==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-06 2IF8 . COMPND 2 MOLECULE: INOSITOL POLYPHOSPHATE MULTIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR W.HOLMES,G.JOGL . 511 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 68.3 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 . 97 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 1 3 3 1 0 2 2 1 0 1 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 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 1 3 2 4 4 2 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 2 0 0 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 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 26 A G 0 0 85 0, 0.0 51,-0.2 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 63.7 15.3 71.0 32.5 2 27 A L + 0 0 86 46,-0.1 47,-2.4 49,-0.1 2,-0.3 0.794 360.0 45.3 -74.8 -30.9 13.3 73.5 34.5 3 28 A L E -A 48 0A 73 45,-0.2 2,-0.4 47,-0.0 45,-0.2 -0.868 62.6-152.5-127.3 150.1 13.5 71.7 37.8 4 29 A I E -A 47 0A 76 43,-2.9 43,-2.3 -2,-0.3 2,-0.6 -0.923 11.1-149.8-118.6 141.6 16.1 69.8 39.8 5 30 A F E -A 46 0A 101 -2,-0.4 41,-0.2 41,-0.2 31,-0.0 -0.910 17.5-179.3-119.7 102.8 15.2 67.0 42.2 6 31 A K E -A 45 0A 57 39,-2.1 39,-2.5 -2,-0.6 2,-0.4 -0.729 39.5-103.1 -95.7 145.4 17.5 66.7 45.3 7 32 A P E -A 44 0A 49 0, 0.0 2,-0.3 0, 0.0 37,-0.3 -0.586 49.1-114.2 -67.3 127.5 17.1 64.0 47.9 8 33 A A - 0 0 21 35,-2.5 35,-0.2 -2,-0.4 3,-0.1 -0.461 30.4-169.9 -71.1 123.0 15.5 65.9 50.8 9 34 A F > - 0 0 111 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.946 27.1-130.1-102.6 134.2 17.4 66.2 54.0 10 35 A P H > S+ 0 0 108 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.889 105.8 52.6 -51.4 -44.1 15.3 67.6 56.8 11 36 A Q H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 218,-0.1 0.904 112.8 44.2 -61.4 -42.1 17.8 70.3 57.7 12 37 A E H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.913 112.5 51.7 -66.6 -46.4 18.0 71.6 54.1 13 38 A L H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.964 111.1 49.2 -50.6 -54.7 14.2 71.5 53.7 14 39 A E H X S+ 0 0 110 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.832 108.5 52.9 -54.2 -40.2 13.9 73.5 56.9 15 40 A F H X S+ 0 0 4 -4,-1.7 4,-2.2 212,-0.2 5,-0.2 0.948 109.5 47.5 -66.1 -48.5 16.4 76.1 55.8 16 41 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.885 114.4 47.9 -54.9 -43.5 14.6 76.8 52.5 17 42 A K H < S+ 0 0 114 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.854 110.8 51.4 -65.2 -36.8 11.3 77.0 54.4 18 43 A A H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.873 120.1 34.0 -72.2 -34.2 12.8 79.4 56.9 19 44 A I H < 0 0 43 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.951 360.0 360.0 -79.2 -54.0 14.2 81.7 54.3 20 45 A Q < 0 0 88 -4,-2.6 12,-0.0 -5,-0.2 0, 0.0 -0.334 360.0 360.0 -97.1 360.0 11.7 81.6 51.4 21 ! 