==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-11 3ZZG . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.DE CIMA,F.GIL-ORTIZ,M.CRABEEL,I.FITA,V.RUBIO . 1160 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 876 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 111 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 4 0 8 0 4 6 6 2 6 4 0 2 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 8 10 6 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 . 3 12 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 2 2 0 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 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 62 A N 0 0 100 0, 0.0 165,-0.1 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 123.3 22.7 10.1 40.2 2 63 A G - 0 0 52 1,-0.1 2,-0.5 2,-0.0 64,-0.5 -0.183 360.0-160.9 -49.8 118.6 22.3 11.2 43.8 3 64 A F + 0 0 27 62,-0.2 62,-0.2 63,-0.1 877,-0.2 -0.919 23.5 157.1 -96.0 128.5 22.0 8.4 46.3 4 65 A S - 0 0 47 60,-3.6 2,-1.0 -2,-0.5 875,-0.2 -0.622 25.5-158.6-156.8 90.8 20.5 9.6 49.5 5 66 A A E -A 878 0A 2 873,-2.4 873,-0.9 -2,-0.2 60,-0.1 -0.622 13.3-166.6 -77.9 102.4 18.8 6.9 51.7 6 67 A T E > -A 877 0A 36 -2,-1.0 4,-2.5 871,-0.2 5,-0.2 -0.182 41.3 -90.6 -73.4 175.7 16.3 8.7 54.1 7 68 A R H > S+ 0 0 89 869,-0.5 4,-2.5 1,-0.2 5,-0.2 0.952 130.9 48.0 -55.1 -52.9 14.9 6.8 57.1 8 69 A S H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.801 109.8 55.0 -61.3 -28.3 11.9 5.6 55.1 9 70 A T H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 108.5 46.9 -66.0 -50.1 14.4 4.5 52.4 10 71 A V H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.884 113.6 48.4 -60.3 -39.6 16.4 2.4 54.8 11 72 A I H X S+ 0 0 51 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.867 113.2 47.1 -68.9 -35.7 13.2 0.8 56.2 12 73 A Q H X S+ 0 0 48 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.842 111.3 52.3 -75.1 -32.4 11.8 0.0 52.8 13 74 A L H < S+ 0 0 3 -4,-2.3 4,-0.2 1,-0.2 3,-0.2 0.916 119.6 33.1 -66.7 -44.9 15.1 -1.4 51.7 14 75 A L H >< S+ 0 0 0 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.641 93.8 91.7 -88.3 -17.4 15.4 -3.7 54.6 15 76 A N H 3< S+ 0 0 67 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.853 101.1 22.3 -54.9 -46.2 11.8 -4.6 55.2 16 77 A N T 3< S+ 0 0 141 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.425 92.0 117.2-106.4 3.4 11.5 -7.7 53.0 17 78 A I < + 0 0 3 -3,-0.5 879,-0.1 -4,-0.2 3,-0.1 -0.528 22.9 144.3 -64.6 131.6 15.2 -8.7 52.9 18 79 A S + 0 0 45 1,-0.3 875,-0.5 -2,-0.3 2,-0.3 0.487 53.2 50.4-144.5 -26.4 15.6 -12.1 54.6 19 80 A T S >> S- 0 0 70 873,-0.2 4,-1.7 874,-0.1 3,-0.9 -0.910 79.0-117.8-122.2 153.1 18.4 -14.1 52.8 20 81 A K H 3> S+ 0 0 97 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.729 114.4 66.7 -56.8 -23.7 21.9 -13.2 51.7 21 82 A R H 3> S+ 0 0 155 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 102.6 43.5 -61.7 -46.5 20.6 -13.7 48.2 22 83 A E H <> S+ 0 0 38 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.906 113.1 51.4 -69.0 -42.1 18.4 -10.7 48.4 23 84 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.925 110.8 49.3 -55.6 -44.6 21.1 -8.6 50.1 24 85 A E H X S+ 0 0 108 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.800 106.2 57.0 -69.1 -30.3 23.4 -9.5 47.2 25 86 A Q H X S+ 0 0 22 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.900 107.9 46.8 -66.0 -41.4 20.8 -8.6 44.7 26 87 A Y H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.895 109.0 54.3 -67.9 -39.2 20.5 -5.0 46.1 27 88 A L H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.850 100.9 62.2 -61.5 -34.5 24.3 -4.7 46.1 28 89 A K H X S+ 0 0 137 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.941 110.6 37.2 -53.6 -51.5 24.3 -5.7 42.4 29 90 A Y H < S+ 0 0 22 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 119.8 46.9 -75.4 -30.2 22.3 -2.5 41.6 30 91 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 113.7 45.4 -82.9 -35.4 24.0 -0.2 44.1 31 92 A T H < S+ 0 0 88 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.615 93.0 110.2 -81.3 -13.3 27.6 -1.1 43.3 32 93 A S < - 0 0 64 -4,-0.7 -3,-0.1 -5,-0.3 -4,-0.0 -0.173 49.4-168.5 -59.1 154.4 26.8 -0.9 39.6 33 94 A V + 0 0 130 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.135 33.2 149.0-134.0 35.0 28.2 1.9 37.5 34 