==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-12 4D8L . COMPND 2 MOLECULE: 2-PYRONE-4,6-DICARBAXYLATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.BONANNO,J.M.SAUDER,S.K.BURLEY,S.C. . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 0 1 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 L 0 0 128 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.1 65.5 33.0 -2.3 2 4 A T >> - 0 0 82 1,-0.1 4,-0.7 3,-0.1 3,-0.6 0.077 360.0-111.6 -60.7 160.8 66.6 35.1 0.7 3 5 A N G >4 S+ 0 0 63 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.913 119.0 55.2 -53.3 -46.0 64.5 37.1 3.2 4 6 A D G 34 S+ 0 0 132 1,-0.3 -1,-0.2 46,-0.1 4,-0.1 0.783 104.8 53.0 -60.1 -31.5 66.0 40.3 1.7 5 7 A E G <4 S+ 0 0 128 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.599 97.4 87.9 -80.3 -13.5 64.9 39.3 -1.8 6 8 A R S << S- 0 0 16 -3,-1.3 2,-0.5 -4,-0.7 44,-0.1 -0.344 91.1 -80.9 -89.0 169.1 61.3 38.8 -0.7 7 9 A I B -a 49 0A 61 41,-2.5 43,-2.3 -2,-0.1 2,-0.5 -0.559 32.1-155.1 -80.4 120.1 58.4 41.3 -0.4 8 10 A L + 0 0 36 -2,-0.5 248,-0.1 41,-0.2 43,-0.0 -0.773 19.8 168.2 -85.6 127.2 58.2 43.7 2.6 9 11 A S + 0 0 3 -2,-0.5 2,-0.3 239,-0.2 -1,-0.1 0.334 52.6 68.9-121.3 7.4 54.6 44.8 3.1 10 12 A W S S- 0 0 16 246,-0.1 2,-0.4 237,-0.1 248,-0.1 -0.846 83.3-103.7-126.4 161.3 54.9 46.5 6.5 11 13 A N - 0 0 46 246,-0.6 248,-0.1 -2,-0.3 -2,-0.0 -0.688 24.3-155.3 -80.3 127.6 56.4 49.5 8.2 12 14 A E S S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.3 246,-0.0 0.632 91.5 34.6 -85.4 -12.9 59.5 48.5 10.1 13 15 A T S S- 0 0 119 -3,-0.0 -1,-0.3 2,-0.0 245,-0.0 -0.610 85.6-171.1-134.6 73.7 59.3 51.4 12.5 14 16 A P - 0 0 25 0, 0.0 244,-0.1 0, 0.0 2,-0.0 -0.321 28.3-102.4 -67.3 151.9 55.6 52.0 12.9 15 17 A S - 0 0 54 1,-0.1 -4,-0.0 49,-0.0 3,-0.0 -0.335 35.1-105.4 -64.9 149.5 54.5 55.1 14.8 16 18 A K - 0 0 138 1,-0.1 48,-0.1 244,-0.1 -1,-0.1 -0.633 47.1-107.8 -62.8 131.5 53.3 54.9 18.3 17 19 A P - 0 0 11 0, 0.0 244,-0.1 0, 0.0 -1,-0.1 -0.416 12.6-146.2 -62.8 142.0 49.6 55.2 18.2 18 20 A R S S+ 0 0 227 242,-0.3 2,-0.3 -2,-0.1 243,-0.1 0.783 87.3 76.2 -68.8 -30.9 48.1 58.5 19.5 19 21 A Y S S- 0 0 27 241,-0.3 246,-0.1 -3,-0.0 247,-0.0 -0.652 73.6-151.2 -81.4 133.9 45.2 56.3 20.7 20 22 A T - 0 0 118 -2,-0.3 45,-0.1 244,-0.1 44,-0.0 -0.929 16.1-142.2-105.7 114.6 45.6 54.1 23.8 21 23 A P - 0 0 9 0, 0.0 256,-0.0 0, 0.0 242,-0.0 -0.260 34.1 -83.5 -65.9 156.9 43.5 50.9 23.6 22 24 A P > - 0 0 22 0, 0.0 3,-2.1 0, 0.0 45,-0.2 -0.243 50.5-100.5 -55.4 152.8 41.7 49.5 26.8 23 25 A P T 3 S+ 0 0 130 0, 0.0 42,-0.0 0, 0.0 258,-0.0 0.782 120.5 42.0 -50.9 -33.9 44.1 47.3 28.9 24 26 A G T 3 S+ 0 0 29 43,-0.1 42,-0.1 42,-0.1 44,-0.0 0.129 82.4 153.0-103.8 22.8 42.6 44.0 27.6 25 27 A A < - 0 0 0 -3,-2.1 42,-3.3 40,-0.3 43,-1.7 -0.187 30.7-148.3 -60.4 141.8 42.3 44.9 23.9 26 28 