==== 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 4HAU . COMPND 2 MOLECULE: GTP-BINDING NUCLEAR PROTEIN RAN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.SUN,Y.M.CHOOK . 1334 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1019 76.4 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 . 65 4.9 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 . 58 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 685 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 5 2 3 4 0 1 2 3 0 4 7 3 5 2 4 4 2 3 0 2 0 0 0 1 0 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 1 0 2 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 0 143 0, 0.0 51,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -77.3 15.5 58.2 45.4 2 10 A Q E -a 52 0A 85 49,-0.2 2,-0.4 51,-0.1 51,-0.2 -0.923 360.0-162.8-134.8 148.6 14.9 54.8 43.7 3 11 A F E -a 53 0A 33 49,-2.5 51,-2.6 -2,-0.3 2,-0.5 -0.985 24.0-122.3-132.1 136.3 12.8 51.7 44.2 4 12 A K E -a 54 0A 24 -2,-0.4 72,-2.7 70,-0.3 73,-1.1 -0.658 31.0-171.8 -77.3 123.8 13.0 48.2 42.7 5 13 A L E -ab 55 77A 1 49,-2.4 51,-3.5 -2,-0.5 2,-0.4 -0.977 7.4-157.1-118.5 125.5 9.8 47.3 40.9 6 14 A V E -ab 56 78A 0 71,-2.1 73,-2.2 -2,-0.5 2,-0.5 -0.888 2.5-158.3-105.4 137.7 9.2 43.8 39.6 7 15 A L E +ab 57 79A 1 49,-2.6 51,-2.0 -2,-0.4 2,-0.3 -0.962 21.1 168.0-117.8 118.6 6.7 43.2 36.8 8 16 A V E + b 0 80A 0 71,-2.4 73,-2.8 -2,-0.5 2,-0.2 -0.887 12.3 105.6-132.2 158.5 5.3 39.7 36.5 9 17 A G E - b 0 81A 0 -2,-0.3 73,-0.2 71,-0.2 3,-0.1 -0.757 64.5 -39.8 148.1 166.0 2.5 37.9 34.7 10 18 A D > - 0 0 22 71,-0.6 3,-1.4 79,-0.3 5,-0.3 0.019 69.0 -88.5 -53.1 154.2 1.7 35.5 31.8 11 19 A G T 3 S+ 0 0 21 49,-0.8 -1,-0.1 1,-0.2 48,-0.1 -0.363 112.5 21.3 -58.2 138.3 3.6 35.6 28.5 12 20 A G T 3 S+ 0 0 25 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.519 83.5 118.6 83.9 4.1 1.9 38.0 26.0 13 21 A T S < S- 0 0 0 -3,-1.4 69,-0.2 -4,-0.1 101,-0.1 0.668 88.5-102.5 -80.0 -17.0 -0.0 40.1 28.6 14 22 A G S > S+ 0 0 13 -4,-0.2 4,-2.8 67,-0.1 5,-0.2 0.606 74.0 138.6 108.0 18.9 1.8 43.3 27.6 15 23 A K H > S+ 0 0 14 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.945 79.7 38.8 -56.9 -55.1 4.4 43.8 30.4 16 24 A T H > S+ 0 0 32 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.917 115.6 52.7 -64.7 -44.1 7.2 44.9 28.1 17 25 A T H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.2 49.6 -58.0 -44.0 4.9 46.9 25.8 18 26 A F H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.930 112.6 45.9 -60.5 -50.6 3.6 48.8 28.9 19 27 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.948 112.0 51.6 -57.3 -49.4 7.1 49.5 30.2 20 28 A K H X>S+ 0 0 67 -4,-3.2 4,-3.0 1,-0.2 5,-1.0 0.901 105.2 56.0 -57.0 -43.2 8.3 50.7 26.7 21 29 A R H X5S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.928 111.9 43.5 -53.5 -45.5 5.3 53.0 26.4 22 30 A H H <5S+ 0 0 4 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.9 47.3 -69.0 -36.5 6.4 54.6 29.7 23 31 A L H <5S+ 0 0 41 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.947 135.8 1.2 -70.7 -53.5 10.1 54.7 28.7 24 32 A T H <5S- 0 0 36 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.564 91.4-113.8-116.7 -16.7 9.9 56.1 25.2 25 33 A G S < -CD 49 168A 8 3,-1.3 3,-1.9 -2,-0.5 122,-0.2 -0.827 50.2-104.5-128.0 166.6 6.2 64.6 41.4 47 55 A N T 3 S+ 0 0 81 120,-1.9 121,-0.1 -2,-0.3 119,-0.1 0.637 125.4 53.1 -61.7 -13.9 5.2 67.4 43.7 48 56 A R T 3 S- 0 0 145 1,-0.5 -1,-0.3 119,-0.3 120,-0.1 0.169 126.5 -93.5-105.6 14.8 7.3 65.5 46.3 49 57 A G E < - C 0 46A 28 -3,-1.9 -3,-1.3 2,-0.1 -1,-0.5 -0.481 65.9 -31.1 101.6-176.2 10.4 65.5 43.9 50 58 A P E - C 0 45A 89 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.534 50.4-161.6 -78.0 142.6 11.6 62.8 41.4 51 59 A I E - C 0 44A 3 -7,-2.7 -7,-2.8 -2,-0.2 2,-0.5 -0.996 5.4-155.1-124.8 129.9 10.9 59.2 42.0 52 60 A K E -aC 2 43A 73 -51,-2.4 -49,-2.5 -2,-0.4 2,-0.6 -0.924 3.1-162.8-109.6 123.7 13.0 56.6 40.2 53 61 A F E -aC 3 42A 0 -11,-3.5 -11,-2.3 -2,-0.5 2,-1.1 -0.934 10.1-152.8-102.3 120.0 11.7 53.1 39.5 54 62 A N E -aC 4 41A 36 -51,-2.6 -49,-2.4 -2,-0.6 2,-0.6 -0.822 26.2-151.6 -87.2 98.2 14.2 50.5 38.6 55 63 A V E -aC 5 40A 1 -15,-3.1 -15,-2.6 -2,-1.1 2,-1.0 -0.656 15.3-163.6 -85.3 115.6 11.8 48.3 36.6 56 64 A W E -aC 6 39A 8 -51,-3.5 -49,-2.6 -2,-0.6 2,-0.9 -0.843 10.1-165.4 -96.9 95.7 12.6 44.6 36.4 57 65 A D E -aC 7 38A 2 -19,-2.8 -19,-2.2 -2,-1.0 2,-0.1 -0.769 15.6-159.0 -88.3 104.6 10.4 43.4 33.5 58 66 A T E - C 0 37A 2 -51,-2.0 2,-0.3 -2,-0.9 -21,-0.2 -0.431 19.0-100.1 -92.9 158.1 10.4 39.6 33.9 59 67 A A - 0 0 7 -23,-2.7 -50,-0.2 5,-0.2 -48,-0.1 -0.565 23.9-169.2 -76.1 134.1 9.7 36.9 31.4 60 68 A G + 0 0 13 -2,-0.3 -49,-0.8 -50,-0.2 2,-0.4 0.628 62.1 92.2 -94.5 -22.2 6.2 35.3 31.5 61 69 A Q S > S- 0 0 45 -27,-0.3 3,-1.6 -51,-0.2 4,-0.2 -0.652 75.0-139.0 -72.1 127.8 6.8 32.3 29.2 62 70 A E G > S+ 0 0 131 -2,-0.4 3,-1.4 