95 A S - 0 0 63 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.494 43.5-153.1 -75.3 137.2 26.1 1.4 34.4 35 96 A Q + 0 0 194 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.240 63.1 118.4 -86.7 9.5 25.2 4.4 32.3 36 97 A Q S S- 0 0 92 1,-0.1 2,-0.1 2,-0.0 165,-0.1 -0.570 76.3-105.6 -80.7 141.8 22.1 2.5 31.2 37 98 A Q - 0 0 33 163,-0.5 166,-2.1 -2,-0.2 167,-0.2 -0.409 26.5-142.5 -65.7 140.3 18.7 3.9 32.0 38 99 A F - 0 0 13 30,-0.6 166,-2.4 1,-0.2 2,-0.3 0.957 61.9 -12.0 -76.7 -52.4 17.1 2.0 34.9 39 100 A A E -bc 69 204B 0 29,-0.6 31,-2.6 164,-0.2 2,-0.5 -0.999 34.8-149.7-155.1 146.2 13.4 1.8 34.0 40 101 A V E -bc 70 205B 0 164,-1.6 166,-2.5 -2,-0.3 2,-0.4 -0.962 31.2-167.6-105.3 135.2 10.6 2.9 31.8 41 102 A I E -bc 71 206B 0 29,-2.2 31,-2.4 -2,-0.5 2,-0.5 -0.953 10.0-156.7-133.9 112.3 7.4 2.7 34.0 42 103 A K E -bc 72 207B 24 164,-2.8 166,-3.3 -2,-0.4 2,-0.6 -0.777 11.2-159.7 -92.4 125.7 3.9 3.0 32.5 43 104 A V E -bc 73 208B 0 29,-2.6 31,-2.1 -2,-0.5 2,-0.2 -0.899 15.6-134.4-110.5 113.7 1.2 4.1 35.0 44 105 A G >> - 0 0 13 164,-1.5 3,-1.5 -2,-0.6 4,-0.6 -0.461 24.7-127.7 -52.7 128.0 -2.5 3.4 34.4 45 106 A G H >> S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 3,-1.3 0.821 106.0 71.2 -50.8 -35.7 -4.2 6.7 35.2 46 107 A A H 3> S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.885 92.4 58.0 -46.1 -42.4 -6.5 4.8 37.6 47 108 A I H <> S+ 0 0 3 -3,-1.5 4,-2.2 1,-0.2 8,-0.3 0.790 100.1 56.5 -64.8 -29.0 -3.5 4.4 39.9 48 109 A I H << S+ 0 0 2 -3,-1.3 4,-0.4 -4,-0.6 -1,-0.2 0.910 116.1 34.5 -70.8 -42.6 -3.0 8.2 40.2 49 110 A S H < S+ 0 0 45 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.841 129.9 34.9 -77.0 -33.2 -6.5 8.8 41.5 50 111 A D H < S+ 0 0 99 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.737 133.5 16.2 -97.2 -28.8 -6.8 5.6 43.5 51 112 A N S X S+ 0 0 71 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 -0.175 70.8 141.2-140.1 43.5 -3.3 4.8 44.9 52 113 A L H > S+ 0 0 33 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.877 74.9 52.4 -58.4 -42.0 -1.3 8.1 44.6 53 114 A H H > S+ 0 0 154 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 111.7 45.1 -62.8 -43.1 0.5 7.6 47.9 54 115 A E H > S+ 0 0 64 2,-0.2 4,-2.0 -3,-0.2 5,-0.2 0.918 114.3 49.2 -64.8 -46.0 1.7 4.1 47.1 55 116 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -8,-0.3 3,-0.4 0.981 113.9 45.3 -57.4 -55.5 2.8 5.2 43.6 56 117 A A H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.873 111.2 53.1 -57.9 -45.0 4.7 8.1 45.0 57 118 A S H X S+ 0 0 43 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.868 110.4 47.1 -55.2 -42.9 6.3 6.1 47.8 58 119 A C H X S+ 0 0 14 -4,-2.0 4,-1.4 -3,-0.4 -2,-0.2 0.885 115.0 44.9 -74.1 -39.1 7.6 3.5 45.4 59 120 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.868 108.8 58.2 -68.5 -38.6 9.0 6.1 43.0 60 121 A A H X S+ 0 0 8 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.916 103.6 53.7 -53.9 -43.5 10.4 8.0 46.0 61 122 A F H X S+ 0 0 3 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.924 108.8 46.9 -61.0 -46.9 12.4 4.9 46.9 62 123 A L H <>S+ 0 0 2 -4,-1.4 5,-2.8 1,-0.2 -1,-0.2 0.888 113.2 50.2 -61.6 -40.6 13.9 4.6 43.4 63 124 A Y H ><5S+ 0 0 36 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.937 109.0 51.4 -60.9 -45.8 14.8 8.3 43.5 64 125 A H H 3<5S+ 0 0 18 -4,-2.7 -60,-3.6 1,-0.3 -1,-0.2 0.704 110.7 47.0 -73.1 -23.3 16.4 8.1 46.9 65 126 A V T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -62,-0.2 -62,-0.2 0.134 118.4-111.9 -98.6 17.2 18.7 5.2 45.9 66 127 A G T < 5S+ 0 0 8 -3,-1.7 2,-0.2 -64,-0.5 -3,-0.2 0.840 80.1 124.2 57.9 41.4 19.6 7.0 42.6 67 128 A L < - 0 0 23 -5,-2.8 -1,-0.1 -6,-0.1 -3,-0.1 -0.645 45.9-166.1-124.6 72.6 17.9 4.7 40.2 68 129 A Y - 0 0 9 -2,-0.2 -30,-0.6 -5,-0.2 -29,-0.6 -0.402 1.4-156.6 -65.6 124.1 15.7 7.2 38.3 69 130 A P E -b 39 0B 0 0, 0.0 2,-0.5 0, 0.0 -29,-0.2 -0.735 19.0-123.1 -94.2 149.7 12.9 5.9 36.1 70 131 A I E -b 40 0B 0 -31,-2.6 -29,-2.2 -2,-0.3 2,-0.5 -0.826 33.6-153.9 -79.5 127.3 11.2 7.6 33.2 71 132 A V E -bd 41 172B 0 100,-2.1 102,-3.3 -2,-0.5 2,-0.4 -0.921 16.1-177.9-112.1 125.8 7.5 7.6 34.1 72 133 A L E -bd 42 173B 0 -31,-2.4 -29,-2.6 -2,-0.5 2,-0.3 -0.992 11.4-176.4-122.0 126.3 4.7 7.7 31.5 73 134 A H E -bd 43 174B 0 100,-2.3 102,-0.8 -2,-0.4 -29,-0.2 -0.860 