==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, TRANSFERASE 03-FEB-03 1J3I . COMPND 2 MOLECULE: BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.YUVANIYAMA,P.CHITNUMSUB,S.KAMCHONWONGPAISAN, . 1104 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 771 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 12.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 4 4 3 2 4 1 4 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 0 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 5 4 2 1 0 0 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 1 A M 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.1 48.3 -24.1 54.0 2 2 A M - 0 0 148 1,-0.1 2,-0.2 78,-0.0 78,-0.0 -0.028 360.0-119.9 -51.8 158.3 46.2 -22.9 57.0 3 3 A E - 0 0 76 77,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.669 16.4-117.5-103.7 156.9 44.0 -19.8 56.5 4 4 A Q >> - 0 0 120 -2,-0.2 4,-1.5 1,-0.1 3,-1.3 -0.705 28.1-114.0 -94.4 147.4 44.1 -16.4 58.2 5 5 A V H 3> S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.3 5,-0.3 0.855 110.1 61.0 -41.6 -56.2 41.1 -15.2 60.2 6 6 A C H 34>S+ 0 0 9 162,-0.4 5,-2.0 1,-0.2 4,-0.3 0.809 109.6 45.5 -45.6 -36.9 40.1 -12.3 58.0 7 7 A D H X45S+ 0 0 83 -3,-1.3 3,-1.0 3,-0.2 -1,-0.2 0.967 113.2 44.7 -73.8 -57.3 39.6 -14.7 55.1 8 8 A V H 3<5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.909 123.1 36.5 -54.8 -48.1 37.6 -17.4 56.8 9 9 A F T 3<5S- 0 0 2 -4,-2.7 143,-0.3 -5,-0.2 -1,-0.3 0.432 105.0-128.1 -89.7 4.4 35.3 -15.1 58.6 10 10 A D T < 5 - 0 0 0 -3,-1.0 142,-2.3 -5,-0.3 2,-0.5 0.954 36.6-176.1 47.3 66.1 35.1 -12.5 55.8 11 11 A I E < +a 152 0A 0 -5,-2.0 160,-2.7 158,-0.2 161,-0.4 -0.828 5.2 172.4 -99.1 124.6 36.0 -9.5 57.9 12 12 A Y E -a 153 0A 0 140,-3.1 142,-4.1 -2,-0.5 2,-0.4 -0.858 25.5-135.7-128.1 162.9 36.0 -6.1 56.2 13 13 A A E -ab 154 173A 0 159,-2.2 161,-3.0 -2,-0.3 2,-0.4 -0.900 16.2-173.7-118.3 143.8 36.3 -2.4 57.0 14 14 A I E + b 0 174A 4 140,-1.8 2,-0.3 -2,-0.4 161,-0.2 -0.993 20.1 146.9-138.4 129.3 34.0 0.3 55.7 15 15 A C E - b 0 175A 9 159,-2.4 161,-2.0 -2,-0.4 2,-0.4 -0.922 37.3-130.9-151.7 178.3 34.7 4.0 56.4 16 16 A A E - b 0 176A 11 -2,-0.3 2,-0.4 159,-0.2 161,-0.2 -0.997 22.6-169.2-139.7 131.5 34.4 7.5 55.0 17 17 A C E - b 0 177A 0 159,-2.9 161,-3.0 -2,-0.4 23,-0.2 -0.985 4.4-168.7-131.5 138.9 37.3 10.0 55.0 18 18 A C E -C 39 0A 0 21,-1.5 21,-2.5 -2,-0.4 20,-1.7 -0.404 38.3 -84.8-108.4-175.1 37.5 13.7 54.2 19 19 A K E -Cb 37 181A 16 161,-2.4 163,-1.7 159,-0.4 2,-0.4 -0.675 50.2-110.8 -91.1 150.8 40.4 16.0 53.7 20 20 A V E - b 0 182A 29 16,-0.5 163,-0.2 -2,-0.3 161,-0.1 -0.712 6.9-139.6 -92.1 135.8 42.0 17.5 56.8 21 21 A E + 0 0 109 161,-1.6 162,-0.1 -2,-0.4 -1,-0.1 0.374 52.0 138.5 -68.8 1.6 41.9 21.1 57.9 22 22 A S - 0 0 96 1,-0.1 2,-0.9 162,-0.0 -2,-0.0 -0.332 68.4-112.0 -49.8 125.5 45.5 21.3 59.1 23 23 A K - 0 0 178 2,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.555 26.7-147.2 -69.8 102.8 46.3 24.7 57.7 24 24 A N > - 0 0 66 -2,-0.9 3,-0.6 1,-0.2 4,-0.1 -0.528 8.0-142.5 -65.4 131.0 48.8 24.1 54.9 25 25 A E T 3 S+ 0 0 205 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.344 98.4 40.8 -82.2 17.2 51.0 27.2 55.0 26 26 A G T 3 + 0 0 36 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 -0.280 55.7 163.7-157.0 61.9 50.9 26.8 51.2 27 27 A K X + 0 0 167 -3,-0.6 3,-0.8 2,-0.1 2,-0.7 0.825 66.2 93.3 -50.3 -27.7 47.5 25.8 49.8 28 28 A K T 3 S- 0 0 177 1,-0.3 -1,-0.0 -4,-0.1 -3,-0.0 -0.573 106.7 -9.8 -72.3 108.7 49.3 27.0 46.7 29 29 A N T 3 S+ 0 0 101 -2,-0.7 -1,-0.3 1,-0.1 2,-0.2 0.965 87.6 171.2 67.7 56.6 50.9 23.9 45.1 30 30 A E < - 0 0 73 -3,-0.8 2,-0.3 1,-0.0 -1,-0.1 -0.561 32.5-110.6 -92.8 162.3 50.4 21.3 47.8 31 31 A V - 0 0 121 -2,-0.2 2,-0.3 738,-0.0 740,-0.1 -0.725 29.5-159.1 -96.3 142.6 51.1 17.6 47.4 32 32 A F + 0 0 29 738,-0.4 2,-0.3 -2,-0.3 740,-0.1 -0.902 21.2 148.3-123.4 152.0 48.4 15.0 47.2 33 33 A N > - 0 0 73 -2,-0.3 3,-2.3 738,-0.1 4,-0.4 -0.905 65.2 -78.6-161.8 175.4 48.3 11.2 47.8 34 34 A N G > S+ 0 0 39 1,-0.3 3,-2.5 -2,-0.3 -1,-0.0 0.897 126.0 66.8 -54.0 -38.5 45.7 8.7 49.1 35 35 A Y G 3 S+ 0 0 78 1,-0.3 -1,-0.3 156,-0.1 153,-0.1 0.581 79.3 82.4 -57.2 -12.9 46.6 9.8 52.7 36 36 A T G < S+ 0 0 15 -3,-2.3 2,-1.0 1,-0.2 -16,-0.5 0.877 85.7 60.6 -60.9 -36.9 45.1 13.1 51.7 37 37 A F E < +C 19 0A 3 -3,-2.5 -18,-0.2 -4,-0.4 -1,-0.2 -0.801 68.4 113.3 -96.3 100.1 41.7 11.4 52.6 38 38 A R E + 0 0 61 -20,-1.7 150,-1.8 -2,-1.0 2,-0.6 0.368 26.8 125.4-145.9 -1.4 42.1 10.6 56.3 39 39 A G E +CD 18 187A 0 -21,-2.5 -21,-1.5 -3,-0.3 148,-0.2 -0.566 24.1 163.6 -71.2 113.9 39.6 12.7 58.3 40 40 A L E - 0 0 16 146,-2.0 2,-0.3 -2,-0.6 