A A E -DE 31 97C 19 55,-3.4 55,-2.1 -2,-0.3 2,-0.6 -0.941 22.1-159.8-110.6 128.6 39.6 44.3 18.5 43 52 A V E -DE 30 96C 1 -13,-4.0 -13,-3.1 -2,-0.5 2,-0.6 -0.946 4.3-165.9-113.7 119.1 42.2 41.7 17.5 44 53 A K E -DE 29 95C 57 51,-2.8 51,-2.6 -2,-0.6 2,-0.6 -0.917 3.0-161.2-108.9 120.6 41.0 38.1 17.2 45 54 A K E - E 0 94C 22 -17,-2.4 49,-0.2 -2,-0.6 2,-0.2 -0.883 22.4-126.1-100.2 123.8 43.7 35.4 17.0 46 55 A L - 0 0 12 47,-2.2 47,-0.3 -2,-0.6 13,-0.0 -0.479 19.1-130.1 -70.7 138.6 42.4 32.1 15.6 47 56 A S S S- 0 0 95 1,-0.2 46,-0.1 -2,-0.2 3,-0.1 0.914 80.0 -23.8 -51.6-104.1 43.0 29.1 17.8 48 57 A R S > S- 0 0 157 1,-0.1 3,-2.0 44,-0.1 4,-0.4 -0.687 73.1-177.1-116.6 75.8 44.6 26.3 15.9 49 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.704 79.6 27.7 -42.2 -37.7 43.4 27.3 12.4 50 59 A F T 3 S+ 0 0 17 41,-0.3 268,-0.1 5,-0.1 3,-0.0 0.067 81.3 114.1-121.5 25.0 44.9 24.3 10.5 51 60 A Q S < S+ 0 0 107 -3,-2.0 2,-0.3 1,-0.1 -1,-0.1 0.860 91.3 5.6 -62.7 -36.6 44.9 21.6 13.2 52 61 A S S > S- 0 0 41 -4,-0.4 4,-2.9 -3,-0.1 5,-0.2 -0.893 80.8-104.2-140.2 168.8 42.4 19.6 11.2 53 62 A I H > S+ 0 0 72 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.859 123.2 54.7 -63.1 -34.6 40.7 19.8 7.8 54 63 A I H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 111.7 42.7 -66.2 -40.2 37.6 21.0 9.7 55 64 A H H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.935 113.1 53.1 -70.5 -47.4 39.5 23.8 11.4 56 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 111.8 43.9 -54.2 -48.6 41.4 24.8 8.2 57 66 A K H X S+ 0 0 33 -4,-2.4 4,-3.4 2,-0.2 -1,-0.2 0.880 113.3 52.0 -66.6 -37.0 38.2 25.1 6.2 58 67 A R H X S+ 0 0 128 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.899 109.2 50.7 -65.4 -40.4 36.5 27.0 9.0 59 68 A T H X S+ 0 0 9 -4,-3.0 4,-2.2 -10,-0.5 -2,-0.2 0.954 113.6 44.3 -60.3 -51.0 39.5 29.4 9.1 60 69 A Y H X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.939 110.7 55.8 -58.7 -48.0 39.2 29.9 5.4 61 70 A R H X S+ 0 0 81 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.896 110.3 44.4 -52.8 -45.0 35.4 30.3 5.6 62 71 A E H X S+ 0 0 46 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.880 113.0 49.9 -71.2 -37.8 35.8 33.1 8.2 63 72 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.954 114.1 45.0 -65.0 -50.0 38.5 35.0 6.4 64 73 A R H X S+ 0 0 27 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.958 116.7 45.1 -58.4 -53.1 36.6 34.9 3.1 65 74 A L H >X S+ 0 0 43 -4,-2.4 4,-1.5 -5,-0.3 3,-0.6 0.938 115.7 46.5 -58.3 -48.0 33.3 35.9 4.7 66 75 A L H 3< S+ 0 0 19 -4,-2.9 11,-0.8 1,-0.2 -1,-0.2 0.852 109.1 55.5 -63.5 -33.7 35.0 38.6 6.8 67 76 A K H 3< S+ 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.760 111.7 45.0 -69.8 -23.6 36.9 39.9 3.7 68 77 A H H << S+ 0 0 36 -4,-1.4 2,-0.5 -3,-0.6 233,-0.2 0.703 86.2 102.0 -93.0 -24.0 33.6 