==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-FEB-11 3QS8 . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CASTELL,F.L.SHORT,J.S.LOTT,TB STRUCTURAL GENOMICS CONSORTI . 1384 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 970 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 4.9 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 . 4 0.3 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 . 73 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 549 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.5 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 8 0 0 3 1 4 12 8 4 0 12 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 25 A P 0 0 112 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 148.2 32.6 -3.4 29.5 2 26 A S > - 0 0 45 1,-0.1 4,-2.8 0, 0.0 5,-0.2 -0.981 360.0-111.4-153.4 162.4 31.7 -4.8 32.9 3 27 A W H > S+ 0 0 18 -2,-0.3 4,-2.9 2,-0.2 5,-0.5 0.912 118.5 53.4 -61.7 -44.9 29.0 -4.6 35.6 4 28 A P H > S+ 0 0 109 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.929 113.0 45.0 -57.0 -40.7 31.4 -2.8 38.0 5 29 A Q H > S+ 0 0 96 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.948 119.5 39.2 -66.0 -50.0 32.1 -0.2 35.2 6 30 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -3,-0.2 0.949 118.7 45.2 -68.4 -50.0 28.4 0.3 34.2 7 31 A L H X S+ 0 0 35 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.855 112.7 53.6 -61.2 -35.3 26.9 0.2 37.7 8 32 A G H X S+ 0 0 25 -4,-1.7 4,-1.4 -5,-0.5 -1,-0.2 0.895 107.2 50.3 -64.2 -43.7 29.6 2.5 39.0 9 33 A R H <>S+ 0 0 64 -4,-1.8 5,-1.9 2,-0.2 -2,-0.2 0.933 113.0 46.6 -62.8 -43.0 28.9 5.1 36.3 10 34 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.901 110.6 50.4 -65.9 -41.8 25.1 5.0 37.1 11 35 A T H 3<5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.738 104.6 59.6 -73.5 -18.2 25.7 5.3 40.9 12 36 A D T 3<5S- 0 0 109 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.387 119.7-117.0 -79.2 1.9 28.0 8.3 40.1 13 37 A N T < 5 + 0 0 111 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.855 68.4 137.4 65.6 38.5 24.9 9.8 38.5 14 38 A R < - 0 0 120 -5,-1.9 -1,-0.2 1,-0.0 -2,-0.1 -0.893 58.7-108.2-115.2 140.9 26.3 9.9 35.1 15 39 A D - 0 0 88 -2,-0.4 2,-0.0 1,-0.1 30,-0.0 -0.337 45.1-104.4 -54.2 143.6 24.7 9.0 31.7 16 40 A L - 0 0 19 1,-0.1 2,-0.2 -6,-0.0 -1,-0.1 -0.359 32.1-106.8 -67.9 152.8 26.1 5.8 30.2 17 41 A A > - 0 0 37 1,-0.1 3,-2.1 -2,-0.0 4,-0.5 -0.537 56.7 -77.4 -70.0 151.9 28.6 5.9 27.2 18 42 A R T 3 S+ 0 0 215 1,-0.3 -1,-0.1 -2,-0.2 36,-0.0 -0.255 120.7 19.8 -53.8 136.4 27.0 4.8 23.9 19 43 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.8 1,-0.0 -1,-0.3 0.167 95.0 100.8 85.0 -18.1 26.6 1.0 23.8 20 44 A Q H <> S+ 0 0 18 -3,-2.1 4,-2.5 2,-0.2 5,-0.2 0.942 84.9 45.5 -64.8 -46.4 26.8 0.5 27.6 21 45 A A H > S+ 0 0 0 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.920 113.8 50.9 -58.9 -43.6 23.0 0.1 28.1 22 46 A A H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.941 109.5 50.4 -59.7 -48.8 23.0 -2.2 25.0 23 47 A W H X S+ 0 0 63 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.930 112.9 46.3 -51.7 -49.2 25.8 -4.3 26.5 24 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.943 113.1 47.2 -64.5 -46.0 24.0 -4.6 29.8 25 49 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.899 111.5 52.6 -64.9 -38.4 20.6 -5.5 28.3 26 50 A D H X S+ 0 0 56 -4,-2.4 4,-1.4 -5,-0.3 6,-0.3 0.929 107.7 50.2 -64.0 -43.9 22.2 -8.1 26.1 27 51 A Q H <>S+ 0 0 42 -4,-2.4 5,-2.1 1,-0.2 6,-0.7 0.941 114.4 46.4 -53.9 -48.0 24.0 -9.7 29.1 28 52 A I H ><5S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.866 112.1 49.8 -62.0 -39.4 20.5 -9.8 30.8 29 53 A M H 3<5S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.653 108.4 52.7 -77.4 -16.3 18.8 -11.2 27.6 30 54 A T T 3<5S- 0 0 61 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.314 115.3-109.1-102.9 10.9 21.3 -14.0 27.1 31 55 A G T < 5S+ 0 0 43 -3,-0.9 -3,-0.2 130,-0.3 -2,-0.1 0.674 88.6 116.3 69.8 19.5 21.1 -15.4 30.7 32 56 A N < + 0 0 101 -5,-2.1 2,-0.4 -6,-0.3 -4,-0.2 0.550 51.0 85.2 -93.6 -5.8 24.5 -14.2 31.5 33 57 A A S S- 0 0 13 -6,-0.7 -2,-0.0 -5,-0.2 -9,-0.0 -0.804 76.0-126.4-102.6 134.1 23.5 -11.7 34.3 34 58 A R >> - 0 0 179 -2,-0.4 4,-2.5 1,-0.1 3,-0.9 -0.476 29.4-112.2 -69.9 147.8 23.0 -12.7 38.0 35 59 A P H 3> S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 120.3 56.1 -44.8 -40.5 19.6 -11.7 39.4 36 60 A A H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 108.2 45.2 -62.0 -39.5 21.6 -9.2 41.7 37 61 A Q H <> S+ 0 0 56 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.893 