==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUN-98 1GTU . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.V.PATSKOVSKY,L.N.PATSKOVSKA,I.LISTOWSKY . 868 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.8 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 . 8 0.9 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 . 39 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 8 0 4 1 5 2 0 0 0 4 0 0 0 0 0 0 4 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 3 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 99 0, 0.0 26,-0.2 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0-176.9 3.1 58.3 120.5 2 2 A M E -a 27 0A 17 24,-1.9 26,-2.1 62,-0.1 2,-0.5 -0.421 360.0-143.9 -64.9 149.2 6.3 58.2 122.7 3 3 A I E -aB 28 63A 49 60,-1.9 60,-2.2 24,-0.2 2,-0.6 -0.978 7.4-159.0-122.5 128.9 8.6 61.2 122.3 4 4 A L E -aB 29 62A 1 24,-2.6 26,-2.3 -2,-0.5 2,-0.5 -0.916 10.4-161.7-104.7 117.7 12.3 61.0 122.5 5 5 A G E +aB 30 61A 0 56,-2.9 56,-1.6 -2,-0.6 2,-0.3 -0.875 29.6 124.8-104.2 133.4 14.1 64.2 123.3 6 6 A Y E -a 31 0A 21 24,-1.9 26,-1.8 -2,-0.5 5,-0.0 -0.961 62.0 -72.1-170.1 166.7 17.8 64.8 122.6 7 7 A W E -a 32 0A 24 -2,-0.3 2,-2.3 24,-0.2 26,-0.2 -0.260 56.6-100.4 -60.9 157.1 20.2 67.0 120.7 8 8 A D S S+ 0 0 59 24,-2.0 2,-0.3 23,-0.1 -1,-0.1 -0.321 97.2 103.5 -74.4 51.0 20.2 66.7 116.9 9 9 A I S S- 0 0 13 -2,-2.3 198,-0.2 1,-0.2 4,-0.1 -0.840 80.8-125.4-129.9 160.0 23.3 64.6 117.5 10 10 A R S >> S+ 0 0 4 196,-2.7 3,-1.7 -2,-0.3 4,-0.9 0.974 70.0 121.6 -68.1 -63.1 24.0 60.8 117.5 11 11 A G G >4 S- 0 0 6 196,-1.9 3,-1.0 195,-0.4 197,-0.1 0.092 88.4 -20.1 36.0-138.9 25.5 60.9 121.0 12 12 A L G 34 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.406 128.4 71.9 -78.8 3.0 23.8 58.7 123.6 13 13 A A G <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.1 3,-0.3 0.659 70.7 87.9 -93.7 -15.7 20.6 58.4 121.7 14 14 A H H S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.820 113.4 53.2 -61.1 -34.3 21.2 52.8 120.7 16 16 A I H > S+ 0 0 0 -3,-0.3 4,-2.5 -4,-0.3 -2,-0.2 0.936 109.6 46.4 -67.7 -47.9 17.8 54.1 121.8 17 17 A R H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.961 114.0 49.0 -58.8 -52.1 16.7 55.0 118.3 18 18 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.941 112.6 48.4 -52.7 -49.5 17.9 51.7 117.0 19 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.859 109.1 52.5 -60.7 -39.4 16.1 49.9 119.8 20 20 A L H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 3,-0.3 0.955 113.5 44.4 -61.3 -46.7 12.9 51.8 119.1 21 21 A E H ><5S+ 0 0 49 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.933 109.8 53.1 -63.5 -50.4 13.0 50.8 115.5 22 22 A Y H 3<5S+ 0 0 62 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.9 47.1 -56.1 -28.1 13.9 47.2 116.1 23 23 A T T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.297 109.0-121.7 -96.9 5.3 10.8 47.0 118.4 24 24 A D T < 5 + 0 0 122 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.664 51.6 168.6 63.0 16.6 8.4 48.7 116.0 25 25 A S < - 0 0 22 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.398 35.1-129.3 -64.9 134.3 7.8 51.4 118.7 26 26 A S + 0 0 87 -2,-0.1 -24,-1.9 -23,-0.0 2,-0.3 -0.766 47.1 148.8 -87.1 118.2 5.8 54.5 117.5 27 27 A Y E -a 2 0A 39 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.943 36.4-148.6-144.6 164.5 7.7 57.6 118.5 28 28 A E E -a 3 0A 114 -26,-2.1 -24,-2.6 -2,-0.3 2,-0.4 -0.876 22.8-130.2-127.5 161.5 8.5 61.2 117.5 29 29 A E E -a 4 0A 48 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.947 6.9-157.2-121.4 137.4 11.7 63.0 118.2 30 30 A K E -a 5 0A 71 -26,-2.3 -24,-1.9 -2,-0.4 2,-0.4 -0.955 24.1-161.5-107.4 102.4 12.1 66.5 119.7 31 31 A K E -a 6 0A 82 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.2 -0.779 3.9-154.2 -91.6 137.0 15.5 67.5 118.5 32 32 A Y E -a 7 0A 0 -26,-1.8 -24,-2.0 -2,-0.4 2,-0.3 -0.945 7.8-146.0-111.4 129.2 17.3 70.3 120.2 33 33 A T - 0 0 58 -2,-0.5 2,-0.3 -26,-0.2 11,-0.3 -0.711 8.0-145.1 -95.4 144.9 19.9 72.4 118.4 34 34 A M - 0 0 9 -2,-0.3 8,-0.2 10,-0.1 2,-0.1 -0.815 22.8-108.7-108.5 147.2 23.0 73.8 120.0 35 35 A G - 0 0 19 6,-1.8 175,-0.1 -2,-0.3 -1,-0.0 -0.390 26.3-143.1 -73.9 152.5 24.6 77.1 119.2 36 36 A D + 0 0 97 4,-0.1 5,-0.4 -2,-0.1 3,-0.3 0.075 62.3 56.7 -91.3-155.2 27.9 77.4 117.3 37 37 A A S S- 0 0 58 1,-0.2 3,-0.1 3,-0.1 0, 0.0 -0.089 116.2 -53.4 62.3-165.8 30.6 80.0 117.9 38 38 A P S S+ 0 0 115 0, 0.0 2,-1.2 0, 0.0 -1,-0.2 0.689 130.2 75.0 -77.0 -12.8 32.2 80.3 121.4 39 39 A D S S- 0 0 129 -3,-0.3 2,-2.6 2,-0.1 -3,-0.0 -0.720 71.1-166.1 -98.8 81.7 28.6 80.8 122.8 40 40 A Y - 0 0 82 -2,-1.2 2,-0.4 -6,-0.1 -4,-0.1 -0.476 19.1-150.5 -70.9 76.0 27.4 77.2 122.6 41 41 A D + 0 0 88 -2,-2.6 -6,-1.8 -5,-0.4 3,-0.3 -0.378 30.7 169.3 -58.3 113.7 23.8 78.3 123.2 42 42 A R >> + 0 0 108 -2,-0.4 4,-2.4 -8,-0.2 3,-1.9 0.253 43.4 114.2-107.6 8.7 21.9 75.6 124.9 43 43 A S H 3> + 0 0 32 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.786 63.7 68.8 -52.9 -36.2 18.9 77.9 125.6 44 44 A Q H 34 S+ 0 0 86 -11,-0.3 -1,-0.3 -3,-0.3 4,-0.2 0.880 115.5 28.7 -51.7 -35.6 16.7 75.8 123.2 45 45 A W H X> S+ 0 0 12 -3,-1.9 4,-2.6 -12,-0.2 3,-1.8 0.927 119.6 52.6 -87.8 -57.2 17.0 73.1 125.9 46 46 A L H 3X S+ 0 0 80 -4,-2.4 4,-0.6 1,-0.3 -3,-0.2 0.873 105.1 56.8 -49.4 -42.6 17.5 75.2 129.1 47 47 A N H 3< S+ 0 0 108 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.734 120.3 29.7 -66.7 -18.8 14.5 77.3 128.4 48 48 A E H X4 S+ 0 0 56 -3,-1.8 3,-2.9 -5,-0.3 4,-0.5 0.615 93.5 98.9-111.2 -18.0 12.3 74.1 128.3 49 49 A K H 3< S+ 0 0 46 -4,-2.6 3,-0.5 1,-0.3 5,-0.3 0.749 90.2 36.9 -39.7 -46.8 14.4 71.9 130.7 50 50 A F T 3< S+ 0 0 129 -4,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.267 105.4 70.1 -98.3 14.1 12.1 72.5 133.8 51 51 A K S < S+ 0 0 171 -3,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.457 81.0 73.1-110.1 1.8 8.8 72.6 131.9 52 52 A L S S- 0 0 33 -3,-0.5 -1,-0.1 -4,-0.5 -2,-0.1 0.490 98.2-119.8 -94.5 -9.7 8.6 68.9 131.0 53 53 A G + 0 0 53 1,-0.3 2,-0.3 -3,-0.2 15,-0.1 0.723 56.3 156.9 76.7 20.2 7.8 67.4 134.4 54 54 A L - 0 0 14 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.656 42.2-142.1 -80.7 134.8 11.0 65.3 134.4 55 55 A D S S+ 0 0 68 -2,-0.3 -1,-0.1 13,-0.3 303,-0.1 0.939 100.0 21.1 -63.9 -48.1 12.1 64.2 137.9 56 56 A F S S- 0 0 4 -3,-0.1 -1,-0.3 2,-0.1 15,-0.1 -0.661 95.2-137.3-122.7 79.8 15.8 64.6 137.0 57 57 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 0.037 48.3 129.7 -40.3 119.4 15.8 67.0 133.9 58 58 A N - 0 0 55 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.984 50.3 -72.8-168.3 162.8 18.3 65.6 131.4 59 59 A L S S+ 