==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-01 1GQ7 . COMPND 2 MOLECULE: PROCLAVAMINATE AMIDINO HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR J.M.ELKINS,I.J.CLIFTON,H.HERNANDEZ,C.V.ROBINSON, . 1806 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1296 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 292 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.3 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 . 6 0.3 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 . 141 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 252 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 491 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 6 6 0 12 6 0 0 0 6 0 0 0 0 0 6 0 12 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 6 12 14 4 6 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 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 0 6 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 9 A S 0 0 110 0, 0.0 1288,-0.1 0, 0.0 1286,-0.1 0.000 360.0 360.0 360.0 109.7 -13.8 -78.2 34.1 2 10 A P > - 0 0 16 0, 0.0 3,-1.3 0, 0.0 337,-0.1 -0.105 360.0-132.7 -51.1 140.9 -15.8 -75.2 32.9 3 11 A R T 3 S+ 0 0 60 335,-0.3 336,-0.1 1,-0.3 9,-0.1 0.611 105.7 58.0 -73.3 -12.5 -14.0 -72.0 32.5 4 12 A Y T 3 S+ 0 0 4 1234,-0.1 -1,-0.3 49,-0.1 2,-0.2 0.368 91.7 93.2 -96.0 2.3 -16.7 -70.0 34.4 5 13 A A S < S+ 0 0 1 -3,-1.3 1282,-0.1 2,-0.1 1246,-0.0 -0.634 71.0 28.4 -95.2 154.6 -16.2 -72.2 37.4 6 14 A Q S S- 0 0 42 -2,-0.2 3,-0.1 1280,-0.1 1278,-0.1 0.264 106.9 -46.8 77.4 154.5 -13.9 -71.4 40.3 7 15 A I S S- 0 0 22 1,-0.1 2,-0.2 1278,-0.1 -2,-0.1 -0.336 73.2-110.5 -56.9 127.0 -12.8 -68.1 41.7 8 16 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.437 41.9 170.2 -69.7 127.2 -11.8 -66.0 38.6 9 17 A T > - 0 0 16 -2,-0.2 3,-2.3 40,-0.2 2,-0.3 -0.843 53.7 -69.6-126.1 164.0 -8.1 -65.1 38.1 10 18 A F G > S- 0 0 1 1,-0.3 3,-1.8 -2,-0.3 39,-0.1 -0.401 118.5 -17.2 -60.8 117.0 -6.6 -63.5 35.0 11 19 A M G 3 S- 0 0 11 -2,-0.3 -1,-0.3 1,-0.3 46,-0.1 0.788 118.6 -72.8 55.7 29.5 -6.8 -66.2 32.3 12 20 A R G < S+ 0 0 99 -3,-2.3 -1,-0.3 37,-0.2 -2,-0.2 0.788 86.5 162.1 57.6 30.1 -7.3 -68.7 35.1 13 21 A L < - 0 0 10 -3,-1.8 -1,-0.2 1,-0.1 60,-0.1 -0.337 49.1 -84.8 -73.0 161.2 -3.7 -68.4 36.1 14 22 A P - 0 0 84 0, 0.0 60,-2.9 0, 0.0 2,-0.4 -0.266 46.0-120.9 -63.8 158.7 -2.7 -69.6 39.6 15 23 A H B +a 74 0A 94 58,-0.2 60,-0.2 -3,-0.1 -6,-0.0 -0.865 39.3 157.8-107.1 138.0 -3.2 -67.1 42.4 16 24 A D - 0 0 49 58,-2.2 57,-0.0 -2,-0.4 0, 0.0 -0.700 22.8-166.0-160.8 100.1 -0.4 -65.9 44.7 17 25 A P S S+ 0 0 86 0, 0.0 58,-0.1 0, 0.0 -1,-0.1 0.713 94.9 38.4 -60.9 -23.8 -0.6 -62.6 46.6 18 26 A Q S S- 0 0 80 2,-0.0 58,-0.0 81,-0.0 57,-0.0 -0.553 