==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-OCT-06 2NOV . COMPND 2 MOLECULE: DNA TOPOISOMERASE 4 SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR I.LAPONOGOV,D.A.VESELKOV,M.K.SOHI,X.S.PAN,A.ACHARI,C.YANG, . 1782 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 83874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1190 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 108 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 619 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 12 5 5 5 6 8 2 4 2 4 0 1 0 2 0 1 1 0 0 0 0 1 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 7 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 . 13 17 8 10 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 ANTIPARALLEL BRIDGES PER LADDER . 6 9 8 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 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 29 A A 0 0 91 0, 0.0 141,-0.3 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -42.8 53.5 49.2 44.8 2 30 A L - 0 0 18 139,-0.1 292,-0.1 1,-0.1 7,-0.1 -0.806 360.0-108.3-108.0 148.1 56.8 49.6 46.6 3 31 A P - 0 0 0 0, 0.0 292,-2.0 0, 0.0 2,-0.6 -0.213 33.0-104.7 -73.0 166.8 57.7 48.1 50.0 4 32 A D >> - 0 0 15 5,-1.8 4,-2.8 290,-0.2 3,-0.8 -0.865 20.0-136.8 -98.2 123.1 58.1 50.1 53.3 5 33 A I T 34 S+ 0 0 6 -2,-0.6 129,-0.3 290,-0.4 -1,-0.1 0.769 99.0 54.6 -38.4 -48.1 61.7 50.7 54.5 6 34 A R T 34 S+ 0 0 68 1,-0.2 -1,-0.2 305,-0.1 127,-0.2 0.869 128.5 11.0 -61.0 -49.2 60.8 49.9 58.1 7 35 A D T <4 S- 0 0 0 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.382 92.3-129.7-116.1 3.3 59.3 46.4 57.7 8 36 A G < + 0 0 1 -4,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.618 64.0 127.7 58.1 20.2 60.2 45.7 54.2 9 37 A L - 0 0 0 -5,-0.5 -5,-1.8 -7,-0.1 -1,-0.2 -0.780 57.2-132.9-112.7 151.3 56.7 44.7 53.2 10 38 A K >> - 0 0 57 -2,-0.3 4,-1.7 -7,-0.2 3,-1.1 -0.759 41.0-103.2 -93.1 144.3 54.2 45.7 50.5 11 39 A P H 3> S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.750 122.8 51.8 -37.3 -37.8 50.6 46.5 51.8 12 40 A V H 3> S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.918 108.2 50.2 -68.7 -43.8 49.3 43.1 50.5 13 41 A Q H <> S+ 0 0 19 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.846 112.7 47.5 -62.0 -39.8 52.1 41.2 52.3 14 42 A R H X S+ 0 0 17 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.936 108.1 54.8 -66.7 -48.8 51.3 43.0 55.6 15 43 A R H X S+ 0 0 34 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.842 106.5 52.6 -55.5 -36.5 47.6 42.4 55.2 16 44 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.962 113.1 42.2 -65.4 -52.0 48.2 38.6 54.9 17 45 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.957 115.4 48.4 -59.5 -56.4 50.3 38.4 58.1 18 46 A Y H X S+ 0 0 39 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.842 115.4 45.4 -55.4 -40.3 48.0 40.7 60.1 19 47 A S H X S+ 0 0 2 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.896 114.6 46.9 -71.7 -42.2 44.9 38.7 59.0 20 48 A M H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 -2,-0.2 0.870 111.6 50.7 -66.9 -38.0 46.4 35.3 59.6 21 49 A N H ><5S+ 0 0 49 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.870 108.0 52.0 -69.0 -37.6 47.8 36.2 63.0 22 50 A K H 3<5S+ 0 0 99 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.4 51.9 -67.1 -33.3 44.4 37.5 64.2 23 51 A D T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.215 119.4-116.0 -86.4 9.8 42.8 34.2 63.1 24 52 A S T < 5 + 0 0 60 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.843 64.7 148.2 54.5 45.4 45.5 32.4 65.1 25 53 A N < + 0 0 2 -5,-2.5 70,-1.9 -6,-0.1 -1,-0.2 -0.485 24.6 141.7-104.6 60.3 47.2 30.7 62.2 26 54 A T > - 0 0 23 -2,-0.6 3,-0.7 68,-0.2 70,-0.1 -0.433 65.8 -94.0 -96.5 172.4 50.7 30.7 63.6 27 55 A F T 3 S+ 0 0 69 1,-0.2 70,-0.1 69,-0.2 69,-0.1 0.831 119.1 55.5 -52.5 -47.0 53.5 28.0 63.4 28 56 A D T 3 S+ 0 0 103 68,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.797 105.4 64.6 -60.6 -30.8 52.8 26.2 66.7 29 57 A K S < S- 0 0 103 -3,-0.7 2,-0.1 1,-0.1 -4,-0.1 -0.255 97.9 -72.4 -90.4 175.3 49.2 25.6 65.6 30 58 A S - 0 0 103 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.313 50.1 -92.6 -74.7 152.0 47.7 23.6 62.7 31 59 A Y - 0 0 60 61,-0.1 2,-0.3 63,-0.1 63,-0.2 -0.484 45.8-152.3 -64.3 101.4 47.8 24.3 58.9 32 60 A R E -A 93 0A 49 61,-1.3 61,-2.8 -2,-0.7 5,-0.1 -0.593 29.7 -85.5 -82.4 141.6 44.5 26.2 58.2 33 61 A K E >> -A 92 0A 69 -2,-0.3 4,-1.4 59,-0.3 3,-0.5 -0.104 27.8-137.6 -49.1 130.1 42.8 26.0 54.7 34 62 A S H 3> S+ 0 0 0 57,-1.7 4,-2.2 54,-0.3 5,-0.2 0.761 101.0 61.9 -61.3 -30.1 44.1 28.5 52.2 35 63 A A H 3> S+ 0 0 28 53,-0.6 4,-2.0 56,-0.4 -1,-0.2 0.879 105.9 46.0 -64.9 -38.7 40.6 29.3 51.0 36 64 A K H <> S+ 0 0 23 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.863 110.9 53.0 -72.5 -38.1 39.6 30.6 54.4 37 65 A S H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 3,-0.3 0.979 115.0 39.3 -62.0 -55.2 42.8 32.7 54.8 38 66 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.861 112.2 59.1 -63.8 -38.1 42.3 34.5 51.4 39 67 A G H X S+ 0 0 18 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.892 110.3 41.0 -59.3 -42.6 38.5 34.7 52.0 40 68 A N H X>S+ 0 0 28 -4,-2.0 4,-1.7 -3,-0.3 5,-0.5 0.833 112.8 54.3 -74.8 -35.1 39.1 36.7 55.2 41 69 A I H X>S+ 0 0 0 -4,-2.0 5,-3.4 -5,-0.2 4,-1.3 0.870 116.7 39.5 -67.0 -35.6 41.9 38.8 53.7 42 70 A M H <5S+ 0 0 50 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.900 116.8 47.1 -80.6 -44.4 39.5 39.8 50.9 43 71 A G H <5S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.732 128.1 24.1 -70.7 -25.1 36.3 40.2 52.9 44 72 A N H <5S+ 0 0 23 -4,-1.7 73,-0.3 -5,-0.1 77,-0.2 0.787 137.1 5.7-109.9 -36.2 37.9 42.3 55.6 45 73 A F T <> S+ 0 0 47 1,-0.2 4,-1.7 2,-0.1 2,-1.4 0.840 108.7 68.3 -64.1 -36.9 41.5 36.7 44.8 51 79 A S T 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 -0.688 95.5 51.4 -91.5 85.1 44.3 35.9 42.4 52 80 A S T 34 S+ 0 0 45 -2,-1.4 4,-0.4 -40,-0.0 -1,-0.2 -0.078 109.9 50.6 179.7 -29.8 46.8 38.6 43.5 53 81 A I T <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.4 -2,-0.2 0.854 110.1 46.1 -88.3 -49.0 46.5 37.6 47.2 54 82 A Y H X S+ 0 0 16 -4,-1.7 4,-1.4 1,-0.2 5,-0.1 0.849 111.2 55.0 -64.4 -35.8 47.1 33.9 46.8 55 83 A D H > S+ 0 0 79 -5,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.837 110.9 44.2 -65.8 -35.8 50.1 34.7 44.5 56 84 A A H > S+ 0 0 14 -4,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.902 115.1 48.8 -74.5 -41.6 51.6 36.9 47.2 57 85 A M H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.686 110.5 51.0 -71.6 -23.8 50.9 34.3 49.8 58 86 A V H >< S+ 0 0 11 -4,-1.4 3,-1.1 -5,-0.1 -1,-0.2 0.805 106.2 55.5 -84.4 -28.8 52.4 31.6 47.7 59 87 A R H >< S+ 0 0 58 -4,-1.3 3,-1.5 1,-0.3 7,-0.6 0.880 101.1 57.3 -71.0 -36.3 55.6 33.7 47.2 60 88 A M T 3< S+ 0 0 1 -4,-1.6 11,-2.8 1,-0.3 10,-1.0 0.275 106.2 51.9 -78.3 10.1 56.2 34.1 50.9 61 89 A S T < S+ 0 0 9 -3,-1.1 2,-0.6 9,-0.2 12,-0.3 0.195 86.9 95.5-127.3 8.0 56.2 30.2 51.2 62 90 A Q X> - 0 0 18 -3,-1.5 4,-1.8 1,-0.1 3,-1.1 -0.932 56.6-161.3-105.9 117.8 58.8 29.6 48.5 63 91 A N T 34 S+ 0 0 108 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.353 91.9 63.0 -79.9 4.8 62.4 29.2 49.8 64 92 A W T 34 S+ 0 0 35 17,-0.1 170,-0.3 15,-0.1 -1,-0.2 0.483 114.7 31.5-101.9 -9.2 63.7 29.9 46.3 65 93 A K T <4 S+ 0 0 43 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.792 119.7 38.1-111.5 -67.8 62.2 33.4 46.4 66 94 A N S < S- 0 0 3 -4,-1.8 -1,-0.3 -7,-0.6 3,-0.3 -0.703 70.9-143.4 -88.0 142.9 62.1 34.9 50.0 67 95 A R S S+ 0 0 23 69,-0.3 2,-0.7 1,-0.3 -1,-0.1 0.958 96.3 24.8 -69.6 -55.2 65.3 34.0 52.1 68 96 A E S S- 0 0 28 68,-0.2 -1,-0.3 65,-0.1 28,-0.0 -0.930 98.4-134.4-113.1 98.0 63.4 33.6 55.4 69 97 A I - 0 0 41 -2,-0.7 30,-0.2 -3,-0.3 29,-0.2 -0.144 15.8-161.3 -56.9 142.9 59.9 32.7 54.5 70 98 A L S S+ 0 0 0 -10,-1.0 26,-0.7 1,-0.1 2,-0.3 0.523 76.7 47.9-103.6 -9.3 56.9 34.4 56.2 71 99 A V E S-B 95 0A 0 -11,-2.8 2,-0.5 24,-0.2 24,-0.3 -0.967 71.1-147.6-130.6 142.1 54.2 31.8 55.3 72 100 A E E -B 94 0A 53 22,-3.1 22,-1.7 -2,-0.3 2,-0.5 -0.973 16.2-162.3-114.1 121.1 54.5 28.0 55.7 73 101 A M E -B 93 0A 20 -2,-0.5 2,-0.6 -12,-0.3 20,-0.2 -0.927 10.5-153.1-116.5 125.0 52.7 25.9 53.1 74 102 A H E +B 92 0A 95 18,-2.0 18,-1.0 -2,-0.5 2,-0.2 -0.790 69.0 4.3 -90.1 119.7 51.8 22.2 53.4 75 103 A G S S+ 0 0 52 -2,-0.6 2,-0.7 16,-0.1 16,-0.1 -0.662 114.2 1.5 107.5-161.7 51.5 20.6 50.0 76 104 A N + 0 0 80 14,-0.3 10,-1.4 -2,-0.2 -2,-0.1 -0.530 62.1 132.3 -74.8 108.0 52.1 21.8 46.4 77 105 A N S S- 0 0 23 -2,-0.7 -1,-0.2 8,-0.2 -16,-0.1 0.249 80.1 -76.5-129.8 2.4 53.4 25.4 46.3 78 106 A G - 0 0 11 6,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.037 44.1-109.1 107.5 142.7 56.2 24.6 43.9 79 107 A S - 0 0 45 5,-0.1 4,-0.3 -17,-0.1 -15,-0.1 -0.385 48.7 -78.0 -95.1 177.7 59.7 23.0 44.2 80 108 A M S S+ 0 0 75 -2,-0.1 2,-0.0 2,-0.1 -1,-0.0 0.707 116.1 59.1 -45.9 -30.1 63.3 24.4 43.9 81 109 A D S S- 0 0 53 155,-0.1 -17,-0.1 156,-0.1 155,-0.0 -0.089 118.7 -71.8 -88.2-169.8 62.9 24.5 40.1 82 110 A G S S+ 0 0 41 -4,-0.1 -2,-0.1 -2,-0.0 154,-0.1 0.128 77.3 151.5 -76.5 24.3 60.3 26.3 38.0 83 111 A D - 0 0 79 -4,-0.3 -6,-0.0 1,-0.1 155,-0.0 -0.375 44.3-121.5 -62.9 122.9 57.6 23.9 39.1 84 112 A P - 0 0 92 0, 0.0 -6,-0.2 0, 0.0 -5,-0.1 -0.236 22.6-120.6 -65.1 149.8 54.1 25.5 39.2 85 113 A P - 0 0 59 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 -0.223 21.1-114.4 -83.7-179.6 51.8 25.7 42.3 86 114 A A - 0 0 30 -10,-1.4 2,-0.3 1,-0.1 -11,-0.0 -0.111 40.0 -83.3 -97.1-165.7 48.3 24.3 43.0 87 115 A A >> - 0 0 39 -2,-0.1 3,-1.8 1,-0.0 4,-0.6 -0.727 40.9-102.6-101.3 159.9 45.1 26.2 43.5 88 116 A M T 34 S+ 0 0 53 1,-0.3 -53,-0.6 -2,-0.3 -54,-0.3 0.649 120.2 63.6 -55.5 -14.7 43.9 27.6 46.9 89 117 A R T 34 S+ 0 0 175 1,-0.2 -1,-0.3 -55,-0.1 -54,-0.1 0.850 104.0 44.4 -78.0 -36.3 41.6 24.7 47.2 90 118 A Y T <4 S+ 0 0 162 -3,-1.8 -14,-0.3 -14,-0.1 2,-0.3 0.406 106.0 71.5 -94.3 0.1 44.4 22.1 47.3 91 119 A T < - 0 0 2 -4,-0.6 -57,-1.7 -3,-0.2 -56,-0.4 -0.800 53.7-165.7-118.8 161.9 46.7 24.0 49.8 92 120 A E E -AB 33 74A 57 -18,-1.0 -18,-2.0 -2,-0.3 2,-0.3 -0.983 18.6-179.2-142.3 141.7 46.7 24.8 53.5 93 121 A A E +AB 32 73A 0 -61,-2.8 -61,-1.3 -2,-0.3 2,-0.2 -0.913 19.5 174.2-145.4 170.8 48.9 27.3 55.3 94 122 A R E - B 0 72A 44 -22,-1.7 -22,-3.1 -2,-0.3 2,-0.3 -0.865 43.4 -81.8-156.8-179.6 50.1 29.1 58.4 95 123 A L E - B 0 71A 0 -70,-1.9 -24,-0.2 -24,-0.3 2,-0.1 -0.697 40.7-120.0 -96.2 152.0 52.8 31.6 59.4 96 124 A S >> - 0 0 6 -26,-0.7 4,-1.0 -2,-0.3 3,-0.9 -0.484 29.9-105.7 -83.4 163.8 56.4 30.6 60.1 97 125 A E H >> S+ 0 0 67 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.900 119.6 53.5 -56.0 -43.5 58.0 31.3 63.5 98 126 A I H 34 S+ 0 0 9 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.706 99.6 62.2 -66.9 -23.3 60.1 34.1 62.1 99 127 A A H X> S+ 0 0 0 -3,-0.9 3,-1.7 1,-0.2 4,-1.1 0.837 94.9 62.3 -71.7 -30.7 57.1 35.9 60.7 100 128 A G H << S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.761 93.5 63.7 -65.4 -24.9 55.8 36.1 64.3 101 129 A Y T 3< S+ 0 0 57 -4,-0.5 29,-1.9 -3,-0.5 -1,-0.3 0.532 98.5 54.2 -77.3 -9.1 58.8 38.3 65.0 102 130 A L T <4 S+ 0 0 0 -3,-1.7 27,-1.6 27,-0.3 -1,-0.2 0.834 112.5 42.6 -87.4 -37.8 57.5 40.9 62.6 103 131 A L S >< S+ 0 0 6 -4,-1.1 3,-1.8 25,-0.2 2,-0.2 0.291 85.0 135.2 -88.8 3.5 54.2 41.0 64.4 104 132 A Q T 3 S+ 0 0 43 1,-0.3 -3,-0.1 -5,-0.1 -4,-0.0 -0.449 78.0 8.6 -61.4 122.9 56.0 41.0 67.8 105 133 A D T > >S+ 0 0 18 -2,-0.2 3,-0.8 22,-0.0 5,-0.5 0.596 84.5 144.0 77.2 23.4 54.3 43.6 70.1 106 134 A I I <>>S+ 0 0 17 -3,-1.8 4,-0.6 1,-0.2 5,-0.6 0.909 71.3 40.1 -53.5 -55.7 51.4 44.4 67.6 107 135 A E I 345S+ 0 0 123 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.493 89.1 92.5 -76.0 -8.1 48.6 45.0 70.2 108 136 A K I <45S- 0 0 40 -3,-0.8 218,-0.3 1,-0.1 -1,-0.2 0.117 109.4-103.9 -77.1 23.3 50.8 46.9 72.6 109 137 A K I 45S+ 0 0 168 -3,-0.4 -2,-0.1 2,-0.1 -1,-0.1 0.827 86.4 129.6 55.1 36.6 49.8 50.2 70.9 110 138 A T I << + 0 0 17 -4,-0.6 -4,-0.1 -5,-0.5 212,-0.1 0.875 56.4 45.3 -84.0 -45.8 53.2 50.3 69.2 111 139 A V S > - 0 0 3 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.522 35.2-179.4 -77.8 88.1 65.0 44.2 58.9 133 161 A N H 3>>S+ 0 0 1 -2,-1.6 4,-1.6 1,-0.3 5,-0.5 0.613 72.6 72.6 -61.0 -12.7 62.9 42.4 56.3 134 162 A L H 3>5S+ 0 0 2 -129,-0.3 4,-0.5 3,-0.2 -1,-0.3 0.913 112.3 22.9 -70.9 -42.7 64.0 44.9 53.7 135 163 A L H <45S+ 0 0 5 -3,-1.2 18,-1.2 2,-0.2 -2,-0.2 0.872 123.9 54.6 -89.7 -40.2 67.5 43.6 53.4 136 164 A V H <5S+ 0 0 0 -4,-2.2 -69,-0.3 16,-0.3 -3,-0.2 0.839 130.0 13.1 -64.2 -36.2 66.8 40.1 54.6 137 165 A N H <5S- 0 0 2 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.2 0.578 92.2-167.1-116.3 -16.0 64.0 39.4 52.1 138 166 A G << - 0 0 8 -4,-0.5 2,-0.3 -5,-0.5 -1,-0.1 -0.136 12.4-114.6 64.1-157.7 64.3 42.2 49.6 139 167 A S E -D 150 0C 11 11,-2.3 11,-3.0 -4,-0.1 2,-0.4 -0.899 14.2-159.9-176.5 148.6 61.8 43.1 46.9 140 168 A T E +D 149 0C 44 -2,-0.3 9,-0.2 9,-0.2 2,-0.1 -0.986 42.9 111.1-136.7 124.7 61.4 43.2 43.1 141 169 A G - 0 0 42 7,-2.4 2,-0.2 -2,-0.4 -139,-0.1 -0.393 63.6 -70.9-153.8-127.5 58.7 45.4 41.6 142 170 A I 0 0 49 -141,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.771 360.0 360.0-160.8 108.8 58.0 48.5 39.5 143 171 A S 0 0 48 3,-1.3 4,-0.1 -2,-0.2 -141,-0.0 0.309 360.0 360.0-140.1 360.0 58.7 52.1 40.8 144 ! 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 0.0 145 173 A G 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.6 60.5 55.3 36.2 146 174 A Y - 0 0 56 1,-0.1 -3,-1.3 -4,-0.1 2,-0.4 0.182 360.0 -53.7 -85.6-156.9 62.1 51.8 35.8 147 175 A A - 0 0 62 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.754 46.4-134.5 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-1,-0.1 -0.072 99.3 90.3 -88.6 31.4 87.3 24.4 28.6 273 310 A L T 3> + 0 0 50 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.523 68.6 73.1 -99.9 -13.8 86.2 27.4 26.4 274 311 A V H <> S+ 0 0 23 -3,-0.9 4,-3.0 2,-0.2 5,-0.2 0.880 94.8 55.2 -67.1 -34.0 82.6 26.0 26.2 275 312 A L H > S+ 0 0 38 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.913 108.5 46.0 -64.4 -44.0 82.4 27.2 29.8 276 313 A N H > S+ 0 0 116 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.796 113.9 49.1 -70.1 -32.2 83.4 30.7 28.8 277 314 A Y H >X S+ 0 0 65 -4,-1.8 4,-2.9 1,-0.2 3,-0.5 0.956 108.9 51.5 -70.8 -52.6 81.0 30.7 25.9 278 315 A L H 3< S+ 0 0 8 -4,-3.0 6,-0.6 1,-0.2 4,-0.4 0.575 109.1 53.7 -62.6 -11.1 78.1 29.5 28.0 279 316 A F H 3< S+ 0 0 29 -4,-0.5 6,-0.3 -5,-0.2 -1,-0.2 0.829 114.9 36.7 -91.3 -36.2 78.8 32.3 30.4 280 317 A K H << S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.836 124.6 37.8 -85.9 -34.4 78.7 35.1 27.9 281 318 A Y S < S+ 0 0 168 -4,-2.9 2,-0.2 -5,-0.1 -3,-0.2 0.563 114.0 46.8 -98.6 -10.6 75.9 33.8 25.7 282 319 A T S > S- 0 0 9 -4,-0.4 3,-0.6 -5,-0.3 -42,-0.1 -0.579 91.0-100.6-117.5-176.0 73.4 32.3 28.1 283 320 A D T 3 S+ 0 0 75 1,-0.2 3,-0.2 -2,-0.2 -4,-0.1 0.186 93.7 103.3 -92.2 17.3 71.9 33.3 31.5 284 321 A L T 3 S+ 0 0 5 -6,-0.6 -72,-1.0 1,-0.3 2,-0.3 0.660 97.4 24.0 -69.2 -17.7 74.4 31.1 33.4 285 322 A Q E < S+I 211 0D 54 -3,-0.6 2,-0.3 -6,-0.3 -1,-0.3 -0.915 85.0 161.5-149.5 115.3 76.1 34.4 34.1 286 323 A I E -I 210 0D 41 -76,-1.4 -76,-2.6 -2,-0.3 2,-0.6 -0.959 43.1 -98.0-136.6 161.1 74.1 37.7 34.0 287 324 A N - 0 0 92 -2,-0.3 2,-0.6 -78,-0.2 -80,-0.0 -0.668 32.3-154.1 -82.5 111.8 74.3 41.3 35.2 288 325 A Y - 0 0 24 -2,-0.6 -80,-2.1 1,-0.0 2,-0.5 -0.800 11.2-156.3 -89.4 124.3 72.3 41.8 38.5 289 326 A N E - F 0 207C 75 -2,-0.6 -82,-0.2 -82,-0.2 2,-0.2 -0.895 3.2-146.9-108.2 121.8 71.2 45.4 38.8 290 327 A F E + F 0 206C 4 -84,-2.5 -84,-0.9 -2,-0.5 -140,-0.2 -0.568 23.9 165.6 -80.4 146.2 70.4 47.0 42.2 291 328 A N E -EF 149 205C 33 -142,-2.9 -142,-1.2 -2,-0.2 2,-0.8 -0.453 16.5-169.5-161.1 70.2 67.7 49.7 42.4 292 329 A M + 0 0 1 -88,-2.1 11,-2.6 -144,-0.2 2,-0.3 -0.616 21.3 151.5 -78.5 102.8 66.9 50.1 46.1 293 330 A V E +M 302 0F 21 -2,-0.8 2,-0.3 9,-0.2 9,-0.2 -0.980 9.4 158.8-131.6 146.1 63.8 52.2 46.5 294 331 A A E -M 301 0F 2 7,-1.6 7,-2.4 -2,-0.3 2,-0.7 -0.974 45.1 -83.8-160.6 164.6 61.1 52.3 49.2 295 332 A I E +M 300 0F 44 -292,-2.0 2,-0.4 -2,-0.3 -290,-0.4 -0.668 45.1 169.0 -82.9 107.4 58.3 54.5 50.8 296 333 A D E > S-M 299 0F 36 3,-2.2 3,-1.5 -2,-0.7 -2,-0.0 -0.958 73.4 -2.0-117.7 134.9 59.7 56.9 53.4 297 334 A N T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.451 133.2 -57.2 65.2 3.7 57.4 59.7 54.7 298 335 A F T 3 S+ 0 0 64 1,-0.3 -1,-0.3 0, 0.0 -3,-0.1 0.597 122.2 86.7 101.7 18.3 54.6 58.5 52.3 299 336 A T E < S-M 296 0F 86 -3,-1.5 -3,-2.2 -5,-0.1 -1,-0.3 -0.994 84.0 -98.7-148.1 141.0 56.7 58.9 49.1 300 337 A P E -M 295 0F 79 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.374 42.5-175.6 -62.6 136.1 59.2 56.6 47.2 301 338 A R E -M 294 0F 105 -7,-2.4 -7,-1.6 -2,-0.1 2,-0.4 -1.000 29.3-121.7-137.8 132.2 62.9 57.5 47.9 302 339 A Q E -M 293 0F 87 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.624 44.7-167.4 -72.8 130.5 66.1 56.0 46.4 303 340 A V - 0 0 4 -11,-2.6 -11,-0.1 -2,-0.4 2,-0.1 -0.966 20.8-156.7-135.9 138.9 67.9 54.6 49.4 304 341 A G > - 0 0 4 -2,-0.4 4,-1.2 -102,-0.2 -102,-0.2 -0.365 46.0 -86.4 -95.5-175.9 71.4 53.3 50.4 305 342 A I H > S+ 0 0 3 -104,-2.5 4,-2.3 1,-0.2 3,-0.3 0.902 122.8 50.5 -59.1 -46.1 72.5 51.0 53.2 306 343 A V H > S+ 0 0 38 -105,-0.6 4,-2.1 1,-0.2 5,-0.2 0.950 112.4 43.2 -63.9 -52.7 72.8 53.7 55.8 307 344 A P H > S+ 0 0 34 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.670 112.8 55.2 -72.8 -8.9 69.4 55.4 55.4 308 345 A I H X S+ 0 0 2 -4,-1.2 4,-1.3 -3,-0.3 -2,-0.2 0.918 114.6 39.0 -77.0 -51.0 67.7 52.0 55.2 309 346 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -3,-0.2 0.730 112.9 57.2 -71.1 -23.8 69.2 51.0 58.5 310 347 A S H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.876 106.5 48.6 -73.5 -38.3 68.7 54.5 59.9 311 348 A S H X S+ 0 0 17 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.824 112.4 51.1 -70.4 -30.1 64.9 54.2 59.2 312 349 A Y H X S+ 0 0 3 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.918 