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 22 58 A G 0 0 129 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.3 19.4 98.5 49.5 23 59 A D - 0 0 48 152,-0.1 150,-0.1 1,-0.1 149,-0.0 -0.345 360.0-106.9 -74.9 148.4 21.1 95.1 49.9 24 60 A A - 0 0 19 148,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.504 37.7-117.4 -71.0 138.8 19.9 92.0 48.2 25 61 A P > - 0 0 70 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.453 23.8-109.1 -76.6 154.4 18.2 89.5 50.5 26 62 A L G >> S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.798 114.2 59.6 -47.9 -38.3 19.6 86.0 51.0 27 63 A C G 34 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.722 92.5 65.7 -73.4 -21.3 16.9 84.2 49.0 28 64 A S G <4 S+ 0 0 40 -3,-1.5 -1,-0.3 1,-0.2 183,-0.3 0.669 102.8 48.6 -76.1 -12.9 17.7 86.1 45.9 29 65 A W T <4 S+ 0 0 4 -3,-1.6 195,-2.5 -4,-0.4 -1,-0.2 0.590 103.4 78.9 -90.9 -15.9 21.0 84.3 45.8 30 66 A M S < S- 0 0 1 -4,-0.5 195,-0.1 -3,-0.4 2,-0.1 -0.519 91.6 -98.1 -93.2 157.7 19.4 80.9 46.4 31 67 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.428 52.6 -95.8 -62.8 149.7 17.6 78.6 43.9 32 68 A T - 0 0 15 -4,-0.1 16,-2.3 -2,-0.1 2,-0.5 -0.571 36.5-139.4 -67.3 123.4 13.8 79.0 44.1 33 69 A Y E +B 47 0A 50 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.786 25.5 176.6 -82.8 130.8 12.5 76.3 46.4 34 70 A L E - 0 0 73 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.726 44.1 -84.1-111.8 -27.6 9.3 74.9 44.9 35 71 A G E -B 46 0A 20 11,-1.1 11,-2.8 2,-0.0 -1,-0.4 -0.983 47.9 -65.2 156.6-161.2 8.2 72.1 47.1 36 72 A V E -B 45 0A 59 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.922 29.1-152.0-122.0 150.8 8.7 68.4 47.7 37 73 A L E -B 44 0A 67 7,-1.9 7,-2.3 -2,-0.3 2,-0.6 -0.986 9.9-147.4-118.0 132.3 8.0 65.3 45.6 38 74 A N E B 43 0A 101 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.929 360.0 360.0-101.2 120.6 7.3 61.9 47.2 39 75 A E 0 0 145 3,-3.2 3,-0.3 -2,-0.6 -2,-0.0 -0.382 360.0 360.0 -87.0 360.0 8.5 59.0 45.0 40 ! 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 41 111 A S 0 0 141 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 153.8 9.1 56.6 49.9 42 112 A K - 0 0 102 -3,-0.3 -3,-3.2 2,-0.0 2,-0.4 -0.929 360.0-148.3-102.3 133.6 12.0 58.8 48.8 43 113 A Q E - B 0 38A 76 -2,-0.5 -35,-2.5 -5,-0.2 2,-0.4 -0.877 12.6-165.6-104.7 137.3 11.4 62.5 49.3 44 114 A Y E -AB 7 37A 44 -7,-2.3 -7,-1.9 -2,-0.4 2,-0.3 -0.978 19.9-130.7-123.3 133.3 13.0 65.1 46.9 45 115 A L E -AB 6 36A 0 -39,-2.5 -39,-2.1 -2,-0.4 2,-0.6 -0.651 24.7-144.3 -69.1 133.6 13.5 68.9 47.2 46 116 A V E +AB 5 35A 14 -11,-2.8 -12,-3.1 -2,-0.3 -11,-1.1 -0.935 28.8 169.7-103.6 122.2 12.2 70.5 44.0 47 117 A L E -AB 4 33A 11 -43,-2.3 -43,-2.9 -2,-0.6 -14,-0.2 -0.921 40.7 -94.7-127.5 151.9 14.3 73.5 43.1 48 118 A E E -A 3 0A 16 -16,-2.3 2,-0.8 -2,-0.3 -45,-0.2 -0.424 45.3-113.9 -57.0 140.4 14.6 75.7 40.1 49 119 A N > - 0 0 26 -47,-2.4 3,-1.3 1,-0.1 -1,-0.1 -0.766 20.7-160.5 -82.5 110.3 17.4 74.5 37.7 50 120 A L T 3 S+ 0 0 19 -2,-0.8 -1,-0.1 1,-0.2 -48,-0.0 0.715 89.8 60.4 -62.9 -23.5 20.1 77.2 37.7 51 121 A L T > S+ 0 0 60 -50,-0.1 3,-1.8 2,-0.1 -1,-0.2 0.599 76.9 120.5 -78.7 -15.8 21.4 75.7 34.4 52 122 A Y T < S+ 0 0 136 -3,-1.3 3,-0.1 1,-0.2 -50,-0.1 -0.264 74.7 19.4 -56.0 130.2 18.1 76.4 32.6 53 123 A G T 3 S+ 0 0 40 1,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.387 92.4 120.8 91.0 -3.4 18.5 78.7 29.6 54 