A I E -b 68 0B 0 254,-2.7 2,-1.0 41,-0.2 217,-0.3 -0.944 10.5-147.6-117.2 125.2 42.4 42.2 21.2 27 29 A D E -b 69 0B 1 41,-2.8 43,-2.4 -2,-0.4 217,-0.3 -0.815 21.6-173.7 -87.8 101.2 43.8 42.5 17.6 28 30 A A E + 0 0 0 215,-2.9 216,-0.2 -2,-1.0 2,-0.2 0.242 64.6 47.5 -91.2 13.7 41.4 40.1 15.9 29 31 A H E S+ 0 0 1 214,-0.2 217,-3.1 2,-0.0 218,-0.3 -0.671 72.0 115.0-156.6 91.4 43.0 40.1 12.4 30 32 A C E -b 71 0B 0 40,-1.4 42,-3.3 216,-0.2 2,-0.3 -0.835 37.4-153.0-145.3-179.2 46.7 39.7 12.0 31 33 A H - 0 0 6 216,-1.7 2,-0.4 -2,-0.3 42,-0.1 -0.977 11.8-132.9-152.4 161.7 49.0 37.0 10.5 32 34 A V - 0 0 0 -2,-0.3 2,-0.5 40,-0.3 42,-0.4 -0.939 10.7-154.4-113.4 147.7 52.5 35.5 10.5 33 35 A F B -I 52 0C 2 19,-1.9 19,-2.7 -2,-0.4 3,-0.2 -0.981 44.5 -90.5-114.9 116.1 54.6 34.8 7.4 34 36 A G - 0 0 1 -2,-0.5 2,-0.2 1,-0.3 16,-0.0 -0.410 15.9-122.4 65.6-132.9 57.0 31.9 8.1 35 37 A P >> - 0 0 28 0, 0.0 4,-2.8 0, 0.0 3,-1.2 0.476 42.7-142.8 -54.6 137.6 59.7 32.3 9.1 36 38 A M T 34 S+ 0 0 49 1,-0.3 -2,-0.1 2,-0.2 14,-0.0 0.754 91.7 67.2 -53.1 -33.0 60.3 30.4 5.8 37 39 A A T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.858 117.9 21.7 -60.9 -39.4 63.2 28.4 7.3 38 40 A Q T <4 S+ 0 0 114 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 136.3 34.3 -93.5 -37.9 60.9 26.4 9.6 39 41 A F S < S- 0 0 33 -4,-2.8 -1,-0.2 43,-0.0 -2,-0.1 -0.877 78.8-157.0-125.6 96.2 57.6 27.0 7.8 40 42 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 43,-0.2 -0.268 21.8-107.8 -70.7 161.1 57.8 27.1 4.0 41 43 A F - 0 0 18 1,-0.1 36,-0.3 -8,-0.1 35,-0.1 -0.523 44.2 -84.3 -83.4 152.6 55.2 28.8 1.8 42 44 A S > - 0 0 31 34,-2.1 3,-2.1 -2,-0.2 -1,-0.1 -0.291 34.6-126.3 -49.5 134.0 52.7 26.9 -0.3 43 45 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.785 110.8 61.7 -55.4 -25.1 54.2 25.9 -3.7 44 46 A K T 3 S+ 0 0 192 32,-0.0 2,-0.4 0, 0.0 -2,-0.1 0.508 75.7 118.0 -79.9 -2.4 51.2 27.7 -5.3 45 47 A A < - 0 0 24 -3,-2.1 3,-0.2 31,-0.2 31,-0.1 -0.524 48.4-164.6 -71.6 119.6 52.2 31.0 -3.8 46 48 A K S S+ 0 0 161 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.983 73.3 26.2 -68.7 -60.5 52.9 33.5 -6.5 47 49 A Y S S- 0 0 189 -41,-0.0 -1,-0.2 -40,-0.0 204,-0.1 -0.852 81.3-140.7-122.1 98.5 54.8 36.4 -4.7 48 50 A L - 0 0 40 -2,-0.6 -41,-2.5 -3,-0.2 2,-0.1 -0.253 12.7-143.4 -67.7 132.0 56.7 35.4 -1.6 49 51 A P B -a 7 0A 12 0, 0.0 -41,-0.2 0, 0.0 3,-0.1 -0.473 23.1 -98.9 -90.1 159.7 56.7 37.7 1.5 50 52 A R - 0 0 45 -43,-2.3 2,-0.1 -2,-0.1 -41,-0.1 -0.328 55.7 -80.5 -66.5 158.9 59.5 38.4 4.0 51 53 A D + 0 0 32 1,-0.1 2,-0.2 -19,-0.1 -17,-0.2 -0.398 46.7 173.9 -63.2 133.5 59.5 36.6 7.3 52 54 A A B +I 33 0C 0 -19,-2.7 -19,-1.9 -2,-0.1 -1,-0.1 -0.708 21.9 177.2-139.3 82.1 57.1 38.1 9.8 53 55 A G > - 0 0 7 -21,-0.2 4,-1.7 -2,-0.2 3,-0.4 -0.151 44.4 -86.6 -89.3-177.0 57.3 35.6 12.6 54 56 