==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-08 3FEG . COMPND 2 MOLECULE: CHOLINE/ETHANOLAMINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.HONG,W.TEMPEL,W.M.RABEH,F.MACKENZIE,C.H.ARROWSMITH,A.M.E . 336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 11.0 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 . 1 0.3 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-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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 0 0 0 0 1 0 1 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 42 A S > 0 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 147.0 48.1 65.5 2.6 2 43 A R H > + 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.879 360.0 48.4 -52.5 -44.0 51.5 65.4 4.3 3 44 A D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 110.2 50.4 -69.7 -39.9 50.2 66.4 7.6 4 45 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.2 49.4 -65.4 -39.2 47.3 63.9 7.6 5 46 A E H X S+ 0 0 38 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 110.7 50.4 -66.3 -38.4 49.7 61.1 6.7 6 47 A R H X S+ 0 0 59 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.932 110.1 48.9 -69.6 -44.1 52.1 62.1 9.5 7 48 A R H X S+ 0 0 50 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.918 112.1 49.0 -60.0 -45.2 49.3 62.2 12.1 8 49 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.919 111.4 49.8 -61.6 -44.5 48.0 58.8 11.0 9 50 A Y H X S+ 0 0 26 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.941 112.7 46.9 -55.9 -51.0 51.5 57.3 11.1 10 51 A Q H X S+ 0 0 80 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.920 112.5 49.3 -60.7 -43.5 52.1 58.7 14.6 11 52 A W H X>S+ 0 0 29 -4,-2.7 4,-2.7 1,-0.2 5,-0.6 0.925 112.3 48.2 -64.8 -44.0 48.7 57.5 15.9 12 53 A C H X>S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 5,-1.0 0.949 114.6 44.9 -61.8 -48.3 49.3 54.0 14.5 13 54 A R H X5S+ 0 0 100 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.937 120.0 41.1 -60.0 -45.0 52.8 53.8 16.0 14 55 A E H <5S+ 0 0 133 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.881 125.4 30.3 -74.6 -42.8 51.7 55.2 19.4 15 56 A Y H <5S+ 0 0 81 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.762 127.2 38.2 -94.2 -28.5 48.4 53.4 19.9 16 57 A L H <<< + 0 0 16 -5,-1.0 3,-2.0 -4,-0.8 5,-0.1 -0.235 37.3 77.0 65.0-155.5 52.6 49.5 19.0 18 59 A G G > S+ 0 0 21 1,-0.3 3,-2.1 2,-0.2 4,-0.3 -0.290 115.0 2.0 56.6-131.2 54.2 46.2 18.3 19 60 A A G > S+ 0 0 1 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.775 122.5 74.0 -58.8 -26.5 55.1 45.8 14.6 20 61 A W G X S+ 0 0 1 -3,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.776 84.0 67.2 -61.5 -22.4 53.9 49.4 14.0 21 62 A R G < S+ 0 0 112 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.756 98.6 52.6 -65.5 -23.8 57.0 50.6 15.7 22 63 A R G < S+ 0 0 95 -3,-1.9 -1,-0.2 -4,-0.3 2,-0.2 0.490 84.8 111.6 -92.2 -6.0 59.1 49.3 12.8 23 64 A V < - 0 0 0 -3,-1.0 5,-0.0 -4,-0.4 19,-0.0 -0.487 58.5-144.9 -75.2 134.5 57.1 51.0 10.1 24 65 A Q > - 