==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC INHIBITOR 16-MAY-02 1LRZ . COMPND 2 MOLECULE: FACTOR ESSENTIAL FOR EXPRESSION OF METHICILLIN . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.BENSON,D.PRINCE,V.MUTCHLER,K.CURRY,A.HO,R.SARVER, . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 0 0 1 1 2 3 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 1 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 1 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 1 A M 0 0 101 0, 0.0 2,-0.4 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0 105.0 3.2 50.4 94.3 2 2 A K E -A 46 0A 150 44,-2.3 44,-2.0 45,-0.1 2,-0.3 -0.985 360.0-127.6-132.0 142.4 4.3 48.9 91.0 3 3 A F E +A 45 0A 23 -2,-0.4 2,-0.3 42,-0.2 42,-0.2 -0.687 50.0 143.7 -82.6 139.0 7.7 48.0 89.6 4 4 A T E -A 44 0A 48 40,-2.7 40,-2.2 -2,-0.3 2,-0.2 -0.964 52.1 -82.4-163.2 176.5 8.2 49.6 86.2 5 5 A N E -A 43 0A 85 -2,-0.3 2,-0.3 38,-0.2 38,-0.3 -0.643 44.3-144.7 -87.0 151.4 10.5 51.3 83.7 6 6 A L - 0 0 12 36,-2.4 36,-0.2 -2,-0.2 2,-0.1 -0.866 11.1-118.4-118.6 152.9 11.1 55.0 84.2 7 7 A T > - 0 0 76 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.479 34.6-109.9 -80.4 160.7 11.6 57.8 81.7 8 8 A A H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 119.2 53.4 -59.2 -38.4 15.0 59.6 81.9 9 9 A K H > S+ 0 0 183 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 110.6 44.5 -63.1 -48.4 13.2 62.7 83.2 10 10 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 114.5 51.1 -61.1 -44.3 11.5 60.8 86.1 11 11 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.954 112.1 44.5 -57.9 -55.3 14.7 59.0 86.9 12 12 A G H X S+ 0 0 9 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.880 112.2 51.8 -58.8 -43.1 16.8 62.1 87.1 13 13 A A H X S+ 0 0 67 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.913 113.3 44.7 -62.6 -44.1 14.3 64.1 89.1 14 14 A F H >< S+ 0 0 22 -4,-2.1 3,-1.1 -5,-0.2 4,-0.4 0.960 113.5 47.0 -67.5 -51.0 14.0 61.3 91.7 15 15 A T H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.860 106.7 59.0 -61.9 -33.2 17.7 60.5 92.1 16 16 A D H 3< S+ 0 0 52 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.747 106.7 49.8 -65.2 -23.2 18.6 64.2 92.4 17 17 A S T << S+ 0 0 86 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.467 98.7 83.7 -95.3 -1.1 16.2 64.5 95.5 18 18 A M S X S- 0 0 38 -3,-1.2 3,-0.5 -4,-0.4 294,-0.1 -0.781 74.9-120.4-111.2 148.1 17.6 61.5 97.4 19 19 A P T 3 S+ 0 0 84 0, 0.0 59,-0.2 0, 0.0 3,-0.1 -0.452 97.1 24.0 -75.8 155.4 20.5 60.9 99.7 20 20 A Y T 3 S+ 0 0 53 1,-0.2 2,-0.7 -2,-0.1 90,-0.2 0.915 77.3 148.0 54.3 46.3 23.1 58.3 98.7 21 21 A S < - 0 0 9 -3,-0.5 291,-0.2 -6,-0.1 -1,-0.2 -0.961 43.5-137.8-109.2 108.3 22.3 58.6 95.0 22 22 A H > - 0 0 4 -2,-0.7 3,-2.3 52,-0.4 55,-0.0 -0.227 19.4-110.2 -66.1 158.2 25.7 57.9 93.3 23 23 A F T 3 S+ 0 0 12 1,-0.3 6,-0.3 2,-0.1 3,-0.2 0.666 119.8 62.8 -65.1 -14.4 26.9 60.0 90.4 24 24 A T T 3 S+ 0 0 17 1,-0.2 2,-0.7 49,-0.1 -1,-0.3 0.567 88.2 71.8 -83.4 -11.3 26.4 56.8 88.3 25 25 A Q S < S+ 0 0 0 -3,-2.3 2,-0.3 49,-0.1 -1,-0.2 -0.435 84.7 102.7 -99.9 57.5 22.6 57.0 89.1 26 26 A T S > S- 0 0 10 -2,-0.7 4,-2.0 -3,-0.2 5,-0.1 -0.892 83.4-113.2-136.2 165.2 22.1 60.0 86.8 27 27 A V H > S+ 0 0 40 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.899 116.8 56.5 -65.8 -39.2 20.8 60.9 83.4 28 28 A G H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 108.5 45.7 -60.8 -38.8 24.3 61.8 82.3 29 29 A H H > S+ 0 0 7 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.884 110.8 54.9 -71.7 -35.0 25.6 58.4 83.2 30 30 A Y H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 111.2 43.8 -59.5 -48.8 22.6 56.8 81.4 31 31 A E H X S+ 0 0 72 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.853 111.8 55.0 -66.8 -34.7 23.4 58.7 78.2 32 32 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.965 109.8 44.6 -62.2 -53.7 27.1 57.9 78.6 33 33 A K H <>S+ 0 0 28 -4,-2.8 5,-2.7 1,-0.2 -2,-0.2 0.886 113.5 50.8 -59.2 -40.4 26.4 54.1 78.8 34 34 A L H ><5S+ 0 0 79 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.934 110.0 50.8 -62.2 -45.2 24.0 54.3 75.9 35 35 A A H 3<5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 106.9 53.6 -61.0 -36.5 26.6 56.2 73.9 36 36 A E T 3<5S- 0 0 72 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.386 123.2-107.1 -81.3 6.4 29.2 53.5 74.7 37 37 A G T < 5 + 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.618 66.7 149.4 83.1 12.7 26.8 50.9 73.4 38 38 A Y < - 0 0 86 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.534 56.3-113.5 -80.0 147.2 25.6 49.2 76.6 39 39 A E E - B 0 60A 67 21,-1.3 21,-2.5 -2,-0.2 2,-0.4 -0.707 47.8-166.3 -73.6 122.5 22.2 47.8 76.9 40 40 A T E - B 0 59A 20 -2,-0.6 2,-0.4 19,-0.2 19,-0.2 -0.962 14.9-170.5-125.6 133.7 20.8 50.2 79.5 41 41 A H E - B 0 58A 18 17,-3.1 17,-3.2 -2,-0.4 2,-0.6 -0.930 12.5-159.1-121.7 143.8 17.7 50.0 81.6 42 42 A L E + B 0 57A 7 -2,-0.4 -36,-2.4 15,-0.2 2,-0.3 -0.960 28.4 166.3-120.4 107.7 15.9 52.6 83.9 43 43 A V E +AB 5 56A 0 13,-2.5 13,-2.4 -2,-0.6 2,-0.3 -0.761 3.3 136.0-119.1 165.5 13.7 50.8 86.4 44 44 A G E -AB 4 55A 0 -40,-2.2 -40,-2.7 11,-0.3 2,-0.4 -0.974 44.8 -89.2-179.5-169.8 11.9 51.9 89.6 45 45 A I E -AB 3 54A 0 9,-1.9 8,-3.0 -2,-0.3 9,-0.9 -0.981 27.6-164.8-128.7 139.7 8.8 51.8 91.7 46 46 A K E -AB 2 52A 44 -44,-2.0 -44,-2.3 -2,-0.4 6,-0.2 -0.932 12.0-141.6-121.4 148.0 5.9 54.2 91.5 47 47 A N > - 0 0 36 4,-2.1 3,-1.6 -2,-0.4 -45,-0.1 -0.171 44.1 -75.5 -93.5-166.7 3.2 54.6 94.2 48 48 A N T 3 S+ 0 0 146 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.793 130.2 56.1 -61.7 -31.5 -0.5 55.3 93.7 49 49 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.168 119.5-107.9 -88.0 18.2 0.1 58.9 92.9 50 50 A N S < S+ 0 0 128 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.774 73.0 149.6 60.6 24.9 2.4 58.0 90.0 51 51 A E - 0 0 108 2,-0.0 -4,-2.1 1,-0.0 2,-0.3 -0.773 51.0-121.7 -91.7 131.2 5.2 59.2 92.3 52 52 A V E +B 46 0A 28 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.572 