==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-12 4EH4 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.OVER,C.GRUETTER,H.WALDMANN,D.RAUH . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 62.9 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 . 41 12.2 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.2 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 4 1 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 . 1 1 2 0 3 0 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 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 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.5 24.9 5.4 4.8 2 5 A R - 0 0 91 1,-0.1 2,-0.2 88,-0.0 88,-0.0 -0.305 360.0-124.3 -69.4 154.9 24.0 3.2 7.8 3 6 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.492 33.5 -79.1 -94.7 175.3 24.1 4.7 11.4 4 7 A T - 0 0 80 -2,-0.2 15,-2.3 14,-0.0 2,-0.2 -0.588 44.7-157.4 -70.1 117.0 26.0 3.6 14.6 5 8 A F E -A 18 0A 27 -2,-0.5 2,-0.3 13,-0.3 11,-0.1 -0.591 6.1-161.8 -87.0 160.3 24.2 0.7 16.3 6 9 A Y E -A 17 0A 55 11,-2.9 11,-1.4 -2,-0.2 2,-0.3 -0.993 8.5-133.4-145.7 150.2 24.7 -0.0 20.0 7 10 A R E +A 16 0A 153 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.738 27.7 152.8-109.9 141.7 24.1 -3.1 22.1 8 11 A Q E -A 15 0A 62 7,-1.5 7,-2.5 -2,-0.3 2,-0.4 -0.977 34.6-122.4-153.4 168.0 22.4 -3.8 25.5 9 12 A E E +A 14 0A 148 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.897 37.4 156.3-111.4 148.0 20.6 -6.5 27.4 10 13 A L + 0 0 45 3,-3.2 4,-0.1 -2,-0.4 -1,-0.1 0.532 60.9 13.1-132.7 -91.8 17.1 -5.9 28.8 11 14 A N S S- 0 0 66 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.059 123.0 -70.5 -93.1 33.4 14.2 -8.2 29.7 12 15 A K S S+ 0 0 82 1,-0.5 -1,-0.1 0, 0.0 2,-0.0 -0.407 124.1 95.6 93.5 -43.7 16.5 -11.2 29.6 13 16 A T S S- 0 0 52 -4,-0.1 -3,-3.2 1,-0.1 -1,-0.5 -0.270 76.6-118.8 -74.2 163.4 16.4 -10.5 25.8 14 17 A I E -A 9 0A 73 -5,-0.2 2,-0.3 -4,-0.1 -5,-0.2 -0.643 19.2-159.6-103.8 156.0 19.0 -8.5 23.8 15 18 A W E -A 8 0A 4 -7,-2.5 -7,-1.5 -2,-0.2 2,-0.7 -0.932 11.8-175.3-143.1 116.1 18.6 -5.2 21.8 16 19 A E E +A 7 0A 44 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.824 29.4 158.4-111.4 92.7 20.9 -3.8 19.0 17 20 A V E -A 6 0A 2 -11,-1.4 -11,-2.9 -2,-0.7 -2,-0.1 -0.664 41.7 -89.2-109.4 162.4 19.4 -0.4 18.2 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.1 0, 0.0 -13,-0.3 -0.227 35.6-108.6 -68.4 162.5 20.8 2.8 16.6 19 22 A E T 3 S+ 0 0 111 -15,-2.3 21,-0.1 1,-0.2 -14,-0.1 0.934 113.0 69.0 -50.0 -58.4 22.5 5.7 18.4 20 23 A R T 3 S+ 0 0 48 -16,-0.2 20,-2.5 19,-0.1 2,-0.6 0.658 88.3 70.1 -34.6 -35.0 19.5 7.9 17.7 21 24 A Y E < S+B 39 0B 0 -3,-1.1 2,-0.3 18,-0.2 18,-0.2 -0.859 71.4 178.1 -98.1 123.9 17.2 5.9 20.1 22 25 A Q E +B 38 0B 74 16,-2.5 16,-3.5 -2,-0.6 -2,-0.0 -0.853 45.8 25.7-126.0 157.8 18.2 6.4 23.7 23 26 A N E - 0 0 112 -2,-0.3 -1,-0.2 14,-0.2 13,-0.1 0.842 70.0-160.6 63.3 41.4 17.1 5.4 27.2 24 27 A L E + 0 0 16 -3,-0.2 13,-0.2 13,-0.1 -1,-0.1 -0.160 14.5 176.0 -53.4 149.8 15.4 2.1 26.3 25 28 A S E -B 36 0B 58 11,-0.8 11,-2.3 0, 0.0 -15,-0.0 -0.755 28.0-121.4-170.4 101.6 13.1 1.0 29.0 26 29 A P E -B 35 0B 68 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.167 22.7-177.8 -61.6 141.1 10.8 -2.1 28.6 27 30 A V E - 0 0 73 7,-3.0 8,-0.1 1,-0.2 2,-0.1 0.369 53.6 -89.2-115.9 3.0 7.0 -1.8 28.9 28 31 A G E B 34 0B 34 6,-0.6 6,-0.7 138,-0.1 -1,-0.2 -0.049 360.0 360.0 109.9 152.0 6.1 -5.5 28.4 29 32 A S 0 0 86 4,-0.2 138,-1.8 137,-0.1 4,-0.1 0.694 360.0 360.0 -96.6 360.0 5.3 -8.2 25.9 30 ! 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 31 35 A Y 0 0 77 0, 0.0 21,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -31.8 4.9 -11.7 19.0 32 36 A G E - C 0 51B 16 19,-0.3 2,-0.3 2,-0.0 19,-0.2 -0.795 360.0 -97.1 153.6 169.8 7.4 -9.3 20.6 33 37 A S E - C 0 50B 18 17,-1.5 17,-2.8 -2,-0.2 2,-0.4 -0.862 30.1-139.7-117.2 153.1 8.4 -6.9 23.3 34 38 A V E -BC 28 49B 37 -6,-0.7 -7,-3.0 -2,-0.3 -6,-0.6 -0.916 7.1-159.4-121.9 134.6 8.4 -3.1 23.4 35 39 A C E -BC 26 48B 0 13,-3.7 13,-3.5 -2,-0.4 2,-0.5 -0.929 14.4-142.4-107.4 131.1 10.7 -0.4 24.7 36 40 A A E +BC 25 47B 8 -11,-2.3 -11,-0.8 -2,-0.5 2,-0.3 -0.768 41.4 161.7 -71.2 129.9 9.7 3.1 25.5 37 41 A A E - C 0 46B 0 9,-3.1 9,-3.2 -2,-0.5 2,-0.5 -0.948 40.6-103.2-147.6 171.9 12.7 5.2 24.3 38 42 A F E -BC 22 45B 77 -16,-3.5 -16,-2.5 -2,-0.3 2,-1.0 -0.851 22.7-146.4-102.5 128.4 13.8 8.8 23.4 39 43 A D E >> -B 21 0B 0 5,-2.6 4,-3.4 -2,-0.5 3,-1.1 -0.762 10.2-170.5 -97.3 97.4 14.3 9.7 19.8 40 44 A T T 34 S+ 0 0 81 -20,-2.5 -1,-0.2 -2,-1.0 -19,-0.1 0.742 83.4 59.9 -61.5 -25.5 17.1 12.2 19.6 41 45 A K T 34 S+ 0 0 137 -21,-0.3 -1,-0.3 1,-0.1 -20,-0.1 