==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-03 1QWJ . COMPND 2 MOLECULE: CYTIDINE MONOPHOSPHO-N-ACETYLNEURAMINIC ACID . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.KRAPP,A.K.MUENSTER-KUEHNEL,J.T.KAISER,R.HUBER,J.TIRALONGO, . 913 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 10.4 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 . 6 0.7 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 . 1 0.1 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 . 85 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 7 2 0 0 0 7 1 6 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 6 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 PARALLEL BRIDGES PER LADDER . 7 7 0 0 4 0 4 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 . 4 0 0 0 0 0 1 3 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 40 A P 0 0 162 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 124.2 -25.5 8.7 2 41 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 43,-0.1 -0.503 360.0-107.6 -70.8 135.6 124.0 -22.0 7.1 3 42 A H - 0 0 36 91,-0.2 94,-2.8 -2,-0.2 93,-2.2 -0.536 34.0-165.9 -70.3 109.8 124.6 -19.2 9.7 4 43 A L E -a 97 0A 14 -2,-0.7 41,-2.0 92,-0.2 42,-1.1 -0.824 8.9-173.3 -99.0 101.6 121.3 -17.4 10.4 5 44 A A E -ab 98 46A 0 92,-2.8 94,-4.0 -2,-0.8 2,-0.4 -0.797 19.1-139.2-102.3 138.0 121.8 -14.1 12.2 6 45 A A E -ab 99 47A 0 40,-3.1 42,-3.6 -2,-0.4 2,-0.4 -0.728 23.1-167.7 -87.1 140.3 119.1 -11.9 13.7 7 46 A L E -ab 100 48A 0 92,-2.8 94,-2.3 -2,-0.4 2,-0.6 -0.963 13.0-176.4-137.6 118.1 119.9 -8.2 13.0 8 47 A V E - b 0 49A 0 40,-1.8 42,-2.0 -2,-0.4 2,-0.6 -0.951 16.4-150.8-116.3 111.2 118.1 -5.4 14.7 9 48 A L E + b 0 50A 33 -2,-0.6 94,-0.4 92,-0.4 2,-0.3 -0.710 23.9 169.1 -81.2 118.5 119.2 -2.0 13.4 10 49 A A - 0 0 0 40,-3.3 42,-0.4 -2,-0.6 43,-0.3 -0.755 6.7-179.4-137.3 91.0 118.7 0.5 16.2 11 50 A R - 0 0 38 -2,-0.3 10,-0.3 40,-0.2 8,-0.2 -0.510 34.3-123.8 -86.4 157.4 120.3 4.0 15.8 12 51 A G S S+ 0 0 8 -2,-0.2 7,-3.0 6,-0.1 8,-0.4 0.901 91.7 80.2 -65.9 -43.5 120.1 6.8 18.3 13 52 A G + 0 0 28 62,-0.3 2,-0.4 5,-0.2 -2,-0.2 -0.489 55.9 177.0 -69.3 126.3 118.6 9.2 15.9 14 53 A S - 0 0 17 2,-0.2 2,-1.2 -2,-0.2 63,-0.1 -0.985 49.6 -98.8-129.0 123.1 114.9 8.7 15.5 15 54 A K S S- 0 0 98 -2,-0.4 2,-0.4 62,-0.1 -2,-0.0 -0.256 105.8 -1.0 -45.4 89.0 113.3 11.3 13.2 16 55 A G S S+ 0 0 66 -2,-1.2 -2,-0.2 0, 0.0 -1,-0.1 -0.977 133.0 28.6 130.4-122.0 112.0 13.4 16.0 17 56 A I S S- 0 0 110 -2,-0.4 3,-0.5 -4,-0.1 -2,-0.1 -0.711 87.3-131.3 -80.1 107.8 112.5 12.5 19.7 18 57 A P S S+ 0 0 89 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 0.004 81.3 36.9 -56.4 161.4 115.8 10.4 19.7 19 58 A L >> + 0 0 38 -7,-3.0 3,-2.5 -8,-0.2 4,-0.7 0.623 65.4 144.1 67.3 20.0 116.4 7.0 21.4 20 59 A K T 34 + 0 0 41 -3,-0.5 10,-0.3 -8,-0.4 3,-0.2 0.728 67.1 63.5 -58.8 -21.3 112.9 5.9 20.5 21 60 A N T 34 S+ 0 0 20 -10,-0.3 10,-2.2 1,-0.2 -1,-0.3 0.595 111.4 35.1 -79.1 -10.6 114.4 2.5 20.0 22 61 A I T <4 S+ 0 0 23 -3,-2.5 2,-0.3 8,-0.2 -2,-0.2 0.291 89.2 119.6-123.6 0.2 115.3 2.4 23.7 23 62 A K S < S- 0 0 73 -4,-0.7 7,-1.9 -3,-0.2 5,-0.1 -0.533 76.0-102.0 -70.0 131.1 112.2 4.2 25.0 24 63 A R E -H 29 0B 90 -2,-0.3 2,-0.5 5,-0.3 -1,-0.1 -0.321 37.2-172.0 -60.9 128.0 110.2 2.1 27.4 25 64 A L E > S-H 28 0B 0 3,-3.2 3,-1.4 1,-0.1 8,-0.1 -0.976 78.1 -15.6-123.8 113.5 107.1 0.5 25.8 26 65 A A T 3 S- 0 0 4 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.870 134.2 -49.1 60.1 35.8 104.9 -1.3 28.3 27 66 A G T 3 S+ 0 0 14 1,-0.1 -1,-0.3 653,-0.1 -3,-0.1 0.383 125.1 88.1 88.5 -4.4 107.8 -1.2 30.8 28 67 A V E < S-H 25 0B 18 -3,-1.4 -3,-3.2 -5,-0.1 5,-0.1 -0.993 85.4-103.5-131.5 135.1 110.5 -2.5 28.5 29 68 A P E >> -H 24 0B 12 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.295 43.3-109.9 -54.3 133.5 112.7 -0.6 26.1 30 69 A L H >> S+ 0 0 0 -7,-1.9 3,-1.7 1,-0.3 4,-0.7 0.783 113.3 54.1 -34.3 -61.3 111.5 -1.1 22.5 31 70 A I H 3> S+ 0 0 0 -10,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.770 95.9 73.0 -52.5 -25.5 114.2 -3.3 21.1 32 71 A G H <> S+ 0 0 0 -3,-2.3 4,-2.6 2,-0.2 -1,-0.3 0.892 90.8 55.7 -57.6 -40.0 113.7 -5.7 24.0 33 72 A W H X>S+ 0 0 1 -4,-2.2 3,-0.8 2,-0.2 4,-0.6 0.952 112.6 41.3 -60.6 -55.9 114.3 -13.5 18.4 39 78 A L H ><5S+ 0 0 67 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.933 113.0 52.8 -60.7 -49.2 116.1 -15.3 21.1 40 79 A D H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.618 94.3 73.1 -65.4 -11.4 113.2 -17.5 22.2 41 80 A A H <<5S- 0 0 6 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.858 85.3-154.8 -70.9 -32.5 112.7 -18.6 18.6 42 81 A G T <<5 + 0 0 72 -3,-1.4 -3,-0.1 -4,-0.6 -2,-0.1 0.825 65.2 104.0 62.1 33.0 115.8 -20.7 19.0 43 82 A V < + 0 0 34 -5,-0.5 2,-0.4 -4,-0.1 -39,-0.1 0.446 54.2 87.1-122.2 -5.0 116.4 -20.6 15.3 44 83 A F - 0 0 27 -6,-0.3 -39,-0.2 -5,-0.2 3,-0.1 -0.798 60.2-151.7-102.3 138.6 119.3 -18.0 15.0 45 84 A Q S S+ 0 0 95 -41,-2.0 2,-0.3 -2,-0.4 -40,-0.2 0.602 91.4 4.3 -78.3 -10.4 123.0 -18.9 15.2 46 85 A S E -b 5 0A 12 -42,-1.1 -40,-3.1 2,-0.0 2,-0.5 -0.932 62.7-145.7-169.5 147.5 123.3 -15.3 16.6 47 86 A V E -b 6 0A 12 -2,-0.3 19,-3.0 -42,-0.2 2,-0.3 -0.975 29.6-176.9-122.4 113.5 121.1 -12.4 17.5 48 87 A W E -bc 7 66A 18 -42,-3.6 -40,-1.8 -2,-0.5 2,-0.4 -0.723 21.3-158.9-114.3 162.8 122.7 -9.0 16.8 49 88 A V E -bc 8 67A 0 17,-1.2 19,-2.6 -2,-0.3 2,-0.6 -0.978 11.9-153.4-138.5 119.5 121.9 -5.3 17.3 50 89 A S E +bc 9 68A 0 -42,-2.0 -40,-3.3 -2,-0.4 2,-0.3 -0.867 32.9 147.4 -99.1 119.3 123.5 -2.7 15.1 51 90 A T E - c 0 69A 0 17,-2.3 19,-4.2 -2,-0.6 -40,-0.2 -0.904 46.4-151.4-143.8 171.7 123.7 0.7 16.8 52 91 A D S S+ 0 0 55 -42,-0.4 2,-0.4 -2,-0.3 -41,-0.1 0.179 75.5 82.4-127.7 10.8 125.9 3.8 17.1 53 92 A H > - 0 0 62 -43,-0.3 4,-1.1 1,-0.1 17,-0.1 -0.929 68.6-140.5-123.5 144.8 124.9 4.8 20.7 54 93 A D H >> S+ 0 0 98 -2,-0.4 4,-2.0 1,-0.2 3,-0.8 0.962 100.7 54.1 -66.1 -53.0 126.1 3.6 24.0 55 94 A E H 3> S+ 0 0 100 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.822 109.4 48.6 -48.8 -41.2 122.8 3.4 25.8 56 95 A I H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.781 107.8 56.0 -71.9 -29.3 121.3 1.2 23.1 57 96 A E H S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-0.4 0.909 108.4 46.8 -56.7 -45.2 120.9 -4.6 23.8 61 100 A K H ><5S+ 0 0 125 -4,-2.0 3,-2.1 -3,-0.3 -1,-0.2 0.866 104.8 60.7 -66.6 -35.4 123.3 -6.6 26.0 62 101 A Q H 3<5S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.2 50.8 -61.8 -29.1 120.8 -6.8 28.8 63 102 A F T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.295 123.9-108.4 -90.5 10.7 118.5 -8.6 26.5 64 103 A G T < 5S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.898 71.6 140.7 65.9 41.8 121.4 -11.0 25.6 65 104 A A < - 0 0 7 -5,-1.8 -1,-0.2 -8,-0.1 -17,-0.2 -0.911 54.3-117.8-114.0 141.2 122.0 -9.6 22.1 66 105 A Q E -c 48 0A 105 -19,-3.0 -17,-1.2 -2,-0.4 2,-0.4 -0.476 33.0-136.1 -73.7 153.5 125.4 -9.2 20.6 67 106 A V E -c 49 0A 27 -19,-0.2 2,-0.5 -2,-0.1 -17,-0.2 -0.951 17.8-168.7-121.1 134.1 126.2 -5.6 19.7 68 107 A H E -c 50 0A 21 -19,-2.6 -17,-2.3 -2,-0.4 2,-0.8 -0.977 22.3-136.0-116.8 121.7 127.8 -4.1 16.6 69 108 A R E -c 51 0A 99 -2,-0.5 -17,-0.2 -19,-0.2 -19,-0.1 -0.710 27.4-146.7 -83.6 110.7 128.9 -0.5 16.8 70 109 A R - 0 0 19 -19,-4.2 2,-0.2 -2,-0.8 14,-0.0 -0.255 13.9-106.8 -73.8 159.0 127.8 1.0 13.5 71 110 A S > - 0 0 42 1,-0.1 3,-1.2 13,-0.1 4,-0.4 -0.580 27.3-117.4 -85.7 153.0 129.5 3.8 11.6 72 111 A S G > S+ 0 0 91 1,-0.3 3,-0.9 -2,-0.2 4,-0.2 0.775 110.3 65.0 -57.9 -31.8 128.0 7.3 11.6 73 112 A E G 3 S+ 0 0 