36.1 168.0 -71.5 128.1 8.7 57.6 91.9 53 53 A I E + 0 0 44 -8,-3.0 26,-0.6 1,-0.3 2,-0.3 0.250 66.1 19.2-122.8 9.3 9.7 56.0 95.2 54 54 A A E +BC 45 78A 0 -9,-0.9 -9,-1.9 24,-0.2 -1,-0.3 -0.891 64.4 176.2-173.0 145.1 12.7 53.9 94.0 55 55 A A E -BC 44 77A 0 22,-2.4 22,-3.2 -11,-0.3 2,-0.3 -0.993 7.3-177.6-154.6 158.5 15.0 53.9 90.9 56 56 A C E -B 43 0A 0 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.5 -0.909 21.0-142.1-163.2 132.5 18.0 52.2 89.4 57 57 A L E -B 42 0A 0 15,-0.4 2,-0.4 -2,-0.3 18,-0.3 -0.838 29.8-170.0 -92.1 127.9 20.0 52.5 86.3 58 58 A L E -B 41 0A 0 -17,-3.2 -17,-3.1 -2,-0.5 2,-0.4 -0.936 10.4-161.7-121.5 144.9 21.0 49.0 85.1 59 59 A T E -BD 40 71A 9 12,-1.9 12,-2.4 -2,-0.4 2,-0.4 -0.948 7.5-159.1-123.6 147.5 23.5 48.0 82.4 60 60 A A E -BD 39 70A 3 -21,-2.5 -21,-1.3 -2,-0.4 10,-0.2 -0.982 6.7-171.5-131.1 141.1 23.6 44.6 80.8 61 61 A V E - D 0 69A 52 8,-1.8 8,-3.2 -2,-0.4 2,-0.1 -0.988 33.0-105.1-130.3 137.6 26.4 42.9 78.9 62 62 A P E + D 0 68A 102 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.394 44.5 169.9 -65.3 134.3 26.2 39.6 76.9 63 63 A V E > + D 0 67A 17 4,-1.9 4,-1.4 1,-0.1 3,-0.1 -0.989 56.1 13.3-143.7 150.2 27.7 36.6 78.5 64 64 A M T 4 S- 0 0 55 -2,-0.3 2,-2.2 1,-0.2 3,-0.2 0.887 116.4 -76.4 49.9 46.8 27.7 32.9 77.8 65 65 A K T 4 S+ 0 0 203 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 -0.330 125.7 23.9 73.0 -62.9 26.2 33.3 74.3 66 66 A V T 4 S+ 0 0 83 -2,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.442 108.2 80.5-115.7 -2.5 22.6 34.1 74.9 67 67 A F E < -D 63 0A 46 -4,-1.4 -4,-1.9 -3,-0.2 2,-0.4 -0.335 63.1-133.4 -99.7-177.8 22.6 35.4 78.5 68 68 A K E -De 62 102A 45 33,-1.6 35,-3.2 -6,-0.3 36,-1.0 -0.997 8.1-137.5-142.0 144.2 23.3 38.8 80.1 69 69 A Y E -De 61 104A 41 -8,-3.2 -8,-1.8 -2,-0.4 2,-0.4 -0.888 27.6-157.4 -96.8 115.3 25.3 40.1 83.1 70 70 A F E -De 60 105A 0 34,-2.0 36,-3.1 -2,-0.7 2,-0.4 -0.853 9.2-171.5 -99.8 134.1 23.2 42.7 84.8 71 71 A Y E -De 59 106A 30 -12,-2.4 -12,-1.9 -2,-0.4 36,-0.2 -0.983 20.4-149.4-126.4 132.4 24.9 45.4 87.0 72 72 A S > - 0 0 0 34,-2.4 3,-1.8 -2,-0.4 -15,-0.4 0.425 29.9-135.8 -81.9 0.1 23.1 47.9 89.3 73 73 A N T 3 S- 0 0 3 1,-0.3 -16,-0.2 33,-0.2 -49,-0.1 0.875 71.8 -45.8 47.8 53.4 25.7 50.6 88.9 74 74 A R T 3 S+ 0 0 5 1,-0.2 36,-1.1 35,-0.1 -52,-0.4 0.579 115.8 138.8 68.9 9.2 25.9 51.6 92.7 75 75 A G < + 0 0 0 -3,-1.8 33,-0.6 -18,-0.3 -1,-0.2 -0.408 28.0 97.1-103.3-173.1 22.1 51.6 92.8 76 76 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 34,-0.3 0.504 47.2-152.0 -80.2 165.8 19.3 51.3 93.5 77 77 A V E +C 55 0A 4 -22,-3.2 -22,-2.4 -2,-0.1 2,-0.3 -0.917 43.6 129.2-100.8 118.8 18.3 54.7 95.0 78 78 A I E -C 54 0A 9 -2,-0.6 2,-1.1 -24,-0.2 -24,-0.2 -0.973 69.9 -82.7-164.1 160.8 15.5 53.9 97.5 79 79 A D > - 0 0 72 -26,-0.6 3,-1.2 -2,-0.3 7,-0.2 -0.639 40.0-168.6 -75.6 102.9 14.5 54.6 101.1 80 80 A Y T 3 S+ 0 0 22 -2,-1.1 -1,-0.2 1,-0.2 51,-0.0 0.478 78.6 70.4 -75.0 -0.7 16.6 