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.800 121.6 58.0 -64.7 -36.1 55.7 35.5 16.1 55 57 A D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.919 108.8 46.6 -61.4 -43.2 58.4 37.5 17.9 56 58 A M H > S+ 0 0 78 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.894 111.6 53.3 -59.9 -41.3 57.8 40.4 15.5 57 59 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.912 109.6 45.6 -65.3 -44.8 54.1 40.0 16.0 58 60 A F H X S+ 0 0 24 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.855 112.4 51.9 -66.9 -36.6 54.3 40.2 19.8 59 61 A A H X S+ 0 0 60 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.951 112.1 46.6 -60.3 -50.7 56.6 43.2 19.6 60 62 A L H X S+ 0 0 10 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.939 112.0 51.1 -53.5 -50.5 54.1 44.9 17.3 61 63 A R H X>S+ 0 0 30 -4,-2.8 5,-2.7 1,-0.2 4,-1.1 0.900 112.7 44.9 -57.5 -47.4 51.2 44.0 19.7 62 64 A D H <5S+ 0 0 97 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.921 111.8 53.7 -60.5 -47.8 53.1 45.4 22.7 63 65 A H H <5S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.4 44.2 -54.6 -43.5 54.1 48.5 20.7 64 66 A L H <5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.669 117.3-111.5 -80.3 -17.4 50.5 49.3 19.7 65 67 A G T <5 + 0 0 33 -4,-1.1 -40,-0.3 -3,-0.5 2,-0.3 0.758 65.8 142.8 93.6 28.9 49.1 48.6 23.2 66 68 A F < - 0 0 9 -5,-2.7 -1,-0.3 -6,-0.2 -40,-0.2 -0.712 39.7-158.3-100.5 155.6 47.1 45.4 22.6 67 69 A A S S+ 0 0 25 -42,-3.3 2,-0.3 -2,-0.3 -41,-0.2 0.737 71.5 18.2-100.0 -32.3 46.9 42.4 25.0 68 70 A R E -b 26 0B 38 -43,-1.7 -41,-2.8 -7,-0.1 2,-0.3 -0.929 59.6-150.6-143.2 164.4 45.9 39.6 22.7 69 71 A N E -bc 27 95B 0 25,-2.3 27,-1.7 -2,-0.3 2,-0.5 -0.957 12.9-149.5-135.7 150.2 45.8 38.5 19.0 70 72 A V E - c 0 96B 0 -43,-2.4 -40,-1.4 -2,-0.3 2,-0.6 -0.982 26.6-151.6-116.5 113.6 43.8 36.3 16.7 71 73 A I E -bc 30 97B 0 25,-2.6 27,-1.9 -2,-0.5 2,-0.5 -0.780 6.6-153.4 -94.3 115.8 46.2 35.1 14.1 72 74 A V E - c 0 98B 0 -42,-3.3 -40,-0.3 -2,-0.6 27,-0.2 -0.799 28.2-103.6 -96.9 124.4 44.6 34.4 10.8 73 75 A Q - 0 0 1 25,-2.5 2,-0.2 -2,-0.5 -1,-0.1 -0.153 39.8-126.4 -42.8 127.6 46.2 31.8 8.5 74 76 A A > - 0 0 2 -42,-0.4 3,-1.6 1,-0.1 -1,-0.1 -0.601 9.6-127.9 -82.9 147.5 48.0 33.7 5.7 75 77 A S G > S+ 0 0 76 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.754 104.4 67.8 -71.6 -23.9 47.1 32.7 2.1 76 78 A C G 3 S+ 0 0 20 1,-0.3 -34,-2.1 2,-0.1 -1,-0.3 0.577 98.9 54.2 -71.5 -9.0 50.7 32.2 1.1 77 79 A H G X S- 0 0 3 -3,-1.6 3,-1.8 -36,-0.3 -1,-0.3 0.248 89.5-171.1-101.3 8.2 50.8 29.2 3.5 78 80 A G T < - 0 0 21 -3,-1.6 -1,-0.2 1,-0.3 22,-0.2 -0.053 64.9 -12.7 44.2-125.9 47.7 27.6 1.8 79 81 A T T 3 S+ 0 0 78 20,-0.1 2,-0.9 22,-0.0 -1,-0.3 0.515 112.9 99.1 -79.2 -14.4 46.3 24.6 3.7 80 82 A D < + 0 0 88 -3,-1.8 3,-0.4 1,-0.1 4,-0.2 -0.721 45.6 178.1 -89.6 104.8 