==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JUL-02 1M6S . COMPND 2 MOLECULE: L-ALLO-THREONINE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.K.BURLEY,C.L.KIELKOPF . 1373 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1027 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 8.3 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 . 8 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 . 76 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 497 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.6 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 3 5 4 8 0 2 2 4 6 10 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 8 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 . 8 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 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 1 A M 0 0 137 0, 0.0 2,-0.9 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 169.3 13.2 42.0 27.7 2 2 A I E -a 305 0A 10 302,-2.6 304,-3.0 325,-0.1 2,-0.9 -0.847 360.0-156.7 -95.7 105.7 13.0 44.7 30.4 3 3 A D E +a 306 0A 25 -2,-0.9 3,-0.2 319,-0.3 304,-0.1 -0.743 32.6 154.6 -93.5 101.5 16.5 46.1 30.4 4 4 A L + 0 0 0 302,-2.6 314,-2.5 -2,-0.9 304,-0.3 0.101 46.0 103.7-107.4 18.7 17.4 47.9 33.7 5 5 A R S S- 0 0 17 1,-0.2 2,-0.3 302,-0.2 303,-0.2 0.895 93.0 -36.3 -68.5 -41.7 21.1 47.3 33.4 6 6 A S > - 0 0 6 312,-0.3 3,-0.7 -3,-0.2 -1,-0.2 -0.972 48.7-107.1-172.8 165.9 22.1 50.8 32.3 7 7 A D G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.2 195,-0.3 0.435 104.3 83.3 -85.4 1.7 21.0 53.8 30.4 8 8 A T G 3 S+ 0 0 2 1,-0.2 -1,-0.2 192,-0.1 1257,-0.2 0.763 78.0 67.9 -73.0 -24.4 23.6 52.9 27.8 9 9 A V G < + 0 0 13 -3,-0.7 -1,-0.2 1051,-0.1 -2,-0.1 0.430 69.6 129.5 -76.7 -0.0 21.2 50.4 26.2 10 10 A T < - 0 0 0 -3,-1.0 1255,-0.2 188,-0.2 191,-0.1 -0.279 49.2-143.9 -55.8 139.8 18.9 53.2 24.9 11 11 A K - 0 0 96 1,-0.1 -1,-0.1 1047,-0.0 -2,-0.0 -0.713 26.9 -82.9-106.6 159.4 18.0 52.8 21.3 12 12 A P - 0 0 9 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.258 42.8-123.5 -60.2 143.2 17.5 55.5 18.6 13 13 A T > - 0 0 26 189,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.338 28.9-104.7 -78.6 167.4 14.1 57.1 18.4 14 14 A E H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.885 124.1 55.8 -61.4 -36.7 12.2 57.1 15.1 15 15 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 107.9 48.7 -61.6 -41.9 13.1 60.8 14.7 16 16 A M H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 107.9 53.2 -64.2 -45.2 16.8 59.9 15.0 17 17 A R H X S+ 0 0 62 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.902 110.8 47.5 -59.1 -40.2 16.7 57.0 12.5 18 18 A K H X S+ 0 0 49 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.927 111.6 49.9 -66.9 -44.6 15.1 59.3 9.9 19 19 A A H < S+ 0 0 19 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.855 108.8 52.4 -63.1 -36.4 17.7 62.0 10.6 20 20 A M