==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE/SIGNALING PROTEIN 18-JUL-12 4G5R . COMPND 2 MOLECULE: GUANINE NUCLEOTIDE-BINDING PROTEIN G(K) SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.JIA,J.LI,J.ZHU,W.WEN,M.ZHANG,W.WANG . 1352 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 961 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 2.2 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 . 4 0.3 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 . 99 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 512 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 5 9 4 0 3 9 1 7 8 0 0 0 0 0 1 1 0 3 1 1 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 4 0 0 5 4 3 4 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 . 0 0 0 0 0 2 2 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 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 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 32 A K 0 0 127 0, 0.0 163,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 13.7 -59.1 -39.7 -12.3 2 33 A E E -a 164 0A 138 161,-0.1 2,-0.5 163,-0.0 163,-0.2 -0.747 360.0-145.5 -99.1 144.9 -57.4 -42.0 -14.9 3 34 A V E -a 165 0A 9 161,-2.8 163,-2.8 -2,-0.3 2,-0.7 -0.946 7.2-163.4-121.1 122.7 -59.1 -43.0 -18.2 4 35 A K E -a 166 0A 27 -2,-0.5 184,-2.0 182,-0.2 185,-1.4 -0.884 8.9-171.3-107.3 108.7 -58.8 -46.4 -19.9 5 36 A L E -ab 167 189A 0 161,-2.6 163,-2.6 -2,-0.7 2,-0.5 -0.836 2.6-164.5-100.8 132.4 -59.8 -46.5 -23.5 6 37 A L E -ab 168 190A 0 183,-2.1 185,-3.0 -2,-0.4 2,-0.5 -0.964 7.3-150.5-121.2 120.2 -60.1 -49.8 -25.4 7 38 A L E +ab 169 191A 0 161,-2.8 163,-0.6 -2,-0.5 164,-0.2 -0.758 25.2 164.7 -87.1 123.6 -60.3 -50.1 -29.2 8 39 A L E + b 0 192A 0 183,-1.5 185,-2.5 -2,-0.5 2,-0.2 -0.737 15.1 105.9-125.9 179.9 -62.1 -53.1 -30.6 9 40 A G - 0 0 0 183,-0.3 185,-0.1 -2,-0.2 4,-0.1 -0.387 66.2 -62.7 123.4 155.3 -63.6 -54.0 -34.0 10 41 A A > - 0 0 9 183,-0.5 3,-0.7 1,-0.2 5,-0.3 0.139 70.0 -65.4 -63.7-179.8 -62.7 -56.4 -36.8 11 42 A G T 3 S+ 0 0 2 1273,-1.2 -1,-0.2 1,-0.2 184,-0.1 -0.350 116.5 17.8 -69.8 148.8 -59.6 -56.2 -39.0 12 43 A E T 3 S+ 0 0 37 1273,-0.2 -1,-0.2 1276,-0.1 -2,-0.1 0.853 88.0 120.9 61.8 38.8 -58.9 -53.3 -41.3 13 44 A S S < S- 0 0 5 -3,-0.7 181,-0.2 -4,-0.1 225,-0.1 0.580 87.6 -93.1-109.2 -16.6 -61.5 -51.1 -39.4 14 45 A G S > S+ 0 0 11 -4,-0.1 4,-2.9 179,-0.1 5,-0.2 0.348 82.6 126.2 125.4 -4.1 -59.2 -48.2 -38.4 15 46 A K H > S+ 0 0 5 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.924 80.3 39.9 -50.8 -64.1 -57.9 -49.1 -34.9 16 47 A S H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 115.9 55.3 -53.5 -40.6 -54.2 -48.8 -35.4 17 48 A T H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 106.0 50.0 -59.0 -46.8 -54.9 -45.7 -37.6 18 49 A I H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.881 109.3 52.3 -60.6 -39.6 -56.8 -44.1 -34.7 19 50 A V H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.954 108.9 49.5 -59.4 -50.6 -53.9 -44.8 -32.4 20 51 A K H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.892 109.8 52.0 -53.2 -45.1 -51.5 -43.1 -34.8 21 52 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.884 104.9 55.6 -58.4 -41.8 -53.9 -40.2 -35.0 22 53 A M H X>S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.9 0.865 108.6 49.0 -60.0 -38.0 -53.8 -40.0 -31.2 23 54 A K H X5S+ 0 0 13 -4,-1.9 4,-1.1 3,-0.2 6,-0.9 0.953 111.3 48.7 -62.5 -51.7 -50.1 -39.7 -31.4 24 55 A I H <5S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.826 121.7 33.9 -59.1 -33.4 -50.3 -37.0 -34.1 25 56 A I H <5S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.915 131.5 21.3 -93.0 -47.8 -52.8 -34.9 -32.1 26 57 A H H <5S+ 0 0 40 -4,-2.2 133,-0.4 -5,-0.3 -3,-0.2 0.668 120.1 55.0-105.6 -21.6 -52.1 -35.3 -28.4 27 58 A E S <> - 0 0 50 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 -0.459 26.0-110.9 -80.6 153.0 -40.5 -36.6 -35.6 32 63 A E H 3> S+ 0 0 62 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.764 117.2 63.5 -54.7 -29.2 -38.5 -36.5 -38.9 33 64 A D H 3> S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.949 109.0 38.9 -56.3 -52.5 -36.2 -39.2 -37.5 34 65 A E H <> S+ 0 0 74 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.884 110.7 58.1 -67.7 -44.3 -39.2 -41.6 -37.4 35 66 A C H < S+ 0 0 8 -4,-2.3 4,-0.4 1,-0.2 3,-0.2 0.895 105.5 52.2 -53.3 -41.4 -40.7 -40.4 -40.7 36 67 A K H >< S+ 0 0 141 -4,-2.2 3,-1.7 1,-0.2 4,-0.4 0.934 105.3 55.2 -57.3 -47.1 -37.3 -41.4 -42.2 37 68 A Q H 3< S+ 0 0 123 -4,-1.5 4,-0.5 1,-0.3 3,-0.4 0.811 102.8 56.9 -56.4 -33.9 -37.7 -44.8 -40.6 38 69 A Y T 3X S+ 0 0 58 -4,-1.7 4,-2.5 -3,-0.2 -1,-0.3 0.524 80.5 89.5 -79.8 -6.0 -41.1 -45.3 -42.3 39 70 A K H <> S+ 0 0 21 -3,-1.7 4,-2.5 -4,-0.4 5,-0.2 0.948 88.1 47.7 -53.7 -56.1 -39.8 -44.7 -45.9 40 71 A V H > S+ 0 0 50 -4,-0.4 4,-2.6 -3,-0.4 -1,-0.2 0.880 111.2 52.9 -53.0 -42.6 -39.0 -48.4 -46.5 41 72 A V H > S+ 0 0 9 -4,-0.5 4,-3.0 2,-0.2 5,-0.2 0.925 108.2 50.3 -59.4 -49.2 -42.5 -49.3 -45.1 42 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 112.4 45.4 -53.2 -55.1 -44.1 -46.9 -47.5 43 74 A Y H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.915 114.3 51.0 -56.3 -44.5 -42.3 -48.3 -50.6 44 75 A S H X S+ 0 0 21 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.973 109.7 46.7 -56.0 -62.3 -43.1 -51.8 -49.3 45 76 A N H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.839 111.4 53.9 -51.7 -39.0 -46.8 -51.2 -48.9 46 77 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.957 110.9 46.2 -58.5 -50.9 -46.9 -49.6 -52.3 47 78 A I H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.935 112.6 47.3 -58.8 -52.4 -45.3 -52.7 -53.8 48 79 A Q H X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.823 111.0 55.8 -62.2 -31.6 -47.5 -55.3 -52.1 49 80 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.986 111.0 39.9 -61.5 -61.0 -50.5 -53.2 -53.1 50 81 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.900 116.2 52.6 -59.1 -40.3 -49.8 -53.2 -56.8 51 82 A I H X S+ 0 0 25 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.951 107.6 51.2 -55.1 -52.6 -48.7 -56.9 -56.6 52 83 A A H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.885 108.8 51.4 -55.3 -43.3 -52.0 -57.8 -54.9 53 84 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.924 110.6 49.8 -58.3 -44.0 -53.9 -56.0 -57.7 54 85 A I H X S+ 0 0 22 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.945 109.4 48.0 -63.3 -52.8 -51.9 -58.0 -60.2 55 86 A R H X S+ 0 0 115 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.869 109.9 57.1 -51.2 -39.1 -52.5 -61.4 -58.6 56 87 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.888 102.4 51.1 -62.4 -41.7 -56.2 -60.3 -58.5 57 88 A M H X>S+ 0 0 8 -4,-1.9 5,-2.0 -3,-0.2 4,-0.8 0.843 108.7 56.9 -62.8 -33.0 -56.2 -59.8 -62.3 58 89 A G H ><5S+ 0 0 55 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.989 111.6 37.4 -53.8 -65.0 -54.8 -63.3 -62.4 59 90 A R H 3<5S+ 0 0 190 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.760 121.5 44.8 -64.1 -28.5 -57.7 -64.9 -60.5 60 91 A L H 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.521 107.9-128.1 -93.0 -6.4 -60.4 -62.7 -62.0 61 92 A K T <<5 + 0 0 83 -3,-0.9 2,-0.5 -4,-0.8 -3,-0.2 0.982 47.3 159.1 56.1 67.8 -58.9 -63.2 -65.5 62 93 A I < - 0 0 34 -5,-2.0 2,-0.2 -6,-0.0 -1,-0.2 -0.978 29.4-143.7-122.2 121.4 -58.6 -59.6 -66.7 63 94 A D - 0 0 146 -2,-0.5 4,-0.0 1,-0.1 -5,-0.0 -0.525 25.0-102.9 -84.4 147.1 -56.2 -58.8 -69.5 64 95 A F - 0 0 48 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.092 22.1-122.9 -59.7 162.0 -54.2 -55.6 -69.6 65 96 A G S S+ 0 0 63 1,-0.3 2,-0.7 2,-0.0 -1,-0.1 0.981 109.4 29.3 -69.2 -61.6 -55.2 -52.7 -71.9 66 97 A E S > S- 0 0 56 1,-0.1 3,-1.1 -3,-0.0 -1,-0.3 -0.898 77.8-155.5 -98.1 108.5 -51.8 -52.8 -73.6 67 98 A A G > S+ 0 0 82 -2,-0.7 3,-0.6 -3,-0.3 4,-0.2 0.580 84.9 77.6 -59.1 -10.7 -50.5 -56.3 -73.4 68 99 A A G > S+ 0 0 74 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.946 82.9 59.5 -63.5 -51.6 -47.0 -54.8 -73.7 69 100 A R G X> S+ 0 0 30 -3,-1.1 4,-1.0 1,-0.3 3,-1.0 0.608 81.3 89.4 -57.2 -13.8 -46.7 -53.6 -70.1 70 101 A A H <> S+ 0 0 34 -3,-0.6 4,-1.7 -4,-0.3 3,-0.4 0.826 77.7 62.8 -52.8 -34.7 -47.2 -57.3 -69.0 71 102 A D H <> S+ 0 0 122 -3,-1.9 4,-2.8 1,-0.3 -1,-0.3 0.895 95.6 58.6 -62.0 -38.4 -43.4 -57.7 -69.1 72 103 A D H <> S+ 0 0 45 -3,-1.0 4,-3.7 -4,-0.3 -1,-0.3 0.880 101.5 56.1 -58.7 -37.2 -43.0 -55.1 -66.4 73 104 A A H X S+ 0 0 18 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.964 108.8 45.6 -57.0 -52.9 -45.2 -57.3 -64.2 74 105 A R H X S+ 0 0 66 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.889 116.8 46.7 -55.0 -41.2 -42.8 -60.2 -64.8 75 106 A Q H >X S+ 0 0 58 -4,-2.8 4,-2.8 1,-0.2 3,-0.9 0.879 103.5 64.0 -69.4 -35.0 -40.0 -57.7 -64.1 76 107 A L H 3X S+ 0 0 3 -4,-3.7 4,-1.1 1,-0.3 -2,-0.2 0.920 95.9 55.2 -58.0 -52.9 -41.8 -56.3 -61.0 77 108 A F H 3< S+ 0 0 106 -4,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.767 113.3 44.4 -51.3 -30.3 -41.6 -59.5 -59.0 78 109 A V H X< S+ 0 0 120 -3,-0.9 3,-1.0 -4,-0.6 -1,-0.2 0.928 115.2 45.4 -79.1 -49.2 -37.8 -59.5 -59.6 79 110 A L H >< S+ 0 0 13 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.480 88.5 97.3 -70.7 -1.8 -37.4 -55.8 -58.8 80 111 A A T 3< S+ 0 0 29 -4,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.820 77.0 55.1 -58.0 -35.8 -39.7 -56.3 -55.8 81 112 A G T < S+ 0 0 65 -3,-1.0 4,-0.3 1,-0.2 -1,-0.3 0.295 80.2 97.4 -83.6 13.5 -36.7 -56.7 -53.4 82 113 A S S < S+ 0 0 35 -3,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.241 78.1 53.8 -88.8 14.1 -35.2 -53.3 -54.4 83 114 A A S S+ 0 0 4 -3,-0.5 -1,-0.2 5,-0.1 -2,-0.1 0.718 76.4 91.5-113.1 -34.5 -36.7 -51.4 -51.5 84 115 A E S S+ 0 0 80 1,-0.2 -2,-0.1 -3,-0.2 3,-0.1 0.748 100.3 30.9 -37.2 -50.9 -35.6 -53.2 -48.4 85 116 A E S S- 0 0 108 1,-0.3 2,-0.3 -4,-0.3 -1,-0.2 0.952 126.6 -82.2 -73.6 -53.5 -32.4 -51.2 -48.0 86 117 A G S S+ 0 0 28 1,-0.2 -1,-0.3 -4,-0.2 0, 0.0 -0.972 84.5 60.6 170.8-177.4 -33.7 -48.0 -49.4 87 118 A V - 0 0 87 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.857 63.9-121.6 36.1 106.3 -34.4 -45.9 -52.6 88 119 A M - 0 0 4 45,-0.2 -1,-0.1 1,-0.1 -5,-0.1 -0.565 35.8-114.3 -68.6 122.7 -36.9 -47.2 -55.1 89 120 A T >> - 0 0 41 -2,-0.4 4,-2.2 -7,-0.3 3,-0.9 -0.375 15.3-126.2 -58.8 135.0 -35.0 -47.5 -58.4 90 121 A P H 3> S+ 0 0 111 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.740 114.3 61.5 -56.5 -24.1 -36.4 -45.1 -61.1 91 122 A E H 3> S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -12,-0.0 0.910 105.4 45.1 -62.6 -46.0 -36.6 -48.2 -63.2 92 123 A L H X> S+ 0 0 1 -3,-0.9 4,-2.6 1,-0.2 3,-0.6 0.896 107.9 56.5 -65.5 -45.5 -39.1 -49.7 -60.6 93 124 A A H 3X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.848 106.8 51.6 -52.6 -36.4 -41.0 -46.4 -60.4 94 125 A G H 3X S+ 0 0 39 -4,-1.2 4,-1.2 -5,-0.2 -1,-0.3 0.742 106.9 53.2 -75.5 -24.9 -41.5 -46.7 -64.1 95 126 A V H < S+ 0 0 9 -4,-2.4 3,-0.6 1,-0.2 6,-0.3 0.906 114.3 49.9 -71.2 -42.6 -48.9 -50.8 -64.6 100 131 A W H 3< S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.734 108.9 52.4 -69.6 -25.2 -51.1 -48.5 -62.5 101 132 A R H 3< S+ 0 0 196 -4,-1.0 2,-0.4 -5,-0.3 -1,-0.2 0.655 83.7 110.5 -83.2 -16.2 -52.0 -46.3 -65.5 102 133 A D XX - 0 0 15 -3,-0.6 4,-2.4 -4,-0.5 3,-0.8 -0.455 66.8-144.4 -68.1 118.0 -53.0 -49.3 -67.4 103 134 A G H 3> S+ 0 0 52 -2,-0.4 4,-1.0 1,-0.3 -1,-0.2 0.626 100.2 58.6 -58.3 -16.0 -56.8 -49.2 -67.9 104 135 A G H 3> S+ 0 0 7 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.866 107.4 45.0 -79.0 -41.0 -56.9 -53.0 -67.6 105 136 A V H X> S+ 0 0 0 -3,-0.8 4,-2.2 -6,-0.3 3,-0.7 0.906 111.4 54.0 -64.7 -44.4 -55.3 -52.8 -64.1 106 137 A Q H 3X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.848 102.1 58.3 -56.9 -38.3 -57.7 -50.0 -63.2 107 138 A A H 3< S+ 0 0 42 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.802 108.4 46.4 -63.9 -28.3 -60.6 -52.3 -64.2 108 139 A C H X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.7 -2,-0.2 0.877 109.9 53.3 -78.1 -40.6 -59.3 -54.7 -61.6 109 140 A F H >< S+ 0 0 51 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.856 103.8 55.8 -61.3 -37.6 -58.9 -52.0 -59.0 110 141 A S T 3< S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.431 105.5 54.3 -78.6 2.5 -62.5 -50.8 -59.5 111 142 A R T X + 0 0 89 -3,-1.4 3,-2.5 -5,-0.1 -1,-0.3 -0.053 66.9 128.2-118.1 26.7 -63.6 -54.4 -58.7 112 143 A S T < > + 0 0 35 -3,-1.4 5,-0.7 1,-0.3 3,-0.3 0.484 59.7 74.7 -65.0 -1.9 -61.7 -54.5 -55.4 113 144 A R T 3 5S+ 0 0 75 1,-0.2 89,-1.9 -3,-0.1 -1,-0.3 0.689 89.9 58.6 -79.4 -18.8 -64.9 -55.7 -53.8 114 145 A E T < 5S+ 0 0 71 -3,-2.5 2,-0.2 87,-0.2 -1,-0.2 0.535 118.0 18.5 -90.3 -10.2 -64.3 -59.1 -55.4 115 146 A Y T 5S- 0 0 23 -3,-0.3 2,-0.9 -4,-0.3 87,-0.1 -0.759 95.3 -79.3-141.1-167.2 -61.0 -59.6 -53.7 116 147 A Q T 5 + 0 0 87 -2,-0.2 2,-0.4 -64,-0.1 -3,-0.1 -0.746 51.8 167.3-106.5 87.2 -58.9 -58.3 -50.8 117 148 A L < - 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0 0 0 182,-0.3 4,-0.2 -2,-0.2 184,-0.1 -0.379 67.0 -60.4 123.8 155.4 -67.7 -69.6 -1.9 645 41 C A S > S- 0 0 14 182,-0.4 3,-0.6 -2,-0.2 5,-0.3 0.171 70.5 -67.9 -62.3 179.6 -71.3 -70.1 -0.8 646 42 C G T 3 S+ 0 0 2 683,-1.3 -1,-0.1 1,-0.2 685,-0.1 -0.356 118.1 20.4 -69.1 150.2 -72.9 -68.6 2.3 647 43 C E T 3 S+ 0 0 34 683,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.872 