==== 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 LIGASE 30-JUL-09 3IHL . COMPND 2 MOLECULE: CTP SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MOCHE,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R.CO . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 0 0 0 0 2 2 2 0 2 3 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 6 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 M 0 0 50 0, 0.0 2,-0.4 0, 0.0 102,-0.2 0.000 360.0 360.0 360.0 139.4 86.6 23.7 37.5 2 2 A K E -a 103 0A 32 100,-1.5 102,-2.5 88,-0.1 2,-0.4 -0.919 360.0-152.2-112.3 145.7 82.9 23.6 38.3 3 3 A Y E -ab 104 136A 14 132,-2.1 134,-1.7 -2,-0.4 2,-0.5 -0.954 15.0-169.6-126.3 135.7 80.7 26.6 37.5 4 4 A I E -ab 105 137A 0 100,-2.7 102,-3.1 -2,-0.4 2,-0.5 -0.988 15.3-158.8-120.5 118.5 77.5 28.0 39.0 5 5 A L E -ab 106 138A 0 132,-2.1 134,-3.3 -2,-0.5 2,-0.6 -0.869 1.3-160.4-104.3 122.5 75.9 30.8 37.0 6 6 A V E +ab 107 139A 0 100,-3.1 102,-2.7 -2,-0.5 2,-0.3 -0.893 16.7 170.5-105.2 120.0 73.4 33.1 38.7 7 7 A T E - b 0 140A 1 132,-2.8 134,-3.0 -2,-0.6 2,-0.3 -0.839 20.4-135.7-119.7 164.4 71.0 35.1 36.5 8 8 A G E - b 0 141A 0 102,-0.4 104,-2.6 100,-0.3 2,-0.3 -0.867 14.4-157.4-121.4 156.8 68.0 37.2 37.4 9 9 A G + 0 0 0 132,-3.0 2,-2.7 -2,-0.3 134,-0.5 -0.913 57.7 2.2-135.1 159.9 64.5 37.6 36.0 10 10 A V S S+ 0 0 59 102,-0.4 2,-0.3 -2,-0.3 132,-0.1 -0.286 119.6 19.6 70.4 -56.3 61.4 40.0 35.7 11 11 A I S S- 0 0 71 -2,-2.7 3,-0.4 99,-0.1 -2,-0.1 -0.968 73.5-114.6-139.9 156.6 63.1 42.9 37.6 12 12 A S S S+ 0 0 89 -2,-0.3 99,-0.1 1,-0.2 97,-0.0 -0.376 99.3 44.9 -74.4 168.5 66.4 44.3 38.7 13 13 A G S S+ 0 0 74 -2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.810 74.3 133.1 62.2 32.7 67.1 44.4 42.4 14 14 A I S S- 0 0 2 -3,-0.4 -2,-0.1 127,-0.1 -1,-0.1 0.598 81.7 -91.3 -91.1 -14.5 65.8 40.8 42.6 15 15 A G S > S+ 0 0 19 126,-0.1 4,-2.5 3,-0.0 5,-0.3 0.584 75.5 140.7 115.7 16.2 68.6 39.4 44.8 16 16 A K H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.928 77.6 49.0 -55.7 -46.4 71.2 38.1 42.3 17 17 A G H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.912 111.4 47.4 -61.5 -45.9 74.1 39.4 44.5 18 18 A I H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 115.2 45.6 -66.6 -40.0 72.8 37.9 47.7 19 19 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.952 113.9 48.5 -64.8 -48.0 72.1 34.5 46.2 20 20 A A H X S+ 0 0 8 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.924 117.0 44.7 -58.3 -40.9 75.5 34.5 44.4 21 21 A S H X S+ 0 0 70 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.882 112.5 49.1 -71.3 -40.8 77.0 35.5 47.7 22 22 A S H X S+ 0 0 7 