==== 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 15-MAR-06 2DGN . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.V.IANCU,Y.ZHOU,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) . 17978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.4 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 . 31 7.2 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 . 120 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 0 1 1 0 3 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 2 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 0 143 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.9 86.5 43.6 59.4 2 28 A A + 0 0 99 2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.875 360.0 30.4 -90.2 -46.7 87.7 47.0 60.6 3 29 A T S S- 0 0 54 1,-0.3 2,-0.2 260,-0.1 -1,-0.1 0.636 109.7-130.9 -87.4 -15.9 85.4 49.2 58.5 4 30 A G - 0 0 22 214,-0.1 -1,-0.3 2,-0.0 214,-0.2 -0.479 48.8 -22.4 95.8-170.3 82.6 46.7 58.5 5 31 A S - 0 0 22 212,-2.0 2,-0.3 211,-0.2 218,-0.1 -0.449 63.3-132.0 -77.0 150.1 80.5 45.5 55.6 6 32 A R - 0 0 143 -2,-0.1 218,-0.5 216,-0.1 259,-0.3 -0.804 16.2-126.9-103.8 144.8 80.3 47.6 52.4 7 33 A V E -a 265 0A 0 257,-3.3 259,-3.0 -2,-0.3 2,-0.4 -0.559 12.3-130.6 -91.4 153.5 77.1 48.4 50.6 8 34 A T E - b 0 225A 40 216,-2.9 218,-3.3 -2,-0.2 2,-0.4 -0.857 25.3-154.6-100.8 134.0 76.3 47.9 46.9 9 35 A V E -ab 268 226A 0 258,-3.5 260,-3.5 -2,-0.4 2,-0.5 -0.897 14.1-165.5-117.4 143.9 74.8 50.9 45.0 10 36 A V E +ab 269 227A 0 216,-2.4 218,-2.7 -2,-0.4 2,-0.3 -0.981 20.6 172.9-124.6 114.9 72.6 51.1 41.9 11 37 A L E -a 270 0A 2 258,-2.7 260,-2.9 -2,-0.5 2,-0.3 -0.908 34.1-113.3-124.6 153.1 72.4 54.6 40.3 12 38 A G E -a 271 0A 1 218,-0.3 220,-1.6 -2,-0.3 260,-0.1 -0.601 21.6-163.3 -80.3 142.1 70.9 56.0 37.1 13 39 A A S S+ 0 0 0 258,-1.8 311,-0.2 -2,-0.3 -1,-0.1 0.503 70.1 25.6-107.2 -3.9 73.5 57.2 34.6 14 40 A Q S S- 0 0 1 257,-0.3 219,-1.9 216,-0.1 220,-0.3 0.233 119.7 -44.7-123.2-116.5 71.4 59.4 32.3 15 41 A W S S- 0 0 3 1,-0.5 264,-0.4 262,-0.4 216,-0.1 -0.113 94.3 -83.8-116.5 34.2 68.1 61.2 32.8 16 42 A G S S+ 0 0 5 214,-0.2 -1,-0.5 262,-0.1 261,-0.2 -0.198 100.5 75.1 94.1 173.2 66.2 58.5 34.6 17 43 A D + 0 0 43 1,-0.1 214,-0.1 27,-0.1 261,-0.0 0.778 53.4 136.6 50.6 36.2 64.2 55.5 33.7 18 44 A E S S- 0 0 0 253,-0.1 318,-0.1 255,-0.1 256,-0.1 0.692 84.4 -85.2 -81.4 -21.2 67.4 53.5 32.8 19 45 A G S > S+ 0 0 22 252,-0.1 4,-2.3 254,-0.1 5,-0.2 0.682 74.5 148.8 119.3 36.0 66.1 50.4 34.5 20 46 A K H > S+ 0 0 5 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.900 74.4 