==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-00 1G64 . COMPND 2 MOLECULE: COB(I)ALAMIN ADENOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR I.RAYMENT,J.C.ESCALANTE-SEMERENA,C.B.BAUER . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 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 . 2 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 . 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 . 29 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 2 4 0 0 1 1 0 0 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 7 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 28 A R 0 0 166 0, 0.0 125,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 99.4 21.1 48.9 46.7 2 29 A G - 0 0 0 123,-2.0 2,-0.2 122,-0.2 126,-0.2 -0.387 360.0-159.2 -81.3 157.2 17.4 47.9 46.5 3 30 A I - 0 0 3 123,-0.1 126,-2.4 -2,-0.1 2,-0.5 -0.717 20.8-108.8-123.8 176.0 15.7 46.9 43.3 4 31 A I E -a 129 0A 3 -2,-0.2 142,-2.4 124,-0.2 141,-1.2 -0.922 33.4-170.2-109.9 131.4 12.2 46.6 41.8 5 32 A I E -ab 130 146A 0 124,-2.1 126,-4.2 -2,-0.5 2,-0.5 -0.989 2.1-163.9-125.6 132.2 10.9 43.1 41.3 6 33 A V E -ab 131 147A 0 140,-1.2 142,-2.8 -2,-0.4 2,-0.6 -0.985 8.5-166.1-124.1 131.2 7.9 42.3 39.5 7 34 A F E +ab 132 148A 0 124,-3.5 126,-1.6 -2,-0.5 2,-0.2 -0.953 31.1 143.8-114.6 111.5 6.0 39.2 39.6 8 35 A T E + b 0 149A 14 140,-2.7 142,-2.5 -2,-0.6 126,-0.2 -0.631 11.5 85.5-131.4-170.9 3.5 38.9 36.9 9 36 A G S S- 0 0 8 124,-0.3 142,-0.2 140,-0.3 5,-0.1 -0.208 77.0 -80.9 101.5 165.7 1.8 36.4 34.4 10 37 A N S S+ 0 0 82 140,-0.2 141,-0.2 -2,-0.1 -1,-0.1 0.630 92.1 98.8 -84.8 -17.3 -1.2 34.0 34.7 11 38 A G S S- 0 0 4 139,-3.2 3,-0.3 -3,-0.1 139,-0.2 -0.433 84.1 -98.8 -72.1 151.8 0.5 31.1 36.5 12 39 A K S S+ 0 0 25 1,-0.2 -1,-0.1 326,-0.1 -2,-0.1 -0.382 92.0 69.1 -62.0 134.6 0.1 30.7 40.3 13 40 A G > + 0 0 6 -3,-0.1 4,-1.4 -2,-0.1 -1,-0.2 0.508 54.4 103.7 136.0 3.5 3.0 32.0 42.3 14 41 A K H > S+ 0 0 27 -3,-0.3 4,-2.1 2,-0.2 -2,-0.1 0.945 93.1 35.9 -81.4 -50.4 3.4 35.7 42.2 15 42 A T H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 117.6 56.3 -64.3 -46.7 2.1 36.5 45.7 16 43 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.916 109.3 45.8 -53.1 -42.0 3.7 33.3 46.9 17 44 A A H X S+ 0 0 1 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.883 107.7 54.4 -70.5 -40.1 7.1 34.5 45.6 18 45 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.928 111.7 48.2 -54.5 -46.5 6.8 38.0 47.0 19 46 A F H X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 5,-0.2 0.838 108.1 53.0 -60.7 -44.1 6.2 36.3 50.5 20 47 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 187,-0.4 -1,-0.2 0.747 110.4 47.6 -66.2 -24.7 9.1 33.9 50.2 21 48 A T H X S+ 0 0 0 -4,-1.4 4,-3.0 -5,-0.2 -1,-0.2 0.939 112.4 49.3 -80.1 -41.7 11.3 36.7 49.5 22 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.949 113.5 47.1 -55.9 -49.1 9.9 38.6 52.4 23 50 A A H X S+ 0 0 0 -4,-3.7 4,-2.9 1,-0.3 -1,-0.2 0.867 110.0 52.7 -60.3 -43.3 10.4 35.5 54.5 24 51 A R H < S+ 0 0 15 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.3 0.941 111.7 45.8 -58.4 -47.2 13.8 35.1 53.3 25 52 A A H ><>S+ 0 0 2 -4,-3.0 5,-2.5 332,-0.5 3,-1.2 0.872 110.7 51.5 -65.1 -37.2 14.5 38.7 54.2 26 53 A V H ><5S+ 0 0 20 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.942 104.9 58.4 -64.8 -39.9 12.8 38.4 57.7 27 54 A G T 3<5S+ 0 0 11 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.621 103.3 54.3 -64.7 -9.9 15.1 35.3 58.1 28 55 A H T < 5S- 0 0 28 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.172 124.5-102.0-109.8 17.2 18.1 37.7 57.5 29 56 A G T < 5S+ 0 0 71 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.609 75.2 150.7 74.6 14.4 17.0 40.1 60.3 30 57 A K < - 0 0 72 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.308 46.4-120.1 -77.6 157.3 15.6 42.4 57.6 31 58 A N + 0 0 86 62,-0.2 65,-1.8 -3,-0.1 64,-1.7 -0.859 34.9 177.3-100.7 124.9 12.7 44.9 58.0 32 59 A V E -c 96 0A 5 -2,-0.5 24,-1.0 22,-0.2 2,-0.4 -0.960 16.7-163.2-133.2 149.5 9.8 44.5 55.7 33 60 A G E -cd 97 56A 2 63,-2.4 65,-2.9 -2,-0.4 2,-0.4 -0.960 10.3-156.5-128.3 143.3 6.4 46.1 55.1 34 61 A V E -cd 98 57A 0 22,-2.8 24,-3.1 -2,-0.4 2,-0.4 -0.954 10.9-175.9-125.6 137.8 3.4 44.8 53.2 35 62 A V E -cd 99 58A 0 63,-2.1 65,-2.6 -2,-0.4 2,-0.5 -0.995 11.9-160.6-125.3 129.6 0.5 46.4 51.5 36 63 A Q E -c 100 0A 12 22,-2.7 24,-0.5 -2,-0.4 65,-0.2 -0.975 8.5-165.7-115.6 127.3 -2.2 44.2 50.0 37 64 A F S S+ 0 0 1 63,-3.5 2,-0.5 -2,-0.5 64,-0.1 0.454 71.9 62.8 -92.3 2.3 -4.4 45.7 47.4 38 65 A I S S- 0 0 53 62,-0.3 2,-1.0 22,-0.0 -1,-0.1 -0.977 74.1-136.2-132.9 134.3 -6.9 43.0 47.6 39 66 A K - 0 0 107 -2,-0.5 24,-0.2 22,-0.2 25,-0.1 -0.661 21.4-151.6 -87.4 96.2 -9.1 41.7 50.4 40 67 A G - 0 0 51 -2,-1.0 4,-0.1 1,-0.1 129,-0.0 -0.000 12.7-139.4 -56.0 158.1 -9.1 37.9 50.6 41 68 A T S S+ 0 0 132 2,-0.1 -1,-0.1 21,-0.0 3,-0.1 0.925 83.2 64.2 -81.9 -44.8 -12.2 36.3 52.0 42 69 A W S S- 0 0 134 1,-0.2 2,-0.1 -3,-0.0 -2,-0.0 0.025 100.1 -78.1 -72.7 170.1 -10.1 33.9 53.9 43 70 A P - 0 0 72 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 -0.438 