111.5 52.6 -70.1 -42.9 23.2 -7.5 38.7 38 62 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.951 114.6 42.8 -55.2 -50.8 19.8 -7.3 36.8 39 63 A A H X S+ 0 0 21 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.920 112.3 51.8 -66.6 -42.9 18.2 -5.7 39.8 40 64 A A H X S+ 0 0 42 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.910 112.8 46.8 -60.9 -40.1 21.1 -3.4 40.5 41 65 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.936 111.2 49.3 -66.0 -49.0 21.1 -2.2 36.9 42 66 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 135,-0.7 0.940 116.8 42.9 -57.5 -46.9 17.3 -1.6 36.6 43 67 A V H X S+ 0 0 55 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.931 114.8 47.6 -63.3 -50.3 17.3 0.4 39.9 44 68 A A H X S+ 0 0 14 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.887 111.1 52.3 -63.1 -41.1 20.5 2.5 39.2 45 69 A M H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.922 111.6 46.9 -58.7 -43.1 19.2 3.3 35.7 46 70 A T H < S+ 0 0 38 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.923 114.0 45.5 -68.6 -42.2 15.9 4.5 37.1 47 71 A M H < S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.5 55.9 -75.4 -29.1 17.4 6.7 39.9 48 72 A K H < S- 0 0 15 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.929 120.6-105.5 -61.3 -42.5 20.0 8.3 37.7 49 73 A A < - 0 0 59 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.541 35.2-121.6 108.2 94.0 17.3 9.5 35.3 50 74 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 155,-0.1 -0.260 22.3-138.9 -65.1 148.5 17.3 7.3 32.1 51 75 A T > - 0 0 38 1,-0.1 4,-2.6 154,-0.0 5,-0.2 -0.677 22.6-113.1 -97.8 163.3 17.8 9.1 28.8 52 76 A A H > S+ 0 0 31 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.873 118.9 55.3 -58.5 -40.8 16.0 8.3 25.6 53 77 A D H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 111.2 44.6 -57.4 -44.7 19.3 7.0 24.1 54 78 A E H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.934 115.0 45.0 -68.4 -48.7 19.7 4.6 27.0 55 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.923 111.4 55.3 -61.8 -42.0 16.1 3.3 27.0 56 80 A G H X S+ 0 0 24 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.870 106.0 52.5 -58.5 -37.6 16.3 3.0 23.2 57 81 A E H X S+ 0 0 37 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.922 109.5 48.0 -63.7 -45.4 19.3 0.8 23.6 58 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 115.1 44.9 -56.7 -49.1 17.5 -1.5 26.0 59 83 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.891 110.6 54.4 -67.2 -39.6 14.5 -1.7 23.7 60 84 A G H X S+ 0 0 31 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.882 108.6 49.1 -61.1 -40.1 16.7 -2.2 20.6 61 85 A V H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.959 111.3 49.6 -65.7 -46.2 18.4 -5.2 22.3 62 86 A M H X S+ 0 0 4 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.937 111.6 48.4 -56.3 -47.2 15.0 -6.7 23.2 63 87 A L H < S+ 0 0 14 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.0 58.5 -63.9 -30.7 13.8 -6.3 19.7 64 88 A S H < S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.7 38.3 -64.6 -34.3 17.1 -7.9 18.4 65 89 A H H < S+ 0 0 67 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.548 96.5 104.7 -92.9 -11.4 16.3 -11.0 20.4 66 90 A A S < S- 0 0 12 -4,-1.2 93,-0.2 -5,-0.2 92,-0.1 -0.331 82.2-103.7 -70.0 152.8 12.5 -11.1 19.8 67 91 A H - 0 0 78 91,-2.1 2,-0.1 90,-0.1 -1,-0.1 -0.644 45.3-144.8 -65.8 121.5 10.7 -13.5 17.5 68 92 A P - 0 0 91 0, 0.0 120,-0.2 0, 0.0 3,-0.1 -0.445 14.0-108.2 -83.3 164.7 9.9 -11.2 14.4 69 93 A L - 0 0 17 118,-0.6 3,-0.1 1,-0.1 70,-0.1 -0.618 54.1 -82.5 -78.9 154.1 6.8 -11.5 12.3 70 94 A P > - 0 0 42 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.189 61.4 -79.4 -57.6 151.8 7.4 -12.9 8.8 71 95 A A T 3 S+ 0 0 83 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.188 111.7 7.4 -52.5 135.7 8.7 -10.6 6.1 72 96 A D T 3 S+ 0 0 169 -3,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.802 95.4 108.9 63.5 37.3 6.1 -8.3 4.5 73 97 A T < + 0 0 46 -3,-1.0 -2,-0.1 1,-0.1 -1,-0.1 0.517 60.0 72.8-117.6 -9.2 3.2 -9.3 6.8 74 98 A V S S- 0 0 41 -4,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 -0.921 83.8-125.2-109.8 115.4 2.8 -6.1 8.8 75 99 A P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.214 22.4-114.3 -58.8 153.1 1.2 -3.2 6.9 76 100 A D T 3 S+ 0 0 120 1,-0.3 115,-0.3 114,-0.1 -2,-0.0 0.709 115.0 45.3 -55.3 -28.9 3.2 0.1 6.8 77 101 A D T 3 S+ 0 0 56 113,-0.1 -1,-0.3 114,-0.1 2,-0.1 -0.131 78.2 144.4-112.8 31.1 0.5 1.8 8.8 78 102 A A < - 0 0 0 -3,-1.7 114,-1.1 110,-0.1 113,-0.5 -0.481 34.2-152.0 -67.5 145.3 -0.1 -0.8 11.6 79 103 A V E -ab 109 192A 0 29,-2.6 31,-2.6 112,-0.1 2,-0.3 -0.887 9.3-151.0-119.8 153.5 -0.9 0.7 15.0 80 104 A D E - b 0 193A 3 112,-1.4 114,-2.0 -2,-0.3 2,-0.4 -0.874 2.3-165.3-111.3 151.9 -0.4 -0.5 18.6 81 105 A V E + b 0 194A 1 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.917 39.5 123.8-137.6 110.1 -2.6 0.5 21.6 82 106 A V E - b 0 195A 10 112,-1.7 114,-2.1 -2,-0.4 2,-0.3 -0.984 36.7-155.2-167.8 147.1 -0.8 -0.4 24.8 83 107 A G E - b 0 196A 19 -2,-0.3 114,-0.2 112,-0.3 3,-0.1 -0.786 33.7-108.6-127.3 174.9 0.4 1.0 28.1 84 108 A T - 0 0 14 112,-1.6 113,-0.1 -2,-0.3 98,-0.1 0.747 48.8-150.4 -65.4 -27.4 3.0 0.4 30.8 85 109 A G + 0 0 30 142,-0.2 113,-0.5 1,-0.1 -1,-0.2 -0.306 59.8 109.5 66.6-169.7 0.3 -0.7 33.3 86 110 A G + 0 0 35 3,-0.1 -1,-0.1 -2,-0.1 93,-0.0 0.660 32.8 128.2 83.0 16.2 1.3 0.1 36.9 87 111 A D - 0 0 32 2,-0.1 3,-0.1 1,-0.1 -1,-0.0 0.599 63.9-138.5 -77.7 -9.5 -1.2 2.9 37.4 88 112 A G + 0 0 72 1,-0.2 2,-0.3 138,-0.0 138,-0.1 0.670 64.9 118.8 61.7 16.0 -2.5 1.1 40.6 89 113 A V - 0 0 37 136,-0.1 2,-1.1 2,-0.0 -1,-0.2 -0.731 69.8-125.2-105.7 155.8 -6.1 1.9 39.6 90 114 A N + 0 0 55 -2,-0.3 177,-1.8 -3,-0.1 2,-0.3 -0.754 47.9 160.9-104.9 91.6 -8.6 -0.7 39.0 91 115 A T B -G 266 0B 18 -2,-1.1 175,-0.2 175,-0.3 30,-0.2 -0.779 45.5-105.4-106.1 155.9 -9.9 0.0 35.5 92 116 A V - 0 0 7 173,-2.3 2,-1.8 -2,-0.3 175,-0.1 -0.265 60.9 -82.9 -52.1 161.4 -11.7 -1.8 32.9 93 117 A N > + 0 0 16 1,-0.2 4,-2.1 180,-0.2 5,-0.2 -0.504 59.0 168.6 -79.0 81.0 -9.3 -2.7 30.0 94 118 A L H > S+ 0 0 0 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.880 71.8 49.2 -67.7 -41.8 -9.3 0.6 28.0 95 119 A S H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 113.0 48.6 -62.3 -45.6 -6.4 -0.1 25.6 96 120 A T H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 113.7 44.6 -61.7 -46.5 -7.8 -3.5 24.7 97 121 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 114.2 50.6 -62.2 -49.5 -11.3 -2.2 24.0 98 122 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.933 107.6 54.5 -50.4 -48.5 -9.9 0.7 22.1 99 123 A A H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.895 107.4 49.3 -56.3 -44.3 -7.7 -1.7 20.0 100 124 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.941 113.4 46.7 -60.5 -48.0 -10.8 -3.7 19.0 101 125 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.907 111.3 52.1 -59.8 -41.8 -12.7 -0.5 17.9 102 126 A V H <>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-0.3 0.930 110.2 47.5 -62.8 -47.4 -9.7 0.8 16.0 103 127 A A H ><5S+ 0 0 7 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.913 110.3 53.7 -57.1 -45.2 -9.3 -2.5 14.0 104 128 A A H 3<5S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.771 101.1 58.6 -63.9 -27.1 -13.1 -2.3 13.3 105 129 A A T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.584 127.3-103.1 -75.8 -8.9 -12.6 1.2 12.0 106 130 A G T < 5S+ 0 0 54 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.2 0.545 80.4 131.3 97.0 7.3 -10.2 -0.4 9.5 107 131 A V < - 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0 0 46 -3,-1.2 2,-0.4 -6,-0.3 -5,-0.0 -0.242 49.2-152.5 -56.8 138.6 -2.5 15.5 9.1 311 335 A E > - 0 0 138 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.953 15.2-127.4-116.7 142.9 -3.9 18.3 11.2 312 336 A W H > S+ 0 0 65 -2,-0.4 4,-2.2 2,-0.2 5,-0.1 0.874 98.8 37.1 -57.2 -59.1 -4.7 17.9 14.9 313 337 A L H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 119.0 47.6 -67.9 -45.9 -8.3 19.0 15.4 314 338 A P H > S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.883 111.5 53.1 -59.0 -37.9 -9.7 17.6 12.2 315 339 A A H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 110.3 47.8 -62.1 -44.2 -7.8 14.3 12.9 316 340 A W H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.918 111.6 49.1 -62.2 -45.3 -9.5 14.2 16.4 317 341 A E H X S+ 0 0 99 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 114.8 44.3 -61.7 -47.9 -13.0 14.9 14.9 318 342 A E H X S+ 0 0 100 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.906 112.6 52.8 -61.8 -41.4 -12.5 12.2 12.3 319 343 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.885 111.0 46.6 -60.6 -41.2 -11.1 9.8 14.9 320 344 A L H X S+ 0 0 21 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.912 113.2 48.9 -70.3 -40.4 -14.1 10.3 17.2 321 345 A R H X S+ 0 0 147 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.932 114.7 45.1 -59.9 -48.8 -16.5 9.9 14.2 322 346 A R H X S+ 0 0 77 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.889 113.1 49.5 -65.3 -40.9 -14.8 6.7 13.1 323 347 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.925 