40.3 1.9 69 78 A M < + 0 0 11 -4,-1.5 8,-0.5 -5,-0.2 2,-0.2 -0.489 35.1 157.3 -69.8 114.4 31.5 42.0 4.6 70 79 A K + 0 0 157 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.645 27.4 116.5-138.7 78.2 31.2 45.7 3.9 71 80 A H B > -G 74 0D 15 3,-0.5 3,-1.9 -2,-0.2 57,-0.0 -0.996 66.3-124.9-147.1 140.7 28.1 47.0 5.7 72 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.833 112.8 44.8 -53.2 -37.0 27.6 49.6 8.5 73 82 A N T 3 S+ 0 0 9 83,-0.1 84,-1.5 2,-0.1 2,-0.4 0.049 105.4 71.4-100.1 26.2 25.7 47.0 10.6 74 83 A V B < S-Gh 71 157D 7 -3,-1.9 -3,-0.5 82,-0.3 84,-0.2 -0.997 92.1 -98.9-141.9 134.3 28.0 44.0 10.1 75 84 A I - 0 0 32 82,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.236 45.8-161.8 -51.9 134.2 31.5 43.4 11.5 76 85 A G - 0 0 20 -4,-0.1 2,-0.7 -6,-0.1 22,-0.3 -0.850 21.6-105.9-121.0 158.2 34.0 44.3 8.8 77 86 A L + 0 0 12 -11,-0.8 20,-0.2 -8,-0.5 3,-0.1 -0.741 32.4 172.9 -90.5 115.3 37.7 43.4 8.4 78 87 A L S S- 0 0 34 18,-3.5 2,-0.3 -2,-0.7 19,-0.2 0.833 70.5 -14.1 -85.0 -36.8 40.1 46.3 9.2 79 88 A D E -F 96 0C 27 17,-1.3 17,-3.0 251,-0.1 -1,-0.3 -0.985 52.2-163.2-163.2 156.9 43.2 44.2 8.9 80 89 A V E +F 95 0C 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.955 24.7 155.6-148.9 127.9 44.5 40.7 8.7 81 90 A F E -F 94 0C 15 13,-2.1 13,-2.4 -2,-0.3 245,-0.0 -0.924 25.8-157.7-149.3 171.5 48.1 39.5 9.3 82 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 -66,-0.1 -0.979 25.2-133.5-152.1 140.7 50.5 36.8 10.3 83 92 A P S S+ 0 0 20 0, 0.0 -79,-0.1 0, 0.0 7,-0.1 0.761 75.8 109.8 -67.2 -23.2 54.0 36.9 11.7 84 93 A A - 0 0 14 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.298 57.6-157.5 -59.2 129.8 55.0 34.2 9.2 85 94 A R S S+ 0 0 176 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.489 74.7 15.9 -86.7 -4.4 57.3 35.5 6.4 86 95 A S S > S- 0 0 26 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.975 81.5-101.0-159.2 168.7 56.3 32.6 4.1 87 96 A L T 4 S+ 0 0 67 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.815 115.6 66.1 -64.4 -30.6 53.8 29.8 3.5 88 97 A E T 4 S+ 0 0 175 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.929 114.2 27.1 -56.4 -50.0 56.3 27.3 4.9 89 98 A E T 4 S+ 0 0 105 -3,-0.3 2,-0.4 -6,-0.0 -1,-0.2 0.379 88.6 128.7 -96.7 2.9 56.1 28.9 8.4 90 99 A F < + 0 0 0 -4,-0.8 3,-0.1 -3,-0.2 232,-0.1 -0.450 18.3 131.6 -62.0 114.7 52.5 30.2 8.0 91 100 A N + 0 0 88 -2,-0.4 2,-0.4 1,-0.2 -41,-0.3 0.425 51.6 60.4-144.6 -6.9 50.7 28.9 11.1 92 101 A D - 0 0 49 -3,-0.1 2,-0.4 -44,-0.1 -8,-0.2 -0.981 53.2-162.0-134.0 145.3 48.8 31.8 12.7 93 102 A V - 0 0 0 -2,-0.4 -47,-2.2 -47,-0.3 2,-0.4 -0.988 3.9-169.9-128.0 128.8 46.0 34.2 11.6 94 103 A Y E -EF 45 81C 2 -13,-2.4 -13,-2.1 -2,-0.4 2,-0.4 -0.976 5.0-166.9-120.3 130.3 45.1 37.5 13.2 95 104 A L E -EF 44 80C 6 -51,-2.6 -51,-2.8 -2,-0.4 2,-0.4 -0.901 