124 A F < - 0 0 27 -3,-1.8 -1,-0.3 1,-0.2 165,-0.1 -0.797 47.0-161.8 -91.6 136.3 22.2 78.3 29.1 55 125 A S S S+ 0 0 55 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.961 90.9 6.3 -73.1 -58.3 23.4 76.9 25.8 56 126 A K S S- 0 0 64 140,-0.1 139,-2.9 2,-0.0 -1,-0.2 -0.724 83.8-163.5-126.5 76.6 26.8 75.8 27.0 57 127 A P E -C 194 0B 22 0, 0.0 2,-0.5 0, 0.0 137,-0.2 -0.463 4.5-159.0 -67.2 132.4 27.0 76.3 30.8 58 128 A N E -C 193 0B 0 135,-2.7 135,-1.6 -2,-0.2 2,-0.4 -0.975 19.3-158.0-111.0 120.5 30.4 76.4 32.4 59 129 A I E -CD 192 101B 30 42,-2.7 42,-2.3 -2,-0.5 2,-0.4 -0.857 19.6-178.1-119.4 133.3 30.1 75.6 36.1 60 130 A L E -CD 191 100B 0 131,-2.3 131,-2.9 -2,-0.4 2,-0.6 -0.997 9.7-160.6-128.8 128.4 32.3 76.2 39.2 61 131 A D E -CD 190 99B 32 38,-2.6 37,-3.2 -2,-0.4 38,-1.2 -0.944 9.7-177.2-110.7 113.3 31.5 75.0 42.7 62 132 A I E -CD 189 97B 0 127,-2.5 127,-2.7 -2,-0.6 2,-0.3 -0.947 19.0-141.0-110.5 116.2 33.3 76.8 45.6 63 133 A K E -CD 188 96B 20 33,-2.4 33,-2.0 -2,-0.5 2,-0.4 -0.602 22.0-139.4 -71.2 133.7 32.7 75.6 49.2 64 134 A L E + D 0 95B 0 123,-3.2 122,-0.6 -2,-0.3 123,-0.5 -0.786 50.0 45.5-102.3 136.9 32.5 78.5 51.7 65 135 A G - 0 0 0 29,-3.5 29,-0.2 -2,-0.4 177,-0.2 -0.097 59.0-123.6 122.3 148.3 33.9 78.7 55.2 66 136 A K S S+ 0 0 63 175,-0.4 2,-0.4 27,-0.1 28,-0.1 0.891 103.0 58.6 -78.1 -48.8 37.0 78.0 57.3 67 137 A T - 0 0 58 1,-0.1 119,-0.4 23,-0.1 -1,-0.1 -0.723 66.9-173.1 -83.8 127.6 35.1 75.8 59.7 68 138 A L + 0 0 5 -2,-0.4 2,-0.3 13,-0.3 -1,-0.1 0.255 56.2 72.2-113.0 10.9 33.5 72.9 57.9 69 139 A Y - 0 0 60 9,-0.1 2,-0.1 12,-0.1 117,-0.1 -0.907 66.5-138.6-123.4 154.9 31.4 71.2 60.6 70 140 A D > - 0 0 22 -2,-0.3 3,-1.5 115,-0.1 160,-0.1 -0.419 37.8 -85.3-104.7 178.8 28.2 72.3 62.3 71 141 A S T 3 S+ 0 0 91 1,-0.3 158,-0.0 -2,-0.1 -2,-0.0 0.761 125.9 43.7 -53.3 -29.7 26.8 72.3 65.9 72 142 A K T 3 S+ 0 0 161 2,-0.1 -1,-0.3 157,-0.0 2,-0.2 0.332 78.4 134.7-106.3 3.0 25.6 68.7 65.6 73 143 A A < - 0 0 23 -3,-1.5 5,-0.1 1,-0.1 -4,-0.1 -0.363 61.8-116.2 -60.3 123.4 28.5 67.0 63.8 74 144 A S >> - 0 0 71 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.340 26.3-119.1 -57.3 142.0 29.5 63.7 65.3 75 145 A L H 3> S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.765 111.0 63.4 -61.8 -26.6 33.0 64.0 66.7 76 146 A E H 3> S+ 0 0 166 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.904 114.4 32.0 -60.0 -43.7 34.3 61.3 64.4 77 147 A K H <> S+ 0 0 84 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.645 109.2 66.3 -95.3 -17.4 33.5 63.4 61.3 78 148 A R H X S+ 0 0 64 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.837 103.7 49.1 -62.3 -36.9 34.1 66.8 63.1 79 149 A E H X S+ 0 0 79 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.848 109.2 52.3 -71.5 -36.3 37.8 65.6 63.2 80 150 A R H X S+ 0 0 125 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.894 109.0 49.4 -59.4 -43.5 37.5 64.7 59.5 81 151 A M H X S+ 0 0 44 -4,-2.0 4,-1.3 1,-0.2 -13,-0.3 0.711 107.5 53.5 -75.6 -22.2 36.2 68.2 58.7 82 152 A K H X S+ 0 0 93 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.820 109.2 51.4 -70.7 -35.7 39.1 69.9 