114.3 45.7 -65.7 -46.2 -14.6 5.2 16.6 324 348 A S H X S+ 0 0 32 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.897 113.0 48.9 -61.0 -45.8 -18.2 5.9 17.3 325 349 A A H X S+ 0 0 47 -4,-2.5 4,-2.6 1,-0.2 6,-0.4 0.880 104.9 59.2 -64.2 -37.6 -19.4 4.5 14.0 326 350 A A H < S+ 0 0 5 -4,-2.2 6,-2.9 1,-0.2 7,-0.4 0.859 114.3 37.5 -62.2 -36.8 -17.3 1.3 14.4 327 351 A I H >< S+ 0 0 5 -4,-1.4 3,-1.6 4,-0.2 6,-0.3 0.943 117.5 49.7 -72.3 -52.0 -19.3 0.6 17.6 328 352 A D H 3< S+ 0 0 83 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.767 108.7 51.2 -64.5 -28.3 -22.7 1.9 16.4 329 353 A T T 3< S- 0 0 103 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 0.566 113.5-115.2 -83.7 -7.9 -22.7 -0.1 13.1 330 354 A G S <> S+ 0 0 18 -3,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.403 82.7 122.6 86.7 -2.7 -21.9 -3.3 14.9 331 355 A A H > S+ 0 0 32 -6,-0.4 4,-2.4 -5,-0.3 -4,-0.2 0.893 73.6 47.1 -63.0 -39.2 -18.5 -3.6 13.2 332 356 A A H > S+ 0 0 0 -6,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.938 113.6 48.6 -67.6 -45.3 -16.5 -3.7 16.5 333 357 A E H > S+ 0 0 99 -52,-0.4 4,-1.9 -7,-0.4 -2,-0.2 0.940 114.5 45.2 -57.1 -48.5 -18.9 -6.3 17.9 334 358 A Q H X S+ 0 0 106 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.867 108.8 57.1 -63.9 -38.8 -18.6 -8.5 14.8 335 359 A L H X S+ 0 0 16 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.940 105.5 49.4 -61.7 -45.8 -14.9 -8.1 14.6 336 360 A L H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.945 112.0 49.6 -54.7 -46.9 -14.5 -9.5 18.1 337 361 A A H X S+ 0 0 44 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.911 112.0 48.0 -59.7 -43.5 -16.7 -12.4 17.1 338 362 A R H X S+ 0 0 126 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.878 109.0 53.3 -63.2 -37.6 -14.6 -13.0 14.0 339 363 A W H X S+ 0 0 7 -4,-2.7 4,-1.8 2,-0.2 -206,-0.3 0.924 109.6 48.9 -61.4 -45.8 -11.4 -12.8 16.0 340 364 A V H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.947 113.0 47.3 -59.4 -51.0 -12.7 -15.5 18.4 341 365 A R H X S+ 0 0 121 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.879 106.3 58.2 -56.9 -42.5 -13.7 -17.7 15.4 342 366 A F H < S+ 0 0 14 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.906 108.5 45.8 -55.2 -43.5 -10.3 -17.2 13.7 343 367 A G H >< S+ 0 0 11 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.841 112.2 50.6 -70.6 -34.1 -8.6 -18.6 16.8 344 368 A R H 3< S+ 0 0 185 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.698 106.2 56.9 -73.8 -21.6 -10.9 -21.6 17.0 345 369 A Q T 3< 0 0 140 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.098 360.0 360.0-102.7 23.8 -10.5 -22.4 13.4 346 370 A I < 0 0 144 -3,-0.8 -1,-0.2 -5,-0.1 -206,-0.0 -0.789 360.0 360.0 88.6 360.0 -6.6 -22.9 13.4 347 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 348 25 B P 0 0 108 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 145.5 -6.7 37.3 54.8 349 26 B S > - 0 0 46 1,-0.1 4,-2.9 0, 0.0 5,-0.2 -0.988 360.0-107.2-159.2 162.4 -7.6 35.8 58.2 350 27 B W H >>S+ 0 0 19 -2,-0.3 4,-3.0 1,-0.2 5,-0.5 0.948 119.4 51.6 -60.7 -47.3 -10.2 35.9 60.9 351 28 B P H >5S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.909 113.9 45.7 -54.8 -41.1 -7.8 37.8 63.3 352 29 B Q H >5S+ 0 0 97 2,-0.2 4,-1.6 3,-0.2 -2,-0.2 0.945 118.8 39.2 -68.3 -47.1 -7.2 40.3 60.5 353 30 B I H X5S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -3,-0.2 0.950 119.5 44.0 -71.1 -49.5 -10.8 40.8 59.5 354 31 B L H X5S+ 0 0 30 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.871 111.5 55.9 -62.1 -39.8 -12.4 40.8 63.0 355 32 B G H XS+ 0 0 61 -4,-1.6 5,-2.3 -5,-0.2 -2,-0.2 0.934 112.3 46.3 -66.7 -43.3 -10.5 45.6 61.6 357 34 B L H ><5S+ 0 0 3 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.930 112.9 48.4 -67.2 -41.5 -14.2 45.5 62.4 358 35 B T H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.0 58.5 -69.4 -22.4 -13.7 45.8 66.2 359 36 B D T 3<5S- 0 0 114 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.424 120.2-118.8 -79.7 5.4 -11.3 48.7 65.4 360 37 B N T < 5 + 0 0 108 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.827 67.1 136.2 61.0 37.7 -14.4 50.2 63.8 361 38 B R < - 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0 0 47 -3,-0.8 2,-0.4 -6,-0.4 -5,-0.0 0.024 40.8-166.3 -40.8 123.3 -41.6 55.8 34.7 658 335 B E > - 0 0 138 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.972 17.9-132.8-124.1 120.2 -43.3 58.7 36.6 659 336 B W H > S+ 0 0 60 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.769 96.0 35.0 -42.3 -65.4 -43.9 58.5 40.4 660 337 B L