147,-0.2 0.894 52.9 -20.2 -96.1 -53.1 37.4 10.3 60.3 41 41 A G E - D 0 186A 9 145,-1.2 144,-2.2 5,-0.2 145,-1.3 -0.892 43.7-146.7-149.4-179.2 35.7 12.3 63.1 42 42 A N B > S-L 45 0B 23 3,-3.1 3,-1.6 142,-0.3 142,-0.1 -0.849 77.9 -14.3-160.7 119.5 35.6 15.4 65.2 43 43 A K T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 141,-0.0 0.859 128.6 -49.9 56.1 39.9 34.4 15.9 68.8 44 44 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.404 126.5 72.4 83.8 -4.1 32.7 12.5 68.8 45 45 A V B < S-L 42 0B 84 -3,-1.6 -3,-3.1 1,-0.0 -1,-0.3 -0.728 93.4 -65.8-132.4-177.3 30.8 13.0 65.6 46 46 A L > - 0 0 70 3,-0.3 3,-1.6 -5,-0.2 -5,-0.2 -0.501 37.5-132.0 -73.3 137.6 31.3 13.1 61.8 47 47 A P T 3 S+ 0 0 12 0, 0.0 136,-0.3 0, 0.0 -1,-0.1 0.846 108.6 42.4 -57.6 -32.4 33.4 16.0 60.5 48 48 A W T 3 S- 0 0 17 1,-0.2 2,-2.5 134,-0.1 -2,-0.0 0.331 98.6-137.9 -96.0 3.0 30.8 16.7 57.9 49 49 A K S < S- 0 0 184 -3,-1.6 2,-0.3 2,-0.1 -3,-0.3 -0.492 73.3 -1.2 77.2 -80.6 27.8 16.2 60.1 50 50 A C - 0 0 72 -2,-2.5 2,-0.3 -3,-0.1 0, 0.0 -0.994 48.7-177.0-147.3 148.6 25.9 14.3 57.4 51 51 A N > - 0 0 4 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.867 12.6-161.4-142.4 105.9 26.2 13.0 53.9 52 52 A S H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.854 88.2 51.8 -61.0 -36.1 23.1 11.2 52.5 53 53 A L H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 111.4 45.7 -67.7 -44.4 24.8 9.5 49.7 54 54 A D H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.876 113.9 50.8 -64.1 -36.4 27.6 8.0 51.8 55 55 A M H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.916 110.3 49.2 -65.8 -43.4 24.9 6.9 54.4 56 56 A K H X S+ 0 0 96 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.904 113.7 46.2 -63.7 -40.3 22.9 5.3 51.7 57 57 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.925 111.9 50.4 -67.3 -45.4 26.0 3.5 50.4 58 58 A F H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.889 113.4 46.7 -59.4 -40.8 27.0 2.4 53.9 59 59 A C H X S+ 0 0 51 -4,-2.4 4,-1.2 2,-0.2 5,-0.2 0.917 112.5 49.4 -68.7 -43.6 23.5 1.1 54.6 60 60 A A H X S+ 0 0 32 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.921 115.8 42.5 -61.9 -46.7 23.4 -0.7 51.2 61 61 A V H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 115.4 46.9 -68.5 -46.6 26.7 -2.4 51.7 62 62 A T H < S+ 0 0 0 -4,-2.4 29,-0.3 -5,-0.3 -1,-0.2 0.659 118.2 42.1 -74.7 -11.1 26.4 -3.4 55.3 63 63 A T H < S+ 0 0 43 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.697 86.7 111.0-106.3 -18.7 22.9 -4.8 54.9 64 64 A Y < + 0 0 62 -4,-1.6 2,-0.3 -5,-0.2 87,-0.1 -0.307 39.8 172.0 -63.6 129.0 23.4 -6.6 51.6 65 65 A V - 0 0 32 -2,-0.1 2,-0.5 85,-0.1 -2,-0.0 -0.969 24.3-156.0-135.0 144.8 23.3 -10.4 51.8 66 66 A N > - 0 0 36 -2,-0.3 3,-1.5 1,-0.1 4,-0.5 -0.904 7.9-167.5-124.6 99.9 23.3 -13.1 49.1 67 67 A E G >> S+ 0 0 123 -2,-0.5 3,-1.2 1,-0.3 4,-0.6 0.823 82.7 61.8 -56.1 -38.5 21.8 -16.3 50.5 68 68 A S G 34 S+ 0 0 107 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 104.7 51.0 -66.0 -14.8 22.8 -18.6 47.7 69 69 A K G <> S+ 0 0 13 -3,-1.5 4,-1.1 1,-0.1 -1,-0.3 0.555 89.6 81.7 -97.0 -10.5 26.5 -17.8 48.5 70 70 A Y H X> S+ 0 0 29 -3,-1.2 4,-2.8 -4,-0.5 3,-0.8 0.926 81.2 60.2 -60.8 -50.1 26.1 -18.6 52.3 71 71 A E H 3X S+ 0 0 156 -4,-0.6 4,-3.1 1,-0.3 5,-0.3 0.883 102.9 52.4 -45.3 -49.2 26.5 -22.4 52.1 72 72 A K H 3> S+ 0 0 92 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.889 114.4 44.2 -56.3 -38.8 29.9 -22.1 50.6 73 73 A L H X>S+ 0 0 22 -4,-2.7 5,-2.0 -5,-0.2 3,-1.4 0.983 110.3 49.4 -61.6 -56.1 32.9 -25.1 59.6 79 79 A K H ><5S+ 0 0 127 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.874 109.0 53.9 -50.1 -41.6 35.8 -26.9 58.0 80 80 A Y H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.788 113.6 41.8 -65.5 -27.9 38.1 -24.3 59.5 81 81 A L H <<5S- 0 0 50 -3,-1.4 -1,-0.3 -4,-1.3 -2,-0.2 0.280 111.5-115.9-102.1 9.7 36.7 -25.1 63.0 82 82 A N T <<5S+ 0 0 145 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.657 83.7 114.5 64.8 14.0 36.6 -28.9 62.5 83 83 A K < + 0 0 131 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.522 41.7 172.6-104.5 176.6 32.8 -28.5 62.9 84 84 A E 0 0 146 -2,-0.2 -9,-0.1 -3,-0.1 -10,-0.0 -0.973 360.0 360.0-176.7 163.9 30.3 -29.2 60.2 85 85 A T 0 0 143 -2,-0.3 -10,-0.0 -10,-0.0 -2,-0.0 -0.451 360.0 360.0 -94.8 360.0 26.6 -29.6 59.2 86 ! 