0 0 15 -2,-0.3 2,-0.2 11,-0.1 -53,-0.2 -0.958 101.1 35.7-117.3 137.0 18.9 64.6 127.8 60 60 A P S S+ 0 0 1 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.613 78.3 167.9 -78.0 172.2 17.9 62.2 126.4 61 61 A Y E -BC 5 70A 2 -56,-1.6 -56,-2.9 9,-0.2 2,-0.4 -0.984 22.5-150.0-145.8 151.1 14.5 61.8 127.8 62 62 A L E -BC 4 69A 0 7,-2.1 7,-2.7 -2,-0.3 2,-0.6 -0.990 4.7-162.9-126.6 131.2 11.5 59.6 126.8 63 63 A I E +BC 3 68A 33 -60,-2.2 -60,-1.9 -2,-0.4 2,-0.4 -0.961 16.5 166.6-116.3 111.5 7.9 60.6 127.5 64 64 A D E > - C 0 67A 34 3,-3.0 3,-2.4 -2,-0.6 2,-0.3 -0.879 62.5 -61.4-128.8 104.1 5.4 57.7 127.3 65 65 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.477 121.3 -13.6 63.5-122.7 2.0 58.4 128.6 66 66 A A T 3 S+ 0 0 93 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.358 119.7 97.6 -89.7 2.9 2.4 59.2 132.3 67 67 A H E < +C 64 0A 64 -3,-2.4 -3,-3.0 2,-0.0 2,-0.5 -0.849 46.8 179.5 -99.5 123.1 6.0 57.9 132.3 68 68 A K E -C 63 0A 66 -2,-0.6 2,-0.4 -5,-0.2 -13,-0.3 -0.986 12.5-175.7-121.7 114.3 8.8 60.3 132.0 69 69 A I E -C 62 0A 1 -7,-2.7 -7,-2.1 -2,-0.5 2,-0.3 -0.903 8.0-174.3-113.5 142.9 12.2 58.6 132.0 70 70 A T E +C 61 0A 1 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.864 47.8 59.3-126.2 167.2 15.7 60.1 132.0 71 71 A Q S >> S- 0 0 13 -11,-0.9 4,-1.8 -2,-0.3 3,-1.0 0.747 78.6-110.6 82.4 114.9 19.1 58.5 131.8 72 72 A S H 3> S+ 0 0 10 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.859 114.5 48.0 -38.0 -67.4 20.0 56.3 128.7 73 73 A N H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.810 109.9 54.1 -51.2 -35.4 20.1 53.0 130.4 74 74 A A H <> S+ 0 0 2 -3,-1.0 4,-2.5 2,-0.2 -1,-0.3 0.925 111.0 44.8 -66.2 -46.1 16.8 53.6 132.1 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.5 5,-0.3 0.935 112.6 52.4 -62.6 -46.9 15.1 54.4 128.8 76 76 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.921 113.2 43.4 -54.1 -49.9 16.8 51.4 127.2 77 77 A C H X S+ 0 0 13 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.898 109.6 57.4 -63.5 -42.5 15.5 49.1 130.0 78 78 A Y H X S+ 0 0 2 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.948 115.5 36.0 -53.3 -54.0 12.0 50.7 129.9 79 79 A I H X S+ 0 0 2 -4,-2.4 4,-0.5 2,-0.2 3,-0.5 0.924 116.3 53.7 -64.4 -48.8 11.5 49.9 126.3 80 80 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.3 3,-1.7 0.904 105.0 54.6 -55.1 -44.7 13.4 46.5 126.5 81 81 A R H ><5S+ 0 0 59 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.862 102.2 59.2 -59.6 -33.7 11.2 45.3 129.3 82 82 A K H 3<5S+ 0 0 114 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.611 116.5 32.4 -69.7 -16.5 8.1 46.1 127.1 83 83 A H T <<5S- 0 0 85 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.130 113.8-106.2-129.0 18.1 9.4 43.6 124.5 84 84 A N T < 5S+ 0 0 104 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.800 73.1 139.6 63.3 33.0 11.1 41.0 126.6 85 85 A L < + 0 0 15 -5,-2.9 69,-2.5 -6,-0.2 70,-0.3 0.148 44.8 87.6 -95.4 16.6 14.6 42.2 125.5 86 86 A C S S- 0 0 32 -6,-0.3 7,-0.1 67,-0.2 6,-0.1 -0.771 96.1 -77.2-104.4 157.0 16.1 41.8 129.0 87 87 A G - 0 0 9 -2,-0.3 -1,-0.2 5,-0.2 3,-0.1 -0.033 33.2-163.8 -52.8 158.6 17.6 38.5 130.0 88 88 A E S S+ 0 0 107 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.745 72.9 55.3-109.1 -53.9 15.4 35.6 131.0 89 89 A T S > S- 0 0 74 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.472 90.3-116.2 -79.2 155.5 17.9 33.2 132.7 90 90 A E H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 117.6 56.5 -54.6 -43.7 19.9 34.5 135.6 91 91 A E H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 108.3 46.6 -55.9 -44.9 23.0 33.9 133.5 92 92 A E H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.958 110.9 51.9 -61.7 -50.5 21.7 36.2 130.8 93 93 A K H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 107.9 53.4 -53.2 -40.2 20.6 38.9 133.3 94 94 A I H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.942 110.2 45.7 -61.4 -48.6 24.1 38.8 134.7 95 95 A R H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.826 112.0 52.3 -65.2 -37.0 25.7 39.4 131.3 96 96 A V H X S+ 0 0 6 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.979 110.8 47.3 -61.6 -55.6 23.3 42.1 130.5 97 97 A D H X S+ 0 0 22 -4,-2.6 4,-1.6 2,-0.2 5,-0.2 0.887 112.1 48.7 -53.4 -49.1 24.0 44.0 133.7 98 98 A I H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 3,-0.2 0.966 117.4 41.6 -57.2 -51.5 27.8 43.7 133.4 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.898 105.4 62.1 -63.8 -49.5 27.7 45.0 129.8 100 100 A E H X S+ 0 0 5 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.900 116.9 33.4 -42.5 -45.3 25.1 47.7 130.3 101 101 A N H X S+ 0 0 13 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.928 116.2 55.3 -80.3 -43.9 27.6 49.3 132.7 102 102 A Q H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.899 108.1 48.3 -56.5 -48.7 30.8 48.2 130.9 103 103 A T H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.894 108.0 55.5 -59.4 -40.9 29.7 49.8 127.6 104 104 A M H X S+ 0 0 36 -4,-1.0 4,-2.1 -5,-0.4 -1,-0.2 0.879 108.6 50.3 -59.0 -35.9 28.8 53.0 129.4 105 105 A D H X S+ 0 0 47 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.978 111.8 44.1 -65.2 -58.2 32.4 53.0 130.8 106 106 A N H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.860 112.9 54.3 -56.4 -37.4 34.0 52.6 127.4 107 107 A H H X S+ 0 0 19 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.918 110.6 43.8 -61.8 -48.3 31.7 55.2 125.9 108 108 A M H X S+ 0 0 51 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.864 108.2 59.7 -67.2 -37.3 32.6 57.8 128.5 109 109 A Q H X S+ 0 0 67 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.934 109.6 42.0 -55.7 -48.4 36.3 57.0 128.2 110 110 A L H >X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-1.0 0.944 111.3 57.4 -62.1 -48.5 36.2 57.9 124.5 111 111 A G H 3X S+ 0 0 11 -4,-2.3 4,-0.8 1,-0.3 -2,-0.2 0.853 99.6 59.4 -50.2 -40.1 34.0 60.9 125.2 112 112 A M H 3X S+ 0 0 106 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.815 108.6 41.5 -64.9 -34.0 36.6 62.4 127.6 113 113 A I H << S+ 0 0 16 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.783 110.2 56.7 -83.9 -28.5 39.4 62.6 125.1 114 114 A C H < S+ 0 0 0 -4,-1.7 99,-2.0 1,-0.2 100,-1.5 0.586 113.6 40.6 -79.0 -10.8 37.2 63.9 122.2 115 115 A Y H < S+ 0 0 88 -4,-0.8 -1,-0.2 97,-0.2 -2,-0.2 0.574 93.9 96.9-103.9 -21.4 36.1 66.9 124.4 116 116 A N S >< S- 0 0 55 -4,-0.7 3,-1.5 -5,-0.2 6,-0.1 -0.623 74.2-137.8 -74.7 123.9 39.5 67.5 125.9 117 117 A P T 3 S+ 0 0 111 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.844 102.7 61.6 -48.8 -37.3 41.3 70.3 124.0 118 118 A E T >> + 0 0 104 