0.848 123.4 17.1 -70.3 -34.8 16.4 13.0 16.0 42 46 A T T <4 S- 0 0 47 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.633 95.6-125.0-113.8 -21.2 12.8 14.2 16.6 43 47 A G < + 0 0 37 -4,-3.4 2,-0.2 1,-0.3 -3,-0.1 0.285 69.9 118.9 93.6 -5.7 12.7 14.9 20.4 44 48 A L - 0 0 95 -5,-0.4 -5,-2.6 -6,-0.1 -1,-0.3 -0.522 69.1-111.3 -98.1 155.3 9.7 12.7 21.0 45 49 A R E -C 38 0B 115 -7,-0.2 59,-1.8 -2,-0.2 2,-0.3 -0.657 44.3-176.0 -77.8 142.4 9.3 9.6 23.1 46 50 A V E -CD 37 103B 1 -9,-3.2 -9,-3.1 -2,-0.3 2,-0.5 -0.868 26.4-122.5-135.5 165.4 8.8 6.4 21.0 47 51 A A E -CD 36 102B 14 55,-3.6 55,-2.7 -2,-0.3 2,-0.6 -0.962 18.9-161.6-111.1 132.4 8.1 2.8 21.3 48 52 A V E -CD 35 101B 0 -13,-3.5 -13,-3.7 -2,-0.5 2,-0.5 -0.973 6.3-163.2-114.3 117.5 10.5 0.3 19.8 49 53 A K E -CD 34 100B 27 51,-3.3 51,-3.6 -2,-0.6 2,-0.6 -0.917 3.1-158.0-101.1 126.6 9.1 -3.1 19.2 50 54 A K E -CD 33 99B 20 -17,-2.8 -17,-1.5 -2,-0.5 49,-0.2 -0.943 21.7-127.3-104.2 123.3 11.5 -6.0 18.7 51 55 A L E -C 32 0B 7 47,-2.4 2,-0.7 -2,-0.6 47,-0.3 -0.461 17.2-128.5 -70.3 133.5 10.0 -8.9 16.9 52 56 A S S S- 0 0 59 -21,-1.1 4,-0.2 1,-0.3 -1,-0.1 -0.777 81.7 -22.5 -81.9 120.4 10.4 -12.2 18.6 53 57 A R S > S- 0 0 153 -2,-0.7 3,-1.0 1,-0.1 -1,-0.3 0.938 74.2-172.9 51.2 66.1 11.7 -14.8 16.2 54 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.879 79.8 30.7 -65.6 -32.1 10.5 -13.0 13.1 55 59 A F T 3 S+ 0 0 16 41,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.265 76.8 124.6-119.6 48.5 11.5 -15.8 10.7 56 60 A Q S < S- 0 0 115 -3,-1.0 2,-0.2 -4,-0.2 -1,-0.1 0.732 83.7 -4.8 -79.8 -25.7 11.1 -19.0 12.9 57 61 A S S > S- 0 0 43 -3,-0.2 4,-1.7 -4,-0.2 5,-0.1 -0.825 84.7 -89.3-148.6 179.3 8.6 -20.8 10.5 58 62 A I H > S+ 0 0 84 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.848 127.9 51.3 -64.7 -33.8 6.8 -20.0 7.2 59 63 A I H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 110.8 46.8 -74.5 -37.1 3.9 -18.6 9.3 60 64 A H H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 111.6 52.4 -66.1 -40.8 6.2 -16.4 11.4 61 65 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.870 112.7 43.7 -67.2 -38.7 7.9 -15.2 8.2 62 66 A K H X S+ 0 0 36 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.928 113.4 51.2 -68.1 -48.3 4.5 -14.3 6.6 63 67 A R H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.880 109.4 51.0 -54.9 -45.2 3.3 -12.6 9.8 64 68 A T H X S+ 0 0 9 -4,-2.6 4,-1.5 -10,-0.4 -1,-0.2 0.873 114.0 44.0 -61.4 -38.2 6.5 -10.6 10.0 65 69 A Y H X S+ 0 0 12 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.867 112.4 52.0 -73.6 -41.2 6.0 -9.5 6.4 66 70 A R H X S+ 0 0 71 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.932 109.0 50.6 -59.3 -50.5 2.3 -8.7 6.8 67 71 A E H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.890 111.1 48.1 -58.5 -41.9 3.0 -6.6 9.8 68 72 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.955 113.5 46.9 -66.1 -48.1 5.6 -4.6 8.0 69 73 A R H X S+ 0 0 35 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.916 114.0 47.8 -56.1 -46.0 3.4 -4.0 4.9 70 74 A L H X S+ 0 0 44 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.904 115.6 43.9 -64.4 -44.8 0.4 -3.0 7.1 71 75 A L H < S+ 0 0 10 -4,-2.2 11,-1.0 -5,-0.2 -1,-0.2 0.854 111.6 52.9 -70.8 -33.5 2.4 -0.6 9.2 72 76 A K H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.9 49.3 -73.7 -27.3 4.2 0.9 6.2 73 77 A H H < S+ 0 0 34 -4,-1.6 2,-0.6 -5,-0.2 234,-0.2 0.827 86.3 97.1 -77.6 -34.1 0.9 1.5 4.6 74 78 A M < + 0 0 15 -4,-1.5 8,-0.4 6,-0.2 2,-0.3 -0.424 36.9 156.9 -70.6 110.0 -0.8 3.2 7.6 75 79 A K + 0 0 155 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.755 34.4 104.8-130.4 83.0 -0.6 7.0 7.3 76 80 A H B > S-F 79 0C 17 3,-0.6 3,-2.0 -2,-0.3 56,-0.0 -0.942 72.0-117.3-168.9 139.4 -3.5 8.4 9.3 77 81 A E T 3 S+ 0 0 98 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.706 112.5 42.8 -54.4 -34.8 -3.9 10.2 12.7 78 82 A N T 3 S+ 0 0 9 82,-0.1 83,-2.5 53,-0.1 2,-0.4 0.135 107.2 69.5-102.6 17.6 -6.1 7.5 14.4 79 83 A V B < S-Fg 76 161C 4 -3,-2.0 -3,-0.6 81,-0.3 83,-0.1 -1.000 91.6-103.7-137.9 135.0 -4.1 4.6 13.1 80 84 A I - 0 0 18 81,-2.1 2,-0.3 -2,-0.4 -6,-0.2 -0.346 40.7-165.1 -63.3 125.8 -0.6 3.6 14.3 81 85 A G - 0 0 16 -2,-0.1 2,-0.7 -4,-0.1 22,-0.4 -0.753 24.1-105.2-110.6 158.3 2.1 4.5 11.7 82 86 A L + 0 0 12 -11,-1.0 20,-0.2 -8,-0.4 3,-0.1 -0.759 27.9 178.2 -81.4 113.8 5.8 3.5 11.3 83 87 A L S S- 0 0 26 18,-2.4 2,-0.3 -2,-0.7 19,-0.2 0.847 74.6 -10.2 -69.3 -41.2 8.3 6.2 12.4 84 88 A D E -E 101 0B 21 17,-1.3 17,-2.5 252,-0.1 2,-0.4 -0.979 51.7-164.2-160.9 142.2 11.2 3.8 11.6 85 89 A V E +E 100 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.995 28.1 156.7-129.0 138.3 