56.0 -64.1 -43.5 67.0 50.8 38.2 21 47 A G H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 110.2 46.9 -55.6 -43.4 64.0 48.9 39.4 22 48 A K H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.936 115.0 43.1 -65.2 -49.8 65.1 45.9 37.2 23 49 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 115.8 49.0 -66.0 -41.8 68.7 45.9 38.3 24 50 A V H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.936 108.9 52.9 -61.7 -46.8 67.9 46.4 41.9 25 51 A D H < S+ 0 0 5 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.896 109.2 50.2 -55.8 -41.2 65.3 43.6 41.9 26 52 A L H >< S+ 0 0 40 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.915 114.8 42.8 -63.4 -43.7 67.9 41.3 40.4 27 53 A L H >< S+ 0 0 33 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.658 104.1 65.9 -78.2 -16.9 70.5 42.2 43.1 28 54 A A G >< S+ 0 0 4 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.563 72.7 92.5 -82.6 -8.1 68.0 42.1 46.0 29 55 A T G < S+ 0 0 65 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.798 103.9 22.3 -56.9 -30.0 67.3 38.4 45.7 30 56 A D G < S+ 0 0 76 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.3 0.083 98.7 120.5-124.6 23.5 70.1 37.7 48.3 31 57 A A < - 0 0 2 -3,-1.4 193,-0.2 1,-0.1 3,-0.1 -0.670 48.9-158.7 -91.3 144.7 70.2 41.1 50.0 32 58 A D S S+ 0 0 61 191,-2.0 37,-2.4 1,-0.3 2,-0.4 0.775 84.9 22.4 -87.2 -31.6 69.5 41.5 53.7 33 59 A I E -cd 69 224A 8 190,-1.9 192,-3.3 35,-0.2 2,-0.4 -0.999 62.3-175.3-140.7 133.1 68.7 45.1 53.4 34 60 A V E +cd 70 225A 0 35,-2.3 37,-2.8 -2,-0.4 2,-0.3 -0.997 21.8 175.4-127.5 132.2 67.5 47.1 50.4 35 61 A S E -cd 71 226A 0 190,-2.4 192,-3.5 -2,-0.4 2,-0.3 -0.964 33.2-137.5-146.4 161.1 67.1 50.9 50.7 36 62 A R E +cd 72 227A 1 35,-2.0 37,-2.7 -2,-0.3 40,-0.2 -0.844 17.1 179.9-107.0 143.8 66.3 54.3 49.1 37 63 A C + 0 0 6 190,-0.6 38,-0.3 -2,-0.3 2,-0.3 0.662 61.1 15.1-119.7 -25.9 68.5 57.2 50.1 38 64 A Q S S+ 0 0 17 37,-0.1 -1,-0.3 2,-0.1 38,-0.3 -0.917 91.9 38.0-144.4 169.6 67.2 60.3 48.2 39 65 A G B -j 76 0B 0 36,-0.6 38,-2.3 -2,-0.3 2,-0.2 -0.264 61.6-119.4 84.2-174.4 64.1 61.4 46.2 40 66 A G > - 0 0 0 36,-0.2 3,-1.7 -2,-0.1 38,-0.1 -0.579 57.9 -51.4-143.8-155.3 60.4 60.8 46.8 41 67 A N T 3 S+ 0 0 12 36,-0.3 17,-0.1 1,-0.3 37,-0.1 0.242 110.3 95.4 -77.4 19.7 57.7 59.1 44.8 42 68 A N T 3 S+ 0 0 23 15,-0.1 -1,-0.3 97,-0.1 2,-0.1 0.732 75.1 83.2 -74.8 -19.3 58.7 61.3 41.9 43 69 A A < - 0 0 6 -3,-1.7 2,-0.3 14,-0.3 186,-0.0 -0.456 66.1-164.6 -80.3 153.5 60.6 58.2 41.1 44 70 A G - 0 0 32 -2,-0.1 2,-0.6 14,-0.1 13,-0.2 -0.870 6.6-177.0-145.1 105.5 59.0 