1,-0.2 3,-1.6 2,-0.1 4,-1.6 0.082 66.4 135.8 -83.6 30.6 44.6 68.4 124.1 119 119 A F H <> + 0 0 11 -3,-1.5 4,-3.0 1,-0.3 -1,-0.2 0.834 63.6 60.7 -42.1 -49.4 42.9 65.6 122.1 120 120 A E H 34 S+ 0 0 140 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.814 107.1 44.4 -51.1 -40.9 46.0 65.2 119.9 121 121 A K H <> S+ 0 0 136 -3,-1.6 4,-0.6 2,-0.1 -1,-0.2 0.887 116.9 44.1 -72.6 -44.8 48.2 64.3 122.9 122 122 A L H X S+ 0 0 50 -4,-1.6 4,-2.1 1,-0.2 3,-0.5 0.869 95.9 77.5 -69.9 -41.3 45.8 61.9 124.5 123 123 A K H X S+ 0 0 59 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.825 90.5 53.3 -37.6 -55.0 44.8 60.1 121.2 124 124 A P H > S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.926 110.2 45.7 -50.6 -51.7 48.0 58.0 121.0 125 125 A K H X S+ 0 0 145 -4,-0.6 4,-2.0 -3,-0.5 3,-0.4 0.919 112.5 51.5 -60.5 -44.3 47.7 56.5 124.5 126 126 A Y H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.932 109.1 51.0 -56.4 -47.7 44.0 55.8 124.0 127 127 A L H < S+ 0 0 46 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.755 106.9 55.0 -62.6 -28.1 44.9 54.0 120.7 128 128 A E H < S+ 0 0 152 -4,-1.5 4,-0.4 -3,-0.4 -1,-0.2 0.924 112.8 40.7 -70.1 -44.7 47.5 51.9 122.6 129 129 A E H >X S+ 0 0 109 -4,-2.0 4,-1.5 1,-0.2 3,-0.6 0.718 95.6 83.9 -75.9 -25.2 45.0 50.7 125.1 130 130 A L H 3X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.856 83.6 56.3 -47.8 -48.5 42.2 50.1 122.6 131 131 A P H 3> S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 106.0 51.3 -55.6 -37.4 43.3 46.6 121.4 132 132 A E H <> S+ 0 0 101 -3,-0.6 4,-1.7 -4,-0.4 -2,-0.2 0.919 112.1 45.7 -66.5 -43.4 43.2 45.3 125.0 133 133 A K H X S+ 0 0 36 -4,-1.5 4,-1.6 2,-0.2 3,-0.3 0.962 113.7 48.0 -62.4 -52.8 39.6 46.6 125.6 134 134 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.893 106.8 59.3 -55.6 -40.6 38.3 45.3 122.2 135 135 A K H X S+ 0 0 102 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.915 101.5 54.1 -53.9 -47.6 39.9 42.0 122.9 136 136 A L H X S+ 0 0 29 -4,-1.7 4,-2.7 -3,-0.3 -1,-0.2 0.914 107.5 49.3 -56.0 -47.2 37.8 41.6 126.1 137 137 A Y H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.905 111.2 51.7 -58.7 -41.1 34.6 42.2 124.1 138 138 A S H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.971 111.9 44.1 -58.4 -57.4 35.8 39.6 121.6 139 139 A E H < S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.8 54.1 -58.1 -39.5 36.5 36.9 124.3 140 140 A F H < S+ 0 0 5 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.952 112.1 43.8 -60.3 -48.3 33.3 37.7 126.1 141 141 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.899 82.4 159.8 -63.7 -45.0 31.2 37.1 122.9 142 142 A G T 3< S- 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.374 71.6 -27.6 60.2-124.4 33.1 34.0 121.9 143 143 A K T 3 S+ 0 0 211 -2,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.265 105.3 112.3-106.9 4.2 31.1 31.9 119.4 144 144 A R < - 0 0 76 -3,-1.8 6,-0.1 1,-0.1 3,-0.1 -0.509 69.8-129.8 -76.2 153.1 27.6 32.9 120.6 145 145 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.696 90.1 29.6 -75.7 -16.7 25.5 35.1 118.1 146 146 A W B > S-D 149 0B 28 3,-1.5 3,-1.4 -5,-0.1 5,-0.1 -0.993 83.6-114.6-145.4 148.0 24.7 37.7 120.7 147 147 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.695 114.6 45.0 -54.5 -33.3 26.4 39.0 123.8 148 148 A A T 3 S- 0 0 3 3,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.622 126.0 -92.4 -85.4 -15.5 23.9 37.8 126.3 149 149 A G B < S-D 146 0B 10 -3,-1.4 -3,-1.5 2,-0.1 -1,-0.2 -0.963 82.4 -9.8 147.8-125.5 23.7 34.4 124.6 150 150 A N S S+ 0 0 131 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 0.382 118.0 60.7 -95.2 -0.8 21.4 33.0 122.0 151 151 A K S S- 0 0 67 -5,-0.1 -3,-0.4 -66,-0.0 2,-0.2 -0.990 86.6-111.8-129.0 142.6 18.9 35.8 121.9 152 152 A I - 0 0 18 -2,-0.4 2,-0.3 -4,-0.1 -2,-0.1 -0.489 39.7-178.7 -68.6 133.4 19.4 39.5 121.1 153 153 A T >> - 0 0 1 -2,-0.2 3,-1.5 -4,-0.1 4,-0.7 -0.795 46.1 -90.7-123.5 173.9 18.9 41.7 124.1 154 154 A F H >> S+ 0 0 2 -69,-2.5 4,-0.9 -2,-0.3 3,-0.5 0.764 119.2 68.7 -59.4 -26.1 19.0 45.5 124.5 155 155 A V H 3> S+ 0 0 0 -70,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.801 86.0 64.8 -64.5 -32.3 22.7 45.2 125.3 156 156 A D H <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.902 99.6 55.7 -57.8 -34.5 23.7 44.2 121.8 157 157 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.7 0.961 111.6 51.5 -67.8 -48.3 32.1 49.1 118.4 164 164 A D H 3X S+ 0 0 12 -4,-3.3 4,-1.9 1,-0.3 -2,-0.2 0.890 107.3 55.1 -56.4 -41.5 30.7 51.3 115.6 165 165 A L H 3X S+ 0 0 3 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.3 0.841 109.3 46.8 -60.7 -37.2 32.1 54.3 117.3 166 166 A H H < S- 0 0 66 -4,-3.4 3,-2.3 1,-0.1 4,-0.3 -0.818 74.8-159.0-125.5 92.2 40.2 54.1 114.2 171 171 A P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.677 86.6 49.3 -43.8 -30.6 39.0 52.2 111.0 172 172 A K T > S+ 0 0 152 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.570 78.9 96.7 -92.6 -11.1 41.4 49.2 111.5 173 173 A C T < S+ 0 0 21 -3,-2.3 3,-0.5 -7,-0.3 -1,-0.2 0.813 84.1 50.0 -51.8 -39.3 40.7 48.3 115.2 174 174 A L T > S+ 0 0 4 -3,-0.3 3,-2.3 -4,-0.3 7,-0.4 0.666 87.5 87.3 -74.2 -18.6 38.1 45.5 114.5 175 175 A D T < S+ 0 0 88 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.860 83.6 53.7 -49.1 -47.3 40.3 43.7 112.0 176 176 A A T 3 S+ 0 0 78 -4,-0.5 -1,-0.3 -3,-0.5 3,-0.1 0.449 107.7 59.1 -69.6 1.1 42.1 41.6 114.5 177 177 A F X> + 0 0 24 -3,-2.3 4,-1.7 1,-0.1 3,-1.1 -0.551 52.7 169.9-134.1 74.2 38.7 40.4 115.8 178 178 A P H 3> S+ 0 0 87 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.847 79.5 70.5 -53.4 -29.0 36.6 38.7 113.0 179 179 A N H 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.920 103.5 37.7 -48.5 -54.5 34.4 37.8 115.9 180 180 A L H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.912 112.2 58.2 -69.6 -45.2 33.2 41.4 116.4 181 181 A K H X S+ 0 0 76 -4,-1.7 4,-2.2 -7,-0.4 -2,-0.2 0.932 107.6 47.3 -50.7 -49.5 33.1 42.1 112.6 182 182 A D H X S+ 0 0 96 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.896 109.9 54.3 -59.0 -43.9 30.7 39.3 112.1 183 183 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.950 106.7 50.0 -53.9 -54.9 28.6 40.6 115.0 184 184 A I H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.916 111.9 49.8 -50.9 -46.3 28.4 44.0 113.4 185 185 A S H X S+ 0 0 79 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.928 109.5 49.9 -59.4 -48.8 27.3 42.3 110.2 186 186 A R H < S+ 0 0 86 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.876 114.1 47.0 -58.0 -38.8 24.6 40.3 112.0 187 187 A F H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.959 