12.0 0.2 10.7 86 90 A F E -E 99 0B 14 13,-1.4 13,-2.2 -2,-0.4 -2,-0.0 -0.970 24.2-156.0-155.3 161.3 15.6 -1.0 11.1 87 91 A T - 0 0 12 -2,-0.3 11,-0.1 2,-0.2 -70,-0.1 -0.989 27.1-129.8-142.5 148.1 17.8 -4.1 11.5 88 92 A P S S+ 0 0 18 0, 0.0 -83,-0.1 0, 0.0 10,-0.1 0.729 79.7 106.6 -60.5 -26.2 21.3 -4.7 12.9 89 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.253 51.0-168.3 -66.6 145.0 22.0 -6.7 9.6 90 94 A R S S+ 0 0 170 1,-0.1 2,-0.3 -88,-0.0 -1,-0.1 0.573 74.3 28.2-108.2 -18.7 24.2 -5.3 6.9 91 95 A S S > S- 0 0 35 1,-0.1 4,-0.9 0, 0.0 3,-0.4 -0.928 80.2-113.2-138.4 161.0 23.4 -7.9 4.3 92 96 A L T >4 S+ 0 0 71 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.902 113.8 63.9 -56.5 -40.5 20.4 -10.2 3.4 93 97 A E T 34 S+ 0 0 181 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.832 112.6 30.9 -57.8 -39.5 22.6 -13.2 4.3 94 98 A E T 34 S+ 0 0 101 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.477 86.5 130.1 -98.9 -3.9 22.8 -12.2 8.0 95 99 A F << + 0 0 0 -4,-0.9 233,-0.1 -3,-0.7 3,-0.1 -0.336 18.3 133.0 -56.9 113.6 19.4 -10.5 8.2 96 100 A N + 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -41,-0.3 0.533 47.4 62.1-142.7 -16.4 17.7 -11.9 11.3 97 101 A D - 0 0 55 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.970 52.7-164.1-128.1 139.2 16.2 -9.2 13.5 98 102 A V - 0 0 2 -2,-0.4 -47,-2.4 -47,-0.3 2,-0.4 -0.987 5.2-170.1-123.5 125.9 13.4 -6.7 12.8 99 103 A Y E -DE 50 86B 2 -13,-2.2 -13,-1.4 -2,-0.4 2,-0.4 -0.941 5.6-157.6-114.0 142.6 12.7 -3.6 15.0 100 104 A L E -DE 49 85B 8 -51,-3.6 -51,-3.3 -2,-0.4 2,-0.5 -0.930 4.4-160.8-120.0 138.9 9.6 -1.4 14.7 101 105 A V E +DE 48 84B 0 -17,-2.5 -18,-2.4 -2,-0.4 -17,-1.3 -0.969 19.7 152.5-122.2 128.2 9.4 2.2 15.9 102 106 A T E -D 47 0B 22 -55,-2.7 -55,-3.6 -2,-0.5 -20,-0.1 -0.919 49.7 -72.1-143.4 173.2 6.3 4.2 16.6 103 107 A H E -D 46 0B 69 -22,-0.4 -57,-0.3 -2,-0.3 2,-0.2 -0.358 48.6-121.6 -64.0 141.0 5.1 7.2 18.7 104 108 A L + 0 0 51 -59,-1.8 -59,-0.1 -67,-0.1 3,-0.1 -0.599 31.2 177.1 -77.3 146.8 4.7 6.3 22.4 105 109 A M - 0 0 18 -2,-0.2 2,-1.5 1,-0.2 48,-0.2 0.349 26.6-142.9-131.2 -0.9 1.2 6.9 23.6 106 110 A G + 0 0 65 48,-0.1 -1,-0.2 46,-0.1 48,-0.2 -0.589 65.4 37.8 79.0 -90.2 1.4 5.8 27.2 107 111 A A E -H 153 0C 32 -2,-1.5 46,-2.5 46,-1.0 2,-0.4 -0.342 60.9-140.4-104.0 167.6 -1.9 4.1 27.9 108 112 A D E >> -H 152 0C 15 44,-0.2 3,-2.0 -2,-0.1 4,-1.3 -0.961 33.1-111.7-123.0 147.5 -4.5 1.9 26.3 109 113 A L H 3> S+ 0 0 2 42,-2.0 4,-1.5 39,-0.6 3,-0.2 0.791 113.7 66.0 -39.5 -41.2 -8.3 2.1 26.6 110 114 A N H 34 S+ 0 0 46 41,-0.3 -1,-0.3 1,-0.2 39,-0.1 0.851 112.1 31.0 -51.1 -43.2 -8.3 -1.2 28.6 111 115 A N H <4 S+ 0 0 94 -3,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.492 112.7 60.6-103.3 -7.9 -6.3 0.4 31.4 112 116 A I H < S+ 0 0 45 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.642 79.5 88.8 -88.3 -15.7 -7.6 3.9 31.2 113 117 A V < 0 0 39 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 0.667 360.0 360.0 -51.6 -18.0 -11.2 2.5 31.8 114 118 A K 0 0 120 -3,-0.4 -2,-0.1 -4,-0.0 -3,-0.0 0.624 360.0 360.0 -81.8 360.0 -10.2 3.0 35.5 115 ! 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 0.0 116 121 A K 0 0 85 0, 0.0 2,-0.2 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 112.4 -16.4 5.1 33.4 117 122 A L - 0 0 44 85,-1.1 2,-0.2 1,-0.0 -4,-0.0 -0.706 360.0 -91.9-119.3 170.2 -15.9 8.2 31.3 118 123 A T >> - 0 0 77 -2,-0.2 4,-2.4 1,-0.1 3,-1.2 -0.531 35.4-108.8 -90.6 160.8 -18.2 11.1 30.3 119 124 A D H 3> S+ 0 0 40 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.727 119.5 55.5 -61.7 -28.8 -20.4 11.2 27.3 120 125 A D H 3> S+ 0 0 98 2,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.834 111.1 46.9 -67.2 -36.0 -18.2 13.9 25.6 121 126 A H H <> S+ 0 0 80 -3,-1.2 4,-3.6 2,-0.2 3,-0.4 0.951 111.4 46.1 -75.2 -52.8 -15.2 11.6 26.1 122 127 A V H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.887 112.3 55.4 -57.0 -35.4 -16.7 8.4 24.8 123 128 A Q H X S+ 0 0 23 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.845 113.5 39.8 -59.6 -39.5 -18.1 10.5 21.9 124 129 A F H X S+ 0 0 52 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.936 117.6 48.6 -82.8 -43.4 -14.6 11.6 21.1 125 130 A L H X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.925 116.2 40.6 -59.4 -50.7 -13.0 8.3 21.8 126 131 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.857 112.2 58.7 -70.3 -30.3 -15.4 6.2 19.7 127 132 A Y H X S+ 0 0 13 -4,-1.1 4,-1.7 -5,-0.4 -1,-0.2 0.879 105.9 48.2 -64.6 -37.7 -15.4 8.9 17.0 128 133 A Q H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.880 110.2 51.2 -74.9 -34.4 -11.7 8.6 16.6 129 134 A I H