H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.909 106.2 54.9 -66.7 -38.9 20.6 59.5 10.2 21 21 A A H 3< S+ 0 0 27 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 119.5 30.8 -62.7 -35.4 19.2 58.4 6.9 22 22 A Q T 3< S+ 0 0 151 -4,-1.4 -1,-0.2 213,-0.1 -2,-0.2 0.183 86.6 142.5-110.3 16.0 19.2 61.9 5.4 23 23 A A < - 0 0 6 -3,-0.9 2,-0.5 -4,-0.3 212,-0.1 -0.316 51.5-128.6 -60.4 134.8 22.1 63.3 7.3 24 24 A E - 0 0 56 210,-0.2 11,-0.8 211,-0.0 2,-0.2 -0.759 38.8-174.3 -84.6 127.5 24.3 65.6 5.3 25 25 A V + 0 0 4 -2,-0.5 2,-0.3 9,-0.1 207,-0.1 -0.708 21.2 164.2-123.2 173.8 27.9 64.4 5.6 26 26 A G - 0 0 9 -2,-0.2 2,-0.9 205,-0.2 208,-0.4 -0.941 54.3 -65.4-169.7 175.2 31.5 65.2 4.7 27 27 A D > > - 0 0 3 -2,-0.3 5,-2.3 5,-0.2 3,-1.4 -0.677 38.8-163.8 -82.1 108.6 35.0 64.2 5.8 28 28 A D G > 5S+ 0 0 4 203,-2.2 3,-1.6 -2,-0.9 203,-0.2 0.761 85.5 69.7 -61.9 -26.7 35.4 65.4 9.4 29 29 A V G 3 5S+ 0 0 26 201,-0.4 -1,-0.3 1,-0.3 439,-0.1 0.844 106.0 41.0 -60.5 -30.3 39.2 65.0 9.2 30 30 A Y G < 5S- 0 0 78 -3,-1.4 -1,-0.3 201,-0.1 -2,-0.2 0.350 119.8-113.7 -95.4 3.9 39.0 68.1 6.8 31 31 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.748 83.0 125.2 68.6 24.5 36.4 69.7 9.1 32 32 A E < + 0 0 80 -5,-2.3 -4,-0.2 4,-0.0 -5,-0.2 0.253 26.1 107.0-101.6 11.5 34.0 69.3 6.2 33 33 A D > - 0 0 0 -7,-0.3 4,-2.3 -6,-0.2 5,-0.1 -0.820 52.1-162.1 -92.7 112.1 31.1 67.3 7.8 34 34 A P H > S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.791 86.6 50.0 -61.6 -33.1 28.2 69.9 8.2 35 35 A T H > S+ 0 0 21 -11,-0.8 4,-2.4 2,-0.2 5,-0.2 0.889 110.8 47.6 -77.4 -38.7 26.3 67.9 10.7 36 36 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.933 111.9 52.8 -64.4 -43.2 29.2 67.3 13.0 37 37 A N H X S+ 0 0 65 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.901 110.9 45.8 -59.0 -41.3 30.0 71.0 12.7 38 38 A E H X S+ 0 0 72 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.888 110.4 53.6 -69.9 -39.4 26.5 71.9 13.7 39 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.930 111.4 45.6 -60.8 -44.4 26.4 69.4 16.6 40 40 A E H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.897 112.5 50.9 -67.1 -37.2 29.6 71.0 18.0 41 41 A R H X S+ 0 0 110 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.934 112.7 46.4 -64.3 -45.2 28.3 74.5 17.5 42 42 A L H X S+ 0 0 23 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.898 112.4 49.9 -63.0 -43.1 25.1 73.6 19.4 43 43 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.926 111.4 48.3 -62.8 -45.7 27.0 71.9 22.2 44 44 A A H <>S+ 0 0 8 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.959 114.6 46.3 -58.4 -50.7 29.3 74.8 22.6 45 45 A E H ><5S+ 0 0 122 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.929 110.3 53.5 -56.9 -49.1 26.3 77.2 22.7 46 46 A T H 3<5S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 116.3 37.6 -57.7 -36.4 24.4 75.0 25.1 47 47 A F T 3<5S- 0 0 3 