==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-SEP-11 3TV1 . COMPND 2 MOLECULE: RNA 3'-TERMINAL PHOSPHATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.K.CHAKRAVARTY,P.SMITH,S.SHUMAN . 672 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 18.5 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 0.6 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 . 2 0.3 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 . 50 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 0 0 2 0 2 0 0 0 2 5 5 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 0 2 0 0 3 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 . 2 0 4 2 1 2 6 0 0 2 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 4 2 0 0 1 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 4 A R 0 0 194 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.5 2.9 -9.4 5.3 2 5 A M - 0 0 62 27,-0.1 2,-0.5 29,-0.1 29,-0.2 -0.657 360.0-145.8 -75.8 116.2 0.3 -11.4 3.3 3 6 A I E -a 31 0A 10 27,-2.7 29,-2.4 -2,-0.6 2,-0.6 -0.736 9.0-149.3 -85.7 122.2 -3.1 -9.9 3.9 4 7 A A E -a 32 0A 60 -2,-0.5 2,-0.4 27,-0.2 29,-0.2 -0.835 16.8-174.9 -98.6 120.1 -5.8 -12.5 3.9 5 8 A L E -a 33 0A 11 27,-3.4 29,-2.2 -2,-0.6 2,-0.5 -0.885 15.5-142.0-116.5 146.9 -9.3 -11.3 2.6 6 9 A D E -a 34 0A 85 -2,-0.4 3,-0.3 27,-0.2 29,-0.2 -0.917 13.5-175.8-112.5 124.3 -12.5 -13.2 2.6 7 10 A G > > + 0 0 2 27,-3.1 3,-2.2 -2,-0.5 5,-0.7 0.499 62.4 98.0 -90.6 -4.9 -15.0 -12.9 -0.3 8 11 A A T 3 5S+ 0 0 63 26,-0.3 -1,-0.2 1,-0.3 31,-0.1 0.797 79.7 55.0 -56.5 -31.9 -17.7 -15.1 1.2 9 12 A Q T 3 5S- 0 0 192 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.405 123.0 -82.6 -84.0 3.2 -19.6 -12.1 2.5 10 13 A G T < 5S+ 0 0 27 -3,-2.2 -1,-0.3 299,-0.0 6,-0.1 -0.190 102.8 58.8 114.1 153.8 -19.9 -10.4 -0.9 11 14 A E T > + 0 0 77 -3,-0.1 5,-1.7 -2,-0.1 6,-1.0 0.616 56.4 138.0 67.8 15.9 -17.9 -8.2 -3.2 12 15 A G T 5S- 0 0 10 3,-0.1 4,-2.8 4,-0.0 5,-0.2 0.628 122.7 -2.1-105.4-110.0 -16.1 -6.5 -6.8 15 18 A Q H >5S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.871 130.8 51.3 -62.9 -38.7 -15.3 -3.8 -4.3 16 19 A I H > S+ 0 0 1 -6,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.939 113.9 47.2 -57.5 -51.9 -11.0 -6.9 -5.3 18 21 A R H X S+ 0 0 32 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.930 117.1 41.2 -61.8 -47.0 -10.8 -3.3 -6.6 19 22 A S H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.878 113.5 53.4 -70.2 -35.6 -9.7 -1.7 -3.4 20 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.908 106.1 54.6 -66.3 -40.8 -7.4 -4.5 -2.4 21 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.965 114.1 38.5 -57.1 -52.9 -5.6 -4.2 -5.8 22 25 