0 0 87 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.759 22.5-117.8 -94.4 147.4 58.8 53.8 8.2 25 66 A P G > S+ 0 0 61 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.848 113.0 59.4 -54.4 -35.9 56.7 56.8 7.1 26 67 A E G 3 S+ 0 0 136 1,-0.3 -3,-0.0 3,-0.0 3,-0.0 0.594 100.8 57.9 -70.8 -9.1 57.3 56.1 3.4 27 68 A E G < S+ 0 0 63 -3,-2.2 2,-0.4 1,-0.1 -1,-0.3 0.359 97.7 68.8 -99.8 -2.4 55.7 52.6 3.8 28 69 A L < + 0 0 7 -3,-1.5 2,-0.3 -4,-0.3 -19,-0.1 -0.988 49.6 165.8-128.2 125.8 52.3 53.8 5.1 29 70 A R - 0 0 125 -2,-0.4 12,-0.3 12,-0.2 2,-0.2 -0.995 32.5-122.9-132.2 141.7 49.6 55.7 3.3 30 71 A V - 0 0 22 -2,-0.3 10,-0.2 10,-0.1 -25,-0.1 -0.579 19.1-151.4 -79.6 141.1 46.0 56.2 4.4 31 72 A Y E -A 39 0A 149 8,-1.9 8,-2.9 -2,-0.2 2,-0.2 -0.951 15.5-129.9-116.1 116.4 43.2 55.1 2.2 32 73 A P E A 38 0A 89 0, 0.0 6,-0.2 0, 0.0 4,-0.0 -0.432 360.0 360.0 -68.1 137.0 39.9 56.9 2.4 33 74 A V 0 0 94 4,-2.5 5,-0.2 -2,-0.2 24,-0.0 0.314 360.0 360.0-132.4 360.0 36.8 54.9 2.7 34 ! 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 35 80 A N 0 0 116 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.2 35.4 61.5 4.5 36 81 A L + 0 0 81 25,-0.0 24,-3.0 26,-0.0 2,-0.4 0.342 360.0 84.1-120.2 -3.0 36.4 60.8 8.0 37 82 A L E + B 0 59A 43 22,-0.2 -4,-2.5 20,-0.0 2,-0.4 -0.923 50.9 176.1-116.2 134.9 37.3 57.1 7.7 38 83 A F E -AB 32 58A 37 20,-2.3 20,-3.2 -2,-0.4 2,-0.4 -0.998 24.1-132.1-143.1 134.3 40.7 55.7 6.6 39 84 A R E -AB 31 57A 69 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.4 -0.695 19.6-172.4 -83.9 136.8 42.3 52.3 6.2 40 85 A C E - B 0 56A 0 16,-2.4 16,-2.5 -2,-0.4 2,-0.4 -0.999 5.3-170.4-127.3 130.7 45.8 51.8 7.6 41 86 A S E - B 0 55A 39 -2,-0.4 14,-0.2 -12,-0.3 -12,-0.2 -0.961 24.8-119.4-126.3 136.5 47.6 48.5 6.9 42 87 A L - 0 0 3 12,-2.6 12,-0.1 -2,-0.4 -22,-0.1 -0.469 47.5 -95.1 -67.7 135.7 50.8 47.1 8.3 43 88 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.242 30.3-124.2 -54.1 140.0 53.4 46.5 5.6 44 89 A D T 3 S+ 0 0 154 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.802 105.5 62.4 -56.0 -36.6 53.4 42.9 4.3 45 90 A H T 3 S+ 0 0 127 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.704 89.0 86.1 -67.8 -17.4 57.1 42.4 5.0 46 91 A L S < S- 0 0 15 -3,-1.6 2,-0.2 1,-0.0 -27,-0.1 -0.703 70.2-141.9 -91.9 132.7 56.7 42.9 8.7 47 92 A P - 0 0 97 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.587 29.9-104.5 -81.7 148.6 55.7 40.2 11.1 48 93 A S - 0 0 51 -2,-0.2 -30,-0.1 1,-0.1 3,-0.1 -0.393 23.4-154.8 -67.0 148.8 53.3 41.0 13.9 49 94 A V - 0 0 110 -32,-0.1 -1,-0.1 3,-0.1 2,-0.1 0.884 68.1 -26.6 -91.0 -54.1 54.9 41.2 17.4 50 95 A G S S- 0 0 34 2,-0.1 -2,-0.0 3,-0.0 -31,-0.0 -0.160 103.2 -43.9-130.3-130.4 52.0 40.4 19.6 51 96 A E S S+ 0 0 184 -2,-0.1 3,-0.1 -3,-0.1 -3,-0.0 0.353 86.0 130.7 -95.8 6.5 48.2 40.8 19.3 52 97 A E - 0 0 27 1,-0.1 2,-0.1 2,-0.1 -33,-0.1 -0.297 64.7-103.2 -63.3 142.3 48.3 44.3 17.8 53 98 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.381 19.3-159.2 -75.1 147.0 46.2 44.6 14.7 54 99 A