60.7 83 153 A R H X S+ 0 0 154 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.908 109.2 48.1 -69.9 -45.9 41.4 67.8 58.5 84 154 A V H X S+ 0 0 10 -4,-2.1 4,-0.5 1,-0.2 6,-0.3 0.884 114.0 48.3 -58.2 -43.4 39.9 68.9 55.2 85 155 A S H < S+ 0 0 13 -4,-1.3 6,-2.0 1,-0.2 3,-0.4 0.851 110.7 49.4 -67.7 -36.6 40.0 72.5 56.4 86 156 A E H < S+ 0 0 156 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.707 115.6 41.8 -81.3 -18.4 43.6 72.4 57.5 87 157 A T H < S+ 0 0 106 -4,-1.2 2,-0.2 -3,-0.2 -1,-0.2 0.311 113.3 51.2-110.8 2.3 45.0 70.8 54.3 88 158 A T S X S- 0 0 10 -4,-0.5 4,-0.6 -3,-0.4 3,-0.5 -0.710 99.7 -91.5-126.4-178.8 43.0 72.8 51.7 89 159 A T H >>S+ 0 0 0 44,-0.4 4,-2.7 -2,-0.2 5,-1.1 0.568 110.1 82.9 -73.3 -7.6 42.4 76.5 51.0 90 160 A S H >5S+ 0 0 0 -6,-0.3 4,-1.6 4,-0.2 -1,-0.2 0.974 93.1 41.5 -58.8 -54.2 39.3 76.3 53.2 91 161 A G H 45S+ 0 0 22 -6,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.733 126.6 32.7 -69.4 -24.8 41.2 76.7 56.5 92 162 A S H <5S+ 0 0 53 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.2 0.824 134.1 22.5 -98.8 -40.4 43.5 79.4 55.3 93 163 A L H <5S- 0 0 25 -4,-2.7 155,-0.3 2,-0.3 -3,-0.2 0.671 97.2-118.7-100.9 -23.1 41.4 81.4 52.7 94 164 A G S < - 0 0 18 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.944 14.1-146.3 -91.5 113.1 40.4 74.3 26.2 106 176 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.948 100.0 55.9 -46.0 -55.3 43.0 72.0 24.4 107 177 A S H >> S+ 0 0 75 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.921 111.8 41.0 -32.0 -74.0 45.7 74.4 25.6 108 178 A V H >> S+ 0 0 16 1,-0.2 3,-2.3 42,-0.2 4,-0.9 0.963 109.0 61.6 -35.7 -72.6 44.6 74.0 29.3 109 179 A L H 3< S+ 0 0 20 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.671 97.3 56.4 -32.8 -45.8 44.1 70.2 29.0 110 180 A N H << S+ 0 0 134 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.854 107.3 48.5 -63.7 -35.5 47.7 69.3 28.1 111 181 A Q H << S+ 0 0 174 -3,-2.3 2,-0.4 -4,-0.8 -1,-0.2 0.749 97.3 85.7 -74.2 -25.4 49.1 71.0 31.3 112 182 A L S < S- 0 0 21 -4,-0.9 5,-0.1 -3,-0.4 2,-0.0 -0.621 82.1-118.8 -87.8 130.0 46.6 69.3 33.6 113 183 A S > - 0 0 51 -2,-0.4 3,-1.8 1,-0.1 4,-0.3 -0.355 21.3-120.4 -65.5 145.3 47.3 65.8 35.0 114 184 A L G > S+ 0 0 137 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.680 107.9 66.2 -61.3 -24.8 44.9 63.0 34.1 115 185 A E G 3 S+ 0 0 136 1,-0.2 -1,-0.3 3,-0.0 16,-0.2 0.605 94.9 62.2 -75.5 -5.3 44.0 62.3 37.7 116 186 A Y G < S+ 0 0 48 -3,-1.8 13,-2.2 15,-0.1 2,-0.3 0.564 106.5 29.8 -96.4 -12.6 42.4 65.7 38.0 117 187 A Y E < -F 128 0B 27 -3,-0.8 2,-0.4 -4,-0.3 11,-0.2 -0.964 58.1-138.8-146.1 162.0 39.6 65.4 35.4 118 188 A E E -F 127 0B 115 9,-2.1 9,-2.8 -2,-0.3 2,-0.1 -0.994 26.6-177.2-119.6 127.7 37.2 63.1 33.6 119 189 A E - 0 0 89 -2,-0.4 2,-0.2 7,-0.2 7,-0.1 0.037 7.3-154.5 -99.1-152.4 36.6 63.5 29.9 120 190 A E - 0 0 71 3,-0.2 3,-0.4 -2,-0.1 5,-0.0 -0.794 24.9-135.5 175.4 145.9 34.3 61.8 27.4 121 191 A A S S+ 0 0 117 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.632 103.1 65.8 -83.1 -15.5 34.1 61.1 23.6 122 192 A D S S+ 0 0 131 