==== 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 LYASE 09-DEC-03 1V72 . COMPND 2 MOLECULE: ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.OMI . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 1 0 1 1 2 3 0 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 1 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 . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A R 0 0 194 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.4 74.7 85.6 72.3 2 7 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 331,-0.1 -0.373 360.0 -85.4 -71.6 159.9 71.6 85.8 74.5 3 8 A P - 0 0 54 0, 0.0 2,-0.7 0, 0.0 330,-0.1 -0.412 40.4-117.3 -66.7 138.4 70.8 82.6 76.4 4 9 A A - 0 0 47 1,-0.1 332,-0.1 -2,-0.1 326,-0.0 -0.672 25.3-166.6 -78.6 115.2 68.7 80.0 74.5 5 10 A L + 0 0 57 -2,-0.7 305,-2.9 303,-0.1 2,-0.5 0.477 53.7 102.0 -83.5 -2.4 65.4 79.7 76.4 6 11 A G B +a 310 0A 33 303,-0.2 305,-0.1 1,-0.1 303,-0.1 -0.733 23.7 148.1 -91.7 124.6 64.2 76.5 74.7 7 12 A F + 0 0 3 303,-3.0 317,-2.4 -2,-0.5 305,-0.3 0.065 39.8 111.0-133.9 19.9 64.5 73.1 76.5 8 13 A S S S- 0 0 24 1,-0.2 2,-0.3 303,-0.2 304,-0.2 0.920 92.6 -31.3 -62.5 -45.3 61.4 71.4 75.1 9 14 A S > - 0 0 9 315,-0.2 3,-0.9 301,-0.1 -1,-0.2 -0.970 54.6-106.9-165.3 166.1 63.4 68.9 73.0 10 15 A D G > S+ 0 0 3 -2,-0.3 3,-1.2 1,-0.2 317,-0.1 0.594 106.5 81.3 -78.9 -7.6 66.7 68.6 71.2 11 16 A N G 3 S+ 0 0 108 1,-0.2 -1,-0.2 197,-0.1 197,-0.0 0.486 79.6 65.7 -76.9 0.4 64.7 68.8 68.0 12 17 A I G < S+ 0 0 89 -3,-0.9 -1,-0.2 195,-0.1 -2,-0.1 0.613 83.9 95.2 -93.7 -14.0 64.5 72.6 68.2 13 18 A A < - 0 0 33 -3,-1.2 196,-0.1 -4,-0.1 -3,-0.0 -0.301 68.6-134.4 -75.4 160.8 68.3 73.0 67.7 14 19 A G - 0 0 51 1,-0.1 2,-0.3 -2,-0.0 195,-0.2 0.544 37.0 -71.7 -85.5-127.4 69.9 73.7 64.4 15 20 A A - 0 0 29 193,-0.1 195,-0.2 313,-0.0 -1,-0.1 -0.993 44.0 -94.6-139.9 146.6 73.0 72.0 62.9 16 21 A S >> - 0 0 3 193,-2.1 3,-1.9 -2,-0.3 4,-1.2 -0.297 41.1-118.5 -55.1 139.5 76.7 72.0 63.7 17 22 A P H 3> S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.787 112.9 64.0 -53.1 -29.5 78.3 74.6 61.3 18 23 A E H 3> S+ 0 0 85 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.803 99.2 53.9 -66.4 -28.6 80.4 71.8 59.8 19 24 A V H X> S+ 0 0 0 -3,-1.9 4,-1.6 190,-0.2 3,-0.6 0.978 108.8 44.7 -71.0 -53.9 77.3 70.1 58.5 20 25 A A H 3X S+ 0 0 45 -4,-1.2 4,-1.6 1,-0.3 -2,-0.2 0.882 113.3 52.8 -56.8 -38.5 75.9 73.1 56.6 21 26 A Q H 3X S+ 0 0 121 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.807 103.1 57.3 -69.0 -28.8 79.3 73.8 55.2 22 27 A A H < S+ 0 0 93 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.950 110.2 48.6 -61.9 -50.3 77.9 74.0 50.5 25 30 A K H >< S+ 0 0 151 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.862 115.8 44.0 -57.8 -39.2 81.0 72.0 49.5 26 31 A H T 3< S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.258 88.2 89.1 -94.2 13.8 79.0 69.3 47.9 27 32 A S T < S+ 0 0 72 -3,-1.5 -1,-0.2 -4,-0.2 2,-0.2 0.567 78.4 72.8 -85.5 -8.7 76.4 71.5 46.1 28 33 A S S < S+ 0 0 88 -3,-0.5 0, 0.0 -4,-0.3 0, 0.0 -0.580 81.8 20.9-104.1 167.2 78.5 71.8 42.9 29 34 A G S S- 0 0 62 