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.891 108.5 52.2 -71.2 -42.3 75.1 33.1 49.9 23 23 A I H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.951 110.9 50.4 -55.7 -47.3 75.8 30.0 47.7 24 24 A G H X S+ 0 0 7 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.952 111.7 46.4 -53.4 -55.2 79.5 31.0 47.9 25 25 A T H X S+ 0 0 83 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.885 113.5 49.5 -55.0 -43.8 79.3 31.3 51.7 26 26 A I H >< S+ 0 0 3 -4,-2.9 3,-0.5 1,-0.2 4,-0.4 0.954 111.1 47.6 -64.0 -48.9 77.5 28.0 52.0 27 27 A L H ><>S+ 0 0 4 -4,-2.9 5,-1.3 1,-0.2 3,-1.3 0.856 107.2 56.2 -64.8 -34.4 79.8 26.0 49.8 28 28 A K H ><5S+ 0 0 96 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.826 100.1 60.6 -65.5 -31.0 83.0 27.4 51.6 29 29 A S T <<5S+ 0 0 86 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.551 97.7 58.6 -75.7 -8.1 81.6 26.1 54.9 30 30 A C T < 5S- 0 0 76 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.132 128.1 -97.6-100.8 17.2 81.7 22.5 53.5 31 31 A G T < 5S+ 0 0 64 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.634 76.9 140.9 86.2 17.3 85.4 22.8 52.9 32 32 A L < - 0 0 16 -5,-1.3 2,-1.0 202,-0.1 -1,-0.2 -0.759 56.6-122.9 -99.3 135.9 85.4 23.8 49.2 33 33 A R - 0 0 66 -2,-0.4 69,-2.0 67,-0.2 70,-2.0 -0.663 40.7-173.9 -73.0 104.6 87.7 26.4 47.5 34 34 A V E -c 103 0A 5 -2,-1.0 2,-0.3 68,-0.2 70,-0.2 -0.852 9.3-173.5-109.1 134.7 85.1 28.8 46.1 35 35 A T E -c 104 0A 13 68,-2.6 70,-2.3 -2,-0.4 2,-0.4 -0.783 12.5-138.8-121.3 167.7 85.9 31.8 43.8 36 36 A A E -c 105 0A 63 -2,-0.3 2,-0.4 68,-0.2 70,-0.2 -0.991 13.8-175.4-136.6 136.0 83.7 34.6 42.4 37 37 A I E -c 106 0A 4 68,-2.1 70,-2.6 -2,-0.4 2,-0.5 -0.996 11.1-158.6-126.5 135.2 83.4 36.3 39.1 38 38 A K E -cd 107 48A 59 9,-2.0 11,-2.3 -2,-0.4 2,-0.5 -0.964 0.7-161.8-117.0 130.1 81.0 39.2 38.5 39 39 A I E -cd 108 49A 0 68,-3.0 70,-2.7 -2,-0.5 11,-0.2 -0.958 3.6-168.8-109.3 122.7 79.8 40.3 35.0 40 40 A D E - d 0 50A 21 9,-2.8 11,-1.0 -2,-0.5 68,-0.1 -0.955 13.3-152.1-109.2 116.6 78.4 43.8 34.7 41 41 A P + 0 0 8 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 0.424 61.5 107.9 -71.8 5.6 76.6 44.3 31.4 42 42 A Y S S- 0 0 107 1,-0.1 9,-1.5 9,-0.1 10,-1.3 -0.275 74.4-123.3 -83.4 171.4 77.3 48.0 31.3 43 43 A I + 0 0 128 8,-0.2 -1,-0.1 7,-0.1 7,-0.1 0.582 69.0 115.5 -91.0 -13.3 79.8 49.8 29.1 44 44 A N 0 0 113 1,-0.1 9,-0.4 8,-0.1 8,-0.3 -0.229 360.0 360.0 -60.7 149.0 82.0 51.5 31.7 45 45 A I 0 0 140 7,-0.2 -1,-0.1 6,-0.1 8,-0.0 0.357 360.0 360.0-126.7 360.0 85.7 50.6 32.1 46 ! 