114.0 42.9 -69.4 -55.6 23.3 43.4 113.7 188 188 A E H 3< S+ 0 0 53 -4,-2.9 6,-0.2 1,-0.3 -1,-0.2 0.731 108.8 63.8 -64.0 -21.4 23.2 45.7 110.6 189 189 A G T 3< S+ 0 0 52 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.611 72.1 116.2 -76.8 -16.4 21.7 42.7 108.7 190 190 A L S <> S- 0 0 32 -3,-1.7 4,-2.7 -4,-0.4 5,-0.3 -0.358 75.1-125.0 -56.7 133.1 18.6 42.7 110.9 191 191 A E H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 108.9 42.4 -46.1 -52.9 15.7 43.4 108.6 192 192 A K H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.822 113.5 52.5 -68.1 -33.0 14.4 46.3 110.7 193 193 A I H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.972 112.8 42.5 -68.1 -52.8 17.9 47.7 111.4 194 194 A S H X S+ 0 0 34 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.899 112.6 54.8 -61.1 -42.5 18.9 47.8 107.7 195 195 A A H >< S+ 0 0 65 -4,-2.3 3,-0.6 -5,-0.3 -1,-0.2 0.913 113.1 42.4 -55.9 -45.1 15.5 49.2 106.7 196 196 A Y H >< S+ 0 0 5 -4,-1.9 3,-1.8 1,-0.2 6,-0.5 0.870 108.5 59.9 -69.5 -37.0 16.0 52.0 109.2 197 197 A M H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.667 104.0 51.6 -68.0 -16.0 19.6 52.5 108.1 198 198 A K T << S+ 0 0 181 -4,-1.0 -1,-0.3 -3,-0.6 2,-0.2 0.192 98.0 87.2-103.7 14.2 18.4 53.3 104.6 199 199 A S S < S- 0 0 38 -3,-1.8 3,-0.5 -5,-0.1 -3,-0.0 -0.532 88.5-110.1-105.6 177.6 15.9 55.9 105.6 200 200 A S S S+ 0 0 104 1,-0.2 -3,-0.1 -2,-0.2 -4,-0.1 0.438 112.2 71.0 -83.2 -3.6 16.1 59.7 106.2 201 201 A R S S+ 0 0 125 -5,-0.2 2,-0.2 2,-0.0 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-1,-0.3 0.090 81.7 101.7 -86.9 21.8 31.8 71.7 121.4 212 212 A A < - 0 0 6 -3,-1.5 -97,-0.2 1,-0.1 4,-0.2 -0.809 66.5-143.9-104.3 148.0 33.9 68.6 120.8 213 213 A V S S+ 0 0 67 -99,-2.0 2,-0.4 -2,-0.3 -98,-0.2 0.757 90.5 33.1 -80.4 -25.7 37.3 68.6 119.1 214 214 A W S S+ 0 0 51 -100,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.993 120.7 19.6-131.3 140.7 36.6 65.3 117.4 215 215 A G S S+ 0 0 10 -2,-0.4 -7,-2.0 1,-0.3 -8,-1.4 0.474 91.9 123.7 85.1 3.0 33.3 63.9 116.1 216 216 A N 0 0 56 -4,-0.2 -1,-0.3 -9,-0.2 -6,-0.1 -0.360 360.0 360.0 -87.6 173.9 31.6 67.3 116.0 217 217 A K 0 0 138 -9,-0.2 -1,-0.1 -2,-0.1 -8,-0.1 -0.279 360.0 360.0-175.8 360.0 30.0 69.0 113.0 218 !* 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 0.0 219 1 B P 0 0 104 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 162.5 30.8 32.2 151.0 220 2 B M E -e 245 0C 15 24,-1.9 26,-2.0 62,-0.1 2,-0.5 -0.558 360.0-145.2 -72.2 147.6 30.7 35.1 148.4 221 3 B I E -eF 246 281C 43 60,-1.6 60,-2.2 24,-0.2 2,-0.5 -0.981 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S+ 0 0 2 -69,-2.8 4,-0.8 -2,-0.3 3,-0.6 0.770 118.5 69.0 -62.4 -26.1 18.7 48.3 146.6 373 155 B V H >> S+ 0 0 0 -70,-0.3 4,-3.1 1,-0.2 3,-0.6 0.833 86.7 64.7 -60.8 -38.5 18.7 52.0 145.3 374 156 B D H <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.3 -1,-0.2 0.898 99.0 54.9 -54.7 -35.2 18.1 53.3 148.8 375 157 B F H < S- 0 0 63 -4,-3.3 3,-2.6 -5,-0.1 4,-0.3 -0.774 73.9-161.1-125.4 89.1 29.6 69.9 153.1 389 171 B P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.651 85.7 47.5 -43.2 -32.8 28.1 69.3 156.6 390 172 B K T > S+ 0 0 156 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.549 80.9 98.3 -93.6 -6.8 25.2 71.7 156.2 391 173 B C G X S+ 0 0 19 -3,-2.6 3,-0.5 -7,-0.3 -1,-0.2 0.808 83.6 47.6 -52.7 -41.2 23.9 70.6 152.8 392 174 B L G > S+ 0 0 5 -3,-0.3 3,-2.6 -4,-0.3 7,-0.4 0.742 89.2 87.4 -74.2 -23.0 21.1 68.4 154.0 393 175 B D G < S+ 0 0 91 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 83.1 54.9 -44.6 -44.3 19.8 71.0 156.5 394 176 B A G < S+ 0 0 79 -3,-0.5 -1,-0.3 -4,-0.5 3,-0.1 0.556 107.5 57.1 -68.8 -7.7 17.5 72.7 154.0 395 177 B F X> + 0 0 29 -3,-2.6 4,-1.7 1,-0.1 3,-0.9 -0.695 53.3 172.5-130.0 82.8 15.9 69.3 153.3 396 178 B P H 3> S+ 0 0 83 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.866 79.9 71.8 -57.6 -29.1 14.4 67.6 156.4 397 179 B N H 3> S+ 0 0 35 1,-0.3 4,-1.7 2,-0.2 -2,-0.0 0.906 104.3 36.4 -46.2 -53.7 13.0 65.1 153.8 398 180 B L H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.862 111.6 59.8 -74.8 -38.1 16.5 63.7 153.3 399 181 B K H X S+ 0 0 86 -4,-1.7 4,-2.0 -7,-0.4 -2,-0.2 0.934 108.3 46.1 -55.9 -47.8 17.6 64.1 156.9 400 182 B D H X S+ 0 0 63 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.909 108.3 56.4 -60.9 -46.4 14.8 61.8 158.0 401 183 B F H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.922 106.8 48.6 -51.7 -50.1 15.6 59.3 155.3 402 184 B I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.922 111.8 51.8 -58.6 -40.1 19.2 59.0 156.6 403 185 B S H X S+ 0 0 16 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.945 109.5 47.4 -59.9 -53.5 17.7 58.5 160.0 404 186 B R H >X S+ 0 0 75 -4,-2.9 4,-0.8 1,-0.2 3,-0.6 0.950 114.9 47.6 -51.6 -52.9 15.3 55.7 158.9 405 187 B F H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.926 111.2 46.7 -56.6 -57.1 18.1 54.0 157.1 406 188 B E H 3< S+ 0 0 51 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.697 107.4 63.7 -61.9 -16.0 20.8 54.1 159.8 407 189 B G H << S+ 0 0 4 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.743 70.8 115.0 -78.4 -27.5 18.0 52.9 162.1 408 190 B L S S+ 0 0 66 434,-2.4 4,-2.3 1,-0.3 5,-0.2 0.862 108.8 42.5 -44.3 -53.8 18.6 46.8 162.9 410 192 B K H > S+ 0 0 39 433,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.870 113.6 52.8 -64.8 -37.3 21.2 45.2 160.6 411 193 B I H > S+ 0 0 0 -3,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.954 112.6 43.0 -63.7 -48.8 22.6 48.6 159.4 412 194 B S H X S+ 0 0 19 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.924 112.6 53.5 -64.1 -44.9 23.1 49.9 162.9 413 195 B A H >< S+ 0 0 64 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.931 113.4 43.5 -53.6 -47.8 24.6 46.6 164.1 414 196 B Y H >< S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 6,-0.6 0.863 107.4 59.3 -67.5 -37.7 27.0 46.7 161.3 415 197 B M H 3< S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.702 107.2 47.7 -67.3 -18.8 27.8 50.4 161.8 416 198 B K T << S+ 0 0 138 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.330 98.4 90.7-101.1 4.7 29.0 49.7 165.3 417 199 B S S < S- 0 0 38 -3,-1.6 3,-0.3 -5,-0.1 -3,-0.0 -0.320 88.2-111.2 -91.0-179.7 31.2 46.7 164.3 418 200 B S S S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.537 113.6 70.3 -84.0 -10.2 34.9 46.5 163.4 419 201 B R S S+ 0 0 131 -5,-0.2 -1,-0.2 2,-0.0 -4,-0.1 0.798 72.7 104.8 -74.4 -32.7 33.7 45.6 159.9 420 202 B F - 0 0 43 -6,-0.6 -5,-0.1 -3,-0.3 -6,-0.0 -0.290 47.1-177.1 -56.6 128.4 32.4 49.1 159.3 421 203 B L + 0 0 26 1,-0.1 -1,-0.1 -189,-0.1 -189,-0.1 -0.627 15.2 160.6-131.0 73.2 34.7 51.1 157.0 422 204 B P + 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -194,-0.1 0.722 53.9 73.8 -68.6 -21.6 33.3 54.6 156.6 423 205 B R + 0 0 104 -195,-0.1 2,-0.2 -196,-0.1 11,-0.1 -0.972 52.9 54.6-160.3 160.6 36.6 56.1 155.4 424 206 B P - 0 0 22 0, 0.0 -196,-2.4 0, 0.0 -195,-0.3 0.421 62.7-160.5 -57.0 150.2 39.0 56.7 153.6 425 207 B V + 0 0 3 8,-1.6 -196,-1.3 -2,-0.2 2,-0.2 0.862 68.0 11.9 -79.0 -41.5 36.4 58.0 151.0 426 208 B F S S- 0 0 7 7,-2.4 9,-0.2 1,-0.1 -198,-0.1 -0.731 96.0 -71.7-129.8 175.7 38.7 57.7 148.0 427 209 B S > - 0 0 14 -2,-0.2 3,-1.5 7,-0.1 -1,-0.1 -0.186 52.5 -95.0 -68.4 167.8 42.1 56.2 147.1 428 210 B K T 3 S+ 0 0 51 1,-0.3 -1,-0.1 6,-0.1 6,-0.1 0.637 120.5 65.0 -57.5 -16.8 45.5 57.5 148.3 429 211 B M T 3 S+ 0 0 88 -171,-0.0 2,-0.3 -175,-0.0 -1,-0.3 0.080 79.5 103.0 -97.4 22.1 45.8 59.5 145.1 430 212 B A < - 0 0 7 -3,-1.5 -97,-0.2 5,-0.1 4,-0.2 -0.768 66.1-142.2-101.9 151.9 42.9 61.8 145.7 431 213 B V S S+ 0 0 67 -99,-2.4 2,-0.4 -2,-0.3 -98,-0.2 0.688 90.7 34.0 -84.0 -21.6 43.3 65.4 146.9 432 214 B W S S+ 0 0 56 -100,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.997 120.0 18.2-133.4 141.8 40.2 65.1 149.2 433 215 B G S S+ 0 0 10 -2,-0.4 -7,-2.4 1,-0.3 -8,-1.6 0.624 91.4 126.6 78.3 13.1 38.9 62.2 151.1 434 216 B N 0 0 63 -9,-0.2 -1,-0.3 -10,-0.2 -6,-0.1 -0.403 360.0 360.0 -92.0 178.0 42.2 60.3 151.0 435 217 B K 0 0 133 -9,-0.2 -5,-0.1 -2,-0.1 -3,-0.0 -0.893 360.0 360.0 177.5 360.0 44.2 58.9 153.9 436 !* 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 0.0 437 1 C P 0 0 98 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 177.3 23.2 60.5 204.4 438 2 C M E -i 463 0E 15 24,-2.2 26,-2.1 62,-0.1 2,-0.4 -0.513 360.0-149.3 -67.7 140.1 20.3 60.0 202.0 439 3 C I E -iJ 464 499E 48 60,-1.9 60,-2.7 24,-0.2 2,-0.5 -0.957 7.6-162.6-114.9 138.1 18.1 63.1 201.7 440 4 C L E -iJ 465 498E 1 24,-2.4 26,-1.9 -2,-0.4 2,-0.4 -0.974 7.3-159.0-120.5 117.0 14.4 62.8 200.9 441 5 C G E +iJ 466 497E 0 56,-2.6 56,-1.4 -2,-0.5 2,-0.3 -0.832 29.4 129.2-101.6 138.9 12.6 65.9 199.6 442 6 C Y E -i 467 0E 22 24,-1.7 26,-1.6 -2,-0.4 -2,-0.0 -0.951 61.2 -76.0-168.7 166.7 8.9 66.4 199.9 443 7 C W E -i 468 0E 25 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.326 57.9 -99.5 -63.6 157.1 6.3 68.9 201.0 444 8 C D S S+ 0 0 54 24,-2.1 2,-0.3 23,-0.0 -1,-0.1 -0.356 97.1 98.8 -77.5 57.8 6.0 69.0 204.8 445 9 C I S S- 0 0 12 -2,-2.4 198,-0.2 1,-0.2 4,-0.1 -0.830 84.0-116.0-136.4 165.3 2.9 66.8 204.4 446 10 C R S >> S+ 0 0 3 196,-2.6 3,-1.5 -2,-0.3 4,-0.8 0.984 71.6 121.3 -66.7 -67.6 2.1 63.0 204.6 447 11 C G G >4 S- 0 0 6 196,-2.1 3,-1.0 195,-0.3 197,-0.1 0.087 87.7 -21.3 40.3-143.3 1.2 62.6 200.9 448 12 C L G 34 S+ 0 0 57 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.441 129.0 70.3 -76.0 -1.4 3.1 60.2 198.8 449 13 C A G <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.1 -1,-0.2 0.683 71.0 89.3 -91.3 -17.0 6.1 60.2 201.1 450 14 C H H S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.868 113.6 54.0 -59.9 -38.7 5.4 54.8 202.8 452 16 C I H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.939 109.8 47.2 -62.4 -45.7 8.9 56.0 201.9 453 17 C R H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.955 112.9 48.2 -61.6 -51.5 9.4 57.4 205.4 454 18 C L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.922 113.4 48.0 -55.4 -47.1 8.1 54.2 207.1 455 19 C L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.872 107.6 55.7 -62.2 -38.9 10.3 52.1 204.8 456 20 C L H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 -1,-0.2 0.925 112.9 42.8 -58.1 -42.8 13.3 54.3 205.6 457 21 C E H ><5S+ 0 0 51 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.933 110.5 52.0 -69.9 -52.3 12.8 53.7 209.3 458 22 C Y H 3<5S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.2 49.7 -57.5 -26.2 12.1 50.0 209.2 459 23 C T T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.391 108.6-123.4 -94.9 1.5 15.3 49.5 207.2 460 24 C D T < 5 + 0 0 119 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.778 50.1 168.6 62.7 27.5 17.5 51.6 209.5 461 25 C S < - 0 0 23 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.2 -0.496 35.4-129.1 -73.2 140.5 18.5 53.9 206.7 462 26 C S + 0 0 88 -2,-0.2 -24,-2.2 -23,-0.0 2,-0.3 -0.846 48.4 147.7 -92.7 116.5 20.3 57.1 207.7 463 27 C Y E -i 438 0E 38 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.909 38.0-146.9-144.6 169.7 18.5 60.0 206.1 464 28 C E E -i 439 0E 116 -26,-2.1 -24,-2.4 -2,-0.3 2,-0.5 -0.930 22.0-131.0-134.3 155.9 17.5 63.7 206.4 465 29 C E E -i 440 0E 48 -2,-0.3 2,-1.0 -26,-0.2 -24,-0.2 -0.947 5.4-157.2-117.7 129.0 14.4 65.3 205.1 466 30 C K E -i 441 0E 79 -26,-1.9 -24,-1.7 -2,-0.5 2,-0.3 -0.876 24.4-163.9 -99.9 96.4 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C D + 0 0 88 -2,-2.1 -6,-1.9 -5,-0.4 3,-0.2 -0.509 32.2 166.8 -68.9 114.9 3.0 79.6 196.7 478 42 C R >> + 0 0 115 -2,-0.6 4,-2.7 -8,-0.2 3,-1.1 0.208 44.0 112.1-108.8 11.5 5.2 76.7 195.5 479 43 C S H 3> + 0 0 36 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.794 64.7 67.7 -58.6 -36.8 8.2 78.9 194.9 480 44 C Q H 34 S+ 0 0 88 -11,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.913 115.9 29.3 -49.9 -41.0 10.2 77.3 197.7 481 45 C W H X> S+ 0 0 11 -3,-1.1 4,-2.1 -12,-0.2 3,-1.7 0.935 119.9 53.4 -82.3 -53.1 10.2 74.2 195.5 482 46 C L H 3X S+ 0 0 74 -4,-2.7 4,-0.6 1,-0.3 -3,-0.2 0.860 103.9 55.8 -54.7 -40.7 10.1 75.8 192.1 483 47 C N H 3< S+ 0 0 111 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.1 0.682 120.9 31.3 -68.4 -15.7 13.1 78.1 192.7 484 48 C E H X4 S+ 0 0 59 -3,-1.7 3,-2.4 -5,-0.3 4,-0.4 0.581 92.3 98.0-114.7 -12.6 15.1 75.0 193.5 485 49 C K H 3< S+ 0 0 47 -4,-2.1 3,-0.5 1,-0.3 5,-0.3 0.786 90.6 38.3 -45.9 -42.8 13.4 72.5 191.2 486 50 C F T 3< S+ 0 0 128 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.224 105.9 66.7 -99.8 16.3 16.0 72.7 188.5 487 51 C K S < S+ 0 0 171 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.327 81.1 75.2-115.0 4.1 19.1 73.0 190.6 488 52 C L S S- 0 0 34 -3,-0.5 -2,-0.1 -4,-0.4 -1,-0.1 0.637 98.8-119.8 -92.0 -16.7 19.1 69.5 192.2 489 53 C G + 0 0 49 1,-0.3 2,-0.4 -4,-0.1 15,-0.1 0.820 55.9 157.2 80.9 30.8 20.4 67.6 189.1 490 54 C L - 0 0 14 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.738 42.4-141.6 -88.9 138.7 17.3 65.4 188.9 491 55 C D S S+ 0 0 73 -2,-0.4 -1,-0.1 13,-0.3 303,-0.1 0.896 100.7 20.4 -66.8 -43.0 16.5 64.0 185.5 492 56 C F S S- 0 0 3 2,-0.1 -1,-0.3 -3,-0.1 15,-0.1 -0.676 95.6-137.0-127.9 76.8 12.8 64.4 185.8 493 57 C P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.009 