X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 5,-0.2 0.949 110.6 49.3 -60.0 -49.9 -11.9 4.8 16.3 130 135 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.839 109.5 51.1 -61.8 -35.2 -14.6 5.0 13.7 131 136 A R H X S+ 0 0 10 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.3 0.889 111.6 48.6 -70.1 -39.1 -12.5 7.5 11.8 132 137 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.969 110.7 50.0 -60.3 -54.1 -9.6 5.1 12.0 133 138 A L H X S+ 0 0 0 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.774 105.4 59.1 -54.4 -29.5 -11.8 2.2 10.8 134 139 A K H X S+ 0 0 44 -4,-1.5 4,-2.4 -5,-0.2 172,-0.3 0.975 110.1 41.3 -63.5 -52.5 -12.9 4.3 7.9 135 140 A Y H X S+ 0 0 13 -4,-1.7 171,-0.7 2,-0.2 4,-0.5 0.930 119.3 44.5 -62.8 -49.7 -9.4 4.7 6.7 136 141 A I H ><>S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.2 5,-1.4 0.956 114.4 49.1 -59.5 -53.4 -8.5 1.0 7.4 137 142 A H H ><5S+ 0 0 13 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.854 102.0 62.3 -55.0 -36.8 -11.7 -0.4 5.9 138 143 A S H 3<5S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.663 98.6 58.3 -67.2 -16.0 -11.3 1.7 2.7 139 144 A A T <<5S- 0 0 3 -3,-1.6 170,-0.3 -4,-0.5 -1,-0.3 0.300 119.5-110.2 -90.9 11.0 -8.1 -0.2 2.1 140 145 A D T < 5S+ 0 0 122 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.685 78.0 134.5 65.1 20.8 -10.0 -3.6 2.1 141 146 A I < - 0 0 14 -5,-1.4 2,-0.4 -71,-0.0 -1,-0.3 -0.843 41.5-160.9 -99.1 131.5 -8.3 -4.4 5.4 142 147 A I - 0 0 23 -2,-0.4 46,-0.1 1,-0.1 47,-0.1 -0.922 8.5-156.0-108.4 137.2 -10.3 -5.9 8.3 143 148 A H - 0 0 34 -2,-0.4 -1,-0.1 45,-0.2 2,-0.1 0.938 16.3-175.8 -75.3 -49.4 -8.7 -5.6 11.8 144 149 A R + 0 0 99 44,-0.2 32,-0.1 1,-0.1 -1,-0.1 0.086 68.4 62.0 79.8 -23.0 -10.6 -8.6 13.4 145 150 A D + 0 0 34 -2,-0.1 2,-0.3 18,-0.1 -1,-0.1 -0.228 63.3 159.6-129.5 47.4 -9.3 -8.1 16.9 146 151 A L + 0 0 1 28,-0.1 3,-0.1 44,-0.1 17,-0.0 -0.556 19.4 133.3 -74.9 131.9 -10.6 -4.7 18.0 147 152 A K > - 0 0 24 -2,-0.3 3,-1.7 1,-0.1 4,-0.1 -0.962 67.9 -84.3-169.2 167.2 -10.5 -4.4 21.7 148 153 A P G > S+ 0 0 4 0, 0.0 3,-2.9 0, 0.0 -39,-0.6 0.919 122.1 53.4 -53.8 -52.3 -9.4 -2.0 24.5 149 154 A S G 3 S+ 0 0 9 1,-0.3 17,-0.4 -40,-0.2 15,-0.1 0.664 104.8 58.3 -55.8 -18.0 -5.8 -3.1 24.7 150 155 A N G < S+ 0 0 5 -3,-1.7 12,-3.5 15,-0.1 2,-0.5 0.309 92.5 83.3 -95.5 9.1 -5.5 -2.5 20.9 151 156 A L E < - I 0 161C 0 -3,-2.9 -42,-2.0 10,-0.2 2,-0.4 -0.961 66.2-160.1-115.5 117.6 -6.5 1.1 21.4 152 157 A A E -HI 108 160C 6 8,-2.8 8,-2.9 -2,-0.5 2,-0.4 -0.820 9.5-177.1-106.2 136.2 -3.8 3.5 22.4 153 158 A V E -HI 107 159C 6 -46,-2.5 -46,-1.0 -2,-0.4 6,-0.2 -0.985 11.1-153.2-138.5 116.8 -4.6 6.8 24.0 154 159 A N > - 0 0 33 4,-1.9 3,-1.2 -2,-0.4 -48,-0.1 -0.058 42.5 -91.8 -76.6-170.9 -2.3 9.6 24.9 155 160 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.2 -49,-0.0 0.645 125.2 66.3 -85.5 -13.4 -2.9 12.2 27.7 156 161 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.343 120.2-111.4 -75.3 4.4 -4.5 14.5 25.2 157 162 A C < + 0 0 28 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.803 67.2 156.6 60.3 29.5 -7.2 11.8 24.9 158 163 A E - 0 0 81 -53,-0.1 -4,-1.9 -30,-0.0 2,-0.4 -0.731 29.4-146.3 -91.2 139.4 -5.9 11.1 21.4 159 164 A L E + I 0 153C 1 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.862 19.6 178.5-118.1 135.5 -6.6 7.7 20.0 160 165 A K E - I 0 152C 42 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.4 -0.986 27.6-128.5-134.4 129.0 -4.8 5.3 17.7 161 166 A I E -gI 79 151C 2 -83,-2.5 -81,-2.1 -2,-0.4 2,-0.3 -0.583 28.7-151.2 -68.2 119.8 -5.7 1.8 16.6 162 167 A L - 0 0 29 -12,-3.5 3,-0.2 -2,-0.4 -1,-0.0 -0.736 17.6-141.6 -91.4 145.2 -2.9 -0.6 17.2 163 168 A D S S+ 0 0 36 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.896 92.9 2.4 -57.6 -47.0 -2.2 -3.6 15.2 164 169 A F S S- 0 0 94 -15,-0.1 -1,-0.3 -3,-0.1 2,-0.1 -0.983 77.4-154.3-148.8 134.0 -1.2 -5.6 18.4 165 170 A G - 0 0 28 -2,-0.3 -15,-0.1 1,-0.2 -16,-0.1 -0.404 29.8 -65.8-106.0 178.5 -1.2 -4.4 22.1 166 171 A L 0 0 87 -17,-0.4 -1,-0.2 1,-0.1 -137,-0.1 -0.131 360.0 360.0 -52.4 152.3 0.5 -5.0 25.5 167 172 A A 0 0 108 -138,-1.8 -1,-0.1 0, 0.0 -138,-0.1 -0.415 360.0 360.0 -62.8 360.0 0.1 -8.3 27.5 168 ! 