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 87 96 A K 0 0 256 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-150.8 15.8 -16.0 60.9 88 97 A K - 0 0 157 1,-0.1 2,-0.0 0, 0.0 24,-0.0 -0.593 360.0 -96.8 -80.9 140.4 16.8 -14.1 57.8 89 98 A L + 0 0 18 -2,-0.3 2,-0.3 60,-0.1 60,-0.1 -0.324 53.4 178.0 -59.8 137.5 20.5 -14.1 56.9 90 99 A Q - 0 0 52 58,-0.4 60,-2.0 -3,-0.1 2,-0.2 -0.933 27.0-118.2-140.8 164.6 22.3 -11.0 58.1 91 100 A N E -e 113 0A 0 21,-0.6 23,-2.7 -2,-0.3 2,-0.4 -0.515 28.0-122.7 -95.5 167.7 25.7 -9.4 58.2 92 101 A V E -ef 114 152A 0 59,-2.9 61,-3.1 21,-0.2 2,-0.4 -0.887 18.0-161.2-113.1 140.5 27.5 -8.4 61.4 93 102 A V E -ef 115 153A 0 21,-2.7 23,-2.2 -2,-0.4 2,-0.5 -0.993 5.7-163.6-124.7 130.4 28.6 -4.9 62.1 94 103 A V E +ef 116 154A 0 59,-2.8 61,-3.0 -2,-0.4 62,-0.4 -0.978 17.0 164.2-117.7 126.5 31.3 -4.3 64.7 95 104 A M E -e 117 0A 0 21,-2.4 23,-2.5 -2,-0.5 62,-0.3 -0.917 35.1-105.2-138.9 163.8 31.9 -0.9 66.2 96 105 A G E > -e 118 0A 8 60,-1.3 4,-2.4 -2,-0.3 3,-0.2 -0.483 37.3-108.0 -86.5 159.4 33.7 0.8 69.2 97 106 A R H > S+ 0 0 63 21,-1.5 4,-2.0 1,-0.2 5,-0.2 0.885 119.2 52.4 -52.9 -45.3 31.8 2.1 72.2 98 107 A T H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.918 110.2 49.3 -60.7 -40.3 32.4 5.7 71.2 99 108 A S H >> S+ 0 0 23 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.894 106.7 55.0 -65.5 -40.7 31.0 5.0 67.7 100 109 A W H >< S+ 0 0 10 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.919 108.9 48.8 -58.7 -42.0 27.9 3.3 69.1 101 110 A E H 3< S+ 0 0 110 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.682 102.6 62.6 -72.8 -16.9 27.2 6.4 71.2 102 111 A S H << S+ 0 0 53 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.621 84.8 91.9 -83.8 -11.2 27.6 8.7 68.2 103 112 A I S << S- 0 0 34 -3,-1.0 5,-0.1 -4,-0.7 2,-0.1 -0.662 88.2-107.7 -85.0 134.6 24.7 7.1 66.4 104 113 A P >> - 0 0 72 0, 0.0 3,-3.0 0, 0.0 4,-0.6 -0.359 28.7-115.0 -63.4 136.2 21.2 8.7 66.9 105 114 A K G >4 S+ 0 0 182 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.789 111.2 62.6 -36.1 -47.6 18.9 6.7 69.0 106 115 A K G 34 S+ 0 0 171 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.564 103.7 48.5 -62.6 -9.5 16.4 6.1 66.2 107 116 A F G <4 S+ 0 0 108 -3,-3.0 4,-0.3 3,-0.1 -1,-0.3 0.492 89.5 136.6-107.7 -5.2 19.0 4.2 64.1 108 117 A K << + 0 0 48 -3,-1.6 2,-0.1 -4,-0.6 3,-0.0 -0.797 63.0 26.5-102.4 135.0 20.1 1.8 66.9 109 118 A P S S- 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.626 106.1-111.6 -77.2 155.2 20.6 -1.0 66.8 110 119 A L > - 0 0 15 -2,-0.1 3,-1.1 1,-0.1 -2,-0.1 -0.291 44.7-104.0 -54.3 128.1 21.4 -0.7 63.0 111 120 A S T 3 S+ 0 0 69 -4,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.171 91.7 5.0 -60.6 143.3 18.6 -2.5 61.2 112 121 A N T 3 S+ 0 0 98 1,-0.2 -21,-0.6 -3,-0.1 2,-0.3 0.728 110.4 100.7 57.6 23.9 18.8 -5.9 59.6 113 122 A R E < S-e 91 0A 19 -3,-1.1 2,-0.8 -23,-0.2 -21,-0.2 -0.995 78.2-118.7-139.9 145.3 22.3 -6.3 61.0 114 123 A I E -e 92 0A 27 -23,-2.7 -21,-2.7 -2,-0.3 2,-0.4 -0.736 37.0-144.9 -82.1 111.9 23.8 -8.1 64.1 115 124 A N E -e 93 0A 3 -2,-0.8 17,-2.2 15,-0.4 2,-0.4 -0.669 18.8-176.0 -85.3 132.6 25.3 -5.3 66.1 116 125 A V E -eg 94 132A 0 -23,-2.2 -21,-2.4 -2,-0.4 2,-0.4 -0.993 5.6-163.4-128.1 132.0 28.5 -5.9 68.1 117 126 A I E -eg 95 133A 0 15,-2.7 17,-2.5 -2,-0.4 2,-0.5 -0.963 11.0-144.0-122.7 132.3 30.1 -3.4 70.4 118 127 A L E +eg 96 134A 19 -23,-2.5 -21,-1.5 -2,-0.4 2,-0.3 -0.790 37.9 145.1 -93.0 129.6 33.6 -3.3 71.8 119 128 A S - 0 0 12 15,-2.2 -2,-0.0 -2,-0.5 -23,-0.0 -0.980 37.1-178.4-163.9 151.2 33.9 -1.9 75.3 120 129 A R S S+ 0 0 202 -2,-0.3 -1,-0.1 3,-0.1 15,-0.1 0.635 93.6 49.7-116.1 -41.3 35.8 -2.3 78.6 121 130 A T S S+ 0 0 109 2,-0.0 2,-0.3 14,-0.0 -2,-0.1 0.707 110.7 51.5 -74.3 -21.4 34.0 0.3 80.6 122 131 A L - 0 0 40 3,-0.0 2,-0.2 2,-0.0 -3,-0.1 -0.881 64.7-166.5-119.3 152.6 30.5 -0.9 79.7 123 132 A K > - 0 0 123 -2,-0.3 3,-2.2 10,-0.0 4,-0.3 -0.760 44.4 -87.5-127.3 172.6 28.9 -4.4 80.0 124 133 A K G > S+ 0 0 145 1,-0.3 3,-1.4 -2,-0.2 7,-0.1 0.766 122.1 64.9 -53.7 -28.5 25.8 -6.0 78.6 125 134 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.747 95.3 60.3 -67.0 -23.7 23.8 -4.9 81.7 126 135 A D G < S+ 0 0 103 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28.1-105.4-121.6 140.4 16.5 -22.9 21.2 449 228 B K E - U 0 426C 42 -48,-2.6 -23,-0.2 -2,-0.4 2,-0.1 -0.468 39.7-134.2 -63.2 119.4 13.9 -25.6 21.9 450 229 B T - 0 0 12 -25,-2.6 2,-1.4 -2,-0.3 -1,-0.1 -0.446 16.2-116.7 -73.8 153.3 10.9 -23.7 23.3 451 230 B N 0 0 161 1,-0.2 -1,-0.1 -2,-0.1 -26,-0.1 -0.497 360.0 360.0 -91.7 67.5 9.3 -25.2 26.4 452 231 B N 0 0 162 -2,-1.4 -1,-0.2 -27,-0.2 -2,-0.1 -0.003 360.0 360.0-132.5 360.0 5.9 -26.0 24.9 453 !* 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 0.0 454 282 C D 0 0 172 0, 0.0 2,-0.