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 47 86 A N 0 0 120 0, 0.0 -9,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 6.3 87.7 39.1 38.3 48 87 A N E -d 38 0A 41 -11,-0.2 2,-0.3 -9,-0.0 -9,-0.2 -0.991 360.0-171.1-124.8 121.5 85.0 41.6 37.2 49 88 A I E -d 39 0A 11 -11,-2.3 -9,-2.8 -2,-0.4 2,-0.3 -0.806 2.6-174.6-114.0 153.8 84.2 41.8 33.5 50 89 A T E > -d 40 0A 2 -2,-0.3 4,-2.2 -11,-0.2 5,-0.3 -0.925 40.7-108.0-137.8 165.6 82.0 44.4 31.6 51 90 A T H > S+ 0 0 18 -9,-1.5 4,-2.8 -11,-1.0 5,-0.3 0.921 120.5 53.6 -59.0 -42.9 80.7 44.9 28.1 52 91 A G H > S+ 0 0 7 -10,-1.3 4,-2.9 -8,-0.3 5,-0.2 0.943 109.5 46.0 -53.7 -53.7 83.1 47.8 27.8 53 92 A K H > S+ 0 0 75 -9,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.910 116.4 43.5 -60.4 -46.6 86.2 45.7 28.7 54 93 A I H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.917 116.9 45.0 -72.4 -42.6 85.3 42.7 26.5 55 94 A Y H X S+ 0 0 73 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.900 113.0 51.2 -66.1 -39.1 84.3 44.7 23.5 56 95 A Q H X S+ 0 0 82 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.917 109.8 51.9 -64.0 -40.2 87.4 47.0 23.9 57 96 A H H X S+ 0 0 99 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.959 114.3 39.9 -58.6 -54.1 89.6 43.9 24.0 58 97 A V H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.883 115.1 52.5 -67.8 -39.0 88.2 42.3 20.9 59 98 A I H X S+ 0 0 79 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.949 111.9 47.0 -59.0 -48.7 88.1 45.6 19.0 60 99 A N H X S+ 0 0 73 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.878 111.2 51.0 -61.7 -41.3 91.7 46.3 19.9 61 100 A K H <>S+ 0 0 55 -4,-2.5 5,-2.5 2,-0.2 4,-0.4 0.905 114.0 44.7 -58.7 -43.4 92.7 42.8 18.8 62 101 A E H ><5S+ 0 0 93 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.952 109.0 56.5 -68.2 -47.3 91.0 43.3 15.5 63 102 A R H 3<5S+ 0 0 186 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.771 109.5 45.1 -53.6 -34.9 92.4 46.7 15.1 64 103 A R T 3<5S- 0 0 179 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.410 121.5-104.9 -96.5 5.3 96.0 45.4 15.4 65 104 A G T X 5S+ 0 0 35 -3,-1.7 3,-1.5 -4,-0.4 -3,-0.2 0.683 70.7 142.3 91.3 20.6 95.3 42.5 13.1 66 105 A D T 3 S- 0 0 41 -6,-0.3 3,-1.7 -5,-0.2 -1,-0.3 0.242 108.3-123.8 -95.7 14.7 92.3 38.0 13.3 68 107 A L T < - 0 0 154 -3,-1.5 -2,-0.1 1,-0.3 -6,-0.1 0.762 68.9 -51.8 53.9 37.3 94.2 38.3 10.0 69 108 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -7,-0.2 3,-0.1 0.197 100.2 138.1 90.2 -16.4 91.6 40.3 8.1 70 109 A K < - 0 0 153 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 -0.046 65.6 -91.3 -57.9 160.3 88.7 38.0 8.8 71 110 A T - 0 0 110 1,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.618 41.3-148.7 -75.8 130.2 85.3 39.3 9.7 72 111 A V - 0 0 41 