==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-10 3OJO . COMPND 2 MOLECULE: CAP5O; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.NESSLER,J.GRUSZCZYK,V.OLIVARES-ILLANA,P.MEYER,S.MORERA . 827 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 77 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 2 2 4 0 6 5 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 RESIDUES PER ALPHA HELIX . 5 0 3 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 S 0 0 103 0, 0.0 24,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.6 16.0 26.9 103.0 2 2 A K E -a 25 0A 51 22,-0.2 72,-1.7 24,-0.0 73,-1.5 -0.921 360.0-171.5-114.4 137.1 12.2 26.9 102.6 3 3 A L E -ab 26 75A 3 22,-2.9 24,-2.5 -2,-0.4 2,-0.5 -0.992 9.4-158.5-130.7 133.3 9.9 29.9 102.3 4 4 A T E -ab 27 76A 0 71,-2.7 73,-2.8 -2,-0.4 2,-0.6 -0.932 5.5-161.4-108.5 127.3 6.1 30.2 102.4 5 5 A V E -ab 28 77A 0 22,-2.3 24,-3.3 -2,-0.5 2,-0.7 -0.955 9.1-154.6-107.2 114.8 4.4 33.2 100.8 6 6 A V E +ab 29 78A 8 71,-3.4 73,-3.2 -2,-0.6 24,-0.2 -0.847 69.8 28.1 -95.8 110.8 0.8 33.7 102.1 7 7 A G - 0 0 8 22,-3.5 2,-0.4 -2,-0.7 23,-0.2 0.576 66.0-150.7 103.7 108.0 -1.3 35.6 99.5 8 8 A L + 0 0 2 4,-0.2 37,-0.2 3,-0.1 72,-0.1 -0.396 52.8 111.1-108.4 54.5 -0.5 35.3 95.8 9 9 A G S > S- 0 0 24 70,-0.5 4,-1.9 -2,-0.4 37,-0.1 0.127 91.1 -46.3 -96.8-146.0 -1.6 38.6 94.2 10 10 A Y T 4 S+ 0 0 77 2,-0.2 -2,-0.0 1,-0.2 36,-0.0 0.749 142.5 32.9 -61.4 -27.6 0.3 41.6 92.8 11 11 A I T > S+ 0 0 40 68,-0.3 4,-1.5 3,-0.1 -1,-0.2 0.908 123.4 41.2 -90.6 -59.0 2.7 41.5 95.8 12 12 A G H > S+ 0 0 0 67,-0.5 4,-2.5 2,-0.2 -4,-0.2 0.844 110.2 52.4 -63.3 -48.2 2.9 37.8 96.7 13 13 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.972 113.3 42.0 -61.1 -55.2 3.1 36.1 93.3 14 14 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.877 115.8 51.4 -58.1 -36.7 6.1 38.1 91.9 15 15 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.900 109.9 50.1 -63.0 -41.8 7.8 37.8 95.4 16 16 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.960 113.4 45.4 -56.5 -56.1 7.2 34.0 95.2 17 17 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.859 110.8 55.6 -55.4 -43.1 8.7 33.9 91.7 18 18 A M H X S+ 0 0 8 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.896 110.0 41.3 -61.8 -50.2 11.6 36.1 92.8 19 19 A F H ><>S+ 0 0 2 -4,-2.1 5,-2.0 1,-0.2 3,-0.8 0.884 116.4 50.1 -66.6 -39.6 12.9 34.0 95.7 20 20 A A H ><5S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.807 103.2 60.4 -66.8 -33.3 12.4 30.7 93.7 21 21 A K H 3<5S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.709 105.6 50.8 -63.7 -24.1 14.4 32.4 90.8 22 22 A H T <<5S- 0 0 83 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.111 129.8 -92.2-104.9 17.8 17.3 32.6 93.3 23 23 A G T < 5S+ 0 0 40 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.425 79.3 137.2 88.5 3.0 17.2 28.9 94.5 24 24 A V < - 0 0 21 -5,-2.0 2,-0.7 1,-0.1 -1,-0.3 -0.614 58.9-120.4 -82.2 139.9 14.8 29.1 97.5 25 25 A D E -a 2 0A 69 -24,-1.9 -22,-2.9 -2,-0.2 2,-0.5 -0.759 40.5-166.1 -81.9 109.4 12.1 26.4 97.8 26 26 A V E -ac 3 64A 3 37,-3.3 39,-2.6 -2,-0.7 2,-0.6 -0.909 21.6-165.5-110.2 130.0 8.9 28.4 97.8 27 27 A L E -ac 4 65A 9 -24,-2.5 -22,-2.3 -2,-0.5 2,-0.5 -0.955 15.0-152.9-110.0 113.5 5.4 27.3 98.7 28 28 A G E -ac 5 66A 0 37,-2.9 39,-2.0 -2,-0.6 2,-0.5 -0.809 11.6-161.6 -86.5 123.3 2.8 29.8 97.5 29 29 A V E +ac 6 67A 5 -24,-3.3 -22,-3.5 -2,-0.5 2,-0.3 -0.959 19.0 158.5-114.5 122.6 -0.3 29.8 99.6 30 30 A D - 0 0 26 37,-1.9 6,-0.1 -2,-0.5 -2,-0.0 -0.998 35.6-149.3-143.0 137.2 -3.7 31.3 98.4 31 31 A I S S+ 0 0 136 -2,-0.3 2,-0.7 4,-0.0 37,-0.1 0.631 76.7 93.7 -77.6 -18.6 -7.3 30.6 99.6 32 32 A N > - 0 0 72 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.715 58.0-165.7 -81.7 111.9 -8.7 31.3 96.1 33 33 A Q H > S+ 0 0 106 -2,-0.7 4,-3.1 2,-0.2 5,-0.2 0.844 89.7 59.2 -63.4 -37.0 -9.0 27.9 94.3 34 34 A Q H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 108.2 46.2 -56.9 -45.0 -9.5 29.7 90.9 35 35 A T H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 114.5 46.9 -61.1 -50.9 -6.0 31.3 91.5 36 36 A I H X S+ 0 0 2 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.870 112.1 50.0 -61.0 -42.9 -4.4 27.9 92.5 37 37 A D H X S+ 0 0 78 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.921 111.6 48.4 -63.3 -45.4 -6.0 26.1 89.5 38 38 A K H <>S+ 0 0 83 -4,-2.2 5,-2.2 2,-0.2 4,-0.4 0.936 116.2 44.3 -57.6 -49.9 -4.7 28.8 87.1 39 39 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.926 112.6 49.9 -62.9 -49.1 -1.2 28.5 88.8 40 40 A Q H 3<5S+ 0 0 114 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.8 56.4 -62.0 -28.6 -1.2 24.7 88.8 41 41 A N T 3<5S- 0 0 146 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.550 126.8-102.4 -77.6 -11.1 -2.2 24.7 85.1 42 42 A G T < 5S+ 0 0 14 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.343 83.7 118.4 104.5 -1.0 1.0 26.8 84.4 43 43 A Q < - 0 0 105 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.790 65.0-117.0-101.1 140.5 -0.6 30.3 84.0 44 44 A I - 0 0 16 -2,-0.3 8,-0.1 1,-0.1 -1,-0.0 -0.444 12.2-147.1 -69.5 143.2 0.0 33.4 86.2 45 45 A S S S+ 0 0 28 -37,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.453 79.6 66.8 -88.0 -5.7 -3.1 34.6 88.1 46 46 A I S S- 0 0 24 -37,-0.1 2,-0.9 2,-0.1 -2,-0.1 -0.884 83.8-119.9-121.4 144.9 -1.8 38.3 87.8 47 47 A E + 0 0 155 -2,-0.3 -2,-0.0 4,-0.1 -37,-0.0 -0.777 54.0 133.8 -94.2 103.6 -1.4 40.6 84.8 48 48 A E >> - 0 0 21 -2,-0.9 3,-1.7 1,-0.2 4,-0.5 -0.924 56.2-113.2-149.9 119.2 2.3 41.7 84.5 49 49 A P T >4 S+ 0 0 111 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.653 99.1 8.8 -20.3 -98.4 4.4 41.7 81.2 50 50 A G T 3> S+ 0 0 31 1,-0.2 4,-1.2 106,-0.2 3,-0.1 0.174 99.9 102.3 -82.5 19.2 7.3 39.2 81.2 51 51 A L H <> S+ 0 0 2 -3,-1.7 4,-2.7 1,-0.2 3,-0.2 0.889 72.2 60.1 -68.2 -41.3 6.2 37.5 84.4 