==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-AUG-02 1MF0 . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.V.IANCU,T.BORZA,H.J.FROMM,R.B.HONZATKO . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 1 0 1 0 2 2 1 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 1 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 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 27 A A 0 0 130 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.3 87.2 44.3 58.9 2 28 A A + 0 0 96 1,-0.1 3,-0.1 2,-0.1 0, 0.0 0.889 360.0 52.0 -75.0 -41.3 87.7 47.4 61.0 3 29 A T S S- 0 0 53 1,-0.2 2,-0.3 260,-0.0 -1,-0.1 0.969 110.8-133.7 -56.3 -56.4 86.2 49.6 58.3 4 30 A G - 0 0 18 214,-0.1 2,-0.4 259,-0.1 214,-0.2 -0.839 37.2 -31.6 130.6-169.0 83.1 47.4 58.1 5 31 A S - 0 0 21 212,-3.0 2,-0.2 -2,-0.3 214,-0.1 -0.706 66.8-124.0 -85.7 137.1 81.1 45.7 55.4 6 32 A R - 0 0 145 -2,-0.4 218,-0.5 259,-0.1 2,-0.3 -0.590 16.3-125.7 -87.5 146.6 81.0 47.7 52.2 7 33 A V E -ab 224 265A 0 257,-3.0 259,-3.2 -2,-0.2 2,-0.5 -0.620 12.3-137.7 -88.8 141.4 77.8 48.9 50.4 8 34 A T E -a 225 0A 40 216,-2.5 218,-3.1 -2,-0.3 2,-0.4 -0.869 23.1-156.5 -99.6 132.1 77.0 48.2 46.7 9 35 A V E -ab 226 268A 0 258,-3.5 260,-3.4 -2,-0.5 2,-0.5 -0.895 14.8-165.7-117.1 140.6 75.5 51.2 44.8 10 36 A V E +ab 227 269A 0 216,-2.4 218,-2.4 -2,-0.4 2,-0.3 -0.978 23.7 171.0-121.8 116.0 73.3 51.4 41.7 11 37 A L E - b 0 270A 1 258,-2.9 260,-3.1 -2,-0.5 2,-0.4 -0.839 34.0-108.2-126.8 163.9 73.1 54.8 40.1 12 38 A G E - b 0 271A 1 237,-0.3 220,-2.4 217,-0.3 260,-0.1 -0.741 19.9-170.8 -93.1 132.5 71.8 56.5 37.0 13 39 A A S S+ 0 0 0 258,-1.9 311,-0.2 -2,-0.4 259,-0.1 0.579 72.8 25.8 -97.6 -11.4 74.3 57.7 34.4 14 40 A Q S S- 0 0 2 257,-0.4 219,-2.1 216,-0.2 220,-0.2 0.323 120.3 -45.1-117.8-116.9 72.0 59.7 32.1 15 41 A W S S- 0 0 2 262,-0.5 264,-0.4 1,-0.5 216,-0.1 -0.296 91.7 -86.4-119.4 46.6 68.7 61.5 32.8 16 42 A G S S+ 0 0 3 214,-0.2 -1,-0.5 262,-0.1 261,-0.2 0.071 100.8 75.1 78.0 171.1 67.0 58.8 34.8 17 43 A D + 0 0 45 213,-0.1 214,-0.1 1,-0.1 -1,-0.1 0.824 53.3 138.3 52.1 39.2 64.9 55.8 33.8 18 44 A E S S- 0 0 0 212,-0.3 318,-0.2 253,-0.1 -1,-0.1 0.639 84.6 -86.3 -83.9 -15.9 68.0 53.9 32.8 19 45 A G S > S+ 0 0 23 252,-0.1 4,-2.4 254,-0.1 3,-0.2 0.654 77.0 147.0 116.1 27.7 66.7 50.8 34.4 20 46 A K H > S+ 0 0 4 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.896 73.6 56.2 -59.8 -42.5 67.8 51.1 38.0 21 47 A G H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 109.4 48.1 -58.2 -36.1 64.8 49.4 39.3 22 48 A K H > S+ 0 0 19 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.950 114.7 43.0 -69.9 -49.3 65.7 46.4 37.1 23 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.935 113.5 52.1 -64.3 -44.5 69.3 46.3 38.1 24 50 A V H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.911 108.1 51.9 -57.1 -45.0 68.5 46.8 41.8 25 51 A D H X S+ 0 0 5 