R S S+ 0 0 77 1,-0.2 -12,-2.6 -2,-0.1 2,-0.5 0.677 83.6 46.9 -86.5 -23.3 47.6 44.6 11.2 55 100 A E E S+B 41 0A 58 -14,-0.2 45,-1.9 45,-0.1 2,-0.3 -0.962 70.3 161.6-131.1 116.7 44.5 46.3 9.7 56 101 A V E -BC 40 99A 0 -16,-2.5 -16,-2.4 -2,-0.5 2,-0.5 -0.852 32.0-134.0-132.3 160.0 42.8 49.3 11.3 57 102 A L E -BC 39 98A 22 41,-3.0 41,-2.8 -2,-0.3 2,-0.6 -0.988 15.8-148.0-112.9 127.9 40.4 52.1 10.5 58 103 A L E -BC 38 97A 6 -20,-3.2 -20,-2.3 -2,-0.5 2,-0.6 -0.863 15.3-166.3 -90.2 120.0 41.2 55.6 11.6 59 104 A R E -BC 37 96A 62 37,-2.8 37,-2.3 -2,-0.6 2,-0.4 -0.967 2.5-159.8-112.4 114.5 38.0 57.4 12.3 60 105 A L E - C 0 95A 48 -24,-3.0 35,-0.3 -2,-0.6 34,-0.1 -0.790 13.0-148.2 -93.7 137.4 38.3 61.2 12.7 61 106 A Y 0 0 52 33,-2.4 34,-0.1 -2,-0.4 -1,-0.1 0.861 360.0 360.0 -70.0 -34.9 35.6 63.0 14.5 62 107 A G 0 0 102 32,-0.5 -1,-0.2 -26,-0.1 -26,-0.0 -0.365 360.0 360.0 54.9 360.0 36.0 66.1 12.4 63 ! 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 64 111 A Q 0 0 138 0, 0.0 5,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 127.7 30.2 67.0 20.4 65 112 A G > - 0 0 46 1,-0.1 4,-2.2 3,-0.0 5,-0.2 -0.168 360.0-115.3 -61.1 153.5 29.7 67.5 24.1 66 113 A V H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 116.2 47.3 -50.2 -56.6 31.9 65.9 26.7 67 114 A D H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 110.9 52.6 -59.4 -41.4 29.2 63.8 28.2 68 115 A S H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 109.5 48.7 -61.2 -41.7 28.2 62.7 24.7 69 116 A L H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.882 109.3 52.9 -71.3 -35.2 31.7 61.6 23.8 70 117 A V H X S+ 0 0 80 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.962 112.3 45.0 -60.0 -50.4 32.1 59.7 27.1 71 118 A L H X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.932 113.4 49.7 -64.0 -43.6 28.9 57.8 26.4 72 119 A E H X S+ 0 0 55 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.910 114.3 44.3 -61.4 -42.9 29.9 57.1 22.7 73 120 A S H X S+ 0 0 27 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 113.7 48.9 -73.8 -38.8 33.3 55.9 23.6 74 121 A V H X S+ 0 0 59 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.937 111.9 50.6 -63.5 -42.9 32.2 53.7 26.5 75 122 A M H X S+ 0 0 16 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.941 111.3 47.0 -62.1 -48.2 29.5 52.2 24.3 76 123 A F H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.928 112.2 51.1 -60.0 -43.8 32.0 51.4 21.5 77 124 A A H X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 112.0 46.2 -61.6 -43.2 34.5 49.9 23.9 78 125 A I H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.934 110.0 51.3 -68.2 -46.2 31.9 47.6 25.6 79 126 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 6,-1.0 0.909 109.2 54.0 -60.7 -33.4 30.3 46.4 22.3 80 127 A A H ><5S+ 0 0 2 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 0.945 106.7 49.7 -63.1 -48.1 33.9 45.5 21.2 81 128 A E H 3<5S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.850 112.4 49.0 -59.3 -32.2 34.5 43.5 24.3 82 129 A R T 3<5S- 0 0 103 