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.893 20.1-177.9-105.1 134.7 85.0 39.6 13.5 73 112 A Q >> - 0 0 118 -2,-0.4 4,-1.2 1,-0.1 5,-1.1 -0.886 42.4-114.4-132.1 158.7 81.6 39.0 15.0 74 113 A V H >>S+ 0 0 60 -2,-0.3 5,-2.3 1,-0.3 4,-1.0 0.961 103.7 68.7 -53.2 -53.2 79.9 39.0 18.4 75 114 A V H 45S+ 0 0 69 1,-0.2 -1,-0.3 3,-0.2 48,-0.0 -0.967 117.4 2.8-105.6 120.3 79.4 35.3 18.0 76 115 A P H >5S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 -0.986 132.4 49.0 -97.4 -3.4 82.0 33.7 18.0 77 116 A H H X5S+ 0 0 39 -4,-1.2 4,-1.5 2,-0.2 -3,-0.2 0.913 118.1 34.0 -77.3 -43.8 84.6 36.3 18.8 78 117 A I H X< S+ 0 0 54 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.901 106.9 59.6 -66.8 -42.9 89.9 33.9 36.1 90 129 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 102.2 55.3 -57.3 -29.5 88.2 30.8 37.7 91 130 A K T 3< S+ 0 0 99 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.688 80.9 107.9 -75.8 -20.5 91.7 29.2 38.0 92 131 A V S < S- 0 0 67 -3,-1.4 7,-0.1 -4,-0.5 6,-0.0 -0.428 77.1-112.5 -68.7 125.9 93.3 32.0 40.0 93 132 A P + 0 0 66 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.165 43.9 173.3 -60.9 150.3 93.9 31.1 43.7 94 133 A V > + 0 0 42 5,-0.4 3,-2.1 1,-0.1 5,-0.1 -0.768 45.2 41.3-143.1-177.7 91.8 32.9 46.4 95 134 A D T 3 S- 0 0 101 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.679 125.9 -61.7 45.0 26.6 90.9 33.1 50.1 96 135 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.156 105.3 128.0 89.2 -20.0 94.6 32.5 51.0 97 136 A N < - 0 0 68 -3,-2.1 -1,-0.3 1,-0.1 0, 0.0 -0.363 49.5-155.0 -67.0 149.2 94.7 29.0 49.4 98 137 A K + 0 0 193 -5,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.614 69.1 86.6 -96.4 -18.9 97.5 28.3 46.9 99 138 A E S S- 0 0 115 1,-0.1 -5,-0.4 -5,-0.1 3,-0.1 -0.483 92.5 -86.3 -85.0 155.5 95.6 25.6 45.0 100 139 A E - 0 0 99 -2,-0.2 -67,-0.2 -7,-0.1 -1,-0.1 -0.253 50.6-103.5 -55.5 135.0 93.2 26.1 42.2 101 140 A P - 0 0 3 0, 0.0 -67,-0.2 0, 0.0 -1,-0.1 -0.299 20.1-150.7 -56.0 147.2 89.6 26.8 43.2 102 141 A Q S S+ 0 0 57 -69,-2.0 -100,-1.5 1,-0.2 2,-0.4 0.780 78.3 32.0 -89.5 -33.4 87.1 23.9 42.9 103 142 A I E -ac 2 34A 0 -70,-2.0 -68,-2.6 -102,-0.2 2,-0.5 -0.973 60.7-161.4-130.2 144.2 84.0 26.0 42.2 104 143 A C E -ac 3 35A 0 -102,-2.5 -100,-2.7 -2,-0.4 2,-0.6 -0.973 6.7-158.1-126.4 115.8 83.3 29.3 40.5 105 144 A V E -ac 4 36A 6 -70,-2.3 -68,-2.1 -2,-0.5 2,-0.5 -0.855 13.0-162.1 -92.2 118.5 80.1 31.3 41.2 106 145 A I E -ac 5 37A 0 -102,-3.1 -100,-3.1 -2,-0.6 2,-0.6 -0.931 2.7-158.1-107.0 121.8 79.5 33.6 38.3 107 146 A E E -ac 6 38A 44 -70,-2.6 -68,-3.0 -2,-0.5 2,-0.8 -0.889 4.1-160.5-102.9 115.2 77.0 36.5 38.9 108 147 