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 -0.121 88.7 -67.5 73.1-174.6 79.3 69.4 40.1 30 35 A Q - 0 0 194 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.771 44.3-176.9-113.7 159.2 77.3 66.3 39.2 31 36 A A - 0 0 44 -2,-0.3 6,-0.1 6,-0.1 5,-0.1 -0.968 36.4 -96.8-157.9 139.5 76.8 63.0 41.0 32 37 A G - 0 0 34 -2,-0.3 3,-0.3 4,-0.2 5,-0.3 -0.253 51.2-123.1 -52.9 142.7 75.1 59.7 40.4 33 38 A P S > S+ 0 0 66 0, 0.0 3,-1.5 0, 0.0 207,-0.2 -0.236 78.9 34.2 -86.3 176.7 71.7 59.7 42.0 34 39 A Y T 3 S- 0 0 108 205,-2.3 205,-0.1 1,-0.3 206,-0.1 0.758 134.0 -50.2 51.1 36.7 70.0 57.5 44.6 35 40 A G T 3 S+ 0 0 15 204,-0.4 -1,-0.3 -3,-0.3 -3,-0.1 0.619 106.9 119.2 82.5 14.4 73.2 56.7 46.6 36 41 A T < + 0 0 103 -3,-1.5 -4,-0.2 -4,-0.1 2,-0.2 0.232 51.6 100.7 -95.6 15.2 75.3 55.7 43.6 37 42 A D S > S- 0 0 17 -5,-0.3 4,-1.6 -6,-0.1 5,-0.1 -0.498 82.6-111.5 -95.9 167.9 77.8 58.6 44.3 38 43 A E H > S+ 0 0 172 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 111.6 57.3 -67.1 -41.0 81.2 58.5 46.0 39 44 A L H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.946 108.0 48.7 -56.9 -47.7 80.4 60.5 49.1 40 45 A T H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 111.0 50.2 -57.9 -44.4 77.6 58.0 49.9 41 46 A A H X S+ 0 0 33 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.917 109.5 52.4 -60.8 -42.1 80.1 55.1 49.4 42 47 A Q H X S+ 0 0 77 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.936 108.3 50.1 -58.4 -48.1 82.5 56.9 51.7 43 48 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.907 108.1 52.6 -58.7 -43.5 79.9 57.2 54.4 44 49 A K H X S+ 0 0 82 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.903 107.8 51.6 -60.3 -40.2 79.0 53.5 54.2 45 50 A R H X S+ 0 0 144 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.878 107.2 54.8 -64.0 -35.6 82.7 52.6 54.6 46 51 A K H X S+ 0 0 34 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.872 104.6 52.4 -66.1 -36.4 82.7 54.9 57.7 47 52 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.885 108.1 51.6 -66.8 -36.7 79.8 53.0 59.2 48 53 A C H X>S+ 0 0 33 -4,-1.7 5,-1.8 2,-0.2 4,-0.5 0.913 113.2 44.8 -64.8 -42.4 81.7 49.7 58.7 49 54 A E H ><5S+ 0 0 141 -4,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.978 114.1 48.7 -63.6 -56.2 84.8 51.1 60.4 50 55 A I H 3<5S+ 0 0 37 -4,-2.9 140,-0.4 1,-0.3 -2,-0.2 0.855 119.3 38.3 -52.8 -41.0 82.7 52.7 63.3 51 56 A F H 3<5S- 0 0 0 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.401 102.6-131.0 -94.1 3.7 80.8 49.4 63.9 52 57 A E T <<5S+ 0 0 117 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.854 77.4 79.0 50.1 41.6 83.8 47.2 63.3 53 58 A R S - 0 0 63 150,-0.1 4,-1.9 1,-0.1 152,-0.1 -0.893 65.1-123.9-135.2 164.6 63.4 60.9 59.4 63 68 A G H > S+ 0 0 20 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.808 112.9 58.2 -72.6 -31.2 63.6 58.7 62.5 64 69 A T H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 108.2 46.2 -64.8 -42.3 60.0 57.7 62.1 65 70 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.915 110.8 52.5 -65.6 -43.2 60.8 56.4 58.7 66 71 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.921 113.3 44.7 -57.9 -45.6 64.0 54.6 60.0 