52 52 A Q H S+ 0 0 130 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.871 113.2 42.8 -63.3 -46.3 8.0 33.6 81.1 54 54 A V H X S+ 0 0 18 -4,-1.2 4,-1.8 -3,-0.2 -2,-0.2 0.794 113.3 53.7 -74.7 -30.1 9.8 33.8 84.5 55 55 A Y H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.922 105.5 53.6 -68.1 -43.2 6.9 31.8 86.1 56 56 A E H X S+ 0 0 104 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.855 110.7 46.6 -57.4 -41.8 7.3 29.1 83.5 57 57 A E H X S+ 0 0 125 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.924 116.1 44.1 -64.5 -50.7 11.1 28.7 84.3 58 58 A V H <>S+ 0 0 5 -4,-1.8 6,-1.2 2,-0.2 5,-1.0 0.791 112.4 51.0 -67.3 -35.6 10.5 28.6 88.1 59 59 A L H ><5S+ 0 0 58 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.928 111.8 48.4 -70.5 -42.7 7.5 26.2 88.0 60 60 A S H 3<5S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.739 104.4 59.4 -67.6 -29.9 9.5 23.7 85.8 61 61 A S T 3<5S- 0 0 71 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.593 107.6-126.9 -75.4 -11.0 12.6 23.9 88.1 62 62 A G T < 5S+ 0 0 30 -3,-1.0 -3,-0.1 -4,-0.3 -2,-0.1 0.543 81.0 115.4 74.4 9.7 10.3 22.6 91.0 63 63 A K < + 0 0 64 -5,-1.0 -37,-3.3 1,-0.2 2,-0.5 0.726 69.3 53.4 -80.0 -25.6 11.4 25.6 93.1 64 64 A L E +c 26 0A 5 -6,-1.2 2,-0.3 -39,-0.2 -37,-0.2 -0.933 64.0 168.0-118.7 110.8 7.8 27.1 93.2 65 65 A K E -c 27 0A 126 -39,-2.6 -37,-2.9 -2,-0.5 2,-0.3 -0.854 19.9-146.7-113.7 150.5 4.9 24.9 94.3 66 66 A V E +c 28 0A 23 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.814 21.9 160.6-118.3 157.9 1.4 26.3 95.2 67 67 A S E -c 29 0A 32 -39,-2.0 -37,-1.9 -2,-0.3 -2,-0.0 -0.961 45.1-128.9-165.5 164.0 -1.2 25.2 97.7 68 68 A T S S+ 0 0 54 -2,-0.3 -39,-0.1 -39,-0.2 -35,-0.0 0.416 97.4 63.7 -96.3 -5.4 -4.4 26.4 99.6 69 69 A T S S- 0 0 76 -38,-0.0 -39,-0.0 -3,-0.0 2,-0.0 -0.962 81.0-130.3-122.8 136.0 -2.7 25.2 102.9 70 70 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.344 25.2-165.0 -77.4 165.8 0.5 26.4 104.6 71 71 A E - 0 0 82 -44,-0.1 36,-0.1 -2,-0.0 -44,-0.1 -0.929 38.1 -60.8-143.4 166.0 3.1 24.0 105.6 72 72 A A + 0 0 47 -2,-0.3 2,-0.3 34,-0.1 36,-0.1 -0.180 66.6 161.3 -48.8 136.1 6.2 24.0 107.9 73 73 A S - 0 0 8 34,-0.4 36,-0.3 1,-0.1 -70,-0.2 -0.960 49.9-127.1-154.1 166.2 8.8 26.6 106.7 74 74 A D S S+ 0 0 75 -72,-1.7 39,-1.9 1,-0.3 2,-0.4 0.833 99.3 26.6 -84.7 -39.5 11.8 28.6 107.7 75 75 A V E -bd 3 113A 13 -73,-1.5 -71,-2.7 37,-0.2 2,-0.4 -0.977 65.5-165.0-127.7 140.1 10.3 32.0 106.6 76 76 A F E -bd 4 114A 0 37,-2.7 39,-3.0 -2,-0.4 2,-0.5 -0.997 3.7-166.4-125.8 128.8 6.7 33.1 106.2 77 77 A I E -bd 5 115A 0 -73,-2.8 -71,-3.4 -2,-0.4 2,-0.7 -0.974 8.6-153.4-117.1 118.1 5.7 36.2 104.3 78 78 A I E +bd 6 116A 1 37,-3.0 39,-3.2 -2,-0.5 40,-1.2 -0.838 28.5 156.8 -93.1 116.5 2.2 37.5 104.7 79 79 A A + 0 0 4 -73,-3.2 -67,-0.5 -2,-0.7 -70,-0.5 -0.265 26.0 134.8-132.1 39.2 1.2 39.4 101.5 80 80 A V - 0 0 21 1,-0.1 2,-0.1 -69,-0.1 17,-0.1 -0.357 61.5 -86.4 -82.5 167.1 -2.7 39.2 101.8 81 81 A P - 0 0 84 0, 0.0 15,-0.3 0, 0.0 16,-0.1 -0.400 21.8-149.2 -80.5 157.6 -4.9 42.2 101.2 82 82 A T - 0 0 19 14,-0.1 176,-0.3 -2,-0.1 12,-0.1 -0.863 29.1-157.2-119.6 85.9 -5.9 44.9 103.8 83 83 A P - 0 0 51 0, 0.0 10,-2.6 0, 0.0 2,-0.4 -0.095 24.1 -91.8 -63.7 168.0 -9.3 45.9 102.5 84 84 A N B -I 92 0B 51 8,-0.2 8,-0.2 174,-0.1 7,-0.1 -0.709 39.9-143.7 -83.1 126.7 -11.1 49.2 103.3 85 85 A N - 0 0 39 6,-2.6 2,-0.4 -2,-0.4 5,-0.1 -0.361 25.7-101.0 -76.2 170.9 -13.3 49.1 106.4 86 86 A D S S+ 0 0 167 4,-0.1 2,-0.2 -2,-0.1 -2,-0.0 -0.851 78.6 123.9-127.9 91.9 -16.7 51.1 106.8 87 87 A D S S- 0 0 51 -2,-0.4 -3,-0.0 4,-0.0 0, 0.0 -0.205 80.5-110.6 81.7 121.1 -15.4 53.5 108.5 88 88 A Q S S+ 0 0 143 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 0.365 124.3 43.7 -92.5 -14.2 -15.5 57.3 107.8 89 89 A Y S S- 0 0 35 170,-0.1 170,-0.2 172,-0.0 -1,-0.1 0.539 104.7-129.0-104.7 -21.2 -11.7 57.0 107.3 90 90 A R - 0 0 62 168,-0.1 169,-1.3 1,-0.1 -4,-0.1 0.933 44.3-165.0 59.0 47.3 -11.9 53.7 105.1 91 91 A S B -j 259 0C 0 167,-0.2 -6,-2.6 1,-0.1 169,-0.2 -0.159 24.7 -79.9 -61.6 157.2 -9.2 52.5 107.6 92 92 A a B -I 84 0B 9 167,-2.2 2,-0.7 169,-0.3 -8,-0.2 -0.412 36.9-137.7 -64.5 130.1 -7.1 49.4 107.0 93 93 A D - 0 0 42 -10,-2.6 3,-0.4 -2,-0.2 4,-0.2 -0.842 17.2-173.7 -91.1 114.9 -8.8 46.1 107.7 94 94 A I > + 0 0 42 -2,-0.7 4,-2.4 1,-0.2 3,-0.2 0.362 58.6 100.8 -85.2 -1.2 -6.2 43.8 109.5 95 95 A S H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.822 79.7 46.7 -58.2 -42.4 -8.6 40.8 109.4 96 96 A L H > S+ 0 0 48 -3,-0.4 4,-2.2 -15,-0.3 -1,-0.2 0.825 112.7 51.7 -72.5 -29.8 -7.0 38.9 106.5 97 97 A V H > S+ 0 0 2 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.917 112.6 45.4 -67.9 -45.3 -3.5 39.5 108.0 98 98 A M H X S+ 0 0 37 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.901 113.2 49.7 -67.2 -39.5 -4.7 38.0 111.3 99 99 A R H X S+ 0 0 161 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 111.4 49.2 -63.7 -44.4 -6.4 35.1 109.5 100 100 A A H X S+ 0 0 6 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.952 111.3 49.8 -60.8 -47.1 -3.2 34.4 107.5 101 101 A L H >X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 3,-0.9 0.917 109.7 51.5 -54.5 -50.9 -1.2 34.6 110.8 102 102 A D H 3< S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.9 53.3 -55.8 -40.1 -3.7 32.1 112.4 103 103 A S H 3< S+ 0 0 47 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.780 112.9 44.5 -69.1 -23.8 -3.3 29.7 109.4 104 104 A I H X< S+ 0 0 0 -4,-1.3 3,-2.7 -3,-0.9 4,-0.5 0.862 91.9 82.8 -87.0 -35.4 0.6 29.7 109.9 105 105 A L G >< S+ 0 0 31 -4,-2.2 3,-1.5 1,-0.3 -2,-0.1 0.752 86.0 55.1 -36.6 -51.9 0.6 29.3 113.8 106 106 A P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 109.3 49.3 -63.6 -15.2 0.2 25.5 113.8 107 107 A F G < S+ 0 0 56 -3,-2.7 -34,-0.4 -4,-0.1 -2,-0.2 0.475 83.3 125.4 -99.7 -4.8 