==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT/ANTIBIOTIC 27-SEP-12 4HAW . COMPND 2 MOLECULE: GTP-BINDING NUCLEAR PROTEIN RAN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.SUN,Y.M.CHOOK . 1339 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1022 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 688 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 6 2 4 4 0 1 1 3 0 5 6 3 4 3 3 4 3 3 0 2 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 1 2 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 9 A V 0 0 151 0, 0.0 51,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -19.5 17.2 57.8 45.8 2 10 A Q E -a 52 0A 82 49,-0.1 2,-0.4 41,-0.0 51,-0.2 -0.872 360.0-144.0-138.8 156.0 15.5 54.7 44.2 3 11 A F E -a 53 0A 40 49,-2.9 51,-3.2 -2,-0.3 2,-0.5 -0.956 21.4-129.3-123.2 132.7 13.1 51.8 44.5 4 12 A K E -a 54 0A 22 -2,-0.4 72,-2.6 70,-0.3 73,-1.3 -0.689 28.3-172.7 -80.8 122.8 13.3 48.3 43.1 5 13 A L E -ab 55 77A 1 49,-2.6 51,-3.4 -2,-0.5 2,-0.5 -0.971 8.8-157.2-119.4 126.7 10.1 47.3 41.3 6 14 A V E -ab 56 78A 0 71,-1.9 73,-2.4 -2,-0.5 2,-0.5 -0.896 2.9-158.7-107.3 134.2 9.5 43.8 40.0 7 15 A L E +ab 57 79A 1 49,-2.5 51,-2.0 -2,-0.5 2,-0.3 -0.960 21.0 169.5-113.6 120.9 7.0 43.3 37.2 8 16 A V E + b 0 80A 0 71,-2.5 73,-3.0 -2,-0.5 2,-0.2 -0.901 12.3 108.1-131.8 160.4 5.6 39.8 36.8 9 17 A G E - b 0 81A 0 -2,-0.3 73,-0.1 71,-0.2 3,-0.1 -0.770 63.7 -43.6 148.8 165.3 2.8 38.0 34.9 10 18 A D S > S- 0 0 22 71,-0.6 3,-1.5 79,-0.3 5,-0.3 -0.078 70.9 -84.9 -55.2 152.3 2.1 35.6 32.1 11 19 A G T 3 S+ 0 0 22 49,-0.7 -1,-0.1 1,-0.2 48,-0.1 -0.337 113.3 18.9 -55.9 132.3 3.9 35.8 28.8 12 20 A G T 3 S+ 0 0 22 -3,-0.1 -1,-0.2 20,-0.1 -2,-0.1 0.504 81.8 121.2 86.2 7.3 2.3 38.2 26.4 13 21 A T S < S- 0 0 0 -3,-1.5 69,-0.2 68,-0.1 71,-0.1 0.652 88.6-101.8 -77.4 -16.1 0.3 40.2 29.0 14 22 A G S > S+ 0 0 12 -4,-0.2 4,-2.5 67,-0.1 5,-0.2 0.650 74.7 139.6 106.6 22.7 2.1 43.4 27.9 15 23 A K H > S+ 0 0 12 -5,-0.3 4,-2.2 2,-0.2 5,-0.2 0.947 78.5 39.9 -58.9 -52.8 4.7 43.9 30.7 16 24 A T H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 115.1 52.4 -70.2 -40.4 7.6 45.1 28.4 17 25 A T H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 109.2 51.1 -58.5 -45.1 5.3 47.2 26.2 18 26 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.931 113.0 44.1 -59.8 -47.5 3.9 48.9 29.3 19 27 A V H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 112.7 51.8 -64.7 -44.2 7.4 49.7 30.6 20 28 A K H X>S+ 0 0 63 -4,-2.8 4,-2.9 1,-0.2 5,-0.9 0.896 105.3 56.0 -59.5 -43.6 8.6 50.8 27.1 21 29 A R H X5S+ 0 0 11 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.926 112.0 43.6 -52.9 -46.0 5.7 53.2 26.8 22 30 A H H <5S+ 0 0 4 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.809 116.3 47.2 -69.7 -33.1 6.8 54.8 30.1 23 31 A L H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.920 135.8 1.4 -75.1 -47.0 10.5 54.9 29.1 24 32 A T H <5S- 0 0 31 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.550 90.8-113.6-123.2 -16.9 10.3 56.3 25.6 25 33 A G S < -CD 49 168A 9 3,-1.1 3,-2.0 -2,-0.5 122,-0.2 -0.827 50.6-101.9-129.8 168.9 6.5 64.7 41.8 47 55 A N T 3 S+ 0 0 83 120,-1.9 121,-0.1 1,-0.3 119,-0.1 0.620 125.6 53.1 -67.6 -11.3 5.7 67.5 44.2 48 56 A R T 3 S- 0 0 146 1,-0.4 -1,-0.3 119,-0.3 120,-0.1 0.085 125.4 -96.1-105.9 19.1 7.9 65.7 46.7 49 57 A G E < - C 0 46A 27 -3,-2.0 -3,-1.1 2,-0.1 -1,-0.4 -0.393 66.3 -24.7 97.4-175.7 10.8 65.6 44.3 50 58 A P E - C 0 45A 98 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.489 52.1-162.9 -72.8 138.6 12.1 63.0 41.8 51 59 A I E - C 0 44A 4 -7,-2.7 -7,-2.7 -2,-0.2 2,-0.5 -0.995 5.3-156.9-120.6 130.3 11.3 59.3 42.4 52 60 A K E -aC 2 43A 70 -51,-1.2 -49,-2.9 -2,-0.4 2,-0.5 -0.925 3.8-164.7-110.5 122.4 13.4 56.6 40.6 53 61 A F E -aC 3 42A 0 -11,-3.3 -11,-2.5 -2,-0.5 2,-0.9 -0.927 12.2-150.3 -99.1 128.8 12.1 53.1 40.0 54 62 A N E -aC 4 41A 34 -51,-3.2 -49,-2.6 -2,-0.5 2,-0.6 -0.892 25.7-150.9 -94.0 102.5 14.6 50.5 39.0 55 63 A V E -aC 5 40A 1 -15,-3.0 -15,-2.4 -2,-0.9 2,-1.0 -0.706 15.4-165.1 -88.5 115.6 12.2 48.3 37.0 56 64 A W E -aC 6 39A 8 -51,-3.4 -49,-2.5 -2,-0.6 2,-0.9 -0.843 10.5-165.5 -97.7 92.9 13.0 44.6 36.8 57 65 A D E -aC 7 38A 1 -19,-2.8 -19,-1.9 -2,-1.0 2,-0.2 -0.751 15.9-157.6 -85.6 105.1 10.8 43.5 33.9 58 66 A T E - C 0 37A 3 -51,-2.0 2,-0.3 -2,-0.9 -21,-0.3 -0.470 18.6 -99.9 -92.5 158.2 10.7 39.7 34.2 59 67 A A - 0 0 7 -23,-2.8 -50,-0.2 6,-0.2 -48,-0.1 -0.541 24.0-169.3 -72.9 131.4 10.0 36.9 31.7 60 68 A G + 0 0 14 -2,-0.3 -49,-0.7 -50,-0.1 2,-0.4 0.665 62.6 91.2 -90.9 -24.5 6.5 35.4 31.8 61 69 A Q S > S- 0 0 52 -27,-0.3 3,-1.4 -51,-0.2 4,-0.2 -0.621 74.7-139.1 -74.6 129.0 7.2 32.5 29.6 62 70 A E G > S+ 0 0 133 -2,-0.4 3,-1.4 1,-0.3 4,-0.2 0.883 102.0 55.5 -55.1 -42.9 8.3 29.4 31.6 63 71 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.649 116.1 37.8 -68.9 -14.7 11.0 28.5 29.0 64 72 A F G < S+ 0 0 71 -3,-1.4 -28,-2.5 1,-0.1 -1,-0.3 0.186 81.9 116.5-115.4 15.9 12.6 32.0 29.4 65 73 A G X + 0 0 14 -3,-1.4 3,-2.0 -4,-0.2 -6,-0.2 0.680 45.3 178.9 -63.2 -24.2 12.0 32.4 33.1 66 74 A G T 3 - 0 0 11 1,-0.3 -1,-0.2 -4,-0.2 3,-0.1 -0.328 69.3 -3.0 62.3-127.7 15.7 32.6 34.0 67 75 A L T > S- 0 0 1 1,-0.2 3,-2.7 -2,-0.1 -1,-0.3 0.526 88.5-173.6 -75.7 -7.3 16.3 33.0 37.8 68 76 A R G X S+ 0 0 73 -3,-2.0 3,-2.2 1,-0.3 4,-0.3 -0.223 72.3 12.4 54.8-119.1 12.6 