45.7-118.0 -73.7 149.7 -7.7 34.1 56.6 44 71 A N > - 0 0 35 1,-0.2 4,-3.2 125,-0.1 3,-0.4 -0.710 28.1-178.6 -97.5 86.2 -4.3 35.3 55.7 45 72 A G H > S+ 0 0 0 -2,-1.0 4,-2.4 1,-0.3 5,-0.2 0.827 84.7 52.3 -47.3 -45.0 -1.6 32.7 56.5 46 73 A E H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.910 114.6 43.9 -61.6 -42.2 1.3 34.8 55.3 47 74 A R H > S+ 0 0 68 -3,-0.4 4,-3.7 2,-0.2 -2,-0.2 0.989 109.5 56.2 -61.8 -55.7 0.1 37.5 57.5 48 75 A N H < S+ 0 0 81 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 117.1 36.6 -42.5 -42.7 -0.6 35.0 60.4 49 76 A L H < S+ 0 0 6 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.826 124.7 34.6 -84.2 -39.2 3.1 33.9 60.2 50 77 A L H <>S+ 0 0 1 -4,-2.6 5,-2.1 -5,-0.2 3,-0.3 0.740 101.6 69.8 -92.7 -31.4 4.9 37.1 59.4 51 78 A E T ><5S+ 0 0 91 -4,-3.7 3,-1.7 -5,-0.4 -3,-0.1 0.930 98.7 53.3 -53.3 -42.8 3.0 39.8 61.3 52 79 A P T 3 5S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.827 101.9 61.1 -62.4 -31.6 4.2 38.4 64.6 53 80 A H T 3 5S- 0 0 82 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.448 132.6 -82.7 -77.2 4.3 7.7 38.6 63.4 54 81 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.7 1,-0.3 -22,-0.2 0.645 83.1 141.3 111.9 4.3 7.6 42.2 63.0 55 82 A V < - 0 0 4 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.3 -0.770 41.8-143.1 -95.0 119.1 6.1 42.5 59.6 56 83 A E E -d 33 0A 71 -24,-1.0 -22,-2.8 -2,-0.7 2,-0.5 -0.516 16.7-165.6 -75.5 137.1 3.6 45.3 59.1 57 84 A F E -d 34 0A 2 -2,-0.3 2,-0.6 -24,-0.2 -22,-0.2 -0.963 12.3-175.1-129.1 126.4 0.6 44.6 57.0 58 85 A Q E -d 35 0A 54 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.2 -0.972 16.9-169.0-120.3 119.6 -1.8 47.1 55.6 59 86 A V - 0 0 38 -2,-0.6 2,-0.2 -24,-0.2 -22,-0.1 -0.620 26.8 -95.6-107.3 163.6 -4.7 45.6 53.8 60 87 A M - 0 0 5 -24,-0.5 18,-0.1 -2,-0.2 4,-0.1 -0.545 50.3 -99.4 -75.1 142.1 -7.5 47.0 51.5 61 88 A A > - 0 0 62 16,-0.3 3,-0.5 -2,-0.2 -22,-0.2 -0.191 47.2 -97.8 -58.3 153.1 -10.7 47.8 53.2 62 89 A T T 3 S+ 0 0 98 1,-0.2 -1,-0.1 -3,-0.1 -22,-0.0 -0.302 97.6 40.6 -68.9 160.4 -13.4 45.1 52.8 63 90 A G T 3 + 0 0 58 1,-0.2 2,-0.3 -24,-0.2 -1,-0.2 0.611 63.3 173.1 77.6 21.8 -16.2 45.2 50.2 64 91 A F < - 0 0 30 -3,-0.5 -1,-0.2 1,-0.1 -25,-0.0 -0.465 16.7-159.6 -62.6 122.6 -14.3 46.5 47.1 65 92 A T - 0 0 44 -2,-0.3 -1,-0.1 5,-0.2 3,-0.1 0.837 11.7-148.2 -73.5 -41.9 -16.8 46.3 44.3 66 93 A W + 0 0 106 1,-0.3 2,-0.4 4,-0.1 5,-0.1 0.701 56.2 140.4 74.6 18.8 -14.7 46.3 41.1 67 94 A E - 0 0 87 1,-0.1 -1,-0.3 3,-0.1 7,-0.2 -0.846 61.4-135.2-109.9 139.5 -17.7 48.1 