==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-AUG-10 3OKS . COMPND 2 MOLECULE: 4-AMINOBUTYRATE TRANSAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1783 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1234 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 576 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.5 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 13 2 4 0 0 0 0 7 1 12 0 4 11 1 0 0 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 8 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 0 PARALLEL BRIDGES PER LADDER . 12 0 8 12 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 3 A S 0 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.5 25.8 81.1 20.6 2 4 A H - 0 0 70 1,-0.2 43,-0.1 41,-0.1 3,-0.1 -0.295 360.0 -84.7 -78.9 165.4 25.9 82.2 17.0 3 5 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 45,-0.1 -0.217 62.0 -77.2 -62.1 160.8 28.2 80.9 14.3 4 6 A E - 0 0 127 1,-0.1 2,-1.8 -3,-0.1 41,-0.1 -0.373 45.7-121.6 -61.2 138.7 31.7 82.4 14.0 5 7 A Q S S+ 0 0 79 -3,-0.1 2,-0.3 43,-0.1 -1,-0.1 -0.362 78.9 91.9 -89.4 59.2 31.5 85.7 12.3 6 8 A S S S- 0 0 31 -2,-1.8 2,-0.2 51,-0.0 -2,-0.1 -0.989 79.1-109.1-146.2 144.9 33.8 84.9 9.4 7 9 A R - 0 0 69 -2,-0.3 2,-0.3 48,-0.1 50,-0.2 -0.499 41.2-177.5 -68.8 141.3 33.2 83.5 5.9 8 10 A H B -A 56 0A 78 48,-2.4 48,-2.5 -2,-0.2 2,-0.8 -0.960 24.2-160.5-151.4 123.5 34.6 80.0 5.6 9 11 A L + 0 0 83 -2,-0.3 46,-0.1 46,-0.2 3,-0.0 -0.839 22.9 160.8-104.5 91.1 34.7 77.6 2.6 10 12 A A S S+ 0 0 52 -2,-0.8 2,-0.2 2,-0.1 -1,-0.2 0.841 71.7 4.7 -71.3 -37.2 35.2 74.1 4.1 11 13 A T S S- 0 0 43 -3,-0.2 4,-0.1 1,-0.1 2,-0.1 -0.772 94.2 -74.0-133.9 175.2 34.0 72.4 0.9 12 14 A A - 0 0 80 -2,-0.2 -1,-0.1 2,-0.2 43,-0.1 -0.373 70.0 -83.8 -60.2 159.3 32.9 73.2 -2.6 13 15 A I S S+ 0 0 26 390,-0.2 26,-0.1 1,-0.2 2,-0.1 -0.969 124.6 35.0-116.8 115.9 29.5 74.7 -2.7 14 16 A P S S- 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.537 93.9-160.8 -70.8 148.2 27.4 72.6 -2.7 15 17 A G > - 0 0 3 23,-0.2 4,-2.5 -4,-0.1 5,-0.2 -0.350 35.4 -92.4 -85.4 175.9 29.2 70.3 -0.4 16 18 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.861 123.6 48.9 -65.2 -37.1 28.3 66.6 -0.1 17 19 A R H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.906 112.6 49.4 -71.3 -37.2 25.9 66.8 2.8 18 20 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 110.4 51.4 -61.6 -43.8 24.0 69.7 1.0 19 21 A Q H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.895 106.6 53.8 -62.1 -39.2 23.9 67.7 -2.2 20 22 A A H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.6 45.5 -58.9 -40.1 22.4 64.7 -0.3 21 23 A L H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.852 108.0 56.5 -73.5 -35.2 19.7 67.0 1.0 22 24 A I H X S+ 0 0 50 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 108.1 49.2 -58.1 -41.3 19.2 68.5 -2.4 23 25 A D H X S+ 0 0 94 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.917 