14.7-143.4-125.4 157.0 1.1 7.8 32.6 74 135 A G - 0 0 8 -31,-2.1 2,-0.5 -2,-0.3 114,-0.1 -0.270 32.6 -98.4 -95.8-174.3 -2.3 7.8 31.0 75 136 A T - 0 0 22 -2,-0.1 -30,-0.2 1,-0.1 -29,-0.2 -0.973 47.9-146.7-103.5 131.8 -5.5 9.5 31.9 76 137 A G > - 0 0 9 -2,-0.5 3,-1.0 -31,-0.3 4,-0.4 0.265 44.0 -52.0 -81.9-156.0 -7.6 7.1 33.8 77 138 A P T >> S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.770 115.2 86.7 -48.5 -32.4 -11.4 6.5 34.1 78 139 A Q H 3> S+ 0 0 45 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.861 79.6 61.1 -37.5 -55.7 -11.9 10.2 34.8 79 140 A V H <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.868 108.1 42.6 -43.2 -52.7 -12.0 11.2 31.1 80 141 A N H <> S+ 0 0 42 -3,-0.8 4,-2.4 -4,-0.4 -1,-0.3 0.897 115.7 49.5 -64.0 -41.2 -15.1 9.0 30.5 81 142 A G H X S+ 0 0 44 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.919 110.4 49.8 -60.4 -47.7 -16.7 10.2 33.8 82 143 A R H X S+ 0 0 89 -4,-3.4 4,-1.6 2,-0.2 -2,-0.2 0.871 113.8 45.7 -60.1 -42.1 -16.1 13.9 33.0 83 144 A L H X>S+ 0 0 1 -4,-2.2 5,-2.3 -5,-0.3 4,-1.3 0.875 111.7 52.3 -65.2 -40.1 -17.6 13.3 29.5 84 145 A E H <5S+ 0 0 102 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.814 104.7 56.9 -66.3 -32.0 -20.5 11.4 31.2 85 146 A A H <5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.912 113.3 38.4 -63.2 -45.2 -21.0 14.4 33.5 86 147 A Q H <5S- 0 0 116 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.627 123.2-111.5 -79.2 -16.8 -21.5 16.7 30.5 87 148 A G T <5 + 0 0 53 -4,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.402 68.1 139.3 107.0 1.3 -23.4 13.8 28.8 88 149 A I < - 0 0 58 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.620 45.6-135.2 -84.1 132.4 -21.2 12.8 26.0 89 150 A E - 0 0 122 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.0 -0.705 18.9-118.9 -87.3 132.7 -20.8 9.0 25.3 90 151 A P - 0 0 36 0, 0.0 2,-0.6 0, 0.0 9,-0.1 -0.596 25.1-158.4 -69.3 123.9 -17.3 7.5 24.6 91 152 A D - 0 0 91 -2,-0.4 7,-3.4 7,-0.3 2,-0.4 -0.932 12.1-179.7-103.2 115.1 -17.0 5.9 21.2 92 153 A Y E -I 97 0C 104 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.876 4.3-173.0-105.0 147.0 -14.3 3.3 20.8 93 154 A I E > S-I 96 0C 70 3,-2.2 3,-1.0 -2,-0.4 -2,-0.0 -0.966 75.1 -10.1-141.8 124.9 -13.6 1.5 17.5 94 155 A D T 3 S- 0 0 102 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.611 134.3 -52.0 60.3 16.1 -11.1 -1.4 17.1 95 156 A G T 3 S+ 0 0 14 1,-0.3 2,-0.3 151,-0.1 -1,-0.2 0.580 116.1 107.3 98.3 14.6 -10.0 -0.4 20.7 96 157 A I E < -I 93 0C 32 -3,-1.0 -3,-2.2 92,-0.0 -1,-0.3 -0.971 67.4-114.4-131.1 143.2 -9.4 3.4 20.1 97 158 A R E -I 92 0C 26 -2,-0.3 2,-1.8 -5,-0.2 -5,-0.2 -0.520 19.8-127.2 -80.5 132.6 -11.3 6.5 21.3 98 159 A I - 0 0 40 -7,-3.4 2,-1.3 -2,-0.3 -7,-0.3 -0.586 34.6-166.9 -74.8 87.0 -13.0 8.8 18.8 99 160 A T B +j 148 0D 0 -2,-1.8 50,-1.9 48,-1.3 87,-0.1 -0.646 10.3 177.3 -88.2 90.2 -11.4 11.9 20.1 100 161 A D > - 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0 0 73 0, 0.0 3,-1.0 0, 0.0 29,-0.2 -0.187 37.6 -98.9 -75.3 175.5 17.6 -8.0 22.8 261 322 A R T 3 S+ 0 0 179 1,-0.2 29,-0.3 27,-0.1 28,-0.2 0.686 115.1 68.6 -70.1 -20.5 16.7 -11.3 24.4 262 323 A S T 3 S+ 0 0 107 26,-0.1 -1,-0.2 27,-0.1 -3,-0.0 0.764 85.9 87.3 -68.1 -27.9 17.7 -10.1 27.9 263 324 A S < + 0 0 12 -3,-1.0 26,-0.5 -7,-0.1 2,-0.3 -0.213 51.9 173.6 -76.6 165.8 14.9 -7.6 28.2 264 325 A S - 0 0 25 -61,-0.2 -59,-1.1 24,-0.1 2,-0.6 -0.924 26.9-131.5-171.3 141.8 11.4 -8.2 29.4 265 326 A V E -fH 205 287B 0 22,-1.7 22,-1.4 -2,-0.3 2,-0.4 -0.913 21.1-159.5-107.1 120.9 8.2 -6.3 30.2 266 327 A A E -fH 206 286B 1 -61,-2.4 -59,-3.1 -2,-0.6 2,-0.5 -0.808 3.5-158.8 -98.3 138.0 6.6 -6.9 33.6 267 328 A I E +fH 207 285B 0 18,-3.2 18,-2.6 -2,-0.4 2,-0.3 -0.965 33.9 145.8-115.9 111.8 2.9 -6.1 34.1 268 329 A I E -f 208 0B 0 -61,-2.3 -59,-1.8 -2,-0.5 -55,-0.3 -0.879 50.8 -90.8-141.6 168.9 2.2 -5.7 37.9 269 330 A N > - 0 0 35 -57,-0.3 3,-2.0 -2,-0.3 4,-0.2 -0.548 44.3-113.3 -76.7 149.1 0.2 -4.0 40.6 270 331 A V G > S+ 0 0 2 -61,-0.3 3,-2.1 1,-0.3 4,-0.3 0.883 113.6 62.6 -50.9 -43.2 1.9 -0.9 42.1 271 332 A Q G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.611 102.6 50.6 -62.3 -14.8 2.3 -2.6 45.5 272 333 A D G <> S+ 0 0 35 -3,-2.0 4,-1.9 1,-0.1 -1,-0.3 0.294 79.8 101.8-105.6 9.5 4.6 -5.2 43.9 273 