==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE 26-FEB-11 3QW4 . COMPND 2 MOLECULE: UMP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR J.B.FRENCH,S.E.EALICK . 892 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 4 2 0 2 5 5 5 2 4 2 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 5 6 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 2 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 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 0 B T 0 0 171 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.2 10.5 -40.2 -44.8 2 1 B M - 0 0 106 126,-0.0 5,-0.1 1,-0.0 126,-0.0 -0.948 360.0-117.9-106.5 122.2 13.5 -38.7 -46.6 3 2 B S > - 0 0 26 -2,-0.5 4,-1.9 1,-0.1 126,-0.2 -0.076 10.8-120.3 -67.8 154.3 16.4 -38.2 -44.1 4 3 B F H > S+ 0 0 1 124,-1.9 4,-2.1 103,-0.3 125,-0.1 0.876 116.6 45.7 -56.6 -41.4 17.9 -34.9 -43.2 5 4 B F H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.808 105.5 59.9 -74.6 -31.1 21.3 -36.1 -44.4 6 5 B D H > S+ 0 0 92 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.923 111.7 42.1 -58.0 -43.1 19.8 -37.5 -47.6 7 6 B L H X S+ 0 0 19 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.927 116.9 47.5 -67.5 -47.0 18.6 -34.0 -48.3 8 7 B L H X S+ 0 0 0 -4,-2.1 4,-4.0 1,-0.2 3,-0.3 0.930 104.9 54.7 -64.5 -55.5 21.9 -32.3 -47.2 9 8 B N H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 4,-0.2 0.813 109.7 52.5 -48.8 -33.1 24.4 -34.5 -49.0 10 9 B E H >< S+ 0 0 123 -4,-0.8 3,-0.8 -5,-0.3 -1,-0.2 0.897 114.4 39.0 -72.0 -43.3 22.5 -33.6 -52.2 11 10 B R H >X S+ 0 0 70 -4,-1.5 3,-2.5 -3,-0.3 4,-2.2 0.842 106.1 68.4 -72.0 -33.4 22.6 -29.8 -51.5 12 11 B A T 3< S+ 0 0 5 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.571 81.0 77.1 -65.4 -8.3 26.2 -30.3 -50.3 13 12 B K T <4 S+ 0 0 146 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.670 117.0 13.3 -71.9 -14.6 27.1 -31.1 -53.9 14 13 B R T <4 S+ 0 0 114 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.565 130.8 24.3-133.3 -25.2 26.9 -27.3 -54.6 15 14 B S < - 0 0 6 -4,-2.2 -1,-0.3 31,-0.1 31,-0.1 -0.999 30.4-175.7-152.1 150.0 26.8 -25.5 -51.2 16 15 B L + 0 0 0 -2,-0.3 210,-2.7 29,-0.1 2,-0.4 0.129 54.2 126.3-123.0 10.2 27.7 -25.7 -47.6 17 16 B L E -a 226 0A 0 28,-0.4 30,-3.7 208,-0.2 31,-1.2 -0.607 42.8-163.4 -78.3 124.9 26.0 -22.4 -46.7 18 17 B C E -ab 227 48A 0 208,-3.9 210,-2.7 -2,-0.4 2,-0.6 -0.945 11.3-147.6-107.4 115.6 23.5 -22.5 -43.9 19 18 B V E -ab 228 49A 0 29,-2.3 31,-2.3 -2,-0.6 2,-0.3 -0.745 15.9-144.6 -85.6 117.4 21.3 -19.4 -44.0 20 19 B G E - b 0 50A 1 208,-3.1 2,-0.6 -2,-0.6 212,-0.1 -0.601 6.2-153.0 -87.4 142.2 20.3 -18.4 -40.4 21 20 B L E + b 0 51A 3 29,-2.7 31,-1.0 -2,-0.3 34,-0.1 -0.739 37.1 142.2-118.7 82.6 16.9 -17.0 -39.6 22 21 B D - 0 0 21 -2,-0.6 2,-0.4 29,-0.2 31,-0.1 -0.790 35.5-161.0-117.7 83.1 17.2 -14.9 -36.4 23 22 B P - 0 0 12 0, 0.0 2,-0.9 0, 0.0 8,-0.1 -0.531 15.7-165.5 -78.2 122.7 14.9 -12.0 -37.1 24 23 B R + 0 0 128 -2,-0.4 2,-0.3 7,-0.1 3,-0.0 -0.844 