67 72 A N H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.966 114.8 45.7 -62.7 -57.5 61.9 52.9 62.7 68 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.882 113.9 49.5 -56.2 -43.4 59.0 51.8 60.5 69 74 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.929 111.7 48.3 -63.2 -46.6 61.3 50.6 57.7 70 75 A C H >< S+ 0 0 1 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.946 115.5 44.0 -57.2 -52.2 63.4 48.5 60.1 71 76 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.834 106.4 60.4 -64.7 -35.4 60.3 47.0 61.8 72 77 A S H 3< S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.786 105.6 49.1 -65.0 -26.9 58.5 46.3 58.5 73 78 A A T << S+ 0 0 10 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.492 111.1 51.1 -89.8 -2.7 61.4 44.1 57.4 74 79 A M S < S+ 0 0 23 -3,-1.3 96,-0.4 -4,-0.3 -2,-0.2 0.315 108.7 46.4-116.2 7.0 61.4 42.1 60.7 75 80 A T - 0 0 9 -4,-0.4 -1,-0.1 -3,-0.4 29,-0.1 -0.994 69.2-131.9-151.4 141.0 57.7 41.2 61.0 76 81 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 60,-0.1 -0.406 43.6 -98.5 -82.0 169.6 55.0 39.8 58.8 77 82 A P T 3 S+ 0 0 56 0, 0.0 24,-0.1 0, 0.0 28,-0.0 0.832 127.5 50.6 -56.2 -32.8 51.6 41.5 58.7 78 83 A W T 3 S+ 0 0 172 26,-0.1 58,-2.5 57,-0.1 2,-0.1 0.198 97.5 104.0 -91.3 15.9 50.3 38.9 61.2 79 84 A G E < -c 136 0B 0 -3,-2.2 26,-2.5 56,-0.2 2,-0.4 -0.470 65.9-122.5 -98.2 169.4 53.2 39.5 63.6 80 85 A N E -cd 137 105B 3 56,-2.8 59,-2.1 24,-0.2 58,-1.6 -0.897 8.4-156.4-113.2 139.8 53.8 41.4 66.9 81 86 A I E -cd 139 106B 0 24,-2.5 26,-2.2 -2,-0.4 2,-0.3 -0.942 18.7-149.2-114.7 105.8 56.3 44.2 67.6 82 87 A Y E +cd 140 107B 0 57,-2.6 59,-3.0 -2,-0.6 2,-0.3 -0.604 32.4 144.5 -80.3 135.3 57.0 44.2 71.3 83 88 A C E - d 0 108B 0 24,-1.9 26,-2.2 -2,-0.3 59,-0.1 -0.980 53.0 -80.9-161.1 165.5 57.9 47.6 72.8 84 89 A H > - 0 0 12 57,-0.4 3,-2.2 -2,-0.3 6,-0.3 -0.495 40.2-124.1 -72.8 142.4 57.5 49.8 75.9 85 90 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.738 113.1 52.3 -60.5 -20.6 54.1 51.5 76.1 86 91 A A T 3 S+ 0 0 44 5,-0.0 5,-0.1 3,-0.0 -2,-0.1 0.332 85.9 124.9 -96.1 7.8 55.9 54.9 76.3 87 92 A S S <> S- 0 0 2 -3,-2.2 4,-0.7 1,-0.1 3,-0.4 -0.237 70.9-121.1 -68.3 156.3 58.0 54.2 73.2 88 93 A H H >> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 3,-1.2 0.913 112.1 56.7 -64.1 -41.7 58.0 56.6 70.2 89 94 A I H 34 S+ 0 0 3 1,-0.3 6,-0.2 2,-0.2 -1,-0.2 0.795 110.6 45.2 -61.4 -26.9 56.7 53.9 67.8 90 95 A N H 34 S+ 0 0 59 -3,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 0.546 129.6 19.9 -92.5 -7.2 53.7 53.3 70.1 91 96 A N H << S+ 0 0 87 -3,-1.2 3,-0.3 -4,-0.7 -3,-0.2 0.742 121.9 33.4-128.5 -44.3 52.9 57.1 70.6 92 97 A D S < S+ 0 0 107 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 -0.009 94.8 73.4-117.4 33.8 54.3 59.6 68.2 93 98 A E S > S- 0 0 13 -5,-0.3 3,-1.2 -4,-0.2 -1,-0.2 0.206 94.0-121.9-124.8 14.2 54.5 58.1 64.7 94 99 A C T 3 S- 0 0 136 -3,-0.3 -2,-0.1 1,-0.3 -5,-0.1 0.846 78.6 -51.1 44.9 39.1 50.7 58.2 64.0 95 100 A G T 3> S+ 0 0 27 -6,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.783 89.2 152.2 75.0 27.5 51.0 54.5 63.5 96 101 A A H <> S+ 0 0 10 