39.7 68 95 A T S > S+ 0 0 118 -2,-0.4 3,-1.5 1,-0.2 4,-0.1 0.872 104.9 44.2 -46.2 -56.1 -17.9 51.0 37.3 69 96 A Q T > S+ 0 0 153 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.894 114.6 51.0 -58.3 -40.9 -20.5 53.0 39.2 70 97 A N T 3> S+ 0 0 52 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.218 73.6 113.9 -79.6 6.9 -18.8 52.4 42.4 71 98 A R H <> S+ 0 0 80 -3,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.753 71.3 57.6 -55.1 -26.5 -15.6 53.5 41.1 72 99 A E H <> S+ 0 0 170 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.972 113.2 36.4 -70.1 -51.3 -15.6 56.5 43.5 73 100 A A H >> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.992 116.1 54.8 -56.3 -61.9 -15.9 54.5 46.7 74 101 A D H 3X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.731 110.3 49.1 -41.3 -32.9 -13.8 51.8 45.3 75 102 A T H 3X S+ 0 0 41 -4,-1.1 4,-4.0 -5,-0.3 -1,-0.3 0.851 103.4 54.6 -81.2 -43.4 -11.1 54.5 44.6 76 103 A A H X S+ 0 0 4 -4,-1.7 3,-1.5 -5,-0.2 4,-1.4 0.971 105.2 65.2 -70.9 -44.8 -4.4 51.9 51.2 82 109 A W H 3X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.648 92.5 66.4 -48.1 -17.9 -1.9 53.6 48.8 83 110 A Q H 3> S+ 0 0 80 -3,-0.5 4,-2.7 -4,-0.4 -1,-0.3 0.949 99.2 45.7 -71.2 -50.6 -1.1 56.0 51.6 84 111 A H H < S+ 0 0 108 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.932 109.4 48.3 -57.9 -51.1 4.6 55.8 53.8 88 115 A M H >< S+ 0 0 2 -4,-3.3 3,-1.1 1,-0.3 -1,-0.2 0.864 106.3 57.2 -64.9 -32.2 6.5 52.5 53.5 89 116 A L T 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.530 111.2 45.5 -76.8 -2.0 8.3 53.7 50.3 90 117 A A T < S+ 0 0 67 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.363 87.4 106.7-116.9 -1.3 9.6 56.6 52.3 91 118 A D X - 0 0 54 -3,-1.1 3,-0.9 -4,-0.3 -3,-0.0 -0.789 51.4-164.0 -90.2 120.0 10.6 54.6 55.4 92 119 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.486 86.3 58.2 -81.6 -9.4 14.3 54.3 55.6 93 120 A L T 3 S+ 0 0 118 34,-0.0 2,-0.7 3,-0.0 -62,-0.2 0.455 85.7 95.5 -99.1 -4.3 14.4 51.6 58.0 94 121 A L < - 0 0 18 -3,-0.9 -62,-0.2 -6,-0.2 3,-0.1 -0.795 50.1-175.9 -90.6 116.1 12.3 49.4 55.7 95 122 A D S S+ 0 0 42 -64,-1.7 33,-2.4 -2,-0.7 2,-0.3 0.735 71.6 20.4 -81.2 -25.4 14.5 47.1 53.7 96 123 A M E -ce 32 128A 4 -65,-1.8 -63,-2.4 31,-0.2 2,-0.4 -0.990 58.0-166.5-151.3 143.0 11.7 45.8 51.7 97 124 A V E -ce 33 129A 0 31,-2.6 33,-2.1 -2,-0.3 2,-0.5 -0.962 10.9-154.4-123.1 135.1 8.2 46.6 50.7 98 125 A V E -ce 34 130A 0 -65,-2.9 -63,-2.1 -2,-0.4 2,-0.7 -0.940 4.5-167.8-109.3 129.2 5.7 44.2 49.2 99 126 A L E > -ce 35 131A 0 31,-3.0 