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.897 107.3 52.1 -59.3 -42.6 66.0 43.9 41.8 26 52 A L H < S+ 0 0 38 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 0.918 116.1 39.9 -60.7 -44.0 68.5 41.5 40.2 27 53 A L H >X S+ 0 0 37 -4,-2.0 4,-1.4 1,-0.2 3,-0.5 0.671 106.8 66.7 -79.2 -18.3 71.1 42.4 43.0 28 54 A A H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.823 77.1 79.7 -72.7 -33.0 68.5 42.4 45.7 29 55 A T T 3< S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.857 108.3 32.1 -41.0 -40.8 67.7 38.7 45.5 30 56 A D T <4 S+ 0 0 106 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.949 98.4 111.0 -79.9 -57.7 70.8 38.3 47.6 31 57 A A < - 0 0 5 -4,-1.4 193,-0.2 1,-0.1 3,-0.1 0.373 50.2-160.3 -24.5 140.6 70.7 41.5 49.6 32 58 A D S S+ 0 0 67 191,-3.0 37,-2.4 1,-0.4 2,-0.4 0.763 87.4 19.7 -92.1 -37.2 70.1 41.7 53.4 33 59 A I E -cd 69 224A 1 190,-1.8 192,-3.5 35,-0.2 2,-0.4 -1.000 62.2-174.0-138.6 135.6 69.2 45.4 53.0 34 60 A V E +cd 70 225A 0 35,-1.9 37,-3.1 -2,-0.4 2,-0.3 -0.994 22.4 174.2-125.5 132.1 68.1 47.5 50.1 35 61 A S E -cd 71 226A 0 190,-2.9 192,-3.9 -2,-0.4 2,-0.3 -0.935 30.2-134.5-143.1 165.5 67.7 51.2 50.6 36 62 A R E -cd 72 227A 0 35,-2.1 37,-2.4 -2,-0.3 40,-0.2 -0.867 14.4-179.2-113.0 148.4 67.0 54.6 49.0 37 63 A C + 0 0 5 190,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.616 60.9 22.3-123.4 -19.2 69.1 57.6 49.8 38 64 A Q S S+ 0 0 10 189,-0.3 -1,-0.3 37,-0.1 38,-0.2 -0.969 89.3 27.9-149.0 163.1 67.6 60.5 47.8 39 65 A G - 0 0 0 36,-0.5 38,-2.5 -2,-0.3 2,-0.2 -0.364 61.6-116.3 85.8-167.8 64.6 61.8 46.0 40 66 A G > - 0 0 0 36,-0.2 3,-1.3 -2,-0.1 38,-0.1 -0.517 59.2 -47.8-144.9-147.7 60.9 61.1 46.7 41 67 A N T 3 S+ 0 0 13 36,-0.3 17,-0.1 1,-0.3 37,-0.1 0.397 113.3 90.4 -79.2 8.4 58.0 59.4 44.9 42 68 A N T 3 S+ 0 0 27 15,-0.1 -1,-0.3 97,-0.1 16,-0.1 0.827 74.4 87.8 -68.0 -25.7 59.0 61.5 41.9 43 69 A A < - 0 0 4 -3,-1.3 2,-0.3 14,-0.4 186,-0.1 -0.232 65.8-161.3 -67.2 158.7 61.2 58.5 41.1 44 70 A G + 0 0 17 13,-0.1 2,-0.6 14,-0.0 13,-0.2 -0.763 9.8 179.2-149.4 97.2 59.7 55.6 39.1 45 71 A H E -J 56 0B 6 11,-2.8 11,-2.8 -2,-0.3 2,-0.4 -0.897 11.4-158.3-109.2 115.7 61.4 52.2 39.3 46 72 A T E -J 55 0B 47 -2,-0.6 2,-0.4 9,-0.3 9,-0.2 -0.772 8.6-173.5 -93.8 128.5 59.9 49.4 37.3 47 73 A V E -J 54 0B 0 7,-1.8 7,-3.4 -2,-0.4 2,-0.4 -0.959 5.1-169.3-122.3 139.2 60.6 45.8 38.2 48 74 A V E +Jk 53 423B 20 374,-0.6 376,-2.0 -2,-0.4 2,-0.4 -0.914 19.1 154.1-132.7 107.1 59.5 42.7 36.2 49 75 A V E > -J 52 0B 15 3,-1.8 3,-2.4 -2,-0.4 -2,-0.1 -0.996 64.1 -13.3-137.1 139.9 59.9 39.3 37.7 50 76 A D T 3 S- 0 0 158 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.791 127.7 -47.5 43.2 42.5 58.1 35.9 37.2 51 77 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.176 115.0 105.6 93.4 -21.5 55.2 37.5 35.3 52 78 A K E < -J 49 0B 97 -3,-2.4 -3,-1.8 2,-0.0 2,-0.5 -0.747 53.0-153.5 -98.6 146.5 54.4 40.4 37.5 53 79 A E E -J 