1,-0.3 4,-0.2 0.870 102.4 56.8 -55.5 -39.1 7.9 29.4 31.4 63 71 A K G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.672 114.2 38.9 -70.7 -15.1 10.6 28.4 28.8 64 72 A F G < S+ 0 0 69 -3,-1.6 -28,-2.6 1,-0.1 -1,-0.3 0.166 81.2 116.7-114.1 18.4 12.1 31.9 29.1 65 73 A G X + 0 0 11 -3,-1.4 3,-2.3 1,-0.2 -6,-0.2 0.653 44.4 179.1 -68.0 -19.7 11.7 32.3 32.9 66 74 A G T 3 S- 0 0 13 1,-0.3 -1,-0.2 -4,-0.2 4,-0.1 -0.262 71.2 -2.2 57.6-128.2 15.4 32.5 33.7 67 75 A L T > S- 0 0 1 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.545 88.1-172.1 -75.0 -6.6 16.0 33.0 37.5 68 76 A R G X S+ 0 0 89 -3,-2.3 3,-2.2 1,-0.3 4,-0.3 -0.231 73.3 11.4 54.5-123.1 12.2 33.1 38.1 69 77 A D G > S+ 0 0 21 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.683 114.6 80.4 -61.3 -16.0 11.5 34.1 41.7 70 78 A G G X S+ 0 0 1 -3,-2.4 3,-0.7 1,-0.3 -1,-0.3 0.783 85.0 62.0 -57.5 -27.2 15.2 35.0 42.0 71 79 A Y G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.734 93.9 63.2 -67.9 -22.6 14.3 38.3 40.3 72 80 A Y G X + 0 0 4 -3,-1.6 3,-2.6 -4,-0.3 -1,-0.2 0.643 69.0 125.3 -82.6 -12.9 12.0 39.2 43.2 73 81 A I T < S- 0 0 0 -3,-0.7 31,-0.1 -4,-0.4 -3,-0.0 -0.195 88.5 -4.2 -57.1 124.0 14.7 39.4 45.8 74 82 A Q T 3 S+ 0 0 101 29,-0.3 -70,-0.3 1,-0.2 -1,-0.3 0.591 87.3 160.1 67.3 14.3 14.6 42.8 47.5 75 83 A A < - 0 0 8 -3,-2.6 -1,-0.2 1,-0.1 -70,-0.2 -0.398 27.5-161.5 -57.7 142.3 11.8 44.2 45.2 76 84 A Q S S- 0 0 84 -72,-2.7 2,-0.3 1,-0.3 -71,-0.2 0.479 70.2 -0.2-105.4 -7.1 10.1 47.1 47.0 77 85 A C E -b 5 0A 0 -73,-1.1 -71,-2.1 30,-0.2 2,-0.3 -0.962 67.5-155.7-168.1 171.0 6.9 47.1 44.9 78 86 A A E -be 6 109A 0 30,-1.6 32,-2.2 -2,-0.3 2,-0.4 -0.997 14.7-145.2-156.5 155.1 5.3 45.1 42.0 79 87 A I E -be 7 110A 1 -73,-2.2 -71,-2.4 -2,-0.3 2,-0.5 -0.998 14.1-159.5-119.4 129.8 2.9 45.0 39.1 80 88 A I E -be 8 111A 0 30,-2.7 32,-2.7 -2,-0.4 2,-0.3 -0.966 18.4-159.8-107.1 122.0 1.0 41.8 38.3 81 89 A M E +be 9 112A 1 -73,-2.8 -71,-0.6 -2,-0.5 2,-0.3 -0.787 18.3 165.5-106.5 140.4 -0.3 41.9 34.8 82 90 A F E - e 0 113A 0 30,-2.3 32,-3.0 -2,-0.3 2,-0.5 -0.873 33.9-117.1-137.1 178.2 -3.0 39.9 33.0 83 91 A D E > - e 0 114A 11 3,-0.5 3,-2.2 -2,-0.3 7,-0.3 -0.977 9.0-151.3-121.1 116.3 -4.9 40.3 29.7 84 92 A V T 3 S+ 0 0 0 30,-2.6 39,-3.1 -2,-0.5 38,-2.2 0.642 99.1 58.6 -65.0 -13.5 -8.7 40.9 29.9 85 93 A T T 3 S+ 0 0 25 29,-0.4 2,-0.4 36,-0.2 -1,-0.3 0.409 103.2 59.4 -92.0 2.7 -9.0 39.1 26.5 86 94 A S X> - 0 0 22 -3,-2.2 4,-1.0 1,-0.1 3,-0.9 -0.864 60.4-169.8-138.9 104.7 -7.4 35.9 27.9 87 95 A R H 3> S+ 0 0 151 -2,-0.4 4,-2.5 1,-0.3 3,-0.3 0.823 86.3 63.1 -63.3 -36.4 -9.1 34.1 30.8 88 96 A V H 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.864 99.2 57.0 -56.2 -35.9 -6.1 31.8 31.4 89 97 A T H <4 S+ 0 0 6 -3,-0.9 4,-0.3 -6,-0.2 -79,-0.3 0.863 108.8 44.1 -68.9 -37.5 -4.0 34.9 32.3 90 98 A Y H >< S+ 0 0 41 -4,-1.0 3,-1.3 -3,-0.3 -1,-0.2 0.884 109.8 57.2 -67.9 -40.2 -6.4 35.9 35.0 91 99 A K H 3< S+ 0 0 96 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.834 106.0 51.6 -55.7 -35.1 -6.5 32.3 36.2 92 100 A N T >X S+ 0 0 24 -4,-1.7 4,-1.9 -5,-0.2 3,-0.6 0.559 83.5 91.9 -82.5 -7.7 -2.7 32.4 36.6 93 101 A V H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.3 5,-0.3 0.916 83.2 52.3 -55.1 -48.1 -2.8 35.6 38.7 94 102 A P H 3> S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.842 108.5 53.7 -59.1 -29.6 -2.9 33.7 42.1 95 103 A N H <> S+ 0 0 21 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.931 110.7 43.9 -68.9 -47.3 0.2 31.7 40.9 96 104 A W H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.938 115.2 49.2 -60.0 -48.4 2.2 34.8 40.2 97 105 A H H X S+ 0 0 18 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.896 109.3 53.2 -58.0 -43.9 1.1 36.5 43.4 98 106 A R H X S+ 0 0 26 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.942 112.1 43.5 -55.9 -52.4 2.0 33.3 45.4 99 107 A D H X S+ 0 0 48 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.900 116.3 49.2 -64.3 -40.9 5.5 33.2 44.0 100 108 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 3,-0.9 0.941 111.5 44.6 -62.5 -53.3 6.0 37.0 44.4 101 109 A V H 3< S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 101.7 67.2 -75.2 -19.9 4.8 37.3 48.0 102 110 A R H 3< S+ 0 0 33 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.2 0.834 117.3 27.8 -61.0 -31.0 6.8 34.3 49.2 103 111 A V H << S+ 0 0 10 -3,-0.9 2,-0.7 -4,-0.7 -29,-0.3 0.817 128.6 42.7 -93.9 -39.8 9.9 36.4 48.4 104 112 A C >< + 0 0 6 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 -0.807 69.3 178.2-116.1 91.0 8.4 39.9 49.0 105 113 A E T 3 S+ 0 0 109 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.718 70.8 19.3 -76.9 -24.8 6.4 39.6 52.1 106 114 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.3 -29,-0.0 -5,-0.0 -0.504 83.9 125.6-147.7 72.8 5.1 43.2 52.6 107 115 A I < - 0 0 33 -3,-0.5 2,-0.3 -2,-0.1 -30,-0.2 -0.930 