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 123.2 20.7 -21.9 36.4 455 283 C D + 0 0 125 1,-0.2 4,-0.3 2,-0.1 3,-0.2 -0.661 360.0 135.8-105.6 73.2 21.5 -20.7 32.9 456 284 C D >> + 0 0 54 -2,-0.7 4,-0.7 1,-0.2 3,-0.5 0.594 54.7 80.6 -96.6 -10.0 25.0 -21.8 31.9 457 285 C E H >> S+ 0 0 51 1,-0.2 4,-1.0 -3,-0.2 3,-0.5 0.806 88.4 59.5 -64.6 -27.4 24.3 -23.0 28.4 458 286 C E H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.855 91.9 67.8 -68.1 -35.4 24.5 -19.4 27.2 459 287 C E H <> S+ 0 0 101 -3,-0.5 4,-1.0 -4,-0.3 -1,-0.2 0.823 100.8 48.5 -53.7 -35.0 28.1 -19.1 28.5 460 288 C D H < S+ 0 0 3 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.930 104.3 53.5 -61.1 -46.6 31.1 -19.4 19.9 465 293 C F H >< S+ 0 0 8 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.747 103.7 58.6 -61.9 -22.1 30.3 -15.9 18.8 466 294 C N G >< S+ 0 0 52 -4,-1.0 3,-0.9 -3,-0.5 -1,-0.3 0.170 72.4 111.2 -93.2 19.9 33.9 -14.8 19.6 467 295 C F G < S+ 0 0 22 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.776 79.0 44.1 -63.1 -30.8 35.3 -17.4 17.2 468 296 C N G < S+ 0 0 60 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.497 83.6 120.7 -94.3 -3.0 36.6 -14.8 14.8 469 297 C K < - 0 0 149 -3,-0.9 -3,-0.0 1,-0.1 2,-0.0 -0.245 67.9-100.9 -56.0 154.5 38.0 -12.6 17.5 470 298 C E - 0 0 151 1,-0.1 -1,-0.1 4,-0.0 2,-0.1 -0.157 21.9-118.9 -82.1 168.3 41.8 -12.2 16.9 471 299 C K > - 0 0 143 4,-0.0 3,-0.6 1,-0.0 -1,-0.1 -0.089 42.3 -89.3 -87.8-169.2 45.1 -13.6 18.3 472 300 C E T 3 S+ 0 0 184 1,-0.2 3,-0.3 2,-0.1 -2,-0.0 0.523 113.0 66.3 -87.3 -5.7 47.9 -11.7 20.0 473 301 C E T 3 S+ 0 0 127 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.262 96.9 48.2-102.1 19.3 49.9 -10.9 16.9 474 302 C K S < S+ 0 0 126 -3,-0.6 2,-0.2 3,-0.0 -1,-0.2 0.209 75.8 105.8-134.3 14.9 47.6 -8.5 15.1 475 303 C N S S- 0 0 56 -3,-0.3 35,-0.2 1,-0.1 34,-0.1 -0.451 82.1-127.2 -75.0 171.8 46.8 -6.3 18.1 476 304 C K + 0 0 113 33,-1.6 34,-0.2 -2,-0.2 -1,-0.1 0.979 60.5 43.5-103.8 -51.4 49.1 -3.6 16.7 477 305 C N S S- 0 0 35 32,-0.7 2,-1.1 31,-0.4 -2,-0.1 0.015 84.6 -84.7 -85.2-171.0 51.9 -1.8 18.4 478 306 C S + 0 0 97 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.743 58.1 165.5 -98.0 85.1 54.9 -2.8 20.6 479 307 C I - 0 0 49 -2,-1.1 3,-0.1 30,-0.1 30,-0.0 -0.892 27.8-144.8-106.1 129.2 53.3 -2.8 24.0 480 308 C H > - 0 0 116 -2,-0.5 3,-1.9 1,-0.1 4,-0.4 -0.743 19.0-126.2 -92.1 133.8 55.1 -4.5 26.9 481 309 C P G > S+ 0 0 119 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.928 108.6 51.9 -43.4 -59.1 52.8 -6.2 29.5 482 310 C N G > S+ 0 0 124 1,-0.3 3,-1.4 2,-0.1 4,-0.3 0.637 85.8 91.3 -56.6 -13.6 54.1 -4.4 32.6 483 311 C D G < S+ 0 0 33 -3,-1.9 -1,-0.3 1,-0.3 4,-0.1 0.847 105.2 16.9 -50.2 -39.4 53.5 -1.1 30.7 484 312 C F G <> S+ 0 0 3 -3,-1.6 4,-3.0 -4,-0.4 -1,-0.3 -0.237 80.6 134.2-129.1 45.0 50.0 -0.9 32.3 485 313 C Q H <> S+ 0 0 116 -3,-1.4 4,-0.9 2,-0.2 -2,-0.1 0.929 80.3 41.8 -62.6 -46.1 50.0 -3.3 35.2 486 314 C I H >> S+ 0 0 69 -4,-0.3 3,-1.5 2,-0.2 4,-1.1 0.984 116.5 49.4 -64.1 -53.9 48.3 -1.0 37.7 487 315 C Y H >4 S+ 0 0 11 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.919 116.1 42.7 -49.7 -48.3 45.9 0.2 35.0 488 316 C N H 3< S+ 0 0 81 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.576 104.1 67.1 -78.5 -6.3 45.0 -3.4 34.0 489 317 C S H << S+ 0 0 50 -3,-1.5 -1,-0.2 -4,-0.9 -2,-0.2 0.717 76.1 101.1 -84.7 -23.3 44.9 -4.5 37.7 490 318 C L << - 0 0 10 -4,-1.1 -290,-0.2 -3,-0.7 3,-0.2 -0.375 55.9-161.6 -64.8 138.9 41.8 -2.5 38.5 491 319 C K S S+ 0 0 112 -292,-4.0 2,-0.5 1,-0.3 -291,-0.2 0.928 78.6 25.6 -85.1 -55.5 38.6 -4.5 38.5 492 320 C Y E -j 200 0A 26 -293,-1.1 -291,-2.4 1,-0.0 2,-0.4 -0.948 60.0-179.6-117.0 119.9 36.0 -1.7 38.2 493 321 C K E +j 201 0A 48 -2,-0.5 -291,-0.1 -293,-0.2 -293,-0.1 -0.591 28.5 139.7-114.9 67.5 37.0 1.6 36.6 494 322 C Y + 0 0 94 -293,-2.2 -290,-0.3 -2,-0.4 -292,-0.2 0.551 28.5 115.6 -87.4 -10.6 33.8 3.6 36.8 495 323 C H S > S- 0 0 2 -294,-0.5 3,-2.3 -292,-0.2 -292,-0.2 -0.402 76.0-123.2 -58.7 134.0 35.3 7.0 37.7 496 324 C P T > S+ 0 0 7 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.748 105.4 74.6 -54.5 -24.9 34.4 9.2 34.6 497 325 C E T >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.776 81.6 72.4 -60.7 -23.3 38.1 10.1 34.1 498 326 C Y H <> S+ 0 0 3 -3,-2.3 4,-2.5 1,-0.3 -1,-0.3 0.645 81.3 70.5 -67.6 -12.3 38.4 6.5 32.7 499 327 C Q H <> S+ 0 0 62 -3,-2.3 4,-0.7 -4,-0.2 -1,-0.3 0.896 108.1 36.0 -69.6 -35.3 36.5 7.6 29.6 500 328 C Y H X> S+ 0 0 0 -3,-1.1 4,-2.1 -4,-0.5 3,-0.7 0.951 119.9 47.4 -77.6 -55.4 39.6 9.7 28.6 501 329 C L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.891 109.7 54.3 -54.6 -42.4 42.2 7.1 30.0 502 330 C N H 3X S+ 0 0 67 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.833 107.3 50.8 -63.2 -31.2 40.4 4.2 28.2 503 331 C I H - 0 0 12 -2,-0.2 3,-2.5 455,-0.0 454,-0.1 -0.966 39.8 -77.9-155.6 174.0 51.1 13.8 10.2 517 345 C R T 3 S+ 0 0 148 -2,-0.3 453,-0.1 1,-0.3 -2,-0.0 0.669 125.1 53.6 -47.1 -26.0 51.4 17.5 9.4 518 346 C T T 3 S- 0 0 59 1,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.656 101.2-131.4 -87.1 -19.2 53.9 17.9 12.3 519 347 C G S < S+ 0 0 66 -3,-2.5 -2,-0.1 1,-0.0 3,-0.0 0.405 82.0 105.0 82.5 -3.3 56.2 15.2 11.2 520 348 C V S S- 0 0 66 1,-0.1 -3,-0.1 -5,-0.0 206,-0.1 0.807 77.9-131.3 -78.7 -32.2 56.3 13.7 14.7 521 349 C G - 0 0 10 -5,-0.1 205,-2.0 205,-0.1 2,-0.3 0.122 22.8-150.8 93.1 150.1 54.1 10.7 13.9 522 350 C V E -XY 514 725E 4 -8,-3.0 -8,-2.4 203,-0.2 2,-0.4 -0.940 20.1-124.9-150.7 172.0 51.0 9.5 15.8 523 351 C L E -XY 513 724E 8 201,-2.0 201,-2.5 -2,-0.3 2,-0.3 -0.956 47.5-178.3-116.2 132.5 48.9 6.5 16.7 524 352 C S E -XY 512 723E 0 -12,-1.5 -12,-2.3 -2,-0.4 2,-0.3 -0.963 26.4-178.7-144.4 162.0 45.3 7.3 15.7 525 353 C K E - Y 0 722E 57 197,-2.3 197,-2.2 -2,-0.3 2,-0.5 -0.894 25.3-123.7-144.2 168.6 41.7 6.1 15.6 526 354 C F E + Y 0 721E 10 -2,-0.3 195,-0.2 195,-0.2 194,-0.2 -0.946 68.5 14.4-132.2 117.3 38.5 7.6 14.3 527 355 C G E + 0 0 1 193,-2.3 2,-0.3 192,-0.6 193,-0.2 0.875 58.0 158.3 92.2 90.4 35.3 8.3 16.2 528 356 C Y E - Y 0 719E 29 191,-2.0 191,-2.9 -3,-0.1 2,-0.4 -0.917 20.2-155.4-134.8 161.4 34.9 8.4 19.9 529 357 C I E - Y 0 718E 43 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.995 6.3-172.2-143.7 131.2 32.4 9.9 22.3 530 358 C M E - Y 0 717E 0 187,-2.5 187,-2.9 -2,-0.4 2,-0.4 -0.929 6.4-160.3-121.2 149.1 32.8 10.9 26.0 531 359 C K E - Y 0 716E 62 -2,-0.3 2,-0.4 185,-0.2 185,-0.2 -0.993 4.7-171.8-135.1 126.0 30.0 12.1 28.4 532 360 C F E - Y 0 715E 0 183,-2.5 183,-2.3 -2,-0.4 2,-1.2 -0.964 22.0-135.9-120.1 130.9 30.5 14.0 31.6 533 361 C D E >> - Y 0 714E 53 -2,-0.4 3,-1.6 181,-0.2 4,-1.1 -0.708 19.2-174.2 -86.9 94.3 27.7 14.6 34.0 534 362 C L T 34 S+ 0 0 8 179,-2.2 -1,-0.2 -2,-1.2 180,-0.2 0.662 79.9 66.4 -63.3 -17.5 28.2 18.3 35.0 535 363 C S T 34 S+ 0 0 62 178,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.804 110.2 37.8 -75.1 -23.0 25.4 18.2 37.6 536 364 C Q T <4 S- 0 0 50 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.671 128.4 -18.1-100.5 -19.2 27.6 15.8 39.5 537 365 C Y < - 0 0 13 -4,-1.1 -1,-0.3 -326,-0.1 208,-0.2 -0.969 59.6-103.9-174.9 167.1 31.2 17.1 39.1 538 366 C F - 0 0 0 206,-2.4 2,-2.7 -2,-0.3 157,-0.1 -0.938 38.4-132.2-106.2 113.3 33.5 19.3 37.0 539 367 C P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 159,-0.1 -0.236 46.6 152.1 -68.0 60.3 35.6 17.0 34.8 540 368 C L - 0 0 2 -2,-2.7 -2,-0.1 204,-0.1 152,-0.1 -0.819 54.0-110.9 -91.2 110.9 39.1 18.4 35.4 541 369 C L - 0 0 0 -2,-0.8 5,-0.2 150,-0.3 3,-0.2 -0.055 30.9-169.8 -42.5 135.6 41.5 15.5 34.9 542 370 C T + 0 0 0 1,-0.1 229,-2.7 199,-0.1 -1,-0.1 0.526 69.1 80.6-108.3 -10.7 43.1 14.4 38.1 543 371 C T S S+ 0 0 0 227,-0.2 2,-0.3 195,-0.1 -1,-0.1 0.341 108.8 16.5 -79.5 9.5 45.8 12.1 36.9 544 372 C K S S- 0 0 8 -3,-0.2 2,-0.3 227,-0.1 229,-0.3 -0.930 96.7 -88.3-168.7 155.2 48.0 15.0 36.1 545 373 C K - 0 0 28 -2,-0.3 2,-0.4 227,-0.2 229,-0.3 -0.603 41.6-179.1 -80.8 136.4 48.0 18.7 37.1 546 374 C L - 0 0 8 -2,-0.3 2,-0.4 -5,-0.2 -2,-0.0 -0.991 13.3-156.3-134.4 139.4 46.0 21.2 35.0 547 375 C F - 0 0 108 -2,-0.4 4,-0.3 1,-0.1 3,-0.0 -0.907 0.4-164.7-112.5 144.2 45.5 25.0 35.4 548 376 C L > + 0 0 14 -2,-0.4 4,-2.0 2,-0.1 5,-0.3 0.465 62.6 95.6-109.5 -1.1 42.5 26.8 34.0 549 377 C R H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 90.8 45.5 -54.2 -51.4 43.4 30.5 34.0 550 378 C G H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.942 112.8 46.3 -59.1 -53.2 44.6 30.4 30.4 551 379 C I H > S+ 0 0 9 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.811 113.5 51.0 -63.7 -25.9 41.7 28.4 28.8 552 380 C I H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.942 110.3 47.8 -74.2 -47.8 39.2 30.6 30.7 553 381 C E H X S+ 0 0 16 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.921 111.1 53.2 -57.4 -40.0 40.8 33.8 29.4 554 382 C E H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.939 108.4 49.5 -59.2 -46.0 40.8 32.2 26.0 555 383 C L H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.885 111.2 48.0 -61.1 -40.1 37.0 31.6 26.3 556 384 C L H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.869 110.0 53.4 -69.3 -34.3 36.4 35.1 27.4 557 385 C W H <>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.3 4,-0.3 0.886 109.6 48.8 -66.7 -39.1 38.5 36.3 24.4 558 386 C F H ><5S+ 0 0 6 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.957 109.2 51.9 -65.1 -50.5 36.3 34.1 22.1 559 387 C I H 3<5S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.1 55.2 -56.3 -33.5 33.1 35.6 23.6 560 388 C R T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.573 114.3-120.9 -77.6 -5.4 34.3 39.1 23.0 561 389 C G T < 5 + 0 0 10 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.679 56.2 161.6 75.6 18.9 34.8 38.1 19.3 562 390 C E < + 0 0 43 -5,-1.9 41,-0.4 1,-0.1 42,-0.3 -0.334 31.9 175.4 -76.2 153.6 38.5 38.9 19.4 563 391 C T + 0 0 3 53,-0.3 35,-1.7 40,-0.1 2,-0.9 0.172 48.0 114.7-136.0 9.4 41.2 37.8 17.0 564 392 C N B >> -C 597 0F 18 52,-0.2 3,-1.3 33,-0.2 4,-0.7 -0.757 46.7-166.4 -91.6 105.2 44.1 39.7 18.5 565 393 C G H 3> S+ 0 0 3 31,-2.8 4,-2.1 -2,-0.9 3,-0.5 0.771 83.7 69.6 -59.9 -27.0 46.7 37.4 19.9 566 394 C N H 3> S+ 0 0 47 30,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.840 89.0 64.1 -61.3 -32.7 48.4 40.3 21.7 567 395 C T H <4 S+ 0 0 32 -3,-1.3 -1,-0.2 1,-0.2 4,-0.2 0.912 108.5 39.9 -56.8 -44.0 45.3 40.5 24.1 568 396 C L H ><>S+ 0 0 2 -4,-0.7 3,-2.1 -3,-0.5 5,-2.0 0.929 111.6 55.5 -72.0 -45.3 46.1 37.0 25.4 569 397 C L H ><5S+ 0 0 32 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.895 101.8 58.9 -54.3 -40.2 49.9 37.5 25.5 570 398 C N T 3<5S+ 0 0 141 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.605 106.4 47.9 -65.1 -13.0 49.4 40.6 27.7 571 399 C K T < 5S- 0 0 81 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.203 122.4-110.8-108.5 10.6 47.7 38.4 30.2 572 400 C N T < 5S+ 0 0 99 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.865 73.6 139.5 60.6 40.6 50.6 35.9 29.9 573 401 C V < + 0 0 6 -5,-2.0 3,-0.3 1,-0.1 -1,-0.2 -0.972 25.5 178.4-113.7 112.0 48.4 33.3 28.1 574 402 C R >> + 0 0 122 -2,-0.6 3,-1.3 1,-0.2 4,-0.5 0.187 42.1 116.3-104.6 17.0 50.5 31.8 25.3 575 403 C I T 34 S+ 0 0 78 1,-0.3 -1,-0.2 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4,-0.4 -0.625 20.2-121.5 -83.9 136.1 4.0 -2.3 29.1 810 309 D P T 3 S+ 0 0 117 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.688 111.3 47.9 -44.6 -28.5 6.5 -5.1 30.1 811 310 D N T > S+ 0 0 113 1,-0.2 3,-1.1 2,-0.1 4,-0.2 0.309 80.2 93.5-101.6 9.1 5.4 -7.2 27.1 812 311 D D T < S+ 0 0 39 -3,-2.8 -1,-0.2 1,-0.3 3,-0.1 0.813 100.0 33.9 -68.6 -27.1 5.6 -4.6 24.4 813 312 D F T 3> S+ 0 0 3 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.3 -0.274 78.2 136.7-121.1 46.0 9.1 -5.8 23.7 814 313 D Q H <> S+ 0 0 123 -3,-1.1 4,-1.0 2,-0.2 -1,-0.1 0.934 77.9 35.9 -59.0 -53.4 8.7 -9.5 24.5 815 314 D I H >> S+ 0 0 82 2,-0.2 4,-1.4 -4,-0.2 3,-0.8 0.962 117.2 53.5 -67.2 -48.7 10.7 -10.9 21.5 816 315 D Y H 34 S+ 0 0 10 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.900 115.5 40.4 -51.0 -47.6 13.3 -8.1 21.6 817 316 D N H 3< S+ 0 0 79 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.645 104.2 68.8 -79.5 -12.7 13.9 -8.7 25.3 818 317 D S H << S+ 0 0 54 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.837 79.8 93.2 -75.2 -30.8 13.8 -12.5 24.9 819 318 D L < - 0 0 10 -4,-1.4 -389,-0.2 -3,-0.3 3,-0.2 -0.285 58.6-161.1 -63.7 146.8 17.1 -12.6 22.9 820 319 D K S S+ 0 0 94 -391,-3.6 2,-0.6 1,-0.3 -390,-0.2 0.902 78.1 26.9 -92.1 -56.5 20.3 -13.2 24.8 821 320 D Y E +v 430 0C 28 -392,-0.8 -390,-2.4 2,-0.0 2,-0.6 -0.943 59.9 179.0-115.7 117.4 22.9 -12.0 22.3 822 321 D K E +v 431 0C 47 -2,-0.6 -390,-0.2 -392,-0.2 -392,-0.1 -0.742 23.1 146.2-115.7 79.6 22.0 -9.3 19.8 823 322 D Y + 0 0 94 -392,-2.4 -389,-0.2 -2,-0.6 -391,-0.2 0.501 27.5 118.5 -95.2 -4.1 25.2 -8.7 17.9 824 323 D H S > S- 0 0 2 -393,-0.3 3,-2.3 -391,-0.2 4,-0.3 -0.397 73.0-123.6 -61.9 133.6 23.7 -8.0 14.5 825 324 D P T > S+ 0 0 7 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.782 106.8 70.9 -51.3 -30.7 24.7 -4.4 13.5 826 325 D E T >> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.9 0.778 83.4 72.5 -60.5 -23.5 21.1 -3.4 13.0 827 326 D Y H <> S+ 0 0 4 -3,-2.3 4,-3.4 1,-0.3 5,-0.3 0.729 82.6 68.5 -65.4 -18.1 20.7 -3.6 16.8 828 327 D Q H <> S+ 0 0 59 -3,-2.0 4,-1.0 -4,-0.3 -1,-0.3 0.917 108.3 37.1 -65.1 -39.4 22.7 -0.4 17.1 829 328 D Y H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.5 3,-0.3 0.951 120.4 47.0 -73.1 -53.9 19.7 1.4 15.4 830 329 D L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.879 110.5 52.4 -58.1 -40.6 17.1 -0.8 17.2 831 330 D N H X S+ 0 0 64 -4,-3.4 4,-2.5 1,-0.2 -1,-0.3 0.854 106.9 53.0 -66.5 -33.4 18.8 -0.4 20.6 832 331 D I H X S+ 0 0 10 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.918 110.0 48.1 -66.4 -39.2 18.8 3.4 20.2 833 332 D I H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.944 111.8 49.6 -64.6 -45.6 15.0 3.3 19.5 834 333 D Y H X S+ 0 0 48 