5.1-157.0-115.8 142.8 42.0 39.4 12.2 96 105 A V E +EF 43 79C 0 -17,-3.0 -18,-3.5 -2,-0.4 -17,-1.3 -0.969 17.7 159.6-127.9 138.4 41.2 43.1 13.2 97 106 A T E -E 42 0C 20 -55,-2.1 -55,-3.4 -2,-0.4 -20,-0.1 -0.903 50.1 -73.6-141.6 167.6 38.0 45.1 13.5 98 107 A H E -E 41 0C 90 -2,-0.3 2,-0.4 -22,-0.3 -57,-0.3 -0.364 52.5-113.8 -64.0 143.7 36.8 48.3 15.2 99 108 A L - 0 0 53 -59,-2.4 2,-0.3 -67,-0.1 -59,-0.1 -0.673 33.3-149.1 -81.2 132.2 36.5 47.9 19.0 100 109 A M - 0 0 44 -2,-0.4 50,-0.1 1,-0.1 3,-0.1 -0.780 16.4-123.0-106.0 150.2 32.9 48.3 20.1 101 110 A G S S- 0 0 66 -2,-0.3 2,-0.3 1,-0.2 49,-0.2 0.903 74.0 -42.6 -52.8 -54.1 31.5 49.6 23.4 102 111 A A E -I 149 0D 37 47,-1.4 47,-2.8 5,-0.0 -1,-0.2 -0.988 57.9 -83.8-170.1 171.9 29.5 46.6 24.5 103 112 A D E -I 148 0D 43 -2,-0.3 45,-0.2 45,-0.2 42,-0.2 -0.167 42.3-109.7 -77.9 176.1 27.0 43.8 23.7 104 113 A L S S+ 0 0 1 40,-1.8 3,-0.2 43,-0.7 41,-0.2 0.500 120.6 62.1 -84.0 -3.8 23.3 44.2 23.6 105 114 A N S >> S+ 0 0 30 39,-0.5 3,-1.0 42,-0.3 4,-0.7 0.872 99.4 49.0 -85.2 -44.0 23.5 42.1 26.8 106 115 A N T 34 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.184 111.0 55.3 -81.8 17.6 25.4 44.7 28.8 107 116 A I T 34 S+ 0 0 66 -3,-0.2 4,-0.3 -5,-0.0 -1,-0.2 0.421 103.3 49.0-126.2 -7.5 22.9 47.3 27.7 108 117 A V T <4 S+ 0 0 28 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.507 90.6 79.7-108.0 -11.6 19.6 45.8 28.8 109 118 A K S < S+ 0 0 153 -4,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.117 92.7 54.8 -82.2 22.1 20.9 45.0 32.3 110 119 A C S S- 0 0 93 1,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.690 118.5 -36.8-120.1 -45.4 20.3 48.6 33.2 111 120 A Q - 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0 0 3 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 0.211 35.9 -44.5 82.9 159.0 0.6 27.2 18.7 221 241 A T S S- 0 0 80 1,-0.1 19,-0.1 22,-0.1 50,-0.1 -0.271 76.9 -86.7 -58.7 141.8 0.5 23.6 17.6 222 242 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.286 51.2-130.4 -55.2 131.5 1.8 23.0 14.1 223 243 A G > - 0 0 41 -3,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.224 21.2-100.8 -80.7 173.1 -1.0 23.6 11.6 224 244 A A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.927 120.7 55.5 -57.2 -48.0 -2.2 21.4 8.7 225 245 A E H 4 S+ 0 0 111 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.866 114.7 38.1 -54.6 -41.9 -0.3 23.6 6.2 226 246 A L H >4 S+ 0 0 13 1,-0.2 3,-1.8 -3,-0.2 4,-0.2 0.881 108.7 63.3 -77.6 -40.5 3.0 23.2 8.0 227 247 A L H >< S+ 0 0 14 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.751 95.3 61.3 -56.4 -25.9 2.4 19.5 8.9 228 248 A K T 3< S+ 0 0 165 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.685 96.3 59.3 -78.1 -15.8 2.3 18.6 5.2 229 249 A K T < S+ 0 0 93 -3,-1.8 2,-0.8 -4,-0.2 -1,-0.2 0.400 82.6 95.6 -92.6 3.5 5.9 19.7 4.6 230 