==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-MAY-12 4EYM . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.MILLER,T.J.BRETT . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 63.5 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 . 42 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.1 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 3 1 1 0 1 0 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 . 0 1 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 170 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.9 -40.8 -1.5 -41.5 2 3 A L - 0 0 106 1,-0.1 92,-0.2 4,-0.0 3,-0.1 -0.824 360.0-126.0-140.3 173.2 -37.2 -1.3 -42.9 3 4 A I S S- 0 0 132 1,-0.4 2,-0.3 -2,-0.2 91,-0.1 0.821 95.5 -14.1 -89.6 -41.6 -33.7 -2.7 -42.5 4 5 A R S S- 0 0 62 89,-0.1 -1,-0.4 4,-0.1 89,-0.2 -0.977 86.2 -77.7-154.4 161.5 -32.2 0.8 -42.1 5 6 A K > - 0 0 84 87,-1.9 3,-1.1 -2,-0.3 89,-0.1 -0.282 58.7 -93.8 -61.4 144.0 -33.2 4.4 -42.6 6 7 A K T 3 S+ 0 0 171 1,-0.2 -1,-0.1 15,-0.0 3,-0.1 -0.182 110.0 37.2 -56.2 148.4 -33.2 5.8 -46.1 7 8 A G T 3 S+ 0 0 14 1,-0.4 15,-2.6 14,-0.1 2,-0.3 0.495 92.2 116.7 84.2 2.8 -30.1 7.6 -47.3 8 9 A F E < -A 21 0A 35 -3,-1.1 -1,-0.4 13,-0.3 2,-0.4 -0.777 45.6-165.7 -99.1 148.9 -28.0 5.1 -45.4 9 10 A Y E -A 20 0A 61 11,-2.5 11,-1.9 -2,-0.3 2,-0.5 -0.991 18.4-125.8-134.8 146.3 -25.5 2.7 -47.1 10 11 A K E +A 19 0A 139 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.762 36.6 164.8 -91.6 130.2 -23.7 -0.3 -45.8 11 12 A Q E -A 18 0A 79 7,-3.0 7,-3.3 -2,-0.5 2,-0.4 -0.990 35.6-120.5-146.9 139.5 -19.9 -0.4 -46.1 12 13 A D E -A 17 0A 106 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.625 27.9-177.8 -77.5 129.4 -17.1 -2.4 -44.7 13 14 A V E > S-A 16 0A 7 3,-3.5 3,-0.8 -2,-0.4 15,-0.1 -0.982 74.1 -14.5-128.5 119.1 -14.5 -0.4 -42.8 14 15 A N T 3 S- 0 0 67 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.918 130.1 -53.4 54.2 44.8 -11.5 -2.2 -41.4 15 16 A K T 3 S+ 0 0 185 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.750 120.8 102.8 62.9 26.0 -13.3 -5.6 -42.0 16 17 A T E < S-A 13 0A 57 -3,-0.8 -3,-3.5 -5,-0.1 2,-0.5 -0.972 76.9-106.0-133.7 153.2 -16.3 -4.5 -40.1 17 18 A A E -A 12 0A 48 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.661 33.9-171.8 -84.7 124.5 -19.7 -3.3 -41.4 18 19 A W E -A 11 0A 3 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.6 -0.922 13.3-155.0-114.1 140.6 -20.5 0.4 -41.1 19 20 A E E +A 10 0A 43 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.882 26.9 172.8-116.0 100.1 -23.9 2.0 -41.8 20 21 A L E -A 9 0A 0 -11,-1.9 -11,-2.5 -2,-0.6 2,-0.0 -0.794 34.1-109.3-113.6 147.7 -23.4 5.6 -42.8 21 22 A P E > -A 8 0A 16 0, 0.0 3,-1.9 0, 0.0 -13,-0.3 -0.360 37.8-109.7 -64.0 151.9 -25.7 8.4 -44.1 22 23 A K T 3 S+ 0 0 106 -15,-2.6 22,-0.2 1,-0.3 -14,-0.1 0.827 112.8 69.5 -51.7 -38.5 -25.1 9.5 -47.8 23 24 A T T 3 S+ 0 0 29 -16,-0.2 21,-1.3 20,-0.1 2,-0.6 0.638 90.4 69.7 -62.9 -14.3 -23.7 12.8 -46.7 24 25 A Y E < +B 43 0B 2 -3,-1.9 2,-0.2 19,-0.2 19,-0.2 -0.927 69.1 171.8-109.9 121.7 -20.6 11.1 -45.3 25 26 A V E +B 42 0B 46 17,-2.3 17,-2.5 -2,-0.6 -2,-0.0 -0.739 45.7 30.1-126.8 169.2 -18.3 9.5 -47.9 26 27 A S E S- 0 0 82 -2,-0.2 -1,-0.2 15,-0.2 14,-0.1 0.881 70.8-161.8 50.4 49.5 -14.9 7.9 -48.3 27 28 A P E - 0 0 14 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.366 7.6-168.7 -61.2 139.8 -14.8 6.4 -44.8 28 29 A T E -B 40 0B 79 12,-2.0 12,-2.5 -15,-0.1 -15,-0.1 -0.985 25.0-107.9-139.3 124.8 -11.3 5.4 -43.8 29 30 A H E +B 39 0B 81 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.074 39.7 163.9 -45.5 141.1 -10.2 3.3 -40.8 30 31 A V E - 0 0 77 8,-2.2 2,-0.3 1,-0.3 9,-0.2 0.598 57.4 -27.1-127.2 -50.2 -8.4 5.2 -38.0 31 32 A G E -B 38 0B 26 7,-1.4 7,-3.0 2,-0.0 2,-0.4 -0.975 43.6-129.9-167.3 154.9 -8.4 3.1 -34.9 32 33 A S E -B 37 0B 88 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.950 36.0-175.6-111.5 133.5 -10.1 0.3 -33.0 33 34 A G - 0 0 56 3,-2.8 -2,-0.0 -2,-0.4 0, 0.0 -0.447 39.7 -88.0-121.9-170.2 -10.9 0.9 -29.3 34 35 A A S S+ 0 0 85 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.817 121.8 13.5 -72.7 -32.4 -12.2 -0.6 -26.1 35 36 A Y S S- 0 0 101 1,-0.1 21,-2.9 19,-0.0 2,-0.3 0.340 133.6 -11.1-129.1 2.9 -15.9 0.2 -26.7 36 37 A G E - C 0 55B 10 19,-0.3 -3,-2.8 21,-0.0 2,-0.3 -0.953 63.8-109.0-175.7-168.2 -16.0 1.3 -30.4 37 38 A S E -BC 32 54B 22 17,-1.9 17,-2.8 -2,-0.3 2,-0.3 -0.974 21.2-137.0-145.9 158.3 -13.9 2.1 -33.4 38 39 A V E +BC 31 53B 40 -7,-3.0 -8,-2.2 -2,-0.3 -7,-1.4 -0.879 17.7 173.3-123.0 147.8 -13.2 5.3 -35.4 39 40 A C E -BC 29 52B 0 13,-2.3 13,-3.8 -2,-0.3 2,-0.3 -0.928 26.1-123.7-136.5 165.5 -13.0 6.2 -39.1 40 41 A S E +BC 28 51B 9 -12,-2.5 -12,-2.0 -2,-0.3 2,-0.3 -0.715 32.0 173.4-101.1 164.2 -12.5 9.5 -41.0 41 42 A A E - C 0 50B 2 9,-2.0 9,-3.3 -2,-0.3 2,-0.5 -0.986 31.6-111.5-162.6 161.9 -14.9 10.7 -43.7 42 43 A I E -BC 25 49B 57 -17,-2.5 -17,-2.3 -2,-0.3 2,-1.4 -0.895 18.3-143.5-102.6 125.8 -15.7 13.7 -46.0 43 44 A D E >>> -BC 24 48B 20 5,-2.4 3,-3.2 -2,-0.5 4,-3.2 -0.708 15.1-159.8 -82.7 88.1 -18.9 15.6 -45.3 44 45 A K T 345S+ 0 0 136 -2,-1.4 -1,-0.2 -21,-1.3 -20,-0.1 0.722 85.1 69.9 -47.7 -24.5 -19.6 16.2 -49.0 45 46 A R T 345S+ 0 0 157 -22,-0.5 -1,-0.3 1,-0.2 -21,-0.1 0.866 124.9 6.3 -57.8 -38.3 -21.8 19.1 -47.9 46 47 A S T <45S- 0 0 74 -3,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.523 93.8-124.6-123.4 -15.7 -18.8 21.1 -46.9 47 48 A G T <5 + 0 0 47 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.534 63.1 142.1 78.2 6.6 -15.9 18.9 -48.1 48 49 A E E < -C 43 0B 136 -5,-0.6 -5,-2.4 1,-0.1 2,-0.5 -0.568 54.8-116.4 -84.9 145.5 -14.5 18.9 -44.5 49 50 A K E -C 42 0B 97 -2,-0.2 59,-1.2 -7,-0.2 2,-0.2 -0.676 37.6-178.6 -82.7 124.2 -12.8 15.8 -43.0 50 51 A V E -CD 41 107B 7 -9,-3.3 -9,-2.0 -2,-0.5 2,-0.5 -0.722 25.0-126.7-114.7 167.6 -14.6 14.4 -40.0 51 52 A A E -CD 40 106B 11 55,-2.9 55,-2.4 -2,-0.2 2,-0.5 -0.965 22.0-158.8-111.4 133.5 -14.0 11.6 -37.6 52 53 A I E -CD 39 105B 0 -13,-3.8 -13,-2.3 -2,-0.5 2,-0.6 -0.961 0.3-158.3-117.6 124.5 -16.8 9.1 -37.1 53 54 A K E -CD 38 104B 38 51,-2.9 51,-2.5 -2,-0.5 2,-0.6 -0.888 3.7-155.9-102.5 119.0 -17.0 6.9 -34.0 54 55 A K E -CD 37 103B 38 -17,-2.8 -17,-1.9 -2,-0.6 2,-0.3 -0.839 17.7-135.2 -90.0 117.7 -19.1 3.7 -34.2 55 56 A L E -C 36 0B 4 47,-2.2 2,-0.7 -2,-0.6 -19,-0.3 -0.586 17.7-135.8 -71.9 134.4 -20.2 2.6 -30.8 56 57 A S - 0 0 44 -21,-2.9 45,-0.1 -2,-0.3 -1,-0.1 -0.837 68.8 -35.3-101.0 110.6 -19.7 -1.2 -30.3 57 58 A R S > S+ 0 0 184 -2,-0.7 3,-1.2 1,-0.1 -1,-0.2 0.909 73.6 171.1 45.7 54.7 -22.6 -3.1 -28.7 58 59 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 10,-0.2 0.734 72.0 54.7 -65.3 -21.5 -23.5 -0.2 -26.4 59 60 A F T 3 S+ 0 0 25 41,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.095 73.5 101.2-107.4 33.5 -26.7 -1.9 -25.4 60 61 A Q S < S+ 0 0 109 -3,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.564 95.8 0.5 -91.3 -10.7 -25.2 -5.2 -24.2 61 62 A S S > S- 0 0 36 -3,-0.4 4,-2.4 -4,-0.1 3,-0.3 -0.948 74.9-104.3-170.5 154.3 -25.4 -4.2 -20.5 62 63 A E H > S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.813 120.5 56.1 -53.6 -33.2 -26.5 -1.3 -18.3 63 64 A I H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 108.7 44.6 -68.7 -43.4 -22.9 -0.4 -17.9 64 65 A F H > S+ 0 0 47 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.898 113.6 50.4 -66.4 -41.7 -22.2 -0.1 -21.6 65 66 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.903 111.4 46.9 -68.4 -41.0 -25.4 1.9 -22.2 66 67 A K H X S+ 0 0 68 -4,-2.1 4,-3.6 -5,-0.2 5,-0.2 0.970 113.6 48.5 -62.7 -51.4 -24.7 4.4 -19.5 67 68 A R H X S+ 0 0 71 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 113.4 46.7 -54.2 -50.2 -21.1 4.9 -20.6 68 69 A A H X S+ 0 0 4 -4,-2.7 4,-1.6 -10,-0.2 -1,-0.2 0.894 114.4 48.6 -58.9 -41.8 -22.2 5.4 -24.2 69 70 A Y H X S+ 0 0 17 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.925 109.6 52.3 -62.5 -47.0 -24.9 7.8 -23.1 70 71 A R H X S+ 0 0 70 -4,-3.6 4,-2.5 1,-0.2 5,-0.2 0.902 106.7 52.4 -56.9 -45.0 -22.5 9.7 -20.9 71 72 A E H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 110.2 49.5 -59.8 -41.6 -20.0 10.2 -23.8 72 73 A L H X S+ 0 0 1 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.933 112.0 46.8 -62.3 -48.3 -22.8 11.6 -25.9 73 74 A L H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.878 113.9 47.3 -64.1 -39.0 -24.0 14.0 -23.2 74 75 A L H X S+ 0 0 5 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 112.4 47.6 -70.8 -45.2 -20.5 15.3 -22.4 75 76 A L H < S+ 0 0 9 -4,-2.2 11,-1.0 -5,-0.2 -1,-0.2 0.866 115.5 48.1 -61.2 -37.0 -19.5 15.8 -26.0 76 77 A K H < S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.864 110.8 50.2 -70.4 -39.3 -22.8 17.6 -26.6 77 78 A H H < S+ 0 0 55 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.844 93.9 79.8 -71.9 -36.4 -22.5 19.8 -23.5 78 79 A M < + 0 0 1 -4,-1.9 2,-0.4 6,-0.2 8,-0.3 -0.609 50.2 179.0 -83.5 129.6 -19.0 21.2 -24.0 79 80 A Q + 0 0 131 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.777 33.6 122.5-127.9 84.9 -18.6 24.1 -26.5 80 81 A H > - 0 0 23 3,-0.5 3,-2.0 -2,-0.4 -2,-0.0 -0.994 64.9-125.3-153.8 139.6 -15.0 25.1 -26.6 81 82 A E T 3 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.816 112.9 41.5 -48.6 -38.8 -12.2 25.4 -29.1 82 83 A N T 3 S+ 0 0 3 82,-0.1 83,-2.8 50,-0.1 2,-0.4 0.137 101.8 77.4-106.8 20.3 -9.9 23.1 -27.1 83 84 A V B < S-f 165 0C 3 -3,-2.0 -3,-0.5 81,-0.3 83,-0.1 -0.996 87.2-112.1-128.7 126.5 -12.4 20.5 -26.0 84 85 A I - 0 0 11 81,-2.1 2,-0.2 -2,-0.4 -6,-0.2 -0.320 47.9-179.7 -59.5 137.4 -13.6 17.8 -28.5 85 86 A G - 0 0 14 -4,-0.1 2,-0.5 -8,-0.1 -9,-0.2 -0.738 27.2 -85.8-136.2-179.7 -17.2 18.3 -29.3 86 87 A L + 0 0 26 -11,-1.0 20,-0.2 -8,-0.3 3,-0.1 -0.810 28.5 168.6-102.4 122.8 -20.2 17.0 -31.3 87 88 A L S S- 0 0 77 18,-2.8 2,-0.3 -2,-0.5 19,-0.2 0.743 76.0 -15.9 -90.0 -30.8 -20.9 17.9 -34.9 88 89 A D E -E 105 0B 23 17,-1.4 17,-3.0 253,-0.1 -1,-0.4 -0.979 51.0-152.7-171.2 151.5 -23.6 15.2 -35.3 89 90 A V E +E 104 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.994 26.3 162.7-136.2 133.2 -25.1 12.0 -33.9 90 91 A F E -E 103 0B 14 13,-2.1 13,-3.8 -2,-0.4 247,-0.0 -0.964 22.9-162.3-147.4 165.5 -26.9 9.3 -35.8 91 92 A T - 0 0 4 -2,-0.3 11,-0.1 11,-0.3 -86,-0.1 -0.989 21.8-141.7-143.3 142.2 -28.2 5.8 -35.8 92 93 A P S S+ 0 0 5 0, 0.0 -87,-1.9 0, 0.0 10,-0.1 0.706 70.1 114.9 -74.5 -18.3 -29.2 3.6 -38.8 93 94 A A - 0 0 4 8,-0.4 -2,-0.2 -89,-0.2 -89,-0.1 -0.063 49.6-166.8 -52.8 149.5 -32.0 2.2 -36.6 94 95 A S S S+ 0 0 38 1,-0.2 2,-0.3 -92,-0.2 -1,-0.1 0.396 73.6 3.2-115.6 -5.4 -35.6 2.9 -37.6 95 96 A S S > S- 0 0 48 1,-0.1 4,-1.4 -94,-0.0 -1,-0.2 -0.941 85.9 -86.1-160.9-177.3 -37.1 1.7 -34.2 96 97 A L T 4 S+ 0 0 57 -2,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.836 126.5 52.5 -70.3 -32.3 -36.1 0.4 -30.8 97 98 A R T 4 S+ 0 0 215 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.869 112.3 47.2 -68.6 -35.1 -36.0 -3.2 -32.0 98 99 A N T 4 S+ 0 0 39 2,-0.0 2,-0.7 1,-0.0 -2,-0.2 0.796 87.0 109.0 -68.2 -30.9 -33.6 -1.9 -34.7 99 100 A F < + 0 0 0 -4,-1.4 3,-0.1 1,-0.2 230,-0.0 -0.305 25.4 133.0 -64.2 101.0 -31.6 0.1 -32.2 100 101 A Y S S- 0 0 150 -2,-0.7 -41,-0.6 1,-0.4 2,-0.3 0.636 71.4 -16.1-115.3 -26.5 -28.2 -1.7 -31.8 101 102 A D - 0 0 19 -3,-0.2 -8,-0.4 -44,-0.1 -1,-0.4 -0.952 52.8-144.0-165.3 175.6 -25.8 1.2 -32.0 102 103 A F - 0 0 0 -2,-0.3 -47,-2.2 -11,-0.1 2,-0.4 -0.957 16.6-122.9-150.7 169.0 -25.1 4.8 -33.0 103 104 A Y E -DE 54 90B 0 -13,-3.8 -13,-2.1 -2,-0.3 2,-0.5 -0.938 10.4-149.2-121.7 138.1 -22.4 7.0 -34.5 104 105 A L E -DE 53 89B 0 -51,-2.5 -51,-2.9 -2,-0.4 2,-0.5 -0.910 10.6-155.5-103.3 132.1 -20.7 10.1 -33.1 105 106 A V E +DE 52 88B 0 -17,-3.0 -18,-2.8 -2,-0.5 -17,-1.4 -0.925 24.0 161.0-107.9 127.5 -19.5 12.7 -35.6 106 107 A M E -D 51 0B 21 -55,-2.4 -55,-2.9 -2,-0.5 -20,-0.1 -0.915 47.0 -79.2-139.0 162.5 -16.6 15.0 -34.5 107 108 A P E -D 50 0B 38 0, 0.0 2,-0.3 0, 0.0 -57,-0.2 -0.409 56.8-109.9 -61.9 141.7 -13.9 17.3 -36.0 108 109 A F - 0 0 48 -59,-1.2 2,-0.5 -67,-0.1 -59,-0.1 -0.584 28.3-161.9 -80.8 131.0 -11.0 15.2 -37.2 109 110 A M - 0 0 30 -2,-0.3 49,-0.2 1,-0.1 48,-0.1 -0.958 11.3-148.7-116.1 120.0 -7.7 15.4 -35.4 110 111 A Q - 0 0 117 -2,-0.5 48,-0.2 46,-0.1 2,-0.2 0.868 68.2 -30.4 -54.2 -46.5 -4.6 14.2 -37.2 111 112 A T E -G 157 0C 35 46,-3.0 46,-2.6 5,-0.0 2,-0.3 -0.707 59.9-111.6-152.3-161.1 -2.7 13.0 -34.2 112 113 A D E >> -G 156 0C 25 44,-0.3 4,-0.9 -2,-0.2 3,-0.7 -0.934 32.5-102.2-145.3 169.6 -2.1 13.4 -30.5 113 114 A L H 3> S+ 0 0 0 42,-2.4 4,-0.5 39,-0.9 3,-0.4 0.828 115.0 62.2 -65.5 -33.4 0.7 14.4 -28.2 114 115 A Q H 34 S+ 0 0 78 38,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.843 107.0 46.5 -60.6 -32.4 1.7 10.9 -27.2 115 116 A K H <4 S+ 0 0 154 -3,-0.7 -1,-0.2 37,-0.2 -2,-0.2 0.683 118.1 39.1 -86.0 -20.2 2.6 10.2 -30.9 116 117 A I H >< S+ 0 0 43 -4,-0.9 3,-0.6 -3,-0.4 -1,-0.2 0.218 91.8 119.7-112.7 14.5 4.6 13.4 -31.5 117 118 A M T 3< + 0 0 32 -4,-0.5 89,-0.1 -3,-0.3 -3,-0.0 -0.379 55.7 41.1 -78.0 155.2 6.3 13.4 -28.0 118 119 A G T 3 S+ 0 0 32 87,-0.2 2,-2.1 -2,-0.1 -1,-0.2 0.001 73.2 118.3 103.8 -26.9 10.0 13.2 -27.5 119 120 A M S < S- 0 0 82 -3,-0.6 2,-2.8 1,-0.1 -1,-0.1 -0.272 86.6-102.0 -80.5 54.6 11.1 15.5 -30.3 120 121 A E - 0 0 150 -2,-2.1 -1,-0.1 1,-0.1 89,-0.1 -0.295 46.4-146.2 71.9 -64.7 12.9 18.2 -28.3 121 122 A F - 0 0 16 -2,-2.8 -1,-0.1 87,-0.1 2,-0.1 0.853 8.1-120.9 65.8 112.4 10.1 20.9 -28.3 122 123 A S > - 0 0 70 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.426 25.5-115.7 -70.8 157.4 10.9 24.6 -28.4 123 124 A E H > S+ 0 0 49 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.806 116.0 59.0 -66.6 -28.7 9.5 26.6 -25.5 124 125 A E H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 107.1 46.5 -66.3 -38.2 7.3 28.6 -27.9 125 126 A K H > S+ 0 0 47 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 113.6 48.7 -67.2 -47.4 5.7 25.3 -29.0 126 127 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.914 109.9 52.1 -55.8 -47.0 5.3 24.3 -25.3 127 128 A Q H X S+ 0 0 18 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.914 