62.6-100.0-126.8 152.2 5.2 45.4 49.5 108 116 A P - 0 0 28 0, 0.0 -30,-1.6 0, 0.0 2,-0.4 -0.557 44.2-171.9 -69.7 134.2 2.6 47.5 47.6 109 117 A I E -e 78 0A 6 26,-0.4 28,-2.1 -2,-0.3 2,-0.5 -0.991 14.2-155.6-132.7 134.8 1.4 45.6 44.6 110 118 A V E -ef 79 137A 0 -32,-2.2 -30,-2.7 -2,-0.4 2,-0.5 -0.950 8.3-150.3-108.9 132.1 -0.9 46.7 41.7 111 119 A L E -ef 80 138A 0 26,-3.6 28,-2.0 -2,-0.5 2,-0.4 -0.870 18.2-167.4 -95.2 130.7 -3.0 44.2 39.7 112 120 A C E -ef 81 139A 0 -32,-2.7 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-38,-2.2 2,-1.1 -2,-0.3 -37,-0.2 0.758 66.1 67.7-109.8 -38.7 -13.3 37.9 28.1 123 131 A V S S- 0 0 1 -39,-3.1 -1,-0.2 -40,-0.0 5,-0.1 -0.767 87.4-138.5 -86.6 100.2 -12.4 38.5 31.8 124 132 A K >> - 0 0 115 -2,-1.1 3,-1.5 1,-0.1 4,-0.7 -0.297 10.3-124.5 -64.9 141.3 -15.6 40.3 32.9 125 133 A A G >4 S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.909 112.2 57.2 -48.3 -49.0 -15.2 43.3 35.2 126 134 A K G 34 S+ 0 0 99 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.763 101.2 58.0 -54.7 -31.2 -17.5 41.6 37.8 127 135 A S G <4 S+ 0 0 49 -3,-1.5 2,-1.2 1,-0.1 -1,-0.3 0.655 78.8 97.7 -75.6 -19.1 -15.1 38.6 37.9 128 136 A I << + 0 0 7 -3,-1.7 -1,-0.1 -4,-0.7 -15,-0.0 -0.618 40.3 119.6 -83.7 96.9 -12.0 40.5 39.0 129 137 A V >> + 0 0 60 -2,-1.2 3,-1.7 2,-0.1 4,-0.5 0.418 33.5 101.6-134.2 -6.4 -11.9 40.1 42.8 130 138 A F H 3> S+ 0 0 43 1,-0.3 4,-0.7 -3,-0.3 3,-0.2 0.792 79.1 62.0 -55.1 -33.2 -8.6 38.3 43.6 131 139 A H H 3>>S+ 0 0 2 1,-0.2 5,-2.1 2,-0.1 4,-0.7 0.721 87.6 73.3 -65.2 -23.2 -7.1 41.6 44.7 132 140 A R H X45S+ 0 0 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-59.0 -51.7 26.0 40.2 31.1 359 34 C A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.880 108.0 54.1 -54.5 -42.8 25.9 38.9 34.7 360 35 C Q H X S+ 0 0 11 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.912 109.0 47.2 -56.9 -47.6 22.2 38.0 34.4 361 36 C E H X S+ 0 0 87 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 111.9 51.4 -63.9 -41.3 22.8 35.9 31.2 362 37 C I H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.935 111.0 46.9 -59.5 -48.9 25.7 34.1 32.9 363 38 C L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 -1,-0.2 0.862 111.1 51.6 -64.2 -38.5 23.7 33.2 36.0 364 39 C T H X S+ 0 0 23 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.946 112.1 46.3 -63.8 -48.5 20.8 32.0 33.9 365 40 C K H X S+ 0 0 120 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.904 114.9 48.1 -56.8 -43.6 23.2 29.8 31.9 366 41 C F H >< S+ 0 0 1 -4,-2.7 3,-1.3 2,-0.2 -2,-0.2 0.976 112.2 48.0 -62.2 -55.0 24.7 28.6 35.2 367 42 C Q H 3< S+ 0 0 3 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 111.6 51.2 -49.1 -46.1 21.3 27.9 36.8 368 43 C D H 3< S+ 0 0 80 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.594 78.6 114.2 -74.7 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379 54 C I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.935 111.9 48.6 -63.0 -46.0 27.7 27.3 47.4 380 55 C L H < S+ 0 0 18 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.910 117.4 43.0 -61.3 -39.6 25.7 26.9 50.6 381 56 C Q H < S+ 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 127.7 23.7 -71.9 -41.2 28.8 26.0 52.6 382 57 C F H < S+ 0 0 133 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.593 90.2 107.8-110.5 -15.4 31.2 28.6 51.2 383 58 C S < - 0 0 7 -4,-2.3 -44,-0.1 -5,-0.3 -45,-0.0 -0.375 41.9-168.3 -71.9 144.6 29.3 31.6 49.9 384 59 C T + 0 0 127 -46,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 0.216 69.7 85.4-107.1 11.0 29.2 34.9 51.7 385 60 C N >> - 0 0 11 1,-0.1 4,-1.5 2,-0.0 3,-0.7 -0.942 63.4-157.3-120.1 111.5 26.3 36.1 49.5 386 61 C P H 3> S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.831 95.4 56.5 -58.9 -32.8 22.8 35.3 50.5 387 62 C Q H 3> S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.849 102.9 55.8 -67.0 -34.5 21.5 35.8 46.9 388 63 C S H <> S+ 0 0 1 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.898 109.7 46.3 -58.2 -42.4 24.1 33.2 45.7 389 64 C K H X S+ 0 0 48 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.868 108.4 54.9 -72.3 -35.8 22.5 30.7 48.2 390 65 C F H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.951 110.2 47.5 -56.2 -50.5 19.0 31.6 47.1 391 66 C I H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.887 107.9 54.5 -60.7 -42.0 20.0 30.8 43.5 392 67 C A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.9 48.5 -54.9 -43.5 21.6 27.5 44.7 393 68 C L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.850 108.2 52.6 -69.5 -35.5 18.2 26.7 46.3 394 69 C S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 107.9 53.0 -63.7 -37.6 16.4 27.5 43.0 395 70 C I H X S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 111.9 44.6 -63.3 -45.6 18.7 25.2 41.2 396 71 C L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.904 108.5 57.8 -63.2 -43.5 17.8 22.4 43.7 397 