33.3 38.3 69 77 A D G >> S+ 0 0 24 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.717 114.1 80.7 -64.7 -19.3 11.9 34.2 42.0 70 78 A G G X4 S+ 0 0 1 -3,-2.7 3,-0.5 1,-0.3 -1,-0.3 0.755 85.8 61.1 -52.6 -26.9 15.6 35.0 42.3 71 79 A Y G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.740 93.4 63.2 -72.1 -22.0 14.6 38.3 40.6 72 80 A Y G X4 + 0 0 5 -3,-1.9 3,-2.7 -4,-0.3 -1,-0.2 0.674 69.9 125.5 -81.8 -16.6 12.3 39.3 43.5 73 81 A I T << S- 0 0 2 -3,-0.5 31,-0.1 -4,-0.5 -3,-0.0 -0.172 87.2 -3.3 -53.3 123.3 15.0 39.5 46.1 74 82 A Q T 3 S+ 0 0 109 29,-0.3 -70,-0.3 1,-0.2 -1,-0.3 0.571 87.4 159.5 63.4 16.5 14.9 42.9 47.8 75 83 A A < - 0 0 9 -3,-2.7 -1,-0.2 1,-0.1 -70,-0.2 -0.402 27.2-163.3 -54.0 138.8 12.1 44.2 45.6 76 84 A Q S S+ 0 0 83 -72,-2.6 2,-0.3 1,-0.3 -71,-0.2 0.486 70.3 2.3-105.6 -10.3 10.4 47.2 47.4 77 85 A C E -b 5 0A 0 -73,-1.3 -71,-1.9 30,-0.2 2,-0.3 -0.964 67.4-157.0-164.0 171.1 7.3 47.1 45.3 78 86 A A E -be 6 109A 0 30,-1.6 32,-2.2 -2,-0.3 2,-0.4 -0.997 15.2-146.4-157.3 155.9 5.7 45.2 42.4 79 87 A I E -be 7 110A 1 -73,-2.4 -71,-2.5 -2,-0.3 2,-0.5 -0.999 13.7-160.8-122.5 128.0 3.2 45.1 39.5 80 88 A I E -be 8 111A 0 30,-2.6 32,-3.1 -2,-0.4 2,-0.3 -0.969 18.7-159.5-106.2 123.9 1.4 41.9 38.7 81 89 A M E +be 9 112A 1 -73,-3.0 -71,-0.6 -2,-0.5 2,-0.3 -0.799 17.6 168.2-108.6 142.6 0.0 42.0 35.1 82 90 A F E - e 0 113A 0 30,-2.5 32,-3.1 -2,-0.3 2,-0.5 -0.897 32.5-117.8-139.1 177.3 -2.7 40.1 33.3 83 91 A D E > - e 0 114A 12 3,-0.5 3,-2.0 -2,-0.3 7,-0.3 -0.971 9.7-151.7-120.9 117.7 -4.6 40.4 30.0 84 92 A V T 3 S+ 0 0 0 30,-2.5 39,-3.1 -2,-0.5 38,-2.3 0.577 98.1 58.8 -70.7 -8.1 -8.3 41.0 30.2 85 93 A T T 3 S+ 0 0 25 29,-0.2 2,-0.4 36,-0.2 -1,-0.3 0.345 103.0 59.0 -95.9 1.6 -8.7 39.2 26.8 86 94 A S X> - 0 0 24 -3,-2.0 4,-0.9 1,-0.1 3,-0.9 -0.871 61.0-169.2-138.1 105.7 -7.1 36.0 28.2 87 95 A R H 3> S+ 0 0 158 -2,-0.4 4,-2.6 1,-0.3 3,-0.4 0.825 86.5 63.5 -62.8 -36.1 -8.7 34.3 31.1 88 96 A V H 3> S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.859 98.2 57.5 -56.6 -35.0 -5.8 31.9 31.7 89 97 A T H <4 S+ 0 0 7 -3,-0.9 4,-0.3 -6,-0.2 -79,-0.3 0.881 109.3 43.7 -68.4 -35.4 -3.7 35.0 32.5 90 98 A Y H >< S+ 0 0 41 -4,-0.9 3,-1.2 -3,-0.4 -2,-0.2 0.881 109.2 57.7 -71.5 -40.3 -6.1 36.0 35.3 91 99 A K H 3< S+ 0 0 97 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.818 106.2 50.9 -54.6 -34.0 -6.2 32.4 36.5 92 100 A N T >X S+ 0 0 27 -4,-1.6 4,-2.0 1,-0.2 3,-0.6 0.530 82.9 93.0 -85.6 -7.9 -2.4 32.5 36.9 93 101 A V H <> S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.3 5,-0.2 0.890 82.6 53.4 -54.1 -44.5 -2.4 35.7 39.0 94 102 A P H 3> S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.848 107.5 53.2 -62.1 -30.0 -2.5 33.8 42.3 95 103 A N H <> S+ 0 0 25 -3,-0.6 4,-2.3 -4,-0.2 -2,-0.2 0.935 111.2 44.2 -67.5 -46.5 0.5 31.8 41.2 96 104 A W H X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 115.2 49.7 -62.3 -44.4 2.6 34.9 40.4 97 105 A H H X S+ 0 0 18 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.939 109.5 51.2 -60.0 -50.4 1.4 36.5 43.7 98 106 A R H X S+ 0 0 29 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.921 112.3 45.6 -49.1 -53.2 2.3 33.4 45.7 99 107 A D H X S+ 0 0 51 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.865 116.1 47.9 -64.1 -35.4 5.8 33.2 44.2 100 108 A L H >X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 3,-0.9 0.937 110.9 45.7 -71.5 -49.9 6.3 37.0 44.8 101 109 A V H 3< S+ 0 0 41 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.759 102.0 66.7 -75.3 -22.8 5.1 37.3 48.4 102 110 A R H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -5,-0.3 3,-0.2 0.842 117.3 27.4 -58.4 -32.7 7.1 34.3 49.5 103 111 A V H << S+ 0 0 10 -3,-0.9 2,-0.7 -4,-0.6 -29,-0.3 0.809 129.5 41.7 -95.6 -39.0 10.2 36.4 48.7 104 112 A C < + 0 0 7 -4,-3.0 3,-0.5 1,-0.1 -1,-0.2 -0.829 69.4 177.6-116.4 90.2 8.8 39.9 49.3 105 113 A E S S+ 0 0 113 -2,-0.7 -1,-0.1 1,-0.2 2,-0.1 0.723 70.7 20.1 -76.7 -25.3 6.6 39.6 52.4 106 114 A N S S+ 0 0 139 2,-0.1 -1,-0.2 -29,-0.0 -5,-0.0 -0.523 83.9 124.9-148.0 73.4 5.4 43.2 52.9 107 115 A I - 0 0 31 -3,-0.5 2,-0.3 -2,-0.1 -30,-0.2 -0.932 63.7 -99.2-127.2 152.6 5.6 45.4 49.8 108 116 A P - 0 0 27 0, 0.0 -30,-1.6 0, 0.0 2,-0.4 -0.576 44.3-171.3 -71.9 134.0 3.0 47.5 48.0 109 117 A I E -e 78 0A 9 26,-0.3 28,-2.1 -2,-0.3 2,-0.5 -0.992 13.8-157.3-131.7 133.6 1.7 45.6 45.0 110 118 A V E -ef 79 137A 0 -32,-2.2 -30,-2.6 -2,-0.4 2,-0.5 -0.951 9.1-149.9-110.2 129.3 -0.6 46.8 42.1 111 119 A L E -ef 80 138A 0 26,-3.5 28,-1.9 -2,-0.5 2,-0.5 -0.875 18.5-163.7 -95.0 128.6 -2.6 44.2 40.1 112 120 A C E -ef 81 139A 0 -32,-3.1 -30,-2.5 -2,-0.5 2,-0.9 -0.967 17.9-157.6-123.8 124.2 -3.1 45.4 36.5 113 121 A G E -ef 82 140A 0 26,-2.2 28,-2.9 -2,-0.5 3,-0.3 -0.841 29.4-164.7 -94.9 102.1 -5.6 44.2 33.9 114 122 A N E +e 83 0A 6 -32,-3.1 -30,-2.5 -2,-0.9 -29,-0.2 -0.244 54.5 42.8 -85.9 168.9 -4.1 45.2 30.6 115 123 A K > + 0 0 58 -32,-0.2 3,-1.7 -31,-0.1 27,-0.2 0.738 54.5 149.0 70.0 31.4 -5.4 45.4 27.0 116 124 A V T 3 + 0 0 21 25,-1.7 26,-0.2 -3,-0.3 5,-0.1 0.629 62.6 76.0 -69.8 -11.4 -8.8 47.0 27.9 117 125 A D T 3 S+ 0 0 62 24,-0.2 2,-0.3 30,-0.1 -1,-0.3 0.730 74.1 97.1 -63.3 -26.2 -8.6 48.7 24.5 118 126 A I S < S- 0 0 69 -3,-1.7 3,-0.1 1,-0.1 -34,-0.0 -0.542 73.5-142.1 -74.1 127.3 -9.6 45.4 22.9 119 127 A K S S+ 0 0 206 -2,-0.3 2,-1.9 1,-0.2 -1,-0.1 