36.9 154.2 -98.0 92.5 15.3 -8.8 -35.1 25 24 B A - 0 0 28 -2,-0.9 6,-0.1 30,-0.2 3,-0.0 -0.829 56.6-123.0-126.0 156.5 12.0 -7.2 -36.0 26 25 B K S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.930 97.1 10.8 -62.4 -45.5 9.5 -4.6 -34.6 27 26 B T S > S- 0 0 76 1,-0.0 4,-1.3 -3,-0.0 32,-0.1 -0.803 79.3-108.3-129.2 169.2 6.6 -7.1 -34.7 28 27 B A H > S+ 0 0 13 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.786 118.1 56.3 -68.3 -29.8 6.1 -10.8 -35.3 29 28 B A H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 105.8 50.0 -69.4 -38.8 4.5 -10.1 -38.7 30 29 B A H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.816 105.7 58.8 -66.4 -34.0 7.6 -8.1 -39.9 31 30 B A H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.940 106.5 45.6 -61.6 -49.6 9.7 -11.1 -38.7 32 31 B V H X S+ 0 0 23 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.927 115.5 47.6 -58.0 -46.6 7.9 -13.4 -41.1 33 32 B E H X S+ 0 0 58 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 111.8 50.1 -61.8 -41.8 8.2 -10.9 -43.9 34 33 B E H X S+ 0 0 49 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.894 116.0 42.4 -63.2 -41.7 11.9 -10.3 -43.2 35 34 B C H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.888 110.7 54.2 -73.3 -44.6 12.5 -14.1 -43.2 36 35 B K H X S+ 0 0 85 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.4 48.6 -51.8 -46.9 10.4 -14.7 -46.3 37 36 B R H X S+ 0 0 61 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.862 111.6 49.6 -62.9 -37.9 12.4 -12.1 -48.1 38 37 B L H X S+ 0 0 20 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.832 110.2 49.6 -74.2 -33.2 15.6 -13.6 -47.0 39 38 B I H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 109.3 51.1 -71.2 -42.9 14.5 -17.1 -48.1 40 39 B E H < S+ 0 0 66 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.847 113.5 45.5 -64.4 -34.5 13.5 -16.1 -51.6 41 40 B Q H < S+ 0 0 79 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.839 122.9 31.4 -78.2 -32.8 16.8 -14.3 -52.2 42 41 B T H >< S+ 0 0 0 -4,-1.4 3,-2.8 1,-0.1 4,-0.5 0.696 84.0 97.2-105.6 -20.5 19.1 -16.9 -50.9 43 42 B H G >< S+ 0 0 64 -4,-2.2 3,-1.0 1,-0.3 -1,-0.1 0.733 77.9 63.8 -48.1 -35.6 17.6 -20.4 -51.5 44 43 B E G 3 S+ 0 0 134 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.741 116.4 30.6 -60.8 -22.1 19.5 -21.1 -54.7 45 44 B Y G < S+ 0 0 53 -3,-2.8 2,-0.5 -29,-0.0 -28,-0.4 0.258 98.1 106.6-121.8 7.7 22.8 -21.0 -52.7 46 45 B A < - 0 0 0 -3,-1.0 -28,-0.2 -4,-0.5 3,-0.1 -0.795 42.2-173.7 -97.2 128.9 21.5 -22.3 -49.4 47 46 B A S S- 0 0 1 -30,-3.7 2,-0.3 -2,-0.5 -29,-0.2 0.814 76.9 -9.3 -82.2 -34.7 22.4 -25.8 -48.2 48 47 B A E -b 18 0A 0 -31,-1.2 -29,-2.3 30,-0.2 2,-0.4 -0.974 62.4-126.6-154.3 159.7 20.1 -25.5 -45.1 49 48 B Y E -bc 19 80A 0 30,-2.1 32,-2.5 -2,-0.3 -29,-0.2 -0.960 18.3-166.7-112.8 141.1 18.0 -22.9 -43.2 50 49 B K E -b 20 0A 9 -31,-2.3 -29,-2.7 -2,-0.4 2,-0.4 -0.814 3.3-174.2-130.9 92.9 18.4 -22.4 -39.5 51 50 B P E -b 21 0A 1 0, 0.0 32,-2.1 0, 0.0 2,-0.6 -0.736 