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 0.0 169 183 A V 0 0 99 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 89.9 -9.4 -9.4 29.1 170 184 A A - 0 0 16 1,-0.1 3,-0.4 41,-0.1 4,-0.2 -0.552 360.0-136.0 -88.6 150.0 -10.4 -12.0 26.4 171 185 A T S > S+ 0 0 48 -2,-0.2 3,-1.8 1,-0.2 4,-0.3 0.915 103.0 64.5 -60.6 -41.0 -10.4 -11.6 22.6 172 186 A R G > S+ 0 0 74 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.711 83.9 72.4 -63.8 -26.9 -13.8 -13.3 22.6 173 187 A W G 3 S+ 0 0 53 -3,-0.4 36,-0.4 1,-0.3 -1,-0.3 0.702 107.6 34.2 -62.8 -20.6 -15.7 -10.6 24.5 174 188 A Y G < S+ 0 0 3 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 0.292 91.4 116.8-119.0 2.8 -15.5 -8.2 21.5 175 189 A R S < S- 0 0 56 -3,-1.1 16,-0.1 -4,-0.3 -30,-0.1 -0.571 70.0-110.2 -80.8 137.7 -15.8 -10.7 18.6 176 190 A A >> - 0 0 0 -2,-0.3 4,-1.6 14,-0.2 3,-0.9 -0.313 27.2-119.8 -61.7 145.9 -18.8 -10.6 16.2 177 191 A P H 3> S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.897 111.8 59.5 -59.3 -37.3 -21.1 -13.5 16.6 178 192 A E H 34>S+ 0 0 18 1,-0.3 5,-2.5 99,-0.2 7,-0.1 0.811 105.4 48.6 -62.4 -30.2 -20.6 -14.6 13.0 179 193 A I H X45S+ 0 0 27 -3,-0.9 3,-0.9 3,-0.2 -1,-0.3 0.818 109.4 53.9 -73.0 -33.2 -16.8 -15.0 13.7 180 194 A M H 3<5S+ 0 0 21 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.868 106.8 50.2 -64.6 -39.0 -17.8 -17.0 16.8 181 195 A L T 3<5S- 0 0 62 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.335 119.0-118.4 -81.8 3.3 -19.9 -19.3 14.6 182 196 A N T < 5 + 0 0 129 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.688 45.6 177.1 71.3 19.2 -16.8 -19.6 12.4 183 197 A W > < - 0 0 86 -5,-2.5 3,-0.6 1,-0.2 -1,-0.2 -0.400 21.7-153.0 -55.4 127.9 -18.4 -18.0 9.2 184 198 A M T 3 S+ 0 0 159 1,-0.2 -1,-0.2 -2,-0.1 -5,-0.1 0.452 86.0 57.2 -80.6 -5.0 -15.6 -17.9 6.6 185 199 A H T 3 + 0 0 138 -7,-0.1 -1,-0.2 2,-0.0 -6,-0.1 0.144 67.3 145.7-127.6 20.1 -17.2 -15.0 4.8 186 200 A Y < - 0 0 59 -3,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.090 35.9-139.6 -56.3 152.3 -17.6 -12.2 7.3 187 201 A N > - 0 0 52 1,-0.0 3,-1.3 -45,-0.0 4,-0.2 -0.360 36.9 -75.7-102.1-171.7 -17.3 -8.5 6.2 188 202 A Q T > S+ 0 0 57 1,-0.2 3,-2.2 2,-0.1 4,-0.4 0.690 114.1 78.9 -50.0 -26.5 -15.7 -5.4 7.6 189 203 A T T 3> + 0 0 9 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.477 66.3 83.8 -83.7 0.4 -18.4 -4.8 10.1 190 204 A V H <> S+ 0 0 2 -3,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.830 93.8 51.7 -55.6 -32.2 -17.1 -7.4 12.4 191 205 A D H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.845 104.0 54.7 -76.2 -34.2 -15.0 -4.4 13.5 192 206 A I H > S+ 0 0 0 -4,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.920 104.6 54.5 -61.4 -44.6 -18.0 -2.3 13.9 193 207 A W H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.854 108.0 50.4 -49.8 -43.1 -19.4 -5.0 16.3 194 208 A S H X S+ 0 0 3 -4,-1.0 4,-2.1 2,-0.2 3,-0.3 0.957 108.4 50.8 -66.1 -52.3 -16.2 -4.7 18.3 195 209 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-0.4 0.928 107.6 54.7 -45.6 -49.7 -16.5 -0.9 18.5 196 210 A G H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.891 109.1 47.0 -56.0 -42.5 -20.1 -1.3 19.7 197 211 A C H X S+ 0 0 0 -4,-1.7 4,-1.2 -3,-0.3 11,-0.5 0.800 113.6 48.6 -69.8 -33.2 -18.9 -3.6 22.6 198 212 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 -3,-0.4 3,-0.4 0.954 110.8 49.1 -71.7 -53.3 -16.2 -1.1 23.4 199 213 A M H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.879 110.4 52.8 -46.9 -45.2 -18.5 1.9 23.4 200 214 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 6,-0.4 0.877 107.5 51.4 -60.4 -40.2 -20.9 -0.1 25.6 201 215 A E H X S+ 0 0 15 -4,-1.2 4,-2.3 -3,-0.4 5,-0.3 0.860 110.7 48.1 -69.1 -36.2 -18.1 -0.8 28.1 202 216 A L H < S+ 0 0 5 -4,-2.1 -85,-1.1 2,-0.2 -2,-0.2 0.884 110.7 49.7 -71.2 -39.0 -17.1 2.9 28.3 203 217 A L H < S+ 0 0 38 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.857 128.6 21.3 -69.4 -33.4 -20.7 4.2 28.9 204 218 A T H < S- 0 0 68 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.652 93.7-124.9-109.2 -25.3 -21.4 1.7 31.7 205 219 A G S < S+ 0 0 40 -4,-2.3 2,-0.4 -5,-0.3 -3,-0.2 0.610 78.7 104.6 79.6 16.1 -18.0 0.6 33.0 206 220 A R S S- 0 0 198 -6,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 -0.991 80.4-109.6-134.5 134.3 -19.0 -3.1 32.4 207 221 A T - 0 0 33 -2,-0.4 -9,-0.1 1,-0.1 -10,-0.0 -0.371 26.9-143.9 -54.3 121.0 -18.0 -5.6 29.7 208 222 A L S S+ 0 0 36 -11,-0.5 -1,-0.1 1,-0.2 -34,-0.1 0.970 90.3 20.4 -52.5 -57.1 -21.1 -6.0 27.6 209 223 A F + 0 0 5 -36,-0.4 2,-1.2 -12,-0.1 -1,-0.2 -0.748 65.3 175.3-121.7 85.2 -20.5 -9.7 27.0 210 224 A P + 0 0 66 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.127 21.4 174.7 -83.1 44.6 -18.2 -11.3 29.6 211 225 A G - 0 0 1 -2,-1.2 -38,-0.1 1,-0.1 -41,-0.1 -0.105 34.3-144.6 -54.4 146.1 -18.6 -14.8 28.3 212 226 A T S S- 0 0 103 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.641 80.4 -9.2 -84.6 -17.7 -16.5 -17.7 29.8 213 227 A D S > S- 0 0 81 -41,-0.0 4,-3.2 -40,-0.0 5,-0.2 -0.929 86.7 -76.1-159.8-172.3 -16.2 -19.4 26.4 214 228 A H H > S+ 0 0 104 -2,-0.3 4,-1.1 2,-0.2 5,-0.1 0.763 127.9 44.0 -69.5 -27.7 -17.4 -19.4 22.7 215 229 A I H > S+ 0 0 88 2,-0.2 4,-2.8 3,-0.1 3,-0.3 0.946 117.2 45.3 -74.3 -56.4 -20.8 -21.0 23.6 216 230 A D H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 109.6 57.8 -48.8 -47.3 -21.3 -18.8 26.6 217 231 A Q H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.899 109.3 42.7 -54.1 -46.7 -20.3 -15.8 24.5 218 232 A L H X S+ 0 0 7 -4,-1.1 4,-2.4 -3,-0.3 5,-0.3 0.924 109.8 58.5 -68.3 -43.6 -23.0 -16.4 21.9 219 233 A K H X S+ 0 0 102 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.960 108.5 45.3 -41.9 -64.1 -25.5 -17.1 24.7 220 234 A L H X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.781 110.7 54.3 -57.9 -34.1 -24.9 -13.6 26.2 221 235 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.932 108.6 46.3 -65.6 -46.8 -25.1 -11.9 22.8 222 236 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 -3,-0.4 -2,-0.2 0.797 103.0 65.6 -69.2 -29.9 -28.5 -13.3 21.9 223 237 A R H < S+ 0 0 144 -4,-1.8 31,-0.5 -5,-0.3 -1,-0.2 0.973 113.7 31.1 -52.6 -54.7 -29.8 -12.4 25.3 224 238 A L H < S+ 0 0 11 -4,-1.3 30,-1.5 1,-0.2 -2,-0.2 0.913 131.8 31.3 -72.1 -44.1 -29.4 -8.7 24.5 225 239 A V H < S- 0 0 12 -4,-2.6 28,-0.2 28,-0.2 52,-0.2 0.507 107.3-119.5-100.0 -5.4 -29.9 -8.7 20.7 226 240 A G < - 0 0 2 -4,-2.3 -1,-0.2 26,-0.4 -3,-0.1 0.140 37.2 -61.2 86.2 156.9 -32.4 -11.6 20.4 227 241 A T S S- 0 0 26 24,-2.1 26,-0.1 1,-0.1 2,-0.1 -0.402 73.1 -84.3 -65.2 151.7 -32.3 -14.8 18.4 228 242 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.397 44.4-129.9 -60.9 133.2 -31.9 -14.3 14.7 229 243 A G >> - 0 0 49 -3,-0.1 4,-2.0 -2,-0.1 3,-0.5 -0.112 36.6 -89.5 -66.7 178.3 -35.2 -13.7 12.9 230 244 A A H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.796 122.9 65.7 -66.7 -26.9 -36.0 -15.8 9.8 231 245 A E H 34 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.888 111.8 33.0 -64.4 -36.2 -34.3 -13.3 7.5 232 246 A L H X4 S+ 0 0 33 -3,-0.5 3,-2.4 1,-0.2 4,-0.3 0.854 109.9 68.4 -82.3 -35.5 -30.9 -14.0 9.0 233 247 A L H >< S+ 0 0 30 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.819 95.9 54.8 -53.4 -37.1 -31.7 -17.6 9.6 234 248 A K T 3< S+ 0 0 176 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.453 96.9 63.8 -82.8 -0.1 -31.7 -18.3 5.9 235 249 A K T < S+ 0 0 78 -3,-2.4 2,-0.9 -4,-0.0 -1,-0.2 0.442 74.8 105.1 -97.0 -2.2 -28.3 -16.9 5.3 236 250 A I < - 0 0 34 -3,-1.1 2,-0.7 -4,-0.3 6,-0.1 -0.729 50.7-170.1 -88.5 105.1 -26.6 -19.6 7.5 237 251 A S + 0 0 99 -2,-0.9 2,-0.4 4,-0.0 -1,-0.1 -0.153 60.1 84.7 -88.0 34.3 -24.9 -22.1 5.0 238 252 A S > - 0 0 39 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.929 62.6-155.0-152.5 107.4 -24.1 -24.6 7.7 239 253 A E H > S+ 0 0 127 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.900 95.5 55.1 -52.2 -46.2 -26.5 -27.3 9.0 240 254 A S H > S+ 0 0 87 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.926 110.8 39.7 -56.3 -63.2 -24.6 -27.5 12.3 241 255 A A H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.902 115.9 53.6 -46.9 -50.3 -24.8 -23.8 13.3 242 256 A R H X S+ 0 0 76 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.890 111.7 45.8 -57.6 -43.2 -28.4 -23.6 12.0 243 257 A N H X S+ 0 0 73 -4,-2.8 4,-0.7 -5,-0.2 -2,-0.2 0.958 110.9 53.5 -63.8 -53.1 -29.2 -26.5 14.2 244 258 A Y H >< S+ 0 0 80 -4,-3.3 3,-0.7 1,-0.2 4,-0.5 0.918 117.1 32.7 -49.6 -57.3 -27.5 -25.1 17.2 245 259 A I H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.854 115.6 55.8 -77.3 -35.1 -29.2 -21.6 17.4 246 260 A Q H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.534 108.1 53.5 -66.1 -10.0 -32.5 -22.8 16.1 247 261 A S T << S+ 0 0 94 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.581 92.9 94.0 -96.1 -17.4 -32.3 -25.3 19.0 248 262 A L S < S- 0 0 46 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.0 -0.187 93.3 -87.8 -70.1 165.7 -31.7 -22.5 21.5 249 263 A T - 0 0 106 1,-0.1 2,-0.6 -22,-0.0 -1,-0.1 -0.633 49.2-106.2 -72.3 133.6 -34.6 -20.9 23.4 250 264 A Q - 0 0 112 -2,-0.3 -1,-0.1 -4,-0.1 -4,-0.0 -0.509 40.3-165.6 -63.5 107.2 -36.1 -18.0 21.5 251 265 A M - 0 0 60 -2,-0.6 -24,-2.1 -29,-0.0 2,-0.2 -0.814 15.5-127.9 -94.8 137.6 -34.9 -14.8 23.2 252 266 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -26,-0.4 -0.585 31.3 -99.0 -78.6 148.7 -36.6 -11.5 22.4 253 267 A K - 0 0 106 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.561 44.5-129.3 -68.5 115.9 -34.5 -8.5 21.3 254 268 A M - 0 0 54 -30,-1.5 2,-0.5 -2,-0.6 -1,-0.1 -0.266 20.9-105.2 -61.8 150.4 -34.2 -6.4 24.5 255 269 A N >> - 0 0 92 1,-0.1 3,-1.1 2,-0.0 4,-1.0 -0.730 26.0-149.5 -75.2 122.8 -35.0 -2.7 24.4 256 270 A F H 3> S+ 0 0 0 -2,-0.5 4,-2.8 1,-0.3 -1,-0.1 0.774 94.9 59.3 -72.0 -29.4 -31.6 -0.8 24.4 