152 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.787 106.2 41.9 -65.2 -30.1 127.5 7.2 7.8 74 113 A T G < S+ 0 0 15 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.375 105.4 66.1 -98.4 4.1 125.0 4.3 8.1 75 114 A S S < S+ 0 0 7 -3,-0.9 -62,-0.3 -4,-0.4 -1,-0.2 0.355 76.9 117.6-103.2 4.9 123.2 5.8 11.1 76 115 A K S > S- 0 0 113 -3,-0.4 3,-0.8 -4,-0.2 -65,-0.1 -0.239 79.3-112.1 -74.6 160.2 121.8 8.9 9.4 77 116 A D T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -63,-0.1 -62,-0.1 0.746 124.3 44.7 -59.9 -21.6 118.1 9.8 8.9 78 117 A S T 3 S+ 0 0 57 2,-0.1 2,-0.3 313,-0.0 -1,-0.3 0.613 85.3 115.3 -96.7 -16.5 118.8 9.1 5.2 79 118 A S < - 0 0 24 -3,-0.8 -5,-0.1 1,-0.1 -6,-0.0 -0.391 60.3-140.9 -62.6 115.6 120.7 5.9 5.7 80 119 A T > - 0 0 27 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.266 18.7-114.6 -72.7 163.8 118.8 3.0 4.2 81 120 A S H > S+ 0 0 44 1,-0.2 4,-3.7 2,-0.2 5,-0.4 0.949 115.6 57.1 -62.5 -49.6 118.6 -0.4 5.8 82 121 A L H > S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.837 105.2 51.7 -51.3 -39.0 120.5 -2.0 3.0 83 122 A D H > S+ 0 0 80 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.917 116.0 40.9 -65.5 -41.7 123.4 0.4 3.6 84 123 A A H X S+ 0 0 3 -4,-1.6 4,-1.4 -3,-0.3 -2,-0.2 0.889 114.9 48.5 -73.8 -42.5 123.4 -0.6 7.3 85 124 A I H X S+ 0 0 3 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.884 113.4 50.7 -65.5 -35.7 122.8 -4.3 6.8 86 125 A V H X S+ 0 0 60 -4,-2.2 4,-0.7 -5,-0.4 -1,-0.2 0.724 107.5 52.4 -73.9 -22.6 125.7 -4.2 4.3 87 126 A E H < S+ 0 0 23 -4,-0.8 -1,-0.2 2,-0.2 4,-0.2 0.774 109.0 51.3 -82.2 -23.7 127.9 -2.4 6.7 88 127 A F H >< S+ 0 0 0 -4,-1.4 3,-2.4 1,-0.2 -2,-0.2 0.949 106.0 51.8 -72.9 -53.4 127.3 -5.1 9.3 89 128 A L H >< S+ 0 0 8 -4,-2.1 3,-2.1 1,-0.3 6,-0.2 0.761 92.9 75.0 -54.4 -30.3 128.1 -8.1 7.1 90 129 A N T 3< S+ 0 0 117 -4,-0.7 -1,-0.3 1,-0.3 3,-0.2 0.787 104.4 39.8 -54.6 -24.6 131.4 -6.4 6.2 91 130 A Y T < S+ 0 0 135 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.273 116.7 49.4-109.4 9.4 132.3 -7.5 9.7 92 131 A H X + 0 0 20 -3,-2.1 3,-2.1 -4,-0.1 -1,-0.2 -0.490 47.1 160.0-148.4 71.0 130.7 -11.0 9.7 93 132 A N T 3 S+ 0 0 137 1,-0.3 -3,-0.1 -3,-0.2 -4,-0.1 0.544 75.3 76.2 -70.5 -1.9 131.6 -13.0 6.7 94 133 A E T 3 S+ 0 0 75 -5,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.555 77.3 88.8 -81.9 -13.2 130.5 -15.8 8.9 95 134 A V < + 0 0 0 -3,-2.1 -91,-0.1 -6,-0.2 3,-0.1 -0.722 44.5 171.3 -91.5 135.7 126.9 -14.9 8.4 96 135 A D S S+ 0 0 67 -93,-2.2 85,-3.2 -2,-0.4 2,-0.4 0.691 71.2 34.2-110.6 -34.0 125.1 -16.5 5.4 97 136 A I E -aD 4 180A 9 -94,-2.8 -92,-2.8 83,-0.2 2,-0.6 -0.988 68.0-153.5-130.6 129.2 121.5 -15.3 6.2 98 137 A V E -aD 5 179A 3 81,-2.7 81,-1.8 -2,-0.4 2,-1.1 -0.892 1.3-159.4-104.6 120.1 120.5 -12.0 7.7 99 138 A G E -aD 6 178A 0 -94,-4.0 -92,-2.8 -2,-0.6 2,-0.7 -0.762 15.0-160.9 -99.7 89.5 117.2 -11.9 9.6 100 139 A N E -aD 7 177A 3 77,-2.7 77,-3.1 -2,-1.1 2,-0.5 -0.601 12.1-177.5 -76.1 111.2 116.4 -8.2 9.6 101 140 A I E - D 0 176A 0 -94,-2.3 2,-0.5 -2,-0.7 -92,-0.4 -0.935 18.6-139.3-116.8 129.3 113.9 -7.4 12.3 102 141 A Q > - 0 0 47 73,-2.4 3,-1.3 -2,-0.5 -92,-0.1 -0.727 3.3-151.3 -89.7 126.5 112.4 -4.0 13.0 103 142 A A T 3 S+ 0 0 4 -2,-0.5 -69,-0.2 -94,-0.4 -1,-0.1 0.741 90.3 78.1 -64.4 -21.9 112.0 -2.9 16.6 104 143 A T T 3 S+ 0 0 19 1,-0.3 103,-1.6 70,-0.1 -1,-0.3 0.356 88.1 58.2 -73.4 8.9 109.1 -0.8 15.5 105 144 A S X + 0 0 1 -3,-1.3 3,-0.6 101,-0.2 -1,-0.3 -0.617 64.8 166.4-134.8 70.2 106.9 -3.9 15.3 106 145 A P T 3 + 0 0 4 0, 0.0 119,-0.6 0, 0.0 -69,-0.1 0.464 58.8 81.6 -67.4 -4.0 107.1 -5.2 18.9 107 146 A C T 3 + 0 0 5 96,-0.3 2,-0.1 98,-0.2 -3,-0.0 0.098 63.7 134.6 -92.3 27.4 104.2 -7.6 18.6 108 147 A L < - 0 0 1 -3,-0.6 117,-0.4 117,-0.1 -71,-0.1 -0.436 39.9-157.1 -73.9 146.5 106.5 -10.2 17.0 109 148 A H >> - 0 0 44 -2,-0.1 4,-1.0 115,-0.1 3,-1.0 -0.958 24.2-125.0-125.6 143.8 106.3 -13.8 18.2 110 149 A P H 3> S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.787 104.6 71.1 -58.0 -26.2 108.9 -16.5 17.9 111 150 A T H 3> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.884 99.0 47.2 -55.6 -43.8 106.5 -18.8 16.1 112 151 A D H <> S+ 0 0 17 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.844 111.2 51.1 -67.5 -37.9 106.5 -16.6 13.0 113 152 A L H X S+ 0 0 0 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.851 109.3 51.0 -68.7 -35.7 110.3 -16.4 13.0 114 153 A Q H X S+ 0 0 85 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.836 109.8 49.6 -70.2 -35.1 110.6 -20.2 13.3 115 154 A K H X S+ 0 0 108 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.823 111.2 48.3 -74.6 -33.0 108.2 -20.8 10.3 116 155 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.905 108.8 54.3 -72.6 -40.3 110.1 -18.4 8.1 117 156 A A H X S+ 0 0 12 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.903 110.4 47.2 -57.9 -40.8 113.4 -20.0 9.1 118 157 A E H >X S+ 0 0 106 -4,-1.6 4,-1.8 1,-0.2 3,-0.7 0.828 103.2 61.2 -71.7 -32.0 111.9 -23.3 8.0 119 158 A M H 3< S+ 0 0 28 -4,-1.5 5,-0.5 