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.927 117.3 48.6 -69.8 -42.3 -4.9 -0.5 -5.4 23 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 6,-0.4 0.877 111.9 51.2 -61.3 -38.7 -4.1 -0.6 -1.7 24 27 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.950 111.9 46.5 -62.5 -49.5 -1.8 -3.5 -2.3 25 28 A M H < S+ 0 0 8 -4,-2.4 56,-0.3 -5,-0.3 -2,-0.2 0.898 115.6 46.9 -58.4 -42.6 -0.0 -1.6 -5.1 26 29 A I H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 122.5 31.5 -66.5 -46.2 0.3 1.5 -2.9 27 30 A T H < S- 0 0 46 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.665 98.3-124.8 -92.0 -20.2 1.5 -0.2 0.3 28 31 A G < + 0 0 35 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.448 65.3 136.0 88.0 0.3 3.6 -3.1 -1.2 29 32 A Q - 0 0 40 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.716 47.9-140.4 -85.4 122.5 1.6 -5.6 0.9 30 33 A P - 0 0 8 0, 0.0 -27,-2.7 0, 0.0 2,-0.3 -0.312 21.6-165.3 -71.7 163.8 0.5 -8.7 -1.0 31 34 A F E -aB 3 76A 0 45,-2.0 45,-2.6 -29,-0.2 2,-0.4 -0.983 17.7-151.4-147.3 160.7 -2.9 -10.2 -0.5 32 35 A T E -aB 4 75A 18 -29,-2.4 -27,-3.4 -2,-0.3 2,-0.5 -1.000 8.9-160.3-130.0 132.9 -5.0 -13.3 -1.1 33 36 A I E -aB 5 74A 0 41,-2.4 41,-2.3 -2,-0.4 2,-0.3 -0.961 13.9-169.3-110.1 132.0 -8.8 -13.3 -1.5 34 37 A T E +a 6 0A 61 -29,-2.2 -27,-3.1 -2,-0.5 -26,-0.3 -0.816 61.3 26.4-116.0 160.7 -10.5 -16.6 -0.9 35 38 A S S > S- 0 0 46 37,-0.5 3,-1.2 -2,-0.3 2,-0.5 0.857 73.8-169.3 60.5 39.4 -14.1 -17.7 -1.6 36 39 A I T 3 S- 0 0 0 36,-2.0 8,-1.2 1,-0.3 -1,-0.2 -0.488 70.5 -25.1 -63.1 111.5 -14.6 -15.2 -4.4 37 40 A R T > S+ 0 0 56 -2,-0.5 3,-1.5 -30,-0.4 -1,-0.3 0.832 83.8 162.2 53.9 40.6 -18.3 -15.2 -5.2 38 41 A A T < + 0 0 51 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.741 68.7 52.5 -62.7 -26.4 -18.7 -18.8 -3.9 39 42 A G T 3 S+ 0 0 76 -4,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.235 86.9 103.3 -99.7 13.2 -22.5 -18.5 -3.6 40 43 A R S < S- 0 0 157 -3,-1.5 0, 0.0 1,-0.1 0, 0.0 -0.808 78.8-123.3 -99.0 139.7 -23.1 -17.3 -7.1 41 44 A A S S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.836 115.7 36.6 -48.1 -43.0 -24.5 -19.6 -9.8 42 45 A K S S- 0 0 147 2,-0.1 -1,-0.3 -3,-0.0 28,-0.1 -0.883 100.6-162.8-107.8 94.3 -21.5 -18.8 -11.9 43 46 A P + 0 0 46 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 -0.226 35.3 19.2 -82.7 164.8 -18.9 -18.6 -9.1 44 47 A G S S- 0 0 0 -8,-1.2 28,-0.2 -7,-0.3 2,-0.2 -0.218 103.3 -4.2 81.5-165.6 -15.4 -17.1 -8.9 45 48 A L - 0 0 1 26,-1.8 25,-2.7 23,-0.4 26,-0.2 -0.411 64.0-157.4 -67.4 130.3 -13.6 -14.5 -11.1 46 49 A L >> - 0 0 29 23,-0.2 4,-1.9 -2,-0.2 3,-0.7 -0.508 36.6 -91.4-100.3 174.5 -15.6 -13.3 -14.1 47 50 A R H 3> S+ 0 0 148 