334 A L H <> S+ 0 0 1 -3,-2.1 4,-1.5 2,-0.2 5,-0.2 0.884 78.9 48.6 -65.3 -44.3 7.0 -2.8 42.2 274 335 A Q H >> S+ 0 0 42 -4,-0.3 4,-1.8 1,-0.2 3,-0.5 0.973 115.6 43.4 -61.6 -51.9 9.9 -2.9 44.6 275 336 A K H 3> S+ 0 0 104 1,-0.2 6,-0.7 -4,-0.2 4,-0.6 0.805 110.7 56.8 -67.8 -26.4 10.0 -6.7 44.8 276 337 A E H 3< S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.9 41.9 -68.9 -32.8 9.6 -7.0 41.0 277 338 A L H << S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.876 127.9 22.8 -82.6 -38.6 12.6 -4.8 40.3 278 339 A F H < S+ 0 0 1 -4,-1.8 -3,-0.2 -5,-0.2 2,-0.2 0.862 122.0 43.3-107.9 -45.9 15.2 -6.1 42.8 279 340 A T S < S- 0 0 28 -4,-0.6 2,-0.7 -5,-0.4 -257,-0.0 -0.441 93.1-111.8 -83.8 174.1 14.1 -9.6 43.8 280 341 A D - 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0 0 78 -2,-0.4 4,-2.2 289,-0.2 5,-0.2 -0.130 33.9-104.0 -68.0 170.0 25.5 31.3 51.8 298 68 B R H > S+ 0 0 81 287,-0.2 4,-2.5 1,-0.2 5,-0.2 0.858 121.8 52.6 -67.3 -34.5 27.7 34.3 52.8 299 69 B S H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 108.3 51.2 -63.6 -47.6 27.9 35.5 49.1 300 70 B T H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.949 113.5 43.3 -57.2 -51.7 24.1 35.4 48.8 301 71 B V H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.873 111.0 55.1 -62.4 -39.3 23.6 37.5 51.9 302 72 B I H X S+ 0 0 36 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.941 110.1 47.4 -58.8 -43.5 26.4 39.9 51.0 303 73 B Q H X S+ 0 0 68 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.831 109.5 53.5 -68.4 -31.1 24.6 40.5 47.7 304 74 B L H >X S+ 0 0 3 -4,-1.8 3,-1.3 -5,-0.2 4,-1.0 0.952 108.9 48.2 -64.3 -48.5 21.3 40.9 49.5 305 75 B L H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.815 106.3 59.6 -62.0 -31.1 22.9 43.6 51.8 306 76 B N H 3< S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.642 108.8 43.5 -71.6 -16.1 24.3 45.3 48.6 307 77 B N H << S+ 0 0 26 -3,-1.3 2,-0.6 -4,-0.6 -1,-0.2 0.633 105.4 69.3 -99.5 -14.0 20.8 45.7 47.2 308 78 B I < + 0 0 0 -4,-1.0 -1,-0.1 -3,-0.3 262,-0.1 -0.904 43.7 139.6-117.8 111.7 19.1 47.0 50.4 309 79 B S + 0 0 31 -2,-0.6 296,-0.2 -3,-0.1 2,-0.2 0.728 56.8 57.1-117.9 -35.5 19.9 50.4 51.9 310 80 B T S > S- 0 0 54 291,-0.1 4,-1.6 1,-0.1 291,-0.2 -0.562 81.3-113.8 -98.7 165.7 16.7 52.0 53.2 311 81 B K H > S+ 0 0 101 289,-0.7 4,-2.4 1,-0.2 5,-0.2 0.904 115.2 49.7 -64.2 -43.4 14.1 50.8 55.7 312 82 B R H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 107.4 55.4 -70.0 -29.0 11.3 50.5 53.1 313 83 B E H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 109.8 48.1 -62.8 -40.1 13.5 48.5 50.8 314 84 B V H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.919 112.1 46.9 -63.2 -46.8 14.1 46.2 53.7 315 85 B E H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.868 108.9 56.0 -67.1 -37.3 10.3 45.9 54.5 316 86 B Q H X S+ 0 0 31 -4,-2.5 4,-1.4 2,-0.2 5,-0.2 0.954 109.8 45.4 -56.6 -52.7 9.5 45.3 50.8 317 87 B Y H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 3,-0.5 0.935 113.1 49.6 -58.7 -49.8 11.9 42.4 50.7 318 88 B L H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.839 105.0 59.9 -58.0 -36.2 10.6 40.9 54.0 319 89 B K H < S+ 0 0 109 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.905 115.9 31.7 -58.4 -42.6 7.0 41.2 52.8 320 90 B Y H < S+ 0 0 27 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.726 115.3 58.7 -93.4 -21.8 7.7 39.0 49.8 321 91 B F H < S+ 0 0 5 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.912 118.6 30.8 -67.8 -44.3 10.3 36.8 51.5 322 92 B T S < S+ 0 0 68 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.481 91.4 123.9 -94.1 -9.6 7.8 35.8 54.2 323 93 B S - 0 0 45 -4,-0.5 -3,-0.1 -5,-0.2 -4,-0.0 -0.340 39.1-170.8 -59.6 135.9 4.6 36.0 52.1 324 94 B V + 0 0 152 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.204 50.9 105.3-106.0 12.5 2.5 32.8 52.1 325 95 B S S S- 0 0 60 2,-0.2 2,-1.1 1,-0.0 -2,-0.0 -0.579 78.7-115.2-116.1 157.4 0.1 33.9 49.4 326 96 B Q S S+ 0 0 118 -2,-0.2 2,-0.4 2,-0.1 -1,-0.0 -0.292 88.8 94.8 -82.4 47.9 -1.0 33.6 45.7 327 97 B Q S S- 0 0 57 -2,-1.1 -2,-0.2 0, 0.0 165,-0.1 -0.942 73.6-145.8-130.5 116.9 -0.1 37.2 44.9 328 98 B Q - 0 0 21 163,-0.8 166,-1.0 -2,-0.4 3,-0.1 0.017 18.4-124.3 -88.4-178.5 3.4 37.1 43.5 329 99 B F S S- 0 0 13 1,-0.3 166,-1.6 30,-0.3 2,-0.3 0.888 