48 0B 92 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.970 14.5-175.5-120.6 124.7 55.3 44.1 36.8 54 80 A Y E -J 47 0B 19 -7,-3.4 -7,-1.8 -2,-0.5 2,-0.3 -0.757 15.9-161.3-115.7 161.9 55.8 46.6 39.6 55 81 A D E -J 46 0B 27 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.2 -0.811 16.3-174.4-146.3 98.9 56.5 50.3 39.8 56 82 A F E +J 45 0B 0 -11,-2.8 -11,-2.8 -2,-0.3 5,-0.1 -0.539 16.8 169.2 -91.9 160.2 57.9 51.7 43.0 57 83 A H S S+ 0 0 30 -13,-0.2 -14,-0.4 -2,-0.2 -1,-0.1 0.524 85.6 6.4-138.3 -40.7 58.5 55.3 43.9 58 84 A L S S+ 0 0 0 -17,-0.1 -22,-0.1 25,-0.1 -2,-0.1 0.635 110.8 88.1-115.0 -38.2 59.3 55.5 47.6 59 85 A L S S- 0 0 0 24,-0.1 -24,-0.1 1,-0.1 -3,-0.1 -0.429 89.0-113.0 -66.2 128.4 59.5 51.8 48.4 60 86 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.379 25.6-120.6 -60.1 142.8 62.9 50.4 47.8 61 87 A S G > S+ 0 0 0 1,-0.3 3,-0.8 2,-0.1 4,-0.1 0.656 111.1 67.5 -61.7 -14.9 62.7 48.0 44.8 62 88 A G G > + 0 0 1 1,-0.2 3,-2.8 2,-0.1 -1,-0.3 0.517 68.0 99.9 -82.3 -2.9 63.9 45.2 47.1 63 89 A I G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.818 71.6 68.1 -50.7 -31.0 60.6 45.4 49.0 64 90 A I G < S+ 0 0 36 -3,-0.8 2,-0.6 -4,-0.2 -1,-0.3 0.775 82.2 86.2 -58.7 -30.7 59.7 42.4 46.9 65 91 A N X - 0 0 29 -3,-2.8 3,-0.8 1,-0.2 5,-0.0 -0.653 59.2-169.8 -78.1 118.0 62.2 40.3 48.8 66 92 A T T 3 S+ 0 0 99 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.788 85.4 61.3 -77.7 -28.3 60.6 39.0 52.0 67 93 A K T 3 S+ 0 0 185 -38,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.129 103.1 64.4 -83.5 19.3 64.0 37.8 53.3 68 94 A A S < S- 0 0 4 -3,-0.8 2,-0.4 -6,-0.1 -35,-0.2 -0.990 75.9-125.7-145.1 152.6 65.3 41.4 53.3 69 95 A V E -c 33 0A 49 -37,-2.4 -35,-1.9 -2,-0.3 2,-0.5 -0.795 21.8-142.0 -98.9 139.2 64.7 44.7 55.0 70 96 A S E -ce 34 102A 0 31,-4.0 33,-2.5 -2,-0.4 2,-0.4 -0.868 18.6-158.7-103.5 132.8 64.0 47.8 52.9 71 97 A F E -ce 35 103A 0 -37,-3.1 -35,-2.1 -2,-0.5 2,-0.6 -0.891 17.4-163.4-119.5 143.4 65.4 51.1 54.1 72 98 A I E -ce 36 104A 0 31,-2.0 33,-2.8 -2,-0.4 36,-0.2 -0.931 26.6-147.6-121.9 104.2 64.5 54.7 53.5 73 99 A G > - 0 0 0 -37,-2.4 3,-1.3 -2,-0.6 185,-0.2 -0.069 26.5-100.7 -69.6 168.7 67.4 57.0 54.5 74 100 A N T 3 S+ 0 0 25 183,-0.4 35,-0.5 1,-0.3 184,-0.2 0.735 114.7 67.6 -59.4 -27.8 67.4 60.5 55.9 75 101 A G T 3 S+ 0 0 0 182,-2.0 -36,-0.5 -39,-0.2 -1,-0.3 0.768 84.8 90.1 -66.9 -26.2 68.3 62.0 52.5 76 102 A V S < S- 0 0 0 -3,-1.3 33,-1.1 181,-0.4 2,-0.5 -0.254 70.3-137.9 -70.6 155.2 64.9 61.1 51.1 77 103 A V E -l 109 0C 0 -38,-2.5 2,-0.4 31,-0.2 -36,-0.3 -0.983 22.5-153.6-118.1 121.7 61.7 63.3 51.2 78 104 A I E -l 110 0C 2 31,-3.1 33,-3.6 -2,-0.5 2,-0.8 -0.836 18.1-163.7-108.0 132.3 58.6 61.4 52.0 79 105 A H > - 0 0 12 -2,-0.4 4,-2.3 31,-0.2 3,-0.2 -0.859 16.9-156.8-108.5 92.4 54.9 62.2 51.1 80 106 A L H > S+ 0 0 2 -2,-0.8 4,-2.3 1,-0.2 5,-0.3 0.843 89.4 47.3 -35.9 -61.5 53.0 60.0 53.5 