3,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.620 109.4 18.1 -80.1 -11.3 30.4 62.1 23.6 123 193 A S - 0 0 34 -3,-0.4 -3,-0.2 2,-0.2 -1,-0.0 -0.929 67.1-113.9-154.7 168.4 31.1 65.7 24.4 124 194 A D S S+ 0 0 49 -2,-0.3 -20,-2.4 -5,-0.1 2,-0.3 0.225 82.2 103.2 -91.3 12.8 33.3 68.8 24.7 125 195 A Y E -E 103 0B 23 -22,-0.2 2,-0.4 -24,-0.0 -22,-0.3 -0.717 50.0-163.4-100.0 147.2 33.0 68.9 28.5 126 196 A I E -E 102 0B 0 -24,-3.2 -24,-2.0 -2,-0.3 2,-0.7 -0.957 15.6-140.1-115.5 144.7 35.5 67.9 31.3 127 197 A F E -EF 101 118B 71 -9,-2.8 -9,-2.1 -2,-0.4 2,-0.6 -0.926 14.5-155.3 -94.7 112.2 34.6 67.3 34.9 128 198 A I E -EF 100 117B 0 -28,-2.5 -28,-2.1 -2,-0.7 -11,-0.2 -0.813 26.5-140.9 -85.7 121.9 37.4 68.7 37.1 129 199 A N >> - 0 0 28 -13,-2.2 4,-1.2 -2,-0.6 3,-0.6 -0.096 20.4 -97.5 -89.9 177.5 37.2 66.7 40.3 130 200 A K H 3> S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.770 116.8 64.9 -58.3 -34.2 37.5 67.2 44.1 131 201 A L H 3> S+ 0 0 84 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.870 101.1 50.7 -59.6 -39.8 41.2 66.0 44.1 132 202 A Y H <4 S+ 0 0 9 -3,-0.6 4,-0.5 -16,-0.3 3,-0.4 0.934 112.6 46.1 -60.1 -49.8 42.1 69.1 42.0 133 203 A G H >< S+ 0 0 0 -4,-1.2 3,-0.9 -35,-0.2 -36,-0.4 0.892 111.3 50.7 -61.1 -45.8 40.3 71.4 44.4 134 204 A R H 3< S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.714 107.9 54.3 -63.3 -25.9 41.9 69.9 47.5 135 205 A S T 3< S+ 0 0 42 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.478 81.7 111.1 -94.1 -2.4 45.4 70.1 46.1 136 206 A R < - 0 0 36 -3,-0.9 2,-0.2 -4,-0.5 -47,-0.1 -0.395 58.0-143.8 -66.6 144.4 45.3 73.8 45.4 137 207 A T > - 0 0 56 -2,-0.1 4,-1.9 -49,-0.1 3,-0.1 -0.625 29.0-101.7-102.2 168.9 47.5 76.1 47.5 138 208 A D T 4 S+ 0 0 69 1,-0.2 4,-0.3 -2,-0.2 -1,-0.1 0.871 124.5 44.3 -53.2 -33.8 46.9 79.6 48.8 139 209 A Q T 4 S+ 0 0 145 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.754 117.9 38.6 -91.9 -22.8 49.1 80.8 46.0 140 210 A N T > S+ 0 0 51 -3,-0.1 4,-1.4 1,-0.1 3,-0.3 0.534 90.3 87.7-104.5 -4.6 47.9 78.7 43.1 141 211 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 5,-0.1 0.852 83.8 58.9 -61.2 -33.1 44.1 78.7 43.7 142 212 A S H > S+ 0 0 36 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.910 102.5 53.4 -68.2 -33.5 43.6 81.9 41.8 143 213 A D H > S+ 0 0 91 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.846 103.4 58.3 -62.3 -34.5 45.1 80.2 38.7 144 214 A A H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.884 106.6 47.2 -57.8 -40.0 42.5 77.5 39.3 145 215 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.871 110.0 52.8 -72.1 -36.7 39.8 80.2 39.0 146 216 A E H X S+ 0 0 79 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.890 104.2 56.0 -61.2 -47.5 41.4 81.6 35.8 147 217 A L H < S+ 0 0 28 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.854 103.1 58.0 -45.0 -44.9 41.4 78.1 34.3 148 218 A Y H < S+ 0 0 0 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 111.4 38.3 -55.9 -48.9 37.6 78.1 35.0 149 219 A F H < S+ 0 0 1 -4,-1.4 2,-2.4 -3,-0.2 -1,-0.2 0.533 88.0 102.0 -81.3 -6.5 37.1 81.3 32.8 150 220 A N < + 0 0 65 -4,-0.9 -42,-0.2 -3,-0.5 -1,-0.2 -0.239 