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.315 110.5-117.4-100.1 8.1 27.2 74.9 27.6 48 48 A G T < 5 + 0 0 40 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.827 69.1 134.8 61.6 33.9 28.3 78.5 27.1 49 49 A K < - 0 0 36 -5,-2.5 -1,-0.2 -6,-0.2 163,-0.1 -0.704 64.4-120.5-111.7 165.8 31.7 77.5 25.9 50 50 A E S S+ 0 0 90 -2,-0.2 2,-0.3 161,-0.2 162,-0.2 0.807 87.2 2.4 -73.2 -33.0 33.9 78.7 23.0 51 51 A A E -B 211 0B 20 160,-2.2 160,-2.1 -7,-0.1 2,-0.3 -0.953 57.2-154.4-151.6 169.8 34.2 75.3 21.2 52 52 A A E -B 210 0B 5 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.977 4.1-154.3-147.7 158.0 33.2 71.7 21.2 53 53 A L E -B 209 0B 0 156,-2.3 156,-2.2 -2,-0.3 2,-0.3 -0.979 14.8-138.5-140.3 123.1 34.6 68.3 20.0 54 54 A F E -B 208 0B 0 -2,-0.4 154,-0.2 154,-0.2 152,-0.1 -0.596 26.3-176.1 -79.5 138.2 32.6 65.2 19.1 55 55 A V E -B 207 0B 0 152,-2.5 152,-2.2 -2,-0.3 174,-0.1 -0.948 35.8-119.6-134.1 155.4 34.1 61.9 20.3 56 56 A P S S+ 0 0 1 0, 0.0 150,-0.9 0, 0.0 2,-0.3 0.667 93.1 9.0 -66.7 -19.5 33.2 58.2 19.9 57 57 A S > - 0 0 2 148,-0.1 4,-2.0 1206,-0.1 150,-0.2 -0.991 69.3-114.1-158.2 161.2 32.8 57.6 23.6 58 58 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 116.4 59.2 -66.4 -33.2 32.8 59.3 27.0 59 59 A T H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.948 107.0 45.0 -61.1 -48.2 36.0 57.5 27.8 60 60 A M H > S+ 0 0 0 1200,-0.3 4,-3.0 1,-0.2 5,-0.3 0.900 110.7 56.3 -63.8 -35.7 37.7 59.2 24.9 61 61 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.927 111.4 41.6 -59.7 -46.1 36.1 62.5 25.9 62 62 A N H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 116.7 49.3 -66.8 -44.6 37.6 62.3 29.4 63 63 A Q H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.874 109.6 47.9 -67.5 -38.8 41.0 61.1 28.1 64 64 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.840 112.4 52.9 -70.3 -28.8 41.5 63.7 25.4 65 65 A S H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.941 109.4 47.1 -68.0 -46.2 40.6 66.3 28.0 66 66 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.919 113.4 49.3 -61.0 -42.7 43.2 64.9 30.4 67 67 A M H < S+ 0 0 12 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.933 111.9 48.0 -61.7 -45.6 45.7 64.9 27.6 68 68 A A H < S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.732 116.4 44.4 -68.0 -22.6 44.8 68.5 26.6 69 69 A H H < S+ 0 0 13 -4,-1.6 -1,-0.2 -3,-0.2 2,-0.2 0.640 112.4 50.4 -95.3 -18.4 45.1 69.7 30.3 70 70 A T < - 0 0 8 -4,-1.6 2,-0.3 -3,-0.3 59,-0.0 -0.668 56.9-145.4-124.1 174.5 48.3 67.9 31.3 71 71 A Q > - 0 0 104 -2,-0.2 3,-2.1 57,-0.2 57,-0.1 -0.898 53.1 -72.5-129.5 156.8 51.9 67.2 30.7 72 72 A R T 3 S+ 0 0 41 -2,-0.3 26,-0.2 1,-0.2 25,-0.2 -0.209 119.9 24.3 -52.8 137.5 53.7 63.9 31.5 73 73 A G T 3 S+ 0 0 6 24,-2.7 -1,-0.2 1,-0.3 55,-0.2 0.225 91.0 131.4 92.9 -16.0 54.3 63.4 35.2 74 74 A D < - 0 0 13 -3,-2.1 25,-2.2 22,-0.2 2,-0.4 -0.136 51.9-128.3 -65.0 166.4 51.5 65.7 36.3 75 75 A E E -cd 99 129B 0 53,-2.7 55,-1.7 23,-0.2 56,-1.1 -0.932 11.2-152.2-120.6 143.6 49.0 64.6 38.9 76 76 A V E -cd 100 131B 0 23,-3.0 25,-2.5 -2,-0.4 2,-0.4 -0.962 9.5-145.2-119.0 116.3 45.2 64.7 38.5 77 77 A I E +cd 101 132B 0 54,-2.6 56,-2.9 -2,-0.5 2,-0.3 -0.657 34.9 156.0 -78.4 132.0 43.0 65.1 41.6 78 78 A L E -c 102 0B 0 23,-1.5 25,-2.0 -2,-0.4 2,-0.2 -0.975 48.1 -81.0-152.5 161.7 39.8 63.1 41.3 79 79 A E E > -c 103 0B 4 54,-0.5 3,-2.3 -2,-0.3 6,-0.3 -0.457 40.4-122.2 -69.6 135.8 37.1 61.5 43.5 80 80 A A T 3 S+ 0 0 25 23,-2.6 -1,-0.1 1,-0.3 30,-0.0 0.633 110.7 40.1 -52.3 -20.7 38.1 58.1 44.9 81 81 A D T 3 S+ 0 0 56 22,-0.3 59,-0.5 4,-0.0 -1,-0.3 -0.010 88.5 132.1-119.8 28.5 35.1 56.4 43.3 82 82 A S X> - 0 0 6 -3,-2.3 4,-2.7 1,-0.1 3,-0.7 -0.505 65.0-121.1 -85.1 152.0 35.0 58.2 40.0 83 83 A H H 3> S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.854 110.2 60.4 -56.2 -41.4 34.7 56.6 36.6 84 84 A I H 34 S+ 0 0 4 1,-0.2 4,-0.4 2,-0.2 8,-0.3 0.877 114.2 36.9 -57.7 -36.7 38.0 58.0 35.3 85 85 A F H <4 S+ 0 0 7 -3,-0.7 -2,-0.2 -6,-0.3 -1,-0.2 0.897 129.1 30.0 -82.6 -42.5 39.8 56.1 38.1 86 86 A W H < S+ 0 0 47 -4,-2.7 3,-0.2 1,-0.1 -3,-0.2 0.864 127.1 27.4 -87.8 -39.3 37.7 53.0 38.2 87 87 A Y S < S+ 0 0 43 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.1 0.187 93.4 84.0-117.4 20.3 36.4 52.2 34.7 88 88 A E S > S- 0 0 1 -5,-0.4 3,-2.7 -4,-0.4 4,-0.2 -0.098 95.6-111.1-115.8 37.6 38.7 53.7 32.1 89 89 A V T 3 - 0 0 3 724,-2.5 725,-0.1 1,-0.3 727,-0.1 0.646 65.1 -70.1 48.5 26.5 41.3 51.0 31.9 90 90 A G T >> S+ 0 0 2 -6,-0.3 4,-1.4 723,-0.2 3,-1.0 0.740 88.7 150.6 66.8 21.2 44.1 53.0 33.5 91 91 A A H <>> + 0 0 1 -3,-2.7 4,-3.0 1,-0.2 5,-0.6 0.828 58.5 64.8 -55.5 -37.4 44.1 55.1 30.3 92 92 A M H 3>>S+ 0 0 1 -8,-0.3 6,-1.6 1,-0.2 4,-1.1 0.867 105.4 44.9 -58.6 -35.0 45.3 58.3 32.1 93 93 A A H <45S+ 0 0 1 -3,-1.0 4,-0.3 4,-0.2 -1,-0.2 0.885 120.3 38.9 -75.1 -40.0 48.6 56.6 33.0 94 94 A V H <5S+ 0 0 5 -4,-1.4 -2,-0.2 691,-0.2 -3,-0.1 0.950 124.8 34.9 -75.2 -51.5 49.2 55.1 29.5 95 95 A L H <5S+ 0 0 1 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.879 136.5 17.5 -73.0 -42.3 47.9 58.0 27.4 96 96 A S T < S-H 109 0C 73 3,-2.4 3,-1.5 -2,-0.3 35,-0.0 -0.892 98.7 -28.1-102.2 104.0 30.5 61.9 50.0 107 107 A N T 3 S- 0 0 72 -2,-0.8 31,-0.3 1,-0.3 -1,-0.2 0.916 131.8 -40.3 54.4 49.2 28.4 60.8 47.0 108 108 A G T 3 S+ 0 0 1 1,-0.2 2,-0.9 -3,-0.2 27,-0.3 0.249 113.9 117.4 88.2 -13.1 30.8 62.4 44.6 109 109 A A E < -H 106 0C 21 -3,-1.5 -3,-2.4 36,-0.1 2,-0.3 -0.780 50.3-158.2 -95.1 104.4 31.4 65.5 46.6 110 110 A M E -H 105 0C 1 -2,-0.9 -5,-0.2 -5,-0.3 44,-0.1 -0.612 31.8-106.9 -77.7 135.8 35.0 65.9 47.7 111 111 A D >> - 0 0 77 -7,-0.6 4,-2.0 -2,-0.3 3,-1.2 -0.473 25.0-132.8 -62.3 124.3 35.5 68.1 50.7 112 112 A P H 3> S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.835 