111.1 44.0 -73.9 -47.4 65.0 50.9 60.9 313 350 A I H X S+ 0 0 20 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.931 112.7 53.4 -65.0 -38.6 66.7 52.0 64.1 314 351 A A H X S+ 0 0 53 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.777 112.2 46.4 -64.7 -28.8 64.5 55.1 64.2 315 352 A H H X S+ 0 0 14 -4,-1.0 4,-1.7 2,-0.2 3,-0.2 0.926 108.3 54.5 -77.8 -50.2 61.4 52.7 63.9 316 353 A R H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.763 104.8 53.7 -58.4 -28.8 62.7 50.3 66.6 317 354 A R H X S+ 0 0 52 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.925 108.7 47.7 -74.4 -39.5 63.1 52.9 69.2 318 355 A E H X S+ 0 0 113 -4,-0.9 4,-1.6 -3,-0.2 -2,-0.2 0.793 111.5 52.0 -70.0 -30.0 59.5 54.2 68.9 319 356 A V H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.941 115.4 40.9 -69.2 -48.9 58.2 50.6 69.0 320 357 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.912 113.8 52.4 -67.1 -43.6 60.1 50.0 72.2 321 358 A L H X S+ 0 0 11 -4,-3.4 4,-1.1 1,-0.2 -1,-0.2 0.861 116.3 41.5 -62.5 -32.6 59.3 53.4 73.7 322 359 A A H X S+ 0 0 17 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.812 112.3 53.7 -84.3 -32.1 55.6 52.7 73.0 323 360 A R H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.942 111.4 46.5 -65.8 -46.8 55.8 49.0 74.2 324 361 A S H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.835 110.2 52.6 -65.5 -35.2 57.3 50.2 77.5 325 362 A R H X S+ 0 0 120 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.900 110.9 48.1 -69.4 -35.4 54.7 52.9 77.9 326 363 A F H X S+ 0 0 77 -4,-1.8 4,-1.5 -218,-0.3 -2,-0.2 0.947 116.2 43.0 -66.8 -50.6 52.0 50.4 77.4 327 364 A D H X S+ 0 0 43 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.740 108.5 56.8 -70.2 -27.4 53.5 47.9 79.9 328 365 A K H X S+ 0 0 61 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.938 111.5 44.3 -70.8 -40.4 54.4 50.5 82.5 329 366 A E H X S+ 0 0 125 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.817 112.0 52.5 -71.9 -32.6 50.7 51.6 82.7 330 367 A K H < S+ 0 0 90 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.927 112.4 45.0 -68.8 -42.9 49.5 48.0 82.7 331 368 A A H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.601 113.5 50.8 -76.2 -16.5 51.7 47.1 85.6 332 369 A E H X S+ 0 0 73 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.860 108.3 50.9 -85.2 -42.1 50.7 50.3 87.4 333 370 A K H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.496 118.0 41.9 -71.6 -5.7 47.0 49.6 86.9 334 371 A R H > S+ 0 0 112 -4,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.685 108.5 54.6-111.1 -31.8 47.8 46.1 88.4 335 372 A L H X S+ 0 0 19 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.903 103.5 58.1 -69.2 -39.9 50.2 47.0 91.3 336 373 A H H X S+ 0 0 63 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.860 110.9 43.8 -55.3 -39.3 47.5 49.4 92.7 337 374 A I H >> S+ 0 0 29 2,-0.2 4,-1.7 -5,-0.2 3,-0.7 0.949 112.4 50.5 -72.3 -50.2 45.2 46.4 92.9 338 375 A V H 3X S+ 0 0 2 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.867 105.4 56.8 -57.7 -40.3 47.8 44.0 94.3 339 376 A E H 3X S+ 0 0 90 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.822 108.7 47.1 -62.3 -32.4 48.8 46.5 97.1 340 377 A G H > + 0 0 46 -3,-0.4 4,-1.5 1,-0.2 3,-0.6 0.846 66.8 40.2 -37.6 -64.9 41.4 39.2 106.9 349 386 A D H 3> S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.781 107.8 63.0 -64.8 -31.6 38.3 38.8 109.0 350 387 A E H 34 S+ 0 0 111 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.5 42.2 -64.8 -34.1 37.3 42.5 108.9 351 388 A V H < S+ 0 0 2 -4,-1.3 3,-1.1 -3,-0.4 492,-0.3 0.883 108.9 48.7 -72.7 -39.3 30.8 42.1 102.8 356 393 A R T 3< S+ 0 0 72 -4,-1.6 491,-0.2 1,-0.3 -1,-0.2 0.841 109.4 54.3 -69.0 -29.8 28.4 39.5 104.5 357 394 A A T 3 S+ 0 0 85 -5,-0.2 -1,-0.3 489,-0.1 -2,-0.2 0.426 99.4 86.5 -82.5 -2.3 26.9 42.5 106.4 358 395 A S S < S- 0 0 6 -3,-1.1 489,-2.2 1,-0.1 6,-0.1 -0.497 75.9-130.1 -97.2 168.8 26.3 44.3 103.2 359 396 A E S S- 0 0 83 487,-0.2 489,-2.9 488,-0.2 490,-0.5 0.975 73.4 -15.0 -81.8 -66.7 23.3 44.2 100.7 360 397 A N S > S- 0 0 62 487,-0.2 4,-0.7 488,-0.2 487,-0.1 -0.513 79.2 -79.1-126.5-166.6 24.7 43.7 97.2 361 398 A K H >> S+ 0 0 38 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.949 128.0 40.8 -64.2 -52.4 28.0 43.9 95.2 362 399 A A H 3> S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.743 112.3 55.6 -71.1 -25.5 28.0 47.7 94.8 363 400 A D H 34 S+ 0 0 50 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.653 107.6 51.0 -80.6 -17.5 26.8 48.3 98.4 364 401 A A H << S+ 0 0 1 -4,-0.7 4,-0.3 -3,-0.6 -2,-0.2 0.783 107.5 52.0 -86.0 -32.0 29.8 46.2 99.6 365 402 A K H < S+ 0 0 32 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.789 110.7 48.1 -73.0 -30.5 32.2 48.3 97.5 366 403 A E S < S+ 0 0 164 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.712 104.6 60.1 -81.9 -22.3 30.7 51.5 99.1 367 404 A N S S+ 0 0 65 -4,-0.4 2,-2.0 1,-0.2 -1,-0.2 0.581 80.3 95.7 -79.5 -10.7 31.1 49.8 102.5 368 405 A L + 0 0 9 -3,-0.3 6,-0.8 -4,-0.3 -1,-0.2 -0.531 38.7 110.5 -85.2 68.8 34.9 49.6 101.7 369 406 A K 0 0 91 -2,-2.0 -1,-0.2 4,-0.2 4,-0.1 -0.252 360.0 360.0-124.3 23.4 35.7 52.8 103.5 370 407 A V 0 0 68 -3,-0.0 -2,-0.1 -19,-0.0 3,-0.1 0.481 360.0 360.0-124.4 360.0 37.4 50.3 105.9 371 ! 