88.4 122.0 61.9 39.7 -71.7 -69.7 5.7 648 44 C S S < S- 0 0 3 -3,-0.6 180,-0.2 -4,-0.2 223,-0.1 0.604 87.0 -92.9-109.3 -17.8 -68.4 -70.9 4.3 649 45 C G S > S+ 0 0 7 -4,-0.1 4,-3.3 178,-0.1 5,-0.2 0.361 82.5 127.3 125.1 -3.0 -65.9 -68.8 6.2 650 46 C K H > S+ 0 0 5 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.935 81.3 37.9 -50.2 -64.9 -65.3 -65.8 4.0 651 47 C S H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 116.8 55.5 -54.1 -41.3 -66.0 -63.0 6.6 652 48 C T H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 106.1 49.2 -58.6 -47.5 -64.3 -65.2 9.2 653 49 C I H X S+ 0 0 4 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.883 109.3 53.5 -61.1 -39.0 -61.1 -65.4 7.1 654 50 C V H X S+ 0 0 13 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.956 109.6 47.4 -58.5 -51.6 -61.2 -61.6 6.7 655 51 C K H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.881 109.7 53.5 -54.6 -44.7 -61.4 -61.2 10.5 656 52 C Q H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.898 105.6 53.6 -58.1 -42.3 -58.5 -63.7 10.9 657 53 C M H X>S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.8 0.853 109.2 50.1 -60.6 -36.7 -56.5 -61.6 8.5 658 54 C K H X5S+ 0 0 7 -4,-1.8 4,-1.4 3,-0.2 6,-0.7 0.953 111.2 47.3 -62.5 -52.3 -57.2 -58.6 10.7 659 55 C I H <5S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.823 122.4 34.9 -59.6 -33.6 -56.1 -60.5 13.9 660 56 C I H <5S+ 0 0 32 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 130.6 23.4 -92.2 -45.7 -52.9 -61.8 12.3 661 57 C H H <5S+ 0 0 36 -4,-2.4 133,-0.4 -5,-0.3 -3,-0.2 0.683 118.3 53.7-106.0 -22.3 -51.7 -59.1 10.0 662 58 C E S < - 0 0 51 -2,-0.4 4,-2.8 1,-0.1 3,-0.5 -0.413 27.6-108.5 -79.6 154.9 -58.9 -52.5 20.0 667 63 C E H > S+ 0 0 55 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.770 120.9 58.3 -54.4 -30.1 -60.9 -52.6 23.3 668 64 C D H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.948 110.3 42.0 -59.8 -51.0 -63.2 -49.9 21.9 669 65 C E H > S+ 0 0 73 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.902 111.8 53.7 -65.5 -45.5 -64.0 -52.2 19.0 670 66 C C H < S+ 0 0 9 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.891 108.4 52.3 -54.8 -41.8 -64.4 -55.2 21.2 671 67 C K H >< S+ 0 0 125 -4,-2.1 3,-1.5 -5,-0.2 4,-0.5 0.916 104.4 55.4 -58.1 -47.1 -66.8 -53.1 23.3 672 68 C Q H 3< S+ 0 0 91 -4,-2.0 4,-0.5 1,-0.3 3,-0.3 0.840 105.9 52.5 -56.3 -35.0 -68.8 -52.3 20.1 673 69 C Y T 3X S+ 0 0 44 -4,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.503 84.5 89.1 -82.0 -6.3 -69.3 -56.0 19.4 674 70 C K H <> S+ 0 0 44 -3,-1.5 4,-2.4 -4,-0.4 5,-0.2 0.961 88.7 46.4 -54.0 -58.0 -70.6 -56.8 22.9 675 71 C V H > S+ 0 0 47 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.877 111.7 54.2 -52.8 -41.7 -74.3 -56.2 22.0 676 72 C V H > S+ 0 0 3 -4,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.920 106.3 51.0 -58.8 -49.0 -73.7 -58.3 18.9 677 73 C V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.953 111.5 46.9 -52.7 -54.7 -72.4 -61.2 20.9 678 74 C Y H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.911 113.2 50.9 -56.0 -44.2 -75.4 -61.1 23.2 679 75 C S H X S+ 0 0 15 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.983 109.7 47.0 -55.9 -63.4 -77.7 -60.9 20.1 680 76 C N H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.820 111.4 53.5 -50.4 -39.0 -76.1 -63.8 18.3 681 77 C T H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.3 0.953 112.2 44.3 -58.6 -51.6 -76.3 -65.9 21.5 682 78 C I H X S+ 0 0 21 -4,-2.5 4,-2.8 -3,-0.3 -2,-0.2 0.936 113.5 48.1 -60.0 -52.0 -80.0 -65.1 21.8 683 79 C Q H X S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.825 111.1 55.1 -61.1 -32.1 -80.9 -65.7 18.1 684 80 C S H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.987 111.3 39.9 -61.9 -62.0 -79.0 -69.0 18.4 685 81 C I H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 116.2 52.8 -59.0 -39.7 -80.9 -70.4 21.4 686 82 C I H X S+ 0 0 60 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.949 108.3 50.1 -55.0 -53.0 -84.2 -69.0 19.9 687 83 C A H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.897 110.7 49.7 -56.2 -44.1 -83.5 -70.8 16.6 688 84 C I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 111.7 49.7 -58.9 -44.9 -82.8 -74.0 18.4 689 85 C I H X S+ 0 0 44 -4,-2.4 4,-1.8 2,-0.2 3,-0.3 0.949 110.3 46.3 -64.4 -54.3 -86.1 -73.6 20.4 690 86 C R H X S+ 0 0 168 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.857 109.8 