==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-06 2GK9 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4-PHOSPHATE 5-KINASE, TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.UPPENBERG,M.HOGBOM,D.OGG,C.ARROWSMITH,H.BERGLUND, . 988 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 65 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 2 2 1 0 0 4 2 3 1 0 0 1 2 2 1 2 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 9 9 1 0 9 5 3 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 3 2 1 0 0 0 0 0 1 1 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 45 A D > 0 0 158 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 101.6 19.4 21.9 -12.1 2 46 A P H > + 0 0 78 0, 0.0 4,-0.9 0, 0.0 144,-0.1 0.919 360.0 24.4 -64.7 -59.2 22.6 21.2 -14.2 3 47 A L H > S+ 0 0 33 2,-0.2 4,-2.3 3,-0.2 3,-0.3 0.950 124.1 50.5 -73.3 -51.3 24.9 19.0 -12.1 4 48 A V H > S+ 0 0 20 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.927 114.6 45.4 -51.3 -49.8 22.4 17.4 -9.9 5 49 A G H X S+ 0 0 11 -4,-1.7 4,-1.0 1,-0.3 -1,-0.3 0.742 111.9 51.8 -66.2 -27.0 20.3 16.5 -12.9 6 50 A V H X S+ 0 0 0 -4,-0.9 4,-1.4 -3,-0.3 -1,-0.3 0.744 102.6 63.3 -75.6 -26.5 23.5 15.3 -14.6 7 51 A F H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 102.5 46.3 -60.4 -48.4 24.1 13.3 -11.4 8 52 A L H X S+ 0 0 28 -4,-1.4 4,-3.1 1,-0.2 5,-0.4 0.871 103.4 62.7 -69.1 -36.3 20.9 11.1 -11.9 9 53 A W H X S+ 0 0 34 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.923 111.8 38.3 -50.8 -47.6 21.7 10.5 -15.6 10 54 A G H X S+ 0 0 0 -4,-1.4 4,-4.6 2,-0.2 5,-0.2 0.916 112.5 56.5 -71.4 -45.4 24.9 8.7 -14.5 11 55 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.954 114.9 38.8 -48.7 -58.4 23.3 7.1 -11.5 12 56 A A H X S+ 0 0 27 -4,-3.1 4,-3.8 2,-0.2 5,-0.3 0.966 115.7 52.8 -54.2 -56.8 20.7 5.5 -13.7 13 57 A H H X S+ 0 0 19 -4,-2.7 4,-0.8 -5,-0.4 -2,-0.2 0.917 114.8 42.8 -45.7 -52.8 23.2 4.8 -16.5 14 58 A S H >X S+ 0 0 2 -4,-4.6 4,-4.5 2,-0.2 3,-2.1 0.986 116.1 45.0 -58.2 -63.5 25.4 3.1 -13.9 15 59 A I H 3X S+ 0 0 3 -4,-3.2 4,-0.6 1,-0.3 -1,-0.2 0.826 119.6 44.3 -50.7 -35.4 22.6 1.1 -12.2 16 60 A N H 3< S+ 0 0 69 -4,-3.8 -1,-0.3 -5,-0.3 -2,-0.2 0.549 118.5 44.6 -86.3 -11.0 21.3 0.3 -15.7 17 61 A E H X< S+ 0 0 28 -3,-2.1 3,-1.4 -4,-0.8 4,-0.5 0.800 109.0 53.1 -96.9 -40.8 24.9 -0.5 -16.8 18 62 A L H >< S+ 0 0 0 -4,-4.5 3,-0.9 1,-0.2 -3,-0.2 0.756 93.3 77.8 -59.7 -26.6 25.9 -2.5 -13.7 19 63 A S T 3< S+ 0 0 