49.4 24.3 5.9 81 83 A N > + 0 0 13 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.264 46.1 112.1 -89.4 10.8 48.6 26.0 9.3 82 84 A A H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 75.6 48.1 -52.7 -52.1 52.0 25.2 10.9 83 85 A A H > S+ 0 0 1 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.913 114.9 46.6 -57.5 -44.7 53.3 28.8 11.1 84 86 A T H > S+ 0 0 0 2,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.919 112.0 49.4 -65.7 -46.3 50.1 30.0 12.6 85 87 A L H X S+ 0 0 53 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.921 110.2 51.9 -58.9 -43.7 49.9 27.1 15.1 86 88 A D H X S+ 0 0 43 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.899 109.9 48.8 -59.1 -42.6 53.5 27.7 16.2 87 89 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.904 109.1 51.4 -66.6 -43.7 52.7 31.4 16.8 88 90 A I H ><>S+ 0 0 16 -4,-2.5 3,-0.6 1,-0.2 5,-0.5 0.921 110.6 51.6 -55.5 -44.0 49.6 30.7 18.8 89 91 A A H ><5S+ 0 0 73 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.882 109.0 48.2 -60.2 -42.9 51.9 28.3 20.9 90 92 A R H 3<5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.664 94.4 78.7 -73.3 -15.2 54.5 31.0 21.5 91 93 A A T X<5S- 0 0 3 -4,-1.0 3,-1.8 -3,-0.6 -1,-0.2 0.513 92.7-136.7 -75.1 -5.2 51.8 33.4 22.5 92 94 A Q T < 5S- 0 0 177 -3,-1.0 -3,-0.1 1,-0.3 -2,-0.1 0.887 75.7 -41.0 50.4 47.7 51.5 31.9 26.0 93 95 A G T 3 - 0 0 81 -2,-0.3 3,-2.7 -23,-0.2 -2,-0.0 -0.682 37.2-127.7 -64.9 125.3 41.4 21.4 2.8 103 105 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.761 108.3 65.6 -55.1 -19.1 37.7 20.6 2.6 104 106 A A T 3 S+ 0 0 79 2,-0.0 -2,-0.0 37,-0.0 2,-0.0 0.377 72.1 131.8 -84.2 2.7 38.6 16.9 2.9 105 107 A I < - 0 0 21 -3,-2.7 2,-0.1 1,-0.1 -4,-0.0 -0.314 51.7-134.2 -53.0 132.2 40.0 17.5 6.5 106 108 A D > - 0 0 82 1,-0.1 4,-1.7 -2,-0.0 5,-0.2 -0.304 22.3 -97.1 -90.4 175.7 38.7 14.8 8.9 107 109 A E H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 119.8 50.4 -60.5 -44.4 37.2 15.1 12.4 108 110 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 108.5 52.6 -64.9 -36.6 40.4 14.3 14.3 109 111 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 110.1 47.9 -66.9 -39.1 42.5 16.8 12.3 110 112 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.869 109.8 52.9 -67.4 -39.3 40.0 19.6 13.2 111 113 A A H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 108.0 51.4 -60.5 -41.5 40.1 18.5 16.8 112 114 A A H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.914 108.3 51.5 -62.3 -43.4 43.9 18.8 16.7 113 115 A L H <>S+ 0 0 16 -4,-2.1 5,-2.5 2,-0.2 4,-0.3 0.902 108.3 53.0 -57.7 -41.5 43.4 22.4 15.2 114 116 A H H ><5S+ 0 0 49 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.927 108.8 46.6 -61.7 -47.8 41.1 23.2 18.1 115 117 A E H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.6 60.6 -64.9 -28.1 43.6 22.1 20.7 116 118 