111.8 47.7 -68.0 -41.1 18.5 64.9 -3.6 24 26 A R H >X S+ 0 0 74 -4,-2.0 4,-0.9 1,-0.2 3,-0.6 0.892 110.2 53.0 -59.1 -44.4 16.0 64.3 -0.8 25 27 A K H >X S+ 0 0 26 -4,-2.8 4,-3.0 1,-0.2 3,-0.9 0.918 104.5 56.4 -57.7 -46.3 14.3 67.6 -1.5 26 28 A G H 3< S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.716 113.1 39.2 -61.2 -26.5 13.9 66.5 -5.2 27 29 A T H << S+ 0 0 92 -4,-0.9 -1,-0.2 -3,-0.6 536,-0.2 0.501 126.6 33.1-102.9 -3.7 12.1 63.3 -4.3 28 30 A A H << S+ 0 0 3 -4,-0.9 537,-2.2 -3,-0.9 2,-0.4 0.664 107.1 63.1-118.3 -26.2 9.9 64.7 -1.4 29 31 A V B < S-e 565 0B 2 -4,-3.0 537,-0.2 535,-0.3 -1,-0.1 -0.869 86.7-105.5-115.0 135.2 9.1 68.4 -2.2 30 32 A A > - 0 0 0 535,-2.4 3,-1.9 -2,-0.4 725,-0.1 -0.259 28.4-125.1 -55.1 140.8 7.1 69.7 -5.1 31 33 A R T 3 S+ 0 0 105 1,-0.3 729,-0.5 -5,-0.1 -1,-0.1 0.756 104.2 75.6 -63.3 -23.3 9.3 71.3 -7.7 32 34 A G T 3 S+ 0 0 0 722,-0.4 730,-2.0 727,-0.2 2,-1.3 0.724 76.2 81.4 -58.1 -26.3 7.3 74.5 -7.5 33 35 A V B < S-l 762 0C 2 -3,-1.9 730,-0.1 728,-0.2 -1,-0.1 -0.736 77.8-164.4 -81.7 96.2 9.0 75.2 -4.2 34 36 A G - 0 0 5 -2,-1.3 2,-0.4 728,-0.5 -2,-0.1 -0.408 8.0-150.0 -82.5 154.4 12.2 76.7 -5.8 35 37 A T - 0 0 56 1,-0.1 505,-0.2 -2,-0.1 504,-0.2 -0.997 9.6-163.6-127.0 139.3 15.5 77.2 -3.8 36 38 A T S S+ 0 0 63 503,-1.8 504,-0.2 -2,-0.4 505,-0.2 0.910 74.5 55.2 -80.9 -49.9 18.1 79.9 -4.4 37 39 A M - 0 0 1 503,-3.0 2,-0.1 2,-0.1 -1,-0.1 -0.722 69.1-144.8 -94.5 135.8 21.1 78.6 -2.5 38 40 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.066 75.6 87.5 -87.2 35.1 22.5 75.1 -3.1 39 41 A V S S- 0 0 0 -25,-0.1 2,-0.5 -26,-0.1 -2,-0.1 -0.973 71.4-131.8-130.2 152.3 23.3 74.7 0.6 40 42 A Y - 0 0 2 -2,-0.3 12,-2.1 501,-0.1 503,-0.2 -0.900 26.6-129.1-106.5 127.1 21.4 73.5 3.6 41 43 A A E +B 51 0A 5 501,-2.6 503,-0.5 -2,-0.5 10,-0.3 -0.438 33.0 164.6 -78.9 139.7 21.4 75.6 6.8 42 44 A V E S+ 0 0 49 8,-3.1 2,-0.3 1,-0.5 9,-0.2 0.657 70.7 3.0-117.9 -33.9 22.2 74.4 10.3 43 45 A R E -B 50 0A 60 7,-1.6 7,-3.2 2,-0.0 -1,-0.5 -0.980 62.7-179.6-150.8 152.4 22.8 77.5 12.3 44 46 A A E +B 49 0A 0 488,-2.8 2,-0.2 -2,-0.3 5,-0.2 -0.996 15.1 127.1-154.0 154.5 22.7 81.3 11.7 45 47 A G E > +B 48 0A 1 3,-2.2 3,-2.2 -2,-0.3 2,-0.5 -0.839 58.9 19.4 167.5 163.7 23.2 84.6 13.4 46 48 A G T 3 S- 0 0 12 25,-0.4 379,-0.3 1,-0.3 25,-0.3 -0.550 130.1 -31.8 63.7-115.4 25.0 87.9 13.1 47 49 A G T 3 S+ 0 0 0 -2,-0.5 12,-2.9 378,-0.1 2,-0.3 0.137 120.3 89.1-116.8 20.7 25.9 88.2 9.5 48 50 A I E < -BC 45 58A 1 -3,-2.2 -3,-2.2 10,-0.2 2,-0.4 -0.880 49.5-164.4-128.2 144.4 26.4 84.4 8.8 49 51 A V E -BC 44 57A 1 8,-2.2 8,-3.2 -2,-0.3 2,-0.4 -1.000 21.2-153.3-118.1 128.1 24.5 81.3 7.8 50 52 A E E -BC 43 56A 47 -7,-3.2 -8,-3.1 -2,-0.4 -7,-1.6 -0.881 13.0-147.6-101.7 130.7 26.4 78.0 8.6 51 53 A D E > -B 41 0A 2 4,-2.6 3,-1.9 -2,-0.4 -10,-0.2 -0.373 29.8 -97.9 -98.6 173.1 25.6 75.0 6.4 52 54 A V T 3 S+ 0 0 19 -12,-2.1 -11,-0.1 1,-0.3 -1,-0.1 0.649 