72 C D H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.922 106.6 48.8 -52.0 -47.4 14.1 23.3 43.5 398 73 C K H X S+ 0 0 59 -4,-2.1 4,-1.6 1,-0.2 5,-0.4 0.904 113.1 47.3 -62.4 -41.4 14.2 22.6 39.7 399 74 C L H X>S+ 0 0 11 -4,-1.6 4,-2.4 2,-0.2 5,-0.6 0.923 114.8 46.3 -63.8 -46.8 16.0 19.3 40.3 400 75 C I H X5S+ 0 0 0 -4,-3.3 4,-0.7 1,-0.2 -2,-0.2 0.938 115.0 45.1 -64.4 -45.2 13.5 18.3 43.0 401 76 C T H <5S+ 0 0 34 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.808 130.4 19.0 -74.1 -27.5 10.4 19.2 41.1 402 77 C R H <5S+ 0 0 113 -4,-1.6 928,-0.8 -5,-0.2 -3,-0.2 0.724 134.3 22.5-116.1 -27.0 11.4 17.7 37.8 403 78 C K H >X5S+ 0 0 91 -4,-2.4 3,-1.8 -5,-0.4 4,-0.8 0.268 75.8 119.1-131.8 10.2 14.2 15.1 38.1 404 79 C W G ><> - 0 0 72 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.376 38.1-109.5 -57.9 150.7 20.5 7.8 42.8 409 84 C N H 3> S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.763 116.2 55.9 -59.3 -30.1 19.2 7.1 46.3 410 85 C D H 3> S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.772 104.1 53.5 -76.4 -27.1 22.3 8.5 48.1 411 86 C H H <> S+ 0 0 73 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.853 109.2 50.4 -72.2 -33.5 22.0 11.8 46.3 412 87 C R H X S+ 0 0 46 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.929 112.8 44.4 -66.5 -47.0 18.4 12.0 47.5 413 88 C I H X S+ 0 0 74 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.900 114.7 50.7 -62.9 -41.9 19.3 11.3 51.1 414 89 C G H X S+ 0 0 29 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.895 109.8 48.4 -63.4 -44.3 22.3 13.8 50.8 415 90 C I H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.926 112.4 48.5 -65.7 -45.8 20.2 16.6 49.5 416 91 C R H X S+ 0 0 39 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.933 111.9 51.5 -56.5 -46.8 17.5 16.1 52.2 417 92 C N H X S+ 0 0 98 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 111.3 44.4 -61.1 -46.9 20.3 16.1 54.8 418 93 C F H X S+ 0 0 39 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.792 114.7 48.8 -75.7 -22.8 22.0 19.3 53.7 419 94 C V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 114.9 44.0 -74.4 -51.7 18.7 21.2 53.3 420 95 C V H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.923 116.3 49.5 -51.8 -46.7 17.4 20.1 56.7 421 96 C G H X S+ 0 0 32 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.887 108.5 51.0 -65.3 -42.2 20.9 20.9 58.2 422 97 C M H X S+ 0 0 26 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.914 111.5 48.7 -60.5 -43.4 21.1 24.3 56.6 423 98 C I H X S+ 0 0 14 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.961 112.7 46.6 -62.4 -53.5 17.6 25.2 58.0 424 99 C I H X S+ 0 0 79 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 113.9 49.7 -50.5 -52.7 18.5 24.0 61.5 425 100 C S H X S+ 0 0 76 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.878 111.1 47.8 -57.3 -44.5 21.8 25.8 61.4 426 101 C M H < S+ 0 0 18 -4,-2.5 7,-0.4 1,-0.2 -1,-0.2 0.807 112.2 49.9 -69.9 -31.5 20.3 29.1 60.2 427 102 C C H < S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.836 106.0 54.5 -75.3 -35.8 17.5 29.0 63.0 428 103 C Q H < S+ 0 0 134 -4,-2.0 2,-0.8 -5,-0.2 -1,-0.2 0.732 95.3 74.1 -73.5 -24.2 19.9 28.3 65.9 429 104 C D S X S- 0 0 77 -4,-0.9 4,-2.7 -5,-0.2 5,-0.2 -0.834 71.8-160.0 -89.4 107.1 22.0 31.4 65.0 430 105 C D H > S+ 0 0 111 -2,-0.8 4,-2.0 1,-0.2 5,-0.2 0.829 88.5 53.9 -57.8 -35.8 19.8 34.3 66.2 431 106 C E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 113.0 42.0 -67.4 -45.7 21.7 36.9 64.0 432 107 C V H > S+ 0 0 38 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.926 113.8 52.6 -64.0 -48.7 21.1 34.8 60.8 433 108 C F H < S+ 0 0 12 -4,-2.7 -2,-0.2 -7,-0.4 -1,-0.2 0.863 114.6 43.2 -54.6 -39.6 17.5 34.0 61.8 434 109 C K H < S+ 0 0 140 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.890 124.8 31.1 -74.3 -41.1 16.9 37.7 62.3 435 110 C T H < S+ 0 0 65 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.612 113.2 55.0-101.9 -15.3 18.6 39.0 59.2 436 111 C Q X + 0 0 62 -4,-2.9 4,-2.2 1,-0.2 3,-0.2 -0.274 58.1 138.6-115.9 45.3 18.3 36.3 56.5 437 112 C K H > S+ 0 0 65 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.858 71.3 54.0 -57.5 -41.0 14.5 35.8 56.4 438 113 C N H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 110.4 45.8 -61.0 -44.1 14.4 35.5 52.5 439 114 C L H > S+ 0 0 5 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.892 113.5 49.1 -67.7 -40.3 17.0 32.8 52.4 440 115 C I H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 110.8 50.1 -69.1 -40.7 15.3 30.9 55.3 441 116 C N H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 111.3 49.8 -59.3 -40.2 11.9 31.1 53.6 442 117 C K H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 110.9 49.3 -66.3 -40.6 13.5 29.9 50.3 443 118 C S H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.924 109.9 51.5 -62.3 -46.2 15.0 26.9 52.3 444 119 C D