59.2 -53.0 -35.6 -88.3 -72.9 17.4 691 87 C A H X S+ 0 0 9 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.906 102.6 49.2 -61.3 -42.1 -86.5 -75.9 15.8 692 88 C M H X>S+ 0 0 7 -4,-1.9 5,-1.4 -3,-0.3 4,-1.1 0.824 107.1 60.1 -63.0 -32.0 -87.7 -78.1 18.7 693 89 C G H ><5S+ 0 0 58 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.978 108.8 39.5 -52.1 -61.7 -91.0 -76.6 17.9 694 90 C R H 3<5S+ 0 0 225 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.777 118.4 49.7 -61.8 -28.1 -90.9 -78.0 14.3 695 91 C L H 3<5S- 0 0 37 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.548 102.8-127.5 -92.0 -7.6 -89.4 -81.3 15.5 696 92 C K T <<5 + 0 0 88 -4,-1.1 2,-0.5 -3,-1.0 -3,-0.2 0.995 44.9 170.2 55.3 69.4 -91.9 -82.0 18.3 697 93 C I < - 0 0 26 -5,-1.4 2,-0.3 43,-0.0 -1,-0.2 -0.953 27.5-137.3-118.7 123.3 -89.2 -82.5 21.0 698 94 C D - 0 0 147 -2,-0.5 4,-0.0 1,-0.1 3,-0.0 -0.557 22.7-117.3 -82.2 139.3 -90.2 -82.8 24.7 699 95 C F - 0 0 68 -2,-0.3 3,-0.3 40,-0.1 -1,-0.1 -0.215 14.1-127.1 -65.5 160.1 -88.1 -81.0 27.2 700 96 C G S S+ 0 0 60 1,-0.3 2,-0.8 2,-0.0 -1,-0.1 0.975 109.0 27.7 -70.4 -61.9 -86.1 -83.0 29.9 701 97 C E S > S- 0 0 62 1,-0.1 3,-0.8 -3,-0.0 -1,-0.3 -0.902 79.1-159.3 -98.3 105.9 -87.7 -81.0 32.7 702 98 C A G > S+ 0 0 82 -2,-0.8 3,-0.6 -3,-0.3 4,-0.2 0.586 80.4 77.3 -60.9 -11.4 -91.1 -79.8 31.3 703 99 C A G > S+ 0 0 84 1,-0.2 3,-1.1 2,-0.1 4,-0.3 0.951 83.6 58.0 -63.9 -53.3 -91.1 -77.0 33.9 704 100 C R G X> S+ 0 0 98 -3,-0.8 3,-0.8 1,-0.2 4,-0.7 0.588 80.0 93.3 -58.4 -13.4 -88.6 -74.7 32.2 705 101 C A H X> S+ 0 0 31 -3,-0.6 3,-1.2 -4,-0.3 4,-0.9 0.847 77.5 57.4 -52.7 -40.3 -90.7 -74.4 29.0 706 102 C D H X> S+ 0 0 136 -3,-1.1 4,-1.9 1,-0.3 3,-0.6 0.874 97.1 61.7 -63.5 -37.7 -92.7 -71.3 30.0 707 103 C D H <> S+ 0 0 20 -3,-0.8 4,-3.8 -4,-0.3 -1,-0.3 0.786 92.9 67.2 -58.7 -29.8 -89.5 -69.2 30.5 708 104 C A H < S+ 0 0 121 -4,-2.0 3,-1.1 -6,-0.2 -2,-0.2 0.899 114.6 47.9 -78.7 -48.8 -90.6 -61.8 25.6 714 110 C L H >< S+ 0 0 29 -4,-4.2 3,-1.7 1,-0.2 -2,-0.2 0.435 86.8 100.3 -69.8 0.7 -87.3 -60.8 27.3 715 111 C A G >< S+ 0 0 30 -4,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.800 71.5 59.9 -57.4 -34.0 -85.7 -61.2 23.8 716 112 C G G < S+ 0 0 70 -3,-1.1 -1,-0.3 1,-0.2 4,-0.3 0.305 79.9 92.5 -81.7 13.1 -85.8 -57.4 23.3 717 113 C S G < S+ 0 0 40 -3,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.198 77.0 59.0 -92.0 15.6 -83.6 -56.8 26.3 718 114 C A S < S+ 0 0 4 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.1 0.751 74.6 86.3-111.5 -35.6 -80.3 -56.9 24.4 719 115 C E S S+ 0 0 85 1,-0.3 -2,-0.1 -3,-0.2 -44,-0.1 0.786 99.1 39.3 -38.8 -48.5 -80.5 -54.0 21.8 720 116 C E S S- 0 0 111 -4,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.935 126.0 -91.4 -69.5 -49.1 -79.3 -51.4 24.3 721 117 C G S S+ 0 0 21 1,-0.3 -1,-0.1 -4,-0.2 -43,-0.0 -0.634 85.2 61.3 177.8-119.3 -76.7 -53.6 25.9 722 118 C V - 0 0 67 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 -0.107 61.5-131.4 -46.0 129.6 -76.5 -56.0 28.9 723 119 C M - 0 0 18 1,-0.1 -5,-0.1 -5,-0.0 -1,-0.1 -0.656 37.4-100.4 -76.2 138.7 -78.7 -59.1 29.0 724 120 C T >> - 0 0 43 -2,-0.3 4,-2.0 -10,-0.2 3,-0.6 -0.361 20.3-129.0 -60.5 133.9 -80.4 -59.5 32.4 725 121 C P H 3> S+ 0 0 94 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.736 114.3 61.5 -57.7 -22.5 -78.7 -62.0 34.8 726 122 C E H 3> S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.920 104.0 47.9 -61.0 -46.7 -82.2 -63.4 35.1 727 123 C L H <> S+ 0 0 8 -3,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.861 104.9 58.4 -63.4 -41.1 -82.0 -64.0 31.4 728 124 C A H X S+ 0 0 21 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.871 108.1 47.1 -53.7 -37.7 -78.5 -65.6 31.8 729 125 C G H X S+ 0 0 33 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.830 110.1 52.8 -76.4 -28.4 -80.2 -68.1 34.2 730 126 C V H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 112.9 44.7 -66.3 -49.8 -83.0 -68.7 31.7 731 127 C I H X S+ 0 0 17 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.961 113.4 47.4 -59.9 -58.3 -80.4 -69.4 29.0 732 128 C K H X S+ 0 0 86 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.857 112.6 51.8 -54.9 -35.2 -78.2 -71.7 31.1 733 129 C R H < S+ 0 0 16 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.905 113.9 42.4 -67.7 -41.2 -81.3 -73.5 32.2 734 130 C L H >< S+ 0 0 12 -4,-2.2 3,-0.8 -3,-0.2 6,-0.2 0.886 113.6 51.7 -70.1 -40.4 -82.5 -74.1 28.7 735 131 C W H 