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 0.0 372 409 A Y 0 0 75 0, 0.0 2,-0.8 0, 0.0 -32,-0.0 0.000 360.0 360.0 360.0 -75.5 42.0 51.8 104.5 373 410 A D - 0 0 135 -3,-0.1 2,-0.5 -4,-0.1 -4,-0.2 -0.910 360.0-154.5-107.5 100.3 40.3 53.9 101.8 374 411 A F - 0 0 24 -6,-0.8 -6,-0.1 -2,-0.8 2,-0.1 -0.710 6.1-139.5 -84.6 124.2 39.6 51.6 98.9 375 412 A T > - 0 0 54 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.271 26.5-100.2 -76.7 163.5 39.3 53.0 95.4 376 413 A E H > S+ 0 0 140 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.856 119.6 38.1 -50.8 -52.2 36.8 52.0 92.7 377 414 A E H > S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.792 118.4 50.4 -74.3 -28.6 39.0 49.7 90.5 378 415 A Q H > S+ 0 0 18 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.823 108.7 51.6 -77.6 -34.6 40.7 48.3 93.6 379 416 A A H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.743 102.4 61.0 -73.9 -27.0 37.4 47.5 95.4 380 417 A E H X S+ 0 0 100 -4,-1.0 4,-1.8 -5,-0.2 3,-0.2 0.961 103.7 50.3 -64.2 -46.9 36.2 45.7 92.2 381 418 A A H < S+ 0 0 18 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.785 108.4 52.5 -61.6 -33.6 39.0 43.2 92.6 382 419 A I H >< S+ 0 0 5 -4,-1.0 3,-0.7 2,-0.2 460,-0.3 0.881 113.8 39.6 -72.5 -43.5 38.3 42.5 96.3 383 420 A V H 3< S+ 0 0 0 -4,-1.7 460,-2.4 1,-0.2 461,-0.3 0.736 118.3 49.2 -79.1 -24.5 34.6 41.7 95.9 384 421 A T T 3< S+ 0 0 41 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.129 86.4 124.1 -99.2 17.3 35.2 39.7 92.7 385 422 A L < - 0 0 29 -3,-0.7 457,-1.4 -5,-0.1 458,-0.1 -0.613 62.6-118.3 -83.3 139.2 38.1 37.8 94.3 386 423 A Q B > -N 841 0G 52 -2,-0.3 3,-0.7 455,-0.2 455,-0.2 -0.303 12.5-125.7 -71.9 156.4 37.9 34.0 94.2 387 424 A L G > S+ 0 0 23 451,-1.0 3,-0.8 453,-0.8 452,-0.2 0.647 107.3 65.9 -79.2 -13.8 37.8 31.9 97.4 388 425 A Y G > S+ 0 0 81 450,-1.1 3,-1.1 1,-0.2 6,-0.2 0.660 87.1 70.5 -78.7 -17.6 40.9 29.8 96.3 389 426 A R G < S+ 0 0 15 -3,-0.7 -1,-0.2 449,-0.2 -2,-0.1 0.287 85.6 69.0 -81.5 10.2 43.0 33.0 96.6 390 427 A L G < S+ 0 0 26 -3,-0.8 -1,-0.2 425,-0.0 2,-0.2 0.349 80.2 96.0-106.0 -1.9 42.7 32.8 100.4 391 428 A T S < S- 0 0 0 -3,-1.1 3,-0.5 3,-0.1 423,-0.2 -0.565 88.5-104.0 -88.7 158.1 44.8 29.6 100.7 392 429 A N S >> S+ 0 0 85 421,-1.6 4,-1.5 419,-0.3 3,-1.0 0.810 115.9 42.7 -51.4 -49.5 48.6 29.7 101.5 393 430 A T H 3> S+ 0 0 61 421,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.769 113.2 54.2 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0.893 109.2 57.7 -83.9 -43.5 23.1 23.2 88.3 790 372 B L H X S+ 0 0 19 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.920 103.2 54.5 -52.9 -49.9 20.8 22.0 91.1 791 373 B H H X S+ 0 0 55 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.894 111.0 44.4 -50.0 -51.4 23.5 19.8 92.6 792 374 B I H X S+ 0 0 34 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.925 113.3 51.3 -62.3 -44.8 25.9 22.8 92.9 793 375 B V H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.870 107.2 53.7 -62.7 -37.0 23.2 25.0 94.3 794 376 B E H X S+ 0 0 75 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.866 111.4 45.6 -65.1 -37.5 22.3 22.4 96.9 795 377 B G H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.813 107.8 57.3 -75.1 -30.2 25.9 22.3 98.0 796 378 B L H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.717 103.1 54.3 -73.4 -18.8 26.0 26.1 98.0 797 379 B I H >X S+ 0 0 61 -4,-1.0 4,-0.9 -3,-0.2 3,-0.8 0.874 107.1 52.0 -79.2 -37.3 23.1 26.1 100.5 798 380 B R H >X S+ 0 0 42 -4,-1.2 4,-1.9 1,-0.2 3,-1.0 0.932 106.2 51.6 -64.5 -47.0 25.2 23.9 102.7 799 381 B V H 3< S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.496 105.8 57.4 -71.3 -3.9 28.2 26.2 102.7 800 382 B I H X4 S+ 0 0 49 -3,-0.8 3,-0.6 -5,-0.1 -1,-0.3 0.703 106.4 48.3 -95.0 -25.1 26.0 29.1 103.7 801 383 B S H << S+ 0 0 94 -3,-1.0 3,-0.2 -4,-0.9 -2,-0.2 0.904 121.6 34.3 -79.8 -43.2 24.8 27.2 106.8 802 384 B I T 3X S+ 0 0 55 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 -0.268 83.3 138.8-105.2 45.4 28.4 26.3 107.9 803 385 B L H <> + 0 0 31 -3,-0.6 4,-1.1 1,-0.2 3,-0.2 0.933 68.2 44.7 -53.3 -59.9 29.8 29.6 106.5 804 386 B D H > S+ 0 0 95 1,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.720 113.9 50.7 -63.3 -24.5 32.2 30.5 109.3 805 387 B E H > S+ 0 0 117 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.852 112.6 45.5 -81.4 -36.8 33.5 26.9 109.6 806 388 B V H X S+ 0 0 9 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.618 106.3 62.1 -81.5 -12.1 34.2 26.8 105.8 807 389 B I H X S+ 0 0 25 -4,-1.1 4,-1.6 -5,-0.2 -2,-0.2 0.935 109.6 40.0 -74.6 -45.5 35.7 30.3 106.0 808 390 B A H X S+ 0 0 52 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.769 110.4 59.4 -73.9 -28.8 38.4 28.9 108.3 809 391 B L H < S+ 0 0 45 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.846 110.1 41.3 -69.3 -37.3 38.8 25.6 106.4 810 392 B I H >< S+ 0 0 4 -4,-1.1 3,-1.0 2,-0.2 -2,-0.2 0.854 115.9 51.3 -78.2 -35.8 39.8 27.4 103.1 811 393 B R H 3< S+ 0 0 78 -4,-1.6 -419,-0.3 1,-0.2 -2,-0.2 0.918 108.3 50.8 -66.7 -44.1 42.0 29.9 105.1 812 394 B A T 3< S+ 0 0 83 -4,-2.5 -1,-0.2 -421,-0.1 -2,-0.2 0.245 97.6 94.9 -80.6 12.4 43.9 27.1 106.9 813 395 B S < - 0 0 3 -3,-1.0 -421,-1.6 -423,-0.1 6,-0.1 -0.296 65.8-141.7 -96.1-179.5 44.6 25.3 103.6 814 396 B E S S- 0 0 91 1,-0.2 -421,-3.3 -423,-0.2 -420,-0.6 0.794 70.4 -2.3-108.3 -65.4 47.7 25.3 101.3 815 397 B N S S- 0 0 63 -423,-0.2 -1,-0.2 -422,-0.2 -423,-0.1 -0.400 80.9 -85.8-117.6-166.2 46.5 25.1 97.6 816 398 B K S >> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 3,-1.1 0.912 129.2 43.2 -69.3 -44.0 43.3 24.8 95.6 817 399 B A H 3> S+ 0 0 49 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.797 106.7 61.4 -73.6 -26.0 43.3 21.0 95.8 818 400 B D H 34 S+ 0 0 71 2,-0.2 -1,-0.3 1,-0.2 -4,-0.2 0.278 113.2 39.2 -82.0 10.0 44.2 21.2 99.5 819 401 B A H <4 S+ 0 0 2 -3,-1.1 -2,-0.2 -6,-0.1 -1,-0.2 0.586 117.4 47.7-119.7 -44.8 40.9 23.1 99.8 820 402 B K H >< S+ 0 0 23 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.923 118.8 38.0 -64.7 -49.9 39.0 20.9 97.3 821 403 B E T 3< S+ 0 0 166 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.2 0.671 110.0 64.5 -77.2 -15.9 40.0 17.5 98.7 822 404 B N T > S+ 0 0 61 -5,-0.4 2,-0.8 1,-0.2 3,-0.6 0.446 80.4 85.3 -84.0 -4.2 39.8 19.1 102.2 823 405 B L T < + 0 0 7 -3,-1.0 6,-1.0 1,-0.2 -1,-0.2 -0.415 47.4 115.7 -95.9 54.5 36.1 19.4 101.6 824 406 B K T 3 0 0 77 -2,-0.8 -1,-0.2 4,-0.1 -2,-0.1 0.735 360.0 360.0 -85.4 -33.2 35.4 15.9 102.8 825 407 B V < 0 0 102 -3,-0.6 -2,-0.2 3,-0.1 3,-0.2 0.230 360.0 360.0-113.1 360.0 33.4 17.6 105.6 826 ! 