51.1 166.9 -80.5 55.4 39.6 80.3 30.2 151 221 A N > - 0 0 1 -2,-2.4 3,-0.9 1,-0.1 -47,-0.1 -0.515 37.2-140.4 -72.4 131.2 36.9 79.1 27.7 152 222 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 0.732 98.8 54.6 -65.0 -21.1 38.3 78.6 24.1 153 223 A H T 3 S+ 0 0 91 42,-0.1 2,-0.3 -50,-0.1 -3,-0.0 0.642 93.9 78.9 -88.6 -17.6 35.1 80.1 22.6 154 224 A L S < S- 0 0 7 -3,-0.9 41,-0.0 -5,-0.1 42,-0.0 -0.721 76.9-121.6-101.7 144.0 35.1 83.5 24.4 155 225 A S > - 0 0 56 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.225 28.8-109.9 -68.5 165.3 37.3 86.5 23.5 156 226 A D H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.849 121.6 57.5 -60.5 -36.0 39.6 88.0 26.1 157 227 A A H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 107.8 44.3 -57.5 -47.6 37.1 91.0 26.1 158 228 A R H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 113.6 50.6 -70.0 -37.5 34.2 88.8 27.1 159 229 A K H X S+ 0 0 20 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.874 109.9 49.8 -66.1 -46.7 36.2 86.9 29.7 160 230 A H H >X S+ 0 0 81 -4,-2.5 4,-2.2 2,-0.2 3,-0.6 0.975 109.7 52.4 -51.4 -55.8 37.3 90.3 31.2 161 231 A Q H 3X S+ 0 0 49 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 108.7 51.1 -46.6 -50.1 33.7 91.3 31.2 162 232 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.819 108.3 50.7 -58.4 -37.0 32.8 88.1 33.1 163 233 A K H X S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 4,-0.7 0.951 108.1 53.8 -50.7 -51.1 24.1 90.7 51.8 177 247 A M H 3< S+ 0 0 0 -4,-2.4 62,-0.6 1,-0.3 -2,-0.2 0.693 96.3 63.3 -67.1 -21.5 26.2 88.6 54.3 178 248 A L T 3< S+ 0 0 19 -4,-1.1 60,-0.3 -3,-0.3 -1,-0.3 0.704 112.9 37.8 -72.0 -19.8 27.0 91.5 56.7 179 249 A E T <4 S+ 0 0 90 -3,-1.6 2,-0.5 -4,-0.5 -1,-0.2 0.502 94.9 98.2-108.8 -16.3 23.3 91.7 57.4 180 250 A E < - 0 0 45 -4,-0.7 2,-1.1 -3,-0.1 59,-0.6 -0.698 57.1-154.0 -90.9 128.5 22.2 88.0 57.3 181 251 A E + 0 0 75 -2,-0.5 52,-2.2 57,-0.2 2,-0.3 -0.743 52.9 112.3-101.4 89.4 21.9 86.2 60.6 182 252 A V E -H 232 0C 2 -2,-1.1 2,-0.4 50,-0.3 50,-0.2 -0.900 56.9-139.8-145.5 163.5 22.5 82.6 59.5 183 253 A R E -H 231 0C 86 48,-2.7 48,-2.1 -2,-0.3 2,-0.6 -0.942 23.2-174.4-131.4 114.3 25.2 80.0 60.0 184 254 A M E -H 230 0C 0 -2,-0.4 2,-0.5 46,-0.2 46,-0.2 -0.950 4.9-168.5-115.6 119.6 25.9 78.1 56.9 185 255 A I S S- 0 0 18 44,-1.5 44,-0.5 -2,-0.6 -117,-0.1 -0.915 73.2 -4.9-105.1 128.7 28.3 75.1 57.1 186 256 A S S S+ 0 0 22 -122,-0.6 2,-0.2 -2,-0.5 -1,-0.2 0.815 86.2 151.3 58.6 33.5 29.5 73.6 53.7 187 257 A S - 0 0 0 -123,-0.5 -123,-3.2 -3,-0.2 2,-0.4 -0.602 32.4-142.7 -82.6 158.1 27.4 75.8 51.5 188 258 A S E -CG 63 225B 0 37,-2.1 37,-2.5 -125,-0.3 2,-0.5 -0.937 11.2-131.8-120.9 147.0 28.8 76.5 48.0 189 259 A L E -CG 62 224B 0 -127,-2.7 -127,-2.5 -2,-0.4 2,-0.6 -0.835 26.7-151.9 -83.0 133.7 28.9 79.4 45.6 190 260 A L E -CG 61 223B 21 33,-3.0 33,-2.5 -2,-0.5 2,-0.4 -0.951 9.0-165.1-111.6 114.2 27.8 78.2 42.2 191 261 A F E +CG 60 222B 0 -131,-2.9 -131,-2.3 -2,-0.6 2,-0.4 -0.839 9.4 178.8 -95.2 135.7 29.3 80.1 39.3 192 262 A I E +CG 59 221B 0 29,-2.5 29,-2.6 -2,-0.4 2,-0.3 -0.999 2.5 175.8-132.3 138.4 27.8 