H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 121.0 46.7 -67.2 -43.8 -47.5 59.6 41.0 661 338 B P H > S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.807 109.2 57.2 -60.4 -32.0 -49.0 58.2 37.7 662 339 B A H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 107.8 47.4 -67.0 -43.4 -47.1 54.9 38.4 663 340 B W H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.918 110.2 50.8 -60.6 -49.4 -48.8 54.5 41.7 664 341 B E H X S+ 0 0 106 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.915 115.2 43.2 -59.2 -43.9 -52.3 55.3 40.4 665 342 B E H X S+ 0 0 102 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 113.1 51.9 -67.1 -41.2 -51.9 52.7 37.7 666 343 B G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.891 111.1 48.6 -60.3 -40.5 -50.3 50.2 40.1 667 344 B L H X S+ 0 0 21 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.895 111.7 49.2 -68.8 -37.5 -53.3 50.7 42.4 668 345 B R H X S+ 0 0 145 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.903 113.4 46.2 -64.4 -45.1 -55.8 50.2 39.5 669 346 B R H X S+ 0 0 78 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.888 112.7 49.0 -68.8 -39.9 -54.1 47.1 38.4 670 347 B A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.939 114.0 45.8 -65.6 -49.1 -53.8 45.5 41.9 671 348 B S H X S+ 0 0 35 -4,-2.3 4,-3.3 1,-0.2 3,-0.2 0.933 113.4 49.9 -56.4 -47.4 -57.5 46.2 42.7 672 349 B A H X S+ 0 0 44 -4,-2.4 4,-2.7 1,-0.2 6,-0.4 0.870 104.6 57.4 -63.0 -41.5 -58.6 44.9 39.3 673 350 B A H < S+ 0 0 5 -4,-2.1 6,-2.7 1,-0.2 5,-0.4 0.857 115.5 38.2 -59.3 -39.0 -56.5 41.6 39.7 674 351 B I H >< S+ 0 0 5 -4,-1.6 3,-1.8 -3,-0.2 6,-0.3 0.948 116.2 51.1 -72.1 -52.4 -58.5 40.9 42.8 675 352 B D H 3< S+ 0 0 87 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.787 109.1 49.9 -57.6 -33.7 -61.9 42.3 41.6 676 353 B T T 3< S- 0 0 103 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 0.506 113.5-115.9 -82.0 -4.4 -61.9 40.2 38.4 677 354 B G S <> S+ 0 0 16 -3,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.502 81.3 125.8 78.3 4.8 -61.1 37.0 40.3 678 355 B A H > S+ 0 0 34 -5,-0.4 4,-2.4 -6,-0.4 -4,-0.2 0.923 72.8 47.5 -62.1 -40.8 -57.7 36.8 38.4 679 356 B A H > S+ 0 0 0 -6,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.927 113.3 46.8 -67.7 -47.2 -55.8 36.6 41.7 680 357 B E H > S+ 0 0 96 -52,-0.4 4,-2.0 -7,-0.3 -1,-0.2 0.932 114.7 47.5 -58.9 -46.8 -58.0 34.0 43.3 681 358 B Q H X S+ 0 0 108 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.867 108.0 55.9 -64.8 -37.0 -57.9 31.9 40.1 682 359 B L H X S+ 0 0 15 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.932 106.5 49.7 -61.6 -45.1 -54.1 32.3 39.8 683 360 B L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 111.2 49.7 -56.4 -48.0 -53.7 30.8 43.3 684 361 B A H X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.927 112.2 48.1 -56.1 -44.5 -56.0 27.9 42.3 685 362 B R H X S+ 0 0 141 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.874 110.6 51.3 -67.0 -33.1 -53.9 27.3 39.2 686 363 B W H X S+ 0 0 9 -4,-2.5 4,-1.5 2,-0.2 -206,-0.3 0.904 110.6 48.1 -68.1 -43.9 -50.7 27.5 41.2 687 364 B V H X S+ 0 0 16 -4,-2.6 4,-1.3 1,-0.2 3,-0.5 0.966 113.7 48.0 -58.6 -51.1 -52.0 24.9 43.7 688 365 B R H X S+ 0 0 125 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 0.888 105.5 58.3 -57.7 -44.3 -53.1 22.7 40.7 689 366 B F H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 107.0 48.2 -52.2 -41.5 -49.7 23.0 39.0 690 367 B G H >< S+ 0 0 3 -4,-1.5 3,-0.7 -3,-0.5 -1,-0.2 0.765 108.5 53.7 -75.6 -24.9 -47.9 21.6 42.0 691 368 B R H 3< S+ 0 0 178 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.772 100.2 61.0 -78.8 -27.3 -50.3 18.6 42.3 692 369 B Q T 3< 0 0 151 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.059 360.0 360.0 -89.3 26.8 -49.7 17.7 38.6 693 370 B I < 0 0 133 -3,-0.7 -1,-0.2 0, 0.0 -2,-0.0 -0.259 360.0 360.0 56.6 360.0 -46.0 17.2 39.5 694 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 695 25 C P 0 0 108 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 150.0 45.5 5.4 84.8 696 26 C S > - 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0 0 45 -3,-1.0 2,-0.4 -6,-0.3 -5,-0.0 -0.249 44.9-159.9 -54.3 133.1 80.5 -13.4 64.5 1005 335 C E > - 0 0 134 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.976 17.0-129.4-119.9 141.3 82.1 -16.3 66.5 1006 336 C W H > S+ 0 0 64 -2,-0.4 4,-2.3 2,-0.2 5,-0.1 0.872 97.8 37.6 -60.3 -57.9 82.9 -15.9 70.2 1007 337 C L H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 118.9 46.9 -69.3 -45.9 86.5 -17.0 70.7 1008 338 C P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.865 