0.919 88.7 62.7 -54.6 -54.2 -13.3 45.2 22.1 120 128 A D S S- 0 0 94 -35,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.499 74.3-172.4 -83.0 78.1 -13.9 41.6 23.0 121 129 A R - 0 0 66 -2,-1.9 -36,-0.2 1,-0.1 3,-0.1 -0.521 11.1-178.5 -72.7 134.4 -13.0 41.6 26.8 122 130 A K + 0 0 61 -38,-2.3 2,-1.1 -2,-0.2 -37,-0.2 0.777 66.5 67.4-107.2 -38.4 -13.0 38.1 28.3 123 131 A V S S- 0 0 1 -39,-3.1 -1,-0.2 3,-0.0 5,-0.1 -0.779 86.9-138.5 -87.6 99.8 -12.1 38.7 32.0 124 132 A K >> - 0 0 120 -2,-1.1 3,-1.7 1,-0.1 4,-0.7 -0.297 11.5-123.2 -61.9 140.1 -15.3 40.5 33.2 125 133 A A G >4 S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.878 113.2 57.1 -48.4 -44.0 -14.9 43.5 35.5 126 134 A K G 34 S+ 0 0 103 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.737 100.7 58.9 -62.4 -25.8 -17.1 41.7 38.1 127 135 A S G <4 S+ 0 0 52 -3,-1.7 2,-1.1 1,-0.1 -1,-0.2 0.664 79.7 95.5 -76.0 -20.8 -14.8 38.7 38.1 128 136 A I << + 0 0 7 -3,-1.2 -1,-0.1 -4,-0.7 -15,-0.0 -0.638 40.5 119.8 -85.0 98.6 -11.7 40.6 39.2 129 137 A V >> + 0 0 62 -2,-1.1 3,-1.7 2,-0.1 4,-0.5 0.392 33.5 103.0-136.7 -3.8 -11.6 40.2 43.0 130 138 A F H 3> S+ 0 0 43 1,-0.3 4,-0.7 -3,-0.2 3,-0.2 0.819 78.8 61.7 -55.4 -33.7 -8.3 38.4 43.9 131 139 A H H 3>>S+ 0 0 2 1,-0.2 5,-2.0 2,-0.1 4,-0.8 0.751 87.7 74.7 -64.3 -24.3 -6.8 41.7 45.0 132 140 A R H X45S+ 0 0 46 -3,-1.7 3,-0.9 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-1,-0.2 0.909 111.6 48.4 -65.5 -41.0 -27.2 60.9 37.8 807 511 C A H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.923 110.1 52.2 -64.8 -42.9 -28.8 59.3 40.9 808 512 C I H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.914 112.4 44.8 -60.8 -45.3 -32.2 60.7 39.8 809 513 C G H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.884 107.1 61.1 -63.9 -37.0 -31.9 59.3 36.3 810 514 C S H 3< S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.667 96.3 58.5 -71.4 -19.4 -30.7 56.0 37.7 811 515 C I T X< S+ 0 0 1 -4,-1.0 3,-2.2 -3,-0.6 4,-0.3 0.333 71.4 139.2 -93.0 8.3 -33.9 55.2 39.7 812 516 C S T < + 0 0 38 -3,-1.4 46,-0.1 1,-0.2 -3,-0.0 -0.296 67.1 31.1 -54.2 130.0 -36.2 55.4 36.6 813 517 C G T 3 S+ 0 0 56 2,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.122 94.7 93.2 105.9 -15.7 -38.8 52.6 36.9 814 518 C T S < S+ 0 0 30 -3,-2.2 2,-0.2 2,-0.1 -2,-0.1 0.699 76.6 63.4 -85.3 -21.6 -38.9 52.5 40.7 815 519 C M S S- 0 0 11 -4,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.612 90.7 -99.5-100.3 161.2 -41.8 54.9 41.1 816 520 C S > - 0 0 63 -2,-0.2 4,-3.5 1,-0.1 5,-0.3 -0.437 40.5-108.9 -68.1 154.8 -45.5 54.7 40.1 817 521 C E H > S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.919 120.2 50.0 -54.0 -42.9 -46.3 56.6 36.9 818 522 C D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 114.1 41.8 -63.7 -46.4 -48.2 59.2 39.0 819 523 C T H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.915 115.6 51.5 -66.3 -45.1 -45.4 59.7 41.5 820 524 C E H X S+ 0 0 2 -4,-3.5 4,-3.7 2,-0.2 5,-0.4 0.921 106.5 56.0 -54.6 -47.3 -42.9 59.7 38.7 821 525 C K H X S+ 0 0 84 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.2 0.953 113.8 37.8 -50.0 -57.5 -45.0 62.3 36.9 822 526 C R H X S+ 0 0 136 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 119.2 49.3 -63.4 -45.8 -44.9 64.8 39.8 823 527 C F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.943 112.1 45.9 -59.6 -52.4 -41.3 64.0 40.7 824 528 C V H X S+ 0 0 5 -4,-3.7 4,-2.8 1,-0.2 5,-0.2 0.923 111.9 53.4 -60.7 -44.1 -39.9 64.3 37.1 825 529 C V H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.940 110.6 46.3 -52.7 -51.0 -41.9 67.6 36.7 826 530 C T H X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 113.4 49.1 -60.3 -45.4 -40.3 69.0 39.9 827 531 C V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 111.4 48.3 -62.5 -43.7 -36.8 67.9 38.9 828 532 C I H X S+ 0 0 12 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.916 110.6 50.5 -67.6 -43.4 -37.0 69.4 35.4 829 533 C K H X S+ 0 0 127 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.940 112.4 48.1 -57.1 -47.6 -38.3 72.8 36.6 830 534 C D H X S+ 0 0 31 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.909 111.9 48.0 -62.1 -44.3 -35.5 72.9 39.2 831 535 C L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.910 112.7 49.8 -62.9 -41.4 -32.9 72.0 36.6 832 536 C L H X S+ 0 0 93 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.934 112.3 47.5 -61.0 -46.1 -34.4 74.7 34.2 833 537 C D H X S+ 0 0 73 -4,-3.0 4,-2.1 1,-0.2 3,-0.2 0.940 109.7 53.7 -56.6 -49.0 -34.3 77.2 37.0 834 538 C L H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.869 106.0 53.0 -55.1 -40.1 -30.7 76.2 37.8 835 539 C C H < S+ 0 0 40 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.882 107.9 50.6 -64.8 -39.5 -29.7 76.8 34.2 836 540 C V H < S+ 0 0 85 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.912 115.7 42.0 -62.5 -43.6 -31.2 80.4 34.3 837 541 C K H < S+ 0 0 113 -4,-2.1 2,-0.8 1,-0.2 -2,-0.2 0.774 109.5 59.3 -78.2 -29.1 -29.2 81.2 37.5 838 542 C K S < S+ 0 0 62 -4,-2.1 -1,-0.2 -5,-0.2 9,-0.1 -0.804 74.2 177.0-110.5 93.4 -25.9 79.6 36.5 839 543 C R + 0 0 169 -2,-0.8 4,-0.3 -3,-0.1 3,-0.1 -0.280 28.6 75.8 -94.3 173.5 -24.6 81.2 33.3 840 544 C G S > S- 0 0 49 3,-0.1 4,-2.7 2,-0.1 5,-0.2 0.018 86.8 -84.5 98.5 152.6 -21.4 80.8 31.3 841 545 C K H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.788 126.1 50.8 -64.5 -30.2 -20.5 78.0 28.9 842 546 C D H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 115.0 41.4 -71.9 -49.1 -19.1 75.7 31.7 843 547 C N H > S+ 0 0 33 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.894 115.8 51.3 -62.2 -42.4 -22.2 76.0 33.9 844 548 C A H X S+ 0 0 40 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 109.5 49.7 -62.7 -44.1 -24.5 75.7 30.8 845 549 C A H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.896 112.0 48.1 -62.8 -43.0 -22.7 72.6 29.6 846 550 C V H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.953 115.1 43.6 -61.4 -52.3 -23.0 70.9 33.0 847 551 C V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.897 114.4 50.8 -65.4 -39.3 -26.7 71.7 33.5 848 552 C A H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.907 109.1 50.9 -63.5 -42.5 -27.4 70.7 29.9 849 553 C S H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.873 111.9 48.4 -61.5 -37.5 -25.6 67.3 30.3 850 554 C D H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 111.6 47.4 -73.1 -40.7 -27.6 66.6 33.4 851 555 C I H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.913 111.9 51.2 -66.4 -42.5 -31.0 67.5 31.9 852 556 C M H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.909 110.4 50.0 -60.1 -41.7 -30.2 65.4 28.8 853 557 C Y H X S+ 0 0 2 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.950 113.3 44.6 -61.2 -50.4 -29.3 62.5 31.1 854 558 C V H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.7 0.943 114.4 46.9 -62.7 -49.6 -32.6 62.7 33.2 855 559 C V H >< S+ 0 0 8 -4,-2.8 3,-1.0 1,-0.3 7,-0.2 0.898 110.9 52.7 -63.9 -39.3 -35.0 63.1 30.2 856 560 C G H 3< S+ 0 0 6 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.769 106.8 55.1 -64.4 -24.6 -33.3 60.2 28.3 857 561 C Q H << S+ 0 0 34 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.599 103.1 56.7 -83.9 -12.8 -33.8 58.0 31.4 858 562 C Y S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.821 71.8 65.0 -63.6 -29.7 -39.2 57.6 28.3 860 564 C R H > S+ 0 0 86 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.940 106.1 44.0 -54.2 -47.8 -42.4 56.5 30.1 861 565 C F H >> S+ 0 0 10 -3,-0.4 3,-1.1 1,-0.2 4,-0.8 0.927 111.4 53.3 -59.8 -48.8 -42.9 60.2 31.1 862 566 C L H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.3 7,-0.4 0.897 104.8 55.3 -56.0 -43.9 -42.0 61.4 27.6 863 567 C K H 3< S+ 0 0 99 -4,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.728 111.1 45.0 -60.9 -25.0 -44.6 59.0 26.0 864 568 C A H << S+ 0 0 57 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.539 111.5 54.2 -95.7 -9.2 -47.3 60.6 28.2 865 569 C H S+ 0 0 28 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.903 77.9 51.8 -58.2 -51.3 -46.2 64.9 23.9 867 571 C N H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 114.4 45.8 -50.4 -47.6 -45.8 68.7 24.1 868 572 C F H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 112.7 49.9 -62.1 -47.2 -42.9 68.2 26.5 869 573 C L H X S+ 0 0 0 -4,-2.9 4,-2.6 -7,-0.4 -2,-0.2 0.942 111.1 48.9 -57.3 -50.1 -41.4 65.4 24.3 870 574 C R H X S+ 0 0 61 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.909 112.8 47.4 -56.4 -46.5 -41.6 67.6 21.1 871 575 C T H X S+ 0 0 76 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.866 109.7 53.7 -67.5 -37.1 -40.0 70.6 22.8 872 576 C V H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.960 110.0 47.2 -58.9 -51.0 -37.2 68.4 24.2 873 577 C I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 110.0 52.4 -59.9 -43.1 -36.4 67.1 20.7 874 578 C L H X S+ 0 0 79 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.876 109.5 50.1 -61.8 -36.3 -36.4 70.6 19.3 875 579 C K H X S+ 0 0 100 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.879 107.1 53.5 -68.5 -39.1 -34.0 71.7 22.0 876 580 C L H X S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.906 106.8 53.4 -59.4 -40.6 -31.7 68.7 21.2 877 581 C F H < S+ 0 0 19 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.892 105.8 52.8 -62.5 -40.2 -31.8 70.0 17.6 878 582 C E H >< S+ 0 0 113 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.938 105.9 54.3 -58.0 -45.3 -30.6 73.4 18.9 879 583 C F H >< S+ 0 0 34 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.731 91.2 72.9 -63.7 -22.6 -27.7 71.6 20.7 880 584 C M T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.628 98.7 49.5 -66.8 -10.5 -26.7 70.1 17.4 881 585 C H T < S+ 0 0 82 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.266 85.8 128.3-103.9 7.1 -25.6 73.6 16.5 882 586 C E < - 0 0 73 -3,-1.9 6,-0.1 1,-0.1 -3,-0.0 -0.387 55.8-149.4 -67.1 137.6 -23.6 74.0 19.8 883 587 C T S S+ 0 0 136 -2,-0.1 2,-0.9 5,-0.0 -1,-0.1 0.699 84.0 89.5 -76.0 -21.1 -20.0 75.1 19.6 884 588 C H S > S- 0 0 22 1,-0.2 4,-2.2 -5,-0.1 5,-0.1 -0.722 70.4-160.5 -75.0 110.7 -19.5 73.0 22.7 885 589 C E H > S+ 0 0 106 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.760 84.8 55.6 -69.2 -28.2 -18.7 69.7 21.1 886 590 C G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 110.8 43.2 -68.0 -49.6 -19.5 67.7 24.2 887 591 C V H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 115.0 51.8 -60.0 -44.3 -23.1 69.1 24.5 888 592 C Q H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.922 112.0 44.4 -59.1 -48.4 -23.5 68.7 20.7 889 593 C D H X S+ 0 0 27 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 112.4 52.2 -67.3 -41.4 -22.4 65.0 20.7 890 594 C M