113.4 45.1 -56.6 -43.9 3.8 27.7 -24.5 128 129 A Y H X S+ 0 0 74 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.934 116.7 42.2 -69.0 -48.6 1.3 27.4 -27.3 129 130 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 3,-0.2 0.952 116.4 47.0 -64.3 -49.4 0.3 23.8 -26.6 130 131 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.872 107.7 57.3 -64.5 -35.8 0.1 24.1 -22.8 131 132 A Y H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.4 -1,-0.2 0.906 108.3 47.2 -60.1 -41.3 -1.9 27.4 -23.1 132 133 A Q H X S+ 0 0 4 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.872 110.1 53.5 -66.9 -39.3 -4.5 25.5 -25.1 133 134 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.955 109.2 48.0 -57.0 -53.1 -4.5 22.7 -22.6 134 135 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.883 109.2 53.2 -59.2 -40.4 -5.2 25.1 -19.7 135 136 A K H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.920 111.0 46.0 -62.5 -45.7 -8.0 26.8 -21.6 136 137 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.892 113.8 49.6 -62.1 -40.5 -9.8 23.6 -22.3 137 138 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.893 107.5 53.7 -67.0 -39.4 -9.3 22.5 -18.7 138 139 A K H X S+ 0 0 35 -4,-2.9 4,-2.1 -5,-0.2 172,-0.2 0.917 110.8 48.9 -58.9 -41.3 -10.6 25.9 -17.4 139 140 A Y H X S+ 0 0 16 -4,-1.9 4,-0.8 2,-0.2 171,-0.7 0.963 113.7 41.4 -65.5 -55.4 -13.7 25.3 -19.5 140 141 A I H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.0 0.920 114.5 53.3 -62.4 -42.1 -14.5 21.7 -18.4 141 142 A H H ><5S+ 0 0 13 -4,-2.5 3,-2.8 1,-0.3 -1,-0.2 0.923 103.9 55.9 -53.0 -46.3 -13.7 22.6 -14.8 142 143 A S H 3<5S+ 0 0 44 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 105.6 53.0 -64.0 -18.8 -16.1 25.5 -14.9 143 144 A A T <<5S- 0 0 2 -3,-1.0 171,-2.4 -4,-0.8 -1,-0.3 0.314 125.9-105.8 -92.7 5.1 -18.8 23.0 -16.0 144 145 A G T < 5S+ 0 0 58 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.750 79.7 131.1 76.1 25.3 -17.9 20.9 -12.9 145 146 A V < - 0 0 8 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.947 36.6-169.1-117.4 123.3 -16.1 18.3 -15.0 146 147 A V - 0 0 29 -2,-0.5 23,-0.6 1,-0.1 24,-0.1 -0.883 16.7-148.3-107.5 142.6 -12.6 17.0 -14.1 147 148 A H - 0 0 0 -2,-0.4 23,-0.6 45,-0.2 -1,-0.1 0.948 18.6-176.7 -72.7 -50.1 -10.6 14.8 -16.5 148 149 A R S S+ 0 0 87 44,-0.1 32,-0.2 1,-0.1 -1,-0.1 0.071 74.4 54.4 76.2 -24.9 -8.8 12.7 -13.9 149 150 A D + 0 0 32 18,-0.2 -1,-0.1 -2,-0.1 2,-0.1 -0.108 69.3 160.5-132.8 38.1 -6.8 10.9 -16.6 150 151 A L + 0 0 1 28,-0.1 17,-0.1 3,-0.1 28,-0.0 -0.386 13.1 147.4 -65.8 136.4 -5.2 13.6 -18.6 151 152 A K > - 0 0 71 -2,-0.1 3,-2.6 1,-0.1 4,-0.3 -0.967 63.0 -94.6-162.3 161.9 -2.2 12.3 -20.6 152 153 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -38,-1.1 0.844 123.4 61.5 -54.8 -34.3 -0.5 13.0 -24.0 153 154 A G G 3 S+ 0 0 24 1,-0.3 -3,-0.1 -40,-0.2 3,-0.0 0.665 104.0 51.7 -64.2 -15.6 -2.6 10.2 -25.5 154 155 A N G < S+ 0 0 8 -3,-2.6 12,-3.1 1,-0.1 2,-0.8 0.376 91.1 84.0-101.4 -2.1 -5.6 12.3 -24.6 155 156 A L E < - H 0 165C 0 -3,-1.6 -42,-2.4 -4,-0.3 10,-0.2 -0.867 67.3-159.5-109.4 101.1 -4.4 15.6 -26.2 156 157 A A E -GH 112 164C 2 8,-2.2 8,-2.2 -2,-0.8 2,-0.3 -0.526 12.5-179.6 -80.6 142.5 -5.3 15.6 -29.8 157 158 A V E -GH 111 163C 1 -46,-2.6 -46,-3.0 6,-0.2 6,-0.2 -0.970 16.7-148.8-138.1 154.4 -3.5 17.8 -32.3 158 159 A N > - 0 0 32 4,-1.3 3,-1.3 -2,-0.3 -49,-0.1 -0.373 48.6 -82.1-103.6-166.1 -3.6 18.7 -36.0 159 160 A E T 3 S+ 0 0 166 1,-0.3 -50,-0.0 -2,-0.1 -2,-0.0 0.739 129.3 55.8 -74.4 -20.8 -0.7 19.7 -38.2 160 161 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.298 117.7-112.0 -89.8 9.2 -1.0 23.4 -37.1 161 162 A C < + 0 0 28 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.766 62.2 158.0 60.4 25.9 -0.6 22.2 -33.4 162 163 A E - 0 0 86 -30,-0.0 -4,-1.3 2,-0.0 2,-0.4 -0.652 30.3-145.8 -71.3 139.4 -4.2 23.2 -32.7 163 164 A L E + H 0 157C 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.915 25.2 178.8-123.7 135.1 -5.2 21.2 -29.6 164 165 A K E - H 0 156C 42 -8,-2.2 -8,-2.2 -2,-0.4 2,-0.3 -0.999 28.7-125.4-130.0 135.0 -8.4 19.6 -28.3 165 166 A I E -fH 83 155C 0 -83,-2.8 -81,-2.1 -2,-0.4 2,-0.3 -0.591 29.3-160.5 -77.3 135.7 -8.7 17.6 -25.1 166 167 A L + 0 0 43 -12,-3.1 -12,-0.1 -2,-0.3 -1,-0.0 -0.734 57.2 18.4-111.3 160.9 -10.2 14.0 -25.4 167 168 A D S > S+ 0 0 84 -2,-0.3 3,-0.5 1,-0.1 -18,-0.2 0.800 71.7 161.8 55.5 39.7 -11.8 11.5 -23.0 168 169 A F T 3 + 0 0 14 1,-0.2 -21,-0.2 -3,-0.2 -1,-0.1 -0.460 58.0 39.7 -81.9 162.6 -12.7 13.9 -20.3 169 170 A G T 3 0 0 9 -23,-0.6 -1,-0.2 1,-0.2 -22,-0.1 0.808 360.0 360.0 62.2 29.1 -15.4 12.7 -17.8 170 171 A L < 0 0 116 -23,-0.6 -1,-0.2 -3,-0.5 -24,-0.1 -0.477 360.0 360.0 -70.6 360.0 -13.9 9.2 -17.7 171 ! 