112.3 53.4 -58.2 -35.5 87.9 -15.6 67.4 1009 339 C A H X S+ 0 0 12 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.931 109.9 47.1 -66.1 -45.4 86.0 -12.3 68.2 1010 340 C W H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.933 113.0 48.1 -59.1 -49.5 87.7 -12.2 71.7 1011 341 C E H X S+ 0 0 99 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 115.3 44.9 -59.4 -44.4 91.2 -12.9 70.2 1012 342 C E H X S+ 0 0 96 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.942 112.4 52.0 -64.7 -44.9 90.6 -10.2 67.6 1013 343 C G H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.890 111.3 47.8 -55.0 -42.9 89.2 -7.8 70.2 1014 344 C L H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.915 112.2 48.1 -69.8 -41.7 92.3 -8.3 72.4 1015 345 C R H X S+ 0 0 149 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.917 115.0 45.8 -62.1 -43.9 94.8 -7.8 69.6 1016 346 C R H X S+ 0 0 79 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.894 112.7 49.3 -68.3 -40.9 93.0 -4.7 68.4 1017 347 C A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.934 114.0 45.7 -65.6 -46.1 92.7 -3.2 71.8 1018 348 C S H X S+ 0 0 32 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.876 113.3 49.0 -61.4 -44.4 96.4 -3.8 72.6 1019 349 C A H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 6,-0.4 0.879 104.6 59.6 -65.2 -41.1 97.6 -2.5 69.3 1020 350 C A H < S+ 0 0 5 -4,-2.4 6,-2.7 2,-0.2 7,-0.3 0.869 115.0 36.1 -54.5 -38.3 95.5 0.7 69.7 1021 351 C I H >< S+ 0 0 4 -4,-1.4 3,-1.6 4,-0.2 6,-0.3 0.951 117.7 50.3 -75.1 -52.1 97.4 1.4 72.9 1022 352 C D H 3< S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.747 109.0 50.0 -64.5 -29.7 100.9 0.1 71.7 1023 353 C T T 3< S- 0 0 107 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.564 113.1-115.5 -84.0 -7.5 100.9 2.1 68.5 1024 354 C G S <> S+ 0 0 17 -3,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.422 82.0 123.4 87.5 -4.9 100.0 5.3 70.2 1025 355 C A H > S+ 0 0 32 -6,-0.4 4,-2.6 -5,-0.3 -4,-0.2 0.898 74.8 49.0 -57.9 -41.0 96.6 5.6 68.4 1026 356 C A H > S+ 0 0 0 -6,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.932 112.8 46.2 -67.0 -47.0 94.7 5.7 71.8 1027 357 C E H > S+ 0 0 96 -52,-0.5 4,-1.8 -7,-0.3 -1,-0.2 0.879 115.1 47.6 -58.2 -42.7 97.0 8.4 73.3 1028 358 C Q H X S+ 0 0 111 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.891 107.8 56.2 -68.7 -38.2 96.8 10.5 70.0 1029 359 C L H X S+ 0 0 16 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.927 106.0 49.4 -62.6 -43.5 93.0 10.1 69.9 1030 360 C L H X S+ 0 0 15 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.946 111.5 50.1 -57.4 -48.0 92.6 11.6 73.4 1031 361 C A H X S+ 0 0 47 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 112.0 47.5 -56.8 -44.6 94.9 14.5 72.4 1032 362 C R H X S+ 0 0 130 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.880 110.1 53.2 -65.2 -35.5 92.8 15.0 69.2 1033 363 C W H X S+ 0 0 8 -4,-2.5 4,-1.8 -5,-0.2 -206,-0.3 0.936 109.4 48.1 -63.0 -46.0 89.6 14.8 71.3 1034 364 C V H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.956 114.0 47.2 -58.5 -48.8 90.9 17.6 73.7 1035 365 C R H X S+ 0 0 120 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.886 105.3 59.3 -61.5 -39.9 91.8 19.8 70.8 1036 366 C F H < S+ 0 0 17 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.917 108.7 45.0 -55.4 -44.6 88.5 19.2 69.0 1037 367 C G H >< S+ 0 0 10 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.815 111.6 51.4 -71.7 -31.3 86.7 20.7 72.0 1038 368 C R H 3< S+ 0 0 187 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.681 109.5 52.0 -74.6 -21.5 89.0 23.6 72.4 1039 369 C Q T 3< 0 0 138 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.335 360.0 360.0-102.9 4.4 88.6 24.5 68.7 1040 370 C I < 0 0 133 -3,-0.6 -1,-0.2 -4,-0.3 -206,-0.0 -0.936 360.0 360.0 121.7 360.0 84.7 24.6 68.7 1041 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1042 25 D P 0 0 108 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 140.8 6.2 45.6 109.9 1043 26 D S > - 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0 0 111 -2,-0.2 3,-3.3 1,-0.1 4,-0.4 -0.896 27.3-119.0-108.1 145.1 54.1 33.0 119.0 1303 286 D L G > S+ 0 0 50 -2,-0.4 3,-1.4 1,-0.3 4,-0.1 0.771 114.2 64.4 -56.0 -29.3 51.4 35.6 119.0 1304 287 D D G > S+ 0 0 128 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.736 92.8 64.0 -66.3 -19.6 53.8 38.0 120.8 1305 288 D Q G < S+ 0 0 86 -3,-3.3 -1,-0.3 1,-0.2 24,-0.2 0.704 103.9 46.8 -71.2 -17.1 55.9 37.9 117.6 1306 289 D L G < S+ 0 0 0 -3,-1.4 -173,-2.3 -4,-0.4 -1,-0.2 0.250 86.0 143.4-107.2 13.1 52.9 39.5 115.7 1307 