51.9 102.9 81 81 A E T 3 S+ 0 0 141 1,-0.2 2,-1.3 2,-0.0 -1,-0.2 0.752 83.9 78.9 -81.0 -25.6 14.8 52.5 106.2 82 82 A N <> - 0 0 63 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 -0.672 61.2-179.1 -85.7 90.3 11.6 50.9 104.6 83 83 A Q H > S+ 0 0 88 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.832 79.8 52.4 -61.6 -34.2 12.4 47.2 104.8 84 84 A E H > S+ 0 0 163 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 111.6 46.5 -69.5 -39.6 9.2 46.2 103.0 85 85 A L H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 112.0 50.8 -67.9 -41.9 9.8 48.5 100.2 86 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -7,-0.2 5,-0.2 0.923 111.0 49.5 -60.7 -42.1 13.4 47.3 99.9 87 87 A H H X S+ 0 0 74 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.946 110.8 49.1 -60.6 -51.0 12.2 43.7 99.8 88 88 A F H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.906 110.7 51.6 -56.0 -45.9 9.6 44.5 97.1 89 89 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 111.7 43.3 -60.9 -48.9 12.2 46.2 95.0 90 90 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.821 114.4 50.7 -70.0 -27.9 14.8 43.5 95.0 91 91 A N H X S+ 0 0 54 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.925 114.2 44.2 -73.4 -43.7 12.3 40.7 94.4 92 92 A E H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.815 109.0 57.2 -71.1 -28.4 10.8 42.6 91.5 93 93 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.892 105.9 51.2 -67.7 -37.8 14.2 43.4 90.1 94 94 A S H X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.940 111.6 46.1 -62.2 -48.4 14.9 39.7 90.0 95 95 A K H X S+ 0 0 98 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.887 112.1 53.8 -61.3 -40.1 11.7 39.0 88.1 96 96 A Y H >< S+ 0 0 18 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.953 108.8 45.1 -61.8 -51.5 12.6 41.9 85.8 97 97 A V H ><>S+ 0 0 0 -4,-2.8 5,-1.5 1,-0.3 3,-1.3 0.797 104.3 64.2 -67.6 -22.9 16.0 40.7 84.9 98 98 A K H ><5S+ 0 0 117 -4,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.681 96.4 59.5 -70.8 -15.9 14.6 37.1 84.3 99 99 A K T <<5S+ 0 0 163 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.586 105.0 51.0 -83.6 -12.1 12.6 38.7 81.5 100 100 A H T < 5S- 0 0 55 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 -0.056 119.1-100.4-119.9 34.9 15.8 39.7 79.9 101 101 A R T < 5 - 0 0 168 -3,-0.6 -33,-1.6 1,-0.2 2,-0.2 0.843 55.4-178.0 53.8 42.5 17.8 36.5 79.8 102 102 A C E < -e 68 0A 3 -5,-1.5 -33,-0.2 -35,-0.2 -1,-0.2 -0.497 21.7-171.0 -73.1 138.0 19.9 37.4 82.8 103 103 A L E S- 0 0 0 -35,-3.2 287,-3.1 1,-0.4 288,-1.5 0.811 75.5 -8.6 -92.0 -44.1 22.6 34.9 83.9 104 104 A Y E -eF 69 389A 22 -36,-1.0 -34,-2.0 285,-0.3 2,-0.5 -0.972 62.6-137.0-156.3 144.6 23.4 36.7 87.1 105 105 A L E -eF 70 388A 0 283,-2.4 283,-2.8 -2,-0.3 2,-0.5 -0.921 16.4-162.8-108.8 124.5 22.5 40.0 88.7 106 106 A H E -eF 71 387A 7 -36,-3.1 -34,-2.4 -2,-0.5 2,-0.4 -0.927 9.6-178.4-111.4 119.5 25.3 42.0 90.5 107 107 A I E + F 0 386A 0 279,-3.0 279,-2.7 -2,-0.5 -36,-0.0 -0.935 17.0 175.9-120.2 144.0 24.3 44.8 92.9 108 108 A D - 0 0 0 -33,-0.6 277,-0.2 -2,-0.4 -2,-0.0 -0.539 23.5-159.5-142.5 69.1 26.6 47.2 94.9 109 109 A P - 0 0 0 0, 0.0 2,-2.3 0, 0.0 275,-0.5 -0.189 25.7-122.1 -56.1 139.2 24.2 49.6 96.7 110 110 A Y + 0 0 2 -36,-1.1 -35,-0.0 -34,-0.3 -2,-0.0 -0.556 67.3 139.1 -81.2 71.1 25.6 52.9 97.9 111 111 A L - 0 0 6 -2,-2.3 272,-2.2 273,-0.1 273,-0.2 -0.969 53.1-124.8-127.8 116.2 24.5 51.9 101.5 112 112 A P E +H 382 0B 7 0, 0.0 270,-0.3 0, 0.0 16,-0.1 -0.234 28.5 172.3 -60.1 147.6 26.7 52.6 104.6 113 113 A Y E - 0 0 38 268,-3.4 13,-2.8 1,-0.5 14,-0.4 0.675 64.5 -1.8-117.3 -59.1 27.6 49.6 106.8 114 114 A Q E -HI 381 125B 30 267,-1.7 267,-3.4 11,-0.3 -1,-0.5 -0.932 57.8-135.9-137.3 159.4 30.1 51.0 109.3 115 115 A Y E +HI 380 124B 65 9,-2.8 8,-3.0 -2,-0.3 9,-1.7 -0.929 29.2 173.0-115.0 139.1 31.8 54.3 110.2 116 116 A L E -HI 379 122B 10 263,-2.4 263,-2.9 -2,-0.4 6,-0.2 -0.869 29.2-118.7-137.8 169.7 35.6 54.3 111.0 117 117 A N > - 0 0 44 4,-1.8 3,-1.8 -2,-0.3 261,-0.1 -0.553 44.9 -94.9-100.2 175.4 38.3 56.9 111.6 118 118 A H T 3 S+ 0 0 13 1,-0.3 255,-0.1 259,-0.3 260,-0.0 0.345 121.0 67.7 -76.1 10.5 41.4 57.1 109.4 119 119 A D T 3 S- 0 0 90 2,-0.2 -1,-0.3 254,-0.0 3,-0.1 0.294 119.0-106.2-104.6 2.5 43.3 54.8 111.8 120 120 A G S < S+ 0 0 30 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.623 74.4 138.8 84.0 13.0 41.0 51.9 110.9 121 121 A E - 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N 0 299B 35 -2,-0.4 4,-2.6 -43,-0.4 66,-0.2 -0.936 14.4-158.3-101.6 107.5 50.6 82.5 85.5 234 245 A F H > S+ 0 0 0 64,-3.0 4,-3.5 -2,-0.8 5,-0.3 0.881 84.9 55.0 -62.1 -39.6 54.1 84.0 85.7 235 246 A D H > S+ 0 0 98 63,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 115.8 40.0 -58.0 -45.0 53.4 87.4 84.2 236 247 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 116.7 50.6 -70.6 -38.1 50.6 88.0 86.7 237 248 A Y H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.962 112.8 44.7 -62.7 -52.8 52.7 86.5 89.5 238 249 A I H X S+ 0 0 17 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.864 111.4 54.9 -61.2 -36.2 55.7 88.6 88.8 239 250 A K H X S+ 0 0 130 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.942 108.2 48.1 -62.4 -47.9 53.5 91.7 88.4 240 251 A E H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 110.3 52.3 -58.2 -43.8 52.0 91.1 91.9 241 252 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.886 108.7 50.1 -62.4 -37.9 55.5 90.6 93.4 242 253 A N H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.881 108.8 51.8 -69.7 -34.2 56.7 93.9 91.9 243 254 A E H X S+ 0 0 100 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.890 111.6 47.1 -67.9 -36.5 53.7 95.7 93.3 244 255 A E H X S+ 0 0 87 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.889 109.7 54.9 -70.5 -36.9 54.5 94.3 96.7 245 256 A R H X S+ 0 0 47 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.905 102.5 55.5 -62.8 -41.9 58.1 95.3 96.2 246 257 A D H X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.936 