48.0 130.2 -40.2 118.2 12.4 67.1 188.6 494 58 C N - 0 0 58 -9,-0.1 -2,-0.1 13,-0.0 0, 0.0 -0.984 50.6 -74.8-167.5 159.9 9.6 66.1 190.9 495 59 C L S S+ 0 0 16 -2,-0.3 -53,-0.1 11,-0.1 2,-0.1 -0.943 101.6 37.7-112.1 136.0 8.6 65.6 194.6 496 60 C P S S+ 0 0 2 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.633 78.0 165.2 -80.9 167.5 9.3 63.3 196.3 497 61 C Y E -JK 441 506E 1 -56,-1.4 -56,-2.6 9,-0.2 2,-0.4 -0.977 23.7-149.3-144.0 150.9 12.9 62.7 195.4 498 62 C L E -JK 440 505E 0 7,-2.2 7,-2.7 -2,-0.3 2,-0.6 -0.993 4.5-163.2-128.1 130.2 15.7 60.8 197.0 499 63 C I E +JK 439 504E 30 -60,-2.7 -60,-1.9 -2,-0.4 2,-0.6 -0.936 15.0 168.4-118.3 105.6 19.4 61.7 196.8 500 64 C D E > - K 0 503E 32 3,-2.8 3,-2.2 -2,-0.6 2,-0.2 -0.846 63.4 -66.6-119.8 95.1 21.8 59.0 197.8 501 65 C G T 3 S- 0 0 62 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 -0.470 120.6 -8.3 65.0-127.8 25.3 59.8 196.8 502 66 C A T 3 S+ 0 0 96 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.576 118.9 95.5 -76.2 -11.6 25.5 59.9 193.0 503 67 C H E < -K 500 0E 63 -3,-2.2 -3,-2.8 2,-0.0 2,-0.6 -0.745 49.1-179.4 -90.4 118.6 22.0 58.5 192.7 504 68 C K E -K 499 0E 64 -2,-0.6 2,-0.4 -5,-0.2 -13,-0.3 -0.966 12.1-177.7-117.0 117.3 19.1 60.9 192.2 505 69 C I E -K 498 0E 1 -7,-2.7 -7,-2.2 -2,-0.6 2,-0.3 -0.910 11.5-177.1-119.0 144.0 15.7 59.3 192.0 506 70 C T E +K 497 0E 3 -2,-0.4 -9,-0.2 -9,-0.2 250,-0.1 -0.876 47.5 65.7-129.4 166.6 12.2 60.6 191.4 507 71 C Q S >> S- 0 0 14 -11,-0.9 4,-1.9 -2,-0.3 3,-1.2 0.728 76.9-114.1 83.9 112.9 8.8 58.8 191.4 508 72 C S H >> S+ 0 0 9 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.857 115.3 46.6 -34.8 -63.4 7.5 57.2 194.6 509 73 C N H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.781 109.3 55.8 -58.6 -30.5 7.7 53.7 193.4 510 74 C A H <> S+ 0 0 4 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.903 110.3 44.6 -69.1 -40.5 11.2 54.2 192.0 511 75 C I H <>S+ 0 0 0 -4,-2.9 5,-2.6 -5,-0.3 3,-1.4 0.920 103.9 55.7 -63.5 -41.3 13.8 47.8 198.9 517 81 C R H ><5S+ 0 0 51 -4,-3.1 3,-0.9 1,-0.3 -1,-0.2 0.850 103.1 56.9 -59.8 -35.2 16.5 46.3 196.5 518 82 C K H 3<5S+ 0 0 119 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.712 117.5 32.1 -69.1 -25.1 19.2 47.4 199.0 519 83 C H T <<5S- 0 0 84 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.129 113.0-108.1-121.1 19.6 17.6 45.4 201.8 520 84 C N T < 5S+ 0 0 101 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.853 72.5 139.1 56.7 41.6 16.0 42.5 199.8 521 85 C L < + 0 0 16 -5,-2.6 69,-2.6 -8,-0.1 2,-0.3 0.004 45.1 88.6-102.8 24.3 12.5 43.7 200.3 522 86 C C S S- 0 0 30 -6,-0.3 7,-0.1 1,-0.2 6,-0.1 -0.767 95.9 -75.8-108.6 160.7 11.4 42.9 196.8 523 87 C G - 0 0 9 -2,-0.3 -1,-0.2 5,-0.2 3,-0.1 -0.044 34.8-164.9 -54.8 163.0 10.1 39.4 196.0 524 88 C E S S+ 0 0 103 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.711 72.0 51.5-112.7 -60.8 12.4 36.4 195.7 525 89 C T S > S- 0 0 80 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.396 93.1-111.4 -74.5 160.3 10.3 33.7 194.0 526 90 C E H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.861 118.5 56.8 -58.9 -35.6 8.5 34.6 190.8 527 91 C E H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.874 106.8 47.4 -66.8 -38.4 5.2 34.3 192.6 528 92 C E H > S+ 0 0 23 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.976 110.9 52.2 -65.3 -50.0 6.2 36.9 195.2 529 93 C K H X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.845 107.5 51.9 -54.2 -42.1 7.5 39.3 192.4 530 94 C I H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.932 111.0 47.0 -61.1 -45.0 4.2 39.1 190.5 531 95 C R H X S+ 0 0 22 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.881 112.1 51.0 -65.2 -38.4 2.2 40.0 193.7 532 96 C V H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.913 112.1 47.4 -62.5 -43.8 4.6 42.8 194.4 533 97 C D H X S+ 0 0 23 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.917 112.6 46.6 -68.1 -46.0 4.2 44.2 190.9 534 98 C I H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 3,-0.5 0.966 118.0 43.1 -59.6 -52.2 0.4 44.0 190.8 535 99 C L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.912 105.4 61.1 -61.4 -48.8 0.1 45.6 194.2 536 100 C E H X S+ 0 0 8 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.843 117.2 33.7 -46.0 -37.6 2.8 48.3 193.6 537 101 C N H X S+ 0 0 14 -4,-1.3 4,-1.8 -3,-0.5 -1,-0.2 0.812 115.9 55.5 -88.2 -34.8 0.5 49.5 190.7 538 102 C Q H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.896 108.4 48.2 -65.8 -41.7 -2.9 48.7 192.2 539 103 C T H X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.926 108.5 53.3 -66.3 -44.4 -2.2 50.7 195.4 540 104 C M H X S+ 0 0 34 -4,-0.8 4,-2.2 -5,-0.4 -1,-0.2 0.903 109.4 51.4 -57.3 -39.4 -1.0 53.7 193.3 541 105 C D H X S+ 0 0 51 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.973 112.0 44.2 -60.3 -56.2 -4.3 53.5 191.4 542 106 C N H X S+ 0 0 7 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.806 111.6 54.8 -61.9 -30.8 -6.4 53.4 194.6 543 107 C H H X S+ 0 0 20 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.918 109.1 46.8 -67.3 -45.3 -4.4 56.2 196.1 544 108 C M H X S+ 0 0 54 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.911 106.2 58.1 -64.2 -43.8 -5.0 58.5 193.1 545 109 C Q H X S+ 0 0 75 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.858 109.5 44.9 -54.7 -40.5 -8.7 57.8 193.0 546 110 C L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 3,-0.3 0.921 111.3 54.3 -67.2 -44.9 -9.0 59.1 196.5 547 111 C G H X S+ 0 0 11 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.900 101.0 60.3 -55.3 -43.6 -6.8 62.1 195.7 548 112 C M H X S+ 0 0 102 -4,-2.7 4,-0.6 1,-0.2 3,-0.4 0.889 109.3 40.0 -54.7 -48.3 -9.0 63.0 192.8 549 113 C I H < S+ 0 0 16 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.771 111.2 57.2 -75.9 -27.5 -12.1 63.6 194.9 550 114 C C H < S+ 0 0 0 -4,-1.6 99,-2.2 1,-0.2 100,-1.2 0.631 112.4 42.0 -77.1 -15.9 -10.3 65.3 197.8 551 115 C Y H < S+ 0 0 96 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.497 94.6 97.1-102.4 -9.5 -8.9 67.9 195.4 552 116 C N S >< S- 0 0 54 -4,-0.6 3,-1.5 -5,-0.2 4,-0.1 -0.693 72.8-137.8 -83.5 133.5 -12.2 68.4 193.5 553 117 C P T > S+ 0 0 112 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.873 104.5 58.4 -55.6 -36.9 -14.3 71.4 194.6 554 118 C E T >> + 0 0 100 1,-0.2 4,-1.8 2,-0.1 3,-1.4 0.039 66.1 132.8 -86.2 29.4 -17.5 69.3 194.4 555 119 C F H <> + 0 0 11 -3,-1.5 4,-3.0 1,-0.3 -1,-0.2 0.894 66.4 61.8 -42.5 -49.2 -16.0 66.8 196.9 556 120 C E H <4 S+ 0 0 146 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.811 106.8 43.0 -48.6 -43.0 -19.3 