250 A I < - 0 0 18 -3,-0.9 6,-0.1 -4,-0.2 -1,-0.1 -0.834 51.2-174.8 -99.1 106.6 7.3 17.3 7.2 231 251 A S + 0 0 123 -2,-0.8 -1,-0.2 4,-0.0 2,-0.1 0.962 62.7 78.5 -61.3 -57.0 8.5 14.1 5.5 232 252 A S > - 0 0 53 1,-0.1 4,-1.7 2,-0.1 5,-0.0 -0.320 64.2-157.9 -59.4 132.4 9.5 12.2 8.7 233 253 A E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.845 94.4 52.5 -80.5 -36.4 6.5 10.7 10.5 234 254 A S H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.831 112.4 47.1 -68.7 -30.0 8.3 10.4 13.8 235 255 A A H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.911 109.5 53.2 -75.3 -41.9 9.2 14.1 13.4 236 256 A R H X S+ 0 0 73 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.940 115.0 41.2 -56.7 -47.1 5.6 14.9 12.5 237 257 A N H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 109.8 59.2 -68.6 -39.4 4.4 13.2 15.7 238 258 A Y H X S+ 0 0 98 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.909 102.6 50.3 -58.8 -46.1 7.1 14.6 17.8 239 259 A I H < S+ 0 0 1 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.814 111.5 50.9 -63.4 -30.7 6.2 18.3 17.2 240 260 A Q H >< S+ 0 0 66 -4,-0.9 3,-1.3 -5,-0.2 -1,-0.2 0.914 106.7 52.5 -72.5 -42.1 2.6 17.4 18.1 241 261 A S H >< S+ 0 0 75 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.861 107.3 54.2 -59.9 -35.5 3.6 15.7 21.4 242 262 A L T 3< S+ 0 0 7 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.603 97.5 66.2 -75.1 -12.6 5.6 18.9 22.3 243 263 A T T < + 0 0 9 -3,-1.3 -1,-0.2 -4,-0.4 -22,-0.1 -0.271 67.5 106.1-104.1 46.6 2.5 21.1 21.8 244 264 A Q < + 0 0 142 -3,-0.5 -1,-0.2 -2,-0.1 -2,-0.1 0.184 50.4 105.2-109.5 16.1 0.5 19.6 24.7 245 265 A M S S- 0 0 71 -3,-0.3 2,-0.4 -32,-0.2 -3,-0.0 -0.659 89.1 -82.7 -96.1 154.3 0.8 22.5 27.1 246 266 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.376 59.4-119.0 -55.7 108.6 -2.0 25.1 27.9 247 267 A K - 0 0 153 -2,-0.4 2,-0.3 -4,-0.1 -29,-0.2 0.136 27.7-157.7 -48.7 164.1 -1.7 27.5 25.0 248 268 A M - 0 0 53 -31,-2.1 2,-0.3 -30,-0.0 -28,-0.1 -0.929 9.6-127.5-139.9 161.4 -0.9 31.2 25.5 249 269 A N > - 0 0 88 -2,-0.3 4,-1.4 1,-0.1 -30,-0.1 -0.787 11.2-129.0-116.4 160.7 -1.5 34.3 23.3 250 270 A F H >> S+ 0 0 22 -2,-0.3 4,-1.8 2,-0.2 3,-0.7 0.995 102.4 58.4 -65.0 -68.7 0.6 37.2 22.0 251 271 A A H 34 S+ 0 0 58 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.818 108.7 51.2 -27.6 -54.3 -1.3 40.2 23.0 252 272 A N H >4 S+ 0 0 86 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.927 108.0 48.4 -53.2 -56.3 -1.0 39.0 26.6 253 273 A V H << S+ 0 0 41 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.763 121.9 35.6 -61.2 -26.4 2.7 38.4 26.6 254 274 A F T >< S+ 0 0 5 -4,-1.8 3,-1.2 -3,-0.4 -1,-0.3 -0.009 79.8 155.8-119.3 31.4 3.4 41.9 25.1 255 275 A I T < + 0 0 132 -3,-1.4 3,-0.1 1,-0.2 2,-0.1 -0.304 67.7 24.9 -58.9 137.8 0.7 44.0 26.7 256 276 