122.8 53.6 -63.2 -18.2 25.6 71.2 6.9 53 55 A D T 3 S- 0 0 24 -13,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.362 122.3-102.6 -96.2 2.1 29.1 70.9 5.4 54 56 A G S < S+ 0 0 24 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.491 73.4 142.7 88.6 4.6 30.6 73.5 7.8 55 57 A N - 0 0 0 -46,-0.1 -4,-2.6 -43,-0.1 2,-0.5 -0.513 40.8-147.8 -70.9 146.9 30.7 76.4 5.3 56 58 A R E -AC 8 50A 37 -48,-2.5 -48,-2.4 -6,-0.2 2,-0.4 -0.991 16.5-164.5-118.7 118.7 29.9 79.8 6.7 57 59 A L E - C 0 49A 0 -8,-3.2 -8,-2.2 -2,-0.5 2,-0.4 -0.810 23.4-115.1-108.1 141.1 28.2 82.1 4.2 58 60 A I E -dC 406 48A 0 347,-2.3 349,-3.3 -2,-0.4 2,-1.0 -0.626 30.8-135.3 -74.8 126.7 27.8 85.9 4.4 59 61 A D E +d 407 0A 9 -12,-2.9 349,-0.1 -2,-0.4 367,-0.1 -0.729 42.3 152.8 -93.6 98.0 24.1 86.7 4.7 60 62 A L S S+ 0 0 1 347,-1.8 361,-3.2 -2,-1.0 349,-0.3 0.139 72.7 57.0-101.7 17.2 23.1 89.6 2.4 61 63 A G S >> S- 0 0 0 359,-0.2 4,-2.0 347,-0.1 3,-1.2 0.659 76.1-154.2-115.2 -26.5 19.5 88.3 2.1 62 64 A S H 3>>S- 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-2.1 0.759 74.8 -63.7 41.6 35.5 18.1 88.1 5.7 63 65 A G H 345S- 0 0 3 473,-0.2 -1,-0.2 3,-0.2 476,-0.1 0.877 108.5 -40.3 68.6 36.0 15.7 85.4 4.4 64 66 A I H <45S- 0 0 12 -3,-1.2 -2,-0.2 357,-0.1 -1,-0.2 0.955 118.0 -45.5 63.5 61.9 14.0 88.0 2.1 65 67 A A H <5S+ 0 0 2 -4,-2.0 226,-0.5 356,-0.3 3,-0.2 0.732 115.1 109.8 65.4 30.0 14.1 90.9 4.6 66 68 A V T <5 + 0 0 0 -4,-2.4 2,-1.3 -5,-0.2 3,-0.4 0.863 65.3 54.7-102.1 -50.4 12.8 88.9 7.6 67 69 A T > < + 0 0 1 -5,-2.1 3,-2.0 1,-0.2 -1,-0.1 -0.243 62.4 145.3 -88.3 52.6 15.7 88.5 10.0 68 70 A T T 3 S+ 0 0 2 -2,-1.3 356,-2.6 1,-0.3 357,-0.4 0.878 75.9 46.1 -53.9 -43.0 16.3 92.3 10.2 69 71 A V T 3 S- 0 0 8 -3,-0.4 -1,-0.3 1,-0.2 -23,-0.1 0.438 130.2 -92.4 -79.9 0.3 17.3 92.0 13.9 70 72 A G X - 0 0 2 -3,-2.0 3,-0.8 3,-0.1 -1,-0.2 0.010 48.2 -67.8 100.9 150.7 19.5 89.0 13.0 71 73 A N T 3 S+ 0 0 3 -25,-0.3 -25,-0.4 1,-0.3 224,-0.1 -0.504 120.2 6.0 -66.0 140.2 18.7 85.3 13.0 72 74 A S T 3 S- 0 0 2 222,-0.4 -1,-0.3 -2,-0.2 223,-0.1 0.912 86.8-162.9 50.3 49.6 18.2 83.8 16.4 73 75 A A X> - 0 0 2 -3,-0.8 4,-2.8 221,-0.3 3,-0.6 -0.405 25.2-118.4 -64.0 137.6 18.3 87.3 18.0 74 76 A P H 3> S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 111.8 47.1 -52.1 -42.1 18.9 86.8 21.8 75 77 A K H 3> S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.871 113.7 48.4 -67.3 -35.4 15.6 88.5 22.9 76 78 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.926 110.6 51.0 -69.8 -45.9 13.6 86.5 20.3 77 79 A V H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.941 113.0 45.4 -54.6 -48.7 15.3 83.2 21.4 78 80 A E H X S+ 0 0 123 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.904 112.3 51.0 -64.4 -43.0 14.5 83.9 25.0 79 81 A A H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 112.7 45.8 -62.6 -43.0 10.9 85.0 24.3 80 82 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.948 112.8 