H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.840 103.9 58.3 -62.8 -33.5 -24.5 64.2 23.8 891 595 C A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.887 106.6 48.6 -63.9 -39.6 -27.6 65.8 22.1 892 596 C C H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.917 113.9 44.8 -65.2 -47.0 -27.2 63.3 19.2 893 597 C D H X S+ 0 0 66 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.895 113.7 50.3 -64.5 -42.0 -26.9 60.3 21.5 894 598 C T H X S+ 0 0 8 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.906 107.2 55.6 -63.5 -41.1 -29.8 61.5 23.6 895 599 C F H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.959 112.7 40.0 -55.0 -53.9 -31.9 61.9 20.5 896 600 C I H X S+ 0 0 16 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.877 112.9 55.9 -68.2 -35.2 -31.4 58.3 19.4 897 601 C K H X S+ 0 0 43 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.931 112.1 43.2 -59.9 -45.6 -31.7 57.0 23.0 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737 C S H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.892 109.3 50.6 -63.3 -43.0 -9.5 49.7 -10.9 1030 738 C M H X S+ 0 0 49 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.907 111.3 48.4 -60.7 -45.1 -8.3 53.0 -9.5 1031 739 C I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.947 112.8 47.6 -60.4 -50.7 -6.7 51.3 -6.5 1032 740 C S H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.932 112.5 50.0 -56.1 -47.8 -5.0 48.7 -8.7 1033 741 C A H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.891 110.4 49.9 -56.9 -44.8 -3.7 51.5 -11.1 1034 742 C Q H X S+ 0 0 56 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.903 110.8 48.1 -64.4 -44.3 -2.3 53.5 -8.2 1035 743 C V H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 112.5 50.4 -60.6 -45.2 -0.4 50.5 -6.7 1036 744 C A H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 118.5 37.6 -57.8 -41.7 0.9 49.7 -10.2 1037 745 C A H < S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.767 131.7 23.7 -85.8 -29.9 2.1 53.3 -10.7 1038 746 C E H < S- 0 0 98 -4,-2.6 3,-0.2 1,-0.2 -3,-0.2 0.613 103.9-118.3-113.7 -17.4 3.4 54.1 -7.2 1039 747 C G >< - 0 0 31 -4,-2.3 3,-1.9 -5,-0.4 4,-0.3 -0.374 50.1 -50.7 99.8 175.4 4.2 50.8 -5.5 1040 748 C L G > S+ 0 0 87 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.805 126.6 73.8 -55.8 -30.6 2.8 49.0 -2.5 1041 749 C I G >> S+ 0 0 63 1,-0.3 3,-2.2 -3,-0.2 4,-0.6 0.783 78.2 78.1 -56.2 -27.4 3.3 52.3 -0.5 1042 750 C A G X4 S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.3 6,-0.5 0.834 81.9 65.3 -45.8 -39.0 0.3 53.6 -2.4 1043 751 C T G <4 S+ 0 0 11 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.679 99.1 52.7 -65.0 -17.4 -2.0 51.6 -0.0 1044 752 C K G <4 S+ 0 0 100 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.641 88.5 104.4 -89.3 -16.1 -0.8 53.9 2.8 1045 753 C T S S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.880 112.1 56.1 -53.1 -41.3 -4.8 59.1 1.9 1047 755 C K H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.951 111.9 39.4 -55.6 -54.2 -6.1 58.7 -1.6 1048 756 C V H > S+ 0 0 0 -6,-0.5 4,-2.8 2,-0.2 5,-0.2 0.882 113.1 55.1 -69.4 -37.6 -6.0 54.9 -1.7 1049 757 C R H X S+ 0 0 61 -4,-2.6 4,-1.9 -7,-0.2 -1,-0.2 0.904 109.0 49.9 -61.5 -38.1 -7.2 54.6 1.9 1050 758 C G H X S+ 0 0 19 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.877 110.1 49.0 -65.5 -40.5 -10.2 56.7 0.8 1051 759 C L H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.918 111.5 49.3 -66.7 -41.0 -10.9 54.5 -2.2 1052 760 C R H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.848 103.7 60.4 -68.2 -31.8 -10.7 51.4 0.0 1053 761 C T H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.920 102.8 52.6 -58.0 -43.0 -13.1 53.0 2.5 1054 762 C I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.942 111.6 45.5 -56.6 -48.8 -15.7 53.1 -0.3 1055 763 C K H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.942 113.7 49.1 -62.5 -47.3 -15.1 49.4 -1.0 1056 764 C K H X S+ 0 0 61 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.882 111.6 48.6 -58.9 -41.6 -15.3 48.5 2.7 1057 765 C E H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.867 109.3 52.4 -72.0 -35.2 -18.5 50.5 3.2 1058 766 C I H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.944 111.7 46.9 -61.1 -47.9 -20.2 48.9 0.2 1059 767 C L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 112.1 50.7 -60.9 -39.0 -19.3 45.4 1.6 1060 768 C K H X S+ 0 0 107 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.872 108.6 52.1 -67.1 -39.7 -20.6 46.5 5.0 1061 769 C L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 113.5 42.8 -60.1 -49.0 -23.9 47.7 3.5 1062 770 C V H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.907 115.4 49.4 -66.4 -43.7 -24.5 44.5 1.7 1063 771 C E H X S+ 0 0 38 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.935 111.2 50.4 -58.0 -47.4 -23.5 42.4 4.8 1064 772 C T H X S+ 0 0 12 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.930 113.4 44.5 -61.4 -47.0 -25.7 44.5 7.0 1065 773 C Y H >X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 3,-1.0 0.947 114.5 47.6 -62.4 -50.2 -28.7 44.0 4.7 1066 774 C I H 3< S+ 0 0 1 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.878 106.0 58.7 -64.1 -35.5 -28.2 40.3 4.1 1067 775 C S H 3< S+ 0 0 37 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.785 119.1 31.1 -60.3 -26.5 -27.7 39.6 7.9 1068 776 C K H << S+ 0 