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 0.0 172 182 A Y 0 0 291 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.2 -2.9 -5.2 -12.0 173 183 A V - 0 0 106 44,-0.1 2,-0.1 2,-0.0 3,-0.1 -0.031 360.0-175.5 173.3 74.8 -0.8 -2.1 -12.7 174 184 A V - 0 0 98 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.473 45.5 -93.2 -69.5 150.1 -1.7 0.3 -15.5 175 185 A T + 0 0 92 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.477 43.4 177.3 -65.8 135.6 0.8 3.1 -16.0 176 186 A R > + 0 0 73 39,-0.2 3,-1.6 -2,-0.2 -1,-0.1 -0.102 27.6 137.1-134.1 35.0 -0.1 6.2 -14.0 177 187 A W T 3 S+ 0 0 61 1,-0.3 36,-0.3 38,-0.0 -1,-0.1 0.740 78.1 40.5 -54.2 -31.5 2.8 8.5 -14.8 178 188 A Y T 3 S+ 0 0 16 -3,-0.1 -1,-0.3 34,-0.1 2,-0.2 0.356 90.6 113.4-104.1 3.0 0.6 11.6 -15.2 179 189 A R S < S- 0 0 53 -3,-1.6 -30,-0.1 1,-0.1 -3,-0.1 -0.518 73.7-104.6 -85.3 143.5 -1.7 10.9 -12.3 180 190 A A >> - 0 0 2 -32,-0.2 3,-2.0 -2,-0.2 4,-1.9 -0.459 23.8-127.1 -66.0 134.1 -1.9 13.2 -9.2 181 191 A P H 3> S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.851 109.5 57.9 -45.9 -47.3 -0.2 11.7 -6.1 182 192 A E H 34 S+ 0 0 3 1,-0.2 6,-0.5 2,-0.2 4,-0.4 0.724 109.2 46.8 -63.5 -19.9 -3.4 12.3 -4.0 183 193 A V H <4 S+ 0 0 32 -3,-2.0 -1,-0.2 2,-0.2 7,-0.0 0.895 113.8 45.0 -84.5 -44.9 -5.2 10.1 -6.5 184 194 A I H < S+ 0 0 17 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.849 130.2 26.1 -65.4 -35.3 -2.6 7.3 -6.6 185 195 A L S < S- 0 0 22 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.478 88.9-147.0-107.6 -7.0 -2.2 7.3 -2.8 186 196 A S + 0 0 83 -5,-0.4 -3,-0.2 -4,-0.4 -4,-0.1 0.814 47.6 146.1 40.3 41.6 -5.7 8.7 -1.9 187 197 A W + 0 0 2 -6,-0.2 54,-2.5 1,-0.1 55,-0.8 0.444 67.8 5.2 -92.2 -2.5 -4.0 10.3 1.1 188 198 A M S S- 0 0 13 -6,-0.5 2,-0.2 52,-0.2 52,-0.1 -0.930 96.1 -78.4-161.8 169.7 -6.2 13.4 1.0 189 199 A H - 0 0 164 -2,-0.3 2,-0.2 -3,-0.1 94,-0.1 -0.545 47.9-132.2 -79.1 140.1 -9.3 14.4 -1.0 190 200 A Y - 0 0 96 -2,-0.2 2,-0.2 -8,-0.1 -1,-0.1 -0.609 19.0-168.8 -95.1 148.7 -8.7 15.7 -4.5 191 201 A N > - 0 0 52 -2,-0.2 3,-1.3 92,-0.1 4,-0.1 -0.414 51.3 -71.0-113.8-163.1 -10.0 18.8 -6.2 192 202 A Q T > S+ 0 0 77 1,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.669 116.5 80.7 -68.6 -14.0 -10.0 20.0 -9.9 193 203 A T T 3> + 0 0 7 1,-0.3 4,-1.4 90,-0.2 -1,-0.3 0.409 64.7 89.8 -78.2 5.5 -6.2 20.6 -9.7 194 204 A V H <> S+ 0 0 4 -3,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.851 87.3 52.0 -62.5 -34.4 -5.5 16.9 -10.2 195 205 A D H <> S+ 0 0 0 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.804 101.9 59.6 -71.7 -28.8 -5.5 17.8 -13.9 196 206 A I H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.875 100.2 55.1 -69.2 -36.6 -3.0 20.6 -13.3 197 207 A W H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.919 107.2 52.0 -56.5 -43.5 -0.5 18.0 -11.9 198 208 A S H X S+ 0 0 2 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.932 106.5 51.7 -61.7 -47.4 -1.0 16.1 -15.2 199 209 A V H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.901 108.1 53.6 -54.2 -44.2 -0.2 19.3 -17.2 200 210 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 109.3 46.9 -56.0 -47.5 2.9 19.7 -15.2 201 211 A C H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 11,-0.4 0.875 115.3 46.8 -62.7 -36.6 4.1 16.2 -16.0 202 212 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 112.8 47.9 -74.8 -41.3 3.3 16.7 -19.6 203 213 A M H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.925 111.1 51.3 -62.4 -46.8 5.0 20.1 -19.8 204 214 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.901 108.9 51.6 -56.2 -43.5 8.1 18.7 -18.1 205 215 A E H X S+ 0 0 12 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.871 107.7 52.1 -64.1 -38.0 8.2 15.8 -20.6 206 216 A M H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 110.7 49.7 -62.5 -38.2 8.0 18.3 -23.5 207 217 A L H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.888 126.2 21.4 -68.1 -41.1 11.0 20.2 -22.0 208 218 A T H < S- 0 0 59 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.671 94.3-123.9-106.9 -23.2 13.3 17.3 -21.4 209 219 A G S < S+ 0 0 25 -4,-2.4 2,-0.4 -5,-0.3 -4,-0.1 0.415 79.4 99.0 90.8 -0.2 12.1 14.6 -23.8 210 220 A K S S- 0 0 149 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.943 82.8-103.7-124.9 141.2 11.7 12.1 -20.9 211 221 A T - 0 0 35 -2,-0.4 3,-0.1 1,-0.1 -9,-0.1 -0.377 30.4-146.2 -55.7 133.5 8.7 11.0 -18.8 212 222 A L S S+ 0 0 33 -11,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.965 75.0 26.3 -70.1 -54.9 9.0 12.7 -15.5 213 223 A F + 0 0 0 -36,-0.3 -1,-0.2 -12,-0.0 2,-0.2 -0.945 65.9 140.8-121.8 127.3 7.5 10.1 -13.2 214 224 A K + 0 0 93 -2,-0.5 10,-0.2 6,-0.2 11,-0.2 -0.472 10.1 157.2-131.6-148.7 