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.891 125.2 52.5 -57.1 -44.3 -14.1 -11.8 -17.2 48 51 A Q H 3> S+ 0 0 63 45,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.820 107.6 53.5 -62.7 -31.2 -14.3 -8.2 -15.9 49 52 A H H <> S+ 0 0 25 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.917 107.2 49.3 -68.3 -45.1 -12.5 -9.2 -12.7 50 53 A L H X S+ 0 0 20 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.874 107.4 56.4 -62.1 -37.9 -9.6 -10.7 -14.6 51 54 A T H X S+ 0 0 19 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.932 108.8 46.4 -58.0 -46.6 -9.3 -7.6 -16.7 52 55 A A H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.911 114.4 47.6 -62.0 -43.2 -9.0 -5.5 -13.5 53 56 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 112.0 49.2 -63.7 -43.2 -6.4 -7.9 -12.1 54 57 A K H X S+ 0 0 118 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.891 109.9 52.4 -66.3 -38.6 -4.4 -7.9 -15.4 55 58 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.932 111.4 45.3 -60.5 -47.9 -4.5 -4.1 -15.5 56 59 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 6,-0.2 0.913 111.5 54.4 -61.5 -42.8 -3.1 -3.9 -11.9 57 60 A T H X>S+ 0 0 34 -4,-2.5 5,-1.3 1,-0.2 4,-1.2 0.922 108.8 47.8 -55.4 -46.9 -0.5 -6.5 -12.8 58 61 A E H <5S+ 0 0 111 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.897 110.0 52.7 -64.8 -38.4 0.7 -4.5 -15.8 59 62 A I H <5S+ 0 0 0 -4,-2.0 23,-2.4 1,-0.2 -1,-0.2 0.843 125.0 22.2 -68.5 -32.9 0.9 -1.3 -13.8 60 63 A C H <5S- 0 0 1 -4,-1.8 19,-1.0 21,-0.2 -1,-0.2 0.257 100.9-114.4-123.3 13.3 3.1 -2.7 -11.0 61 64 A G T <5 - 0 0 62 -4,-1.2 -3,-0.2 -3,-0.3 19,-0.1 0.909 54.2-176.9 54.7 46.8 4.8 -5.8 -12.4 62 65 A A < - 0 0 15 -5,-1.3 2,-0.4 -6,-0.2 -1,-0.1 -0.305 28.6-135.1 -80.2 155.1 2.9 -8.1 -10.1 63 66 A T E -C 77 0A 90 14,-2.4 14,-2.9 -2,-0.1 2,-0.3 -0.919 32.0-173.4-101.8 138.1 3.1 -11.8 -9.6 64 67 A V E -C 76 0A 48 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.951 19.4-162.4-137.0 150.1 -0.3 -13.5 -9.3 65 68 A E E S+C 75 0A 93 10,-2.3 10,-3.0 -2,-0.3 3,-0.1 -0.994 76.9 16.2-127.7 138.9 -1.8 -16.9 -8.6 66 69 A G + 0 0 16 -2,-0.4 2,-2.3 8,-0.2 7,-0.2 0.628 69.3 147.0 81.8 12.9 -5.3 -18.0 -9.4 67 70 A A + 0 0 31 8,-0.1 2,-0.3 3,-0.1 -1,-0.2 -0.416 37.6 116.4 -81.0 66.4 -6.0 -15.3 -11.9 68 71 A E S > S- 0 0 126 -2,-2.3 3,-2.0 -3,-0.1 -23,-0.4 -0.938 77.0 -85.9-132.1 153.5 -8.2 -17.6 -14.0 69 72 A L T 3 S+ 0 0 106 -2,-0.3 -23,-0.2 1,-0.3 3,-0.1 -0.389 114.8 14.0 -60.4 131.6 -11.9 -17.5 -14.9 70 73 A G T 3 S+ 0 0 39 -25,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.293 89.2 142.4 87.6 -8.4 -14.0 -19.2 -12.2 71 74 A S < - 0 0 24 -3,-2.0 -26,-1.8 -26,-0.2 -1,-0.3 -0.427 