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.895 74.4 52.8 -56.2 -41.9 53.9 54.5 61.0 97 102 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 7,-0.3 0.943 109.7 48.5 -60.2 -43.8 55.0 51.0 62.1 98 103 A E H 4>S+ 0 0 66 2,-0.2 5,-3.2 1,-0.2 6,-0.3 0.869 114.5 48.3 -60.8 -37.3 51.5 49.7 61.5 99 104 A F H ><5S+ 0 0 155 -4,-2.2 3,-1.7 3,-0.2 -1,-0.2 0.989 114.6 40.3 -67.1 -63.8 51.5 51.4 58.1 100 105 A F H 3<5S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.816 115.4 51.6 -56.3 -37.4 54.9 50.2 56.8 101 106 A S T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.3 -22,-0.2 0.415 112.9-118.4 -81.9 -0.2 54.5 46.6 58.2 102 107 A N T < 5S- 0 0 107 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.910 82.5 -27.4 62.9 44.5 51.1 46.4 56.5 103 108 A G S - 0 0 10 5,-0.2 3,-0.7 9,-0.1 4,-0.3 -0.787 49.1 -75.6 167.3 150.8 58.7 48.6 82.9 112 117 A P G > S+ 0 0 111 0, 0.0 3,-1.2 0, 0.0 0, 0.0 -0.246 108.2 16.1 -65.6 154.1 60.2 51.5 84.9 113 118 A A G 3 S- 0 0 57 1,-0.2 35,-0.2 34,-0.0 37,-0.2 0.815 128.7 -66.1 55.3 38.3 62.1 54.4 83.2 114 119 A A G < S+ 0 0 7 -3,-0.7 2,-0.5 1,-0.2 29,-0.3 0.791 103.5 129.0 58.5 29.1 60.8 53.5 79.7 115 120 A K < - 0 0 36 -3,-1.2 -1,-0.2 -4,-0.3 2,-0.1 -0.970 64.9-114.2-119.1 129.6 62.7 50.2 79.7 116 121 A L - 0 0 12 -2,-0.5 2,-0.6 1,-0.1 -5,-0.2 -0.355 31.5-119.3 -58.8 132.3 61.0 46.9 78.9 117 122 A D > - 0 0 64 -7,-1.9 4,-2.7 -8,-0.2 5,-0.2 -0.662 17.5-144.9 -77.1 120.6 60.8 44.6 81.9 118 123 A I H > S+ 0 0 44 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.848 95.9 51.4 -54.7 -38.8 62.8 41.5 80.9 119 124 A V H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 112.6 44.5 -66.9 -45.1 60.5 39.1 82.9 120 125 A R H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.921 111.9 54.0 -64.6 -42.4 57.3 40.5 81.3 121 126 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 105.7 53.2 -57.2 -45.0 59.0 40.4 77.9 122 127 A R H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.3 44.4 -58.8 -37.1 59.8 36.8 78.4 123 128 A E H >< S+ 0 0 76 -4,-1.6 3,-1.1 -3,-0.2 -2,-0.2 0.926 113.5 47.8 -75.1 -46.1 56.2 36.1 79.2 124 129 A R H >< S+ 0 0 41 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.880 103.9 60.1 -64.3 -38.2 54.6 38.1 76.4 125 130 A T T 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.554 104.5 51.9 -70.2 -4.7 56.9 36.7 73.6 126 131 A R T < S+ 0 0 157 -3,-1.1 2,-0.5 -4,-0.2 3,-0.4 -0.037 78.8 128.4-119.3 31.7 55.6 33.2 74.3 127 132 A E S < S- 0 0 61 -3,-1.4 3,-0.2 1,-0.2 4,-0.1 -0.768 86.4 -22.6 -92.9 127.3 51.9 33.9 74.1 128 133 A K S > S- 0 0 130 -2,-0.5 3,-2.2 1,-0.2 -1,-0.2 0.789 79.6-172.9 47.4 36.2 49.8 31.7 71.8 129 134 A V T 3 S+ 0 0 99 -3,-0.4 -1,-0.2 1,-0.3 3,-0.1 -0.432 73.4 9.4 -61.6 125.6 52.8 30.8 69.7 130 135 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.328 90.9 137.0 88.1 -8.9 51.5 28.8 66.8 131 136 A D X - 0 0 54 -3,-2.2 3,-1.5 1,-0.1 -1,-0.3 -0.629 47.7-149.4 -75.5 120.1 47.9 29.6 67.5 132 137 A V T 3 S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.723 93.4 55.8 -62.9 -24.3 46.2 30.4 64.1 133 138 A H T 3 S+ 0 0 168 2,-0.1 2,-0.4 -5,-0.0 -1,-0.3 0.513 101.4 