79.6 35.9 193 263 A Y E -CG 58 220B 0 -135,-1.6 -135,-2.7 -2,-0.4 2,-0.6 -0.992 34.3-108.6-137.9 152.0 28.7 81.3 32.6 194 264 A E E -C 57 0B 0 25,-3.3 6,-0.1 -2,-0.3 25,-0.0 -0.674 25.1-176.3 -75.1 116.5 27.6 80.9 29.0 195 265 A G + 0 0 0 -139,-2.9 -1,-0.1 -2,-0.6 -42,-0.1 0.511 58.6 95.0 -87.6 -8.2 30.3 79.3 26.8 196 266 A D >> - 0 0 37 1,-0.2 4,-1.3 -140,-0.1 3,-1.1 -0.769 59.1-161.8 -89.6 109.3 28.3 79.7 23.6 197 267 A P H 3> S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.746 89.7 63.8 -60.2 -23.7 29.4 82.9 21.7 198 268 A E H 3> S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.833 101.2 50.3 -66.8 -35.7 26.1 82.7 19.7 199 269 A R H <> S+ 0 0 41 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.872 106.1 55.1 -73.9 -34.5 24.2 83.2 22.9 200 270 A W H <>S+ 0 0 0 -4,-1.3 5,-2.5 2,-0.2 4,-0.4 0.921 110.2 47.4 -54.2 -48.9 26.4 86.2 23.8 201 271 A E H ><5S+ 0 0 106 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.904 108.5 53.6 -60.0 -48.7 25.4 87.7 20.4 202 272 A L H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.3 38.6 -52.6 -45.4 21.8 87.0 20.9 203 273 A L T ><5S- 0 0 51 -4,-2.2 3,-1.6 -5,-0.1 -1,-0.2 0.421 109.0-125.0 -88.4 3.0 21.9 88.8 24.3 204 274 A N T < 5 - 0 0 123 -3,-0.9 -3,-0.2 -4,-0.4 3,-0.1 0.862 64.3 -64.1 55.6 41.3 24.3 91.5 22.9 205 275 A D T 3 + 0 0 0 1,-0.2 3,-1.5 -40,-0.1 -212,-0.2 0.049 39.2 118.8-118.9 26.9 21.9 74.0 52.9 228 327 A A T 3 S+ 0 0 15 1,-0.3 -1,-0.2 -42,-0.2 -217,-0.2 0.713 91.7 34.0 -65.6 -19.8 22.0 70.6 54.7 229 328 A H T 3 S+ 0 0 79 -44,-0.5 -44,-1.5 -3,-0.3 2,-0.3 -0.090 101.0 105.0-125.4 34.3 24.2 72.1 57.4 230 329 A S E < +H 184 0C 1 -3,-1.5 2,-0.3 -46,-0.2 -46,-0.2 -0.846 40.2 177.2-116.2 149.3 22.7 75.6 57.4 231 330 A E E -H 183 0C 79 -48,-2.1 -48,-2.7 -2,-0.3 2,-0.4 -0.992 32.6-115.9-148.3 152.7 20.3 77.4 59.9 232 331 A I E -H 182 0C 73 -2,-0.3 -50,-0.3 -50,-0.2 -52,-0.0 -0.728 28.3-172.9 -80.5 132.6 18.7 80.7 60.4 233 332 A T > - 0 0 8 -52,-2.2 3,-1.9 -2,-0.4 4,-0.2 -0.588 7.7-162.3-131.6 69.8 20.0 82.2 63.6 234 333 A P T 3 S+ 0 0 96 0, 0.0 -54,-0.0 0, 0.0 -52,-0.0 -0.278 77.4 14.2 -59.2 132.5 18.0 85.5 64.3 235 334 A G T 3 S+ 0 0 67 1,-0.0 3,-0.1 -2,-0.0 0, 0.0 0.145 102.2 97.6 90.8 -18.6 19.7 87.8 66.8 236 335 A K S < S- 0 0 148 -3,-1.9 -54,-0.1 1,-0.2 -1,-0.0 0.379 83.8-125.6 -94.2 6.0 23.0 86.0 66.5 237 336 A G - 0 0 26 -4,-0.2 -55,-0.3 -58,-0.1 -1,-0.2 -0.005 44.0 -29.8 77.3 179.7 24.6 88.3 64.1 238 337 A Y - 0 0 58 -60,-0.3 2,-1.1 -57,-0.2 -57,-0.2 -0.088 62.1-103.2 -74.0 163.7 26.3 87.8 60.7 239 338 A D > + 0 0 3 -62,-0.6 4,-2.1 -59,-0.6 3,-0.2 -0.729 39.4 173.8 -92.1 89.1 28.1 84.6 59.5 240 339 A E H > S+ 0 0 76 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.835 74.5 63.2 -70.0 -35.0 31.8 85.6 59.8 241 340 A N H > S+ 0 0 30 1,-0.2 4,-0.6 2,-0.2 -175,-0.4 0.924 111.5 37.7 -50.6 -50.2 33.0 82.1 58.9 242 341 A V H >> S+ 0 0 0 -3,-0.2 4,-1.4 -177,-0.2 3,-1.1 0.912 111.7 58.5 -68.4 -44.1 31.4 82.4 55.4 243 342 A I H 3X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.836 95.6 65.4 -58.0 -35.0 32.3 86.1 55.0 244 343 A E H 3X S+ 0 0 44 