H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.924 110.1 48.4 -56.6 -49.1 11.7 26.1 53.9 445 120 C L H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.892 110.7 51.7 -58.6 -41.2 10.0 26.1 50.4 446 121 C T H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.925 108.4 50.7 -64.9 -44.3 12.8 23.8 49.1 447 122 C L H X S+ 0 0 11 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.928 107.5 54.6 -54.3 -45.9 12.2 21.4 52.0 448 123 C V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.861 103.4 55.2 -59.6 -35.2 8.5 21.4 51.2 449 124 C Q H X S+ 0 0 21 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.875 108.3 49.0 -65.0 -35.4 9.4 20.4 47.6 450 125 C I H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 3,-0.5 0.914 108.9 52.6 -69.3 -42.5 11.3 17.4 49.1 451 126 C L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 102.5 59.0 -57.2 -40.9 8.2 16.6 51.3 452 127 C K H < S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.7 35.8 -58.3 -33.2 6.0 16.6 48.2 453 128 C Q H < S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 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554 C D H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.873 112.5 46.0 -70.5 -38.3 -27.8 66.4 33.1 843 555 C I H X S+ 0 0 26 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.888 112.1 51.3 -72.4 -41.6 -31.3 67.2 31.7 844 556 C M H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.908 110.5 50.2 -58.3 -44.7 -30.6 65.2 28.5 845 557 C Y H X S+ 0 0 2 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.955 113.5 45.1 -58.6 -50.8 -29.6 62.3 30.7 846 558 C V H >< S+ 0 0 2 -4,-2.1 3,-0.7 2,-0.2 4,-0.5 0.947 114.2 46.3 -61.3 -49.1 -32.7 62.6 32.9 847 559 C V H >< S+ 0 0 9 -4,-3.1 3,-1.5 1,-0.3 7,-0.2 0.920 111.0 52.9 -65.0 -41.1 -35.2 63.0 30.0 848 560 C G H 3< S+ 0 0 5 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.760 104.9 58.0 -62.3 -24.4 -33.7 60.1 28.0 849 561 C Q T << S+ 0 0 34 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.559 100.9 57.1 -82.5 -9.5 -34.1 57.9 31.2 850 562 C Y X> + 0 0 5 -3,-1.5 4,-1.9 -4,-0.5 3,-0.6 -0.391 52.7 148.5-122.0 55.8 -37.9 58.4 31.4 851 563 C P H 3> S+ 0 0 29 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.850 72.4 63.8 -57.3 -33.8 -39.4 57.2 28.1 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64.9 24.0 862 574 C R H X S+ 0 0 72 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.918 111.0 49.8 -55.8 -45.4 -42.1 67.2 21.0 863 575 C T H X S+ 0 0 75 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.895 109.4 51.1 -61.8 -42.9 -40.5 70.0 23.0 864 576 C V H X S+ 0 0 15 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.966 111.1 48.3 -56.6 -51.9 -37.6 67.8 24.1 865 577 C I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 110.4 50.1 -59.7 -43.9 -36.9 66.7 20.5 866 578 C L H X S+ 0 0 79 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.862 110.7 50.9 -63.7 -35.2 -37.0 70.3 19.1 867 579 C K H X S+ 0 0 102 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 108.3 51.5 -66.5 -41.8 -34.6 71.3 21.9 868 580 C L H X S+ 0 0 4 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.911 107.7 52.9 -60.7 -41.3 -32.3 68.4 20.9 869 581 C F H < S+ 0 0 20 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.883 106.2 53.4 -63.0 -40.6 -32.4 69.6 17.3 870 582 C E H >< S+ 0 0 120 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.942 106.3 52.8 -54.6 -48.7 -31.4 73.1 18.6 871 583 C F H >< S+ 0 0 34 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.710 91.1 75.0 -62.5 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62.1 -61.1 -41.2 -36.5 57.2 19.5 892 604 C Q H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 118.9 28.3 -53.3 -32.2 -35.5 53.6 20.3 893 605 C K H << S+ 0 0 121 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.746 130.5 35.1 -99.5 -30.3 -38.2 53.6 23.0 894 606 C C H >< S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.1 4,-0.3 0.305 73.0 121.2-112.9 8.3 -40.8 56.2 21.8 895 607 C K T >X + 0 0 59 -4,-1.9 3,-2.0 1,-0.3 4,-1.0 0.757 66.3 67.1 -48.6 -36.6 -40.8 55.7 18.0 896 608 C Y H >> S+ 0 0 130 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.866 96.1 57.0 -53.2 -38.4 -44.5 54.8 17.8 897 609 C H H <4 S+ 0 0 35 -3,-2.0 12,-0.3 1,-0.2 -1,-0.3 0.525 104.9 52.0 -73.6 -9.2 -45.3 58.4 18.8 898 610 C F H <4 S+ 0 0 0 -3,-2.0 12,-2.5 -4,-0.3 13,-0.3 0.622 108.5 49.7 -94.3 -23.6 -43.4 59.8 15.9 899 611 C V H << S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.764 100.4 69.9 -91.5 -29.3 -45.1 57.7 13.3 900 612 C I S < S- 0 0 48 -4,-1.5 9,-0.7 7,-0.1 2,-0.7 -0.464 90.2-109.1 -83.4 160.2 -48.8 58.4 14.3 901 613 C Q - 0 0 116 7,-0.2 3,-0.1 -2,-0.1 -3,-0.1 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H S+ 0 0 170 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.951 120.4 41.9 -58.2 -53.2 -27.0 47.8 -9.9 1015 727 C N