55.2 39.3 45 71 A H E -K 56 0C 8 11,-3.1 11,-2.6 -2,-0.3 2,-0.3 -0.919 11.1-154.0-115.1 114.5 60.7 51.9 39.3 46 72 A T E -K 55 0C 61 -2,-0.6 2,-0.4 9,-0.3 9,-0.3 -0.650 11.0-173.4 -86.9 133.1 59.2 48.9 37.4 47 73 A V E -K 54 0C 0 7,-2.9 7,-3.4 -2,-0.3 2,-0.5 -0.991 8.9-166.7-130.3 134.1 59.9 45.3 38.4 48 74 A V E +Kl 53 423C 18 374,-0.6 376,-2.8 -2,-0.4 2,-0.5 -0.886 15.2 165.4-124.4 100.7 58.9 42.1 36.5 49 75 A V E > -K 52 0C 21 3,-1.8 3,-2.2 -2,-0.5 2,-0.2 -0.966 68.5 -33.3-114.9 125.9 59.1 38.9 38.5 50 76 A D T 3 S- 0 0 143 -2,-0.5 374,-0.1 1,-0.3 375,-0.1 -0.489 123.8 -34.3 63.9-127.0 57.4 35.8 37.0 51 77 A G T 3 S+ 0 0 81 -2,-0.2 2,-0.4 372,-0.0 -1,-0.3 0.165 118.2 104.0-110.3 17.2 54.3 37.1 35.2 52 78 A K E < -K 49 0C 90 -3,-2.2 -3,-1.8 2,-0.0 2,-0.5 -0.851 52.9-162.5-104.3 132.0 53.8 39.9 37.8 53 79 A E E -K 48 0C 87 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.952 9.2-176.9-117.1 130.7 54.7 43.5 37.1 54 80 A Y E -K 47 0C 24 -7,-3.4 -7,-2.9 -2,-0.5 2,-0.3 -0.868 16.5-159.3-122.8 155.9 55.2 46.1 39.8 55 81 A D E -K 46 0C 15 -2,-0.3 -9,-0.3 -9,-0.3 2,-0.1 -0.807 18.0-172.8-138.4 95.6 55.9 49.8 39.8 56 82 A F E +K 45 0C 1 -11,-2.6 -11,-3.1 -2,-0.3 5,-0.1 -0.420 17.7 165.4 -84.5 161.8 57.3 51.1 43.1 57 83 A H S S+ 0 0 40 -13,-0.2 -14,-0.3 -2,-0.1 -1,-0.1 0.486 83.5 10.2-141.4 -50.5 57.9 54.8 43.9 58 84 A L S S+ 0 0 1 -17,-0.1 -22,-0.1 24,-0.1 -2,-0.1 0.697 112.3 82.8-105.6 -35.4 58.6 55.1 47.7 59 85 A L S S- 0 0 0 24,-0.1 -24,-0.1 1,-0.1 43,-0.0 -0.477 91.2-111.9 -70.9 136.0 58.9 51.5 48.5 60 86 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.409 27.7-116.4 -64.4 150.9 62.4 50.1 47.8 61 87 A S G > S+ 0 0 0 1,-0.3 3,-0.6 2,-0.1 4,-0.1 0.579 111.9 68.5 -66.3 -7.6 62.2 47.6 44.9 62 88 A G G > + 0 0 2 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.341 64.0 100.8 -92.4 7.6 63.3 44.9 47.2 63 89 A I G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.737 73.7 68.8 -61.7 -19.6 60.0 45.0 49.1 64 90 A I G < S+ 0 0 34 -3,-0.6 2,-1.2 -4,-0.1 -1,-0.3 0.823 80.3 79.9 -66.3 -37.4 59.2 41.9 47.0 65 91 A N X - 0 0 27 -3,-1.4 3,-2.1 1,-0.2 -1,-0.1 -0.648 65.9-166.5 -78.3 98.3 61.8 39.8 48.8 66 92 A T T 3 S+ 0 0 104 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.704 85.2 59.4 -59.2 -20.5 59.9 38.9 52.0 67 93 A K T 3 S+ 0 0 111 -38,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.426 98.7 72.5 -90.1 1.7 63.1 37.7 53.6 68 94 A A S < S- 0 0 1 -3,-2.1 2,-0.5 -6,-0.2 -35,-0.2 -0.817 78.7-122.9-116.9 157.1 64.8 41.1 53.3 69 95 A V E -c 33 0A 49 -37,-2.4 -35,-2.3 -2,-0.3 