3.3 25.1 111.6 108 108 A L < + 0 0 15 -3,-1.5 2,-0.3 -4,-0.5 -34,-0.1 -0.341 33.4 178.2 -64.7 131.4 5.6 27.4 113.6 109 109 A K > - 0 0 112 -36,-0.3 3,-1.5 -2,-0.1 -2,-0.0 -0.873 40.8 -80.7-128.0 156.9 8.9 26.0 114.8 110 110 A K T 3 S+ 0 0 153 -2,-0.3 34,-0.2 1,-0.2 33,-0.1 -0.354 115.5 31.1 -59.7 136.2 11.8 27.6 116.8 111 111 A G T 3 S+ 0 0 41 32,-3.0 -1,-0.2 1,-0.3 33,-0.2 0.197 88.5 139.5 97.8 -10.3 14.1 29.8 114.6 112 112 A N E < - e 0 144A 8 -3,-1.5 33,-2.7 31,-0.6 2,-0.4 -0.209 42.9-141.5 -67.2 152.2 11.3 30.8 112.1 113 113 A T E -de 75 145A 5 -39,-1.9 -37,-2.7 31,-0.2 2,-0.5 -0.968 7.4-162.1-118.1 131.3 10.8 34.3 110.6 114 114 A I E -de 76 146A 0 31,-3.5 33,-2.8 -2,-0.4 2,-0.4 -0.980 9.7-173.9-114.6 118.7 7.4 36.0 110.1 115 115 A I E -de 77 147A 0 -39,-3.0 -37,-3.0 -2,-0.5 2,-0.6 -0.961 11.7-156.8-113.1 128.8 7.4 39.0 107.6 116 116 A V E +de 78 148A 1 31,-2.6 33,-1.9 -2,-0.4 -37,-0.2 -0.959 18.9 169.3-106.9 109.8 4.3 41.0 107.1 117 117 A E + 0 0 2 -39,-3.2 34,-1.8 -2,-0.6 -38,-0.2 0.668 50.2 96.9 -90.4 -22.4 4.5 42.7 103.7 118 118 A S S S- 0 0 6 -40,-1.2 2,-0.3 32,-0.2 31,-0.1 -0.177 91.4 -86.6 -64.5 156.5 0.8 43.9 103.8 119 119 A T + 0 0 47 31,-0.1 2,-0.3 32,-0.1 -1,-0.1 -0.520 55.7 177.7 -71.4 126.4 -0.3 47.4 104.9 120 120 A I - 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0 0 100 -27,-0.3 -24,-3.3 1,-0.0 2,-0.6 -0.457 37.8-141.9 -71.9 142.9 15.3 88.7 88.9 603 192 B M E -v 578 0E 39 -26,-0.2 2,-0.5 -2,-0.1 -24,-0.2 -0.944 11.6-153.1-112.0 108.1 11.9 90.5 88.4 604 193 B I E -v 579 0E 17 -26,-3.3 -24,-3.2 -2,-0.6 2,-0.5 -0.735 11.4-145.7 -83.1 122.2 9.2 88.0 87.8 605 194 B E E +v 580 0E 100 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.827 38.7 128.3 -95.2 129.3 6.3 89.5 85.7 606 195 B T E -v 581 0E 22 -26,-2.2 -24,-1.9 -2,-0.5 2,-0.2 -0.913 56.6 -78.3-161.3 177.8 2.8 88.4 86.5 607 196 B D E >> -v 582 0E 58 -26,-0.3 4,-1.9 -2,-0.3 3,-0.7 -0.552 44.4-107.5 -89.3 158.2 -0.7 89.8 87.2 608 197 B A H 3> S+ 0 0 0 -26,-1.8 4,-2.2 1,-0.2 5,-0.1 0.860 117.1 53.6 -50.6 -45.9 -1.7 91.2 90.6 609 198 B R H 3> S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 109.5 48.5 -61.4 -36.4 -4.1 88.2 91.5 610 199 B T H <> S+ 0 0 6 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.878 111.6 49.8 -70.7 -40.2 -1.2 85.7 90.8 611 200 B A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.858 114.5 45.0 -64.0 -43.5 1.2 87.7 93.0 612 201 B E H X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.2 3,-0.3 0.973 116.3 44.3 -63.7 -57.4 -1.3 87.8 95.8 613 202 B M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.839 110.4 55.8 -56.2 -43.8 -2.4 84.1 95.6 614 203 B S H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.856 107.3 47.1 -59.0 -46.8 1.2 82.8 95.3 615 204 B K H X S+ 0 0 36 -4,-1.2 4,-1.2 -3,-0.3 -1,-0.2 0.849 115.0 46.1 -70.7 -31.1 2.5 84.5 98.5 616 205 B L H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 