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.913 110.2 51.6 -60.3 -43.1 14.5 1.1 22.5 835 334 D D H X S+ 0 0 47 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.907 111.5 45.9 -61.7 -42.6 16.5 3.5 24.6 836 335 D I H X S+ 0 0 0 -4,-2.5 4,-3.8 3,-0.2 -2,-0.2 0.962 112.8 50.5 -66.2 -47.7 14.6 6.5 23.6 837 336 D M H < S+ 0 0 1 -4,-3.0 -31,-0.3 1,-0.2 -2,-0.2 0.919 119.2 36.9 -55.3 -45.3 11.2 4.8 24.1 838 337 D M H < S+ 0 0 26 -4,-2.6 -32,-0.4 -5,-0.2 -1,-0.2 0.856 139.3 12.9 -76.8 -37.8 12.2 3.6 27.6 839 338 D N H < S+ 0 0 56 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.418 90.1 129.9-121.7 1.1 14.1 6.7 28.7 840 339 D G < - 0 0 0 -4,-3.8 2,-0.4 -5,-0.4 14,-0.2 -0.019 57.7-116.0 -54.7 162.4 13.4 9.4 26.2 841 340 D N E -F 853 0I 25 12,-2.6 12,-1.9 -36,-0.0 2,-0.4 -0.855 24.8-122.8-103.1 136.3 12.3 12.9 27.3 842 341 D K E +F 852 0I 110 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.662 44.1 162.7 -80.1 126.8 8.8 14.0 26.3 843 342 D Q E -F 851 0I 24 8,-2.1 8,-2.3 -2,-0.4 2,-0.2 -0.989 36.8-123.9-146.4 153.1 8.9 17.2 24.3 844 343 D S - 0 0 77 -2,-0.3 2,-0.3 6,-0.2 0, 0.0 -0.493 34.6-156.3 -87.4 164.4 6.8 19.3 22.0 845 344 D D > - 0 0 13 -2,-0.2 3,-2.9 1,-0.0 -204,-0.1 -0.922 35.9 -88.9-142.9 169.0 8.1 20.1 18.5 846 345 D R T 3 S+ 0 0 159 -2,-0.3 -205,-0.0 1,-0.3 -2,-0.0 0.732 128.3 47.5 -44.9 -26.4 7.9 22.5 15.6 847 346 D T T 3 S- 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.510 103.9-127.9 -95.7 -10.7 5.1 20.1 14.3 848 347 D G S < S+ 0 0 67 -3,-2.9 -2,-0.1 1,-0.1 -4,-0.1 0.857 79.7 115.4 64.5 31.1 3.1 19.8 17.5 849 348 D V - 0 0 58 -4,-0.0 206,-0.1 206,-0.0 -1,-0.1 0.736 70.0-137.5 -98.6 -33.0 3.3 16.0 17.0 850 349 D G - 0 0 10 205,-0.1 205,-2.2 204,-0.1 206,-0.3 0.247 21.2-159.2 85.3 146.5 5.4 15.5 20.2 851 350 D V E -FG 8431054I 4 -8,-2.3 -8,-2.1 203,-0.2 2,-0.4 -0.921 22.9-122.0-151.0 173.9 8.3 13.1 20.5 852 351 D L E -FG 8421053I 2 201,-1.7 201,-2.7 -2,-0.3 2,-0.3 -0.962 44.8-174.9-118.4 131.5 10.5 11.2 22.9 853 352 D S E -FG 8411052I 0 -12,-1.9 -12,-2.6 -2,-0.4 2,-0.3 -0.985 23.2-176.5-140.7 153.5 14.0 12.4 22.6 854 353 D K E - G 01051I 51 197,-2.7 197,-2.3 -2,-0.3 2,-0.4 -0.842 25.4-124.8-133.1 167.5 17.6 11.7 23.8 855 354 D F E + G 01050I 8 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.957 66.7 11.5-128.8 118.6 20.8 13.6 23.0 856 355 D G E + 0 0 2 193,-2.5 2,-0.3 -2,-0.4 -1,-0.2 0.857 57.6 157.4 87.0 99.2 24.1 12.1 21.6 857 356 D Y E - G 01048I 31 191,-1.7 191,-2.9 -3,-0.1 2,-0.4 -0.943 21.3-153.7-143.3 160.3 24.6 8.7 20.1 858 357 D I E - G 01047I 42 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.999 7.6-174.5-140.6 136.4 27.1 7.0 17.8 859 358 D M E - G 01046I 1 187,-2.1 187,-2.7 -2,-0.4 2,-0.4 -0.957 8.5-159.6-127.7 147.6 26.6 4.0 15.5 860 359 D K E - G 01045I 61 -2,-0.3 2,-0.4 185,-0.2 185,-0.2 -1.000 3.5-167.5-133.6 130.3 29.4 2.4 13.4 861 360 D F E - G 01044I 0 183,-2.5 183,-2.3 -2,-0.4 2,-1.3 -0.978 20.0-135.4-121.6 131.6 28.8 0.2 10.4 862 361 D D E >> - G 01043I 55 -2,-0.4 3,-1.8 181,-0.2 4,-1.2 -0.689 18.8-174.5 -87.1 92.2 31.6 -1.9 8.8 863 362 D L T 34 S+ 0 0 8 179,-2.3 -1,-0.2 -2,-1.3 180,-0.2 0.684 79.3 67.4 -62.1 -16.7 31.2 -1.3 5.1 864 363 D S T 34 S+ 0 0 60 178,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.752 109.6 36.6 -76.1 -17.9 33.9 -3.8 4.3 865 364 D Q T <4 S- 0 0 49 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.656 127.6 -16.3-105.1 -22.7 31.6 -6.6 5.6 866 365 D Y < - 0 0 13 -4,-1.2 -1,-0.3 -425,-0.1 208,-0.2 -0.981 59.4-102.4-170.9 170.9 28.1 -5.5 4.6 867 366 D F - 0 0 1 206,-2.6 2,-3.0 -2,-0.3 -4,-0.1 -0.936 37.3-135.4-107.3 112.0 25.8 -2.8 3.3 868 367 D P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 159,-0.1 -0.171 46.5 150.5 -68.2 58.5 23.8 -1.6 6.3 869 368 D L - 0 0 2 -2,-3.0 -2,-0.1 204,-0.1 152,-0.1 -0.809 55.6-111.5 -88.5 113.5 20.3 -1.4 4.6 870 369 D L - 0 0 0 -2,-0.8 5,-0.2 150,-0.3 3,-0.1 -0.114 30.1-168.5 -46.9 139.6 17.9 -2.1 7.5 871 370 D T + 0 0 0 199,-0.1 229,-2.5 1,-0.1 -1,-0.1 0.431 68.9 83.6-110.5 -4.5 16.1 -5.4 7.2 872 371 D T S S+ 0 0 0 227,-0.2 2,-0.3 195,-0.1 -1,-0.1 0.424 108.7 10.8 -81.3 5.1 13.4 -5.1 9.8 873 372 D K S S- 0 0 7 227,-0.1 2,-0.3 -3,-0.1 229,-0.2 -0.928 98.0 -84.4-167.0 161.6 11.2 -3.2 7.4 874 373 D K - 0 0 46 -2,-0.3 2,-0.4 225,-0.1 229,-0.3 -0.642 41.2-173.5 -84.4 137.9 11.4 -2.6 3.7 875 374 D L - 0 0 7 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.0 -0.984 9.7-154.2-130.4 140.5 13.5 0.2 2.3 876 375 D F - 0 0 144 -2,-0.4 4,-0.3 1,-0.1 -2,-0.0 -0.854 5.5-170.4-110.7 149.5 13.8 1.5 -1.3 877 376 D L > + 0 0 16 -2,-0.3 4,-2.2 2,-0.1 5,-0.3 0.523 60.5 91.2-122.0 -4.0 16.9 3.3 -2.6 