A G T 3<5S- 0 0 28 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.521 128.1 -99.7 -69.7 -8.7 46.1 24.1 18.7 117 119 A G T < 5S+ 0 0 6 -3,-1.7 -20,-2.0 1,-0.3 2,-0.2 0.476 74.0 144.3 102.6 2.4 43.9 27.2 19.4 118 120 A M E < +d 97 0B 0 -5,-2.5 -1,-0.3 -22,-0.2 -20,-0.2 -0.562 21.3 177.4 -71.8 136.7 42.0 27.5 16.1 119 121 A R E - 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0 0 1 -4,-0.6 -31,-0.1 -3,-0.6 -19,-0.1 -0.512 57.5-154.8 -67.7 118.1 26.3 28.3 6.5 171 173 A P + 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.460 68.9 56.0 -81.9 -1.7 25.3 26.5 9.7 172 174 A V S S- 0 0 29 1,-0.1 -22,-0.1 -24,-0.0 -21,-0.0 -0.736 100.3 -72.3-118.3 169.4 27.6 28.4 12.1 173 175 A P - 0 0 53 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.244 49.9-144.5 -56.2 151.9 28.3 32.0 13.0 174 176 A I E -fg 151 206B 0 31,-2.1 33,-3.1 -24,-0.2 2,-0.4 -0.963 12.8-162.1-125.4 140.4 30.0 34.1 10.3 175 177 A V E -fg 152 207B 1 -24,-2.3 -22,-3.0 -2,-0.4 2,-0.6 -0.995 15.2-146.6-119.7 128.0 32.5 37.0 10.5 176 178 A I E > -fg 153 208B 0 31,-1.9 33,-2.7 -2,-0.4 3,-1.0 -0.862 15.7-131.7 -97.6 118.8 33.0 39.2 7.3 177 179 A D G > S- 0 0 0 -24,-2.6 3,-2.3 -2,-0.6 -22,-0.4 -0.520 84.3 -7.1 -68.8 131.7 36.5 40.5 6.8 178 180 A H G > S- 0 0 7 1,-0.3 3,-1.7 -2,-0.2 -1,-0.2 0.723 117.3 -76.9 56.7 28.3 36.8 44.2 6.0 179 181 A M G < S- 0 0 1 -3,-1.0 -1,-0.3 30,-0.6 -2,-0.1 0.646 83.8 -65.0 58.9 18.3 33.0 44.5 5.8 180 182 A G G < S- 0 0 2 -3,-2.3 -1,-0.3 1,-0.2 -23,-0.2 0.800 86.1 -77.7 74.1 27.3 33.2 42.8 2.3 181 183 A R < - 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0 0 71 -3,-0.4 -246,-0.1 -246,-0.1 2,-0.1 -0.507 16.7-138.4 -74.0 118.7 52.3 50.2 3.1 257 259 A P - 0 0 5 0, 0.0 2,-0.7 0, 0.0 -246,-0.6 -0.432 9.9-124.5 -76.3 149.4 50.2 51.5 6.2 258 260 A D >> - 0 0 30 1,-0.1 4,-1.9 -2,-0.1 3,-0.8 -0.861 19.6-145.8 -86.9 119.7 51.8 52.9 9.3 259 261 A D H 3> S+ 0 0 0 -2,-0.7 4,-2.2 1,-0.3 5,-0.2 0.784 95.4 63.6 -64.1 -25.4 50.3 50.8 12.0 260 262 A G H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -242,-0.3 0.929 107.3 41.9 -56.9 -47.6 50.2 53.7 14.4 261 263 A L H <> S+ 0 0 74 -3,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.844 109.5 58.7 -72.9 -33.2 47.7 55.5 12.1 262 264 A V H >< S+ 0 0 2 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.935 109.8 44.3 -55.6 -46.5 45.8 52.2 11.6 263 265 A V H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.860 104.1 63.9 -69.1 -37.3 45.2 52.0 15.3 264 266 A D H 3< S+ 0 0 31 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.629 88.4 70.7 -66.5 -11.1 44.3 55.7 15.5 265 267 A M T XX S+ 0 0 4 -3,-1.0 4,-1.9 -4,-0.6 3,-1.5 0.822 80.5 79.3 -69.2 -30.4 41.3 55.0 13.3 266 268 A I H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.879 91.6 46.1 -48.8 -51.7 39.7 53.1 16.3 267 269 A P H 34 