80.4 -9.2 -86.4 -48.9 6.6 39.1 43.5 330 100 B A E -r 495 0I 0 29,-0.2 31,-2.9 164,-0.2 2,-0.5 -0.996 38.1-149.9-159.2 138.5 7.3 39.5 39.9 331 101 B V E -rs 496 361I 0 164,-2.1 166,-2.7 -2,-0.3 2,-0.5 -0.992 28.0-169.8-106.2 121.2 6.5 38.6 36.3 332 102 B I E -rs 497 362I 0 29,-2.5 31,-2.1 -2,-0.5 2,-0.6 -0.970 7.7-158.0-112.3 120.4 9.6 38.9 34.3 333 103 B K E -rs 498 363I 20 164,-3.0 166,-3.4 -2,-0.5 2,-0.6 -0.880 10.2-154.1 -98.7 124.6 9.4 38.7 30.5 334 104 B V E -rs 499 364I 0 29,-2.3 31,-2.2 -2,-0.6 166,-0.1 -0.847 13.0-131.2-104.7 115.8 12.7 37.7 28.8 335 105 B G >> - 0 0 12 164,-1.8 3,-1.0 -2,-0.6 4,-0.6 -0.427 21.3-128.1 -57.0 130.6 13.4 38.8 25.2 336 106 B G H >> S+ 0 0 4 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.870 106.8 67.6 -49.0 -41.9 14.5 35.7 23.3 337 107 B A H >> S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 3,-1.3 0.910 93.3 59.5 -42.2 -48.9 17.6 37.6 22.2 338 108 B I H <> S+ 0 0 4 -3,-1.0 4,-2.8 1,-0.3 -1,-0.2 0.768 97.7 58.3 -57.1 -34.2 18.8 37.7 25.8 339 109 B I H << S+ 0 0 1 -3,-1.2 4,-0.3 -4,-0.6 -1,-0.3 0.798 117.1 32.0 -69.0 -31.6 19.0 33.9 26.1 340 110 B S H << S+ 0 0 58 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.602 128.0 40.4-102.1 -12.3 21.4 33.5 23.2 341 111 B D H < S+ 0 0 91 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.717 133.5 9.7-102.8 -31.2 23.2 36.8 23.7 342 112 B N S X S+ 0 0 57 -4,-2.8 4,-1.9 -5,-0.3 5,-0.2 -0.222 71.8 144.6-150.0 50.1 23.6 37.1 27.5 343 113 B L H > + 0 0 38 -4,-0.3 4,-3.4 1,-0.2 5,-0.2 0.874 69.5 54.9 -65.9 -43.2 22.6 33.8 29.2 344 114 B H H > S+ 0 0 122 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.945 112.1 42.6 -60.8 -49.8 25.1 33.7 32.0 345 115 B E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 115.5 49.8 -66.0 -38.3 24.2 37.1 33.4 346 116 B L H X S+ 0 0 0 -4,-1.9 4,-2.0 -8,-0.2 5,-0.3 0.948 113.7 46.5 -62.3 -45.2 20.4 36.4 32.9 347 117 B A H X S+ 0 0 1 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.912 110.9 53.2 -65.9 -40.0 20.9 33.1 34.7 348 118 B S H X S+ 0 0 37 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.869 108.7 48.1 -60.5 -40.7 22.9 34.7 37.5 349 119 B C H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.957 115.6 42.8 -67.3 -49.5 20.3 37.4 38.3 350 120 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.922 112.3 55.9 -61.8 -42.7 17.4 35.0 38.4 351 121 B A H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.936 106.9 49.6 -54.3 -48.3 19.7 32.6 40.4 352 122 B F H X S+ 0 0 6 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.893 108.3 52.6 -58.7 -43.5 20.3 35.3 43.0 353 123 B L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.9 0.954 111.1 47.1 -57.5 -51.3 16.6 36.0 43.3 354 124 B Y H ><5S+ 0 0 36 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.919 107.6 57.2 -52.6 -46.9 15.9 32.3 44.0 355 125 B H H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.733 106.1 49.0 -66.3 -19.5 18.8 32.2 46.5 356 126 B V T <<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.194 126.9 -99.7 -98.9 13.9 17.2 35.0 48.5 357 127 B G T < 5S+ 0 0 4 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.727 79.7 133.2 81.4 22.3 13.8 33.1 48.5 358 128 B L < - 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0 0 53 1,-0.1 2,-0.5 2,-0.0 64,-0.5 -0.205 360.0-160.6 -49.6 116.6 30.1 27.9 58.6 585 64 C F B +F 647 0O 24 62,-0.2 -287,-0.2 63,-0.1 62,-0.2 -0.907 23.3 157.8 -93.6 127.2 27.9 30.7 57.4 586 65 C S - 0 0 49 60,-3.5 2,-1.0 -2,-0.5 -289,-0.2 -0.631 24.8-159.2-155.0 91.7 24.4 29.5 57.0 587 66 C A E -Q 296 0H 2 -291,-2.4 -291,-1.1 -2,-0.2 60,-0.1 -0.615 13.0-167.5 -78.5 102.0 21.6 32.1 57.1 588 67 C T E > -Q 295 0H 38 -2,-1.0 4,-2.3 -293,-0.2 5,-0.2 -0.182 42.0 -90.9 -73.9 177.1 18.3 30.3 57.8 589 68 C R H > S+ 0 0 100 -295,-0.5 4,-2.4 1,-0.2 5,-0.2 0.965 130.3 48.8 -56.9 -52.5 15.0 32.2 57.4 590 69 C S H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.781 109.4 54.7 -60.8 -28.1 15.0 33.4 60.9 591 70 C T H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 108.3 47.5 -66.5 -49.0 18.6 34.6 60.4 592 71 C V H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.898 113.4 48.2 -61.2 -40.7 17.7 36.6 57.4 593 72 C I H X S+ 0 0 52 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.878 113.4 47.0 -67.1 -37.3 14.8 