1,-0.3 4,-0.4 0.902 102.9 52.8 -60.1 -37.4 110.6 -21.8 4.7 120 159 A I H 3< S+ 0 0 20 -4,-1.7 -1,-0.3 4,-0.2 -2,-0.2 0.703 112.0 48.0 -70.8 -19.2 114.2 -21.1 3.9 121 160 A R H << S+ 0 0 208 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.955 122.5 23.5 -84.3 -72.1 115.1 -24.7 4.5 122 161 A E S < S+ 0 0 137 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.991 134.6 33.4 -58.0 -71.8 112.5 -26.8 2.6 123 162 A E S S- 0 0 77 -4,-0.4 -1,-0.2 -5,-0.3 -3,-0.2 0.618 101.0-141.1 -63.3 -10.5 111.4 -24.3 -0.1 124 163 A G - 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0 0 6 -68,-3.1 -66,-0.4 -2,-0.5 5,-0.1 -0.637 29.2 -89.1-102.0 160.2 101.2 -12.3 9.6 200 239 A R > - 0 0 150 -2,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.355 33.5-122.7 -66.2 145.6 98.2 -11.7 11.8 201 240 A A G > S+ 0 0 46 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.895 109.8 62.5 -55.6 -43.9 96.8 -8.2 11.8 202 241 A E G 3 S+ 0 0 35 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.711 107.4 44.7 -58.6 -18.6 97.1 -7.9 15.6 203 242 A H G < S+ 0 0 21 -3,-1.4 -1,-0.3 1,-0.2 -96,-0.3 0.385 100.8 71.2-106.6 5.5 100.9 -8.3 15.2 204 243 A S < + 0 0 4 -3,-2.1 2,-0.9 -4,-0.3 -1,-0.2 0.156 59.2 117.9-109.1 18.0 101.3 -5.9 12.2 205 244 A V - 0 0 30 -3,-0.3 -98,-0.2 -4,-0.1 -32,-0.1 -0.777 54.5-145.7 -94.6 108.9 100.7 -2.5 13.7 206 245 A D > - 0 0 8 -2,-0.9 4,-1.4 -101,-0.1 -101,-0.2 -0.128 18.1-119.7 -61.1 159.5 103.8 -0.4 13.3 207 246 A I H > S+ 0 0 11 -103,-1.6 4,-1.3 1,-0.2 3,-0.1 0.954 114.5 51.5 -67.6 -50.3 104.8 2.2 16.0 208 247 A D H 4 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.750 105.9 60.1 -58.6 -25.8 104.6 5.1 13.6 209 248 A V H 4 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.962 102.4 45.3 -71.2 -53.7 101.1 4.0 12.6 210 249 A D H < S- 0 0 4 -4,-1.4 2,-2.4 1,-0.2 -1,-0.2 0.782 86.4-167.1 -60.6 -25.3 99.3 4.1 16.0 211 250 A I < + 0 0 71 -4,-1.3 2,-0.7 -5,-0.1 -1,-0.2 -0.440 62.0 85.3 74.5 -71.6 100.9 7.5 16.4 212 251 A D S >> S- 0 0 20 -2,-2.4 4,-1.2 1,-0.2 3,-1.2 -0.492 72.1-151.9 -65.8 105.2 100.0 7.8 20.1 213 252 A W H >> S+ 0 0 33 -2,-0.7 4,-1.4 1,-0.3 3,-1.1 0.915 93.6 56.2 -48.4 -50.0 102.9 6.0 21.9 214 253 A P H 3> S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.864 100.3 60.4 -53.6 -33.2 100.7 5.0 24.8 215 254 A I H <> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.3 -2,-0.2 0.886 102.8 50.8 -60.0 -38.2 98.3 3.3 22.4 216 255 A A H S+ 0 0 39 -7,-1.9 3,-0.7 1,-0.1 -6,-0.1 0.924 78.7 155.4 60.5 42.7 74.2 -4.6 19.5 249 59 B K G > + 0 0 23 -3,-0.4 3,-1.7 -8,-0.3 10,-0.3 0.805 55.0 71.8 -70.3 -32.0 77.7 -3.2 18.9 250 60 B N G 3 S+ 0 0 15 -10,-0.4 10,-2.4 1,-0.3 -1,-0.2 0.716 107.3 33.7 -61.9 -22.3 76.4 0.1 17.6 251 61 B I G < S+ 0 0 25 -3,-0.7 -1,-0.3 8,-0.2 2,-0.2 0.129 87.2 127.2-117.0 20.4 75.2 1.2 21.0 252 62 B K S < S- 0 0 71 -3,-1.7 7,-2.6 6,-0.1 2,-0.5 -0.523 72.5-102.0 -70.9 143.7 78.0 -0.4 23.0 253 63 B R E -R 258 0E 77 5,-0.3 2,-0.6 -2,-0.2 3,-0.1 -0.570 38.6-175.0 -76.2 120.2 79.7 2.2 25.2 254 64 B L E > S-R 257 0E 0 3,-3.6 3,-1.0 -2,-0.5 8,-0.0 -0.953 81.5 -13.4-115.2 109.6 83.0 3.4 23.8 255 65 B A T 3 S- 0 0 2 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.850 133.3 -53.1 66.1 35.0 84.7 5.7 26.3 256 66 B G T 3 S+ 0 0 10 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.436 124.3 95.8 83.4 -0.7 81.4 5.9 28.1 257 67 B V E < S-R 254 0E 25 -3,-1.0 -3,-3.6 -5,-0.1 -1,-0.2 -0.982 82.0-112.3-124.1 129.3 79.3 6.9 25.1 258 68 B P E > -R 253 0E 7 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.401 41.0-106.1 -63.0 135.1 77.4 4.3 23.0 259 69 B L T >> S+ 0 0 0 -7,-2.6 3,-2.2 -10,-0.3 4,-0.7 0.746 114.5 53.0 -26.9 -70.5 79.1 4.1 19.5 260 70 B I H 3> S+ 0 0 0 -10,-2.4 4,-2.5 1,-0.3 -1,-0.3 0.749 97.6 72.5 -45.8 -25.6 76.6 6.0 17.3 261 71 B G H <> S+ 0 0 0 -3,-2.7 4,-2.2 2,-0.2 -1,-0.3 0.858 90.7 55.1 -61.3 -36.5 76.8 8.9 19.7 262 72 B W H <> S+ 0 0 5 -3,-2.2 4,-1.8 -4,-0.5 5,-0.2 0.986 115.0 36.9 -59.0 -59.9 80.3 9.9 18.6 263 73 B V H X S+ 0 0 1 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.851 115.5 54.0 -61.7 -40.3 79.4 10.3 15.0 264 74 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.923 107.2 52.8 -63.1 -41.2 75.9 11.7 15.6 265 75 B R H X S+ 0 0 47 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.930 109.9 45.1 -61.4 -48.0 77.4 14.4 17.8 266 76 B A H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.894 112.2 57.0 -63.1 -36.6 80.0 15.6 15.2 267 77 B A H >X>S+ 0 0 1 -4,-2.0 3,-1.1 -5,-0.2 4,-0.6 0.974 112.1 37.2 -55.2 -62.5 77.1 15.5 12.7 268 78 B L H ><5S+ 0 0 66 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.880 113.7 56.2 -60.2 -41.9 74.8 17.8 14.6 269 79 B D H 3<5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.631 93.8 70.4 -68.7 -12.7 77.6 20.1 15.8 270 80 B A H <<5S- 0 0 6 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.822 86.9-155.9 -70.8 -31.3 78.6 20.6 12.2 271 81 B G T <<5 + 0 0 68 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 0.845 64.4 105.0 57.9 36.0 75.4 22.6 