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.733 110.6 56.7 -69.0 -14.7 38.5 56.2 18.2 268 270 A R H <4 S+ 0 0 103 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.884 115.8 33.8 -78.2 -37.7 37.1 57.6 14.9 269 271 A I H < S+ 0 0 0 -4,-1.9 -34,-0.2 1,-0.3 -3,-0.1 0.704 131.4 34.3 -90.0 -15.7 34.9 54.6 14.2 270 272 A A S < S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.3 6,-0.2 -0.690 71.3 176.2-136.0 78.0 34.1 54.0 17.9 271 273 A P + 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.626 56.4 65.9 -67.9 -17.5 34.0 57.4 19.6 272 274 A T S > S- 0 0 55 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.744 82.2-122.7-108.5 152.0 32.9 56.3 23.1 273 275 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.868 114.8 57.6 -54.6 -35.9 34.8 54.3 25.8 274 276 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.904 107.8 42.5 -60.3 -48.5 31.8 51.9 25.6 275 277 A L H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.870 114.0 52.7 -68.6 -38.9 32.0 51.2 21.8 276 278 A Q H X S+ 0 0 28 -4,-2.2 4,-2.4 -6,-0.2 5,-0.3 0.938 109.5 49.4 -57.3 -49.0 35.8 50.8 22.1 277 279 A H H X>S+ 0 0 89 -4,-2.5 5,-1.9 -5,-0.2 4,-1.7 0.878 113.7 45.7 -62.5 -39.1 35.4 48.3 24.9 278 280 A K H <>S+ 0 0 74 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.967 117.0 42.3 -66.0 -52.2 32.8 46.3 23.0 279 281 A M H <5S+ 0 0 0 -4,-2.8 -36,-0.6 1,-0.2 -2,-0.2 0.828 127.5 30.0 -64.4 -34.6 34.7 46.2 19.7 280 282 A L H <5S+ 0 0 0 -4,-2.4 -254,-2.7 -5,-0.2 -1,-0.2 0.620 134.0 14.2-106.1 -20.1 38.2 45.6 21.2 281 283 A V T X5S+ 0 0 20 -4,-1.7 4,-2.3 -5,-0.3 -3,-0.2 0.660 124.6 32.9-118.7 -69.6 37.5 43.6 24.4 282 284 A T H >>S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.5 0.878 114.1 55.3 -64.4 -31.0 36.3 39.4 20.4 285 287 A M H X5S+ 0 0 20 -4,-2.3 4,-1.7 1,-0.2 7,-0.2 0.907 106.9 51.5 -62.7 -40.1 36.4 37.8 24.0 286 288 A R H <5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.1 0.827 117.6 37.2 -63.0 -34.4 32.9 36.3 23.3 287 289 A L H <5S+ 0 0 25 -4,-1.5 3,-0.2 -5,-0.1 -2,-0.2 0.848 130.4 24.4 -88.9 -38.3 33.9 34.8 19.9 288 290 A Y H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.670 132.4 31.4-107.4 -22.1 37.5 33.6 20.6 289 291 A W >X< + 0 0 1 -4,-1.7 3,-1.1 -5,-0.5 4,-0.6 -0.376 68.8 145.0-130.3 53.2 37.6 33.1 24.3 290 292 A S G >4 + 0 0 69 1,-0.3 3,-0.9 -3,-0.2 -1,-0.1 0.817 68.2 62.9 -65.0 -31.5 34.1 32.1 25.1 291 293 A E G 34 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.783 103.9 50.6 -62.9 -26.3 35.1 29.6 27.8 292 294 A E G <4 S+ 0 0 98 -3,-1.1 -1,-0.2 -7,-0.2 -2,-0.2 0.681 98.3 91.5 -82.7 -18.5 36.5 32.7 29.7 293 295 A M << 0 0 64 -3,-0.9 -3,-0.0 -4,-0.6 -11,-0.0 -0.202 360.0 360.0 -87.4 170.6 33.3 34.7 29.4 294 296 A E 0 0 248 -2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.002 360.0 360.0 93.8 360.0 30.2 35.2 31.6