108.8 48.2 -56.4 -46.9 57.2 98.9 95.5 247 258 A I H X S+ 0 0 107 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.912 110.6 50.3 -60.6 -44.1 55.4 99.0 98.8 248 259 A L H X S+ 0 0 20 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.905 110.1 51.2 -60.8 -41.8 58.3 97.5 100.7 249 260 A N H X S+ 0 0 56 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.897 109.4 49.8 -62.7 -41.0 60.7 100.0 99.2 250 261 A K H X S+ 0 0 141 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.903 113.4 45.6 -64.9 -42.5 58.4 102.9 100.2 251 262 A D H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.894 109.8 56.0 -68.0 -37.9 58.2 101.6 103.8 252 263 A L H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 106.2 49.9 -59.4 -44.6 62.0 101.0 103.8 253 264 A N H X S+ 0 0 90 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 107.6 53.4 -65.1 -34.1 62.7 104.6 102.9 254 265 A K H X S+ 0 0 107 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.952 110.1 49.8 -61.9 -46.2 60.4 105.8 105.7 255 266 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.891 109.1 50.5 -57.3 -44.5 62.5 103.6 108.0 256 267 A L H X S+ 0 0 69 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.884 108.8 51.3 -64.0 -39.3 65.7 105.0 106.7 257 268 A K H >X S+ 0 0 120 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.926 109.1 52.6 -62.7 -43.6 64.5 108.6 107.3 258 269 A D H 3X S+ 0 0 79 -4,-2.3 4,-0.7 1,-0.3 -2,-0.2 0.905 104.0 54.5 -58.1 -45.7 63.5 107.6 110.8 259 270 A I H 3< S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.770 109.3 50.4 -61.6 -24.3 67.0 106.3 111.5 260 271 A E H << S+ 0 0 152 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.920 111.5 45.3 -77.6 -45.3 68.3 109.6 110.4 261 272 A K H < S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.455 133.9 20.5 -76.3 -2.0 66.0 111.6 112.7 262 273 A R >< + 0 0 154 -4,-0.7 3,-2.4 -5,-0.2 -1,-0.3 -0.320 65.9 175.6-164.2 66.9 66.8 109.2 115.5 263 274 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.580 85.7 51.7 -55.8 -7.6 70.1 107.3 114.9 264 275 A E T 3 S+ 0 0 178 -4,-0.0 2,-1.0 4,-0.0 3,-0.1 0.515 74.5 115.5-107.3 -8.5 69.7 105.8 118.3 265 276 A N <> - 0 0 51 -3,-2.4 4,-1.6 1,-0.2 3,-0.5 -0.499 45.5-168.5 -68.5 101.0 66.1 104.4 118.0 266 277 A K H > S+ 0 0 144 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.865 85.4 58.0 -57.1 -39.4 66.6 100.7 118.2 267 278 A K H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 104.8 51.1 -60.8 -38.2 63.1 100.0 117.0 268 279 A A H > S+ 0 0 6 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.880 110.1 49.0 -66.1 -39.9 63.8 102.0 113.8 269 280 A H H X S+ 0 0 43 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.908 111.7 49.2 -65.5 -43.1 66.9 99.9 113.2 270 281 A N H X S+ 0 0 85 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.880 109.3 53.2 -64.3 -37.6 64.9 96.7 113.8 271 282 A K H X S+ 0 0 102 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 107.9 49.7 -64.3 -42.4 