20.4-139.8 -80.3 130.4 15.8 -20.4 -37.5 52 51 B N B >> -i 83 0B 3 -31,-1.0 3,-1.4 -2,-0.4 4,-0.6 -0.850 6.9-144.2 -93.6 119.8 16.7 -19.8 -33.9 53 52 B A H >> S+ 0 0 3 30,-1.6 4,-2.8 -2,-0.6 3,-1.1 0.773 88.4 74.3 -54.8 -36.3 13.7 -20.2 -31.7 54 53 B A H 3> S+ 0 0 0 29,-0.4 4,-1.1 1,-0.3 -1,-0.3 0.837 96.8 47.3 -44.1 -45.4 14.6 -17.5 -29.2 55 54 B F H <4 S+ 0 0 11 -3,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.727 115.5 43.7 -79.4 -22.8 13.8 -14.7 -31.7 56 55 B F H X< S+ 0 0 3 -3,-1.1 3,-0.8 -4,-0.6 -1,-0.2 0.773 110.8 55.7 -86.1 -30.7 10.4 -16.2 -32.6 57 56 B E H >< S+ 0 0 9 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.706 90.7 76.5 -74.0 -22.0 9.7 -16.9 -29.0 58 57 B F T 3< S+ 0 0 70 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.839 94.2 49.3 -52.9 -39.3 10.3 -13.2 -28.3 59 58 B F T X> S- 0 0 45 -3,-0.8 4,-1.3 -4,-0.3 3,-0.6 0.175 95.5-155.2 -93.7 16.0 6.8 -12.4 -29.7 60 59 B G H <> + 0 0 15 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 -0.180 66.5 8.8 54.3-125.5 5.0 -15.1 -27.7 61 60 B A H >> S+ 0 0 41 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.931 138.0 38.5 -60.0 -58.1 1.7 -16.3 -29.2 62 61 B E H <> S+ 0 0 65 -3,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.844 112.0 64.0 -58.0 -34.1 1.9 -14.7 -32.6 63 62 B G H 3X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.848 99.7 49.7 -61.2 -38.5 5.6 -15.4 -32.6 64 63 B W H < S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.904 110.3 51.1 -63.4 -41.3 8.7 -19.3 -41.8 71 70 B I H >< S+ 0 0 11 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.947 109.5 49.5 -60.5 -46.3 9.5 -23.0 -41.8 72 71 B R H 3< S+ 0 0 173 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.594 100.0 67.3 -73.4 -9.7 6.8 -23.8 -44.3 73 72 B A T << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.437 79.0 101.7 -84.7 -0.6 8.1 -20.9 -46.5 74 73 B V S < S- 0 0 19 -3,-1.8 3,-0.1 -4,-0.2 6,-0.1 -0.747 82.8-111.5 -85.8 127.0 11.3 -23.0 -47.1 75 74 B P > - 0 0 52 0, 0.0 3,-1.6 0, 0.0 2,-0.1 -0.276 39.4 -96.5 -57.9 139.9 11.4 -24.8 -50.5 76 75 B A T 3 S+ 0 0 110 1,-0.2 -4,-0.0 -4,-0.1 0, 0.0 -0.346 110.5 36.9 -59.0 129.6 11.1 -28.6 -50.4 77 76 B G T 3 S+ 0 0 33 1,-0.4 -1,-0.2 -3,-0.1 -66,-0.2 -0.159 90.4 97.6 117.7 -38.1 14.5 -30.2 -50.5 78 77 B I S < S- 0 0 4 -3,-1.6 -1,-0.4 -30,-0.0 -30,-0.2 -0.764 74.2-136.9 -78.1 119.1 16.3 -27.6 -48.5 79 78 B P - 0 0 0 0, 0.0 -30,-2.1 0, 0.0 2,-0.5 -0.419 8.7-135.4 -79.5 159.2 16.4 -29.0 -44.9 80 79 B V B -c 49 0A 2 -32,-0.2 27,-2.3 25,-0.1 28,-1.6 -0.965 7.9-158.1-122.3 116.7 15.7 -27.0 -41.9 81 80 B V E -d 108 0A 0 -32,-2.5 2,-0.7 -2,-0.5 28,-0.2 -0.828 12.9-149.6 -89.9 114.5 17.8 -27.1 -38.7 82 81 B L E -d 109 0A 3 26,-2.8 28,-1.8 -2,-0.7 2,-1.1 -0.774 4.4-153.9 -85.5 119.4 15.8 -25.9 -35.7 83 82 B D E +i 52 0B 11 -32,-2.1 -30,-1.6 -2,-0.7 -29,-0.4 -0.787 49.0 126.6 -97.9 95.9 18.2 -24.2 -33.2 84 83 B A E - 0 0 4 -2,-1.1 -1,-0.2 26,-0.4 27,-0.1 0.490 59.7-137.4-126.9 -16.5 16.4 -24.7 -30.0 85 84 B K E - 0 0 23 -3,-0.3 26,-0.3 25,-0.2 2,-0.1 0.957 33.2-171.4 48.2 65.3 19.0 -26.4 -27.8 86 85 B R E +d 111 0A 8 24,-1.7 26,-1.7 10,-0.0 2,-0.1 -0.413 21.0 141.0 -84.8 160.9 16.6 -29.0 -26.2 87 86 B G + 0 0 11 24,-0.2 2,-0.2 -2,-0.1 33,-0.1 -0.321 13.3 121.2 159.4 112.0 17.4 -31.3 -23.3 88 87 B D - 0 0 19 31,-0.4 2,-0.1 -2,-0.1 497,-0.0 -0.836 67.4 -39.8-154.3-167.0 15.5 -32.6 -20.4 89 88 B I >> - 0 0 47 -2,-0.2 4,-3.2 1,-0.1 3,-0.9 -0.379 64.5-105.6 -63.6 147.6 14.3 -35.9 -18.9 90 89 B A H 3> S+ 0 0 38 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.825 119.0 52.4 -43.0 -47.8 13.1 -38.5 -21.5 91 90 B D H 3> S+ 0 0 102 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.880 117.2 38.6 -60.9 -40.9 9.4 -38.0 -20.7 92 91 B T H X> S+ 0 0 5 -3,-0.9 4,-1.0 1,-0.2 3,-0.6 0.875 109.1 62.2 -73.5 -41.2 9.6 -34.2 -21.1 93 92 B A H 3X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.768 93.8 64.3 -59.0 -28.2 12.0 -34.5 -24.0 94 93 B D H 3X S+ 0 0 67 -4,-1.5 4,-3.2 -5,-0.2 5,-0.3 0.925 99.7 51.4 -60.6 -47.6 9.3 -36.3 -26.0 95 94 B A H S+ 0 0 30 -4,-3.2 4,-3.0 2,-0.2 5,-1.7 0.967 110.9 52.8 -60.5 -50.5 7.2 -34.0 -31.2 99 98 B S H <>S+ 0 0 3 -4,-1.6 5,-2.6 -5,-0.3 6,-0.2 0.876 116.5 38.7 -53.1 -45.5 6.9 -30.2 -31.2 100 99 B A H <5S+ 0 0 2 -4,-1.9 6,-2.5 3,-0.2 -1,-0.2 0.952 127.3 29.6 -71.3 -52.5 10.0 -29.8 -33.4 101 100 B F H <5S+ 0 0 5 -4,-2.6 -3,-0.2 4,-0.2 -2,-0.2 0.829 131.4 26.6 -83.8 -34.8 9.6 -32.8 -35.8 102 101 B K T <5S+ 0 0 81 -4,-3.0 -3,-0.2 -5,-0.4 -4,-0.1 0.822 129.5 31.7-103.2 -38.9 5.9 -33.3 -36.1 103 102 B H T S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 6,-0.1 0.534 72.0 97.4 -85.6 -8.6 24.9 -33.0 -24.3 114 113 B Y T 3 S+ 0 0 2 1,-0.3 480,-0.3 479,-0.1 479,-0.3 0.796 76.9 54.0 -58.9 -35.9 24.9 -32.3 -20.5 115 114 B M T 3 S- 0 0 9 -3,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.373 108.3-121.6 -86.5 8.0 22.0 -34.6 -19.6 116 115 B G X> - 0 0 0 -3,-2.1 4,-0.6 1,-0.2 3,-0.6 -0.193 40.6 -53.3 83.3-176.1 23.6 -37.7 -21.2 117 116 B S H >> S+ 0 0 48 1,-0.2 4,-2.0 472,-0.2 3,-0.9 0.850 126.3 61.2 -72.4 -37.6 22.3 -40.1 -23.9 118 117 B D H 34 S+ 0 0 42 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.742 104.3 52.9 -65.0 -20.6 18.9 -41.0 -22.4 119 118 B S H <4 S+ 0 0 0 -3,-0.6 -31,-0.4 -4,-0.3 -1,-0.3 0.735 112.5 43.6 -82.6 -25.5 18.0 -37.3 -22.7 120 119 B L H XX S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.6 3,-1.6 0.659 93.7 83.0 -90.6 -20.2 19.0 -37.2 -26.3 121 120 B Q H 3X S+ 0 0 47 -4,-2.0 4,-1.8 1,-0.3 5,-0.2 0.826 81.7 61.1 -55.2 -37.5 17.3 -40.5 -27.2 122 121 B P H 34 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.756 114.5 36.2 -65.9 -20.5 13.9 -39.0 -27.6 123 122 B F H X4 S+ 0 0 0 -3,-1.6 3,-1.2 2,-0.1 -2,-0.2 0.864 116.1 51.9 -89.2 -47.3 15.3 -36.9 -30.4 124 123 B M H 3< S+ 0 0 15 -4,-2.5 -3,-0.2 1,-0.2 46,-0.1 0.628 92.9 74.2 -70.0 -17.4 17.7 -39.4 -31.9 125 124 B R T 3< S+ 0 0 117 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.788 