H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.823 111.0 58.3 -65.4 -31.4 -25.2 51.1 -10.0 1016 728 C M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 108.2 44.5 -65.8 -42.4 -23.6 50.4 -6.6 1017 729 C L H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.853 111.5 53.3 -70.5 -36.5 -22.0 47.2 -7.9 1018 730 C Q H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 109.6 49.2 -57.8 -45.2 -20.9 49.0 -11.1 1019 731 C L H X S+ 0 0 14 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.894 105.8 56.8 -63.0 -41.1 -19.3 51.6 -8.8 1020 732 C Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.928 110.0 45.3 -50.8 -50.0 -17.6 48.8 -6.8 1021 733 C R H X S+ 0 0 103 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.920 112.4 50.3 -62.9 -46.8 -16.0 47.6 -10.0 1022 734 C A H X S+ 0 0 33 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.941 113.3 45.1 -57.6 -49.8 -14.9 51.1 -11.1 1023 735 C V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 110.2 56.4 -62.6 -39.2 -13.3 51.9 -7.7 1024 736 C S H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.936 107.1 47.8 -56.5 -48.2 -11.7 48.5 -7.8 1025 737 C S H X S+ 0 0 82 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.873 110.3 53.4 -61.1 -38.3 -10.0 49.3 -11.2 1026 738 C M H X S+ 0 0 20 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.947 109.9 47.1 -61.6 -46.2 -8.9 52.7 -9.7 1027 739 C I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.948 114.1 46.9 -59.8 -51.4 -7.2 50.9 -6.7 1028 740 C S H X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 111.6 50.6 -56.4 -47.4 -5.5 48.4 -9.0 1029 741 C A H X S+ 0 0 57 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.877 110.4 50.7 -60.6 -38.5 -4.3 51.0 -11.4 1030 742 C Q H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.928 109.9 48.0 -65.7 -45.9 -2.9 53.0 -8.5 1031 743 C V H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.901 112.4 51.5 -61.5 -39.0 -1.0 50.0 -7.0 1032 744 C A H < S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.890 117.4 37.2 -64.2 -40.3 0.4 49.4 -10.5 1033 745 C A H < S+ 0 0 85 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.801 132.2 23.5 -83.4 -31.9 1.6 53.0 -11.0 1034 746 C E H < S- 0 0 95 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.557 102.5-120.4-114.6 -12.5 2.8 53.8 -7.5 1035 747 C G >< - 0 0 31 -4,-2.0 3,-1.7 -5,-0.4 -1,-0.3 -0.342 51.9 -48.6 93.0 179.6 3.6 50.4 -5.8 1036 748 C L G > S+ 0 0 88 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.789 127.7 73.8 -56.9 -30.9 2.2 48.8 -2.7 1037 749 C I G > S+ 0 0 61 1,-0.3 3,-2.0 -3,-0.3 4,-0.5 0.774 78.4 76.1 -56.8 -27.5 2.8 52.1 -0.9 1038 750 C A G X S+ 0 0 0 -3,-1.7 3,-1.5 1,-0.3 6,-0.4 0.840 82.6 66.9 -50.0 -35.6 -0.3 53.4 -2.8 1039 751 C T G < S+ 0 0 11 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.659 97.7 53.4 -64.8 -16.9 -2.4 51.4 -0.3 1040 752 C K G < S+ 0 0 96 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.584 87.1 105.9 -88.9 -14.6 -1.3 53.7 2.5 1041 753 C T S <> S- 0 0 15 -3,-1.5 4,-2.6 -4,-0.5 5,-0.3 -0.307 79.6-122.0 -70.7 148.3 -2.3 56.9 0.6 1042 754 C P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.872 112.5 54.3 -52.9 -40.2 -5.5 58.9 1.6 1043 755 C K H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.970 111.9 40.5 -60.0 -55.6 -6.8 58.4 -2.0 1044 756 C V H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.926 115.6 51.6 -62.5 -43.4 -6.5 54.5 -2.0 1045 757 C R H X S+ 0 0 58 -4,-2.6 4,-1.9 -7,-0.3 -1,-0.2 0.897 110.2 50.7 -57.1 -40.5 -7.8 54.3 1.6 1046 758 C G H X S+ 0 0 18 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.901 110.2 48.7 -63.0 -43.4 -10.7 56.4 0.6 1047 759 C L H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.898 111.0 50.2 -63.4 -40.4 -11.5 54.2 -2.4 1048 760 C R H X S+ 0 0 41 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.845 102.6 60.7 -69.6 -33.7 -11.3 51.1 -0.3 1049 761 C T H X S+ 0 0 37 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.907 102.7 52.9 -55.0 -42.4 -13.7 52.7 2.2 1050 762 C I H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.949 112.0 44.7 -58.6 -49.2 -16.2 52.8 -0.6 1051 763 C K H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.917 113.9 49.4 -60.4 -46.5 -15.7 49.0 -1.2 1052 764 C K H X S+ 0 0 59 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.892 112.2 47.5 -61.9 -41.1 -15.8 48.2 2.5 1053 765 C E H X S+ 0 0 22 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.865 110.2 52.3 -71.3 -37.2 -19.1 50.2 3.0 1054 766 C I H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.943 112.5 46.0 -57.6 -48.2 -20.7 48.6 -0.0 1055 767 C L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.924 112.6 50.5 -61.2 -44.0 -19.8 45.2 1.4 1056 768 C K H X S+ 0 0 107 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.888 109.2 51.7 -62.3 -40.7 -21.1 46.3 4.9 1057 769 C