3< S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.688 106.0 56.7 -70.0 -22.0 -79.0 -75.0 27.4 736 132 C R T 3< S+ 0 0 175 -4,-1.1 2,-0.4 -5,-0.3 -1,-0.2 0.666 81.1 111.3 -80.8 -17.6 -78.8 -77.5 30.2 737 133 C D <> - 0 0 16 -3,-0.8 4,-3.2 -4,-0.5 5,-0.2 -0.431 61.0-151.3 -68.8 116.9 -81.9 -79.3 29.0 738 134 C G H > S+ 0 0 52 -2,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.664 99.0 53.7 -60.7 -18.7 -81.1 -82.7 27.6 739 135 C G H > S+ 0 0 8 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.858 110.1 46.0 -80.5 -41.0 -84.2 -82.4 25.3 740 136 C V H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 3,-0.4 0.915 114.3 48.6 -63.1 -45.4 -82.9 -79.1 24.0 741 137 C Q H X S+ 0 0 59 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.874 106.4 57.1 -59.5 -39.4 -79.5 -80.7 23.7 742 138 C A H < S+ 0 0 43 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.774 108.5 47.3 -63.7 -26.9 -81.2 -83.6 21.9 743 139 C C H >< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.4 -2,-0.2 0.864 108.5 54.3 -77.4 -40.3 -82.5 -81.0 19.5 744 140 C F H >< S+ 0 0 52 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.839 100.5 59.5 -61.3 -35.9 -79.1 -79.4 19.1 745 141 C S T 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.424 101.5 56.8 -76.9 3.7 -77.6 -82.8 18.1 746 142 C R T X + 0 0 88 -3,-1.5 3,-2.4 -5,-0.1 4,-0.3 -0.063 65.5 129.5-117.5 27.5 -80.0 -82.8 15.2 747 143 C S T < > + 0 0 48 -3,-1.4 5,-0.7 1,-0.3 3,-0.3 0.527 61.0 71.7 -64.2 -5.0 -78.8 -79.5 13.8 748 144 C R T 3 5S+ 0 0 85 1,-0.2 88,-2.0 -3,-0.1 -1,-0.3 0.639 89.9 60.4 -81.1 -16.9 -78.4 -81.2 10.4 749 145 C E T < 5S+ 0 0 73 -3,-2.4 2,-0.2 86,-0.2 -1,-0.2 0.557 116.2 19.4 -90.0 -10.8 -82.2 -81.3 10.1 750 146 C Y T 5S- 0 0 40 -3,-0.3 2,-1.0 -4,-0.3 86,-0.1 -0.737 96.3 -76.3-140.3-166.4 -82.5 -77.5 10.3 751 147 C Q T 5 + 0 0 111 -2,-0.2 2,-0.4 -64,-0.1 -3,-0.1 -0.761 55.4 168.2-103.0 87.0 -80.6 -74.2 9.9 752 148 C L < - 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0 0 0 179,-0.3 4,-0.1 -2,-0.2 181,-0.1 -0.370 67.4 -63.3 123.5 154.3 -46.2 -104.5 12.3 966 41 D A > - 0 0 11 179,-0.5 3,-0.7 -2,-0.2 5,-0.3 0.128 67.6 -71.3 -63.6 179.0 -42.6 -103.4 12.6 967 42 D G T 3 S+ 0 0 6 385,-1.0 -1,-0.1 1,-0.2 387,-0.1 -0.391 118.3 23.7 -69.5 151.0 -40.8 -102.3 15.7 968 43 D E T 3 S+ 0 0 33 385,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.835 88.1 118.1 63.7 37.0 -41.8 -98.9 17.1 969 44 D S S < S- 0 0 3 -3,-0.7 177,-0.2 -4,-0.1 221,-0.2 0.604 88.8 -94.8-110.0 -18.2 -45.2 -99.1 15.5 970 45 D G S > S+ 0 0 10 -4,-0.1 4,-2.9 175,-0.1 5,-0.2 0.348 80.5 129.0 124.6 -3.5 -47.5 -99.0 18.5 971 46 D K H > S+ 0 0 3 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.911 79.3 40.2 -48.8 -63.7 -48.2 -102.7 19.2 972 47 D S H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 115.2 54.9 -53.7 -42.3 -47.4 -102.8 22.9 973 48 D T H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 106.4 50.1 -59.1 -45.2 -49.0 -99.4 23.3 974 49 D I H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.900 108.9 53.3 -60.8 -39.7 -52.2 -100.8 21.8 975 50 D V H X S+ 0 0 13 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.951 108.8 48.6 -58.1 -51.3 -52.0 -103.7 24.2 976 51 D K H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.884 109.2 53.5 -54.0 -44.8 -51.8 -101.3 27.2 977 52 D Q H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.893 104.9 54.1 -58.1 -42.0 -54.7 -99.3 25.8 978 53 D M H X>S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-1.0 0.861 109.5 49.7 -60.4 -36.9 -56.8 -102.6 25.7 979 54 D K H X5S+ 0 0 8 -4,-1.8 4,-1.1 3,-0.2 6,-0.9 0.957 110.4 48.5 -62.4 -52.4 -55.8 -102.9 29.4 980 55 D I H <5S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 123.2 32.0 -59.0 -33.7 -56.9 -99.4 30.2 981 56 D I H <5S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 132.4 21.6 -94.2 -47.0 -60.3 -99.7 28.5 982 57 D H H <5S+ 0 0 38 -4,-2.3 133,-0.5 -5,-0.3 -3,-0.2 0.687 118.1 55.4-106.5 -22.7 -61.4 -103.3 28.7 983 58 D E S <> - 0 0 53 -2,-0.5 4,-2.1 1,-0.1 3,-0.7 -0.443 28.9-109.3 -79.3 153.6 -54.0 -99.8 39.7 988 63 D E H 3> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.758 118.0 63.7 -54.7 -28.2 -51.9 -97.2 41.5 989 64 D D H 3> S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 105.9 41.2 -58.0 -51.9 -49.6 -100.1 42.7 990 65 D E H <> S+ 0 0 74 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.911 111.4 56.1 -66.0 -43.7 -48.6 -101.0 39.1 991 66 