87.0-174.4-128.3 66.6 3.1 -62.6 47.4 19 27 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 83,-0.1 -0.282 5.5 179.7 -64.9 144.5 4.6 -64.0 44.1 20 28 A R + 0 0 67 81,-0.0 83,-0.2 1,-0.0 -2,-0.0 -0.971 59.5 15.9-149.2 128.9 8.4 -64.8 43.9 21 29 A G S S+ 0 0 61 81,-3.3 82,-0.2 -2,-0.3 2,-0.1 0.498 83.5 131.9 92.0 4.4 10.4 -66.2 41.0 22 30 A Y - 0 0 60 80,-0.2 82,-2.1 1,-0.1 -1,-0.3 -0.483 56.1-137.2 -90.8 162.2 8.0 -65.6 38.1 23 31 A D S S+ 0 0 51 48,-2.0 82,-1.9 1,-0.3 2,-0.4 0.929 91.5 14.0 -78.9 -49.9 8.7 -64.1 34.7 24 32 A V E -bc 72 105A 0 47,-1.5 49,-1.1 80,-0.2 2,-0.5 -0.984 66.3-160.6-134.6 125.6 5.5 -62.0 34.6 25 33 A V E -bc 73 106A 0 80,-2.3 82,-2.7 -2,-0.4 2,-0.6 -0.888 14.3-142.3-104.7 128.7 3.1 -61.1 37.4 26 34 A V E -bc 74 107A 1 47,-3.2 49,-2.5 -2,-0.5 2,-0.4 -0.832 27.0-176.2 -90.5 121.5 -0.4 -60.0 36.5 27 35 A I E - c 0 108A 0 80,-2.3 82,-2.5 -2,-0.6 2,-0.3 -0.975 16.7-139.4-126.1 133.5 -1.4 -57.3 39.1 28 36 A G E -bc 77 109A 0 48,-2.6 50,-2.4 -2,-0.4 82,-0.2 -0.681 9.3-167.8 -93.2 143.5 -4.7 -55.5 39.4 29 37 A A E - c 0 110A 0 80,-2.1 2,-2.0 -2,-0.3 82,-0.6 -0.703 6.3-170.6-128.7 77.0 -5.0 -51.8 40.2 30 38 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.465 42.8 118.0 -72.0 81.0 -8.7 -51.2 41.1 31 39 A Y + 0 0 2 -2,-2.0 81,-1.6 10,-0.4 84,-0.1 -0.997 33.4 168.5-151.2 139.9 -8.7 -47.4 41.1 32 40 A D > + 0 0 3 -2,-0.3 3,-2.0 79,-0.2 9,-0.1 0.131 43.3 121.1-137.5 20.7 -10.3 -44.6 39.2 33 41 A G T 3 S+ 0 0 16 1,-0.3 52,-0.1 48,-0.2 117,-0.1 0.622 76.9 55.6 -61.3 -12.8 -9.4 -41.6 41.4 34 42 A G T 3 S+ 0 0 0 117,-0.1 118,-2.6 51,-0.1 -1,-0.3 0.527 78.1 116.2 -97.8 -6.5 -7.6 -40.1 38.4 35 43 A T < - 0 0 2 -3,-2.0 -3,-0.1 116,-0.2 5,-0.0 -0.403 44.5-167.5 -66.8 133.2 -10.7 -40.2 36.0 36 44 A S S S+ 0 0 25 -2,-0.1 571,-0.3 2,-0.1 -1,-0.1 0.630 77.8 11.4 -95.7 -15.9 -11.8 -36.7 34.9 37 45 A Y S S+ 0 0 2 1,-0.4 204,-0.1 569,-0.1 -2,-0.1 0.455 124.1 22.5-123.1 -94.5 -15.1 -37.8 33.4 38 46 A R - 0 0 3 202,-1.1 -1,-0.4 1,-0.0 3,-0.2 -0.692 67.4-159.0 -84.5 127.5 -16.7 -41.2 33.8 39 47 A P + 0 0 4 0, 0.0 -6,-0.1 0, 0.0 -3,-0.0 -0.206 53.4 96.7 -88.9-170.5 -15.5 -43.1 36.9 40 48 A G > + 0 0 1 -2,-0.1 3,-2.2 235,-0.1 4,-0.2 0.238 42.1 114.8 113.6 -16.4 -15.8 -46.9 37.2 41 49 A A G > + 0 0 1 1,-0.3 3,-1.4 -3,-0.2 -10,-0.4 0.662 63.2 80.4 -61.7 -13.2 -12.3 -48.1 36.1 42 50 A R G 3 S+ 0 0 8 1,-0.3 -1,-0.3 -12,-0.2 4,-0.3 0.729 92.7 49.0 -66.0 -19.5 -12.0 -49.3 39.7 43 51 A F G <> S+ 0 0 14 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.417 84.2 96.9 -97.0 -0.5 -14.0 -52.3 38.6 44 52 A G H <> S+ 0 0 0 -3,-1.4 4,-3.0 228,-0.3 5,-0.3 0.942 80.8 49.6 -53.3 -54.6 -11.9 -52.9 35.6 45 53 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.892 