50.1 -64.1 -47.2 10.2 81.8 22.2 81 83 A R H X S+ 0 0 94 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.865 115.0 44.2 -61.9 -37.7 11.8 79.5 24.8 82 84 A S H >< S+ 0 0 64 -4,-2.3 3,-0.5 -5,-0.2 4,-0.5 0.944 116.0 44.6 -70.0 -49.1 9.7 81.1 27.6 83 85 A Q H >X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 3,-1.7 0.867 103.3 62.3 -68.6 -36.6 6.4 81.2 25.8 84 86 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.832 102.0 54.6 -63.0 -28.5 6.5 77.7 24.3 85 87 A G T << S+ 0 0 11 -4,-0.7 362,-0.3 -3,-0.5 -1,-0.3 0.640 111.3 44.8 -73.6 -17.7 6.6 76.3 27.9 86 88 A D T <4 S- 0 0 65 -3,-1.7 404,-2.5 -4,-0.5 2,-0.3 0.890 131.8 -32.1 -91.3 -57.7 3.4 78.2 28.8 87 89 A F < - 0 0 5 -4,-2.2 -1,-0.3 402,-0.2 3,-0.1 -0.910 38.0-156.9-160.9 145.6 1.2 77.5 25.8 88 90 A T S S- 0 0 0 1,-0.3 237,-0.5 -2,-0.3 2,-0.3 0.773 81.1 -11.9 -88.3 -28.7 1.7 77.0 22.1 89 91 A H + 0 0 0 234,-0.1 -1,-0.3 235,-0.1 424,-0.1 -0.883 43.0 165.4-173.9 130.5 -1.8 78.1 20.9 90 92 A T > - 0 0 4 -2,-0.3 5,-0.8 -3,-0.1 419,-0.2 0.442 60.0-111.6-118.3 -9.4 -5.2 78.8 22.4 91 93 A C T >>5 - 0 0 0 3,-0.2 3,-1.8 229,-0.1 4,-1.7 0.798 18.0-128.7 65.7 111.8 -6.6 80.5 19.2 92 94 A F T 345S+ 0 0 3 229,-0.4 390,-0.2 227,-0.3 227,-0.1 0.887 109.1 58.7 -57.0 -36.7 -7.1 84.2 20.1 93 95 A M T 345S+ 0 0 28 225,-0.3 389,-1.7 226,-0.2 -1,-0.3 0.670 116.7 33.7 -66.9 -16.0 -10.7 84.0 18.8 94 96 A V T <45S+ 0 0 4 -3,-1.8 389,-3.1 1,-0.3 388,-0.3 0.839 138.6 4.9 -97.9 -71.8 -11.4 81.2 21.4 95 97 A T S <> - 0 0 4 389,-0.3 4,-1.2 1,-0.1 3,-0.7 -0.982 29.5-113.8-152.2 153.8 -4.1 86.3 25.6 98 100 A E H 3> S+ 0 0 94 389,-0.5 4,-3.2 -2,-0.3 5,-0.2 0.827 106.2 68.6 -59.3 -37.6 -2.1 89.5 26.5 99 101 A G H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 100.8 46.9 -52.6 -40.3 0.6 88.9 23.8 100 102 A Y H <> S+ 0 0 4 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.927 114.5 46.8 -67.0 -50.4 -1.8 89.6 21.0 101 103 A V H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.934 112.1 51.0 -58.4 -45.0 -3.2 92.7 22.6 102 104 A A H X S+ 0 0 15 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.905 109.1 49.9 -62.5 -43.3 0.3 94.0 23.4 103 105 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.936 111.6 49.2 -61.8 -41.8 1.5 93.5 19.9 104 106 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 110.1 51.3 -61.6 -44.4 -1.6 95.4 18.6 105 107 A E H X S+ 0 0 53 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.895 111.4 48.0 -57.0 -42.1 -0.9 98.2 21.1 106 108 A Q H X S+ 0 0 52 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.906 111.1 49.4 -67.6 -42.4 2.7 98.4 19.9 107 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 110.4 51.7 -60.4 -42.6 1.7 98.5 16.2 108 110 A N H < S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.7 43.1 -62.9 -39.6 -0.8 101.2 17.1 109 111 A R H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.876 119.6 40.7 -70.6 -40.1 2.0 103.3 18.8 110 112 A