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.309 114.5-115.2 -94.4 8.9 31.2 41.6 23.7 83 130 A S T < 5S+ 0 0 75 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.769 86.9 113.3 63.4 30.5 32.0 40.9 20.1 84 131 A L S -D 95 0A 16 3,-2.2 3,-1.2 -2,-0.4 -2,-0.0 -0.917 59.6 -87.4-151.8 171.3 42.4 60.3 21.4 93 140 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -32,-0.1 0.861 122.3 45.5 -61.4 -32.4 41.0 63.8 21.1 94 141 A E T 3 S- 0 0 95 1,-0.1 -33,-2.4 -33,-0.1 -32,-0.5 0.563 124.5 -63.9 -85.0 -13.5 40.7 63.7 17.3 95 142 A G E < -CD 60 92A 0 -3,-1.2 -3,-2.2 -35,-0.3 2,-0.3 -0.985 55.0 -79.5 162.2-156.3 39.2 60.3 16.8 96 143 A R E -CD 59 91A 17 -37,-2.3 -37,-2.8 -2,-0.3 2,-0.5 -0.963 18.4-127.1-144.6 161.5 39.8 56.6 17.2 97 144 A L E +CD 58 90A 0 -7,-2.2 -8,-3.1 -2,-0.3 -7,-1.5 -0.970 35.6 178.6-112.2 125.5 41.5 53.6 15.8 98 145 A E E -CD 57 88A 6 -41,-2.8 -41,-3.0 -2,-0.5 -10,-0.2 -0.846 36.5 -87.1-122.0 160.4 39.2 50.6 15.2 99 146 A Q E -C 56 0A 54 -12,-2.7 2,-0.6 -2,-0.3 -43,-0.2 -0.463 37.4-130.3 -61.5 129.9 39.5 47.1 13.8 100 147 A Y - 0 0 52 -45,-1.9 -45,-0.1 -2,-0.2 -46,-0.1 -0.794 24.0-145.0 -79.5 119.5 39.0 47.0 10.1 101 148 A I - 0 0 12 -2,-0.6 2,-0.4 111,-0.0 111,-0.0 -0.797 12.7-126.9 -90.0 116.7 36.5 44.2 9.7 102 149 A P S S+ 0 0 37 0, 0.0 103,-2.4 0, 0.0 104,-0.6 -0.487 71.3 89.7 -66.6 117.1 37.2 42.2 6.5 103 150 A S E -E 204 0B 32 -2,-0.4 101,-0.2 101,-0.3 99,-0.1 -0.969 66.5-116.3 179.7 176.0 33.8 42.4 4.9 104 151 A R E -E 203 0B 99 99,-1.4 99,-3.2 -2,-0.3 2,-0.1 -0.971 34.8-106.4-140.8 154.1 31.5 44.3 2.7 105 152 A P E -E 202 0B 66 0, 0.0 97,-0.2 0, 0.0 94,-0.2 -0.426 37.4-108.3 -73.6 153.6 28.1 46.0 3.5 106 153 A L - 0 0 6 95,-2.1 2,-0.3 92,-1.1 95,-0.2 -0.362 28.9-127.3 -68.7 159.8 24.9 44.5 2.5 107 154 A K >> - 0 0 105 1,-0.1 3,-1.2 -2,-0.1 4,-0.8 -0.773 25.3-105.6-106.0 158.9 22.8 46.0 -0.3 108 155 A T G >4 S+ 0 0 4 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.871 118.1 51.0 -50.4 -48.5 19.1 46.9 -0.0 109 156 A Q G >4 S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.800 100.9 63.5 -65.2 -25.7 17.8 44.0 -2.1 110 157 A E G X4 S+ 0 0 26 -3,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.738 83.7 77.8 -73.4 -18.3 19.8 41.5 0.0 111 158 A L G << S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.772 90.6 54.9 -62.6 -24.3 17.8 42.3 3.1 112 159 A R G < S+ 0 0 60 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.582 76.0 112.3 -89.9 -9.4 14.9 40.3 1.9 113 160 A E <> - 0 0 92 -3,-1.4 4,-3.0 -4,-0.2 5,-0.3 -0.462 69.7-134.1 -67.8 128.3 16.8 37.0 1.3 114 161 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 99.9 47.1 -59.0 -40.5 15.4 34.6 3.9 115 162 A V H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.945 117.1 43.2 -69.9 -41.5 18.7 33.2 5.2 116 163 A L H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 112.5 53.9 -67.0 -40.6 20.3 36.7 5.6 117 164 A S H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.922 107.7 50.2 -62.1 -42.1 17.1 38.1 7.1 118 165 