==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JUN-01 1JG8 . COMPND 2 MOLECULE: L-ALLO-THREONINE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR C.L.KIELKOPF,J.BONANNO,S.RAY,S.K.BURLEY,NEW YORK SGX . 1370 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1020 74.5 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 . 74 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 494 36.1 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 6 4 7 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 5 A M 0 0 135 0, 0.0 2,-0.9 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 174.5 13.2 42.0 27.7 2 6 A I E -a 305 0A 10 302,-2.6 304,-3.1 325,-0.1 2,-0.9 -0.851 360.0-157.5 -97.1 106.2 13.0 44.7 30.4 3 7 A D E +a 306 0A 26 -2,-0.9 3,-0.2 319,-0.3 304,-0.1 -0.750 32.3 154.9 -94.6 102.2 16.5 46.1 30.5 4 8 A L + 0 0 0 302,-2.7 314,-2.5 -2,-0.9 304,-0.3 0.090 46.3 104.2-107.5 19.2 17.4 47.9 33.7 5 9 A R S S- 0 0 17 1,-0.2 2,-0.3 302,-0.2 303,-0.2 0.900 92.8 -36.6 -68.6 -41.9 21.1 47.3 33.4 6 10 A S > - 0 0 5 312,-0.3 3,-0.7 -3,-0.2 -1,-0.2 -0.970 48.6-107.0-172.5 165.9 22.1 50.8 32.4 7 11 A D G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.2 195,-0.3 0.435 104.5 83.6 -85.1 0.9 21.0 53.8 30.4 8 12 A T G 3 S+ 0 0 3 1,-0.2 -1,-0.2 192,-0.0 1255,-0.2 0.771 78.0 67.6 -71.8 -25.0 23.6 52.9 27.8 9 13 A V G < + 0 0 14 -3,-0.7 -1,-0.2 1049,-0.1 -2,-0.1 0.420 69.5 129.6 -76.7 0.3 21.2 50.4 26.2 10 14 A T < - 0 0 0 -3,-1.0 1253,-0.2 188,-0.2 191,-0.1 -0.295 49.1-144.0 -55.8 139.5 18.9 53.2 24.9 11 15 A K - 0 0 95 1,-0.1 -1,-0.1 1045,-0.0 -2,-0.0 -0.707 26.9 -83.3-106.5 158.6 18.0 52.8 21.3 12 16 A P - 0 0 9 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.261 42.7-123.0 -59.8 144.5 17.5 55.5 18.6 13 17 A T > - 0 0 26 189,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.320 28.9-104.8 -79.0 167.6 14.1 57.1 18.4 14 18 A E H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.895 123.9 55.8 -62.1 -36.4 12.2 57.1 15.1 15 19 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.0 48.6 -61.5 -42.3 13.1 60.8 14.7 16 20 A M H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 107.8 53.4 -63.7 -44.6 16.8 59.9 15.0 17 21 A R H X S+ 0 0 38 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.897 110.7 47.5 -60.1 -38.9 16.6 57.0 12.6 18 22 A K H X S+ 0 0 118 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.932 111.5 49.7 -67.6 -45.1 15.1 59.3 9.9 19 23 A A H < S+ 0 0 20 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.841 108.6 53.3 -62.8 -35.2 17.7 62.0 10.5 20 24 A M H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.921 106.0 54.5 -66.4 -39.9 20.6 59.5 10.2 21 25 A A H 3< S+ 0 0 27 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 119.7 30.6 -62.1 -35.6 19.2 58.4 6.9 22 26 A Q T 3< S+ 0 0 148 -4,-1.4 -1,-0.2 213,-0.1 -2,-0.2 0.181 86.4 142.2-110.0 