7.4 6.3 -13.5 215 225 A G - 0 0 27 -2,-0.2 -39,-0.2 1,-0.1 6,-0.1 -0.172 49.2-110.5 128.5 139.3 7.9 3.3 -11.2 216 226 A K S S+ 0 0 169 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.872 101.1 12.1 -62.7 -38.8 6.9 -0.4 -10.9 217 227 A D S >> S- 0 0 63 -3,-0.1 4,-2.4 1,-0.0 3,-0.7 -0.899 87.9 -94.2-139.4 169.1 4.5 0.3 -8.1 218 228 A Y H 3> S+ 0 0 132 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.786 121.9 53.7 -55.4 -31.5 2.8 3.2 -6.3 219 229 A L H 3> S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.882 109.6 45.9 -72.0 -39.7 5.6 3.4 -3.7 220 230 A D H <> S+ 0 0 56 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.859 112.4 51.9 -70.3 -35.3 8.4 3.6 -6.3 221 231 A Q H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.925 109.0 50.6 -63.3 -44.0 6.4 6.3 -8.1 222 232 A L H X S+ 0 0 7 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.898 108.5 52.1 -59.1 -41.5 6.0 8.2 -4.9 223 233 A T H X S+ 0 0 52 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.862 111.2 47.0 -65.0 -36.4 9.8 7.9 -4.3 224 234 A Q H X S+ 0 0 48 -4,-1.9 4,-0.6 -10,-0.2 -2,-0.2 0.889 111.6 51.2 -70.4 -38.9 10.3 9.4 -7.8 225 235 A I H >X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-1.1 0.906 108.1 51.9 -63.3 -41.3 7.8 12.1 -7.2 226 236 A L H 3X S+ 0 0 15 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.768 97.3 65.5 -71.7 -26.3 9.5 13.1 -3.9 227 237 A K H 3< S+ 0 0 144 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.783 114.3 34.2 -58.7 -26.8 12.9 13.4 -5.6 228 238 A V H << S+ 0 0 18 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.862 126.3 34.7 -98.5 -47.1 11.3 16.3 -7.5 229 239 A T H < S- 0 0 3 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.689 103.2-135.2 -80.9 -19.8 8.9 17.9 -5.0 230 240 A G < - 0 0 2 -4,-1.8 27,-0.2 -5,-0.3 -3,-0.1 0.125 43.4 -50.0 73.8 158.5 11.1 17.2 -2.0 231 241 A V - 0 0 24 24,-2.6 26,-0.2 22,-0.1 2,-0.1 -0.493 69.5-118.5 -66.0 127.2 9.7 15.9 1.2 232 242 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.350 26.7-120.9 -72.3 148.1 6.7 18.1 2.2 233 243 A G >> - 0 0 50 -2,-0.1 4,-2.4 1,-0.0 3,-1.1 -0.145 35.2 -82.4 -85.6 178.9 6.6 20.0 5.4 234 244 A T H 3> S+ 0 0 110 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.808 122.7 61.9 -50.7 -41.3 4.3 20.1 8.5 235 245 A E H 3> S+ 0 0 125 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.907 113.7 35.9 -53.6 -44.5 1.7 22.3 6.9 236 246 A F H X> S+ 0 0 6 -3,-1.1 3,-1.3 1,-0.2 4,-0.5 0.916 111.4 59.9 -74.7 -45.9 1.1 19.6 4.2 237 247 A V H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.843 100.1 58.2 -51.6 -37.0 1.6 16.6 6.5 238 248 A Q H 3< S+ 0 0 117 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.802 96.8 60.6 -67.3 -29.5 -1.3 17.8 8.6 239 249 A K H << S+ 0 0 72 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.624 80.4 112.7 -73.7 -13.0 -3.8 17.8 5.7 240 250 A L << - 0 0 8 -3,-1.1 -52,-0.2 -4,-0.5 -53,-0.1 -0.376 47.4-169.6 -66.1 134.6 -3.3 14.1 5.2 241 251 A N S S+ 0 0 90 -54,-2.5 2,-0.6 1,-0.1 -53,-0.2 0.254 72.2 80.8-103.8 7.5 -6.2 11.8 6.0 242 252 A D > - 0 0 56 -55,-0.8 4,-2.7 1,-0.1 3,-0.3 -0.893 59.6-172.4-117.2 98.3 -4.1 8.7 5.8 243 253 A K H > S+ 0 0 165 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.837 85.1 54.7 -64.2 -33.8 -2.2 8.3 9.0 244 254 A A H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 112.0 43.8 -65.1 -39.5 -0.1 5.4 7.7 245 255 A A H > S+ 0 0 19 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.899 112.4 53.0 -70.7 -41.8 1.0 7.5 4.8 246 256 A K H X S+ 0 0 45 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.931 110.2 48.1 -56.5 -48.6 1.6 10.5 7.1 247 257 A S H X S+ 0 0 61 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.964 110.6 51.1 -55.1 -55.2 3.7 8.3 9.3 248 258 A Y H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.2 48.4 -51.6 -39.4 5.7 7.1 6.3 249 259 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.860 110.4 49.8 -73.0 -34.9 6.3 10.6 5.1 250 260 A Q H 3< S+ 0 0 102 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.667 107.8 56.7 -75.1 -16.2 7.5 11.8 8.6 251 261 A S T 3< S+ 0 0 92 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.254 88.8 101.6-100.2 8.2 9.8 8.9 8.8 252 262 A L S < S- 0 0 37 -3,-1.0 2,-0.6 -5,-0.1 -3,-0.0 -0.587 93.2 -89.7 -89.8 152.7 11.7 9.7 5.5 253 263 A P - 0 0 103 0, 0.0 2,-2.3 0, 0.0 -22,-0.1 -0.543 51.9-126.3 -53.0 109.5 15.1 11.3 5.1 254 264 A Q - 0 0 100 -2,-0.6 -4,-0.0 -4,-0.1 -5,-0.0 -0.415 35.4-174.9 -70.9 77.8 13.5 14.8 5.0 255 265 A T - 0 0 87 -2,-2.3 -24,-2.6 1,-0.1 -1,-0.0 -0.671 25.1-120.5 -81.2 113.3 15.1 15.9 1.7 256 266 A P - 0 0 107 0, 0.0 -25,-0.1 0, 0.0 -26,-0.1 0.044 34.5 -94.0 -51.3 162.4 14.3 19.6 1.1 257 267 A R - 0 