81 107 A P H > S+ 0 0 32 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.958 114.3 49.3 -51.1 -49.8 49.7 59.7 51.6 82 108 A G H > S+ 0 0 6 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.863 108.3 54.9 -56.1 -37.7 51.8 59.0 48.5 83 109 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.976 114.0 37.8 -60.6 -56.8 53.7 56.3 50.4 84 110 A F H X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.872 111.3 59.5 -62.8 -39.3 50.6 54.4 51.5 85 111 A E H X S+ 0 0 144 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.944 109.3 46.0 -53.0 -47.2 48.9 55.0 48.2 86 112 A E H X S+ 0 0 11 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.887 112.1 49.8 -62.2 -44.8 51.9 53.1 46.6 87 113 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.937 111.5 48.1 -61.8 -49.3 51.8 50.3 49.2 88 114 A E H X S+ 0 0 57 -4,-3.3 4,-2.6 1,-0.2 3,-0.3 0.973 108.8 54.6 -53.8 -57.1 48.1 49.7 48.7 89 115 A K H < S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.848 116.1 38.7 -44.2 -43.6 48.6 49.7 44.9 90 116 A N H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.1 3,-1.1 0.768 108.4 60.8 -82.3 -28.8 51.2 47.0 45.3 91 117 A E H ><5S+ 0 0 51 -4,-2.8 3,-3.0 -3,-0.3 2,-1.6 0.976 99.4 57.3 -60.4 -51.7 49.4 45.1 48.1 92 118 A K T 3<5S+ 0 0 156 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.051 107.4 53.2 -67.4 32.4 46.5 44.5 45.7 93 119 A K T < 5S- 0 0 57 -2,-1.6 -1,-0.3 -3,-1.1 -2,-0.2 0.276 135.3 -76.2-146.2 -1.0 49.2 42.9 43.6 94 120 A G T < 5S+ 0 0 48 -3,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.157 82.9 137.2 122.7 -19.9 50.7 40.4 46.0 95 121 A L < + 0 0 7 -5,-2.1 2,-0.4 -8,-0.1 -1,-0.3 -0.455 30.6 176.4 -63.6 117.3 52.8 42.6 48.3 96 122 A K + 0 0 105 -2,-0.4 -1,-0.0 1,-0.1 -5,-0.0 -0.983 53.3 1.2-133.1 141.6 52.3 41.3 51.8 97 123 A D S >> S+ 0 0 90 -2,-0.4 3,-1.4 1,-0.1 4,-0.6 0.669 72.8 145.9 64.3 19.9 53.7 42.2 55.3 98 124 A W G >4 + 0 0 1 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.890 64.4 65.7 -52.9 -39.9 55.9 44.9 53.7 99 125 A E G >4 S+ 0 0 55 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.849 95.8 56.0 -50.5 -38.7 55.5 46.9 56.9 100 126 A K G <4 S+ 0 0 170 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.658 115.1 38.7 -70.9 -15.4 57.4 44.2 58.8 101 127 A R G << S+ 0 0 22 -3,-2.2 -31,-4.0 -4,-0.6 2,-0.4 0.166 98.2 91.0-121.1 19.2 60.3 44.7 56.4 102 128 A L E < -e 70 0A 3 -3,-1.0 2,-0.4 -4,-0.3 -31,-0.2 -0.941 50.0-171.7-116.3 138.1 60.3 48.5 55.9 103 129 A I E -e 71 0A 17 -33,-2.5 -31,-2.0 -2,-0.4 2,-0.5 -0.993 8.7-155.0-131.7 129.3 62.3 50.9 58.0 104 130 A I E -ef 72 206A 0 101,-2.4 103,-2.4 -2,-0.4 2,-0.2 -0.897 21.4-126.1-106.7 125.5 62.0 54.7 57.8 105 131 A S E > - 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0 0 1 -44,-0.4 -44,-2.7 16,-0.0 2,-0.3 -0.964 19.3-146.9-130.5 146.9 59.6 68.9 59.1 155 181 A R B >> -M 109 0C 82 -2,-0.4 4,-1.6 -46,-0.2 3,-1.0 -0.716 