257 271 A A H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.617 106.2 51.4 -72.6 -11.5 -33.0 2.2 26.2 258 272 A N H <4 S+ 0 0 118 -3,-1.1 3,-0.3 3,-0.1 -2,-0.2 0.730 115.4 39.5 -89.3 -29.8 -33.9 -0.2 29.0 259 273 A V H < S+ 0 0 61 -4,-1.0 2,-1.2 1,-0.2 -2,-0.2 0.907 118.6 45.5 -86.8 -48.2 -30.5 -1.8 29.3 260 274 A F S >< S- 0 0 8 -4,-2.8 3,-1.3 -5,-0.1 2,-0.3 -0.560 85.5-174.6 -95.5 69.3 -28.5 1.4 28.8 261 275 A I T 3 + 0 0 138 -2,-1.2 -3,-0.1 -3,-0.3 3,-0.1 -0.513 64.2 4.4 -78.1 125.3 -30.5 3.5 31.2 262 276 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 -2,-0.3 2,-0.2 0.604 93.0 129.9 78.3 14.0 -29.5 7.2 31.3 263 277 A A S < S- 0 0 24 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.643 80.5 -75.0 -83.9 157.1 -26.9 7.0 28.6 264 278 A N >> - 0 0 45 -2,-0.2 4,-2.1 1,-0.2 3,-0.7 -0.298 41.7-134.1 -51.1 119.5 -27.3 9.6 25.9 265 279 A P H 3> S+ 0 0 109 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.696 108.0 56.8 -57.8 -12.3 -30.2 8.4 23.8 266 280 A L H 3> S+ 0 0 69 2,-0.2 4,-2.4 3,-0.1 27,-0.2 0.881 104.2 50.9 -78.6 -44.9 -28.1 9.1 20.7 267 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.1 0.895 110.6 50.0 -49.0 -48.1 -25.4 6.8 22.1 268 282 A V H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 107.6 53.5 -64.4 -39.9 -28.1 4.2 22.6 269 283 A D H >X S+ 0 0 57 -4,-1.3 4,-1.8 -5,-0.3 3,-0.6 0.973 109.2 47.7 -58.2 -57.5 -29.3 4.6 19.0 270 284 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 5,-0.2 0.894 109.5 54.3 -45.6 -50.0 -25.8 4.1 17.6 271 285 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.825 105.8 53.0 -56.5 -37.3 -25.4 1.0 19.8 272 286 A E H << S+ 0 0 48 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.902 109.9 48.0 -61.5 -43.2 -28.6 -0.4 18.3 273 287 A K H < S+ 0 0 87 -4,-1.8 10,-2.4 1,-0.2 -2,-0.2 0.628 117.3 41.9 -77.9 -12.6 -27.2 0.2 14.8 274 288 A M H < S+ 0 0 0 -4,-1.1 2,-0.3 8,-0.2 -2,-0.2 0.762 106.0 58.2-101.6 -38.7 -23.8 -1.5 15.6 275 289 A L S < S+ 0 0 2 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.1 -0.042 73.9 140.5 -89.0 38.7 -24.9 -4.5 17.7 276 290 A V - 0 0 43 -2,-0.3 6,-0.1 -3,-0.2 5,-0.1 -0.663 50.8-141.9 -81.3 130.2 -27.1 -5.9 14.9 277 291 A L S S+ 0 0 27 -2,-0.4 2,-0.6 -52,-0.2 -99,-0.2 0.960 86.0 67.8 -54.5 -56.7 -26.9 -9.6 14.5 278 292 A D S >> S- 0 0 14 1,-0.1 3,-2.2 -3,-0.1 4,-0.7 -0.551 72.6-153.7 -77.7 115.6 -27.1 -9.7 10.7 279 293 A S T 34 S+ 0 0 7 -2,-0.6 -90,-0.2 1,-0.3 -1,-0.1 0.552 88.6 67.3 -75.7 -7.6 -23.9 -8.2 9.3 280 294 A D T 34 S+ 0 0 85 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.659 109.0 41.5 -76.8 -14.2 -25.4 -7.0 6.0 281 295 A K T <4 S+ 0 0 125 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.540 85.5 113.0-109.7 -13.3 -27.4 -4.5 8.1 282 296 A R S < S- 0 0 7 -4,-0.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.379 77.8-103.9 -61.2 137.3 -24.8 -3.4 10.6 283 297 A I - 0 0 18 -10,-2.4 2,-0.1 -13,-0.2 -1,-0.1 -0.298 37.4-124.8 -58.7 144.6 -23.9 0.3 10.2 284 298 A T > - 0 0 49 1,-0.1 4,-1.6 -3,-0.1 5,-0.2 -0.436 21.2-107.9 -87.5 168.6 -20.5 0.9 8.5 285 299 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.960 122.1 49.3 -58.0 -49.7 -17.6 2.9 9.9 286 300 A A H > S+ 0 0 47 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.882 113.1 45.5 -57.8 -43.3 -18.3 5.6 7.2 287 301 A Q H 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.726 109.0 56.3 -72.7 -22.3 -22.1 5.7 8.0 288 302 A A H >< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.4 6,-0.2 0.841 98.8 59.9 -78.4 -32.5 -21.5 5.8 11.8 289 303 A L H 3< S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.903 103.5 52.1 -58.7 -42.6 -19.3 8.9 11.5 290 304 A A T 3< S+ 0 0 65 -4,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.418 85.5 119.9 -68.7 -2.5 -22.4 10.7 10.0 291 305 A H S X S- 0 0 20 -3,-1.5 3,-1.5 1,-0.1 7,-0.2 -0.386 76.4-120.2 -66.2 148.4 -24.4 9.6 13.0 292 306 A A G > S+ 0 0 56 1,-0.3 3,-3.3 2,-0.2 4,-0.3 0.870 106.9 74.0 -54.5 -42.6 -25.9 12.4 15.1 293 307 A Y G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -27,-0.2 3,-0.2 0.740 102.5 42.2 -44.8 -28.8 -24.0 11.2 18.2 294 308 A F G X> S+ 0 0 0 -3,-1.5 4,-3.4 -6,-0.2 3,-2.0 0.117 76.2 121.7-108.5 21.3 -20.8 12.6 16.6 295 309 A A T <4 S+ 0 0 76 -3,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.844 74.7 52.5 -51.2 -39.5 -22.3 15.9 15.3 296 310 A Q T 34 S+ 0 0 171 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.619 122.7 29.8 -76.5 -8.2 -19.8 18.0 17.3 297 311 A Y T <4 S+ 0 0 72 -3,-2.0 -2,-0.2 -8,-0.1 -1,-0.2 0.645 91.1 109.0-115.0 -29.4 -16.9 16.0 15.8 298 312 A H < + 0 0 57 -4,-3.4 5,-0.1 -7,-0.2 -8,-0.0 -0.333 31.9 162.9 -66.6 124.0 -18.0 14.9 12.4 