74.5 86.8 -69.6 -29.1 15.0 -42.1 -32.2 126 125 B Y X - 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0 0 28 -5,-2.5 -1,-0.2 -8,-0.1 2,-0.2 -0.860 54.9-128.6-101.5 126.7 49.6 -49.1 -63.7 412 417 B D - 0 0 101 -2,-0.5 -20,-2.7 -22,-0.3 2,-0.3 -0.506 33.1-174.6 -71.8 140.9 47.8 -45.8 -62.8 413 418 B F E +p 392 0F 25 -22,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.969 15.7 169.0-141.2 148.8 49.7 -43.4 -60.6 414 419 B E E -p 393 0F 75 -22,-1.8 -20,-2.1 -2,-0.3 2,-0.3 -0.957 14.3-153.5-158.5 146.1 49.4 -40.1 -58.8 415 420 B A E -p 394 0F 24 -2,-0.3 -20,-0.2 -22,-0.2 3,-0.1 -0.908 17.4-141.2-118.7 150.5 51.3 -38.1 -56.2 416 421 B V E S+ 0 0 9 -22,-1.9 -158,-0.4 -21,-0.4 2,-0.3 0.922 90.0 3.8 -69.6 -49.6 50.0 -35.5 -53.6 417 422 B V E -p 396 0F 2 -22,-2.5 -20,-2.0 -23,-0.2 -1,-0.3 -0.992 68.7-141.6-136.9 144.8 53.0 -33.2 -54.1 418 423 B G E > -p 397 0F 5 -2,-0.3 4,-1.5 -22,-0.2 -20,-0.2 -0.686 29.3-113.2 -98.6 160.1 56.0 -33.2 -56.5 419 424 B L H > S+ 0 0 1 -22,-1.6 4,-1.0 -2,-0.3 3,-0.2 0.892 119.4 49.0 -60.9 -41.8 59.5 -32.2 -55.5 420 425 B H H >4 S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.924 108.3 54.6 -60.6 -45.0 59.4 -29.2 -57.8 421 426 B Q H 3> S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.787 100.9 59.8 -62.0 -28.5 56.0 -28.2 -56.4 422 427 B L H 3X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.865 90.0 73.6 -68.2 -33.7 57.4 -28.2 -52.8 423 428 B L H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.876 104.9 32.7 -47.9 -54.2 59.9 -25.5 -53.7 424 429 B P H > S+ 0 0 52 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.764 114.2 62.7 -77.1 -20.7 57.4 -22.6 -53.9 425 430 B L H < S+ 0 0 39 -4,-0.9 -2,-0.2 1,-0.2 -161,-0.2 0.777 111.4 35.7 -73.3 -28.7 55.2 -24.1 -51.2 426 431 B W T <>S+ 0 0 0 -4,-2.0 5,-1.3 -3,-0.2 6,-1.2 0.271 108.3 63.6-112.0 11.9 58.0 -23.9 -48.6 427 432 B R T >45S+ 0 0 121 -3,-0.3 3,-0.6 -5,-0.2 -2,-0.2 0.637 96.0 63.4 -90.0 -24.5 59.3 -20.7 -49.9 428 433 B K T 3<5S+ 0 0 114 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.508 116.2 27.5 -75.9 -6.4 55.9 -19.3 -48.9 429 434 B S T 3 5S- 0 0 31 3,-0.1 -1,-0.2 -169,-0.1 -2,-0.1 0.181 109.0-114.8-137.7 12.1 56.7 -20.1 -45.3 430 435 B N T < 5 + 0 0 140 -3,-0.6 -3,-0.2 1,-0.1 -4,-0.1 0.736 68.3 142.5 56.8 27.6 60.5 -19.9 -45.3 431 436 B A < + 0 0 20 -5,-1.3 2,-0.3 -6,-0.1 -4,-0.2 0.692 69.3 35.0 -67.9 -17.2 60.8 -23.6 -44.6 432 437 B I S S- 0 0 7 -6,-1.2 2,-0.1 -9,-0.1 -3,-0.1 -0.964 83.4-122.1-141.0 146.1 63.8 -23.7 -46.9 433 438 B T > - 0 0 82 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.399 28.7-111.5 -88.2 168.6 66.6 -21.2 -47.7 434 439 B S H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.819 121.1 47.4 -73.6 -28.9 67.3 -19.9 -51.2 435 440 B Q H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 110.8 52.0 -72.6 -41.9 70.6 -21.8 -51.4 436 441 B Q H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.801 112.1 47.5 -64.2 -31.1 68.7 -24.9 -50.2 437 442 B E H X S+ 0 0 21 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.917 109.0 53.3 -71.8 -44.5 66.3 -24.2 -53.0 438 443 B A H X S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.872 109.3 48.1 -59.1 -42.1 69.1 -23.7 -55.6 439 444 B D H X S+ 0 0 78 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.877 113.5 45.7 -70.8 -41.3 70.7 -27.0 -54.8 440 445 B V H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.934 114.1 50.1 -64.2 -46.4 67.5 -29.0 -54.9 441 446 B R H X S+ 0 0 116 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.937 113.4 45.4 -57.3 -49.1 66.6 -27.2 -58.1 442 447 B A H < S+ 0 0 70 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.806 108.4 57.1 -65.2 -34.0 70.0 -28.0 -59.7 443 448 B F H >< S+ 0 0 23 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.897 106.6 49.8 -64.4 -39.0 69.9 -31.6 -58.5 444 449 B L H >< S+ 0 0 7 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.786 93.4 75.0 -69.9 -28.1 66.6 -32.1 -60.4 445 450 B G T 3< S+ 0 0 67 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 80.7 72.9 -59.8 -18.2 68.0 -30.6 -63.6 446 451 B Q T < 0 0 166 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.656 360.0 360.0 -71.2 -16.6 70.0 -33.9 -64.1 447 452 B W < 0 0 153 -3,-2.1 -1,-0.2 -4,-0.1 -46,-0.1 -0.554 360.0 360.0-106.8 360.0 66.8 -35.7 -65.1 448 !* 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 0.0 449 0 C T 0 0 141 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 10.9 -4.2 -6.0 450 1 C M - 0 0 62 4,-0.0 126,-0.0 126,-0.0 2,-0.0 -0.995 360.0-131.6-138.9 135.2 11.4 -7.7 -4.3 451 2 C S > - 0 0 21 -2,-0.4 4,-1.8 1,-0.1 126,-0.2 -0.196 26.5-107.0 -77.4 170.6 13.7 -10.5 -5.4 452 3 C F H > S+ 0 0 0 124,-1.9 4,-2.6 1,-0.2 5,-0.1 0.871 119.9 50.1 -62.4 -41.9 12.9 -14.2 -5.9 453 4 C F H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.724 105.0 58.2 -76.8 -22.5 14.7 -15.2 -2.7 454 5 C D H > S+ 0 0 97 2,-0.2 4,-1.3 122,-0.2 -2,-0.2 0.974 113.2 38.9 -64.4 -56.3 12.8 -12.6 -0.7 455 6 C L H X S+ 0 0 46 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.880 118.7 49.1 -58.5 -44.1 9.5 -14.2 -1.8 456 7 C L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.925 105.4 53.6 -68.4 -48.3 10.8 -17.7 -1.4 457 8 C N H X S+ 0 0 71 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.833 105.5 58.7 -55.2 -33.0 12.4 -17.4 2.1 458 9 C E H < S+ 0 0 134 -4,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.926 112.3 37.1 -59.7 -48.5 9.0 -16.2 3.2 459 10 C R H >X S+ 0 0 58 -4,-1.3 4,-3.8 -3,-0.3 3,-1.0 0.694 107.7 67.4 -76.9 -19.9 7.3 -19.4 2.0 460 11 C A H 3< S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 89.0 64.2 -74.5 -26.0 10.3 -21.4 3.2 461 12 C K T 3< S+ 0 0 137 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.698 119.8 25.8 -62.3 -19.8 9.5 -20.5 6.8 462 13 C R T <4 S- 0 0 191 -3,-1.0 2,-0.3 1,-0.4 -2,-0.2 0.792 130.3 -7.7-110.7 -47.5 6.3 -22.6 6.0 463 14 C S < - 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