A L E - c 0 39A 6 -102,-2.7 -100,-0.3 -2,-0.6 -68,-0.2 -0.870 11.1-150.8-100.5 109.6 75.5 37.9 35.7 109 148 A G + 0 0 8 -70,-2.7 2,-0.1 -2,-0.8 -101,-0.1 -0.163 56.9 55.0 -67.7 170.1 74.1 41.3 36.3 110 149 A G S S- 0 0 23 -103,-0.1 2,-0.4 2,-0.1 -102,-0.4 -0.308 90.2 -80.7 89.2 175.3 71.2 42.6 34.3 111 150 A T > - 0 0 17 -2,-0.1 3,-2.1 -104,-0.1 6,-0.2 -0.984 46.0-105.3-118.0 129.2 67.8 41.0 33.9 112 151 A I T 3 S+ 0 0 22 -104,-2.6 -102,-0.4 -2,-0.4 3,-0.1 -0.260 107.7 43.1 -49.0 136.0 67.3 38.2 31.4 113 152 A G T 3 S+ 0 0 52 1,-0.4 2,-0.3 51,-0.1 -1,-0.3 -0.054 86.9 112.1 110.4 -30.0 65.4 39.5 28.4 114 153 A D S X S- 0 0 83 -3,-2.1 3,-1.4 1,-0.1 -1,-0.4 -0.600 71.1-129.6 -77.9 136.6 67.4 42.7 28.1 115 154 A I G > S+ 0 0 146 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.786 101.5 66.0 -50.8 -37.1 69.7 43.2 25.1 116 155 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.773 101.9 49.3 -64.0 -25.2 72.8 44.2 27.2 117 156 A G G <> S+ 0 0 9 -3,-1.4 4,-2.3 -6,-0.2 3,-0.4 0.520 85.6 88.8 -92.4 -5.7 73.0 40.7 28.7 118 157 A M H <> S+ 0 0 61 -3,-1.3 4,-2.6 -4,-0.3 5,-0.2 0.807 79.6 57.2 -73.7 -32.2 72.7 38.6 25.5 119 158 A P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.904 113.2 44.0 -61.4 -33.4 76.4 38.4 24.6 120 159 A F H > S+ 0 0 0 -3,-0.4 4,-2.3 -4,-0.2 -2,-0.2 0.932 112.3 49.5 -79.0 -43.3 77.0 36.9 28.0 121 160 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.917 113.0 49.1 -60.3 -40.7 74.0 34.5 28.0 122 161 A E H X S+ 0 0 27 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.861 107.1 55.4 -66.0 -35.9 75.1 33.3 24.5 123 162 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.926 112.4 43.0 -61.3 -42.5 78.6 32.8 25.8 124 163 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.830 105.4 61.6 -76.6 -30.4 77.2 30.6 28.6 125 164 A R H < S+ 0 0 16 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.914 114.3 37.2 -54.3 -45.1 74.8 28.7 26.2 126 165 A Q H >X S+ 0 0 29 -4,-1.7 4,-1.2 1,-0.2 3,-0.8 0.824 111.8 59.0 -74.2 -38.0 77.9 27.6 24.3 127 166 A F H 3X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.863 94.6 63.6 -65.1 -38.7 80.1 27.1 27.4 128 167 A Q H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 103.4 50.2 -58.5 -27.7 77.7 24.6 29.0 129 168 A F H <4 S+ 0 0 71 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.860 110.7 48.6 -75.8 -38.3 78.4 22.3 26.0 130 169 A K H < S+ 0 0 126 -4,-1.2 -2,-0.2 -3,-0.1 -3,-0.1 0.971 108.6 59.7 -63.9 -54.9 82.3 22.7 26.4 131 170 A A S < S- 0 0 20 -4,-2.8 5,-0.1 1,-0.1 -129,-0.1 -0.328 102.6-104.8 -61.4 155.2 82.2 22.0 30.1 132 171 A K > - 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