37.0-164.6 -66.3 136.2 -11.2 -19.2 -9.7 72 75 A Q S S+ 0 0 73 -28,-0.2 -36,-2.0 -2,-0.1 -37,-0.5 0.348 73.2 62.8-102.7 5.1 -12.3 -18.6 -6.1 73 76 A R + 0 0 107 -39,-0.2 2,-0.4 -7,-0.2 -39,-0.2 -0.997 59.9 179.7-131.7 132.4 -8.8 -17.8 -4.9 74 77 A L E -B 33 0A 0 -41,-2.3 -41,-2.4 -2,-0.4 2,-0.4 -0.993 6.7-169.2-134.6 128.3 -6.6 -15.0 -6.0 75 78 A L E -BC 32 65A 6 -10,-3.0 -10,-2.3 -2,-0.4 2,-0.4 -0.967 7.9-176.5-119.2 135.5 -3.1 -14.1 -4.8 76 79 A F E -BC 31 64A 0 -45,-2.6 -45,-2.0 -2,-0.4 -12,-0.2 -0.985 12.3-177.3-137.9 118.8 -1.4 -10.9 -5.7 77 80 A R E - C 0 63A 118 -14,-2.9 -14,-2.4 -2,-0.4 -48,-0.1 -0.943 26.4-142.9-118.4 108.3 2.1 -9.7 -4.9 78 81 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -17,-0.1 -0.275 11.9-161.0 -73.7 152.2 2.7 -6.2 -6.2 79 82 A G - 0 0 32 -19,-1.0 2,-0.3 1,-0.1 -18,-0.2 -0.303 51.5 -45.4-105.4-159.3 5.8 -4.8 -7.7 80 83 A T - 0 0 89 -2,-0.2 2,-0.5 -19,-0.1 -1,-0.1 -0.538 59.3-119.5 -75.3 134.0 6.8 -1.2 -8.1 81 84 A V - 0 0 14 -56,-0.3 30,-0.6 -2,-0.3 2,-0.4 -0.607 30.8-159.7 -74.3 117.9 4.0 1.1 -9.5 82 85 A R - 0 0 132 -23,-2.4 28,-0.1 -2,-0.5 -21,-0.1 -0.829 6.8-141.3-101.8 134.9 5.2 2.7 -12.7 83 86 A G + 0 0 17 -2,-0.4 2,-0.3 26,-0.1 31,-0.2 -0.018 51.5 89.5 -68.2-173.3 3.6 5.9 -14.2 84 87 A G E S-d 114 0B 28 29,-1.3 31,-2.2 28,-0.1 2,-0.5 -0.753 76.9 -30.4 122.9-163.8 3.1 6.2 -17.9 85 88 A D E -d 115 0B 100 -2,-0.3 2,-0.4 29,-0.2 31,-0.2 -0.837 54.4-178.0-103.3 125.6 0.6 5.5 -20.6 86 89 A Y E -d 116 0B 19 29,-3.2 31,-2.0 -2,-0.5 2,-0.4 -0.939 13.9-169.3-125.5 145.2 -1.8 2.6 -20.3 87 90 A R E -d 117 0B 150 -2,-0.4 2,-0.3 29,-0.2 31,-0.2 -0.984 11.7-179.9-131.1 120.4 -4.5 1.1 -22.5 88 91 A F E -d 118 0B 16 29,-2.8 31,-2.7 -2,-0.4 2,-0.5 -0.905 14.5-154.5-120.1 151.4 -6.9 -1.5 -21.1 89 92 A A E +d 119 0B 71 -2,-0.3 31,-0.2 29,-0.2 29,-0.1 -0.936 22.1 162.5-127.9 108.1 -9.8 -3.3 -22.9 90 93 A I E > - 0 0 13 29,-3.5 3,-0.6 -2,-0.5 4,-0.3 0.664 31.1-162.8-101.1 -16.8 -12.6 -4.6 -20.8 91 94 A G E > -d 120 0B 31 28,-1.0 3,-1.5 1,-0.2 30,-1.4 -0.077 51.9 -42.4 65.4-168.0 -15.2 -5.0 -23.6 92 95 A S E 3 S+ 0 0 66 1,-0.3 -1,-0.2 28,-0.2 28,-0.1 0.636 128.4 75.7 -71.0 -13.3 -18.9 -5.4 -23.1 93 96 A A E < S+ 0 0 20 -3,-0.6 -45,-0.3 -46,-0.0 -1,-0.3 0.708 105.3 19.4 -69.7 -20.0 -18.2 -7.7 -20.2 94 97 A G E < S- 0 0 7 -3,-1.5 27,-1.5 -4,-0.3 2,-0.5 -0.743 78.8 -92.2-142.5-174.6 -17.2 -4.8 -18.0 95 98 A S E >> -d 121 0B 4 -2,-0.2 4,-1.6 25,-0.1 3,-0.7 -0.917 17.4-147.8-111.7 125.6 -17.2 -1.1 -17.1 96 99 A C H 3> S+ 0 0 0 25,-2.5 4,-2.0 -2,-0.5 3,-0.2 0.914 101.2 52.6 -50.9 -46.6 -14.5 1.3 -18.2 97 100 A T H 3> S+ 0 0 14 24,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.738 