66.8 198.7 557 121 C K H <> S+ 0 0 136 -3,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.905 117.2 45.4 -70.9 -45.8 -21.2 65.5 195.7 558 122 C L H X S+ 0 0 50 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.847 93.0 79.4 -70.3 -38.2 -18.6 62.8 194.8 559 123 C K H X S+ 0 0 65 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.809 89.2 54.8 -40.0 -52.4 -18.1 61.5 198.3 560 124 C P H > S+ 0 0 67 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.944 108.8 45.9 -49.8 -57.0 -21.3 59.3 198.3 561 125 C K H X S+ 0 0 149 -4,-0.5 4,-2.0 -3,-0.3 3,-0.2 0.876 113.0 51.5 -55.8 -41.3 -20.5 57.4 195.2 562 126 C Y H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.940 109.0 50.0 -61.4 -47.0 -16.9 56.8 196.4 563 127 C L H < S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.732 108.2 55.3 -64.8 -23.6 -18.2 55.5 199.7 564 128 C E H < S+ 0 0 155 -4,-1.5 4,-0.4 -3,-0.2 -1,-0.2 0.905 112.6 39.9 -73.2 -44.4 -20.5 53.1 197.7 565 129 C E H X S+ 0 0 105 -4,-2.0 4,-1.7 1,-0.2 3,-0.4 0.692 97.7 84.0 -77.7 -21.4 -17.6 51.6 195.7 566 130 C L H X S+ 0 0 4 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.885 83.2 53.2 -51.3 -54.2 -15.3 51.5 198.7 567 131 C P H > S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.873 109.2 52.2 -55.1 -32.4 -16.4 48.2 200.3 568 132 C E H > S+ 0 0 98 -3,-0.4 4,-1.3 -4,-0.4 -2,-0.2 0.917 111.1 45.2 -69.2 -43.0 -15.9 46.4 197.0 569 133 C K H X S+ 0 0 36 -4,-1.7 4,-1.1 2,-0.2 3,-0.5 0.944 114.0 49.4 -65.0 -48.4 -12.3 47.7 196.5 570 134 C L H >X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 3,-0.6 0.902 104.8 59.1 -57.8 -42.1 -11.4 46.9 200.1 571 135 C K H 3X S+ 0 0 107 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.857 100.2 56.8 -55.1 -40.2 -12.9 43.4 199.7 572 136 C L H 3X S+ 0 0 34 -4,-1.3 4,-2.0 -3,-0.5 -1,-0.3 0.862 107.2 48.0 -62.5 -36.1 -10.4 42.7 196.9 573 137 C Y H < S+ 0 0 0 -4,-2.3 3,-1.9 -3,-0.2 2,-0.3 0.924 82.2 160.3 -62.8 -50.0 -4.2 38.7 201.5 578 142 C G T 3< S- 0 0 26 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 -0.457 72.8 -26.4 66.1-122.5 -6.3 35.7 202.7 579 143 C K T 3 S+ 0 0 214 -2,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.170 105.4 116.3-109.9 10.7 -4.6 34.0 205.6 580 144 C R < - 0 0 78 -3,-1.9 6,-0.1 1,-0.1 3,-0.1 -0.511 67.6-132.1 -78.5 153.7 -1.0 35.1 204.8 581 145 C P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.756 90.2 23.3 -74.8 -23.3 0.8 37.3 207.2 582 146 C W S S- 0 0 28 3,-1.4 3,-0.5 -5,-0.1 5,-0.1 -0.947 84.0-110.9-141.3 158.1 2.0 39.7 204.5 583 147 C F S S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 5,-0.1 0.738 114.2 45.8 -64.2 -31.6 0.7 40.6 201.0 584 148 C A S S- 0 0 4 3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.688 125.0 -89.2 -83.4 -22.7 3.6 39.0 199.0 585 149 C G S S- 0 0 10 -3,-0.5 -3,-1.4 2,-0.1 -1,-0.2 -0.933 83.8 -14.4 155.2-122.3 3.6 35.8 201.0 586 150 C N S S+ 0 0 134 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 0.594 117.9 65.5 -92.8 -14.8 5.4 34.9 204.2 587 151 C K S S- 0 0 66 -5,-0.1 -3,-0.3 -6,-0.0 -2,-0.1 -0.929 86.0-114.4-116.0 137.9 7.9 37.8 204.2 588 152 C I - 0 0 18 -2,-0.4 2,-0.3 -4,-0.1 -2,-0.1 -0.399 40.6-179.3 -63.8 132.9 7.2 41.4 204.5 589 153 C T >> - 0 0 1 -4,-0.1 3,-1.2 -2,-0.1 4,-0.6 -0.783 45.0 -90.9-122.9 179.0 8.1 43.3 201.3 590 154 C F H >> S+ 0 0 2 -69,-2.6 4,-1.1 1,-0.3 3,-0.7 0.805 117.9 68.8 -63.3 -30.2 7.9 47.0 200.3 591 155 C V H 3> S+ 0 0 0 -70,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.781 88.1 65.2 -61.8 -28.3 4.4 46.6 199.0 592 156 C D H <> S+ 0 0 0 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.930 98.6 53.5 -59.0 -41.3 3.1 46.1 202.5 593 157 C F H X S+ 0 0 12 -4,-3.3 4,-2.1 1,-0.3 3,-0.5 0.933 108.0 54.3 -55.3 -49.7 -4.8 53.7 206.9 601 165 C L H 3X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.3 -1,-0.3 0.850 109.4 47.4 -53.2 -41.9 -5.9 56.5 204.6 602 166 C H H 3X S+ 0 0 3 -4,-1.5 4,-3.4 -3,-0.3 7,-0.3 0.798 107.6 54.5 -75.0 -27.0 -9.3 55.0 204.2 603 167 C R H << S+ 0 0 77 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.862 110.8 47.5 -69.0 -37.5 -9.7 54.4 208.0 604 168 C I H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.910 118.3 42.9 -64.1 -44.9 -9.0 58.1 208.5 605 169 C F H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.930 135.2 11.5 -67.1 -59.4 -11.5 58.9 205.7 606 170 C E S >< S- 0 0 64 -4,-3.4 3,-2.2 -5,-0.1 4,-0.3 -0.810 73.5-159.4-127.0 92.9 -14.3 56.5 206.6 607 171 C P T 3 S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 0.595 86.4 47.3 -48.7 -21.8 -13.6 55.1 210.2 608 172 C K T > S+ 0 0 152 1,-0.1 3,-1.7 2,-0.1 4,-0.5 0.554 80.1 95.4-102.0 -8.9 -15.8 52.0 209.8 609 173 C C T < S+ 0 0 17 -3,-2.2 3,-0.4 -7,-0.3 -1,-0.1 0.801 84.6 51.0 -55.5 -34.8 -14.8 50.6 206.4 610 174 C L T > S+ 0 0 4 -4,-0.3 3,-1.7 1,-0.2 7,-0.4 0.596 87.5 87.4 -79.9 -10.1 -12.2 48.1 207.7 611 175 C D T < S+ 0 0 87 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 83.8 52.3 -56.5 -45.1 -14.7 46.6 210.2 612 176 C A T 3 S+ 0 0 78 -4,-0.5 -1,-0.3 -3,-0.4 3,-0.1 0.385 107.4 59.2 -74.6 5.0 -16.2 44.1 207.8 613 177 C F X> + 0 0 21 -3,-1.7 4,-1.7 1,-0.1 3,-1.2 -0.575 54.3 168.8-134.0 73.3 -12.6 42.8 207.0 614 178 C P H 3> S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.886 79.1 69.9 -53.8 -33.4 -11.0 41.6 210.3 615 179 C N H 3> S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.898 102.8 40.2 -43.0 -52.7 -8.4 40.3 207.9 616 180 C L H <> S+ 0 0 0 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.887 110.7 57.3 -72.2 -40.1 -7.2 43.8 207.1 617 181 C K H X S+ 0 0 78 -4,-1.7 4,-2.2 -7,-0.4 -1,-0.2 0.891 106.0 49.8 -61.9 -39.1 -7.5 45.1 210.6 618 182 C D H X S+ 0 0 94 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.891 108.5 55.5 -65.8 -36.5 -5.1 42.4 211.9 619 183 C F H X S+ 0 0 0 -4,-1.4 4,-2.9 -5,-0.3 -2,-0.2 0.952 106.9 47.3 -58.5 -53.8 -2.7 43.4 209.1 620 184 C I H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.922 114.1 50.1 -52.5 -44.7 -2.7 47.0 210.2 621 185 C S H X S+ 0 0 80 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.903 109.8 48.3 -62.2 -43.9 -2.1 45.8 213.7 622 186 C R H X S+ 0 0 91 -4,-3.0 4,-0.6 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D E H <> S+ 0 0 100 -3,-0.6 4,-1.4 -4,-0.4 -2,-0.2 0.884 110.5 49.0 -67.0 -40.9 9.4 71.0 178.2 787 133 D K H X S+ 0 0 36 -4,-1.6 4,-1.4 1,-0.2 3,-0.4 0.953 113.2 46.6 -62.4 -50.4 8.3 67.4 178.8 788 134 D L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.855 106.3 58.9 -62.8 -36.6 9.8 66.1 175.6 789 135 D K H X S+ 0 0 105 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.880 101.2 56.7 -59.9 -37.8 