0 91 -3,-1.0 -61,-0.5 -4,-0.9 -2,-0.2 0.501 88.4 127.3-110.4 -8.7 -31.2 41.1 8.4 1069 777 C A < - 0 0 15 -4,-1.5 3,-0.1 -3,-0.2 -62,-0.1 -0.173 34.9-173.1 -56.0 138.7 -33.1 40.1 5.2 1070 778 C R S S+ 0 0 219 1,-0.2 2,-1.1 -63,-0.1 3,-0.1 0.704 76.1 66.8 -99.5 -29.4 -36.4 38.3 5.6 1071 779 C N > + 0 0 72 1,-0.2 4,-1.5 -64,-0.1 3,-0.3 -0.712 57.8 170.1 -94.5 89.2 -36.9 37.6 1.8 1072 780 C L H > S+ 0 0 50 -2,-1.1 4,-2.2 1,-0.2 5,-0.2 0.740 71.6 65.7 -72.6 -24.9 -34.0 35.1 1.1 1073 781 C D H > S+ 0 0 109 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.926 104.1 45.8 -62.1 -44.8 -35.3 34.3 -2.4 1074 782 C D H >>S+ 0 0 52 -3,-0.3 4,-3.1 2,-0.2 5,-1.2 0.896 109.2 56.0 -63.2 -42.1 -34.7 38.0 -3.5 1075 783 C V H X>S+ 0 0 0 -4,-1.5 5,-2.3 3,-0.2 4,-0.7 0.949 116.2 36.6 -51.7 -51.3 -31.2 37.8 -1.8 1076 784 C V H <>S+ 0 0 39 -4,-2.2 5,-0.6 3,-0.2 -2,-0.2 0.918 123.9 40.9 -69.8 -43.5 -30.3 34.8 -3.9 1077 785 C K H <5S+ 0 0 156 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.813 132.3 17.0 -81.4 -30.5 -32.1 35.8 -7.1 1078 786 C V H <5S+ 0 0 28 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.808 129.2 33.1-110.0 -43.8 -31.2 39.5 -7.2 1079 787 C L T X S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.891 113.1 51.4 -62.3 -34.5 -23.9 40.5 -9.0 1083 791 C L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.957 111.6 44.6 -63.5 -51.5 -22.1 40.6 -5.7 1084 792 C L H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 5,-0.5 0.914 112.5 52.8 -61.6 -43.8 -19.9 37.6 -6.3 1085 793 C N H < S+ 0 0 82 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.888 114.2 43.3 -55.1 -43.4 -19.2 38.9 -9.9 1086 794 C A H < S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.827 126.2 25.8 -74.6 -34.5 -18.1 42.3 -8.4 1087 795 C V H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.1 -3,-0.2 0.793 106.8 61.9-105.9 -32.3 -16.0 41.1 -5.4 1088 796 C L H X S+ 0 0 4 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.947 106.8 38.5 -73.6 -52.6 -14.5 37.6 -5.8 1089 797 C E H > S+ 0 0 127 -5,-0.5 4,-3.0 -4,-0.3 -1,-0.2 0.879 115.4 56.1 -66.0 -38.9 -12.1 37.9 -8.9 1090 798 C D H > S+ 0 0 32 -5,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.907 110.5 44.2 -56.3 -44.6 -11.1 41.4 -7.7 1091 799 C Y H >< S+ 0 0 2 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.976 116.3 46.8 -64.3 -54.0 -10.0 39.9 -4.3 1092 800 C M H 3< S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.7 46.1 -54.9 -42.6 -8.3 36.9 -6.0 1093 801 C N H 3< S+ 0 0 106 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 0.366 93.3 91.6 -95.1 5.6 -6.4 39.0 -8.6 1094 802 C N S << S- 0 0 14 -3,-1.2 5,-0.1 -4,-0.6 -62,-0.0 -0.653 87.0 -99.3 -87.8 152.3 -5.1 41.8 -6.3 1095 803 C V >> - 0 0 66 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.360 43.8-102.0 -62.0 151.0 -1.7 41.7 -4.6 1096 804 C P G >4 S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.866 120.3 55.4 -46.3 -45.7 -2.0 40.6 -1.0 1097 805 C D G 34 S+ 0 0 49 1,-0.3 -2,-0.0 3,-0.0 47,-0.0 0.640 107.5 50.9 -67.6 -13.6 -1.6 44.1 0.5 1098 806 C A G <4 S+ 0 0 2 -3,-1.9 2,-0.4 -7,-0.1 -1,-0.3 0.445 85.0 106.8-102.5 -2.8 -4.5 45.4 -1.6 1099 807 C R << - 0 0 23 -3,-1.4 2,-0.6 -4,-0.5 48,-0.1 -0.643 65.9-135.1 -81.6 131.9 -7.0 42.7 -0.6 1100 808 C D >> - 0 0 5 -2,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.766 4.1-153.1 -90.3 120.0 -9.8 43.7 1.8 1101 809 C A H >> S+ 0 0 5 -2,-0.6 4,-1.6 1,-0.3 3,-0.7 0.765 93.2 74.6 -57.0 -25.9 -10.4 41.3 4.8 1102 810 C E H 3> S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.704 83.0 65.8 -61.8 -23.6 -14.0 42.7 4.7 1103 811 C V H <> S+ 0 0 1 -3,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.936 102.9 46.4 -62.6 -43.6 -14.6 40.6 1.5 1104 812 C L H S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.6 0.960 113.8 41.5 -55.8 -50.9 -23.8 35.3 2.6 1111 819 C V H X5S+ 0 0 0 -4,-2.6 4,-1.9 3,-0.2 5,-0.4 0.934 114.2 53.1 -64.7 -45.4 -22.9 31.7 3.3 1112 820 C E H <5S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.910 119.8 32.3 -54.4 -46.0 -24.5 31.8 6.8 1113 821 C K H <5S+ 0 0 78 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.889 141.6 6.3 -86.9 -42.1 -27.8 33.2 5.5 1114 822 C V H >X5S+ 0 0 0 -4,-2.9 3,-2.0 -5,-0.3 4,-0.9 0.326 86.8 114.6-127.6 8.5 -28.2 31.7 2.0 1115 823 C G G >< S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.869 81.7 47.3 -56.9 -37.9 -24.1 25.5 -3.5 1120 828 C Q H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.865 109.7 54.6 -70.9 -34.9 -22.3 26.7 -6.7 1121 829 C G H > S+ 0 0 14 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 106.2 51.3 -61.6 -41.2 -21.9 30.1 -5.3 1122 830 C V H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.2 -2,-0.2 0.917 109.1 50.8 -64.5 -42.1 -20.1 28.7 -2.2 1123 831 C I H X S+ 0 0 25 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.937 110.2 50.0 -58.6 -45.4 -17.8 26.7 -4.5 1124 832 C L H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 109.4 51.8 -59.0 -44.4 -17.0 29.9 -6.4 1125 833 C I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.953 111.3 46.7 -58.0 -51.6 -16.3 31.7 -3.0 1126 834 C L H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.923 111.5 51.5 -55.7 -47.1 -13.8 28.9 -2.0 1127 835 C Q H < S+ 0 0 127 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.895 113.8 44.3 -59.7 -39.2 -12.1 28.9 -5.3 1128 