31.1-103.9-114.9 163.5 61.0 65.5 59.7 156 182 A I H 3> S+ 0 0 0 -48,-2.1 4,-2.0 1,-0.3 3,-0.2 0.857 121.4 52.8 -47.3 -43.7 59.6 62.1 60.6 157 183 A C H 3> S+ 0 0 41 -51,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.841 105.3 54.1 -65.4 -33.0 60.8 62.5 64.2 158 184 A D H <4 S+ 0 0 49 -3,-1.0 -1,-0.2 -52,-0.2 -2,-0.2 0.838 107.4 53.1 -69.4 -29.5 59.1 65.8 64.5 159 185 A L H < S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.921 110.2 44.4 -71.2 -45.8 55.9 64.0 63.4 160 186 A L H < S+ 0 0 35 -4,-2.0 3,-0.2 39,-0.1 -1,-0.2 0.792 106.2 73.1 -69.7 -29.2 56.1 61.3 66.1 161 187 A S S < S- 0 0 74 -4,-1.7 2,-0.4 1,-0.2 -3,-0.1 0.298 111.7 -24.6 -66.6-158.4 57.0 63.8 68.9 162 188 A D > - 0 0 60 1,-0.2 4,-2.0 2,-0.1 3,-0.5 -0.373 56.9-156.3 -57.0 112.1 54.5 66.2 70.4 163 189 A F H > S+ 0 0 31 -2,-0.4 4,-3.7 1,-0.2 5,-0.2 0.836 90.2 63.0 -60.3 -32.8 51.9 66.7 67.8 164 190 A D H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 106.9 41.6 -59.1 -44.6 51.0 70.1 69.3 165 191 A E H > S+ 0 0 113 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.878 115.5 52.7 -70.1 -37.2 54.5 71.5 68.6 166 192 A F H X S+ 0 0 4 -4,-2.0 4,-3.7 1,-0.2 5,-0.2 0.975 106.0 52.1 -59.9 -56.7 54.4 69.8 65.2 167 193 A S H X S+ 0 0 24 -4,-3.7 4,-2.8 1,-0.2 -1,-0.2 0.813 109.2 51.2 -50.6 -35.2 51.0 71.4 64.3 168 194 A A H X S+ 0 0 51 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.968 112.3 44.5 -68.1 -52.2 52.4 74.8 65.2 169 195 A R H X S+ 0 0 137 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 114.7 50.7 -55.1 -47.2 55.5 74.3 63.0 170 196 A F H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 5,-0.2 0.943 106.1 55.8 -54.3 -51.8 53.2 73.0 60.3 171 197 A K H X S+ 0 0 83 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.889 111.0 43.5 -46.8 -50.0 50.9 76.0 60.6 172 198 A N H X S+ 0 0 93 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.857 109.8 53.8 -69.6 -38.5 53.8 78.4 60.0 173 199 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.872 111.8 47.6 -64.7 -35.8 55.3 76.5 57.1 174 200 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.911 109.8 50.4 -70.7 -44.3 52.0 76.5 55.4 175 201 A H H X S+ 0 0 74 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.819 108.4 56.5 -63.4 -30.0 51.4 80.2 56.0 176 202 A Q H X S+ 0 0 99 -4,-1.8 4,-0.6 2,-0.2 3,-0.4 0.897 105.3 47.8 -69.3 -42.8 54.8 80.8 54.5 177 203 A H H >X S+ 0 0 13 -4,-1.5 4,-2.3 1,-0.2 3,-1.2 0.883 107.0 58.2 -65.7 -36.3 54.1 79.1 51.2 178 204 A Q H 3< S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 98.2 61.0 -62.9 -26.8 50.9 81.0 50.9 179 205 A S H 3< S+ 0 0 97 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.738 108.5 42.7 -71.6 -23.6 53.0 84.2 51.1 180 206 A M H << S+ 0 0 126 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.829 131.7 24.4 -87.7 -40.3 54.7 83.1 47.9 181 207 A F >< - 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