65 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.1 0.653 94.8 46.3 -63.6 -19.3 22.8 -4.6 -14.3 20 64 A Q T < S+ 0 0 107 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.655 91.1 87.5 -97.9 -20.1 24.5 -6.5 -17.2 21 65 A V S < S- 0 0 7 -3,-0.9 -4,-0.0 -4,-0.5 781,-0.0 -0.730 85.9-118.8 -86.4 118.3 27.9 -7.2 -15.6 22 66 A P - 0 0 73 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.333 29.9-113.5 -57.7 125.1 27.7 -10.5 -13.6 23 67 A P - 0 0 93 0, 0.0 -4,-0.0 0, 0.0 39,-0.0 -0.411 37.5-123.9 -62.0 131.9 28.4 -9.9 -9.9 24 68 A P - 0 0 62 0, 0.0 3,-0.1 0, 0.0 275,-0.1 0.222 5.4-123.8 -67.5-169.5 31.6 -11.6 -9.0 25 69 A V S S+ 0 0 118 273,-0.5 2,-0.3 1,-0.3 274,-0.1 0.628 94.7 16.1-107.2 -27.0 32.3 -14.2 -6.3 26 70 A M S S- 0 0 27 272,-0.4 2,-0.4 225,-0.1 -1,-0.3 -0.943 77.2-124.5-150.3 126.9 35.0 -12.3 -4.4 27 71 A L - 0 0 25 -2,-0.3 271,-0.0 -3,-0.1 5,-0.0 -0.552 30.2-142.9 -73.0 124.3 35.9 -8.6 -4.6 28 72 A L >> - 0 0 12 -2,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.569 18.9-115.1 -92.9 154.0 39.6 -8.2 -5.5 29 73 A P G >4 S+ 0 0 19 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.873 114.8 59.3 -52.3 -45.1 41.9 -5.5 -4.1 30 74 A D G >4 S+ 0 0 36 1,-0.3 3,-2.5 2,-0.2 -3,-0.0 0.805 91.8 70.8 -57.2 -28.9 42.4 -3.8 -7.4 31 75 A D G X4 S+ 0 0 16 -3,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.866 90.1 60.5 -50.8 -37.9 38.6 -3.4 -7.5 32 76 A F G << S+ 0 0 23 -3,-2.1 -1,-0.3 -4,-0.6 -2,-0.2 0.544 106.6 46.2 -70.0 -6.5 39.2 -0.8 -4.7 33 77 A K G < S+ 0 0 99 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.036 95.4 112.7-120.8 20.0 41.3 1.1 -7.3 34 78 A A < + 0 0 3 -3,-2.0 26,-1.7 766,-0.1 2,-0.3 -0.511 37.3 170.6 -92.6 162.4 38.7 0.7 -10.1 35 79 A S E -AB 59 799A 18 764,-2.2 764,-3.1 24,-0.2 2,-0.3 -0.967 22.3-149.8-164.5 158.6 36.6 3.4 -11.8 36 80 A S E -AB 58 798A 9 22,-1.9 22,-1.6 -2,-0.3 2,-0.3 -0.808 20.7-173.8-140.9 96.9 34.2 3.8 -14.7 37 81 A K E -AB 57 797A 51 760,-2.1 760,-3.4 -2,-0.3 2,-0.4 -0.665 9.9-162.1-100.2 148.4 34.0 7.2 -16.4 38 82 A I E -AB 56 796A 4 18,-3.0 18,-2.0 -2,-0.3 2,-0.6 -0.987 1.5-166.9-128.4 121.9 31.7 8.5 -19.2 39 83 A K E -AB 55 795A 73 756,-1.7 756,-1.8 -2,-0.4 2,-0.5 -0.933 14.4-173.9-109.4 109.0 32.4 11.5 -21.3 40 84 A V E + B 0 794A 9 14,-1.2 14,-0.4 -2,-0.6 2,-0.3 -0.899 11.8 161.6-109.6 131.4 29.3 12.6 -23.2 41 85 A N E + B 0 793A 31 752,-2.2 752,-0.7 -2,-0.5 2,-0.4 -0.846 7.9 177.7-152.8 111.2 29.3 15.3 -25.8 42 86 A N - 0 0 33 10,-0.7 2,-0.8 -2,-0.3 3,-0.2 -0.886 25.2-132.0-111.6 144.8 26.7 16.0 -28.5 43 87 A H S S- 0 0 129 -2,-0.4 748,-0.9 1,-0.2 -2,-0.0 -0.846 83.7 -21.0-103.5 109.6 26.7 18.9 -31.0 44 88 A L S S+ 0 0 76 -2,-0.8 -1,-0.2 746,-0.2 746,-0.2 0.791 104.4 121.6 72.5 31.1 23.5 20.8 -31.4 45 89 A F S S- 0 0 48 1,-0.3 2,-0.3 -3,-0.2 747,-0.1 0.954 70.9 -18.7 -92.9 -76.8 21.4 17.7 -30.0 46 90 A H + 0 0 62 4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.776 44.2 164.4-118.7 173.9 19.3 18.5 -26.9 47 91 A R + 0 0 204 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.282 52.8 101.4-148.6 -17.3 19.4 21.2 -24.2 48 92 A E S S- 0 0 165 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.736 106.3 -10.4 -57.6 -36.0 16.0 20.8 -22.5 49 93 A N S S+ 0 0 114 1,-0.3 -1,-0.2 2,-0.1 -44,-0.1 0.667 123.1 53.9-127.5 -53.3 17.2 18.9 -19.4 50 94 A L S S- 0 0 24 1,-0.1 -1,-0.3 -44,-0.0 -4,-0.1 -0.803 80.7-111.4-104.4 133.4 20.8 17.7 -19.6 51 95 A P - 0 0 37 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.112 18.8-130.4 -46.4 164.8 23.9 19.9 -20.4 52 96 A S S S+ 0 0 38 1,-0.2 -10,-0.7 -11,-0.1 -7,-0.1 0.496 100.4 42.2-100.0 -7.7 25.7 19.4 -23.7 53 97 A H S S+ 0 0 135 -12,-0.2 93,-0.7 2,-0.1 94,-0.5 -0.267 82.9 131.8-137.4 45.7 29.2 19.1 -22.2 54 98 A F B -L 145 0B 8 -14,-0.4 -14,-1.2 -3,-0.3 2,-0.3 -0.476 32.7-162.1 -98.1 169.6 28.9 17.0 -19.1 55 99 A K E -A 39 0A 61 89,-1.0 2,-0.3 -16,-0.2 -16,-0.2 -0.904 3.6-151.7-138.6 172.8 30.9 14.0 -17.7 56 100 A F E -A 38 0A 2 -18,-2.0 -18,-3.0 -2,-0.3 2,-0.4 -0.986 6.2-171.0-151.3 136.8 30.3 11.3 -15.1 57 101 A K E -AC 37 142A 42 85,-0.6 85,-2.5 -2,-0.3 2,-0.6 -0.959 4.0-166.8-134.0 116.1 32.6 9.2 -12.9 58 102 A E E -AC 36 141A 6 -22,-1.6 -22,-1.9 -2,-0.4 2,-0.4 -0.897 20.5-141.5 -98.9 119.1 31.4 6.2 -10.8 59 103 A Y E -A 35 0A 20 81,-2.3 81,-0.3 -2,-0.6 -24,-0.2 -0.667 69.0 -17.4 -88.8 132.5 34.0 5.1 -8.2 60 104 A C S > S- 0 0 1 -26,-1.7 4,-1.7 -2,-0.4 5,-0.3 0.910 70.3-170.3 41.3 74.3 34.6 1.4 -7.5 61 105 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.936 76.4 48.6 -59.1 -51.9 31.4 0.1 -9.0 62 106 A Q H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 109.3 50.5 -59.1 -54.4 31.7 -3.5 -7.8 63 107 A V H > S+ 0 0 0 1,-0.3 4,-3.9 2,-0.3 5,-0.3 0.925 116.8 40.4 -49.2 -56.1 32.4 -2.7 -4.1 64 108 A F H X S+ 0 0 3 -4,-1.7 4,-1.2 2,-0.3 -1,-0.3 0.827 110.8 59.6 -65.6 -32.0 29.5 -0.3 -3.8 65 109 A R H X S+ 0 0 33 