113.1 47.7 -52.8 -44.3 -9.6 -55.6 37.2 46 54 A Q H > S+ 0 0 31 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.931 115.1 43.7 -63.5 -48.2 -12.6 -57.5 38.5 47 55 A A H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.908 113.1 51.4 -65.9 -43.2 -14.5 -57.5 35.1 48 56 A I H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.918 111.8 47.2 -61.4 -43.2 -11.4 -58.3 33.1 49 57 A R H < S+ 0 0 10 -4,-2.2 4,-0.3 -5,-0.3 -38,-0.2 0.923 109.5 55.3 -63.6 -43.1 -10.7 -61.3 35.3 50 58 A S H >< S+ 0 0 31 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.898 114.7 36.5 -56.3 -46.5 -14.3 -62.4 35.1 51 59 A E H >< S+ 0 0 35 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.632 94.0 87.1 -83.8 -15.3 -14.4 -62.5 31.3 52 60 A S G >< + 0 0 1 -4,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.564 63.0 90.5 -63.7 -5.9 -10.8 -63.8 30.9 53 61 A G G < S+ 0 0 5 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.791 81.9 57.4 -60.5 -26.2 -12.1 -67.4 31.2 54 62 A L G < S+ 0 0 15 -3,-1.7 2,-0.5 1,-0.0 -1,-0.3 0.635 95.3 75.6 -78.4 -17.5 -12.6 -67.4 27.4 55 63 A I < + 0 0 9 -3,-1.4 2,-0.1 -4,-0.2 -1,-0.0 -0.875 58.2 180.0-106.0 124.4 -8.9 -66.6 26.7 56 64 A H - 0 0 55 -2,-0.5 10,-0.1 2,-0.2 -44,-0.1 -0.404 39.2-112.4-104.5-175.6 -6.2 -69.3 27.0 57 65 A G S S+ 0 0 10 -2,-0.1 9,-1.7 -46,-0.1 2,-0.8 0.683 89.8 95.6 -92.9 -18.8 -2.4 -69.0 26.4 58 66 A V - 0 0 23 7,-0.3 423,-0.8 423,-0.2 -2,-0.2 -0.618 58.6-171.6 -76.1 105.3 -2.5 -71.3 23.4 59 67 A G - 0 0 17 -2,-0.8 422,-1.8 421,-0.2 2,-0.4 0.417 34.6 -78.6 -72.6-143.7 -2.7 -69.1 20.3 60 68 A I S S- 0 0 34 420,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.984 104.1 -12.8-129.4 121.6 -3.3 -70.5 16.8 61 69 A D S S+ 0 0 86 -2,-0.4 2,-0.1 423,-0.3 -1,-0.1 0.744 108.8 121.1 61.8 21.5 -0.4 -72.0 14.8 62 70 A R S S- 0 0 38 1,-0.3 -1,-0.2 422,-0.0 -4,-0.0 -0.258 71.9 -78.5 -97.4-169.0 1.8 -70.5 17.4 63 71 A G S S- 0 0 32 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.455 75.5 -50.4 -70.8-142.8 4.2 -72.5 19.6 64 72 A P S S- 0 0 72 0, 0.0 -6,-0.1 0, 0.0 3,-0.1 0.541 97.3 -83.8 -72.0 -10.3 3.3 -74.6 22.7 65 73 A G >> - 0 0 2 1,-0.1 3,-2.3 -8,-0.1 4,-0.8 0.093 38.4 -89.3 110.8 135.5 1.4 -71.7 24.3 66 74 A T H >> S+ 0 0 6 -9,-1.7 4,-1.9 1,-0.3 3,-1.0 0.807 119.5 54.9 -41.4 -49.7 2.4 -68.7 26.4 67 75 A F H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.473 104.5 52.9 -72.8 -1.9 2.2 -70.4 29.8 68 76 A D H <4 S+ 0 0 128 -3,-2.3 -1,-0.2 -11,-0.1 -2,-0.2 0.547 111.5 47.8-103.4 -13.5 4.5 -73.3 28.9 69 77 A L H << S+ 0 0 85 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.794 123.1 18.4 -93.2 -37.0 7.2 -70.8 27.8 70 78 A I S < S- 0 0 11 -4,-1.9 2,-0.7 -46,-0.0 -1,-0.2 -0.919 75.9-115.3-134.7 