15.8 19.2 61.9 5.4 23 27 A A < - 0 0 5 -3,-1.0 2,-0.5 -4,-0.3 212,-0.1 -0.315 51.5-128.8 -60.0 135.0 22.1 63.3 7.3 24 28 A E - 0 0 124 210,-0.1 11,-0.8 211,-0.0 2,-0.2 -0.764 38.5-174.6 -85.1 129.1 24.3 65.6 5.3 25 29 A V + 0 0 3 -2,-0.5 2,-0.3 9,-0.1 207,-0.1 -0.723 21.4 164.2-124.7 173.7 27.9 64.4 5.6 26 30 A G - 0 0 9 -2,-0.2 2,-0.9 205,-0.2 208,-0.3 -0.939 54.5 -65.4-169.7 175.7 31.5 65.2 4.7 27 31 A D > > - 0 0 3 -2,-0.3 5,-2.3 5,-0.2 3,-1.4 -0.683 38.4-163.5 -83.1 110.1 35.0 64.2 5.8 28 32 A D G > 5S+ 0 0 4 203,-2.2 3,-1.5 -2,-0.9 203,-0.2 0.756 85.7 70.2 -63.0 -25.6 35.4 65.4 9.4 29 33 A V G 3 5S+ 0 0 26 201,-0.4 -1,-0.3 1,-0.3 439,-0.1 0.851 105.9 40.7 -60.4 -31.2 39.2 65.0 9.2 30 34 A Y G < 5S- 0 0 78 -3,-1.4 -1,-0.3 201,-0.1 -2,-0.2 0.357 119.6-113.7 -94.4 3.7 39.0 68.1 6.8 31 35 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.735 83.3 124.7 68.8 23.5 36.4 69.7 9.1 32 36 A E < + 0 0 81 -5,-2.3 -4,-0.2 4,-0.0 -5,-0.2 0.261 26.6 106.8-100.8 11.0 34.0 69.3 6.2 33 37 A D > - 0 0 0 -7,-0.3 4,-2.2 -6,-0.2 5,-0.1 -0.814 52.2-162.4 -91.8 112.7 31.1 67.3 7.8 34 38 A P H > S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.777 86.0 50.3 -63.5 -30.6 28.2 69.9 8.2 35 39 A T H > S+ 0 0 20 -11,-0.8 4,-2.5 2,-0.2 5,-0.2 0.887 110.7 47.5 -79.0 -38.5 26.3 67.9 10.7 36 40 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 111.9 53.1 -63.8 -42.8 29.2 67.3 13.0 37 41 A N H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.911 110.7 45.6 -59.2 -41.7 30.0 71.0 12.7 38 42 A E H X S+ 0 0 70 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.890 110.6 53.6 -69.4 -39.8 26.5 71.9 13.7 39 43 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.932 111.5 45.7 -60.3 -44.4 26.4 69.4 16.6 40 44 A E H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.907 112.5 50.7 -67.2 -37.5 29.6 71.0 18.0 41 45 A R H X S+ 0 0 108 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.932 112.7 46.5 -64.0 -45.1 28.3 74.5 17.5 42 46 A L H X S+ 0 0 23 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.897 112.4 49.6 -63.3 -43.1 25.1 73.6 19.4 43 47 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 6,-0.2 0.924 111.4 48.7 -63.4 -44.5 27.0 71.9 22.2 44 48 A A H X>S+ 0 0 8 -4,-2.5 5,-2.4 2,-0.2 4,-0.5 0.963 114.6 46.1 -59.0 -50.5 29.3 74.8 22.6 45 49 A E H ><5S+ 0 0 119 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.930 110.4 53.5 -56.8 -49.3 26.3 77.2 22.7 46 50 A T H 3<5S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 138,-0.2 0.824 116.2 37.6 -57.5 -36.4 24.4 75.0 25.1 47 51 A F H 3<5S- 0 0 3 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.319 110.5-117.5 -99.7 7.4 27.2 74.9 27.6 48 52 A G T <<5 + 0 0 40 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.825 69.3 133.6 61.9 34.0 28.3 78.5 27.1 49 53 A K < - 0 0 37 -5,-2.4 -1,-0.2 -6,-0.2 163,-0.1 -0.697 