L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.935 113.0 43.8 -62.0 -46.8 -24.4 47.4 3.3 1058 770 C V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.935 115.7 47.9 -65.4 -45.0 -24.9 44.1 1.5 1059 771 C E H X S+ 0 0 39 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.897 111.4 51.2 -61.0 -45.0 -23.9 42.1 4.6 1060 772 C T H X S+ 0 0 12 -4,-2.7 4,-0.9 -5,-0.2 -2,-0.2 0.953 114.2 43.0 -59.8 -51.4 -26.2 44.2 6.9 1061 773 C Y H >X S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.2 4,-1.1 0.961 115.2 47.5 -57.7 -56.8 -29.2 43.7 4.6 1062 774 C I H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.878 106.0 59.5 -57.9 -36.5 -28.6 40.0 4.0 1063 775 C S H 3< S+ 0 0 37 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.783 118.3 31.0 -63.1 -24.4 -28.1 39.3 7.7 1064 776 C K H << S+ 0 0 93 -3,-1.4 -61,-0.5 -4,-0.9 -1,-0.2 0.414 90.0 129.7-112.2 -1.8 -31.6 40.7 8.3 1065 777 C A << - 0 0 16 -4,-1.1 3,-0.1 -3,-0.6 -62,-0.1 -0.229 32.3-177.0 -63.1 140.9 -33.4 39.7 5.1 1066 778 C R S S+ 0 0 217 1,-0.2 2,-1.1 -63,-0.1 3,-0.2 0.679 74.8 68.0-105.5 -28.1 -36.7 37.9 5.3 1067 779 C N > + 0 0 78 1,-0.2 4,-1.4 -64,-0.1 3,-0.2 -0.725 57.4 168.4 -93.2 88.5 -37.2 37.4 1.6 1068 780 C L H > S+ 0 0 53 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.740 70.3 66.1 -74.3 -26.1 -34.4 34.9 0.8 1069 781 C D H > S+ 0 0 107 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.922 105.0 44.1 -59.6 -45.5 -35.7 34.2 -2.6 1070 782 C D H >>S+ 0 0 43 -3,-0.2 4,-2.9 2,-0.2 5,-1.4 0.879 109.4 57.2 -65.5 -41.6 -34.9 37.8 -3.7 1071 783 C V H X>S+ 0 0 0 -4,-1.4 5,-2.3 3,-0.2 4,-0.9 0.968 116.1 36.0 -51.5 -55.0 -31.5 37.6 -2.0 1072 784 C V H <>S+ 0 0 37 -4,-2.4 5,-0.7 3,-0.2 -2,-0.2 0.941 124.8 39.2 -64.4 -51.0 -30.6 34.6 -4.1 1073 785 C K H <5S+ 0 0 169 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.800 132.9 19.0 -72.9 -34.6 -32.4 35.6 -7.4 1074 786 C V H <5S+ 0 0 54 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.804 129.7 31.4-107.9 -43.6 -31.6 39.4 -7.3 1075 787 C L T X S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.913 114.1 52.0 -60.4 -39.3 -24.3 40.3 -9.2 1079 791 C L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.958 112.9 43.0 -56.6 -54.2 -22.5 40.4 -5.8 1080 792 C L H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 5,-0.5 0.928 113.6 52.3 -60.4 -48.1 -20.3 37.4 -6.5 1081 793 C N H < S+ 0 0 82 -4,-2.6 4,-0.3 -5,-0.2 5,-0.2 0.894 115.4 42.4 -51.2 -45.0 -19.6 38.6 -10.0 1082 794 C A H < S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.799 125.5 28.0 -74.9 -31.5 -18.5 42.0 -8.7 1083 795 C V H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -3,-0.2 0.815 106.6 60.6-106.6 -33.3 -16.4 40.9 -5.6 1084 796 C L H X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.937 106.2 40.5 -73.1 -54.3 -14.8 37.4 -6.0 1085 797 C E H > S+ 0 0 129 -5,-0.5 4,-3.0 -4,-0.3 -1,-0.2 0.902 114.7 55.7 -62.0 -41.3 -12.6 37.7 -9.1 1086 798 C D H > S+ 0 0 31 -5,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.885 110.7 44.1 -58.0 -42.9 -11.5 41.2 -7.9 1087 799 C Y H >< S+ 0 0 2 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.970 116.1 47.2 -63.4 -54.4 -10.4 39.7 -4.5 1088 800 C M H 3< S+ 0 0 69 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.868 115.7 44.4 -53.6 -44.5 -8.7 36.7 -6.1 1089 801 C N H 3< S+ 0 0 102 -4,-3.0 2,-0.2 -5,-0.2 -1,-0.2 0.374 93.9 90.8 -94.3 4.2 -6.8 38.7 -8.7 1090 802 C N S << S- 0 0 15 -3,-1.1 5,-0.1 -4,-0.5 -62,-0.0 -0.642 87.7 -98.5 -88.0 153.5 -5.6 41.6 -6.5 1091 803 C V >> - 0 0 67 -2,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.377 43.9-100.5 -63.2 153.0 -2.2 41.5 -4.8 1092 804 C P G >4 S+ 0 0 51 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.835 120.5 54.4 -43.6 -49.1 -2.4 40.4 -1.1 1093 805 C D G 34 S+ 0 0 51 1,-0.3 -2,-0.0 3,-0.0 47,-0.0 0.557 107.3 52.0 -68.7 -10.9 -2.1 44.0 0.3 1094 806 C A G <4 S+ 0 0 0 -3,-2.1 2,-0.4 -7,-0.1 -1,-0.3 0.444 84.9 107.5-101.6 -4.6 -5.0 45.2 -1.8 1095 807 C R << - 0 0 23 -3,-1.4 2,-0.6 -4,-0.5 48,-0.1 -0.612 65.4-136.9 -78.4 129.3 -7.5 42.4 -0.7 1096 808 C D >> - 0 0 4 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.777 4.2-154.3 -89.1 120.3 -10.3 43.5 1.6 1097 809 C A H >> S+ 0 0 5 -2,-0.6 4,-1.6 1,-0.3 3,-0.6 0.767 92.4 75.5 -59.4 -25.0 -10.9 41.1 4.5 1098 810 C E H 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.741 83.4 64.7 -60.0 -25.8 -14.5 42.5 4.5 1099 811 C V H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.945 103.2 47.3 -60.2 -45.4 -15.1 40.4 1.3 1100 812 C L H X S+ 0 0 0 -4,-2.8 3,-1.8 -5,-0.3 4,-0.7 0.344 87.6 112.4-128.0 9.0 -28.6 31.5 1.8 1111 823 C G G >< S+ 0 0 1 -4,-1.7 3,-1.1 -5,-0.5 7,-0.2 0.856 76.7 59.5 -53.5 -42.5 -25.8 28.9 1.4 1112 824 C H G 34 S+ 0 0 123 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.768 109.3 45.6 -56.3 -26.4 -28.2 26.0 1.4 1113 825 C M G <4 S+ 0 0 65 