0 56 -27,-0.2 -27,-0.2 -26,-0.2 -26,-0.1 0.920 51.1 -79.4 -54.7 -94.1 12.4 20.6 -2.1 258 268 A K - 0 0 88 -29,-0.2 -29,-0.1 -28,-0.1 -28,-0.1 0.678 3.5-138.3-137.8 -86.6 13.9 21.6 -5.4 259 269 A D >> - 0 0 77 3,-0.1 3,-1.7 2,-0.1 4,-1.5 0.895 28.2-159.9 60.9 82.0 15.5 24.5 -7.3 260 270 A F H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 7,-0.2 0.629 89.0 70.1 -63.0 -14.7 13.6 23.5 -10.4 261 271 A T H 34 S+ 0 0 86 2,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.823 103.9 40.7 -68.7 -31.4 16.3 25.6 -12.1 262 272 A Q H <4 S+ 0 0 151 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.811 114.8 49.8 -85.5 -32.5 18.6 22.7 -11.2 263 273 A L H < S+ 0 0 67 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.831 124.4 31.4 -74.0 -33.1 16.2 19.9 -12.0 264 274 A F S >< S+ 0 0 9 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.3 -0.665 75.0 174.4-124.2 74.5 15.4 21.5 -15.4 265 275 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.433 78.8 46.0 -65.7 -2.5 18.8 23.2 -16.2 266 276 A R T 3 S+ 0 0 205 2,-0.1 -5,-0.1 -3,-0.0 -4,-0.1 0.522 88.4 105.8-113.9 -12.7 17.6 24.2 -19.7 267 277 A A S < S- 0 0 20 -3,-1.5 -3,-0.1 -7,-0.2 -59,-0.0 -0.330 75.5-112.0 -67.9 147.1 14.2 25.6 -18.8 268 278 A S > - 0 0 27 1,-0.1 4,-2.8 -2,-0.0 5,-0.3 -0.438 31.3-109.2 -69.7 154.6 13.7 29.3 -18.8 269 279 A P H > S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.894 120.8 50.9 -52.1 -43.1 13.1 30.9 -15.3 270 280 A Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.901 111.5 47.1 -64.4 -41.1 9.4 31.5 -16.2 271 281 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 113.4 47.4 -65.6 -44.7 8.9 27.9 -17.4 272 282 A A H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.891 111.9 52.3 -62.1 -38.9 10.6 26.5 -14.3 273 283 A D H X S+ 0 0 62 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.920 110.0 46.7 -64.0 -46.2 8.5 28.8 -12.1 274 284 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.4 0.909 112.0 51.7 -61.7 -43.4 5.3 27.6 -13.7 275 285 A L H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.8 0.910 105.1 56.6 -57.8 -44.9 6.4 24.0 -13.3 276 286 A E H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.0 46.5 -54.5 -36.4 7.1 24.6 -9.7 277 287 A K H 3< S+ 0 0 88 -4,-1.2 10,-1.8 -3,-0.4 3,-0.3 0.596 115.1 43.9 -90.0 -14.4 3.5 25.8 -9.1 278 288 A M H << S+ 0 0 0 -4,-1.0 2,-1.6 -3,-0.8 -2,-0.2 0.789 105.8 60.4 -95.5 -36.5 1.8 22.9 -11.0 279 289 A L S < S+ 0 0 0 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.338 78.8 137.2 -85.2 55.2 4.0 20.2 -9.5 280 290 A E - 0 0 42 -2,-1.6 6,-0.2 -3,-0.3 -83,-0.1 -0.913 47.4-155.8-108.8 124.1 2.8 21.1 -6.0 281 291 A L S S+ 0 0 4 -2,-0.5 2,-0.7 -52,-0.1 -1,-0.1 0.882 76.8 84.4 -63.4 -41.4 1.8 18.3 -3.6 282 292 A D >> - 0 0 0 1,-0.2 4,-2.1 2,-0.1 3,-1.4 -0.534 69.2-157.0 -69.2 108.6 -0.5 20.5 -1.6 283 293 A V T 34 S+ 0 0 6 -2,-0.7 -90,-0.2 1,-0.3 -1,-0.2 0.581 91.8 55.4 -66.9 -9.9 -3.8 20.4 -3.5 284 294 A D T 34 S+ 0 0 109 1,-0.1 -1,-0.3 -93,-0.0 -2,-0.1 0.652 112.9 39.7 -92.6 -20.4 -4.8 23.7 -1.9 285 295 A K T <4 S+ 0 0 92 -3,-1.4 -2,-0.2 2,-0.1 3,-0.1 0.676 90.9 106.3 -98.4 -23.2 -1.7 25.5 -3.1 286 296 A R S < S- 0 0 5 -4,-2.1 -8,-0.2 -6,-0.2 -93,-0.1 -0.314 81.4 -99.0 -60.2 138.3 -1.5 23.9 -6.6 287 297 A L - 0 0 25 -10,-1.8 2,-0.1 1,-0.1 -91,-0.1 -0.240 28.8-136.1 -59.7 139.4 -2.5 26.3 -9.4 288 298 A T > - 0 0 56 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.440 30.8-105.1 -78.9 167.9 -6.0 26.1 -10.9 289 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -151,-0.1 0.944 121.8 51.8 -58.2 -48.5 -6.4 26.3 -14.6 290 300 A A H > S+ 0 0 40 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.911 112.4 45.3 -57.4 -44.6 -7.6 29.9 -14.4 291 301 A Q H >4 S+ 0 0 99 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.871 110.3 52.6 -68.3 -38.8 -4.6 30.9 -12.3 292 302 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.823 100.6 63.6 -67.7 -29.3 -2.0 29.1 -14.5 293 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 98.1 55.9 -63.4 -26.8 -3.5 30.9 -17.5 294 304 A T T << S+ 0 0 87 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.549 82.6 118.3 -81.5 -8.4 -2.3 34.2 -15.9 295 305 A H S X S- 0 0 12 -3,-1.3 3,-2.3 -4,-0.3 4,-0.2 -0.316 74.8-121.9 -66.7 140.8 1.3 33.1 -15.7 296 306 A P G > S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.716 104.1 78.9 -54.3 -26.2 4.0 35.0 -17.6 297 307 A F G 3 S+ 0 0 0 -27,-0.3 -166,-0.1 1,-0.3 -26,-0.1 0.721 98.7 43.4 -54.8 -21.5 5.0 31.8 -19.5 298 308 A F G X> S+ 0 0 0 -3,-2.3 3,-1.9 -6,-0.2 4,-1.7 0.352 77.8 114.5-107.7 6.5 1.9 32.4 -21.7 299 309 A E T <4 S+ 0 0 142 -3,-1.9 3,-0.2 1,-0.3 -1,-0.1 0.816 73.9 54.0 -47.5 -44.3 2.3 36.2 -22.2 300 310 