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.2 -5,-0.0 -2,-0.0 -0.252 94.2 118.5 101.9 -43.8 1.6 47.6 26.9 257 277 A A S < S- 0 0 31 -3,-1.2 -1,-0.4 1,-0.2 -3,-0.1 -0.007 82.1 -77.2 -54.8 159.6 3.9 47.6 23.9 258 278 A N > - 0 0 47 1,-0.2 4,-2.0 -3,-0.1 3,-0.4 -0.356 39.3-132.0 -57.0 130.6 3.4 49.6 20.8 259 279 A P H > S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.823 109.4 55.8 -59.3 -28.8 0.7 47.8 18.7 260 280 A L H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 27,-0.2 0.885 106.2 52.5 -67.5 -37.5 2.9 48.1 15.7 261 281 A A H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.928 109.5 45.8 -64.8 -46.4 5.6 46.4 17.6 262 282 A V H X S+ 0 0 27 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.798 110.0 56.5 -69.1 -25.9 3.5 43.4 18.6 263 283 A D H X S+ 0 0 54 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.923 108.2 46.3 -69.5 -42.7 2.2 43.2 15.0 264 284 A L H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.6 0.865 110.2 54.1 -65.8 -37.6 5.8 42.8 13.8 265 285 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.841 104.0 54.9 -64.9 -35.1 6.6 40.2 16.4 266 286 A E H 3< S+ 0 0 85 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.707 109.5 49.5 -72.1 -16.0 3.6 38.2 15.3 267 287 A K H << S+ 0 0 83 -3,-0.6 10,-2.0 -4,-0.6 -2,-0.2 0.669 116.7 38.7 -93.3 -21.4 5.2 38.3 11.9 268 288 A M H < S+ 0 0 1 -4,-1.2 2,-1.9 8,-0.2 -2,-0.2 0.865 108.4 61.9 -92.3 -44.8 8.7 37.2 13.0 269 289 A L S < S+ 0 0 3 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.445 72.1 137.0 -84.3 66.1 7.6 34.6 15.6 270 290 A V - 0 0 37 -2,-1.9 6,-0.1 -3,-0.2 5,-0.1 -0.950 52.8-141.7-114.4 130.0 5.8 32.3 13.2 271 291 A L S S+ 0 0 14 -2,-0.5 2,-0.8 -52,-0.3 -99,-0.2 0.925 89.2 69.9 -55.5 -50.0 6.3 28.6 13.6 272 292 A D S > S- 0 0 15 1,-0.2 3,-2.1 -3,-0.1 4,-0.4 -0.618 71.9-157.8 -74.7 108.5 6.3 27.9 9.8 273 293 A S G > S+ 0 0 22 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.764 89.7 65.3 -58.8 -26.8 9.6 29.4 8.5 274 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.697 104.8 46.6 -69.8 -16.1 8.1 29.7 5.0 275 295 A K G < S+ 0 0 124 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.430 85.4 112.1-104.9 -1.5 5.7 32.2 6.4 276 296 A R S < S- 0 0 8 -3,-0.9 -8,-0.2 -4,-0.4 -93,-0.1 -0.458 74.8-108.3 -72.6 145.8 8.0 34.4 8.5 277 297 A I - 0 0 18 -10,-2.0 2,-0.1 -13,-0.2 -1,-0.1 -0.413 36.4-125.9 -70.1 149.1 8.6 38.0 7.3 278 298 A T > - 0 0 52 1,-0.1 4,-3.4 -2,-0.1 5,-0.2 -0.472 21.9-105.0 -93.1 168.6 12.1 38.6 5.7 279 299 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.949 122.2 49.6 -56.7 -49.9 14.6 41.2 6.7 280 300 A A H > S+ 0 0 46 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.931 114.8 42.3 -56.6 -50.0 13.7 43.2 3.6 281 301 A Q H >4 S+ 0 0 116 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.953 113.2 54.0 -63.6 -46.1 10.0 43.1 4.2 282 302 A A H >< S+ 0 0 1 -4,-3.4 3,-2.4 1,-0.3 6,-0.2 0.887 100.2 59.6 -54.4 -44.5 10.4 43.8 7.9 283 303 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.814 104.5 52.5 -55.9 -28.7 12.5 46.9 7.2 284 304 A A T << S+ 0 0 61 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.432 83.1 119.7 -87.9 -0.0 9.4 48.2 5.3 285 305 A H S X S- 0 0 22 -3,-2.4 3,-2.5 -4,-0.3 7,-0.2 -0.387 76.3-119.5 -66.0 143.7 7.1 47.5 8.3 286 306 A A G > S+ 0 0 58 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.731 109.0 75.7 -56.8 -23.3 5.3 50.7 9.6 287 307 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -27,-0.2 3,-0.2 0.767 103.1 40.1 -60.7 -22.2 7.0 50.0 13.0 288 308 A F G X> S+ 0 0 0 -3,-2.5 4,-3.0 -6,-0.2 3,-2.3 0.168 74.7 121.2-111.6 16.5 10.1 51.4 11.3 289 309 A A T <4 S+ 0 0 78 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.863 73.3 60.3 -45.9 -40.0 8.5 54.2 9.3 290 310 A Q T 34 S+ 0 0 125 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.679 120.1 20.3 -65.0 -22.7 10.9 56.6 11.2 291 311 A Y T <4 S+ 0 0 57 -3,-2.3 -2,-0.2 -8,-0.1 -1,-0.2 0.640 90.0 117.1-120.7 -22.9 14.1 55.0 10.0 292 312 A H < + 0 0 61 -4,-3.0 -8,-0.1 -7,-0.2 5,-0.1 -0.195 30.6 168.9 -52.7 132.4 13.2 53.1 6.8 293 313 A D > - 0 0 71 3,-0.1 3,-1.9 1,-0.0 -1,-0.0 -0.850 25.0-157.7-148.7 105.9 15.0 54.4 3.7 294 314 A P T 3 S+ 0 0 89 0, 0.0 3,-0.4 0, 0.0 -2,-0.0 0.674 94.7 54.0 -58.7 -17.8 14.7 52.2 0.5 295 315 A D T 3 S+ 0 0 155 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.380 108.2 46.1-100.8 3.2 17.9 53.9 -0.8 296 316 A D S < S+ 0 0 77 -3,-1.9 -1,-0.2 1,-0.1 -3,-0.1 -0.257 85.0 90.2-137.8 47.2 20.1 53.3 2.1 297 317 A E - 0 0 10 -3,-0.4 -1,-0.1 -5,-0.1 -14,-0.0 -0.481 68.3-166.3-140.2 61.0 19.5 49.6 2.9 298 318 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.076 13.8-146.1 -53.8 154.1 22.2 48.0 0.6 299 319 A V - 0 0 89 -165,-0.1 2,-0.2 -166,-0.1 -168,-0.1 -0.596 29.8 -97.6-111.2 175.4 22.6 44.4 -0.5 300 320 A A - 0 0 15 -169,-0.5 3,-0.1 -2,-0.2 -231,-0.1 -0.654 30.6-101.3-103.9 157.8 26.0 42.7 -1.0 301 321 A D - 0 0 120 -2,-0.2 -1,-0.1 -233,-0.2 -233,-0.0 -0.356 65.0 -73.2 -65.9 149.1 28.1 42.0 -4.1 302 322 A P - 0 0 127 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.199 55.2-141.4 -47.4 129.9 27.7 38.4 -5.3 303 323 A Y - 0 0 33 -169,-0.2 2,-0.9 -3,-0.1 -238,-0.0 -0.871 2.1-143.6-103.5 123.9 29.6 36.2 -2.9 304 324 A D + 0 0 91 -2,-0.5 3,-0.1 1,-0.1 -169,-0.0 -0.750 37.0 150.9 -88.7 105.4 31.7 33.3 -4.2 305 325 A Q > + 0 0 51 -2,-0.9 3,-1.6 1,-0.1 4,-0.3 -0.174 24.2 128.0-124.6 37.6 31.4 30.4 -1.7 306 326 A S G > + 0 0 58 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.679 63.6 75.8 -65.4 -15.9 31.8 27.6 -4.2 307 327 A F G > S+ 0 0 13 1,-0.2 3,-1.2 -3,-0.1 -1,-0.3 0.779 77.6 73.5 -66.2 -27.8 34.6 26.4 -1.8 308 