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 0.0 827 409 B Y 0 0 67 0, 0.0 2,-0.8 0, 0.0 -32,-0.0 0.000 360.0 360.0 360.0 170.4 29.0 17.5 104.3 828 410 B D - 0 0 141 -3,-0.2 2,-0.2 0, 0.0 -4,-0.1 -0.840 360.0-175.2 -94.5 109.1 30.2 15.3 101.4 829 411 B F - 0 0 24 -6,-1.0 2,-0.2 -2,-0.8 -6,-0.0 -0.549 16.2-125.4 -99.0 164.7 30.8 17.4 98.4 830 412 B T > - 0 0 49 -2,-0.2 4,-3.3 1,-0.0 5,-0.4 -0.562 31.6 -96.0-105.0 174.7 31.8 16.3 94.8 831 413 B E H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.0 0.863 127.9 36.0 -54.2 -41.5 34.7 17.2 92.5 832 414 B E H > S+ 0 0 109 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.693 117.2 52.8 -86.6 -24.9 32.4 19.8 90.7 833 415 B Q H > S+ 0 0 12 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.886 113.0 42.3 -79.6 -40.3 30.6 20.8 93.8 834 416 B A H X S+ 0 0 3 -4,-3.3 4,-1.6 2,-0.2 3,-0.2 0.769 111.4 57.5 -75.6 -26.9 33.8 21.6 95.8 835 417 B E H X S+ 0 0 84 -4,-0.7 4,-1.8 -5,-0.4 3,-0.4 0.971 105.0 52.5 -65.0 -46.5 35.2 23.3 92.6 836 418 B A H < S+ 0 0 16 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.642 107.1 51.6 -64.0 -21.3 32.2 25.5 92.7 837 419 B I H >< S+ 0 0 8 -4,-0.6 3,-0.8 -3,-0.2 -1,-0.2 0.836 111.6 44.6 -85.7 -38.1 32.7 26.6 96.3 838 420 B V H 3< S+ 0 0 0 -4,-1.6 -450,-1.1 -3,-0.4 -451,-1.0 0.767 112.6 54.6 -77.0 -25.1 36.4 27.6 95.9 839 421 B T T 3< S+ 0 0 41 -4,-1.8 2,-0.4 -452,-0.2 -1,-0.3 -0.231 85.1 108.8-102.4 41.7 35.5 29.4 92.7 840 422 B L < - 0 0 36 -3,-0.8 -453,-0.8 -5,-0.1 2,-0.2 -0.946 64.1-128.9-116.5 138.2 32.8 31.5 94.4 841 423 B Q B > -N 386 0G 44 -2,-0.4 3,-1.8 -455,-0.2 4,-0.3 -0.574 19.0-111.0 -92.3 158.8 33.5 35.2 94.9 842 424 B L G > S+ 0 0 15 -457,-1.4 3,-1.3 -460,-0.3 -458,-0.2 0.781 115.2 59.9 -52.7 -33.5 33.2 37.5 97.9 843 425 B Y G > S+ 0 0 68 -460,-2.4 3,-1.2 1,-0.3 6,-0.3 0.765 92.4 66.0 -69.3 -26.7 30.2 39.3 96.4 844 426 B R G < S+ 0 0 17 -3,-1.8 -1,-0.3 -461,-0.3 -2,-0.2 0.588 92.4 65.2 -72.2 -5.4 28.2 36.1 96.2 845 427 B L G < S+ 0 0 35 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.1 0.135 81.6 106.4-102.0 18.4 28.2 36.1 100.1 846 428 B T S <> S- 0 0 1 -3,-1.2 4,-0.6 -489,-0.1 5,-0.2 -0.473 85.1 -97.3 -92.1 169.6 26.1 39.3 100.5 847 429 B N H >> S+ 0 0 93 -489,-2.2 4,-1.4 -492,-0.3 3,-1.0 0.900 120.5 40.0 -50.9 -57.2 22.4 39.6 101.6 848 430 B T H 3> S+ 0 0 53 -489,-2.9 4,-2.4 1,-0.2 5,-0.2 0.840 112.0 56.4 -65.8 -37.3 20.8 39.9 98.2 849 431 B D H 34 S+ 0 0 45 -490,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 0.487 108.2 47.0 -77.4 -3.4 23.1 37.2 96.5 850 432 B V H S+ 0 0 17 -5,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.766 103.4 55.8 -77.1 -27.2 20.4 32.0 95.3 854 436 B Q H X S+ 0 0 116 -4,-1.0 4,-0.9 1,-0.2 -2,-0.2 0.852 109.8 45.4 -72.7 -35.0 17.6 30.7 97.5 855 437 B E H X S+ 0 0 131 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.740 102.8 63.5 -81.8 -22.4 15.0 31.4 94.7 856 438 B E H X S+ 0 0 46 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.855 100.2 55.2 -69.3 -32.5 17.2 29.9 92.0 857 439 B E H X S+ 0 0 56 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.913 111.2 43.0 -64.5 -45.9 16.9 26.5 93.8 858 440 B A H X S+ 0 0 58 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.930 113.4 51.4 -66.4 -45.7 13.1 26.7 93.7 859 441 B E H X S+ 0 0 136 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.833 113.1 47.2 -61.1 -35.4 13.0 27.9 90.1 860 442 B L H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.883 108.4 51.8 -75.0 -42.8 15.3 25.0 89.1 861 443 B R H X S+ 0 0 117 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.794 111.3 48.3 -67.3 -29.3 13.5 22.2 90.9 862 444 B E H X S+ 0 0 118 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.710 108.1 55.0 -82.0 -25.3 10.2 23.2 89.3 863 445 B K H X S+ 0 0 47 -4,-0.7 4,-3.4 2,-0.2 -2,-0.2 0.959 109.3 46.2 -71.7 -47.9 11.8 23.4 85.8 864 446 B I H X S+ 0 0 24 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.846 113.4 51.3 -61.6 -35.5 13.1 19.8 86.2 865 447 B A H X S+ 0 0 63 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.885 112.5 44.6 -69.6 -39.6 9.5 18.9 87.4 866 448 B M H >X S+ 0 0 111 -4,-1.9 4,-1.1 1,-0.2 3,-0.9 0.951 114.3 50.4 -68.6 -47.2 8.0 20.6 84.3 867 449 B L H 3X S+ 0 0 14 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.702 103.2 58.2 -64.8 -26.7 10.5 19.0 82.0 868 450 B A H 3X S+ 0 0 44 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.768 103.1 54.8 -75.7 -25.2 10.0 15.4 83.4 869 451 B A H S+ 0 0 86 -2,-0.5 4,-1.8 1,-0.2 5,-0.1 0.591 84.4 73.4 -79.5 -8.3 3.6 12.6 75.3 875 457 B R H > S+ 0 0 177 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.914 102.2 42.8 -69.6 -39.3 0.0 14.0 75.6 876 458 B T H > S+ 0 0 57 -3,-0.5 4,-0.6 -7,-0.3 -1,-0.2 0.657 107.7 59.4 -79.9 -21.0 1.5 17.0 77.4 877 459 B M H >X S+ 0 0 0 -4,-0.5 4,-1.6 -7,-0.3 3,-0.9 0.902 104.2 51.2 -72.6 -42.6 4.4 17.3 75.0 878 460 B Y H 3X S+ 0 0 59 -4,-1.8 4,-1.7 1,-0.3 -2,-0.2 0.810 106.5 55.9 -64.1 -27.0 1.9 17.8 72.2 879 461 B N H 3X S+ 0 0 79 -4,-0.8 4,-1.6 2,-0.2 -1,-0.3 0.706 103.9 52.2 -78.6 -22.3 0.3 20.5 74.3 880 462 B L H -d 1205 0Q 11 5,-1.0 4,-1.8 299,-0.3 5,-0.2 -0.840 20.3-117.2-110.0 150.4 -18.9 10.7 134.2 906 33 C I T 4 S+ 0 0 7 299,-1.2 129,-0.2 -2,-0.3 300,-0.1 0.708 105.3 56.9 -51.9 -26.6 -18.7 7.2 135.9 907 34 C R T 4 S+ 0 0 71 298,-0.4 128,-0.4 1,-0.1 127,-0.2 0.999 124.2 6.4 -73.8 -76.7 -19.7 8.7 139.3 908 35 C D T 4 S- 0 0 0 2,-0.1 -2,-0.1 126,-0.1 -1,-0.1 0.527 88.1-132.6 -88.3 -9.9 -23.0 10.4 139.1 909 36 C G < + 0 0 2 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.629 60.4 134.0 68.6 15.6 -23.7 9.4 135.6 910 37 C L - 0 0 1 -5,-0.2 -5,-1.0 118,-0.1 -1,-0.2 -0.712 53.6-134.5-103.0 149.2 -24.7 12.9 134.7 911 38 C K >> - 0 0 41 -2,-0.3 4,-2.6 -7,-0.2 3,-0.6 -0.683 38.1-105.3 -90.8 148.0 -23.8 15.1 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3 -3,-0.3 4,-2.1 2,-0.2 3,-0.2 0.971 114.8 40.3 -70.3 -54.0 -47.2 67.8 134.7 1666 346 D L H X S+ 0 0 3 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.635 111.8 56.9 -69.3 -18.1 -46.6 69.3 138.1 1667 347 D S H X S+ 0 0 50 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.859 112.6 42.4 -78.4 -37.2 -50.4 69.2 138.9 1668 348 D S H X S+ 0 0 21 -4,-1.4 4,-0.8 -3,-0.2 -2,-0.2 0.812 112.0 53.9 -77.2 -35.5 -50.2 65.4 138.3 1669 349 D Y H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 3,-0.2 0.876 110.0 44.7 -67.7 -46.3 -46.9 64.9 140.1 1670 350 D I H X S+ 0 0 18 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.767 108.3 59.6 -70.7 -24.3 -47.9 66.5 143.4 1671 351 D A H X S+ 0 0 49 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.784 109.8 43.9 -71.7 -28.1 -51.2 64.6 143.2 1672 352 D H H X S+ 0 0 15 -4,-0.8 4,-2.2 -3,-0.2 -2,-0.2 0.889 109.0 55.2 -81.7 -45.4 -49.1 61.4 143.2 1673 353 D R H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.839 106.7 51.6 -59.0 -31.8 -46.8 62.6 146.0 1674 354 D R H X S+ 0 0 76 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.936 109.8 49.7 -70.7 -39.1 -49.8 63.2 148.2 1675 355 D E H X S+ 0 0 107 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.847 113.0 47.9 -66.7 -32.9 -51.0 59.6 147.4 1676 356 D V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.990 114.9 42.8 -69.8 -58.3 -47.4 58.4 148.3 1677 357 D I H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.691 111.8 58.3 -64.5 -19.0 -47.2 60.3 151.6 1678 358 D L H X S+ 0 0 26 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.977 115.1 30.9 -75.6 -55.9 -50.8 59.4 152.5 1679 359 D A H X S+ 0 0 18 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.598 115.7 60.9 -79.8 -13.0 -50.4 55.6 152.4 1680 360 D R H X S+ 0 0 24 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.902 110.3 42.2 -75.3 -42.9 -46.7 55.8 153.5 1681 361 D S H X S+ 0 0 13 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.793 112.3 52.0 -73.6 -33.1 -47.9 57.4 156.6 1682 362 D R H X S+ 0 0 139 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.819 114.3 44.7 -72.0 -33.7 -50.9 55.0 157.1 1683 363 D F H X S+ 0 0 87 -4,-1.1 4,-1.6 -220,-0.3 -2,-0.2 0.937 114.8 48.1 -71.5 -51.1 -48.5 52.1 156.7 1684 364 D D H X S+ 0 0 51 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.787 112.3 50.0 -59.9 -31.7 -46.0 53.8 159.1 1685 365 D K H X S+ 0 0 55 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.934 107.9 52.3 -74.3 -44.2 -48.8 54.5 161.6 1686 366 D E H X S+ 0 0 117 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.782 108.1 53.0 -62.5 -28.5 -50.0 50.9 161.5 1687 367 D K H X S+ 0 0 93 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.928 111.5 44.0 -71.4 -48.2 -46.4 49.6 162.3 1688 368 D A H X S+ 0 0 7 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.798 109.4 56.9 -68.4 -32.5 -46.0 51.9 165.3 1689 369 D E H X S+ 0 0 86 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.916 111.2 42.8 -65.1 -44.1 -49.5 51.1 166.7 1690 370 D K H X S+ 0 0 60 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.779 114.6 51.2 -71.8 -31.9 -48.7 47.3 166.7 1691 371 D R H >X S+ 0 0 86 -4,-1.5 4,-2.7 2,-0.2 3,-0.5 0.928 110.4 47.9 -71.4 -45.3 -45.3 48.0 168.2 1692 372 D L H 3X S+ 0 0 21 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.805 104.2 62.2 -64.9 -30.9 -46.8 50.1 171.0 1693 373 D H H 3X S+ 0 0 55 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.881 113.5 34.9 -61.6 -39.0 -49.3 47.4 171.6 1694 374 D I H << S+ 0 0 26 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.842 115.6 55.0 -85.0 -38.0 -46.3 45.1 172.5 1695 375 D V H X S+ 0 0 1 -4,-2.7 4,-1.0 1,-0.2 3,-0.4 0.881 107.1 50.8 -65.9 -37.6 -44.2 47.8 174.1 1696 376 D E H >X S+ 0 0 102 -4,-2.7 2,-2.0 1,-0.3 4,-1.2 0.970 109.7 51.5 -63.0 -49.5 -47.0 48.7 176.6 1697 377 D G H 3< S+ 0 0 5 -4,-1.1 -1,-0.3 -5,-0.3 -4,-0.0 -0.530 105.2 58.2 -87.7 66.0 -47.4 45.1 177.5 1698 378 D L H 3> S+ 0 0 8 -2,-2.0 4,-1.9 -3,-0.4 -1,-0.2 0.167 98.8 52.3-157.2 -38.7 -43.7 44.7 178.2 1699 379 D I H X S+ 0 0 66 -4,-0.8 4,-1.1 -3,-0.2 3,-1.0 0.140 82.5 127.2-109.8 19.3 -44.1 41.5 187.6 1705 385 D L H 3> + 0 0 15 -3,-0.5 4,-2.1 1,-0.2 3,-0.3 0.735 61.8 58.8 -45.2 -43.2 -41.0 39.6 186.4 1706 386 D D H 3> S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.899 111.2 42.0 -59.2 -43.0 -40.4 37.6 189.6 1707 387 D E H <> S+ 0 0 68 -3,-1.0 4,-0.9 1,-0.2 -1,-0.2 0.649 111.7 57.5 -78.9 -17.6 -43.9 36.0 189.3 1708 388 D V H X S+ 0 0 9 -4,-1.1 4,-2.1 -3,-0.3 5,-0.2 0.882 100.8 54.5 -80.9 -37.9 -43.5 35.5 185.6 1709 389 D I H X S+ 0 0 15 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.926 112.9 43.4 -60.1 -46.7 -40.2 33.4 185.9 1710 390 D A H X S+ 0 0 57 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.764 112.7 52.1 -72.2 -29.8 -41.9 30.9 188.2 1711 391 D L H >< S+ 0 0 60 -4,-0.9 3,-0.6 2,-0.2 4,-0.4 0.949 111.6 44.2 -71.8 -50.7 -45.2 30.8 186.2 1712 392 D I H >< S+ 0 0 9 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.903 108.4 56.5 -60.8 -47.1 -43.6 30.0 182.8 1713 393 D R H 3< S+ 0 0 91 -4,-1.8 -412,-0.4 1,-0.3 -1,-0.2 0.739 105.1 56.3 -60.4 -21.2 -41.1 27.4 184.2 1714 394 D A T << S+ 0 0 80 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.605 92.8 89.1 -87.4 -16.2 -44.2 25.5 185.6 1715 395 D S S < S- 0 0 4 -3,-1.6 -414,-1.8 -4,-0.4 -413,-0.2 -0.133 73.3-127.3 -79.0 176.0 -46.0 25.1 182.2 1716 396 D E S S- 0 0 89 -416,-0.2 -414,-1.3 -415,-0.2 -413,-0.6 0.953 71.9 -13.8 -89.8 -63.6 -45.8 22.4 179.5 1717 397 D N S > S- 0 0 72 -415,-0.1 4,-1.5 -416,-0.1 5,-0.2 -0.556 77.2 -79.6-129.7-167.9 -45.1 24.0 176.1 1718 398 D K H > S+ 0 0 38 1,-0.2 4,-0.9 2,-0.2 21,-0.1 0.877 126.5 42.0 -65.1 -41.9 -45.0 27.4 174.2 1719 399 D A H 4 S+ 0 0 62 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.727 110.4 57.2 -79.5 -24.5 -48.8 27.5 173.6 1720 400 D D H > S+ 0 0 45 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.900 110.8 41.9 -73.4 -42.5 -49.7 26.4 177.1 1721 401 D A H < S+ 0 0 4 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.764 108.6 60.7 -74.3 -27.7 -47.8 29.2 178.9 1722 402 D K T < S+ 0 0 27 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.673 112.7 38.7 -72.4 -18.7 -49.1 31.7 176.3 1723 403 D E T 4 S+ 0 0 163 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.504 101.5 72.4-108.0 -10.6 -52.6 30.7 177.5 1724 404 D N < + 0 0 67 -4,-0.6 2,-1.3 1,-0.1 3,-0.2 0.547 68.7 109.4 -80.8 -9.5 -51.7 30.5 181.3 1725 405 D L + 0 0 19 -4,-0.4 5,-0.5 1,-0.2 -1,-0.1 -0.576 25.1 150.6 -77.3 91.3 -51.4 34.3 181.5 1726 406 D K 0 0 113 -2,-1.3 -1,-0.2 3,-0.1 -2,-0.0 0.712 360.0 360.0 -86.9 -29.1 -54.4 35.4 183.5 1727 407 D V 0 0 97 -3,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.941 360.0 360.0 -73.0 360.0 -52.3 38.4 184.8 1728 ! 