2,-0.4 -0.857 19.8-147.9-100.5 126.8 64.2 44.4 55.1 70 96 A S E -ce 34 102A 0 31,-3.2 33,-2.7 -2,-0.5 2,-0.4 -0.809 17.5-164.2 -94.2 135.1 63.3 47.5 53.0 71 97 A F E -ce 35 103A 0 -37,-2.8 -35,-2.0 -2,-0.4 2,-0.7 -0.979 17.6-157.2-129.5 130.3 64.7 50.7 54.4 72 98 A I E -ce 36 104A 0 31,-2.5 33,-2.3 -2,-0.4 36,-0.2 -0.897 28.9-145.2-104.0 106.3 63.7 54.4 53.6 73 99 A G > - 0 0 0 -37,-2.7 3,-1.2 -2,-0.7 185,-0.2 0.024 24.7 -98.3 -67.2 174.2 66.7 56.6 54.6 74 100 A N T 3 S+ 0 0 25 183,-0.7 35,-0.4 1,-0.2 184,-0.2 0.722 115.9 64.3 -65.7 -22.8 66.9 60.1 56.0 75 101 A G T 3 S+ 0 0 0 182,-1.8 -36,-0.6 -38,-0.3 -1,-0.2 0.671 84.7 93.3 -77.7 -15.1 67.5 61.7 52.6 76 102 A V B < -j 39 0B 1 -3,-1.2 33,-1.2 181,-0.3 2,-0.6 -0.403 69.8-137.4 -77.5 151.3 64.1 60.6 51.2 77 103 A V E -m 109 0D 1 -38,-2.3 2,-0.5 31,-0.2 -36,-0.3 -0.960 22.1-152.0-113.6 116.6 61.0 62.9 51.3 78 104 A I E -m 110 0D 0 31,-3.0 33,-3.0 -2,-0.6 2,-0.8 -0.770 17.2-167.1 -98.2 126.5 57.9 61.0 52.3 79 105 A H > - 0 0 11 -2,-0.5 4,-2.4 31,-0.2 5,-0.1 -0.917 16.5-156.3-106.4 101.5 54.3 61.8 51.3 80 106 A L H > S+ 0 0 3 -2,-0.8 4,-2.2 31,-0.3 5,-0.3 0.871 87.4 51.0 -47.6 -49.2 52.4 59.6 53.6 81 107 A P H > S+ 0 0 43 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.963 112.8 45.9 -57.7 -50.4 49.2 59.4 51.5 82 108 A G H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.866 108.6 58.4 -58.3 -38.1 51.1 58.4 48.4 83 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.966 112.2 38.0 -56.3 -56.0 53.1 55.8 50.4 84 110 A F H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.867 112.9 55.9 -66.1 -37.9 50.0 54.0 51.5 85 111 A E H X S+ 0 0 107 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.938 111.4 46.7 -58.2 -45.0 48.2 54.3 48.2 86 112 A E H X S+ 0 0 8 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.941 111.5 49.7 -60.3 -52.9 51.2 52.7 46.6 87 113 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.889 113.7 45.5 -55.6 -44.7 51.5 49.9 49.1 88 114 A E H X S+ 0 0 90 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.913 107.0 57.9 -67.4 -42.6 47.8 49.0 48.8 89 115 A K H < S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.838 114.7 39.5 -56.0 -31.1 48.0 49.2 45.0 90 116 A N H ><>S+ 0 0 2 -4,-1.5 5,-2.4 2,-0.2 3,-1.3 0.740 104.0 66.1 -89.8 -26.8 50.6 46.5 45.3 91 117 A E H ><5S+ 0 0 76 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.903 99.6 54.8 -59.6 -38.0 48.9 44.6 48.1 92 118 A K T 3<5S+ 0 0 175 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.643 102.7 57.2 -69.4 -14.1 46.2 43.9 45.5 93 119 A K T < 5S- 