11.8 272 82 B V < + 0 0 39 -5,-0.5 2,-0.3 -39,-0.0 -39,-0.2 0.502 54.1 85.1-121.0 -12.1 75.6 21.8 8.1 273 83 B F - 0 0 24 -6,-0.3 -39,-0.2 -5,-0.1 3,-0.2 -0.672 62.0-149.1 -96.5 148.5 72.8 19.2 7.8 274 84 B Q S S+ 0 0 111 -41,-2.6 2,-0.3 1,-0.3 -40,-0.2 0.571 91.0 4.6 -86.6 -10.0 69.1 19.9 7.2 275 85 B S E -l 234 0C 11 -42,-1.1 -40,-2.9 2,-0.0 2,-0.6 -0.890 63.4-145.3-171.8 139.0 68.5 16.6 9.1 276 86 B V E -l 235 0C 14 -2,-0.3 19,-2.8 -42,-0.2 2,-0.2 -0.957 31.1-176.7-114.6 114.1 70.5 14.0 11.0 277 87 B W E -lm 236 295C 15 -42,-3.6 -40,-1.2 -2,-0.6 2,-0.3 -0.630 21.7-159.2-111.3 169.3 69.1 10.5 10.6 278 88 B V E -lm 237 296C 0 17,-0.7 19,-2.6 -42,-0.2 2,-0.7 -0.947 10.3-153.0-148.1 118.2 69.8 7.0 11.8 279 89 B S E +lm 238 297C 0 -42,-1.5 -40,-3.1 -2,-0.3 2,-0.2 -0.856 34.8 147.0 -98.4 114.1 68.5 3.9 10.0 280 90 B T E - m 0 298C 0 17,-2.1 19,-1.6 -2,-0.7 -40,-0.2 -0.805 45.9-152.6-136.6 179.1 68.0 1.0 12.4 281 91 B D S S+ 0 0 25 -42,-0.5 2,-0.4 -2,-0.2 -41,-0.1 0.223 72.1 87.1-135.3 6.6 65.8 -2.0 13.0 282 92 B H > - 0 0 50 -43,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.909 68.5-139.0-119.7 138.0 66.2 -2.2 16.8 283 93 B D H > S+ 0 0 105 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.824 104.5 50.0 -59.5 -35.1 64.3 -0.6 19.7 284 94 B E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 109.5 49.9 -75.6 -33.9 67.4 0.2 21.7 285 95 B I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 108.6 54.0 -69.4 -41.7 69.3 1.8 18.9 286 96 B E H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 109.9 47.9 -56.1 -46.4 66.2 3.9 18.1 287 97 B N H X S+ 0 0 88 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.960 113.0 45.7 -59.5 -55.9 66.2 5.1 21.8 288 98 B V H X S+ 0 0 16 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.914 111.8 53.4 -53.5 -48.2 70.0 5.9 21.9 289 99 B A H ><>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-0.7 0.937 109.6 47.9 -52.8 -49.9 69.7 7.7 18.5 290 100 B K H ><5S+ 0 0 120 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.846 105.1 59.2 -62.4 -33.7 66.9 9.8 19.9 291 101 B Q H 3<5S+ 0 0 98 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.841 104.5 51.5 -64.4 -30.0 68.9 10.6 23.0 292 102 B F T <<5S- 0 0 49 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.210 124.4-104.8 -92.0 17.7 71.5 12.1 20.8 293 103 B G T < 5S+ 0 0 51 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.843 74.3 140.4 65.7 36.4 69.0 14.2 19.0 294 104 B A < - 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