64.9-119.7-112.0 166.9 31.7 77.5 25.9 50 54 A E S S+ 0 0 84 161,-0.2 2,-0.3 -2,-0.2 162,-0.2 0.784 87.0 2.3 -75.2 -29.5 33.8 78.7 22.9 51 55 A A E -B 211 0B 20 160,-2.1 160,-2.1 -7,-0.1 2,-0.3 -0.961 56.9-154.8-154.2 170.0 34.2 75.3 21.2 52 56 A A E -B 210 0B 5 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.977 4.3-153.9-149.3 158.4 33.3 71.7 21.2 53 57 A L E -B 209 0B 0 156,-2.3 156,-2.2 -2,-0.3 2,-0.3 -0.980 15.1-138.5-140.5 123.5 34.6 68.3 19.9 54 58 A F E -B 208 0B 0 -2,-0.4 154,-0.2 154,-0.2 152,-0.1 -0.593 26.2-175.7 -79.8 138.3 32.5 65.2 19.1 55 59 A V E -B 207 0B 0 152,-2.5 152,-2.3 -2,-0.3 174,-0.1 -0.948 35.6-119.2-133.9 155.6 34.1 61.9 20.3 56 60 A P S S+ 0 0 1 0, 0.0 150,-0.9 0, 0.0 2,-0.3 0.655 93.1 9.0 -67.0 -18.2 33.2 58.2 19.9 57 61 A S > - 0 0 2 148,-0.2 4,-2.0 1204,-0.1 150,-0.2 -0.989 69.4-114.1-159.1 160.5 32.8 57.6 23.6 58 62 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.833 116.4 59.0 -66.6 -33.3 32.8 59.3 27.0 59 63 A T H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.949 107.2 45.0 -61.2 -47.9 36.0 57.5 27.8 60 64 A M H > S+ 0 0 0 1198,-0.3 4,-3.0 1,-0.2 5,-0.3 0.906 110.8 56.1 -64.0 -36.3 37.7 59.2 24.9 61 65 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.931 111.7 41.6 -59.2 -46.0 36.1 62.5 25.9 62 66 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 116.6 49.3 -67.0 -43.6 37.6 62.3 29.4 63 67 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.880 109.7 48.0 -68.3 -38.7 41.0 61.0 28.1 64 68 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.844 112.3 52.9 -69.4 -29.6 41.5 63.7 25.4 65 69 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 -67.9 -45.9 40.6 66.3 28.0 66 70 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.927 113.3 49.2 -61.2 -43.1 43.2 64.9 30.4 67 71 A M H < S+ 0 0 12 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.936 111.9 48.1 -61.2 -45.7 45.7 64.9 27.6 68 72 A A H < S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.732 116.5 44.1 -67.6 -22.1 44.8 68.5 26.6 69 73 A H H < S+ 0 0 13 -4,-1.6 2,-0.2 -3,-0.3 -1,-0.2 0.634 112.2 51.0 -95.6 -18.2 45.1 69.7 30.3 70 74 A T < - 0 0 8 -4,-1.6 2,-0.3 -3,-0.3 59,-0.0 -0.674 57.0-145.5-124.4 173.5 48.3 67.9 31.3 71 75 A Q > - 0 0 104 -2,-0.2 3,-2.1 57,-0.2 57,-0.1 -0.891 52.9 -73.2-128.5 157.1 51.9 67.2 30.7 72 76 A R T 3 S+ 0 0 41 -2,-0.3 26,-0.2 1,-0.2 25,-0.2 -0.224 119.8 24.7 -54.2 137.7 53.7 63.9 31.5 73 77 A G T 3 S+ 0 0 6 24,-2.7 -1,-0.2 1,-0.3 55,-0.2 0.228 91.2 131.3 93.5 -15.6 54.3 63.4 35.2 74 78 A D < - 0 0 14 -3,-2.1 25,-2.2 22,-0.2 2,-0.4 -0.157 52.1-128.3 -65.8 165.3 51.5 65.7 36.3 75 79 A E E -cd 99 129B 0 53,-2.7 55,-1.7 23,-0.2 56,-1.1 -0.921 11.3-152.5-119.5 144.3 49.0 64.6 38.9 76 80 A V E -cd 100 131B 0 23,-3.0 25,-2.4 -2,-0.4 2,-0.4 -0.963 9.6-145.2-119.5 116.3 45.2 64.7 38.5 77 81 A I E +cd 101 132B 0 54,-2.6 56,-2.9 -2,-0.5 2,-0.3 -0.663 34.8 156.3 -78.3 132.6 43.0 65.1 41.6 78 82 A L E -c 102 0B 0 23,-1.5 25,-1.9 -2,-0.4 2,-0.2 -0.974 47.9 -81.3-152.3 162.3 39.8 63.1 41.3 79 83 A E E > -c 103 0B 3 54,-0.5 3,-2.3 -2,-0.3 6,-0.3 -0.460 40.4-121.8 -70.8 136.7 37.2 61.5 43.5 80 84 A A T 3 S+ 0 0 25 23,-2.7 -1,-0.1 1,-0.3 30,-0.0 0.635 110.7 39.9 -53.7 -19.6 38.1 58.1 44.9 81 85 A D T 3 S+ 0 0 56 22,-0.3 59,-0.5 4,-0.0 -1,-0.3 -0.008 88.5 132.6-120.2 28.5 35.1 56.4 43.3 82 86 A S X> - 0 0 6 -3,-2.3 4,-2.7 1,-0.1 3,-0.6 -0.495 64.9-121.2 -85.1 151.9 35.0 58.2 40.0 83 87 A H H 3> S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.859 110.4 60.3 -56.2 -41.1 34.7 56.6 36.6 84 88 A I H 34 S+ 0 0 4 1,-0.2 4,-0.4 2,-0.2 8,-0.3 0.885 114.2 36.6 -58.0 -37.1 38.0 58.0 35.3 85 89 A F H <4 S+ 0 0 6 -3,-0.6 -2,-0.2 -6,-0.3 -1,-0.2 0.897 129.1 30.2 -82.3 -42.6 39.8 56.2 38.1 86 90 A W H < S+ 0 0 47 -4,-2.7 3,-0.2 1,-0.1 -3,-0.2 0.859 126.9 27.5 -87.6 -38.1 37.7 53.0 38.2 87 91 A Y S < S+ 0 0 50 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.1 0.189 93.4 83.9-118.8 20.4 36.4 52.2 34.7 88 92 A E S > S- 0 0 1 -5,-0.4 3,-2.7 -4,-0.4 4,-0.2 -0.101 95.5-111.1-115.9 36.9 38.7 53.7 32.1 89 93 A V T 3 - 0 0 3 722,-2.6 723,-0.2 1,-0.3 725,-0.1 0.646 65.4 -69.5 49.5 25.9 41.3 51.0 31.9 90 94 A G T >> S+ 0 0 2 -6,-0.3 4,-1.4 721,-0.3 3,-1.0 0.737 89.0 150.5 68.1 20.9 44.1 53.0 33.5 91 95 A A H <>> + 0 0 1 -3,-2.7 4,-3.0 1,-0.2 5,-0.6 0.838 58.4 64.5 -56.8 -37.0 44.1 55.1 30.4 92 96 A M H 3>>S+ 0 0 1 -8,-0.3 6,-1.6 1,-0.2 4,-1.2 0.870 105.8 44.9 -58.8 -34.8 45.3 58.3 32.2 93 97 A A H <45S+ 0 0 1 -3,-1.0 4,-0.3 4,-0.2 -1,-0.2 0.886 120.3 38.7 -75.3 -39.4 48.6 56.6 33.0 94 98 A V H <5S+ 0 0 5 -4,-1.4 -2,-0.2 689,-0.2 -3,-0.1 0.950 124.8 35.3 -75.9 -51.2 49.2 55.1 29.5 95 99 A L H <5S+ 0 0 1 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.879 136.3 17.1 -72.5 -41.9 47.9 58.0 27.4 96 100 A S T < S-H 109 0C 166 3,-2.3 3,-1.6 -2,-0.3 35,-0.0 -0.910 98.7 -27.5-104.7 105.5 30.5 61.9 50.0 107 111 A N T 3 S- 0 0 64 -2,-0.8 31,-0.2 1,-0.3 -1,-0.2 0.909 131.8 -41.0 52.9 49.1 28.4 60.8 47.0 108 112 A G T 3 S+ 0 0 1 1,-0.2 2,-0.9 -3,-0.1 27,-0.3 0.261 113.5 117.9 88.0 -11.7 30.8 62.4 44.6 109 113 A A E < -H 106 0C 21 -3,-1.6 -3,-2.3 36,-0.1 2,-0.3 -0.781 50.2-157.9 -95.4 103.9 31.4 65.5 46.6 110 114 A M E -H 105 0C 1 -2,-0.9 -5,-0.2 -5,-0.3 44,-0.1 -0.602 31.8-107.2 -76.8 136.1 35.0 65.9 47.7 111 115 A D >> - 0 0 78 -7,-0.6 4,-2.0 -2,-0.3 3,-1.3 -0.473 24.9-132.0 -62.8 125.2 35.4 68.1 50.7 112 116 A P H 3> S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.837 106.4 55.9 -48.8 -34.1 37.0 71.3 49.4 113 117 A D H 3> S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.827 105.6 49.5 -69.1 -32.9 39.5 71.2 52.2 114 118 A D H <> S+ 0 0 72 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.885 111.2 50.2 -73.2 -36.3 40.7 67.7 51.2 115 119 A V H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.943 110.4 48.3 -65.1 -48.5 41.1 68.8 47.6 116 120 A R H >< S+ 0 0 37 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.893 112.3 51.1 -58.9 -37.9 43.1 71.9 48.6 117 121 A K H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 103.1 58.1 -71.4 -26.9 45.3 69.6 50.8 118 122 A A H 3< S+ 0 0 6 -4,-1.5 2,-0.2 -3,-0.4 -1,-0.2 0.577 80.1 109.3 -79.5 -9.6 45.9 67.1 48.0 119 123 A I S << S- 0 0 22 -3,-0.8 9,-0.1 -4,-0.6 -3,-0.0 -0.527 75.9-119.4 -69.6 132.0 47.4 69.8 45.8 120 124 A R - 0 0 17 -2,-0.2 9,-0.3 -45,-0.1 -1,-0.1 -0.523 17.6-129.6 -78.7 134.0 51.1 69.2 45.5 121 125 A P - 0 0 86 0, 0.0 2,-0.8 0, 0.0 5,-0.1 -0.339 40.7 -90.5 -72.0 163.5 53.5 71.9 46.8 122 126 A R S S+ 0 0 217 6,-0.1 2,-0.3 3,-0.1 6,-0.1 -0.700 74.0 133.2 -80.6 114.5 56.3 72.9 44.4 123 127 A N > - 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0 0 4 312,-0.2 3,-0.6 -3,-0.1 -1,-0.2 -0.981 47.3-113.1-165.7 166.3 85.9 51.7 23.7 351 11 B D G > S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 195,-0.2 0.432 101.8 84.8 -88.3 0.9 87.2 54.7 25.6 352 12 B T G 3 S+ 0 0 1 1,-0.2 -1,-0.2 192,-0.1 566,-0.2 0.742 76.5 69.7 -71.3 -21.0 84.6 53.9 28.3 353 13 B V G < + 0 0 16 -3,-0.6 -1,-0.2 360,-0.1 -2,-0.1 0.474 68.1 128.0 -77.9 -0.5 87.1 51.5 29.8 354 14 B T < - 0 0 0 -3,-1.1 564,-0.2 188,-0.2 358,-0.1 -0.298 50.2-144.1 -57.3 137.7 89.4 54.2 31.0 355 15 B K - 0 0 87 1,-0.1 -1,-0.1 356,-0.0 -2,-0.0 -0.730 27.4 -83.6-104.9 155.8 90.3 53.9 34.7 356 16 B P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 191,-0.1 -0.194 41.2-124.3 -56.2 144.3 90.9 56.7 37.2 357 17 B T > - 0 0 26 189,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.355 29.9-104.5 -80.6 167.4 94.3 58.3 37.3 358 18 B E H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 124.3 56.2 -60.9 -37.5 96.1 58.4 40.7 359 19 B E H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 107.7 48.6 -59.6 -41.5 95.2 62.1 41.0 360 20 B M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 108.2 53.3 -65.9 -41.6 91.5 61.2 40.5 361 21 B R H X S+ 0 0 71 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.929 111.0 46.2 -61.5 -43.1 91.7 58.4 43.2 362 22 B K H X S+ 0 0 143 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.920 112.3 51.0 -64.1 -43.9 93.2 60.9 45.7 363 23 B A H < S+ 0 0 26 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.878 109.1 50.6 -62.2 -39.1 90.6 63.5 44.9 364 24 B M H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.892 110.1 50.0 -67.1 -37.4 87.7 61.1 45.3 365 25 B A H 3< S+ 0 0 27 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.3 38.8 -68.4 -34.6 89.0 60.0 48.7 366 26 B Q T 3< S+ 0 0 164 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.290 85.9 143.7 -98.0 8.6 89.3 63.6 49.9 367 27 B A < - 0 0 6 -3,-0.7 2,-0.6 -4,-0.3 212,-0.1 -0.207 49.0-135.3 -55.4 133.1 86.1 64.8 48.2 368 28 B E - 0 0 127 210,-0.2 11,-0.9 211,-0.0 2,-0.2 -0.820 39.5-177.8 -87.2 123.0 84.1 67.5 50.1 369 29 B V + 0 0 3 -2,-0.6 2,-0.3 9,-0.1 207,-0.1 -0.711 23.0 168.9-123.8 173.4 80.5 66.3 49.8 370 30 B G - 0 0 9 -2,-0.2 2,-0.9 205,-0.2 208,-0.4 -0.912 53.0 -66.5-163.5-178.4 76.9 67.1 50.7 371 31 B D > > - 0 0 3 -2,-0.3 5,-2.2 5,-0.2 3,-1.5 -0.755 38.6-162.3 -88.6 109.3 73.4 66.0 49.8 372 32 B D G > 5S+ 0 0 4 203,-2.1 3,-1.1 -2,-0.9 203,-0.2 0.711 85.5 69.4 -62.5 -21.9 72.9 66.8 46.2 373 33 B V G 3 5S+ 0 0 26 1,-0.3 -1,-0.3 201,-0.2 -249,-0.1 0.840 106.4 40.4 -65.3 -29.7 69.1 66.5 46.5 374 34 B Y G < 5S- 0 0 69 -3,-1.5 -1,-0.3 201,-0.1 -2,-0.2 0.339 120.2-113.3 -96.5 5.7 69.3 69.7 48.6 375 35 B G T < 5S+ 0 0 37 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.755 82.3 124.8 67.9 27.9 71.9 71.2 46.2 376 36 B E < + 0 0 85 -5,-2.2 -4,-0.2 4,-0.0 -5,-0.2 0.292 24.7 108.2-105.0 9.3 74.4 71.0 49.0 377 37 B D > - 0 0 0 -7,-0.3 4,-2.5 -6,-0.2 5,-0.2 -0.780 52.3-160.3 -88.8 112.0 77.3 69.0 47.6 378 38 B P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.810 87.7 49.5 -60.0 -33.9 80.1 71.6 47.0 379 39 B T H > S+ 0 0 20 -11,-0.9 4,-2.5 2,-0.2 5,-0.2 0.885 111.3 46.9 -77.1 -39.3 82.1 69.5 44.6 380 40 B I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.932 113.6 51.8 -64.1 -42.9 79.0 68.6 42.4 381 41 B N H X S+ 0 0 65 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.889 111.3 45.4 -61.6 -39.2 78.2 72.3 42.5 382 42 B E H X S+ 0 0 75 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.885 111.4 52.6 -72.1 -38.8 81.7 73.4 41.4 383 43 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 112.1 45.7 -61.6 -44.6 81.7 70.8 38.6 384 44 B E H X S+ 0 0 16 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.927 113.4 49.4 -65.1 -40.6 78.4 72.1 37.3 385 45 B R H X S+ 0 0 110 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.934 114.2 45.3 -61.4 -46.4 79.7 75.7 37.6 386 46 B L H X S+ 0 0 21 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.903 112.6 51.3 -63.2 -43.3 82.9 74.8 35.8 387 47 B A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.1 47.1 -60.9 -48.5 81.0 72.9 33.1 388 48 B A H <>S+ 0 0 7 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.941 114.2 47.3 -58.9 -48.1 78.6 75.7 32.5 389 49 B E H ><5S+ 0 0 118 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.927 110.2 52.3 -59.4 -47.4 81.4 78.3 32.3 390 50 B T H 3<5S+ 0 0 47 -4,-2.8 138,-0.4 1,-0.3 -1,-0.2 0.856 115.8 40.5 -59.7 -36.7 83.5 76.1 30.0 391 51 B F T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.375 112.6-117.6 -94.0 3.9 80.6 75.7 27.6 392 52 B G T < 5S+ 0 0 53 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.871 71.8 126.9 63.9 38.2 79.4 79.3 27.8 393 53 B K < - 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