0 0 75 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.184 136.6 -81.7-100.3 14.5 49.0 42.5 43.3 94 120 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.259 82.2 144.5 106.8 -12.3 50.0 40.0 45.9 95 121 A L < + 0 0 13 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.473 25.0 171.1 -64.6 120.4 52.2 42.1 48.2 96 122 A K + 0 0 149 -2,-0.3 -4,-0.0 1,-0.1 -5,-0.0 -0.981 51.8 10.1-135.6 146.9 51.5 41.0 51.7 97 123 A D S > S+ 0 0 61 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.735 72.9 141.9 60.9 27.1 53.1 41.7 55.1 98 124 A W G > + 0 0 0 1,-0.2 3,-2.5 2,-0.2 -28,-0.2 0.928 64.5 61.8 -62.0 -45.2 55.2 44.6 53.7 99 125 A E G 3 S+ 0 0 74 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.674 98.2 59.1 -54.9 -19.3 54.7 46.7 56.9 100 126 A K G < S+ 0 0 167 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.613 113.7 35.4 -87.7 -13.5 56.5 44.0 58.8 101 127 A R S < S+ 0 0 22 -3,-2.5 -31,-3.2 -4,-0.4 2,-0.5 0.019 97.4 96.6-127.7 27.2 59.6 44.3 56.7 102 128 A L E -e 70 0A 2 -3,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.980 49.3-171.7-120.8 128.0 59.6 48.1 56.1 103 129 A I E -e 71 0A 14 -33,-2.7 -31,-2.5 -2,-0.5 2,-0.4 -0.966 6.0-157.8-121.2 134.4 61.7 50.5 58.2 104 130 A I E -ef 72 206A 0 101,-2.0 103,-2.6 -2,-0.4 2,-0.3 -0.934 19.3-124.0-116.5 134.2 61.5 54.2 58.0 105 131 A S E > - 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0 0 76 -6,-0.9 2,-0.1 149,-0.0 -3,-0.1 -0.972 54.2-172.5-160.3 144.0 58.3 77.0 29.7 133 159 A N - 0 0 29 -2,-0.3 -10,-0.1 -4,-0.0 -9,-0.0 -0.203 44.5 -85.8-113.8-152.3 58.6 75.2 33.0 134 160 A I - 0 0 35 -2,-0.1 147,-1.1 146,-0.1 -11,-0.0 0.753 47.1-120.3 -95.4 -28.4 60.6 72.2 34.3 135 161 A G - 0 0 13 145,-0.3 108,-0.0 1,-0.1 -12,-0.0 0.746 46.8-174.5 89.5 26.0 58.4 69.3 33.5 136 162 A T - 0 0 32 1,-0.1 -1,-0.1 -17,-0.1 109,-0.1 0.050 37.4-121.6 -50.3 160.0 58.1 68.3 37.1 137 163 A T - 0 0 61 143,-0.0 -1,-0.1 0, 0.0 -17,-0.1 0.496 42.2-127.4 -83.4 -5.3 56.4 65.2 38.3 138 164 A K S S+ 0 0 115 -19,-0.1 -18,-0.2 1,-0.1 -19,-0.1 0.839 73.7 124.8 59.7 38.3 54.1 67.5 40.4 139 165 A K S S- 0 0 71 -20,-0.1 -23,-0.2 -24,-0.0 -98,-0.1 0.306 81.7-113.6-105.1 5.2 54.8 65.5 43.6 140 166 A G S > S+ 0 0 0 -24,-0.4 4,-2.4 -25,-0.2 5,-0.2 0.689 73.2 138.2 70.5 18.1 56.0 68.6 45.5 141 167 A I H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 71.5 48.6 -59.3 -48.1 59.5 67.2 45.7 142 168 A G H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 112.8 46.2 -58.7 -52.5 61.0 70.6 44.9 143 169 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 112.7 