299 313 A D > - 0 0 65 -2,-0.2 3,-2.1 3,-0.1 -1,-0.0 -0.827 22.2-164.6-142.7 100.1 -16.3 16.7 9.5 300 314 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.754 89.9 59.9 -58.2 -26.9 -16.7 14.9 6.0 301 315 A D G 3 S+ 0 0 154 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.589 109.2 44.3 -77.7 -11.5 -13.9 17.1 4.6 302 316 A D G < S+ 0 0 75 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 -0.374 86.5 89.6-132.3 51.1 -11.4 15.7 7.1 303 317 A E < - 0 0 10 -3,-0.7 -1,-0.1 -5,-0.1 -14,-0.0 -0.535 65.3-167.4-141.9 71.4 -12.1 11.9 7.3 304 318 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.013 14.2-134.4 -71.9 165.1 -9.8 10.5 4.6 305 319 A V - 0 0 87 -167,-0.1 -170,-0.2 1,-0.1 2,-0.1 -0.702 28.9-103.8-107.8 163.2 -9.6 7.1 3.0 306 320 A A - 0 0 14 -171,-0.7 3,-0.1 -172,-0.3 -1,-0.1 -0.435 30.1-102.5 -86.4 159.8 -6.4 5.1 2.4 307 321 A D - 0 0 113 -234,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.347 62.1 -77.5 -63.1 160.9 -4.4 4.5 -0.8 308 322 A P - 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.382 47.7-143.6 -68.7 146.0 -5.1 1.1 -2.2 309 323 A Y - 0 0 20 -170,-0.3 2,-0.9 -3,-0.1 -239,-0.0 -0.934 4.3-139.7-114.7 122.1 -3.3 -1.8 -0.4 310 324 A D + 0 0 92 -2,-0.5 3,-0.3 1,-0.2 -171,-0.0 -0.656 32.8 159.8 -81.6 106.1 -2.0 -4.8 -2.2 311 325 A Q > + 0 0 57 -2,-0.9 3,-2.7 1,-0.2 4,-0.3 0.225 37.1 114.6-111.3 19.9 -2.7 -7.9 -0.2 312 326 A S G > + 0 0 44 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.731 67.2 73.8 -55.3 -20.1 -2.4 -10.4 -3.0 313 327 A F G > S+ 0 0 6 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.715 78.1 75.5 -66.1 -22.3 0.6 -11.7 -1.0 314 328 A E G < S+ 0 0 55 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.779 96.2 47.7 -60.6 -26.2 -1.9 -13.2 1.4 315 329 A S G < S+ 0 0 92 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.434 88.2 105.7 -94.9 -2.4 -2.6 -16.0 -1.1 316 330 A R < - 0 0 108 -3,-1.4 2,-0.7 -4,-0.2 -3,-0.0 -0.599 56.7-152.5 -82.5 138.0 1.0 -16.9 -1.9 317 331 A D + 0 0 162 -2,-0.3 2,-0.3 0, 0.0 -3,-0.0 -0.888 36.1 167.2-107.0 101.3 2.6 -20.1 -0.5 318 332 A L - 0 0 44 -2,-0.7 -256,-0.1 -260,-0.1 5,-0.1 -0.760 38.0 -94.2-122.2 154.0 6.3 -19.1 -0.3 319 333 A L >> - 0 0 112 -2,-0.3 4,-2.1 1,-0.1 3,-1.7 -0.307 36.5-114.3 -63.4 147.6 9.5 -20.4 1.2 320 334 A I H 3> S+ 0 0 65 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.855 119.9 50.3 -43.8 -44.8 10.7 -19.1 4.6 321 335 A D H 3> S+ 0 0 109 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.602 106.8 57.0 -75.4 -15.1 13.7 -17.5 2.8 322 336 A E H <> S+ 0 0 92 -3,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.901 109.8 40.8 -83.9 -44.0 11.4 -15.9 0.3 323 337 A W H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.860 113.2 58.1 -65.0 -34.8 9.2 -14.1 3.0 324 338 A K H X S+ 0 0 30 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.917 109.8 42.5 -58.2 -43.4 12.5 -13.3 4.8 325 339 A S H X S+ 0 0 35 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.731 108.9 56.2 -82.8 -27.2 13.8 -11.5 1.7 326 340 A L H X S+ 0 0 57 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.870 109.5 49.2 -68.0 -37.7 10.6 -9.7 0.8 327 341 A T H >X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 3,-0.6 0.951 107.3 53.6 -62.1 -53.3 10.7 -8.2 4.3 328 342 A Y H 3X S+ 0 0 32 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.843 107.8 51.4 -52.3 -37.2 14.3 -7.2 3.9 329 343 A D H 3X S+ 0 0 80 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.833 109.3 50.4 -68.2 -35.6 13.2 -5.4 0.7 330 344 A E H << S+ 0 0 38 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.860 111.1 48.0 -72.0 -33.6 10.5 -3.7 2.7 331 345 A V H >< S+ 0 0 15 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.945 114.2 47.4 -66.3 -47.7 13.0 -2.6 5.4 332 346 A I H 3< S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.788 110.8 50.2 -65.9 -33.1 15.4 -1.4 2.8 333 347 A S T 3< S+ 0 0 70 -4,-1.8 -1,-0.3 -5,-0.1 2,-0.3 0.294 81.9 132.9 -92.2 16.3 12.9 0.6 0.8 334 348 A F < - 0 0 32 -3,-1.3 -3,-0.1 -249,-0.1 -249,-0.0 -0.466 40.8-158.1 -79.3 130.8 11.5 2.4 3.8 335 349 A V - 0 0 116 -2,-0.3 -2,-0.1 -263,-0.1 -1,-0.1 -0.921 18.9-127.1-106.6 116.1 10.9 6.2 3.6 336 350 A P - 0 0 77 0, 0.0 -252,-0.1 0, 0.0 -253,-0.1 -0.256 29.5-112.6 -51.3 140.4 10.8 8.1 6.9 337 351 A P - 0 0 66 0, 0.0 -262,-0.0 0, 0.0 0, 0.0 -0.526 47.9 -84.1 -68.1 152.0 7.7 10.3 7.2 338 352 A P - 0 0 105 0, 0.0 2,-0.8 0, 0.0 -3,-0.0 -0.263 42.5-116.4 -52.7 139.7 8.5 14.0 7.1 339 353 A L 0 0 120 -3,-0.1 -297,-0.0 1,-0.1 0, 0.0 -0.766 360.0 360.0 -80.5 109.1 9.5 15.6 10.5 340 354 A D 0 0 179 -2,-0.8 -1,-0.1 0, 0.0 -298,-0.0 -0.474 360.0 360.0-136.1 360.0 6.8 18.2 11.5