290 D A B < -B 1132 0H 52 -3,-0.8 -175,-0.3 -175,-0.3 2,-0.1 -0.156 35.8-147.3 -70.6 141.6 52.3 42.2 118.3 1308 291 D G - 0 0 21 -177,-0.8 2,-0.2 -175,-0.1 -175,-0.2 -0.288 11.2-170.0 -95.4-178.5 51.2 45.8 117.3 1309 292 D G - 0 0 17 1,-0.4 -148,-0.1 -177,-0.2 -147,-0.1 -0.630 49.2 -47.0-143.5-155.9 51.9 49.2 118.8 1310 293 D D S > S- 0 0 91 -2,-0.2 4,-2.5 -149,-0.1 -1,-0.4 -0.058 74.0 -81.4 -70.4-176.8 50.3 52.6 118.0 1311 294 D A H > S+ 0 0 25 -150,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 131.2 53.8 -57.1 -38.4 50.0 53.8 114.4 1312 295 D Q H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 111.3 44.0 -65.4 -42.3 53.6 54.9 114.3 1313 296 D A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 115.0 48.3 -66.7 -43.2 55.0 51.5 115.4 1314 297 D N H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.856 109.3 53.5 -68.2 -36.8 52.6 49.6 113.0 1315 298 D A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.868 107.7 51.4 -61.3 -42.7 53.7 51.9 110.1 1316 299 D A H X S+ 0 0 50 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.884 106.9 54.1 -61.3 -39.4 57.3 51.1 110.9 1317 300 D A H X S+ 0 0 22 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 108.2 49.0 -65.0 -38.8 56.4 47.4 110.8 1318 301 D V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.959 111.2 49.5 -60.8 -51.7 54.9 47.9 107.3 1319 302 D R H X S+ 0 0 121 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.896 112.2 49.8 -51.9 -42.5 58.1 49.7 106.1 1320 303 D A H <>S+ 0 0 49 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.929 111.8 44.8 -65.0 -51.0 60.2 46.9 107.5 1321 304 D V H ><5S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.944 115.4 48.5 -58.3 -46.4 58.3 44.0 105.9 1322 305 D L H 3<5S+ 0 0 4 -4,-2.6 52,-0.4 1,-0.3 -1,-0.2 0.755 105.7 59.4 -67.2 -23.6 58.1 45.9 102.5 1323 306 D G T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.379 126.2 -99.8 -84.3 2.2 61.9 46.6 102.8 1324 307 D G T < 5 + 0 0 28 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.497 61.1 164.5 94.6 3.9 62.6 42.8 102.9 1325 308 D A < - 0 0 50 -5,-2.3 -1,-0.3 1,-0.1 5,-0.2 -0.341 29.9-140.2 -52.9 126.5 63.0 42.2 106.7 1326 309 D R + 0 0 183 4,-0.1 3,-0.2 3,-0.1 -1,-0.1 -0.500 51.2 77.8 -87.4 161.8 62.8 38.5 107.3 1327 310 D G S > S- 0 0 32 -2,-0.2 4,-1.9 1,-0.2 -22,-0.0 -0.840 91.4 -39.3 132.0-171.3 61.0 37.0 110.3 1328 311 D P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.868 126.1 52.5 -64.5 -38.8 57.5 36.2 111.7 1329 312 D V H > S+ 0 0 30 1,-0.2 4,-2.4 -24,-0.2 5,-0.2 0.964 109.0 49.6 -63.6 -53.1 55.7 39.3 110.4 1330 313 D R H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.909 109.4 54.3 -44.8 -51.1 56.9 38.9 106.8 1331 314 D D H X S+ 0 0 43 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.911 109.3 45.3 -55.3 -47.4 55.7 35.2 107.0 1332 315 D A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.881 113.1 52.0 -65.9 -37.8 52.1 36.1 108.1 1333 316 D V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.950 111.0 46.1 -58.8 -51.1 52.0 38.8 105.5 1334 317 D V H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.905 112.2 52.7 -60.7 -41.8 53.0 36.4 102.7 1335 318 D L H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.956 113.3 42.2 -58.1 -49.8 50.6 33.9 104.0 1336 319 D N H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 113.5 51.8 -70.5 -35.7 47.7 36.3 103.9 1337 320 D A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.908 108.7 51.7 -64.2 -41.4 48.7 37.8 100.5 1338 321 D A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 106.7 53.7 -65.6 -38.9 48.8 34.4 99.1 1339 322 D G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.880 108.0 50.1 -58.5 -39.8 45.3 33.6 100.4 1340 323 D A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.897 109.5 51.5 -67.0 -37.8 43.9 36.7 98.7 1341 324 D I H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 108.1 51.9 -66.2 -38.5 45.6 35.6 95.5 1342 325 D V H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 108.2 51.0 -62.0 -44.6 44.0 32.2 95.8 1343 326 D A H < S+ 0 0 1 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.925 110.9 49.7 -58.0 -40.7 40.5 33.8 96.2 1344 327 D H H >< S+ 0 0 34 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.928 108.1 51.7 -63.1 -44.1 41.3 35.8 93.1 1345 328 D A H >< S+ 0 0 33 -4,-2.5 3,-2.0 1,-0.3 6,-0.3 0.880 98.0 70.3 -59.5 -37.8 42.3 32.7 91.2 1346 329 D G T 3< S+ 0 0 25 -4,-2.5 -1,-0.3 1,-0.3 -63,-0.2 0.654 72.4 82.5 -51.0 -23.2 38.9 31.2 92.3 1347 330 D L T < S+ 0 0 47 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 0.575 88.1 