13.1 68.0 176.3 790 136 D L H X S+ 0 0 34 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.934 108.0 45.9 -58.3 -48.4 13.4 66.0 179.5 791 137 D Y H X S+ 0 0 2 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.901 112.3 53.5 -60.2 -41.5 13.2 62.7 177.6 792 138 D S H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 111.4 42.7 -59.6 -50.9 15.7 64.1 175.1 793 139 D E H < S+ 0 0 141 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.859 113.0 54.3 -66.7 -34.2 18.3 65.1 177.7 794 140 D F H < S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.955 111.8 43.2 -62.7 -51.6 17.8 61.8 179.6 795 141 D L H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.913 84.3 155.4 -61.6 -47.5 18.5 59.7 176.5 796 142 D G T 3< S- 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.313 71.1 -21.7 60.1-127.1 21.4 61.8 175.5 797 143 D K T 3 S+ 0 0 205 -4,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.240 107.0 107.9-101.9 6.7 23.9 59.9 173.3 798 144 D R < - 0 0 81 -3,-1.8 6,-0.1 1,-0.1 3,-0.0 -0.618 69.6-133.2 -83.9 150.1 23.0 56.4 174.4 799 145 D P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.792 88.9 31.5 -73.3 -24.7 21.1 54.2 171.8 800 146 D W B > S-O 803 0G 29 3,-1.4 3,-1.4 -5,-0.1 5,-0.1 -0.964 85.0-113.7-134.5 149.8 18.5 53.0 174.4 801 147 D F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.790 113.3 42.6 -49.8 -44.9 16.9 54.7 177.4 802 148 D A T 3 S- 0 0 3 3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.584 127.0 -85.4 -80.9 -10.4 18.3 52.4 180.2 803 149 D G B < S-O 800 0G 10 -3,-1.4 -3,-1.4 -54,-0.1 -1,-0.2 -0.992 84.9 -12.8 145.2-134.1 21.8 52.3 178.5 804 150 D N S S+ 0 0 135 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 0.593 116.7 56.4 -84.0 -16.2 23.4 50.2 175.8 805 151 D K S S- 0 0 64 -5,-0.1 -3,-0.3 -6,-0.0 -2,-0.1 -0.945 87.4-104.4-122.6 148.0 20.8 47.5 175.6 806 152 D I + 0 0 14 -2,-0.4 2,-0.2 -5,-0.1 -2,-0.1 -0.374 41.5 175.8 -65.0 136.5 17.0 47.5 174.9 807 153 D T >> - 0 0 0 -4,-0.1 3,-0.7 -2,-0.1 4,-0.6 -0.739 48.5 -88.5-127.0-176.3 14.9 46.9 178.0 808 154 D F H >> S+ 0 0 1 -69,-2.6 4,-1.1 -2,-0.2 3,-1.0 0.801 118.6 67.8 -70.8 -28.3 11.1 47.0 178.3 809 155 D V H 3> S+ 0 0 0 -70,-0.3 4,-2.9 1,-0.2 5,-0.2 0.824 88.1 66.8 -60.7 -32.4 11.0 50.7 179.1 810 156 D D H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.888 98.7 53.3 -55.8 -33.0 12.1 51.5 175.5 811 157 D F H < S- 0 0 70 -4,-3.0 3,-2.2 -5,-0.1 4,-0.3 -0.848 74.2-156.9-129.1 95.5 1.0 67.2 167.3 825 171 D P T 3 S+ 0 0 90 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.678 87.2 47.2 -47.4 -30.5 3.1 66.1 164.3 826 172 D K T > S+ 0 0 154 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.547 78.6 100.4 -95.8 -5.0 5.9 68.5 164.7 827 173 D C G X S+ 0 0 20 -3,-2.2 3,-0.6 -7,-0.3 -1,-0.2 0.811 84.5 46.9 -50.2 -39.7 6.6 68.1 168.4 828 174 D L G > S+ 0 0 4 -3,-0.3 3,-2.4 -4,-0.3 7,-0.4 0.660 86.9 89.0 -79.2 -18.6 9.7 65.8 167.9 829 175 D D G < S+ 0 0 88 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.768 83.5 55.8 -49.9 -35.5 11.3 68.0 165.2 830 176 D A G < S+ 0 0 77 -3,-0.6 -1,-0.3 -4,-0.4 3,-0.2 0.648 106.4 58.1 -72.1 -13.8 13.2 70.0 167.8 831 177 D F X> + 0 0 25 -3,-2.4 4,-1.8 1,-0.2 3,-0.9 -0.686 52.7 171.1-124.6 82.7 14.7 66.8 169.1 832 178 D P H 3> S+ 0 0 83 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.879 81.1 69.1 -55.1 -34.3 16.6 64.7 166.5 833 179 D N H 3> S+ 0 0 44 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.896 104.9 38.0 -44.1 -53.2 17.7 62.6 169.5 834 180 D L H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.854 111.5 58.3 -75.1 -37.3 14.1 61.3 169.9 835 181 D K H X S+ 0 0 43 -4,-1.8 4,-2.0 -7,-0.4 -2,-0.2 0.929 108.6 47.1 -59.2 -43.8 13.5 61.1 166.1 836 182 D D H X S+ 0 0 65 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.934 107.7 55.5 -62.6 -50.5 16.5 58.7 165.8 837 183 D F H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.919 107.6 49.8 -46.8 -51.2 15.3 56.6 168.8 838 184 D I H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.918 111.2 49.5 -56.4 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113.9 53.1 -65.1 -41.2 8.8 46.3 161.4 849 195 D A H >< S+ 0 0 66 -4,-2.2 3,-0.7 -5,-0.3 4,-0.2 0.931 114.0 43.3 -57.7 -44.3 7.7 42.8 160.5 850 196 D Y H >< S+ 0 0 5 -4,-2.3 3,-2.0 1,-0.2 6,-0.6 0.915 108.4 58.3 -66.3 -43.4 4.9 43.1 163.0 851 197 D M H 3< S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.641 108.1 48.0 -64.1 -14.8 4.1 46.7 161.9 852 198 D K T << S+ 0 0 152 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.385 97.4 89.4-103.9 -1.1 3.5 45.4 158.4 853 199 D S S < S- 0 0 38 -3,-2.0 3,-0.5 -4,-0.2 -3,-0.0 -0.342 88.7-111.3 -87.9 177.5 1.2 42.5 159.5 854 200 D S S S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.450 112.4 71.8 -85.9 -0.7 -2.6 42.5 159.9 855 201 D R S S+ 0 0 130 -5,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.761 71.7 103.5 -82.0 -29.2 -2.0 42.1 163.6 856 202 D F - 0 0 41 -6,-0.6 -5,-0.0 -3,-0.5 -6,-0.0 -0.380 48.9-175.2 -60.7 123.2 -0.7 45.7 164.0 857 203 D L + 0 0 37 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.714 15.0 163.5-125.4 80.1 -3.3 47.9 165.6 858 204 D P + 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -194,-0.1 0.646 54.2 76.1 -71.7 -15.8 -2.1 51.6 165.7 859 205 D R + 0 0 108 -195,-0.1 2,-0.2 -196,-0.1 11,-0.1 -0.968 52.9 51.5-162.6 163.6 -5.5 53.0 166.3 860 206 D P - 0 0 23 0, 0.0 -196,-2.8 0, 0.0 -195,-0.4 0.498 62.2-162.4 -59.6 147.1 -8.1 53.8 167.7 861 207 D V + 0 0 2 8,-1.7 -196,-1.3 -197,-0.2 2,-0.2 0.869 67.6 14.5 -77.9 -40.2 -5.9 55.4 170.3 862 208 D F S S- 0 0 8 7,-2.1 9,-0.2 1,-0.1 -198,-0.1 -0.732 95.7 -74.9-129.0 175.9 -8.6 55.6 173.0 863 209 D S > - 0 0 16 -2,-0.2 3,-1.5 7,-0.1 -1,-0.1 -0.205 51.9 -95.5 -68.7 167.7 -12.0 54.2 173.7 864 210 D K T 3 S+ 0 0 53 1,-0.3 6,-0.1 6,-0.1 -1,-0.1 0.689 120.9 65.4 -57.0 -21.7 -15.2 55.3 171.8 865 211 D M T 3 S+ 0 0 87 -175,-0.0 2,-0.3 -171,-0.0 -1,-0.3 0.044 80.0 103.4 -92.2 23.3 -16.0 57.6 174.7 866 212 D A < - 0 0 5 -3,-1.5 -97,-0.2 1,-0.1 4,-0.1 -0.802 65.6-145.3-100.4 150.4 -12.9 59.8 174.1 867 213 D V S S+ 0 0 68 -99,-2.5 2,-0.3 -2,-0.3 -98,-0.2 0.687 89.7 32.8 -85.7 -22.1 -13.3 63.2 172.4 868 214 D W S S+ 0 0 53 -100,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.988 122.2 18.8-132.4 144.6 -9.9 62.8 170.6 869 215 D G S S+ 0 0 9 -2,-0.3 -7,-2.1 1,-0.3 -8,-1.7 0.476 92.0 128.4 77.7 1.5 -8.3 59.6 169.4 870 216 D N 0 0 62 -9,-0.2 -1,-0.3 -10,-0.2 -6,-0.1 -0.354 360.0 360.0 -81.9 170.8 -11.6 57.8 169.4 871 217 D K 0 0 123 -9,-0.2 -1,-0.1 -3,-0.1 -8,-0.1 0.157 360.0 360.0 177.6 360.0 -13.1 55.8 166.5