72.7 -86.4 -3.3 43.6 32.8 65.7 134 139 A T S < S- 0 0 47 -3,-1.5 -4,-0.1 -6,-0.2 -56,-0.0 -0.904 84.0-113.6-120.9 141.1 46.4 35.0 67.3 135 140 A T - 0 0 42 -2,-0.4 -56,-0.2 1,-0.1 -4,-0.1 -0.337 45.1-123.3 -61.9 149.7 48.9 37.5 66.0 136 141 A Q E -c 79 0B 42 -58,-2.5 -56,-2.8 -7,-0.1 -1,-0.1 -0.764 15.3-101.0-107.7 146.5 52.5 36.1 66.5 137 142 A P E +c 80 0B 22 0, 0.0 -56,-0.1 0, 0.0 3,-0.1 -0.362 52.7 154.4 -57.8 131.7 55.7 37.2 68.3 138 143 A A E - 0 0 13 -58,-1.6 32,-1.9 1,-0.4 2,-0.3 0.652 52.6 -11.2-129.0 -47.0 57.9 38.6 65.5 139 144 A C E -ce 81 170B 0 -59,-2.1 -57,-2.6 30,-0.3 -1,-0.4 -0.978 51.0-132.5-155.8 166.8 60.4 41.2 66.8 140 145 A V E -ce 82 171B 0 30,-3.1 32,-3.4 -2,-0.3 2,-0.4 -0.956 13.7-157.9-127.0 143.3 61.3 43.4 69.7 141 146 A S E - 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0 0 1 -35,-2.4 2,-0.2 -2,-0.4 -315,-0.1 -0.695 6.3-156.2-106.6 161.9 69.5 69.8 76.2 326 331 A S > - 0 0 9 -2,-0.2 3,-1.9 -63,-0.1 -59,-0.1 -0.735 38.9 -88.5-129.4 179.3 71.2 69.6 72.9 327 332 A F T 3 S+ 0 0 20 -120,-0.4 -119,-0.1 1,-0.3 -64,-0.1 0.706 127.5 49.7 -59.3 -23.6 74.7 69.5 71.2 328 333 A A T 3 S+ 0 0 44 2,-0.1 2,-0.6 -314,-0.1 -1,-0.3 0.388 79.0 117.4 -98.2 0.1 74.4 73.3 71.0 329 334 A T < - 0 0 21 -3,-1.9 2,-0.1 4,-0.1 -62,-0.1 -0.598 54.8-152.9 -72.7 116.7 73.4 73.9 74.7 330 335 A T > - 0 0 39 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.412 27.8-113.4 -86.8 165.4 76.2 75.9 76.2 331 336 A A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 121.9 57.1 -63.4 -33.0 77.2 76.0 79.9 332 337 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 101.5 52.8 -62.6 -45.1 75.9 79.5 79.7 333 338 A D H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 112.6 46.2 -57.8 -43.6 72.5 78.5 78.5 334 339 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.875 108.4 54.5 -67.4 -40.2 72.3 76.1 81.5 335 340 A D H X S+ 0 0 60 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.799 105.2 55.2 -67.1 -25.3 73.5 78.7 84.0 336 341 A H H X S+ 0 0 48 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.947 108.9 46.3 -70.8 -47.1 70.8 81.0 82.9 337 342 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.912 112.8 50.2 -60.6 -43.4 68.1 78.4 83.6 338 343 A L H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.931 110.4 49.7 -61.5 -44.6 69.7 77.6 87.0 339 344 A N H X S+ 0 0 71 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.951 111.3 48.4 -59.2 -50.3 69.8 81.3 87.9 340 345 A Q H X S+ 0 0 53 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.838 112.3 49.7 -61.2 -32.2 66.1 81.7 86.9 341 346 A V H < S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.945 113.8 45.5 -69.7 -46.6 65.2 78.7 88.9 342 347 A R H >< S+ 0 0 111 -4,-3.1 3,-2.4 1,-0.2 -2,-0.2 0.980 113.5 47.9 -57.7 -59.7 67.1 79.9 91.9 343 348 A L H 3< S+ 0 0 122 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 113.3 50.3 -54.1 -27.0 65.7 83.5 91.7 344 349 A A T 3< 0 0 27 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.476 360.0 360.0 -92.4 -1.3 62.3 81.9 91.4 345 350 A A < 0 0 75 -3,-2.4 -1,-0.2 -4,-0.5 -2,-0.2 0.719 360.0 360.0 -87.0 360.0 62.6 79.7 94.4