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.552 112.0 50.3 -95.4 -11.8 -29.9 27.6 -1.7 1114 826 C I S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.879 82.2 45.0 -55.8 -39.3 -24.4 25.3 -3.8 1116 828 C Q H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 110.8 55.6 -71.6 -36.4 -22.7 26.4 -7.0 1117 829 C G H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 106.4 50.0 -57.1 -43.3 -22.3 29.9 -5.5 1118 830 C V H X S+ 0 0 0 -4,-2.4 4,-2.4 -7,-0.2 -1,-0.2 0.888 108.5 52.9 -66.2 -38.9 -20.5 28.5 -2.4 1119 831 C I H X S+ 0 0 23 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.935 108.5 50.5 -61.3 -44.5 -18.2 26.5 -4.7 1120 832 C L H X S+ 0 0 67 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 108.4 52.2 -61.0 -40.0 -17.3 29.7 -6.5 1121 833 C I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.958 111.0 47.0 -61.6 -51.3 -16.6 31.5 -3.2 1122 834 C L H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.921 112.2 49.7 -55.3 -48.7 -14.2 28.7 -2.1 1123 835 C Q H < S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.871 114.9 46.0 -58.4 -38.5 -12.4 28.7 -5.5 1124 836 C S H < S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.805 129.5 15.2 -77.6 -31.8 -12.0 32.4 -5.4 1125 837 C V H X S+ 0 0 2 -4,-2.0 4,-1.5 -3,-0.1 5,-0.3 0.582 104.5 79.0-122.3 -16.0 -10.8 33.0 -1.8 1126 838 C F H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.990 100.3 30.4 -69.3 -65.9 -9.6 29.7 -0.3 1127 839 C E H > S+ 0 0 109 -5,-0.4 4,-2.3 -4,-0.2 -1,-0.1 0.909 122.1 48.8 -64.5 -42.7 -6.1 29.0 -1.7 1128 840 C C H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.904 114.2 45.6 -67.9 -38.5 -5.1 32.6 -2.1 1129 841 C T H >X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 3,-0.7 0.931 110.3 54.4 -69.1 -43.0 -6.2 33.6 1.4 1130 842 C L H >X S+ 0 0 8 -4,-2.5 4,-1.1 -5,-0.3 3,-0.8 0.936 105.6 53.8 -53.7 -46.0 -4.5 30.5 2.9 1131 843 C D H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 105.5 54.0 -62.9 -27.6 -1.2 31.5 1.2 1132 844 C M H << S+ 0 0 9 -4,-1.0 -1,-0.2 -3,-0.7 3,-0.2 0.807 118.4 33.6 -68.1 -34.8 -1.4 35.0 2.9 1133 845 C I H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.381 99.1 77.3-109.5 0.7 -1.8 33.5 6.4 1134 846 C N S < S+ 0 0 60 -4,-1.1 -1,-0.1 1,-0.2 -3,-0.1 0.209 79.6 69.3-104.8 17.0 0.3 30.3 6.4 1135 847 C K S S- 0 0 122 1,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.733 116.0 -13.0-100.2 -32.7 3.8 31.8 6.7 1136 848 C D - 0 0 58 -3,-0.1 -1,-0.3 3,-0.1 0, 0.0 -0.898 67.2-105.3-154.3-175.6 3.4 33.1 10.3 1137 849 C F S S+ 0 0 86 -2,-0.3 48,-0.1 -3,-0.1 47,-0.1 0.526 106.5 45.0 -95.8 -2.8 0.7 33.6 13.0 1138 850 C T S S+ 0 0 105 6,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.745 77.5 98.9-117.5 -36.0 0.5 37.5 12.8 1139 851 C E S S+ 0 0 88 1,-0.2 5,-0.2 2,-0.1 -3,-0.1 -0.290 94.9 9.8 -64.1 147.0 0.4 38.8 9.2 1140 852 C Y S > S- 0 0 39 3,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.913 75.2-179.6 49.7 56.4 -3.0 39.8 7.8 1141 853 C P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.818 76.4 47.2 -57.8 -37.6 -4.8 39.4 11.2 1142 854 C E H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.894 111.6 50.0 -70.9 -42.0 -8.3 40.3 9.9 1143 855 C H H > S+ 0 0 17 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.933 110.0 53.6 -59.7 -45.3 -8.0 38.0 6.9 1144 856 C R H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.929 112.4 41.9 -52.3 -55.4 -6.9 35.3 9.3 1145 857 C V H X S+ 0 0 20 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.940 118.5 44.0 -65.5 -47.8 -10.0 35.7 11.5 1146 858 C E H X S+ 0 0 28 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.870 107.3 61.7 -65.8 -36.8 -12.5 36.1 8.7 1147 859 C F H X S+ 0 0 3 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.935 107.5 42.8 -52.3 -49.4 -11.0 33.2 6.7 1148 860 C Y H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.821 110.1 55.4 -76.1 -29.3 -11.8 30.7 9.5 1149 861 C K H X S+ 0 0 71 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.894 110.3 48.6 -62.2 -38.8 -15.3 32.1 10.2 1150 862 C L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.955 111.5 46.4 -67.7 -51.9 -16.0 31.6 6.4 1151 863 C L H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.876 110.5 56.6 -56.8 -39.9 -14.7 28.0 6.4 1152 864 C K H X S+ 0 0 50 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.931 110.5 41.3 -57.5 -48.3 -16.7 27.3 9.6 1153 865 C V H X S+ 0 0 3 -4,-1.9 4,-3.5 2,-0.2 5,-0.4 0.888 114.7 51.8 -73.5 -36.8 -20.0 28.3 8.1 1154 866 C I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 7,-0.2 0.930 111.5 47.3 -61.8 -44.7 -19.2 26.6 4.7 1155 867 C N H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.883 118.6 42.7 -63.0 -39.2 -18.4 23.4 6.6 1156 868 C E H < S+ 0 0 83 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.920 129.8 22.2 -69.5 -51.5 -21.6 23.8 8.7 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