836 C S H < S+ 0 0 13 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 129.2 18.5 -79.2 -31.1 -11.6 32.7 -5.2 1129 837 C V H X S+ 0 0 2 -4,-2.0 4,-1.7 -5,-0.2 5,-0.3 0.643 103.4 77.4-115.5 -21.2 -10.4 33.2 -1.6 1130 838 C F H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.4 5,-0.2 0.978 100.9 29.9 -66.9 -64.1 -9.2 29.9 -0.1 1131 839 C E H > S+ 0 0 111 -5,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.895 121.6 50.0 -67.0 -39.9 -5.7 29.2 -1.5 1132 840 C C H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.898 114.2 44.5 -68.9 -37.6 -4.7 32.9 -2.0 1133 841 C T H >X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.6 0.930 110.8 54.5 -70.2 -43.0 -5.7 33.8 1.6 1134 842 C L H >X S+ 0 0 10 -4,-2.4 4,-1.1 -5,-0.3 3,-0.7 0.924 105.4 53.8 -53.5 -45.6 -4.0 30.7 3.0 1135 843 C D H 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 106.4 53.2 -62.2 -29.1 -0.8 31.7 1.3 1136 844 C M H << S+ 0 0 9 -4,-1.0 -1,-0.2 -3,-0.6 3,-0.2 0.813 118.5 34.0 -69.5 -32.7 -1.0 35.1 3.0 1137 845 C I H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.391 98.8 76.9-111.5 2.2 -1.4 33.7 6.5 1138 846 C N S < S+ 0 0 60 -4,-1.1 -1,-0.1 1,-0.2 3,-0.1 0.132 79.4 68.9-107.3 18.8 0.7 30.5 6.6 1139 847 C K S S- 0 0 125 1,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.663 116.1 -12.9-104.8 -28.3 4.3 31.9 6.9 1140 848 C D - 0 0 55 -3,-0.1 -1,-0.4 3,-0.1 0, 0.0 -0.913 66.3-107.7-156.7-176.3 3.9 33.2 10.5 1141 849 C F S S+ 0 0 93 -2,-0.3 48,-0.1 -3,-0.1 47,-0.1 0.434 105.1 52.2 -99.0 -0.7 1.2 33.9 13.1 1142 850 C T S S+ 0 0 107 6,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.803 77.2 94.1-109.7 -37.8 1.2 37.7 12.9 1143 851 C E S S+ 0 0 89 1,-0.2 5,-0.2 2,-0.1 -3,-0.1 -0.278 95.1 8.6 -70.7 147.4 0.9 39.0 9.3 1144 852 C Y S > S+ 0 0 39 3,-0.1 4,-2.5 1,-0.1 -1,-0.2 0.931 73.2 179.8 51.4 57.7 -2.5 40.0 8.0 1145 853 C P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.844 76.8 47.8 -60.0 -38.4 -4.3 39.6 11.4 1146 854 C E H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.883 111.5 50.2 -69.0 -40.4 -7.8 40.6 10.1 1147 855 C H H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 108.9 53.9 -62.7 -44.4 -7.5 38.2 7.1 1148 856 C R H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.927 112.2 42.4 -49.9 -56.1 -6.5 35.4 9.5 1149 857 C V H X S+ 0 0 16 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.923 117.8 44.2 -64.7 -45.2 -9.5 35.9 11.7 1150 858 C E H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.857 107.8 60.6 -70.1 -34.6 -12.1 36.3 8.9 1151 859 C F H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.939 107.9 42.8 -58.2 -49.7 -10.6 33.4 6.9 1152 860 C Y H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.836 110.9 55.4 -71.6 -30.2 -11.3 30.9 9.6 1153 861 C K H X S+ 0 0 76 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.915 110.5 47.2 -61.9 -42.7 -14.8 32.3 10.3 1154 862 C L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.955 112.5 47.5 -63.8 -50.7 -15.6 31.8 6.6 1155 863 C L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.900 110.3 55.0 -57.3 -41.5 -14.2 28.2 6.6 1156 864 C K H X S+ 0 0 46 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.929 110.9 42.6 -57.4 -49.4 -16.2 27.5 9.8 1157 865 C V H X S+ 0 0 3 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.870 113.7 51.1 -70.0 -36.9 -19.5 28.5 8.3 1158 866 C I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 7,-0.2 0.936 111.2 49.0 -63.6 -44.6 -18.9 26.8 4.9 1159 867 C N H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.829 118.2 41.7 -61.4 -35.6 -18.0 23.6 6.8 1160 868 C E H < S+ 0 0 85 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.933 129.4 23.2 -72.6 -54.6 -21.2 24.0 8.8 1161 869 C K H < S+ 0 0 96 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.796 134.6 23.4 -90.3 -36.2 -23.7 25.1 6.1 1162 870 C S >< + 0 0 11 -4,-2.3 3,-1.8 -5,-0.4 4,-0.4 -0.427 60.4 156.9-136.5 59.5 -22.3 23.9 2.8 1163 871 C F T >> + 0 0 27 1,-0.3 3,-1.8 -3,-0.3 4,-1.4 0.830 67.9 74.5 -53.8 -35.1 -20.0 20.9 3.5 1164 872 C A H 3> S+ 0 0 54 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.793 84.3 67.8 -49.4 -33.0 -20.5 19.7 -0.1 1165 873 C A H <4 S+ 0 0 3 -3,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.866 101.4 45.5 -57.6 -37.7 -18.2 22.5 -1.2 1166 874 C F H X4 S+ 0 0 0 -3,-1.8 3,-0.9 -4,-0.4 -1,-0.2 0.863 107.5 57.5 -74.1 -37.1 -15.2 20.8 0.5 1167 875 C L H 3< S+ 0 0 55 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.814 104.1 55.1 -57.7 -32.2 -16.2 17.4 -1.0 1168 876 C E T 3< S+ 0 0 123 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.654 85.9 105.7 -78.3 -18.5 -15.9 19.1 -4.5 1169 877 C L S < S- 0 0 28 -3,-0.9 -3,-0.0 -4,-0.4 -46,-0.0 -0.280 80.5-106.6 -60.2 145.4 -12.3 20.3 -3.9 1170 878 C P >> - 0 0 82 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.410 37.3-104.9 -64.5 155.4 -9.5 18.4 -5.6 1171 879 C P H 3> S+ 0 0 113 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.835 120.4 53.4 -54.4 -39.1 -7.5 16.2 -3.3 1172 880 C A H 3> S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 111.6 45.8 -63.6 -39.4 -4.5 18.6 -3.1 1173 881 C A H <> S+ 0 0 7 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.846 110.3 52.9 -71.7 -37.7 -6.8 21.5 -2.1 1174 882 C F H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.878 106.4 54.3 -64.6 -36.4 -8.6 19.3 0.5 1175 