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.846 102.8 46.1 -57.8 -36.6 35.9 85.3 55.3 245 344 A G H < S+ 0 0 138 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.902 103.9 57.2 -63.5 -40.3 43.9 90.9 41.3 256 355 A F H 3< S+ 0 0 33 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 111.3 42.2 -53.7 -42.7 42.4 89.6 38.0 257 356 A L H 3< 0 0 7 -4,-1.5 -1,-0.2 -94,-0.1 -2,-0.2 0.558 360.0 360.0 -87.7 -4.8 41.4 93.1 37.0 258 357 A E << 0 0 109 -3,-0.9 -3,-0.1 -4,-0.6 242,-0.0 -0.207 360.0 360.0 -68.7 360.0 44.6 94.8 38.2 259 !* 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 0.0 260 25 B D 0 0 185 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -1.3 27.0 128.1 51.5 261 26 B G - 0 0 37 2,-0.6 51,-0.2 51,-0.1 50,-0.1 -0.110 360.0 -61.7-104.1-158.0 24.2 128.0 49.0 262 27 B L S S+ 0 0 93 -2,-0.1 47,-3.2 46,-0.1 2,-0.3 0.779 114.5 49.3 -59.0 -33.6 23.5 125.7 46.1 263 28 B L E -I 308 0D 54 45,-0.3 -2,-0.6 47,-0.0 2,-0.4 -0.792 62.7-149.5-120.8 151.3 26.7 126.7 44.2 264 29 B I E -I 307 0D 61 43,-3.1 43,-2.0 -2,-0.3 2,-0.6 -0.912 8.8-152.2-112.2 144.0 30.4 127.2 44.8 265 30 B F E -I 306 0D 109 -2,-0.4 41,-0.2 41,-0.2 31,-0.0 -0.829 23.6-176.8-117.7 88.7 32.4 129.7 42.9 266 31 B K E -I 305 0D 64 39,-2.1 39,-2.9 -2,-0.6 2,-0.4 -0.778 27.8-127.5 -97.4 122.9 35.9 128.2 42.8 267 32 B P E -I 304 0D 71 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.567 41.5-167.4 -64.3 119.3 38.9 130.1 41.3 268 33 B A - 0 0 2 35,-2.2 35,-0.2 -2,-0.4 0, 0.0 -0.879 23.8-128.7-125.4 146.3 40.3 127.6 38.9 269 34 B F >> - 0 0 150 -2,-0.3 4,-1.4 1,-0.1 3,-1.2 -0.521 40.5-104.0 -78.9 152.6 43.5 127.0 36.7 270 35 B P H 3> S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.810 117.8 58.2 -43.3 -44.4 43.0 126.2 33.0 271 36 B Q H 3> S+ 0 0 39 1,-0.2 4,-1.3 2,-0.2 219,-0.1 0.793 105.5 50.6 -64.1 -29.2 43.8 122.4 33.5 272 37 B E H <> S+ 0 0 6 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.936 108.7 50.3 -73.3 -48.9 41.0 122.0 35.9 273 38 B L H X S+ 0 0 8 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.903 109.9 52.2 -46.1 -52.4 38.4 123.7 33.6 274 39 B E H X S+ 0 0 127 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.892 109.5 48.9 -57.3 -41.8 39.4 121.4 30.8 275 40 B F H X S+ 0 0 4 -4,-1.3 4,-1.7 2,-0.2 5,-0.3 0.950 111.1 48.0 -66.1 -52.6 39.0 118.3 32.9 276 41 B Y H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.883 115.5 46.0 -51.4 -46.9 35.5 119.3 34.1 277 42 B K H < S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.947 108.9 54.6 -60.1 -53.0 34.4 120.1 30.5 278 43 B A H < S+ 0 0 56 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.746 119.3 32.5 -59.3 -31.4 35.9 116.9 29.0 279 44 B I H < 0 0 40 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.880 360.0 360.0 -84.5 -50.2 33.9 114.6 31.4 280 45 B Q < 0 0 68 -4,-2.5 -3,-0.2 -5,-0.3 14,-0.0 0.596 360.0 360.0 -99.5 360.0 30.8 116.7 31.9 281 ! 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 0.0 282 58 B G 0 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.2 25.6 99.7 35.1 283 59 B D - 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