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 1729 410 D D 0 0 148 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 66.1 -54.9 39.4 180.3 1730 411 D F - 0 0 41 -5,-0.5 -5,-0.1 1,-0.1 -3,-0.0 -0.964 360.0-118.6-119.7 140.6 -52.6 40.1 177.3 1731 412 D T > - 0 0 66 -2,-0.4 4,-2.3 4,-0.0 5,-0.2 0.122 37.5 -85.9 -67.8-173.2 -53.9 39.8 173.7 1732 413 D E H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -2,-0.0 0.991 123.9 37.5 -61.6 -68.6 -52.5 37.4 171.1 1733 414 D E H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.673 118.3 55.8 -60.0 -16.9 -49.5 39.2 169.5 1734 415 D Q H > S+ 0 0 26 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.977 107.2 44.2 -77.1 -59.7 -48.7 40.5 173.0 1735 416 D A H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.697 112.3 58.0 -59.4 -22.5 -48.4 37.2 174.8 1736 417 D E H >X S+ 0 0 70 -4,-1.6 4,-2.3 2,-0.2 3,-0.6 0.996 105.5 43.6 -71.5 -65.3 -46.4 35.9 171.8 1737 418 D A H 3< S+ 0 0 21 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.518 109.9 62.3 -61.0 -6.6 -43.5 38.4 171.8 1738 419 D I H 3< S+ 0 0 17 -4,-0.8 3,-0.5 1,-0.1 -442,-0.2 0.921 112.6 30.5 -83.8 -53.6 -43.4 38.1 175.7 1739 420 D V H << S+ 0 0 2 -4,-1.3 -442,-1.5 -3,-0.6 2,-0.5 0.731 119.1 57.6 -77.6 -24.3 -42.5 34.4 175.8 1740 421 D T S < S+ 0 0 38 -4,-2.3 2,-0.4 -444,-0.2 -1,-0.3 -0.471 86.9 115.7-101.8 52.8 -40.6 34.6 172.5 1741 422 D L - 0 0 47 -2,-0.5 -445,-1.3 -3,-0.5 2,-0.2 -0.947 67.8-110.7-123.0 147.9 -38.3 37.3 173.9 1742 423 D Q B > -R 1295 0X 53 -2,-0.4 3,-1.4 -447,-0.2 -447,-0.2 -0.472 16.6-128.0 -78.5 148.5 -34.6 37.1 174.4 1743 424 D L G > S+ 0 0 12 -449,-1.5 3,-0.8 -451,-0.4 -450,-0.2 0.627 107.0 67.4 -67.8 -18.5 -33.0 37.1 177.9 1744 425 D Y G > S+ 0 0 82 -452,-1.3 3,-0.7 1,-0.2 6,-0.3 0.594 88.8 66.6 -76.6 -14.8 -30.7 40.0 176.9 1745 426 D R G < S+ 0 0 25 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.597 89.4 65.7 -80.8 -9.9 -33.8 42.2 176.8 1746 427 D L G < S+ 0 0 25 -3,-0.8 2,-0.2 -4,-0.2 -1,-0.2 0.287 81.4 104.2 -92.6 5.4 -34.2 41.8 180.6 1747 428 D T S < S- 0 0 1 -3,-0.7 3,-0.2 3,-0.1 5,-0.2 -0.637 86.3-104.6 -90.7 151.8 -31.0 43.7 181.3 1748 429 D N S >> S+ 0 0 84 -480,-1.6 4,-1.3 -482,-0.5 3,-0.6 0.701 117.3 42.8 -43.0 -41.6 -30.9 47.4 182.5 1749 430 D T H 3> S+ 0 0 55 -480,-2.5 4,-2.0 1,-0.2 5,-0.2 0.921 113.9 50.4 -75.1 -45.5 -29.9 49.1 179.2 1750 431 D D H 34 S+ 0 0 47 -481,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 0.061 115.4 45.9 -81.0 21.3 -32.3 47.0 177.1 1751 432 D V H <> S+ 0 0 20 -3,-0.6 4,-0.7 -5,-0.1 -1,-0.2 0.462 110.8 51.2-127.8 -35.4 -35.1 47.9 179.6 1752 433 D V H < S+ 0 0 48 -4,-1.3 4,-0.5 -5,-0.2 -2,-0.2 0.795 111.2 45.6 -77.0 -33.1 -34.2 51.6 179.8 1753 434 D V T X S+ 0 0 77 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.568 105.6 63.7 -85.9 -10.1 -34.2 52.2 176.0 1754 435 D L H > S+ 0 0 28 -5,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.780 99.0 53.4 -79.4 -31.0 -37.5 50.2 175.8 1755 436 D Q H X S+ 0 0 101 -4,-0.7 4,-0.7 1,-0.2 -2,-0.2 0.749 106.2 54.4 -73.5 -27.7 -39.1 53.0 178.0 1756 437 D E H > S+ 0 0 108 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.750 96.0 64.1 -78.0 -27.1 -37.9 55.5 175.4 1757 438 D E H X S+ 0 0 53 -4,-0.7 4,-2.0 2,-0.2 5,-0.2 0.813 96.5 60.1 -67.5 -26.2 -39.6 53.7 172.5 1758 439 D E H X S+ 0 0 58 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.936 110.8 39.2 -64.9 -45.6 -42.9 54.4 174.2 1759 440 D A H X S+ 0 0 65 -4,-0.7 4,-1.0 1,-0.2 -2,-0.2 0.804 115.4 52.5 -74.5 -32.7 -42.2 58.2 173.9 1760 441 D E H < S+ 0 0 110 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.788 113.2 44.7 -74.2 -28.9 -40.6 57.8 170.4 1761 442 D L H >X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 3,-0.5 0.907 106.1 57.5 -82.2 -43.8 -43.7 56.0 169.1 1762 443 D R H 3X S+ 0 0 141 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.790 111.6 43.2 -57.9 -33.3 -46.4 58.2 170.6 1763 444 D E H 3X S+ 0 0 120 -4,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.688 111.8 53.3 -85.7 -21.7 -45.0 61.3 168.8 1764 445 D K H <> S+ 0 0 37 -3,-0.5 4,-2.0 -4,-0.5 -2,-0.2 0.805 110.9 48.3 -78.3 -32.5 -44.5 59.3 165.6 1765 446 D I H X S+ 0 0 43 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 113.8 46.1 -69.7 -46.4 -48.2 58.3 165.9 1766 447 D A H X S+ 0 0 56 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.837 111.8 51.7 -66.5 -34.2 -49.0 62.0 166.5 1767 448 D M H X S+ 0 0 106 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.913 114.7 42.4 -69.8 -41.2 -46.8 63.1 163.6 1768 449 D L H X S+ 0 0 12 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.900 114.0 50.0 -72.5 -42.8 -48.6 60.6 161.3 1769 450 D A H X S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.831 111.2 49.1 -65.8 -35.3 -52.1 61.3 162.5 1770 451 D A H X S+ 0 0 54 -4,-1.6 4,-0.6 2,-0.2 7,-0.3 0.722 110.2 51.0 -77.2 -24.6 -51.8 65.1 162.1 1771 452 D I H < S+ 0 0 22 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.736 113.2 47.4 -84.1 -21.8 -50.4 64.7 158.6 1772 453 D I H < S+ 0 0 66 -4,-1.3 -2,-0.2 1,-0.1 -3,-0.2 0.959 115.3 41.9 -81.4 -52.8 -53.4 62.5 157.8 1773 454 D G H < S+ 0 0 75 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.522 122.0 39.1 -73.5 -11.1 -56.1 64.8 159.2 1774 455 D D < - 0 0 72 -4,-0.6 -1,-0.1 -5,-0.1 4,-0.1 -0.992 60.1-165.2-140.5 132.2 -54.6 68.0 157.9 1775 456 D E S > S+ 0 0 79 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.492 81.5 73.8 -99.6 -0.6 -52.9 68.4 154.5 1776 457 D R T 4 S+ 0 0 201 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.832 103.0 44.6 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