50.6 -59.6 -39.6 58.9 72.5 47.5 144 170 A T H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 111.9 46.2 -65.1 -46.2 59.6 69.9 50.2 145 171 A Y H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.811 109.1 57.4 -66.2 -27.5 63.3 70.0 49.6 146 172 A S H X S+ 0 0 77 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.888 108.7 44.9 -69.3 -37.1 63.1 73.8 49.6 147 173 A S H X>S+ 0 0 6 -4,-1.8 5,-1.9 2,-0.2 6,-1.3 0.865 109.3 56.9 -73.1 -36.0 61.5 73.6 53.1 148 174 A K H ><5S+ 0 0 62 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.960 107.7 46.6 -58.5 -51.1 64.2 71.1 54.2 149 175 A A H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 113.8 49.4 -60.5 -32.4 67.0 73.5 53.3 150 176 A A H 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.661 107.2-129.0 -80.8 -15.5 65.1 76.3 55.1 151 177 A R T <<5S+ 0 0 221 -4,-1.2 -3,-0.2 -3,-1.0 -2,-0.1 0.691 82.8 109.1 72.8 20.9 64.6 74.1 58.2 152 178 A T < + 0 0 37 -5,-1.9 -4,-0.2 -6,-0.1 21,-0.1 0.607 53.5 96.2 -97.5 -18.7 60.9 75.0 58.1 153 179 A G S S- 0 0 8 -6,-1.3 2,-0.3 -9,-0.1 -42,-0.1 -0.098 71.5-124.5 -66.9 169.8 59.9 71.5 57.0 154 180 A L - 0 0 0 -44,-0.4 -44,-2.6 16,-0.0 2,-0.2 -0.889 20.8-148.1-118.7 151.4 58.7 68.8 59.4 155 181 A R B >> -N 109 0D 81 -2,-0.3 4,-1.9 -46,-0.2 3,-0.6 -0.667 31.5 -98.8-117.0 170.2 60.2 65.3 59.8 156 182 A I H 3> S+ 0 0 0 -48,-2.3 4,-1.4 1,-0.3 -49,-0.2 0.886 123.3 51.2 -51.2 -45.6 59.0 61.8 60.7 157 183 A C H 3> S+ 0 0 41 -51,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.835 106.9 54.2 -64.9 -32.0 60.2 62.2 64.3 158 184 A D H <4 S+ 0 0 32 -3,-0.6 3,-0.5 -52,-0.2 -1,-0.2 0.883 106.7 52.2 -68.3 -37.8 58.3 65.5 64.6 159 185 A L H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.8 48.7 -68.4 -31.3 55.1 63.8 63.5 160 186 A L H < S+ 0 0 29 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.576 106.3 60.7 -87.4 -10.6 55.4 61.0 66.1 161 187 A S S < S- 0 0 75 -4,-0.8 2,-0.7 -3,-0.5 -3,-0.1 0.271 112.4 -9.6 -90.8-140.0 56.1 63.3 69.1 162 188 A D > - 0 0 85 1,-0.2 4,-2.3 2,-0.1 3,-0.4 -0.413 59.9-160.6 -61.0 105.2 53.8 66.0 70.6 163 189 A F H > S+ 0 0 39 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.761 87.8 58.9 -60.3 -25.9 51.1 66.3 68.0 164 190 A D H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 107.8 44.2 -70.2 -42.7 50.2 69.8 69.3 165 191 A E H > S+ 0 0 95 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.916 114.5 50.9 -66.0 -41.8 53.6 71.1 68.7 166 192 A F H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 108.7 52.0 -60.1 -44.7 53.6 69.4 65.3 167 193 A S