103.7 55.9 -70.3 -22.7 -14.9 3.4 -15.0 98 101 A L H <> S+ 0 0 34 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.856 106.4 50.0 -76.2 -35.5 -14.6 0.3 -12.7 99 102 A V H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.947 112.1 49.8 -61.1 -45.1 -11.2 -0.5 -14.2 100 103 A L H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.931 108.6 50.8 -59.6 -47.0 -10.3 3.2 -13.6 101 104 A Q H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 110.7 52.5 -57.6 -34.9 -11.5 2.9 -10.0 102 105 A T H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.1 -2,-0.2 0.915 121.6 25.5 -67.2 -44.8 -9.3 -0.1 -9.7 103 106 A V H >X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.1 3,-0.5 0.742 102.4 75.3 -98.7 -27.6 -6.0 1.4 -11.0 104 107 A L H 3X S+ 0 0 6 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.880 89.2 58.0 -60.4 -43.2 -6.1 5.2 -10.4 105 108 A P H 34 S+ 0 0 9 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.887 107.1 50.6 -56.7 -36.0 -5.5 5.2 -6.6 106 109 A A H X4 S+ 0 0 0 -3,-0.5 3,-1.9 -4,-0.3 -2,-0.2 0.866 104.6 57.4 -64.0 -37.0 -2.2 3.3 -7.3 107 110 A L H >< S+ 0 0 1 -4,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.711 89.9 71.0 -74.1 -18.0 -1.2 5.9 -9.9 108 111 A W T 3< S+ 0 0 11 -4,-1.3 64,-2.3 -3,-0.4 -1,-0.3 0.687 105.5 43.5 -62.5 -17.1 -1.5 8.6 -7.3 109 112 A F T < S+ 0 0 87 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.230 89.1 118.2-114.4 12.2 1.6 7.0 -6.0 110 113 A A S < S- 0 0 8 -3,-1.2 -28,-0.2 2,-0.2 4,-0.1 -0.225 76.2-112.1 -71.6 169.6 3.5 6.4 -9.2 111 114 A D S S+ 0 0 110 -30,-0.6 -1,-0.1 2,-0.1 -29,-0.1 0.548 93.0 3.4 -82.1 -7.6 6.8 8.1 -9.9 112 115 A G S S- 0 0 17 -5,-0.1 -2,-0.2 -28,-0.0 -28,-0.1 -0.946 96.6 -54.8-161.2 180.0 5.3 10.3 -12.6 113 116 A P - 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0 0 2 -2,-0.3 4,-1.7 21,-0.1 -2,-0.1 -0.309 31.1 -91.7 -90.0 176.8 -15.3 31.3 -39.8 617 283 B E H > S+ 0 0 31 1,-0.2 4,-0.6 2,-0.2 24,-0.3 0.806 122.3 39.1 -61.9 -33.1 -15.2 35.1 -40.2 618 284 B Y H >> S+ 0 0 118 2,-0.2 4,-1.0 1,-0.2 3,-0.9 0.928 111.9 53.7 -84.7 -48.8 -14.5 36.0 -36.5 619 285 B L H >> S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.849 99.9 68.8 -51.4 -34.6 -12.1 33.2 -35.7 620 286 B A H >X S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.3 4,-0.8 0.913 99.3 44.9 -53.7 -46.9 -10.1 34.4 -38.7 621 287 B D H << S+ 0 0 6 -3,-0.9 4,-0.4 -4,-0.6 -1,-0.3 0.753 110.8 55.2 -75.3 -19.0 -9.1 37.7 -37.1 622 288 B Q H << S+ 0 0 25 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.485 103.3 55.3 -90.0 -6.8 -8.2 36.0 -33.9 623 289 B L H S+ 0 0 14 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.947 115.1 43.0 -63.2 -50.6 -1.6 37.2 -34.1 626 292 B P H > S+ 0 0 3 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.889 115.4 49.9 -67.2 -33.4 -0.8 33.7 -32.8 627 293 B M H X>S+ 0 0 2 -4,-2.4 5,-1.3 2,-0.2 4,-1.0 0.921 110.2 51.0 -68.3 -39.1 0.1 32.4 -36.2 628 294 B A H ><5S+ 0 0 3 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.907 107.8 51.6 -62.5 -42.7 2.4 35.4 -36.8 629 295 B L H 3<5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.8 53.6 -62.5 -31.4 4.2 34.8 -33.5 630 296 B A H 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.718 109.6-130.5 -73.7 -21.1 4.6 31.2 -34.6 631 297 B G T <<5S+ 0 0 42 -4,-1.0 2,-0.3 -3,-0.7 -3,-0.2 0.431 76.7 44.4 86.0 0.6 6.2 32.6 -37.8 632 298 B A < + 0 0 29 -5,-1.3 -117,-0.6 -119,-0.2 2,-0.2 -0.984 59.0 102.9-168.5 156.0 4.1 30.4 -40.0 633 299 B G E -a 515 0J 6 39,-0.3 39,-2.4 -2,-0.3 2,-0.3 -0.791 29.5-150.3 148.9 172.2 0.6 29.0 -40.7 634 300 B E E +aC 516 671J 39 -119,-2.4 -117,-2.8 -2,-0.2 2,-0.3 -0.979 10.1 175.7-164.7 158.7 -2.4 29.3 -42.9 635 301 B F E - C 0 670J 0 35,-2.4 35,-3.0 -2,-0.3 2,-0.4 -0.972 26.4-120.4-155.6 166.1 -6.2 28.9 -43.1 636 302 B T E - C 0 669J 24 -2,-0.3 -21,-0.7 -118,-0.2 2,-0.3 -0.867 26.8-178.1-106.1 148.6 -9.0 29.5 -45.5 637 303 B V E -bC 615 668J 0 31,-2.4 31,-2.5 -2,-0.4 -21,-0.1 -0.997 27.3-140.8-145.3 141.5 -12.0 31.8 -44.8 638 304 B A S S+ 0 0 39 -23,-0.5 -1,-0.1 -2,-0.3 -22,-0.1 0.896 94.4 25.1 -67.4 -42.7 -15.1 32.6 -46.9 639 305 B H S S- 0 0 109 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.806 71.8-149.9-133.0 93.6 -15.2 36.3 -46.0 640 306 B P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -23,-0.1 -0.452 29.7-146.6 -59.1 119.8 -12.0 38.2 -45.0 641 307 B S > - 0 0 19 -24,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.358 23.2-108.3 -91.9 169.9 -13.3 40.9 -42.7 642 308 B S H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 122.2 53.3 -62.2 -39.0 -12.2 44.4 -42.0 643 309 B N H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.894 105.6 52.6 -60.8 -43.7 -10.9 43.3 -38.6 644 310 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.938 112.9 44.1 -58.4 -47.7 -8.9 40.5 -40.3 645 311 B L H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 112.2 53.1 -64.3 -41.2 -7.3 43.0 -42.6 646 312 B T H X S+ 0 0 32 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.929 110.3 47.6 -59.9 -45.1 -6.7 45.5 -39.8 647 313 B N H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.922 109.4 51.9 -64.1 -45.7 -5.0 42.8 -37.7 648 314 B I H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.932 109.6 51.2 -54.8 -45.8 -2.8 41.7 -40.5 649 315 B A H X S+ 0 0 53 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.901 