73.1 -61.3 -8.1 37.1 33.6 89.9 1348 331 D S S X S- 0 0 75 -3,-2.0 3,-1.1 1,-0.1 -1,-0.0 -0.948 77.0-148.8-104.9 130.2 38.1 30.7 87.5 1349 332 D S T 3 S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.754 100.4 61.0 -65.6 -26.5 36.2 27.4 87.7 1350 333 D R T 3 S+ 0 0 233 -5,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.638 76.9 122.6 -73.1 -17.0 39.6 25.7 86.5 1351 334 D A < - 0 0 46 -3,-1.1 2,-0.4 -6,-0.3 -5,-0.0 -0.150 49.2-154.9 -48.5 143.9 41.4 27.0 89.7 1352 335 D E > - 0 0 142 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.990 12.2-128.5-137.5 125.1 42.9 24.1 91.8 1353 336 D W H > S+ 0 0 60 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.764 95.6 31.6 -48.2 -69.1 43.6 24.3 95.6 1354 337 D L H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 122.5 49.5 -64.3 -41.3 47.3 23.3 96.5 1355 338 D P H > S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.868 107.8 54.3 -60.5 -36.5 48.7 24.7 93.2 1356 339 D A H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.916 110.3 48.0 -65.5 -39.4 46.8 28.0 93.6 1357 340 D W H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.926 110.5 49.9 -62.7 -47.9 48.5 28.3 97.0 1358 341 D E H X S+ 0 0 72 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.899 115.3 43.5 -62.0 -41.1 51.9 27.5 95.7 1359 342 D E H X S+ 0 0 96 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.878 112.7 52.9 -69.4 -38.6 51.6 30.0 92.9 1360 343 D G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.880 109.7 48.7 -62.9 -39.5 50.0 32.6 95.4 1361 344 D L H X S+ 0 0 22 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.903 111.5 50.0 -69.3 -38.1 53.0 32.2 97.8 1362 345 D R H X S+ 0 0 151 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.4 45.2 -60.5 -47.4 55.5 32.6 94.8 1363 346 D R H X S+ 0 0 78 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.858 113.6 48.8 -69.6 -38.9 53.8 35.8 93.6 1364 347 D A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.906 113.5 47.5 -66.8 -44.6 53.5 37.3 97.1 1365 348 D S H X S+ 0 0 34 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.938 113.2 47.5 -60.7 -45.9 57.1 36.6 97.9 1366 349 D A H X S+ 0 0 45 -4,-2.4 4,-2.8 1,-0.2 6,-0.4 0.849 104.4 60.7 -67.0 -37.8 58.3 38.0 94.5 1367 350 D A H <>S+ 0 0 5 -4,-2.0 6,-2.7 1,-0.2 5,-0.5 0.895 114.7 35.9 -57.1 -41.4 56.2 41.2 95.0 1368 351 D I H ><5S+ 0 0 5 -4,-1.5 3,-1.6 -3,-0.2 6,-0.3 0.940 117.7 51.6 -72.7 -49.3 58.1 41.9 98.1 1369 352 D D H 3<5S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.810 107.4 51.0 -62.1 -34.9 61.5 40.6 96.9 1370 353 D T T 3<5S- 0 0 102 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.1 0.543 113.9-115.1 -77.2 -7.2 61.5 42.6 93.6 1371 354 D G T <>5S+ 0 0 18 -3,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.487 83.1 124.0 81.8 2.3 60.8 45.8 95.5 1372 355 D A H > S+ 0 0 0 -6,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.931 113.6 47.3 -64.8 -45.1 55.4 46.2 97.1 1374 357 D E H > S+ 0 0 98 -52,-0.4 4,-1.8 -7,-0.3 -1,-0.2 0.900 114.7 46.7 -60.6 -41.9 57.7 48.9 98.5 1375 358 D Q H X S+ 0 0 106 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.885 107.9 55.7 -70.8 -38.7 57.5 50.9 95.3 1376 359 D L H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.929 107.0 49.8 -59.0 -45.4 53.7 50.6 95.1 1377 360 D L H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.932 111.2 49.9 -57.0 -47.3 53.3 52.0 98.6 1378 361 D A H X S+ 0 0 45 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.917 112.1 47.4 -56.7 -45.2 55.6 55.0 97.6 1379 362 D R H X S+ 0 0 132 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.880 110.3 52.9 -66.0 -35.0 53.6 55.5 94.5 1380 363 D W H X S+ 0 0 8 -4,-2.5 4,-1.3 2,-0.2 -206,-0.3 0.916 110.0 48.0 -64.2 -44.4 50.3 55.3 96.5 1381 364 D V H X S+ 0 0 15 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.946 113.7 47.7 -59.0 -47.2 51.7 58.0 98.9 1382 365 D R H X S+ 0 0 128 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.882 104.9 58.8 -62.9 -40.5 52.7 60.2 96.0 1383 366 D F H < S+ 0 0 27 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.866 108.0 47.1 -56.1 -37.6 49.3 59.8 94.2 1384 367 D G H >< S+ 0 0 8 -4,-1.3 3,-0.6 -3,-0.4 -1,-0.2 0.787 107.2 55.1 -80.3 -27.9 47.6 61.3 97.2 1385 368 D R H 3< S+ 0 0 183 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.693 92.2 80.2 -72.6 -18.6 50.0 64.2 97.6 1386 369 D Q T 3< 0 0 141 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.013 360.0 360.0 -91.9 26.0 49.2 65.1 93.9 1387 370 D I < 0 0 166 -3,-0.6 -3,-0.0 -2,-0.0 -4,-0.0 -0.910 360.0 360.0-178.4 360.0 45.9 67.0 94.3