55,-0.7 0.800 107.3 56.9 -79.7 -33.1 -0.4 83.2 100.5 617 206 B M H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.776 104.3 55.1 -64.3 -33.6 -0.1 79.7 99.0 618 207 B E H X S+ 0 0 10 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.939 110.8 44.3 -62.6 -48.1 3.5 79.7 100.3 619 208 B N H X S+ 0 0 31 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.822 115.5 48.7 -63.7 -39.2 2.1 80.5 103.8 620 209 B T H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.874 107.5 52.1 -70.8 -47.0 -0.7 77.9 103.4 621 210 B Y H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.922 114.3 46.4 -56.2 -44.6 1.6 75.0 102.2 622 211 B R H X S+ 0 0 100 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.873 114.5 45.6 -65.9 -40.2 3.7 75.8 105.3 623 212 B D H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 114.0 46.5 -71.8 -46.4 0.7 75.9 107.7 624 213 B V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.854 115.1 48.7 -62.2 -40.2 -1.1 72.8 106.5 625 214 B N H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 34,-0.5 0.858 110.9 48.5 -71.9 -34.5 2.3 70.9 106.6 626 215 B I H X S+ 0 0 14 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.922 110.3 52.9 -68.7 -43.0 3.1 72.1 110.1 627 216 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.898 108.0 51.8 -56.5 -43.4 -0.5 71.0 111.1 628 217 B L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 111.3 45.9 -58.5 -47.8 0.3 67.5 109.6 629 218 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.911 115.1 47.7 -60.1 -47.0 3.5 67.3 111.7 630 219 B N H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.853 111.8 48.7 -65.0 -41.3 1.7 68.5 114.9 631 220 B E H X S+ 0 0 9 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.890 111.9 50.3 -65.4 -40.2 -1.2 66.0 114.3 632 221 B L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.856 105.1 57.5 -65.6 -38.4 1.3 63.2 113.8 633 222 B T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.878 106.5 49.1 -58.5 -43.4 3.1 64.2 117.0 634 223 B K H X S+ 0 0 54 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.914 114.1 45.4 -64.0 -42.4 -0.1 63.7 119.0 635 224 B I H X S+ 0 0 24 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.933 114.2 48.5 -63.7 -51.4 -0.7 60.2 117.3 636 225 B C H <>S+ 0 0 0 -4,-3.0 5,-3.2 1,-0.2 4,-0.3 0.801 108.7 53.0 -59.9 -39.2 3.0 59.2 117.9 637 226 B N H ><5S+ 0 0 14 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.903 107.7 52.0 -67.9 -34.1 2.9 60.2 121.5 638 227 B N H 3<5S+ 0 0 141 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.705 115.5 41.1 -69.5 -26.4 -0.2 58.1 122.1 639 228 B L T 3<5S- 0 0 51 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.235 113.4-112.5-107.1 9.1 1.5 55.0 120.5 640 229 B N T < 5S+ 0 0 79 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.912 70.3 143.1 56.1 45.2 4.9 55.5 122.2 641 230 B I < - 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