328 A E G < S+ 0 0 68 -3,-1.6 2,-0.5 1,-0.3 -1,-0.2 0.863 92.9 53.1 -53.6 -41.1 31.9 25.2 0.6 309 329 A S G < S+ 0 0 92 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.3 -0.214 94.8 104.6 -90.1 42.3 31.1 22.2 -1.6 310 330 A R < - 0 0 116 -3,-1.2 2,-0.6 -2,-0.5 -3,-0.0 -0.975 53.7-161.2-128.6 140.9 34.8 21.3 -1.6 311 331 A D + 0 0 154 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.972 32.6 159.2-118.8 108.8 36.7 18.5 0.1 312 332 A L - 0 0 40 -2,-0.6 2,-0.1 -259,-0.1 -255,-0.1 -0.849 42.3 -94.9-130.2 165.9 40.4 19.4 0.2 313 333 A L >> - 0 0 110 -2,-0.3 4,-1.9 1,-0.1 3,-1.3 -0.446 40.5-108.8 -77.7 155.6 43.5 18.5 2.1 314 334 A I H 3> S+ 0 0 47 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.913 119.5 54.4 -47.9 -51.7 44.6 20.7 5.1 315 335 A D H 3> S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.752 106.5 52.3 -57.7 -26.4 47.5 22.0 3.1 316 336 A E H <> S+ 0 0 92 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.915 111.3 45.3 -76.0 -43.0 45.2 23.1 0.3 317 337 A W H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.888 113.0 53.1 -64.3 -38.5 43.0 25.0 2.7 318 338 A K H X S+ 0 0 30 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.881 109.6 46.6 -65.0 -41.3 46.1 26.4 4.3 319 339 A S H X S+ 0 0 40 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.913 112.2 50.1 -69.9 -40.9 47.5 27.7 1.0 320 340 A L H X S+ 0 0 54 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.901 112.7 48.0 -62.6 -40.0 44.1 29.2 -0.0 321 341 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.4 52.4 -66.4 -43.1 43.9 30.9 3.3 322 342 A Y H X S+ 0 0 35 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.923 106.0 54.9 -58.3 -45.3 47.5 32.2 3.0 323 343 A D H X S+ 0 0 76 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.900 107.2 50.8 -53.4 -43.9 46.6 33.6 -0.4 324 344 A E H < S+ 0 0 38 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.810 107.4 53.7 -65.5 -32.5 43.7 35.6 1.2 325 345 A V H >< S+ 0 0 12 -4,-1.6 3,-1.1 -3,-0.4 -2,-0.2 0.954 113.9 39.3 -67.9 -50.8 46.0 37.0 3.9 326 346 A I H 3< S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.762 111.8 58.7 -72.0 -24.5 48.6 38.4 1.5 327 347 A S T 3< S+ 0 0 66 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.2 0.366 79.9 121.6 -86.2 6.0 45.9 39.6 -1.0 328 348 A F < - 0 0 36 -3,-1.1 -248,-0.1 -248,-0.1 -3,-0.0 -0.548 39.2-175.0 -77.0 132.0 44.2 41.7 1.7 329 349 A V - 0 0 115 -2,-0.3 -2,-0.0 -250,-0.0 -250,-0.0 -0.980 24.2-127.2-126.5 115.3 43.9 45.4 0.9 330 350 A P - 0 0 79 0, 0.0 -252,-0.1 0, 0.0 -251,-0.1 -0.228 26.5-111.9 -60.8 148.9 42.5 47.6 3.7 331 351 A P 0 0 75 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.259 360.0 360.0 -75.7 168.9 39.6 49.9 2.9 332 352 A P 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.206 360.0 360.0 -63.8 360.0 39.9 53.8 2.8