878 377 D R H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.954 94.9 48.5 -55.9 -47.3 16.3 4.8 -6.1 879 378 D G H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.8 46.4 -59.4 -49.7 15.2 8.0 -4.5 880 379 D I H > S+ 0 0 8 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.845 113.1 50.5 -66.8 -29.3 18.0 8.5 -2.0 881 380 D I H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.935 109.6 49.9 -71.3 -44.5 20.6 7.7 -4.7 882 381 D E H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.903 109.3 53.2 -59.7 -38.9 19.0 10.3 -7.2 883 382 D E H X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.936 109.0 49.1 -61.9 -41.4 19.1 12.8 -4.3 884 383 D L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.899 111.6 47.6 -64.1 -41.9 22.8 12.1 -3.9 885 384 D L H X S+ 0 0 9 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.902 111.0 51.8 -67.4 -37.2 23.5 12.5 -7.6 886 385 D W H <>S+ 0 0 0 -4,-2.6 5,-1.9 -5,-0.2 4,-0.4 0.901 110.1 50.0 -64.3 -41.1 21.5 15.8 -7.5 887 386 D F H ><5S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.938 109.1 51.2 -62.4 -49.1 23.6 16.9 -4.5 888 387 D I H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.7 55.5 -60.6 -31.3 26.9 16.1 -6.4 889 388 D R T 3<5S- 0 0 118 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.605 115.6-119.5 -77.0 -8.6 25.8 18.1 -9.5 890 389 D G T < 5 + 0 0 12 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.663 56.2 162.0 80.5 18.3 25.4 21.0 -7.1 891 390 D E < + 0 0 45 -5,-1.9 41,-0.4 1,-0.1 42,-0.3 -0.338 33.3 176.3 -76.4 153.8 21.6 21.5 -7.8 892 391 D T + 0 0 6 53,-0.3 35,-1.8 40,-0.1 2,-0.8 0.217 49.6 114.8-132.2 4.6 19.0 23.3 -5.7 893 392 D N B >> -K 926 0J 20 52,-0.2 3,-1.1 33,-0.2 4,-0.6 -0.699 46.1-167.6 -87.2 105.6 16.1 22.8 -8.1 894 393 D G H >> S+ 0 0 3 31,-3.1 4,-2.3 -2,-0.8 3,-0.6 0.770 82.0 70.2 -61.8 -28.3 13.4 20.6 -6.6 895 394 D N H 3> S+ 0 0 40 30,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.834 88.8 64.5 -59.6 -33.3 11.7 20.1 -10.0 896 395 D T H <4 S+ 0 0 34 -3,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.906 108.7 38.8 -56.9 -42.6 14.6 17.9 -11.1 897 396 D L H X<>S+ 0 0 2 -3,-0.6 5,-2.2 -4,-0.6 3,-1.7 0.915 112.7 56.4 -74.8 -42.9 13.8 15.4 -8.5 898 397 D L H ><5S+ 0 0 25 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.878 101.5 57.3 -56.5 -39.0 10.0 15.7 -8.9 899 398 D N T 3<5S+ 0 0 136 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.617 107.3 47.9 -68.0 -13.1 10.3 14.9 -12.6 900 399 D K T < 5S- 0 0 83 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.140 122.4-109.4-108.8 13.7 12.0 11.5 -11.7 901 400 D N T < 5S+ 0 0 108 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.879 73.9 140.1 58.7 41.8 9.2 10.9 -9.2 902 401 D V < + 0 0 3 -5,-2.2 3,-0.3 1,-0.1 -1,-0.2 -0.973 24.5 177.6-114.5 108.9 11.5 11.4 -6.2 903 402 D R + 0 0 122 -2,-0.6 4,-0.5 1,-0.2 3,-0.5 0.052 40.5 116.2-106.7 26.8 9.5 13.4 -3.6 904 403 D I S S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.874 89.2 31.9 -59.5 -40.1 11.8 13.7 -0.7 905 404 D W S > S+ 0 0 19 -3,-0.3 4,-0.6 1,-0.1 3,-0.3 0.388 89.9 101.9-100.5 0.4 12.0 17.5 -1.0 906 405 D E T >4 S+ 0 0 73 -3,-0.5 3,-1.6 1,-0.2 4,-0.3 0.914 81.4 47.7 -51.8 -52.2 8.5 18.2 -2.3 907 406 D A G >4 S+ 0 0 69 -4,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.836 108.5 56.6 -62.4 -31.0 7.0 19.4 1.0 908 407 D N G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.574 107.1 50.3 -77.5 -7.0 9.9 21.7 1.6 909 408 D G G << S+ 0 0 0 -3,-1.6 16,-2.6 -4,-0.6 17,-0.3 0.299 80.2 119.7-113.8 10.8 9.4 23.4 -1.7 910 409 D T S <> S- 0 0 45 -3,-0.8 4,-2.9 -4,-0.3 5,-0.3 -0.371 75.0-114.1 -76.4 158.6 5.7 24.3 -1.6 911 410 D R H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 119.6 48.4 -53.3 -45.3 4.4 27.9 -1.8 912 411 D E H > S+ 0 0 136 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.920 110.6 47.6 -63.1 -50.4 3.1 27.4 1.8 913 412 D F H > S+ 0 0 44 -6,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.930 115.7 45.7 -60.3 -43.5 6.3 25.9 3.2 914 413 D L H <>S+ 0 0 0 -4,-2.9 5,-3.1 2,-0.2 3,-0.5 0.925 112.6 49.8 -65.2 -44.9 8.4 28.7 1.7 915 414 D D H ><5S+ 0 0 55 -4,-2.4 3,-2.2 -5,-0.3 5,-0.2 0.922 108.3 53.7 -59.1 -44.6 6.0 31.4 2.8 916 415 D N H 3<5S+ 0 0 120 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.769 107.1 51.7 -60.8 -26.8 6.1 29.9 6.3 917 416 D R T 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.344 121.3-112.6 -88.7 2.9 9.9 30.3 6.1 918 417 D K T < 5S+ 0 0 144 -3,-2.2 2,-0.4 1,-0.1 -3,-0.2 0.814 78.2 134.2 69.1 30.1 9.4 33.9 5.1 919 418 D L > < + 0 0 24 -5,-3.1 3,-1.6 1,-0.2 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