161.2 7.1 -68.5 30.8 71 79 A N + 0 0 98 -2,-0.3 -48,-2.0 -50,-0.1 -47,-1.5 -0.870 40.0 170.4-101.9 114.9 5.8 -68.6 34.4 72 80 A C E - b 0 24A 9 -2,-0.7 2,-0.3 -49,-0.2 -47,-0.2 -0.831 7.8-179.2-121.7 160.7 3.0 -66.2 35.1 73 81 A V E - b 0 25A 0 -49,-1.1 -47,-3.2 -2,-0.3 2,-0.7 -0.986 32.0-116.3-155.2 157.2 0.7 -65.7 38.1 74 82 A D E -ab 15 26A 0 -60,-2.9 -58,-2.2 -2,-0.3 -47,-0.2 -0.893 24.3-172.3 -99.9 111.2 -2.2 -63.5 39.3 75 83 A A E - 0 0 3 -49,-2.5 -48,-0.1 -2,-0.7 2,-0.1 0.250 35.6-125.5 -87.3 12.4 -1.0 -61.6 42.3 76 84 A G E - 0 0 0 -50,-0.3 -48,-2.6 1138,-0.1 -1,-0.3 -0.472 48.1 -42.8 77.6-152.0 -4.4 -60.2 43.2 77 85 A D E - b 0 28A 6 -50,-0.2 2,-0.4 -2,-0.1 -48,-0.2 -0.735 45.6-112.1-117.2 165.1 -4.8 -56.4 43.5 78 86 A I - 0 0 0 -50,-2.4 2,-1.9 -2,-0.3 1136,-0.1 -0.752 38.8-117.3 -88.3 134.9 -3.0 -53.5 45.0 79 87 A N + 0 0 68 -2,-0.4 2,-0.5 12,-0.1 -50,-0.1 -0.568 45.7 178.2 -77.4 88.4 -5.0 -52.0 47.9 80 88 A L - 0 0 0 -2,-1.9 8,-0.1 -50,-0.2 9,-0.0 -0.820 24.5-131.1 -97.1 124.1 -5.5 -48.6 46.4 81 89 A T - 0 0 27 -2,-0.5 3,-0.2 3,-0.2 -48,-0.2 -0.446 4.0-152.4 -72.2 142.4 -7.6 -46.1 48.3 82 90 A P S S+ 0 0 17 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.448 88.5 65.4 -92.5 1.5 -10.4 -44.4 46.5 83 91 A F S S+ 0 0 23 1,-0.2 1512,-0.4 1574,-0.1 2,-0.3 0.604 100.2 39.1-100.8 -14.0 -10.2 -41.4 48.8 84 92 A D > - 0 0 42 -3,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.831 53.9-163.7-148.9 109.3 -6.7 -39.9 48.1 85 93 A M H > S+ 0 0 12 1508,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.894 93.4 46.7 -48.9 -55.6 -5.0 -39.6 44.8 86 94 A N H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 112.8 49.1 -61.5 -40.8 -1.5 -39.0 46.1 87 95 A I H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 110.0 52.0 -67.3 -38.0 -1.6 -41.8 48.6 88 96 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 108.3 50.3 -65.6 -43.5 -2.9 -44.3 46.0 89 97 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 112.3 47.2 -61.8 -41.8 -0.1 -43.5 43.5 90 98 A D H X S+ 0 0 84 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.910 111.6 50.1 -66.1 -41.9 2.5 -44.0 46.2 91 99 A T H X S+ 0 0 51 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.909 111.2 50.6 -61.8 -41.5 1.0 -47.3 47.4 92 100 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.942 110.6 47.7 -61.6 -49.2 0.9 -48.4 43.7 93 101 A Q H X S+ 0 0 60 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.939 113.4 48.6 -56.4 -49.8 4.6 -47.5 43.2 94 102 A S H X S+ 0 0 86 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 114.3 44.9 -57.5 -47.4 5.6 -49.3 46.4 95 103 A H H X S+ 0 0 55 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.911 114.5 47.9 -65.7 -44.1 3.6 -52.4 45.6 96 104 