112.2 45.0 -60.5 -43.7 -1.7 45.3 -41.1 650 316 B V H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.914 111.9 52.1 -67.0 -43.5 -0.8 45.9 -37.4 651 317 B V H >X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 3,-0.6 0.909 106.2 54.2 -59.3 -40.9 1.0 42.6 -37.1 652 318 B E H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.0 55.3 -68.4 -24.2 3.1 43.3 -40.1 653 319 B R H 3< S+ 0 0 123 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.802 118.8 31.7 -73.3 -31.9 4.2 46.6 -38.5 654 320 B F H << S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.762 119.6 48.0 -96.5 -28.8 5.5 44.8 -35.4 655 321 B L S < S- 0 0 23 -4,-3.0 2,-1.3 -5,-0.2 -1,-0.1 -0.847 77.8-120.6-122.1 150.9 6.7 41.5 -36.7 656 322 B P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.217 77.3 112.8 -81.0 44.5 8.9 40.4 -39.7 657 323 B V - 0 0 14 -2,-1.3 2,-0.4 -6,-0.3 -2,-0.1 -0.864 50.4-158.2-115.5 153.3 6.1 38.4 -41.1 658 324 B R - 0 0 118 15,-0.5 15,-3.7 -2,-0.3 2,-0.3 -0.999 7.2-154.4-131.8 129.7 4.1 38.9 -44.4 659 325 B F E -D 672 0J 15 -2,-0.4 2,-0.4 13,-0.3 13,-0.2 -0.739 2.4-154.0 -95.5 147.6 0.6 37.4 -45.0 660 326 B S E -D 671 0J 19 11,-3.1 11,-2.4 -2,-0.3 2,-0.5 -0.968 1.1-161.4-114.1 143.4 -0.8 36.7 -48.4 661 327 B L E +D 670 0J 64 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.925 15.2 176.2-121.8 104.7 -4.6 36.7 -49.1 662 328 B I E -D 669 0J 90 7,-2.1 7,-3.0 -2,-0.5 2,-0.4 -0.942 10.1-162.6-116.5 116.0 -5.4 34.8 -52.3 663 329 B E E +D 668 0J 110 -2,-0.6 2,-0.3 5,-0.3 5,-0.2 -0.844 16.2 162.8-103.5 131.9 -9.0 34.3 -53.2 664 330 B T E > S-D 667 0J 90 3,-2.2 3,-1.8 -2,-0.4 -2,-0.0 -0.981 70.6 -2.0-142.2 137.7 -10.5 31.8 -55.6 665 331 B D T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.847 130.0 -56.8 56.0 36.2 -14.1 30.6 -56.0 666 332 B G T 3 S+ 0 0 43 1,-0.2 2,-0.5 -55,-0.1 -1,-0.3 0.602 116.1 108.4 72.1 12.2 -15.1 32.8 -53.1 667 333 B V E < - D 0 664J 23 -3,-1.8 -3,-2.2 -56,-0.1 2,-0.5 -0.984 55.5-152.0-120.9 124.4 -12.6 31.3 -50.6 668 334 B T E -CD 637 663J 10 -31,-2.5 -31,-2.4 -2,-0.5 2,-0.7 -0.793 4.5-147.2 -96.0 130.4 -9.6 33.3 -49.5 669 335 B R E -CD 636 662J 102 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.6 -0.869 11.8-164.2 -94.9 115.8 -6.4 31.6 -48.4 670 336 B V E +CD 635 661J 0 -35,-3.0 -35,-2.4 -2,-0.7 2,-0.3 -0.897 23.3 162.0 -99.6 118.3 -4.7 33.5 -45.7 671 337 B S E -CD 634 660J 8 -11,-2.4 -11,-3.1 -2,-0.6 2,-0.6 -0.983 42.4-117.8-141.8 150.4 -1.1 32.4 -45.3 672 338 B I E D 0 659J 19 -39,-2.4 -39,-0.3 -2,-0.3 -13,-0.3 -0.783 360.0 360.0 -85.6 122.6 2.2 33.5 -43.9 673 339 B E 0 0 184 -15,-3.7 -15,-0.5 -2,-0.6 -1,-0.0 -0.438 360.0 360.0 -67.9 360.0 4.8 33.9 -46.6