38.2 59.2 594 73 C Q H X S+ 0 0 45 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.853 111.3 52.1 -73.8 -33.7 16.9 39.0 62.3 595 74 C L H < S+ 0 0 4 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.916 119.8 33.2 -67.0 -43.7 19.7 40.5 60.2 596 75 C L H < S+ 0 0 0 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.648 93.8 91.6 -88.4 -16.8 17.3 42.8 58.3 597 76 C N H < S+ 0 0 72 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.822 101.2 22.3 -57.2 -42.8 14.8 43.6 61.0 598 77 C N S < S+ 0 0 140 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.465 91.9 117.6-107.7 1.4 16.5 46.7 62.5 599 78 C I + 0 0 2 -3,-0.4 -285,-0.1 -4,-0.3 3,-0.1 -0.471 22.6 144.1 -62.8 130.4 18.6 47.7 59.4 600 79 C S + 0 0 39 1,-0.3 -289,-0.7 -2,-0.2 2,-0.3 0.500 53.1 50.2-144.5 -26.1 17.5 51.2 58.2 601 80 C T S >> S- 0 0 70 -291,-0.2 4,-1.8 -290,-0.1 3,-0.8 -0.897 78.6-118.0-121.7 154.3 20.5 53.1 56.9 602 81 C K H 3> S+ 0 0 93 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.696 114.9 66.6 -58.1 -21.3 23.4 52.3 54.5 603 82 C R H 3> S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.914 102.6 43.3 -64.2 -45.1 25.6 52.8 57.6 604 83 C E H <> S+ 0 0 42 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.883 113.4 51.4 -70.5 -39.5 24.1 49.7 59.3 605 84 C V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.942 110.5 49.6 -57.3 -45.6 24.3 47.7 56.1 606 85 C E H X S+ 0 0 107 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.818 106.1 56.8 -68.3 -30.9 27.9 48.6 55.8 607 86 C Q H X S+ 0 0 17 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.917 107.8 47.0 -65.6 -42.5 28.6 47.7 59.4 608 87 C Y H X S+ 0 0 9 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.891 109.2 53.9 -67.9 -38.2 27.3 44.1 58.8 609 88 C L H X S+ 0 0 15 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.869 101.1 62.2 -61.0 -36.3 29.3 43.8 55.6 610 89 C K H X S+ 0 0 135 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.950 110.9 37.1 -51.5 -52.9 32.4 44.7 57.7 611 90 C Y H < S+ 0 0 17 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.743 119.9 46.7 -74.7 -28.6 32.0 41.6 59.9 612 91 C F H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.7 45.8 -85.1 -33.9 30.9 39.3 57.1 613 92 C T H < S+ 0 0 86 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.634 93.2 110.3 -81.7 -14.3 33.5 40.2 54.5 614 93 C S < - 0 0 63 -4,-0.8 -3,-0.1 -5,-0.3 -4,-0.0 -0.109 49.1-168.5 -58.5 155.8 36.2 40.0 57.2 615 94 C V + 0 0 129 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.130 33.2 148.5-136.3 35.5 38.7 37.2 57.2 616 95 C S - 0 0 61 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.512 43.8-152.5 -75.6 136.5 40.1 37.7 60.7 617 96 C Q + 0 0 194 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.210 63.3 118.6 -88.1 12.5 41.4 34.7 62.6 618 97 C Q S S- 0 0 92 1,-0.1 2,-0.1 2,-0.0 165,-0.1 -0.586 76.3-106.1 -81.4 141.9 40.5 36.6 65.8 619 98 C Q - 0 0 33 163,-0.6 166,-2.3 -2,-0.3 167,-0.2 -0.427 27.3-142.0 -66.7 139.2 38.0 35.2 68.1 620 99 C F - 0 0 13 30,-0.7 166,-2.3 164,-0.2 2,-0.3 0.938 61.8 -11.9 -76.6 -48.7 34.8 37.2 67.8 621 100 C A E -gh 651 786P 0 29,-0.6 31,-2.6 164,-0.2 2,-0.4 -0.999 35.0-149.4-155.5 147.2 33.4 37.4 71.4 622 101 C V E -gh 652 787P 0 164,-1.6 166,-2.4 -2,-0.3 2,-0.4 -0.974 31.4-167.5-107.5 135.2 33.6 36.4 75.0 623 102 C I E -gh 653 788P 0 29,-2.2 31,-2.1 -2,-0.4 2,-0.5 -0.936 10.1-156.6-134.0 110.2 30.0 36.6 76.4 624 103 C K E -gh 654 789P 23 164,-2.7 166,-3.3 -2,-0.4 2,-0.6 -0.738 10.8-159.5 -91.4 124.9 29.2 36.4 80.1 625 104 C V E -gh 655 790P 0 29,-2.5 31,-2.4 -2,-0.5 2,-0.1 -0.892 15.2-135.0-110.2 113.3 25.7 35.4 81.0 626 105 C G >> - 0 0 16 164,-1.3 3,-1.7 -2,-0.6 4,-0.6 -0.474 24.8-127.1 -53.7 129.3 24.1 36.1 84.4 627 106 C G H >> S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 3,-1.3 0.828 106.8 70.9 -53.4 -34.1 22.4 32.8 85.4 628 107 C A H 3> S+ 0 0 19 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.854 92.8 58.1 -49.6 -36.8 19.2 34.8 85.9 629 108 C I H <> S+ 0 0 4 -3,-1.7 4,-2.1 1,-0.2 8,-0.3 0.781 99.9 56.6 -67.9 -28.9 19.0 35.2 82.1 630 109 C I H << S+ 0 0 1 -3,-1.3 4,-0.4 -4,-0.6 -1,-0.2 0.935 116.1 34.1 -70.0 -45.5 19.0 31.4 81.6 631 110 C S H < S+ 0 0 47 -4,-1.4 -2,-0.2 2,-0.1 3,-0.2 0.878 129.8 35.7 -74.1 -36.0 15.9 30.8 