33,-1.5 -2,-0.5 3,-1.1 -0.736 17.6-155.3-116.7 84.3 3.0 45.8 47.1 100 127 A D E 3 -c 36 0A 4 -65,-2.6 -63,-3.5 -2,-0.7 -62,-0.3 -0.497 65.5 -12.5 -72.7 116.9 0.6 43.0 46.6 101 128 A E T > S+ 0 0 39 -2,-0.5 3,-0.6 31,-0.5 4,-0.5 0.733 77.3 145.5 67.6 36.1 -1.6 43.2 43.5 102 129 A L T X> + 0 0 0 -3,-1.1 4,-2.1 30,-0.7 3,-2.0 0.850 54.3 81.5 -60.9 -39.8 -1.0 46.7 42.6 103 130 A T H 3> S+ 0 0 1 29,-1.0 4,-2.6 1,-0.3 -1,-0.2 0.803 92.5 45.5 -37.4 -51.9 -1.2 45.9 39.0 104 131 A Y H <> S+ 0 0 45 -3,-0.6 4,-1.5 1,-0.2 6,-0.4 0.738 106.9 60.5 -72.6 -18.7 -4.9 46.0 38.9 105 132 A M H <4>S+ 0 0 0 -3,-2.0 6,-2.0 -4,-0.5 5,-1.0 0.945 112.4 36.1 -72.3 -41.1 -4.9 49.1 40.8 106 133 A V H ><5S+ 0 0 7 -4,-2.1 3,-2.0 4,-0.2 7,-0.2 0.977 114.5 58.7 -69.8 -46.8 -3.0 50.9 38.2 107 134 A A H 3<5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.699 108.5 42.8 -53.1 -35.4 -4.7 49.0 35.3 108 135 A Y T 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.239 113.8-110.0-103.0 13.5 -8.2 50.1 36.2 109 136 A D T < 5S+ 0 0 127 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.521 85.8 120.3 74.4 9.6 -7.4 53.7 37.0 110 137 A Y S > - 0 0 46 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.186 15.0-136.9 -54.6 123.1 -2.6 56.9 39.3 113 140 A L H 3> S+ 0 0 30 1,-0.3 4,-2.4 -7,-0.2 5,-0.1 0.774 103.5 56.0 -45.5 -40.0 0.5 55.6 37.5 114 141 A E H 3> S+ 0 0 133 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.840 102.5 56.9 -65.2 -36.4 2.5 58.6 38.2 115 142 A E H <> S+ 0 0 63 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.960 110.5 42.3 -58.4 -58.4 1.9 58.2 42.0 116 143 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.955 116.1 51.3 -55.4 -48.4 3.3 54.8 42.0 117 144 A I H X S+ 0 0 27 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.947 111.3 42.4 -54.4 -58.1 6.0 55.9 39.8 118 145 A S H X S+ 0 0 63 -4,-3.6 4,-2.7 1,-0.3 -1,-0.2 0.931 113.5 54.5 -57.4 -44.0 7.2 58.8 41.7 119 146 A A H < S+ 0 0 19 -4,-2.8 -1,-0.3 -5,-0.3 4,-0.3 0.825 110.5 47.6 -57.8 -37.2 6.8 56.9 44.9 120 147 A L H >< S+ 0 0 1 -4,-2.6 3,-1.6 -3,-0.2 -1,-0.2 0.957 112.6 46.9 -68.9 -53.5 9.1 54.2 43.5 121 148 A N H 3< S+ 0 0 101 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.823 110.0 52.3 -55.7 -41.3 11.7 56.5 42.2 122 149 A A T 3< S+ 0 0 86 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.501 87.7 119.4 -80.1 -1.8 11.9 58.6 45.3 123 150 A R S < S- 0 0 32 -3,-1.6 -33,-0.2 -4,-0.3 -34,-0.1 -0.191 78.4 -72.3 -67.1 155.3 12.4 55.4 47.6 124 151 A P > - 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0 