D C H < S+ 0 0 8 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.893 106.7 52.3 -53.0 -41.4 -48.2 -97.3 38.2 992 67 D K H >< S+ 0 0 107 -4,-2.0 3,-1.6 -5,-0.2 4,-0.4 0.927 105.3 54.7 -58.2 -47.5 -45.9 -97.2 41.2 993 68 D Q H 3< S+ 0 0 131 -4,-1.9 4,-0.5 1,-0.3 3,-0.4 0.840 102.7 56.9 -56.6 -34.4 -43.9 -100.1 39.7 994 69 D Y T 3X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.518 81.0 92.0 -78.7 -4.9 -43.4 -98.2 36.4 995 70 D K H <> S+ 0 0 63 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 0.937 86.2 46.1 -53.1 -57.8 -41.7 -95.2 38.1 996 71 D V H > S+ 0 0 54 -3,-0.4 4,-2.6 -4,-0.4 -1,-0.2 0.893 111.6 54.4 -54.1 -42.3 -38.1 -96.5 37.7 997 72 D V H > S+ 0 0 12 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.930 107.3 50.1 -58.1 -49.7 -38.9 -97.4 34.1 998 73 D V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.948 111.3 47.6 -52.4 -54.9 -40.1 -93.8 33.4 999 74 D Y H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.902 112.2 50.5 -56.4 -44.0 -36.9 -92.3 34.9 1000 75 D S H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.984 109.5 49.1 -56.0 -61.2 -34.8 -94.7 32.9 1001 76 D N H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.821 110.2 53.0 -50.1 -38.6 -36.5 -93.9 29.6 1002 77 D T H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.3 0.955 111.9 45.4 -59.0 -51.1 -36.1 -90.2 30.4 1003 78 D I H X S+ 0 0 22 -4,-2.4 4,-2.8 -3,-0.3 -2,-0.2 0.946 113.1 47.4 -58.9 -53.3 -32.3 -90.7 31.0 1004 79 D Q H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.818 111.0 55.7 -61.3 -31.4 -31.7 -92.9 27.9 1005 80 D S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.984 110.9 40.1 -62.0 -61.0 -33.7 -90.3 25.9 1006 81 D I H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.894 115.7 53.7 -59.0 -39.1 -31.6 -87.3 26.8 1007 82 D I H X S+ 0 0 28 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.954 107.3 50.6 -54.6 -53.2 -28.4 -89.5 26.5 1008 83 D A H X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.893 110.5 49.5 -56.1 -44.4 -29.4 -90.5 23.0 1009 84 D I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.931 112.6 47.4 -59.2 -45.9 -29.9 -86.9 22.0 1010 85 D I H X S+ 0 0 23 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.949 111.4 48.3 -64.7 -52.4 -26.6 -85.9 23.4 1011 86 D R H X S+ 0 0 150 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.858 109.3 57.3 -51.4 -38.2 -24.6 -88.7 21.8 1012 87 D A H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.895 103.9 49.3 -62.3 -42.1 -26.4 -87.7 18.6 1013 88 D M H X>S+ 0 0 5 -4,-1.9 5,-1.9 -3,-0.3 4,-0.8 0.835 108.1 59.5 -63.0 -32.8 -25.0 -84.2 18.9 1014 89 D G H ><5S+ 0 0 56 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.981 110.3 36.9 -52.6 -63.9 -21.7 -86.0 19.3 1015 90 D R H 3<5S+ 0 0 231 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 120.2 49.1 -63.3 -27.2 -21.9 -87.7 16.0 1016 91 D L H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.504 106.7-126.7 -92.2 -6.4 -23.5 -84.7 14.3 1017 92 D K T <<5 + 0 0 85 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.2 0.988 46.1 166.1 55.7 69.1 -20.9 -82.3 15.7 1018 93 D I < - 0 0 28 -5,-1.9 2,-0.2 43,-0.0 -1,-0.2 -0.965 27.7-139.9-119.8 122.8 -23.3 -79.8 17.3 1019 94 D D - 0 0 147 -2,-0.5 4,-0.0 1,-0.1 -5,-0.0 -0.557 22.2-113.4 -83.9 142.4 -22.1 -77.2 19.8 1020 95 D F - 0 0 55 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.182 15.5-126.4 -64.1 161.1 -24.2 -76.3 22.9 1021 96 D G S S+ 0 0 51 1,-0.3 2,-0.7 2,-0.0 -1,-0.1 0.966 108.3 33.2 -70.5 -59.6 -25.8 -72.9 23.3 1022 97 D E S > S- 0 0 132 1,-0.1 3,-1.2 -3,-0.0 -1,-0.3 -0.897 81.4-152.0 -96.8 109.1 -24.1 -72.4 26.7 1023 98 D A G > S+ 0 0 86 -2,-0.7 3,-0.8 1,-0.3 4,-0.2 0.582 85.6 75.9 -58.7 -11.7 -20.7 -74.1 26.4 1024 99 D A G > S+ 0 0 54 1,-0.2 3,-2.5 2,-0.1 4,-0.4 0.934 77.6 69.9 -63.7 -47.9 -20.8 -74.8 30.2 1025 100 D R G <> S+ 0 0 96 -3,-1.2 4,-1.6 1,-0.3 3,-0.2 0.635 75.9 86.4 -52.3 -16.0 -23.4 -77.6 30.1 1026 101 D A H <> S+ 0 0 47 -3,-0.8 4,-1.3 -4,-0.2 -1,-0.3 0.832 86.4 53.6 -53.5 -36.7 -20.7 -79.8 28.5 1027 102 D D H <> S+ 0 0 126 -3,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 102.0 55.8 -68.3 -41.5 -19.5 -80.7 32.0 1028 103 D D H > S+ 0 0 31 -4,-0.4 4,-3.6 1,-0.2 -1,-0.2 0.842 100.3 61.4 -60.0 -32.4 -22.9 -81.8 33.1 1029 104 D A H X S+ 0 0 16 -4,-1.6 4,-2.5 2,-0.3 -1,-0.2 0.964 106.9 43.5 -54.6 -53.7 -23.0 -84.2 30.2 1030 105 D R H X S+ 0 0 61 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.897 