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.883 111.4 50.6 -65.9 -38.7 4.8 -52.6 42.0 97 105 A S H X S+ 0 0 41 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.911 107.0 55.8 -64.1 -41.4 8.4 -52.1 43.1 98 106 A G H >X S+ 0 0 46 -4,-2.1 3,-0.8 -5,-0.2 4,-0.5 0.918 105.6 51.3 -56.3 -44.5 8.0 -54.9 45.6 99 107 A L H >X S+ 0 0 12 -4,-1.9 3,-1.2 1,-0.2 4,-1.0 0.892 106.7 53.2 -60.1 -42.6 6.9 -57.2 42.8 100 108 A L H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.674 94.1 71.7 -69.1 -16.9 10.0 -56.4 40.7 101 109 A K H << S+ 0 0 92 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.789 118.3 16.8 -70.0 -23.5 12.2 -57.2 43.6 102 110 A A H << S+ 0 0 50 -3,-1.2 -81,-3.3 -4,-0.5 2,-0.3 0.344 123.5 54.6-130.0 4.3 11.4 -61.0 43.1 103 111 A N S < S- 0 0 11 -4,-1.0 -80,-0.2 -83,-0.2 -1,-0.1 -0.981 75.3-123.5-139.9 151.6 9.9 -61.2 39.7 104 112 A A S S- 0 0 47 -82,-2.1 2,-0.3 -2,-0.3 -80,-0.2 0.935 80.7 -27.7 -60.1 -52.9 11.1 -60.2 36.2 105 113 A A E -c 24 0A 0 -82,-1.9 -80,-2.3 -83,-0.2 2,-0.3 -0.941 55.8-130.5-156.4 175.2 8.2 -58.0 35.2 106 114 A F E -c 25 0A 1 159,-0.3 161,-1.7 -2,-0.3 2,-0.5 -0.906 7.3-143.0-135.3 161.7 4.5 -57.3 35.6 107 115 A L E -cd 26 267A 0 -82,-2.7 -80,-2.3 -2,-0.3 2,-0.6 -0.974 23.9-150.8-123.4 108.6 1.3 -56.7 33.6 108 116 A M E -cd 27 268A 0 159,-2.5 161,-2.2 -2,-0.5 2,-0.7 -0.750 11.4-171.7 -89.1 120.3 -0.9 -54.2 35.3 109 117 A I E +cd 28 269A 3 -82,-2.5 -80,-2.1 -2,-0.6 161,-0.2 -0.947 39.2 135.8-104.2 111.4 -4.6 -54.6 34.6 110 118 A G E -c 29 0A 0 159,-1.9 162,-0.3 -2,-0.7 2,-0.1 -0.251 54.5 -81.0-134.4-145.0 -6.1 -51.5 36.1 111 119 A G S S- 0 0 0 -82,-0.6 160,-2.5 1,-0.4 161,-0.3 0.090 84.3 -7.3-105.2-140.1 -8.2 -48.5 36.5 112 120 A D > - 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0 0 34 11,-2.7 15,-0.2 1,-0.1 2,-0.0 -0.463 61.8 -90.5 -84.5 157.1 -1.0 -32.7 30.0 143 151 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.314 35.6-134.3 -66.2 145.3 0.1 -30.4 32.9 144 152 A A - 0 0 36 10,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.304 24.8-165.7 -87.4 179.4 -0.8 -31.4 36.4 145 153 A F B > -I 148 0B 99 3,-0.7 3,-2.0 -2,-0.1 2,-0.1 -0.982 32.1 -66.2-161.7 166.7 -2.2 -28.9 38.9 146 154 A Y T 3 S+ 0 0 220 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.370 122.2 14.4 -62.2 131.3 -2.9 -28.3 42.6 147 155 A G T 3 S+ 0 0 13 -2,-0.1 -1,-0.3 1446,-0.1 1446,-0.1 0.619 131.4 56.0 78.8 11.9 -5.5 -30.6 44.0 148 156 A G B X +I 145 0B 0 -3,-2.0 3,-0.9 3,-0.1 -3,-0.7 -0.044 54.4 143.4-166.9 47.4 -5.0 -32.7 40.9 149 157 A R T 3 S+ 0 0 113 1,-0.2 -3,-0.1 -5,-0.2 -5,-0.0 0.802 80.6 36.7 -64.7 -29.9 -1.4 -33.7 40.5 150 158 A Y T 3 S+ 0 0 6 1443,-0.1 -1,-0.2 -5,-0.1 2,-0.1 -0.268 71.4 150.4-121.8 50.2 -2.2 -37.2 39.1 151 159 A H X - 0 0 19 -3,-0.9 3,-2.4 1,-0.1 -116,-0.2 -0.526 65.5 -99.8 -75.9 152.7 -5.3 -37.0 36.9 152 160 A H T 3 S+ 0 0 16 -118,-2.6 -1,-0.1 1,-0.3 -39,-0.1 0.396 119.3 68.5 -57.0 7.8 -5.2 -39.6 34.2 153 161 A G T 3 S+ 0 0 5 -119,-0.2 -11,-2.7 1,-0.1 -1,-0.3 0.399 93.3 58.1-105.2 4.0 -4.0 -37.0 31.7 154 162 A T X> + 0 0 1 -3,-2.4 4,-2.2 -13,-0.2 3,-1.2 0.546 66.5 103.2-110.6 -10.2 -0.6 -36.6 33.3 155 163 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -14,-0.1 0.865 91.2 36.2 -41.7 -55.8 1.1 -40.1 33.4 156 164 A F H 3> S+ 0 0 0 -16,-1.5 4,-1.4 2,-0.2 -15,-0.2 0.621 110.8 62.2 -79.2 -10.6 3.6 -39.6 30.5 157 165 A R H <> S+ 0 0 56 -3,-1.2 4,-2.8 -17,-0.7 5,-0.2 0.939 109.2 42.1 -73.6 -49.3 4.2 -35.9 31.4 158 166 A H H X S+ 0 0 14 -4,-2.2 4,-3.4 1,-0.2 6,-0.3 0.907 109.9 59.2 -61.2 -43.3 5.6 -37.0 34.8 159 167 A G H <>S+ 0 0 0 -4,-1.9 5,-2.3 -5,-0.3 6,-1.9 0.879 112.7 37.7 -54.1 -42.9 7.5 -39.9 33.0 160 168 A I H ><5S+ 0 0 7 -4,-1.4 3,-1.8 4,-0.2 -2,-0.2 0.944 117.5 49.3 -75.8 -49.8 9.4 -37.4 30.9 161 169 A D H 3<5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.885 113.2 47.9 -56.5 -40.9 9.8 -34.7 33.5 162 170 A E T 3<5S- 0 0 64 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.379 112.2-119.7 -83.3 5.2 11.1 -37.3 36.0 163 171 A K T < 5S+ 0 0 157 -3,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.765 79.5 124.9 63.2 25.4 13.5 -38.8 33.5 164 172 A L S - 0 0 76 -36,-3.0 3,-3.3 -2,-0.3 -34,-0.3 -0.857 18.5-159.8-101.6 96.5 13.6 -41.3 27.2 167 175 A P E > S+ 0 0 23 0, 0.0 3,-2.0 0, 0.0 27,-0.4 0.793 88.5 64.7 -45.5 -37.3 11.3 -39.2 24.9 168 176 A A E 3 S+ 0 0 69 1,-0.3 24,-0.1 25,-0.1 -37,-0.1 0.633 107.6 43.7 -64.4 -12.5 13.5 -39.8 22.0 169 177 A A E < S+ 0 0 10 -3,-3.3 -37,-1.8 -39,-0.2 2,-0.4 -0.024 94.5 103.5-121.6 28.4 12.5 -43.5 22.4 170 178 A M E < -e 132 0A 1 -3,-2.0 24,-2.5 22,-0.3 2,-0.4 -0.945 42.1-179.1-117.1 134.2 8.8 -43.0 22.9 171 179 A V E -eg 133 194A 0 -39,-2.8 -37,-3.0 -2,-0.4 2,-0.5 -0.993 6.0-168.7-131.9 124.6 6.0 -43.6 20.4 172 180 A Q E -eg 134 195A 0 22,-2.2 24,-3.0 -2,-0.4 2,-0.4 -0.969 10.5-165.8-116.2 125.9 2.3 -43.0 21.0 173 181 A I E +eg 135 196A 0 -39,-2.2 -37,-2.1 -2,-0.5 24,-0.2 -0.882 59.3 34.1-113.4 142.1 -0.1 -44.3 18.5 174 182 A G E + 0 0 0 22,-2.2 24,-0.3 -2,-0.4 23,-0.2 0.333 63.5 163.3 104.9 -6.2 -3.8 -43.6 18.0 175 183 A I E + g 0 197A 1 21,-0.7 23,-2.9 -3,-0.2 24,-0.5 -0.178 19.1 133.9 -49.8 131.0 -4.1 -39.9 19.0 176 184 A R + 0 0 20 -39,-2.3 2,-0.6 21,-0.2 -37,-0.1 -0.944 30.9 45.3-164.3 178.1 -7.3 -38.4 17.8 177 185 A G S S- 0 0 25 -2,-0.3 2,-0.4 67,-0.1 487,-0.1 -0.643 97.2 -14.8 84.7-119.2 -10.2 -36.2 18.8 178 186 A H - 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