883 C K H X S+ 0 0 95 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.933 106.2 51.9 -60.1 -44.5 -5.1 18.5 1.9 1176 884 C L H X S+ 0 0 45 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.836 106.5 54.9 -59.1 -34.6 -4.5 22.3 2.2 1177 885 C F H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.941 108.7 46.5 -64.9 -48.5 -7.8 22.5 4.1 1178 886 C V H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 113.5 49.9 -57.3 -47.0 -6.7 19.9 6.6 1179 887 C D H X S+ 0 0 64 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.881 109.3 52.0 -55.6 -44.1 -3.3 21.8 6.8 1180 888 C A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.847 107.5 51.6 -65.0 -37.8 -5.2 25.1 7.4 1181 889 C I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.960 111.9 45.6 -63.1 -51.4 -7.3 23.6 10.2 1182 890 C C H X S+ 0 0 7 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.824 110.0 55.9 -61.6 -32.9 -4.2 22.3 12.1 1183 891 C W H >< S+ 0 0 54 -4,-1.8 3,-0.8 -5,-0.2 4,-0.3 0.889 103.9 55.5 -65.5 -40.7 -2.4 25.6 11.5 1184 892 C A H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.905 103.1 52.6 -60.2 -43.6 -5.3 27.4 13.2 1185 893 C F H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.655 100.6 62.5 -80.2 -0.2 -5.1 25.4 16.4 1186 894 C K T << S+ 0 0 48 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.457 84.5 104.1 -89.6 -4.2 -1.4 26.3 16.7 1187 895 C H < - 0 0 1 -3,-1.7 9,-0.0 -4,-0.3 -3,-0.0 -0.513 60.9-156.1 -73.4 145.7 -2.3 29.9 17.0 1188 896 C N S S+ 0 0 103 -2,-0.2 2,-0.5 -47,-0.1 -1,-0.1 0.602 70.8 101.5 -91.5 -20.2 -2.2 31.6 20.4 1189 897 C N > - 0 0 60 1,-0.1 4,-2.6 -48,-0.1 5,-0.2 -0.577 69.6-148.5 -60.3 116.9 -4.7 34.2 19.1 1190 898 C R H > S+ 0 0 73 -2,-0.5 4,-2.2 1,-0.2 5,-0.4 0.839 91.5 62.3 -62.9 -38.4 -8.0 33.0 20.6 1191 899 C D H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.967 116.2 31.6 -49.9 -55.3 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-0.330 50.2 -10.7 76.2-154.0 -21.2 6.7 6.8 1212 920 C N S S+ 0 0 115 4,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 -0.466 93.2 128.5 -85.9 70.5 -19.4 3.8 5.1 1213 921 C V S >> S- 0 0 51 -2,-2.0 4,-2.2 1,-0.1 3,-0.6 -0.864 71.0-105.1-124.6 156.3 -18.5 5.5 1.8 1214 922 C P H 3> S+ 0 0 102 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.852 115.8 55.3 -48.7 -45.0 -15.2 5.9 -0.1 1215 923 C F H 3> S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 111.5 43.4 -59.1 -43.5 -14.7 9.6 0.7 1216 924 C A H <> S+ 0 0 2 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.884 113.5 51.6 -69.5 -40.3 -15.0 9.0 4.5 1217 925 C N H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 112.5 45.4 -62.7 -43.0 -12.8 5.9 4.4 1218 926 C E H X S+ 0 0 87 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.853 108.5 58.3 -67.1 -36.0 -10.1 7.8 2.5 1219 927 C F H X S+ 0 0 6 -4,-1.8 4,-3.2 -5,-0.3 5,-0.5 0.944 109.9 42.8 -58.8 -49.2 -10.4 10.7 4.9 1220 928 C H H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 5,-0.5 0.925 113.6 50.2 -66.1 -46.0 -9.6 8.4 7.8 1221 929 C K H < S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 122.1 35.2 -57.0 -39.3 -6.8 6.7 6.1 1222 930 C N H < S+ 0 0 84 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.853 135.0 13.6 -81.9 -37.3 -5.3 10.0 5.1 1223 931 C Y H X S+ 0 0 24 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.546 91.7 91.8-127.7 -13.3 -6.1 12.3 8.1 1224 932 C F H X S+ 0 0 2 -4,-1.6 4,-2.2 -5,-0.5 5,-0.1 0.949 98.6 39.7 -55.6 -53.6 -7.2 10.5 11.3 1225 933 C F H > S+ 0 0 30 -5,-0.5 4,-2.6 2,-0.2 5,-0.3 0.775 111.5 58.9 -70.2 -25.3 -3.7 10.2 12.7 1226 934 C I H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 110.3 42.4 -64.8 -46.9 -2.8 13.7 11.6 1227 935 C F H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 115.4 50.2 -65.8 -39.3 -5.7 15.1 13.6 1228 936 C V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.958 116.1 40.7 -63.8 -49.8 -4.9 12.8 16.6 1229 937 C S H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 114.7 50.8 -68.8 -41.2 -1.2 13.7 16.6 1230 938 C E H X S+ 0 0 53 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.880 111.2 49.8 -64.6 -37.7 -1.7 17.5 16.0 1231 939 C T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.937 110.9 49.2 -65.6 -47.2 -4.2 17.6 18.8 1232 940 C F H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 106.9 57.2 -54.8 -43.7 -1.8 15.9 21.1 1233 941 C F H X S+ 0 0 105 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.920 111.0 40.6 -57.6 -46.4 1.0 18.3 20.1 1234 942 C V H < S+ 0 0 1 -4,-1.7 6,-0.3 1,-0.2 -1,-0.2 0.805 113.8 55.1 -76.1 -28.9 -1.1 21.4 21.2 1235 943 C L H < S+ 0 0 10 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.884 118.0 34.0 -61.6 -41.1 -2.3 19.6 24.3 1236 944 C T H < S+ 0 0 19 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.434 96.0 79.6-102.3 -0.9 1.2 18.8 25.5 1237 945 C D S < S- 0 0 37 -4,-0.9 -1,-0.2 -5,-0.2 -3,-0.1 0.487 85.1-132.9 -92.6 0.1 3.4 21.8 24.4 1238 946 C S S S+ 0 0 58 -3,-0.3 3,-0.2 -4,-0.2 -4,-0.1 0.520 87.5 92.1 65.1 6.2 2.4 24.2 27.2 1239 947 C D S S+ 0 0 52 -5,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.314 82.6 48.4-110.1 7.2 1.9 27.0 24.7 1240 948 C H > + 0 0 10 -6,-0.3 3,-1.2 -5,-0.1 4,-0.2 -0.175 60.8 137.0-140.0 42.1 -1.8 26.4 24.1 1241 949 C K G > + 0 0 111 1,-0.3 3,-1.5 -3,-0.2 4,-0.2 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