0 49 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.414 13.4-147.5 -69.8 124.9 17.2 8.3 39.7 304 340 B L H > S+ 0 0 38 -2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.780 92.7 60.5 -61.1 -42.5 13.9 9.4 38.4 305 341 B E H > S+ 0 0 136 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.928 104.4 55.2 -58.2 -35.1 11.8 6.3 38.9 306 342 B E H > S+ 0 0 50 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.966 111.2 41.0 -54.7 -66.0 12.5 6.8 42.6 307 343 B V H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.3 5,-0.3 0.926 116.1 51.5 -51.2 -48.9 11.2 10.3 42.6 308 344 B I H X S+ 0 0 34 -4,-3.4 4,-0.8 1,-0.2 -1,-0.3 0.902 113.7 44.8 -57.5 -40.7 8.4 9.3 40.4 309 345 B S H >X S+ 0 0 59 -4,-3.7 4,-1.7 -5,-0.3 3,-1.1 0.980 111.4 50.1 -66.8 -53.5 7.5 6.4 42.7 310 346 B A H >X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.3 3,-0.8 0.917 110.5 50.9 -49.8 -48.8 7.8 8.3 46.0 311 347 B L H 3< S+ 0 0 2 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.782 109.0 54.4 -59.3 -28.5 5.6 10.9 44.6 312 348 B N H << S+ 0 0 104 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.3 0.765 112.5 40.2 -76.5 -28.6 3.3 8.1 43.7 313 349 B A H << S+ 0 0 87 -4,-1.7 -2,-0.2 -3,-0.8 -3,-0.2 0.855 86.4 117.7 -88.6 -41.7 3.1 6.7 47.2 314 350 B R S < S- 0 0 38 -4,-2.4 -33,-0.2 -5,-0.2 -34,-0.1 0.341 79.4 -70.4 -27.4 149.8 2.9 9.9 49.3 315 351 B P > - 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0 0 12 -3,-0.2 -1,-0.2 1,-0.1 5,-0.1 -0.719 28.7 -99.8 -92.0 127.9 12.6 19.7 35.1 328 364 B H > - 0 0 75 -2,-0.4 4,-3.3 1,-0.2 3,-0.4 -0.124 25.1-132.6 -49.6 129.6 12.1 16.2 33.7 329 365 B R H > S+ 0 0 159 2,-0.2 4,-4.8 1,-0.2 5,-0.2 0.842 107.3 60.3 -52.0 -44.8 9.1 16.0 31.6 330 366 B D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 111.5 40.3 -49.8 -48.8 8.0 12.9 33.4 331 367 B I H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.916 115.1 51.8 -62.8 -48.7 7.9 15.0 36.6 332 368 B L H < S+ 0 0 26 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.1 49.7 -54.7 -41.4 6.4 17.8 34.7 333 369 B D H < S+ 0 0 92 -4,-4.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 112.3 44.5 -66.0 -41.0 3.9 15.3 33.4 334 370 B L H < S+ 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.885 94.8 101.6 -70.1 -36.7 3.0 13.9 36.9 335 371 B A < - 0 0 1 -4,-2.8 -139,-0.2 -5,-0.1 3,-0.1 -0.089 62.7-150.6 -52.1 141.7 2.9 17.5 38.3 336 372 B D S S+ 0 0 29 -141,-1.4 2,-0.4 1,-0.3 -181,-0.2 0.813 81.3 21.9 -84.8 -42.3 -0.6 19.1 38.9 337 373 B T E - h 0 196A 0 -142,-2.1 -140,-2.7 -182,-0.3 2,-0.4 -0.988 69.2-175.3-130.4 138.7 0.3 22.8 38.5 338 374 B V E -Fh 154 197A 3 -184,-2.1 -184,-2.5 -2,-0.4 -185,-0.5 -0.998 5.2-178.7-141.1 133.1 3.3 24.1 36.6 339 375 B S E -Fh 152 198A 0 -142,-1.9 -140,-2.8 -2,-0.4 2,-0.6 -0.997 13.1-153.5-136.1 130.9 4.5 27.5 36.2 340 376 B E E -Fh 151 199A 68 -189,-1.9 -189,-3.3 -2,-0.4 2,-1.0 -0.937 14.9-137.8-114.2 116.9 7.5 28.5 34.3 341 377 B L E -F 150 0A 1 -142,-3.4 -139,-3.7 -2,-0.6 -140,-0.4 -0.699 17.0-159.3 -80.5 105.2 9.3 31.6 35.3 342 378 B R E -F 149 0A 119 -193,-2.9 -193,-2.8 -2,-1.0 2,-1.8 -0.758 16.8-129.9 -90.8 122.6 10.2 33.6 32.3 343 379 B P E +F 148 0A 58 0, 0.0 -195,-0.2 0, 0.0 3,-0.1 -0.498 37.0 163.8 -75.9 85.1 13.0 36.1 32.9 344 380 B V E S- 0 0 55 -2,-1.8 2,-0.3 -197,-1.2 -196,-0.2 0.961 74.3 -6.4 -63.5 -45.4 11.6 39.1 31.5 345 381 B K E -F 147 0A 63 -198,-1.8 -198,-2.3 -3,-0.2 -1,-0.3 -0.945 61.3-167.1-146.4 159.6 14.2 41.1 33.2 346 382 B H >> - 0 0 46 -2,-0.3 3,-1.6 -200,-0.3 4,-0.8 -0.778 21.8-143.1-158.3 112.8 16.9 40.5 35.8 347 383 B A T 34>S+ 0 0 4 1,-0.3 5,-3.2 -2,-0.2 3,-0.4 0.727 99.2 65.8 -41.8 -32.2 19.0 43.0 37.8 348 384 B F T >45S+ 0 0 133 1,-0.3 3,-2.8 3,-0.2 -1,-0.3 0.944 95.6 52.4 -59.5 -51.8 22.0 40.8 37.4 349 385 B D T <45S+ 0 0 132 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.729 107.2 57.9 -54.3 -25.4 22.3 41.2 33.7 350 386 B A T 3<5S- 0 0 78 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.193 130.5 -97.8 -94.2 17.2 22.2 44.8 34.5 351 387 B G T < 5S+ 0 0 66 -3,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.463 75.3 145.2 82.6 2.6 25.2 44.5 36.7 352 388 B V < - 0 0 24 -5,-3.2 -1,-0.3 -6,-0.2 2,-0.1 -0.597 41.4-137.8 -77.4 135.3 23.4 44.2 40.0 353 389 B K - 0 0 173 -2,-0.4 2,-0.1 1,-0.1 6,-0.1 -0.396 28.6 -84.2 -86.9 162.2 25.1 41.9 42.4 354 390 B A - 0 0 42 -2,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.380 51.1-161.7 -64.1 141.1 23.5 39.3 44.6 355 391 B Q >>> - 0 0 49 -2,-0.1 4,-3.0 -3,-0.1 5,-1.7 -0.952 22.1 -95.5-140.3 155.3 22.1 40.4 47.9 356 392 B M T 345S+ 0 0 64 -2,-0.3 -328,-0.0 1,-0.2 -331,-0.0 -0.506 108.3 8.8 -67.8 115.5 20.9 39.3 51.4 357 393 B G T 345S+ 0 0 1 3,-3.6 -332,-0.5 -2,-0.4 -1,-0.2 -0.085 133.5 53.4 105.5 -23.5 17.1 38.8 51.8 358 394 B I T <45S+ 0 0 7 -3,-0.8 -2,-0.2 2,-0.2 -334,-0.1 0.834 122.6 15.2 -96.9 -69.1 16.7 39.1 48.0 359 395 B D T <5 0 0 44 -4,-3.0 -3,-0.2 1,-0.2 -5,-0.1 0.827 360.0 360.0 -87.3 -40.2 19.0 36.7 46.3 360 396 B Y < 0 0 56 -5,-1.7 -3,-3.6 -128,-0.0 -1,-0.2 -0.883 360.0 360.0-147.2 360.0 19.9 34.6 49.3