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.3 0.941 114.7 36.5 -52.7 -45.6 27.6 -2.8 -5.9 66 110 A N H X S+ 0 0 32 -4,-2.8 4,-2.2 2,-0.2 -2,-0.3 0.880 111.7 56.8 -77.2 -42.4 28.3 -5.2 -3.0 67 111 A L H < S+ 0 0 0 -4,-3.9 4,-0.3 -5,-0.2 -1,-0.2 0.674 110.3 50.2 -65.0 -15.3 28.1 -2.6 -0.2 68 112 A R H ><>S+ 0 0 2 -4,-1.2 3,-1.6 -5,-0.3 5,-0.9 0.937 110.4 43.1 -83.6 -60.5 24.5 -2.0 -1.5 69 113 A D H ><5S+ 0 0 121 -4,-1.8 3,-0.8 1,-0.3 -2,-0.2 0.810 114.9 55.1 -52.1 -31.4 23.2 -5.5 -1.7 70 114 A R T 3<5S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.696 105.6 50.0 -77.1 -22.3 24.9 -6.0 1.7 71 115 A F T < 5S- 0 0 9 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.221 123.2-106.6 -97.2 12.1 23.0 -3.0 3.1 72 116 A G T < 5S+ 0 0 58 -3,-0.8 2,-0.3 -4,-0.2 -3,-0.2 0.977 75.7 132.7 61.3 61.0 19.7 -4.5 1.8 73 117 A I < - 0 0 16 -5,-0.9 2,-0.3 65,-0.0 -1,-0.2 -0.862 49.4-140.0-144.9 105.6 19.1 -2.1 -1.1 74 118 A D > - 0 0 103 -2,-0.3 4,-3.4 1,-0.1 5,-0.4 -0.520 21.5-125.1 -69.7 128.3 18.2 -3.4 -4.6 75 119 A D H > S+ 0 0 23 1,-0.3 4,-2.5 -2,-0.3 -1,-0.1 0.781 116.4 49.2 -40.4 -41.0 20.0 -1.4 -7.4 76 120 A Q H > S+ 0 0 92 2,-0.2 4,-3.6 3,-0.2 5,-0.4 0.973 113.9 44.6 -63.0 -55.1 16.5 -0.8 -8.8 77 121 A D H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.970 116.9 45.5 -48.0 -61.0 15.3 0.3 -5.4 78 122 A Y H X S+ 0 0 2 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.877 118.5 47.2 -47.0 -42.2 18.5 2.3 -5.0 79 123 A L H >X>S+ 0 0 15 -4,-2.5 4,-1.5 -5,-0.4 3,-1.3 0.997 110.4 44.6 -67.3 -65.9 17.9 3.6 -8.6 80 124 A V H 3X5S+ 0 0 56 -4,-3.6 4,-1.5 1,-0.3 5,-0.4 0.824 115.4 48.3 -53.7 -38.8 14.2 4.5 -8.6 81 125 A S H 3<5S+ 0 0 18 -4,-2.0 16,-0.7 -5,-0.4 17,-0.5 0.759 114.5 45.6 -76.0 -23.7 14.3 6.4 -5.3 82 126 A L H <<5S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.637 133.1 11.9 -91.4 -17.2 17.4 8.3 -6.2 83 127 A T H <5S+ 0 0 29 -4,-1.5 -3,-0.2 -3,-0.2 -2,-0.2 0.663 101.1 83.6-132.7 -38.8 16.4 9.4 -9.7 84 128 A R S < - 0 0 2 5,-2.6 3,-0.6 -9,-0.2 -14,-0.1 0.046 25.2-106.2 -50.4 167.1 15.9 12.0 -1.9 97 145 A Y T 3 S+ 0 0 146 -16,-0.7 -1,-0.1 -12,-0.5 -15,-0.1 0.680 123.0 51.8 -71.3 -20.0 12.2 12.3 -2.8 98 146 A D T 3 S- 0 0 72 -17,-0.5 -1,-0.2 -13,-0.1 -2,-0.1 0.613 104.2-130.0 -87.5 -16.1 11.5 9.1 -0.9 99 147 A R S < S+ 0 0 112 -3,-0.6 -2,-0.1 2,-0.2 63,-0.1 0.712 86.9 102.5 66.3 19.1 13.2 10.4 2.2 100 148 A T S S+ 0 0 32 -19,-0.1 57,-2.7 1,-0.1 2,-0.3 0.809 73.5 43.4 -95.3 -42.9 15.0 7.1 2.1 101 149 A L E -D 156 0A 7 55,-0.2 -5,-2.6 -20,-0.2 2,-0.4 -0.758 62.0-153.4-113.1 154.6 18.4 8.1 0.7 102 150 A V E -D 155 0A 10 53,-4.4 53,-4.3 -2,-0.3 2,-0.5 -0.977 0.8-163.8-122.9 138.8 20.9 11.0 1.3 103 151 A I E -D 154 0A 0 -10,-2.6 51,-0.3 -2,-0.4 2,-0.2 -0.802 15.1-173.3-124.5 91.2 23.4 12.4 -1.2 104 152 A K E -D 153 0A 74 49,-1.8 49,-3.3 -2,-0.5 2,-0.3 -0.514 19.6-128.9 -81.6 148.1 26.0 14.5 0.5 105 153 A E E -D 152 0A 106 47,-0.2 2,-0.3 -2,-0.2 47,-0.2 -0.698 28.8-176.6 -89.3 150.2 28.6 16.5 -1.4 106 154 A V - 0 0 11 45,-2.7 45,-0.4 -2,-0.3 5,-0.1 -0.996 26.8-105.5-151.2 144.0 32.3 16.1 -0.4 107 155 A S > - 0 0 71 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.232 37.4-107.8 -64.3 154.7 35.6 17.6 -1.4 108 156 A S H > S+ 0 0 52 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.807 127.0 50.8 -52.2 -32.5 38.1 15.7 -3.6 109 157 A E H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.921 101.4 60.2 -69.8 -45.8 40.1 15.4 -0.4 110 158 A D H > S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.852 108.4 47.2 -42.8 -39.3 37.1 14.1 1.4 111 159 A I H X S+ 0 0 10 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.903 99.2 64.8 -73.7 -44.7 37.2 11.3 -1.3 112 160 A A H X S+ 0 0 42 -4,-1.7 4,-0.7 1,-0.3 3,-0.4 0.895 105.6 46.2 -48.6 -48.4 40.9 10.5 -0.9 113 161 A D H >X S+ 0 0 80 -4,-1.8 4,-3.5 1,-0.2 3,-1.6 0.922 106.1 61.4 -54.4 -45.2 40.2 9.4 2.6 114 162 A M H 3X S+ 0 0 7 -4,-1.0 4,-1.8 1,-0.3 -2,-0.2 0.800 97.1 57.3 -56.7 -34.9 37.2 7.4 1.4 115 163 A H H 3X S+ 0 0 60 -4,-1.7 4,-0.6 -3,-0.4 -1,-0.3 0.726 112.9 40.5 -71.5 -22.5 39.4 5.3 -0.9 116 164 A S H XX S+ 0 0 70 -3,-1.6 3,-1.1 -4,-0.7 4,-0.7 0.895 113.0 55.9 -79.4 -59.5 41.4 4.3 2.1 117 165 A N H 3X S+ 0 0 8 -4,-3.5 4,-1.4 1,-0.3 -2,-0.2 0.702 99.7 62.0 -44.6 -28.4 38.2 4.0 4.1 118 166 A L H 3X S+ 0 0 3 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.934 96.6 56.2 -67.6 -46.7 36.7 1.6 1.6 119 167 A S H S+ 0 0 0 -4,-2.0 5,-4.7 1,-0.3 -2,-0.2 0.781 106.5 53.9 -54.2 -34.2 31.0 -4.6 7.0 126 174 A V H ><5S+ 0 0 46 -4,-2.1 3,-1.0 3,-0.2 -1,-0.3 0.950 110.3 47.3 -63.1 -49.4 31.3 -8.2 5.7 127 175 A K H 3<5S+ 0 0 168 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.1 0.940 117.2 39.7 -56.9 -56.3 32.2 -9.4 9.3 128 176 A C T 3<5S- 0 0 16 -4,-2.4 3,-0.3 -5,-0.1 -1,-0.3 0.333 116.6-113.4 -78.4 6.3 29.4 -7.5 11.1 129 177 A H T < 5 - 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