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.913 111.0 49.7 -60.2 -41.4 17.2 35.3 9.7 119 166 A A H X S+ 0 0 24 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.871 110.1 50.2 -68.1 -38.2 20.8 36.1 10.5 120 167 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.907 110.1 50.7 -63.7 -43.6 19.9 39.8 10.8 121 168 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.907 111.0 48.7 -60.3 -43.7 17.1 39.0 13.2 122 169 A T H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.934 112.8 47.7 -63.0 -44.4 19.4 36.8 15.3 123 170 A K H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 110.8 50.8 -65.2 -41.7 22.0 39.6 15.4 124 171 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.928 109.7 50.4 -63.5 -43.8 19.5 42.2 16.4 125 172 A A H X S+ 0 0 6 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.890 108.8 53.1 -60.4 -37.0 18.1 40.1 19.2 126 173 A Q H >< S+ 0 0 59 -4,-2.2 3,-0.8 2,-0.2 4,-0.2 0.928 108.8 48.9 -61.9 -45.0 21.7 39.6 20.4 127 174 A F H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.938 106.9 56.1 -59.7 -44.4 22.2 43.3 20.5 128 175 A H H 3< S+ 0 0 15 -4,-2.6 63,-0.6 1,-0.3 -1,-0.2 0.645 96.5 66.6 -65.1 -14.7 18.9 43.7 22.4 129 176 A G T << S+ 0 0 59 -3,-0.8 -1,-0.3 -4,-0.8 2,-0.3 0.532 78.8 114.3 -78.6 -7.4 20.3 41.3 25.0 130 177 A M < - 0 0 39 -3,-2.0 2,-0.6 61,-0.3 61,-0.4 -0.481 55.8-151.6 -77.5 132.1 23.0 43.8 26.1 131 178 A E - 0 0 145 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5,-0.2 -0.369 33.4-108.4 -71.3 160.3 4.9 26.2 24.5 279 328 A Q H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.890 122.3 53.5 -56.1 -36.8 4.1 26.4 20.8 280 329 A E H > S+ 0 0 164 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 108.9 46.1 -67.7 -43.0 1.0 28.3 21.8 281 330 A E H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 112.2 52.7 -67.7 -38.0 2.8 30.9 23.8 282 331 A Q H X S+ 0 0 34 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.898 107.5 50.5 -62.6 -42.0 5.4 31.3 21.1 283 332 A R H X S+ 0 0 63 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.923 109.6 51.2 -66.9 -39.0 2.7 31.9 18.5 284 333 A K H X S+ 0 0 77 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.922 108.7 50.7 -62.3 -44.1 1.1 34.5 20.7 285 334 A L H X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 112.7 48.2 -60.7 -39.5 4.5 36.3 21.1 286 335 A E H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 113.1 45.6 -67.0 -48.1 4.9 36.2 17.3 287 336 A E H X S+ 0 0 70 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.893 113.5 49.4 -63.5 -40.8 1.4 37.6 16.7 288 337 A D H X S+ 0 0 91 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.918 110.3 51.2 -65.8 -40.4 1.8 40.3 19.3 289 338 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.887 104.0 58.1 -67.6 -34.3 5.2 41.3 17.9 290 339 A L H X S+ 0 0 17 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.952 111.7 41.4 -58.1 -45.4 3.7 41.6 14.4 291 340 A V H X S+ 0 0 69 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.930 112.7 54.2 -67.9 -46.0 1.2 44.2 15.7 292 341 A E H >X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.948 111.8 44.5 -50.7 -52.3 3.8 45.9 17.8 293 342 A V H 3X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.881 104.4 62.3 -64.7 -37.4 6.1 46.4 14.9 294 343 A S H 3< S+ 0 0 40 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.843 114.0 36.4 -60.3 -31.7 3.3 47.5 12.5 295 344 A R H XX S+ 0 0 74 -4,-1.4 3,-1.3 -3,-0.5 4,-0.5 0.906 116.4 49.2 -85.9 -48.2 2.8 50.5 14.8 296 345 A Y H >X S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.3 4,-0.8 0.807 98.6 70.1 -66.8 -24.9 6.4 51.2 15.9 297 346 A A H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.3 3,-0.8 0.845 89.9 62.9 -57.1 -32.9 7.5 51.1 12.2 298 347 A L H <> S+ 0 0 1 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.3 0.847 95.0 59.6 -61.4 -33.6 5.5 54.4 11.8 299 348 A A H < S+ 0 0 22 -4,-1.6 3,-0.8 1,-0.2 4,-0.4 0.929 109.5 52.3 -64.1 -42.1 17.6 69.1 9.8 311 360 A Q H >< S+ 0 0 52 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.890 102.7 60.0 -60.4 -38.3 20.1 67.5 7.4 312 361 A A H >< S+ 0 0 23 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.800 95.1 62.9 -61.0 -27.8 18.6 69.6 4.6 313 362 A S T << S+ 0 0 63 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.627 109.9 39.7 -74.1 -12.6 19.6 72.7 6.5 314 363 A M T < S+ 0 0 146 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.3 0.227 111.1 73.5-117.5 12.0 23.2 71.8 6.2 315 364 A S < + 0 0 24 -3,-1.1 5,-0.0 -4,-0.2 -3,-0.0 -0.792 42.4 173.1-127.1 160.8 23.1 70.5 2.6 316 365 A T S S- 0 0 109 -2,-0.3 3,-0.2 5,-0.0 5,-0.1 0.336 74.8 -16.0-126.2 -88.3 22.8 71.6 -1.0 317 366 A I S S+ 0 0 136 1,-0.1 3,-0.1 3,-0.1 -73,-0.0 0.332 106.4 86.9-113.8 7.9 23.1 69.3 -3.9 318 367 A E S S- 0 0 100 1,-0.3 2,-0.3 -74,-0.0 -1,-0.1 0.699 103.8 -0.2 -84.8 -21.6 24.7 66.1 -2.5 319 368 A F S S- 0 0 27 -3,-0.2 2,-1.9 -7,-0.1 -1,-0.3 -0.919 70.7-116.0-167.3 139.9 21.5 64.4 -1.4 320 369 A G > + 0 0 2 -75,-2.5 4,-2.6 -2,-0.3 5,-0.2 -0.518 44.6 162.2 -83.0 70.9 17.8 65.3 -1.6 321 370 A Y H > S+ 0 0 44 -2,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.869 74.5 46.9 -59.8 -40.0 17.2 65.4 2.2 322 371 A L H > S+ 0 0 75 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 112.8 50.4 -71.4 -38.0 14.0 67.4 2.0 323 372 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.925 111.2 49.2 -60.4 -46.6 12.7 65.1 -0.8 324 373 A Y H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 108.1 54.0 -60.5 -43.0 13.6 62.1 1.4 325 374 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 108.6 48.9 -56.5 -48.4 11.8 63.6 4.4 326 375 A Q H X S+ 0 0 58 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.909 108.5 53.7 -63.7 -37.9 8.6 64.1 2.3 327 376 A S H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.2 47.7 -58.0 -47.1 8.9 60.4 1.1 328 377 A R H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.923 113.4 47.1 -63.9 -44.2 9.1 59.2 4.7 329 378 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.912 110.9 51.7 -68.4 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49.8 10.1