62.2 97.9 111.4 272 283 A R H X S+ 0 0 71 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.935 111.9 48.1 -61.3 -47.8 64.8 98.6 108.6 273 284 A D H X S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.7 53.9 -59.5 -40.6 66.3 95.1 109.1 274 285 A N H X S+ 0 0 72 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.944 113.3 41.9 -58.7 -50.1 62.8 93.6 109.0 275 286 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 111.2 54.5 -66.6 -41.4 62.0 95.3 105.7 276 287 A Q H X S+ 0 0 77 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.908 107.3 52.1 -60.7 -41.0 65.3 94.6 104.1 277 288 A Q H X S+ 0 0 141 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.909 109.8 48.2 -61.9 -42.6 64.9 90.9 104.8 278 289 A Q H X S+ 0 0 82 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.877 109.1 54.4 -66.1 -37.1 61.4 90.9 103.2 279 290 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.918 108.1 49.0 -63.1 -41.9 62.9 92.7 100.2 280 291 A D H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.905 112.9 46.7 -65.6 -39.2 65.5 90.0 99.7 281 292 A A H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 112.4 50.9 -67.3 -41.4 63.0 87.3 100.0 282 293 A N H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.924 109.4 51.4 -60.5 -43.1 60.8 89.2 97.5 283 294 A E H X S+ 0 0 88 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.907 109.0 49.3 -61.3 -44.6 63.7 89.5 95.1 284 295 A Q H X S+ 0 0 132 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.854 108.8 53.8 -64.8 -34.3 64.4 85.8 95.2 285 296 A K H X S+ 0 0 101 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.926 109.6 47.7 -65.7 -42.2 60.8 85.0 94.5 286 297 A I H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.946 112.0 49.2 -62.3 -47.5 60.9 87.3 91.5 287 298 A E H X S+ 0 0 112 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 111.5 49.3 -59.8 -41.9 64.1 85.6 90.2 288 299 A E H X S+ 0 0 56 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.915 110.2 51.8 -64.3 -40.9 62.6 82.2 90.8 289 300 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 110.2 47.7 -60.7 -45.1 59.5 83.2 88.8 290 301 A K H X S+ 0 0 109 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.908 112.4 49.5 -63.4 -40.9 61.5 84.5 85.9 291 302 A R H X S+ 0 0 128 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.926 113.6 44.8 -64.9 -45.3 63.6 81.3 85.8 292 303 A L H X>S+ 0 0 3 -4,-2.7 4,-3.4 1,-0.2 5,-0.5 0.901 110.9 55.0 -65.6 -39.4 60.6 79.0 85.9 293 304 A Q H X5S+ 0 0 45 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.913 109.3 46.9 -60.5 -44.0 58.8 81.1 83.3 294 305 A E H <5S+ 0 0 172 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.4 41.4 -67.6 -37.0 61.7 80.8 80.9 295 306 A E H <5S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.914 132.0 20.1 -77.2 -41.7 62.0 77.0 81.4 296 307 A H H <5S- 0 0 74 -4,-3.4 3,-0.2 1,-0.3 -3,-0.2 0.611 106.1-112.7-105.4 -14.5 58.3 76.1 81.4 297 308 A G << - 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