L H < S+ 0 0 22 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.689 91.9 95.4 -88.3 -24.1 4.7 102.7 16.2 111 113 A T S < S- 0 0 9 -4,-2.0 192,-0.0 -5,-0.2 163,-0.0 -0.276 75.4-123.0 -78.4 159.3 3.0 103.0 12.8 112 114 A P S S+ 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.472 76.5 113.2 -83.1 -1.1 2.7 106.2 10.7 113 115 A V - 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0 0 28 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.917 54.4-148.6-118.1 148.7 -17.0 99.8 -2.8 143 145 A P + 0 0 47 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 0.802 58.4 87.0 -86.3 -39.9 -15.6 96.9 -4.9 144 146 A A E -o 222 0D 0 77,-2.8 79,-2.9 73,-0.1 80,-1.3 -0.366 44.3-171.8 -83.3 152.2 -12.5 97.9 -6.7 145 147 A V E -op 224 180D 0 34,-2.2 36,-2.4 78,-0.2 2,-0.4 -0.998 10.4-153.1-131.5 137.0 -8.8 97.8 -5.7 146 148 A V E +op 225 181D 1 78,-2.2 80,-2.6 -2,-0.4 2,-0.2 -0.934 14.5 176.0-113.1 136.1 -6.0 99.3 -7.7 147 149 A A E - p 0 182D 0 34,-2.5 36,-2.3 -2,-0.4 2,-0.2 -0.722 25.9-107.3-125.9 174.2 -2.3 98.1 -7.5 148 150 A F E > - p 0 183D 1 78,-0.3 3,-1.7 -2,-0.2 16,-0.2 -0.647 28.8 -87.8-112.9 162.1 0.7 99.3 -9.5 149 151 A D T 3 S+ 0 0 65 34,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.302 116.5 20.6 -52.8 145.5 3.0 98.2 -12.2 150 152 A H T 3 S+ 0 0 13 1,-0.2 84,-0.3 83,-0.0 -1,-0.2 0.528 95.5 146.8 66.4 9.4 6.0 96.3 -10.7 151 153 A A < - 0 0 5 -3,-1.7 13,-2.5 11,-0.1 14,-0.6 -0.402 31.2-168.6 -79.0 151.4 3.9 95.5 -7.6 152 154 A Y + 0 0 9 11,-0.2 80,-0.2 12,-0.1 81,-0.1 -0.981 20.5 154.3-138.8 126.0 4.2 92.4 -5.5 153 155 A H - 0 0 0 6,-0.5 2,-0.2 1,-0.4 -24,-0.2 0.446 56.1 -75.9-132.9 -5.9 1.6 91.5 -2.8 154 156 A G - 0 0 0 5,-0.3 -1,-0.4 1,-0.1 9,-0.2 -0.808 38.6 -77.5 137.5-173.3 1.7 87.7 -2.4 155 157 A R S S+ 0 0 18 -2,-0.2 2,-0.1 608,-0.1 608,-0.1 0.239 80.7 101.5-117.5 9.2 0.7 84.3 -3.6 156 158 A T S > S- 0 0 3 1,-0.1 4,-3.3 424,-0.0 5,-0.3 -0.450 90.0 -96.4 -81.8 170.1 -3.0 83.8 -2.7 157 159 A N H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 20,-0.3 0.933 124.8 39.0 -58.0 -46.4 -5.5 84.2 -5.5 158 160 A L H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 117.4 48.0 -73.6 -38.6 -6.3 87.8 -4.6 159 161 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -6,-0.5 0.851 109.9 53.6 -73.5 -29.7 -2.7 88.8 -3.8 160 162 A M H < S+ 0 0 1 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.912 107.2 52.7 -59.5 -43.8 -1.6 87.2 -7.1 161 163 A A H < S+ 0 0 6 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.931 109.9 47.6 -56.9 -42.6 -4.2 89.4 -8.8 162 164 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.758 97.0 88.7 -67.7 -30.3 -2.6 92.4 -7.1 163 165 A T < - 0 0 0 -4,-1.5 -11,-0.2 -9,-0.2 -14,-0.1 -0.493 67.7-152.9 -72.7 138.6 0.8 91.3 -8.1 164 166 A A + 0 0 26 -13,-2.5 2,-0.3 -2,-0.2 -1,-0.1 0.905 68.5 74.6 -83.7 -42.0 1.9 92.5 -11.6 165 167 A K - 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