83.7 632 111 C D H < S+ 0 0 101 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.735 133.5 15.4 -94.7 -28.6 14.1 34.1 82.8 633 112 C N S X S+ 0 0 72 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 -0.218 70.8 140.9-142.4 46.8 15.0 34.8 79.1 634 113 C L H > S+ 0 0 30 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.884 75.3 52.6 -59.9 -42.5 16.3 31.5 77.7 635 114 C H H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.3 45.8 -62.3 -43.5 14.5 31.9 74.3 636 115 C E H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.923 114.1 48.5 -65.1 -45.8 16.0 35.4 73.8 637 116 C L H X S+ 0 0 0 -4,-2.4 4,-2.2 -8,-0.3 3,-0.4 0.977 113.7 46.7 -56.9 -55.3 19.4 34.3 74.8 638 117 C A H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.866 110.4 52.4 -56.5 -45.7 19.3 31.3 72.5 639 118 C S H X S+ 0 0 41 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.879 110.6 47.6 -56.8 -42.3 17.9 33.3 69.5 640 119 C C H X S+ 0 0 11 -4,-1.9 4,-1.5 -3,-0.4 -2,-0.2 0.872 115.4 44.0 -72.7 -39.3 20.7 35.9 69.8 641 120 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.862 109.2 58.3 -70.5 -36.9 23.4 33.3 70.0 642 121 C A H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.904 104.1 52.8 -56.6 -41.8 21.7 31.3 67.2 643 122 C F H X S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.940 109.2 47.3 -61.5 -48.2 22.1 34.4 65.0 644 123 C L H <>S+ 0 0 2 -4,-1.5 5,-3.0 1,-0.2 -1,-0.2 0.899 113.3 49.9 -60.4 -40.8 25.9 34.6 65.7 645 124 C Y H ><5S+ 0 0 35 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.916 108.9 51.3 -61.7 -44.5 26.2 30.9 65.0 646 125 C H H 3<5S+ 0 0 17 -4,-2.4 -60,-3.5 1,-0.3 -1,-0.2 0.734 111.1 46.9 -73.3 -24.4 24.3 31.1 61.7 647 126 C V B 3<5S-F 585 0O 2 -4,-1.6 -1,-0.3 -62,-0.2 -62,-0.2 0.060 118.0-112.7 -99.4 20.7 26.5 34.0 60.4 648 127 C G T < 5S+ 0 0 8 -3,-1.5 2,-0.2 -64,-0.5 -3,-0.2 0.832 79.7 124.5 55.3 39.9 29.6 32.1 61.5 649 128 C L < - 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0 0 81 -2,-0.4 4,-2.0 -875,-0.2 5,-0.2 -0.181 33.9-104.5 -70.1 170.8 25.4 7.6 51.4 880 68 D R H > S+ 0 0 75 -877,-0.2 4,-2.4 1,-0.2 5,-0.1 0.842 121.8 53.0 -67.5 -34.4 25.7 4.6 49.1 881 69 D S H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 108.2 51.0 -65.0 -43.8 28.8 3.4 51.0 882 70 D T H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.933 113.4 43.4 -60.8 -48.2 27.0 3.6 54.3 883 71 D V H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.896 111.0 55.1 -65.2 -39.8 24.1 1.6 53.0 884 72 D I H X S+ 0 0 38 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.934 110.2 47.0 -58.7 -43.4 26.4 -0.9 51.3 885 73 D Q H X S+ 0 0 72 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.842 109.7 53.4 -66.5 -34.2 28.1 -1.5 54.6 886 74 D L H >X S+ 0 0 2 -4,-1.9 3,-1.4 1,-0.2 4,-1.1 0.954 109.2 48.4 -64.2 -48.3 24.7 -1.9 56.3 887 75 D L H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.814 105.8 59.7 -62.0 -30.0 23.8 -4.6 53.8 888 76 D N H 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.678 109.4 42.6 -72.1 -15.9 27.1 -6.3 54.4 889 77 D N H << S+ 0 0 28 -3,-1.4 2,-0.6 -4,-0.6 -1,-0.2 0.647 105.4 69.1 -99.4 -16.5 26.3 -6.7 58.1 890 78 D I < + 0 0 0 -4,-1.1 -1,-0.1 -3,-0.2 262,-0.1 -0.893 44.0 138.7-118.3 108.7 22.7 -7.8 57.8 891 79 D S + 0 0 34 -2,-0.6 -868,-0.2 -3,-0.1 -1,-0.2 0.755 56.8 57.9-114.1 -41.2 21.8 -11.2 56.3 892 80 D T S > S- 0 0 55 -873,-0.1 4,-1.6 1,-0.1 -873,-0.2 -0.471 81.2-114.0 -96.4 166.8 18.9 -12.8 58.3 893 81 D K H > S+ 0 0 106 -875,-0.5 4,-2.5 1,-0.2 5,-0.2 0.917 114.9 48.7 -66.2 -44.7 15.4 -11.6 59.1 894 82 D R H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.805 108.0 55.7 -69.9 -26.3 15.9 -11.2 62.9 895 83 D E H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 110.0 47.4 -64.6 -40.7 19.2 -9.2 62.2 896 84 D V H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 112.7 47.1 -64.0 -46.4 17.1 -6.9 60.1 897 85 D E H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.851 109.3 55.5 -66.8 -34.9 14.3 -6.6 62.7 898 86 D Q H X S+ 0 0 28 -4,-2.1 4,-1.4 2,-0.2 5,-0.2 0.958 109.9 45.0 -59.4 -52.5 17.0 -5.9 65.4 899 87 D Y H >X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 3,-0.6 0.951 113.1 49.8 -58.1 -52.1 18.5 -3.0 63.5 900 88 D L H 3X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.856 104.8 60.0 -54.9 -39.6 15.1 -1.5 62.7 901 89 D K H 3< S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 116.1 31.6 -55.8 -43.9 14.0 -1.8 66.3 902 90 D Y H << S+ 0 0 23 -4,-1.4 3,-0.5 -3,-0.6 -2,-0.2 0.725 115.4 59.0 -91.8 -23.4 16.9 0.5 67.5 903 91 D F H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.889 108.0 45.8 -68.0 -42.6 17.0 2.6 64.3 904 92 D T S < S- 0 0 69 -4,-2.5 2,-2.4 -5,-0.2 -1,-0.2 0.302 102.0-143.9 -88.3 7.2 13.4 3.7 64.7 905 93 D S + 0 0 70 -3,-0.5 4,-0.5 -5,-0.1 2,-0.3 -0.324 28.2 174.5 76.1 -61.3 14.1 4.4 68.4 906 94 D V + 0 0 105 -2,-2.4 -4,-0.1 2,-0.1 2,-0.1 -0.395 55.3 7.3 58.1-111.5 10.8 3.3 70.0 907 95 D S S S- 0 0 75 -2,-0.3 2,-2.7 1,-0.1 0, 0.0 -0.225 98.2 -74.9 -93.7-176.9 11.2 3.5 73.8 908 96 D Q S S+ 0 0 153 -2,-0.1 2,-0.6 2,-0.0 -2,-0.1 -0.230 86.8 133.7 -71.6 51.1 13.9 4.8 76.2 909 97 D Q - 0 0 74 -2,-2.7 2,-0.1 -4,-0.5 165,-0.1 -0.924 46.9-146.8-113.7 112.8 15.9 1.7 75.3 910 98 D Q - 0 0 29 163,-0.7 166,-1.1 -2,-0.6 3,-0.1 -0.397 5.6-143.0 -78.4 155.5 19.5 2.2 74.4 911 99 D F - 0 0 8 30,-0.3 166,-1.5 1,-0.3 2,-0.3 0.882 69.4 -5.1 -84.7 -45.3 21.3 -0.0 71.9 912 100 D A E -v 1077 0V 1 29,-0.3 31,-2.8 164,-0.2 2,-0.6 -0.994 39.4-150.8-158.0 138.6 24.8 -0.4 73.3 913 101 D V E -vw1078 943V 0 164,-2.3 166,-2.4 -2,-0.3 2,-0.5 -0.988 28.0-169.1-105.8 119.2 27.2 0.5 76.0 914 102 D I E -vw1079 944V 0 29,-2.6 31,-2.3 -2,-0.6 2,-0.6 -0.946 7.7-158.6-110.2 121.6 30.7 0.3 74.5 915 103 D K E -vw1080 945V 20 164,-2.9 166,-3.5 -2,-0.5 2,-0.6 -0.880 10.3-154.9 -99.5 126.1 33.8 0.5 76.9 916 104 D V E -vw1081 946V 0 29,-2.4 31,-2.2 -2,-0.6 166,-0.1 -0.880 13.6-130.5-109.1 115.5 37.0 1.5 75.1 917 105 D G >> - 0 0 10 164,-1.7 3,-1.0 -2,-0.6 4,-0.6 -0.383 21.0-127.9 -56.1 131.9 40.3 0.5 76.5 918 106 D G H >> S+ 0 0 5 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.868 107.1 66.8 -50.5 -41.9 42.5 3.6 76.7 919 107 D A H >> S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 3,-1.3 0.895 93.6 59.7 -42.4 -48.4 45.2 1.7 74.8 920 108 D I H <> S+ 0 0 6 -3,-1.0 4,-2.6 1,-0.3 -1,-0.2 0.777 97.4 58.8 -58.0 -33.1 42.9 1.5 71.7 921 109 D I H << S+ 0 0 1 -3,-1.2 -1,-0.3 -4,-0.6 4,-0.2 0.801 116.9 31.6 -71.2 -29.1 42.7 5.3 71.4 922 110 D S H << S+ 0 0 57 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.588 127.9 40.8-102.9 -11.4 46.5 5.7 71.0 923 111 D D H < S+ 0 0 96 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.717 133.1 9.9-103.3 -31.3 47.1 2.4 69.3 924 112 D N S X S+ 0 0 61 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 -0.226 72.2 145.1-149.1 49.8 44.2 2.1 66.8 925 113 D L H > + 0 0 37 -4,-0.2 4,-3.2 1,-0.2 5,-0.2 0.896 69.8 54.5 -64.2 -44.8 42.2 5.4 66.6 926 114 D H H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.945 112.1 42.3 -59.2 -50.7 41.3 5.4 63.0 927 115 D E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 115.2 50.7 -68.0 -36.3 39.6 2.0 63.0 928 116 D L H X S+ 0 0 0 -4,-2.0 4,-2.0 -8,-0.2 5,-0.2 0.943 113.5 46.0 -62.1 -44.3 37.9 2.7 66.4 929 117 D A H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.896 110.6 54.0 -66.6 -40.1 36.7 6.0 64.9 930 118 D S H X S+ 0 0 36 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.0 47.1 -60.4 -41.7 35.5 4.3 61.7 931 119 D C H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.971 115.8 43.2 -68.0 -50.1 33.4 1.7 63.5 932 120 D L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.933 113.1 54.7 -59.8 -43.4 31.7 4.1 65.7 933 121 D A H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.910 107.1 50.5 -53.1 -47.1 31.3 6.4 62.7 934 122 D F H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.913 108.4 51.7 -60.7 -44.0 29.6 3.7 60.8 935 123 D L H ><>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 3,-0.8 0.959 111.2 47.6 -57.2 -50.9 27.2 3.0 63.7 936 124 D Y H ><5S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.885 107.9 56.1 -54.2 -43.7 26.3 6.7 63.8 937 125 D H H 3<5S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 106.9 48.9 -68.6 -21.7 25.8 6.8 60.0 938 126 D V T <<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.214 126.9-100.1 -96.9 12.6 23.2 4.0 60.2 939 127 D G T < 5S+ 0 0 2 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.686 78.8 134.3 82.6 20.2 21.4 5.8 63.0 940 128 D L < - 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