H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.885 110.1 48.4 -60.1 -40.1 50.3 71.0 64.5 168 194 A A H X S+ 0 0 40 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.947 114.3 43.5 -66.7 -50.2 51.5 74.5 65.3 169 195 A R H X S+ 0 0 83 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.844 112.9 55.4 -64.3 -32.6 54.7 74.3 63.3 170 196 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.947 105.5 50.6 -63.6 -50.1 52.6 72.7 60.5 171 197 A K H X S+ 0 0 69 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.899 110.4 50.1 -54.6 -44.5 50.2 75.6 60.4 172 198 A N H X S+ 0 0 108 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.929 109.9 49.4 -61.4 -46.1 53.1 78.0 60.2 173 199 A L H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.890 112.1 50.8 -59.9 -38.9 54.7 76.1 57.3 174 200 A A H >X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 3,-0.7 0.954 110.7 45.6 -63.5 -53.5 51.3 76.1 55.6 175 201 A H H 3X S+ 0 0 99 -4,-2.8 4,-0.8 1,-0.3 3,-0.3 0.883 106.4 60.4 -58.9 -39.6 50.7 79.8 55.9 176 202 A Q H 3X S+ 0 0 90 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.844 105.6 49.9 -57.3 -33.0 54.3 80.5 54.7 177 203 A H H < - 0 0 21 -4,-1.8 3,-2.5 1,-0.1 -1,-0.3 -0.775 67.3-172.0-137.7 89.4 50.7 81.7 46.4 182 208 A P T 3 S+ 0 0 109 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.608 85.5 62.1 -57.1 -13.0 47.7 83.5 48.1 183 209 A T T 3 S+ 0 0 121 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 0.498 75.0 117.7 -92.3 -5.0 45.3 81.4 46.0 184 210 A L < - 0 0 5 -3,-2.5 -70,-0.0 -6,-0.1 -3,-0.0 -0.427 54.2-153.3 -64.1 132.4 46.5 78.1 47.5 185 211 A E + 0 0 140 -2,-0.1 -1,-0.1 2,-0.0 -7,-0.0 0.967 17.6 176.2 -70.7 -88.6 43.7 76.4 49.4 186 212 A I - 0 0 16 1,-0.1 2,-1.7 2,-0.0 3,-0.2 0.931 26.9-143.7 76.7 95.4 45.0 74.2 52.2 187 213 A D > - 0 0 89 1,-0.2 4,-2.5 2,-0.1 5,-0.4 -0.636 22.6-173.4 -86.4 81.3 42.4 72.5 54.5 188 214 A V H > S+ 0 0 30 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.877 78.1 40.0 -43.5 -56.7 44.5 72.8 57.6 189 215 A E H > S+ 0 0 102 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.890 115.1 52.5 -66.7 -38.3 42.3 70.8 60.0 190 216 A G H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.981 115.8 37.8 -59.7 -59.1 41.5 68.1 57.4 191 217 A Q H X S+ 0 0 18 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.938 115.6 54.8 -56.9 -49.1 45.1 67.4 56.4 192 218 A L H X S+ 0 0 2 -4,-2.4 4,-1.5 -5,-0.4 -1,-0.2 0.889 109.9 48.2 -52.1 -41.4 46.2 67.8 60.1 193 219 A K H X S+ 0 0 108 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.919 111.0 48.4 -67.8 -44.9 43.5 65.2 61.0 194 220 A R H >X S+ 0 0 130 -4,-2.5 4,-1.8 1,-0.2 3,-1.0 0.933 107.8 56.8 -60.2 -46.0 44.6 62.7 58.3 195 221 A L H 3X S+ 0 0 12 -4,-3.2 4,-2.3 1,-0.3 -1,-0.2 0.871 98.4 60.0 -53.8 -41.0 48.2 63.1 59.4 196 222 A K H 3X S+ 0 0 116 -4,-1.5 4,-1.2 1,-0.2 -1,-0.3 0.862 106.1 49.3 -57.1 -35.2 47.4 62.1 62.9 197 223 A G H X S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.2 4,-1.0 0.527 92.0 92.3-107.8 -8.3 53.4 54.4 60.6 203 229 A R G >< S+ 0 0 102 -4,-1.1 3,-0.8 1,-0.2 -2,-0.1 0.895 81.7 55.0 -54.3 -48.9 54.7 54.4 64.2 204 230 A P G 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.622 109.6 48.6 -63.9 -11.7 55.6 50.7 64.4 205 231 A M G <4 S+ 0 0 6 -3,-1.3 -101,-2.0 -102,-0.1 -2,-0.2 0.653 89.5 97.5-101.5 -17.9 57.9 51.0 61.3 206 232 A V E << +f 104 0A 16 -4,-1.0 2,-0.3 -3,-0.8 -101,-0.2 -0.434 44.2 156.5 -76.6 145.5 59.9 54.0 62.3 207 233 A R E -f 105 0A 120 -103,-2.6 -101,-2.0 -2,-0.1 2,-0.7 -0.951 53.1 -76.4-155.5 169.9 63.3 53.8 63.8 208 234 A D > - 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0 0 0 -216,-0.1 3,-2.4 1,-0.1 4,-0.4 -0.989 23.9 -89.8-159.2 168.4 69.6 60.0 37.7 232 258 A A G > S+ 0 0 2 -220,-1.6 3,-1.8 -2,-0.3 17,-0.2 0.873 120.9 46.0 -43.5 -57.8 73.0 61.6 37.3 233 259 A L G 3 S+ 0 0 0 -219,-1.9 7,-2.1 1,-0.3 -1,-0.3 0.412 109.0 58.1 -74.2 5.9 72.0 64.3 34.9 234 260 A L G < S+ 0 0 30 -3,-2.4 11,-2.5 -220,-0.3 13,-0.3 0.350 79.2 128.8-109.1 -0.7 69.0 65.1 37.0 235 261 A D <> - 0 0 0 -3,-1.8 4,-2.5 -4,-0.4 13,-0.2 -0.296 65.9-130.8 -59.5 134.5 71.2 65.8 40.1 236 262 A I T 4 S+ 0 0 47 11,-2.0 -1,-0.1 1,-0.2 12,-0.1 0.787 106.8 29.2 -58.3 -29.4 70.6 69.1 41.8 237 263 A D T 4 S+ 0 0 107 10,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.869 134.5 25.1 -96.4 -49.8 74.3 69.9 41.7 238 264 A F T 4 S+ 0 0 82 -6,-0.2 -2,-0.2 2,-0.1 89,-0.0 0.461 101.5 91.5-100.1 -1.7 75.7 68.1 38.6 239 265 A G S < S- 0 0 9 -4,-2.5 2,-2.9 6,-0.1 -5,-0.2 -0.110 100.0 -71.1 -84.5-174.2 72.6 67.8 36.4 240 266 A T S > S- 0 0 4 -7,-2.1 3,-1.8 3,-0.4 43,-0.1 -0.337 77.9-128.5 -74.4 60.3 71.3 70.1 33.6 241 267 A Y T 3 S+ 0 0 143 -2,-2.9 126,-0.6 1,-0.3 -5,-0.0 -0.199 82.5 19.9 -52.1 140.9 70.3 72.6 36.2 242 268 A P T 3 S+ 0 0 59 0, 0.0 2,-2.3 0, 0.0 -1,-0.3 -0.970 117.0 67.9 -86.8 3.8 67.6 74.0 36.6 243 269 A F S < S+ 0 0 17 -3,-1.8 -3,-0.4 37,-0.1 2,-0.3 -0.486 90.4 96.0 -83.6 70.4 66.0 71.2 34.6 244 270 A V S S- 0 0 18 -2,-2.3 2,-0.2 -5,-0.1 -9,-0.2 -0.873 79.5 -98.2-146.6 173.3 66.7 68.7 37.4 245 271 A T - 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