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 121.6 29.3 -65.1 -23.7 3.0 35.9 -26.0 301 311 A F T <4 S+ 0 0 61 -3,-1.9 -2,-0.2 -174,-0.1 2,-0.1 0.521 86.3 128.5-112.0 -9.2 -0.2 33.9 -26.6 302 312 A R < + 0 0 101 -4,-1.7 3,-0.1 -3,-0.2 -8,-0.0 -0.271 21.5 167.0 -67.7 128.8 -2.6 35.1 -23.9 303 313 A D >> - 0 0 61 1,-0.1 3,-2.3 -2,-0.1 4,-0.7 -0.818 19.7-163.3-137.2 94.1 -6.1 36.2 -24.9 304 314 A P G >4 S+ 0 0 81 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.782 90.6 63.3 -45.4 -31.3 -8.4 36.6 -21.9 305 315 A E G 34 S+ 0 0 164 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.808 99.3 51.6 -68.7 -31.3 -11.3 36.6 -24.3 306 316 A E G <4 S+ 0 0 75 -3,-2.3 2,-1.6 1,-0.2 -1,-0.3 0.612 88.9 87.3 -77.6 -14.3 -10.5 33.0 -25.5 307 317 A E << + 0 0 9 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.0 -0.410 67.2 165.6 -86.9 60.9 -10.4 31.9 -21.8 308 318 A T - 0 0 63 -2,-1.6 2,-0.3 -3,-0.1 -166,-0.1 -0.170 27.9-142.3 -76.2 165.9 -14.2 31.1 -21.6 309 319 A E - 0 0 128 -167,-0.1 -170,-0.1 -168,-0.1 2,-0.1 -0.892 32.2 -94.8-120.3 155.6 -16.2 29.2 -19.1 310 320 A A - 0 0 12 -171,-0.7 -232,-0.1 -2,-0.3 -230,-0.0 -0.445 27.5-144.3 -60.9 141.3 -19.2 27.0 -19.6 311 321 A Q S S+ 0 0 167 1,-0.2 -1,-0.1 -2,-0.1 -168,-0.0 0.839 85.2 33.4 -77.2 -33.7 -22.4 29.0 -19.1 312 322 A Q S S- 0 0 123 -235,-0.2 -1,-0.2 -3,-0.0 2,-0.1 -0.945 88.4-113.6-124.4 142.7 -24.1 26.0 -17.5 313 323 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -169,-0.2 -0.418 45.3 -95.2 -66.6 146.8 -22.7 23.2 -15.3 314 324 A F - 0 0 30 -171,-2.4 2,-0.5 -174,-0.2 -240,-0.1 -0.550 51.2-170.0 -62.4 121.9 -22.8 19.7 -16.9 315 325 A D + 0 0 132 -2,-0.4 2,-0.8 -3,-0.1 3,-0.1 -0.807 18.7 168.6-128.9 90.0 -26.1 18.5 -15.4 316 326 A D > - 0 0 23 -2,-0.5 3,-1.4 1,-0.1 4,-0.2 -0.867 10.4-174.7-101.2 101.9 -26.9 14.8 -15.9 317 327 A S T 3 S+ 0 0 86 -2,-0.8 3,-0.3 1,-0.3 4,-0.2 0.657 87.2 52.9 -66.5 -16.5 -29.9 14.0 -13.6 318 328 A L T 3 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 0.370 74.7 105.6-101.7 2.9 -29.5 10.3 -14.6 319 329 A E S < S+ 0 0 87 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.823 93.8 30.0 -48.1 -37.8 -25.8 10.2 -13.6 320 330 A H S S+ 0 0 137 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.675 96.2 118.0 -97.7 -24.5 -26.8 8.2 -10.5 321 331 A E - 0 0 70 -4,-0.2 2,-0.6 1,-0.1 -3,-0.1 0.033 55.0-144.1 -49.6 149.7 -29.9 6.5 -11.8 322 332 A K + 0 0 162 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.934 36.0 161.1-117.8 105.3 -30.1 2.7 -12.1 323 333 A L - 0 0 25 -2,-0.6 2,-0.3 -5,-0.1 -257,-0.1 -0.696 40.9 -96.0-122.5 171.6 -32.1 1.8 -15.2 324 334 A T >> - 0 0 64 -2,-0.2 4,-2.8 1,-0.1 3,-0.5 -0.635 35.7-116.2 -86.1 147.1 -32.8 -1.1 -17.5 325 335 A V H 3> S+ 0 0 36 1,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.872 119.1 54.4 -48.1 -40.8 -30.8 -1.4 -20.8 326 336 A D H 3> S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.908 108.4 46.7 -62.2 -43.4 -34.1 -0.9 -22.5 327 337 A E H <> S+ 0 0 80 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.916 110.8 53.2 -65.1 -42.4 -34.9 2.3 -20.7 328 338 A W H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.931 106.7 51.7 -55.3 -48.6 -31.3 3.5 -21.4 329 339 A K H X S+ 0 0 34 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.877 105.3 57.8 -56.2 -37.6 -31.9 2.9 -25.1 330 340 A Q H X S+ 0 0 81 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.920 111.1 40.9 -58.6 -45.0 -35.1 4.9 -24.8 331 341 A H H X S+ 0 0 48 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 115.7 48.1 -71.8 -46.0 -33.1 8.0 -23.5 332 342 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.905 112.0 53.2 -58.5 -39.9 -30.2 7.6 -25.9 333 343 A Y H X S+ 0 0 49 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.918 110.0 45.9 -62.6 -46.4 -32.7 7.2 -28.7 334 344 A K H X S+ 0 0 99 -4,-2.0 4,-4.2 1,-0.2 5,-0.2 0.910 109.2 54.9 -64.5 -43.3 -34.5 10.4 -27.8 335 345 A E H X S+ 0 0 42 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.884 109.3 48.5 -57.8 -38.9 -31.3 12.4 -27.4 336 346 A I H < S+ 0 0 17 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.937 115.3 43.7 -67.6 -47.4 -30.3 11.3 -30.9 337 347 A V H < S+ 0 0 98 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.960 114.7 50.3 -55.7 -53.1 -33.8 12.3 -32.2 338 348 A N H < S+ 0 0 117 -4,-4.2 -1,-0.2 -5,-0.1 -2,-0.2 0.640 91.6 102.3 -65.7 -15.8 -33.7 15.6 -30.2 339 349 A F < - 0 0 34 -4,-1.0 -3,-0.0 -3,-0.4 -251,-0.0 -0.303 51.5-168.8 -70.1 154.1 -30.2 16.5 -31.5 340 350 A S 0 0 98 1,-0.1 -2,-0.0 -2,-0.0 -3,-0.0 -0.950 360.0 360.0-148.9 125.4 -29.7 19.1 -34.2 341 351 A P 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -253,-0.1 0.761 360.0 360.0 -88.8 360.0 -26.6 20.0 -36.3