117.6 46.9 -55.9 -42.0 -19.9 -85.9 31.7 1031 106 D Q H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -2,-0.3 0.809 108.3 56.6 -69.5 -32.6 -21.7 -85.7 35.0 1032 107 D L H X S+ 0 0 24 -4,-3.6 4,-0.9 2,-0.2 -2,-0.2 0.975 102.5 52.7 -63.1 -54.6 -24.9 -87.0 33.5 1033 108 D F H < S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 113.5 47.7 -50.1 -30.0 -23.2 -90.2 32.2 1034 109 D V H >< S+ 0 0 119 -4,-0.8 3,-0.9 -5,-0.2 4,-0.3 0.928 108.9 49.0 -77.8 -49.8 -22.0 -90.6 35.8 1035 110 D L H >< S+ 0 0 28 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.500 84.3 103.2 -69.5 -0.2 -25.3 -90.0 37.6 1036 111 D A T 3< S+ 0 0 36 -4,-0.9 3,-0.5 1,-0.3 -1,-0.2 0.776 79.1 46.3 -55.6 -35.1 -26.9 -92.5 35.2 1037 112 D G T X S+ 0 0 57 -3,-0.9 3,-2.3 1,-0.2 2,-0.5 0.798 87.3 87.0 -79.7 -25.9 -27.1 -95.3 37.7 1038 113 D S T < S+ 0 0 63 -3,-0.8 4,-0.4 1,-0.3 7,-0.2 0.332 81.3 67.5 -62.0 16.1 -28.5 -93.1 40.5 1039 114 D A T 3> + 0 0 3 -2,-0.5 4,-0.5 -3,-0.5 -1,-0.3 0.721 67.1 90.9-105.9 -33.0 -31.9 -94.0 39.0 1040 115 D E T <4 S+ 0 0 82 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.815 104.7 25.2 -38.4 -52.0 -32.2 -97.7 39.8 1041 116 D E T 4 S- 0 0 103 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.950 140.7 -47.6 -76.8 -55.7 -33.9 -97.0 43.1 1042 117 D G T 4 - 0 0 32 -4,-0.4 2,-2.9 -46,-0.1 3,-0.2 -0.293 38.6-148.7 173.2 96.4 -35.4 -93.6 42.4 1043 118 D V < + 0 0 11 -4,-0.5 -4,-0.1 1,-0.2 6,-0.1 -0.240 46.8 139.6 -70.8 55.9 -33.8 -90.5 40.9 1044 119 D M + 0 0 25 -2,-2.9 -1,-0.2 46,-0.1 46,-0.1 0.439 31.9 134.1 -74.8 3.4 -35.9 -88.0 42.9 1045 120 D T > - 0 0 39 -7,-0.2 4,-1.6 -3,-0.2 3,-0.4 -0.384 50.3-155.9 -60.1 116.6 -32.6 -86.1 43.1 1046 121 D P H > S+ 0 0 107 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.698 92.8 65.5 -64.4 -24.1 -33.2 -82.4 42.3 1047 122 D E H > S+ 0 0 159 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.922 102.7 45.3 -62.6 -46.6 -29.5 -82.2 41.3 1048 123 D L H >> S+ 0 0 14 -3,-0.4 4,-2.9 1,-0.2 3,-0.5 0.910 111.1 52.3 -64.5 -44.9 -30.1 -84.5 38.4 1049 124 D A H 3X S+ 0 0 21 -4,-1.6 4,-2.4 1,-0.2 5,-0.4 0.842 106.9 55.3 -54.1 -34.8 -33.2 -82.6 37.5 1050 125 D G H 3< S+ 0 0 49 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.754 110.3 45.1 -73.6 -25.9 -31.0 -79.5 37.6 1051 126 D V H S+ 0 0 26 -4,-0.4 4,-0.6 -5,-0.4 -1,-0.3 0.890 111.9 44.9 -68.2 -41.3 -30.7 -77.3 31.9 1055 130 D L H >< S+ 0 0 11 -4,-1.9 3,-0.7 -3,-0.4 6,-0.2 0.894 111.9 52.7 -68.8 -39.4 -29.7 -79.6 29.1 1056 131 D W H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.720 106.4 53.9 -69.1 -24.2 -33.3 -79.7 27.7 1057 132 D R H 3< S+ 0 0 193 -4,-1.2 2,-0.4 -5,-0.3 -1,-0.2 0.676 81.9 111.4 -81.6 -16.6 -33.4 -75.9 27.7 1058 133 D D S+ 0 0 51 -2,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.652 99.0 55.3 -59.4 -17.8 -31.2 -74.3 22.2 1060 135 D G H > S+ 0 0 10 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.870 108.6 46.3 -80.1 -41.3 -28.4 -76.4 20.7 1061 136 D V H > S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.2 -2,-0.2 0.913 114.9 47.9 -63.5 -45.1 -29.8 -79.5 22.2 1062 137 D Q H X S+ 0 0 59 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.871 106.9 56.9 -59.6 -39.5 -33.2 -78.5 21.0 1063 138 D A H < S+ 0 0 43 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.808 110.1 45.2 -63.8 -28.7 -31.6 -77.8 17.6 1064 139 D C H >< S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.2 -2,-0.2 0.868 108.9 55.8 -78.2 -39.5 -30.4 -81.4 17.6 1065 140 D F H >< S+ 0 0 47 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.850 100.7 57.8 -60.5 -36.4 -33.8 -82.6 18.8 1066 141 D S T 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.420 103.2 56.7 -76.9 4.2 -35.5 -81.0 15.8 1067 142 D R T X + 0 0 81 -3,-1.7 3,-2.5 -5,-0.1 4,-0.3 -0.038 66.0 127.3-117.4 25.9 -33.2 -83.1 13.7 1068 143 D S T < > + 0 0 39 -3,-1.5 5,-0.7 1,-0.3 3,-0.2 0.519 61.9 71.3 -65.0 -4.4 -34.4 -86.4 15.3 1069 144 D R T 3 5S+ 0 0 82 1,-0.2 85,-1.9 -3,-0.1 -1,-0.3 0.628 91.1 59.6 -81.5 -16.8 -35.0 -87.7 11.8 1070 145 D E T < 5S+ 0 0 74 -3,-2.5 2,-0.2 83,-0.1 -1,-0.2 0.560 116.6 19.7 -90.8 -11.2 -31.2 -87.9 11.3 1071 146 D Y T 5S- 0 0 37 -4,-0.3 2,-1.0 -3,-0.2 83,-0.1 -0.737 96.1 -76.6-140.7-166.7 -30.8 -90.3 14.2 1072 147 D Q T 5 + 0 0 126 -2,-0.2 2,-0.3 -64,-0.1 -3,-0.1 -0.706 56.1 166.3-104.5 84.7 -32.6 -92.8 16.4 1073 148 D L < - 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