106.3 56.3 -49.1 -33.6 37.0 71.3 49.3 113 113 A D H 3> S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.841 105.4 49.3 -68.6 -34.3 39.5 71.2 52.2 114 114 A D H <> S+ 0 0 74 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.875 111.1 50.7 -72.2 -35.6 40.7 67.7 51.2 115 115 A V H >X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 3,-0.5 0.948 110.1 48.4 -65.2 -48.8 41.1 68.8 47.6 116 116 A R H >< S+ 0 0 37 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.883 112.3 50.7 -58.4 -38.3 43.1 71.9 48.6 117 117 A K H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 103.2 58.7 -72.1 -25.5 45.3 69.6 50.8 118 118 A A H << S+ 0 0 5 -4,-1.4 -1,-0.2 -3,-0.5 2,-0.2 0.597 80.2 108.7 -80.2 -11.2 45.9 67.1 47.9 119 119 A I S << S- 0 0 22 -3,-0.8 9,-0.1 -4,-0.7 -3,-0.0 -0.501 75.9-119.9 -68.6 131.2 47.4 69.8 45.8 120 120 A R - 0 0 18 -2,-0.2 9,-0.3 -45,-0.1 -1,-0.1 -0.530 17.8-130.3 -78.1 132.2 51.1 69.2 45.5 121 121 A P - 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0 0 5 312,-0.2 3,-0.6 -3,-0.1 -1,-0.2 -0.981 47.5-112.4-166.1 166.5 85.9 51.7 23.7 351 7 B D G > S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 195,-0.2 0.433 101.6 84.9 -87.8 1.3 87.2 54.7 25.6 352 8 B T G 3 S+ 0 0 1 1,-0.2 -1,-0.2 192,-0.1 568,-0.2 0.732 76.5 69.5 -72.1 -20.9 84.6 53.9 28.3 353 9 B V G < + 0 0 15 -3,-0.6 -1,-0.2 362,-0.1 -2,-0.1 0.470 68.4 127.9 -78.4 -0.9 87.1 51.5 29.8 354 10 B T < - 0 0 0 -3,-1.1 566,-0.2 188,-0.2 360,-0.1 -0.295 50.4-143.9 -57.0 137.5 89.4 54.2 31.0 355 11 B K - 0 0 95 1,-0.1 -1,-0.1 358,-0.0 -2,-0.0 -0.727 27.1 -83.1-105.1 156.5 90.3 53.9 34.7 356 12 B P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 191,-0.1 -0.191 41.4-125.2 -56.4 143.1 90.9 56.7 37.2 357 13 B T > - 0 0 26 189,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.366 29.9-104.4 -80.6 167.7 94.3 58.3 37.3 358 14 B E H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 124.3 56.1 -61.3 -37.2 96.1 58.4 40.7 359 15 B E H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 107.7 48.8 -59.9 -41.3 95.2 62.1 41.0 360 16 B M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 108.2 53.1 -65.9 -42.0 91.5 61.2 40.5 361 17 B R H X S+ 0 0 37 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.924 111.1 46.3 -61.1 -43.0 91.7 58.4 43.2 362 18 B K H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.922 112.3 51.0 -64.6 -44.2 93.1 60.9 45.7 363 19 B A H < S+ 0 0 27 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.877 108.9 50.7 -61.9 -39.7 90.6 63.5 44.9 364 20 B M H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.883 110.2 49.9 -66.8 -36.9 87.7 61.1 45.3 365 21 B A H 3< S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 118.1 38.9 -69.5 -33.4 89.0 60.0 48.7 366 22 B Q T 3< S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.316 86.1 143.6 -98.9 7.4 89.3 63.6 49.9 367 23 B A < - 0 0 6 -3,-0.6 2,-0.6 -4,-0.4 212,-0.1 -0.184 49.3-135.1 -54.0 131.8 86.1 64.8 48.2 368 24 B E - 0 0 128 210,-0.2 11,-0.9 211,-0.0 2,-0.2 -0.812 39.4-176.9 -86.8 121.9 84.1 67.5 50.1 369 25 B V + 0 0 3 -2,-0.6 2,-0.3 9,-0.1 207,-0.1 -0.690 23.0 168.6-122.5 173.6 80.5 66.3 49.8 370 26 B G - 0 0 9 -2,-0.2 2,-0.9 205,-0.2 208,-0.4 -0.918 52.9 -67.2-163.5-179.4 77.0 67.1 50.7 371 27 B D > > - 0 0 3 -2,-0.3 5,-2.2 5,-0.2 3,-1.5 -0.749 38.6-162.4 -87.6 108.5 73.4 66.0 49.8 372 28 B D G > 5S+ 0 0 4 203,-2.1 3,-1.0 -2,-0.9 203,-0.2 0.709 85.2 69.7 -62.4 -21.5 72.9 66.8 46.2 373 29 B V G 3 5S+ 0 0 25 1,-0.3 -1,-0.3 201,-0.2 -249,-0.1 0.833 106.4 40.2 -65.9 -29.0 69.1 66.5 46.5 374 30 B Y G < 5S- 0 0 70 -3,-1.5 -1,-0.3 201,-0.1 -2,-0.2 0.332 120.2-113.4 -97.2 5.2 69.3 69.7 48.6 375 31 B G T < 5S+ 0 0 37 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.773 82.1 125.0 67.7 28.9 71.9 71.1 46.2 376 32 B E < + 0 0 86 -5,-2.2 -4,-0.2 4,-0.0 -5,-0.2 0.294 24.5 108.7-105.6 9.2 74.4 71.0 49.0 377 33 B D > - 0 0 0 -7,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.784 52.3-160.1 -88.7 111.7 77.3 69.0 47.6 378 34 B P H > S+ 0 0 45 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.810 88.1 49.2 -58.8 -35.4 80.1 71.6 47.0 379 35 B T H > S+ 0 0 20 -11,-0.9 4,-2.4 2,-0.2 5,-0.2 0.880 111.3 47.1 -76.5 -39.3 82.0 69.4 44.6 380 36 B I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 113.5 51.9 -64.6 -42.7 79.0 68.6 42.4 381 37 B N H X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.885 111.1 45.2 -61.5 -39.8 78.2 72.3 42.5 382 38 B E H X S+ 0 0 75 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.883 111.3 53.3 -72.1 -38.0 81.7 73.4 41.4 383 39 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.937 112.0 45.2 -61.7 -45.1 81.7 70.8 38.7 384 40 B E H X S+ 0 0 16 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.917 113.6 49.6 -65.3 -40.7 78.4 72.1 37.3 385 41 B R H X S+ 0 0 110 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.936 114.2 45.3 -61.8 -46.1 79.6 75.7 37.6 386 42 B L H X S+ 0 0 21 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.896 112.5 51.3 -63.6 -42.6 82.9 74.8 35.8 387 43 B A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.935 111.2 47.0 -61.1 -48.2 81.0 72.9 33.1 388 44 B A H X>S+ 0 0 7 -4,-2.6 5,-2.8 2,-0.2 4,-0.5 0.942 114.2 47.5 -58.9 -49.2 78.6 75.7 32.5 389 45 B E H ><5S+ 0 0 118 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.926 110.1 52.2 -58.0 -48.9 81.4 78.3 32.3 390 46 B T H 3<5S+ 0 0 47 -4,-2.8 138,-0.3 1,-0.3 -1,-0.2 0.852 115.9 40.6 -58.5 -36.8 83.5 76.1 30.0 391 47 B F H 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.379 112.4-117.5 -94.4 3.8 80.6 75.7 27.6 392 48 B G T <<5S+ 0 0 53 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.869 71.9 127.1 64.1 38.0 79.4 79.3 27.8 393 49 B K < - 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