==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-11 3ZXY . COMPND 2 MOLECULE: SUBTILISIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLORON DIDEMNI; . AUTHOR J.KOEHNKE,J.H.NAISMITH . 275 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.7 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 . 2 0.7 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 8 A M > 0 0 101 0, 0.0 3,-2.0 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 8.4 -11.5 54.5 40.7 2 9 A G T 3 - 0 0 84 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.156 360.0 -11.3 51.8-124.4 -13.6 57.3 39.3 3 10 A S T 3 S+ 0 0 106 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.389 100.6 112.4 -96.1 2.2 -14.5 56.8 35.7 4 11 A L < + 0 0 71 -3,-2.0 219,-0.1 1,-0.1 0, 0.0 -0.589 32.4 166.0 -77.1 135.6 -12.2 53.9 34.8 5 12 A K - 0 0 93 -2,-0.3 68,-2.8 1,-0.2 69,-0.5 0.533 39.9-111.7-129.6 -11.3 -14.2 50.8 34.1 6 13 A G - 0 0 17 67,-0.2 2,-0.4 66,-0.2 -1,-0.2 -0.284 27.4 -83.5 100.5 173.3 -11.9 48.2 32.5 7 14 A D > - 0 0 38 215,-0.2 3,-2.1 -2,-0.1 68,-0.5 -0.968 22.6-135.5-123.0 133.1 -11.6 46.6 29.1 8 15 A H T 3 S+ 0 0 116 -2,-0.4 67,-0.2 1,-0.3 -1,-0.1 0.665 102.2 70.1 -65.9 -14.6 -13.6 43.6 28.0 9 16 A N T 3 S+ 0 0 81 65,-0.1 2,-0.5 217,-0.1 -1,-0.3 0.581 83.9 83.9 -76.1 -9.3 -10.4 42.0 26.6 10 17 A I S < S- 0 0 0 -3,-2.1 65,-2.2 63,-0.1 2,-0.5 -0.853 70.2-154.0 -97.5 127.7 -9.1 41.5 30.1 11 18 A R E -a 75 0A 65 -2,-0.5 96,-2.9 94,-0.3 97,-1.6 -0.886 10.0-172.0-109.0 124.9 -10.3 38.3 31.8 12 19 A V E -ab 76 108A 0 63,-2.8 65,-2.6 -2,-0.5 2,-0.4 -0.973 10.4-153.5-117.8 120.3 -10.6 38.1 35.6 13 20 A A E -ab 77 109A 0 95,-3.0 97,-3.1 -2,-0.5 2,-0.6 -0.792 1.1-154.6 -95.3 136.8 -11.4 34.7 37.1 14 21 A I E -ab 78 110A 1 63,-2.9 65,-2.8 -2,-0.4 2,-0.8 -0.964 6.8-170.5-109.8 113.6 -13.1 34.4 40.5 15 22 A L E +a 79 0A 0 95,-2.4 97,-0.5 -2,-0.6 2,-0.2 -0.876 49.6 94.8-104.9 97.3 -12.3 31.1 42.2 16 23 A D E S-a 80 0A 0 -2,-0.8 65,-2.8 63,-0.5 66,-2.1 -0.602 78.7 -42.0-153.9-153.2 -14.7 31.2 45.1 17 24 A G S S- 0 0 1 31,-0.4 -1,-0.3 63,-0.2 32,-0.2 -0.246 83.5 -57.6 -78.4 179.8 -18.2 30.0 46.0 18 25 A P - 0 0 2 0, 0.0 35,-0.6 0, 0.0 2,-0.5 -0.270 54.0-137.7 -55.4 145.7 -21.2 30.1 43.8 19 26 A V - 0 0 9 21,-0.4 2,-1.9 33,-0.2 23,-0.3 -0.950 8.0-134.3-112.6 127.7 -22.1 33.5 42.5 20 27 A D > + 0 0 28 -2,-0.5 3,-2.0 29,-0.3 6,-0.2 -0.581 27.8 179.0 -76.7 83.8 -25.7 34.7 42.3 21 28 A I T 3 S+ 0 0 88 -2,-1.9 -1,-0.2 1,-0.3 8,-0.1 0.603 73.1 68.3 -67.8 -10.0 -25.4 36.1 38.8 22 29 A A T 3 S+ 0 0 85 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.508 71.5 117.5 -84.7 -6.0 -29.1 37.1 38.9 23 30 A H S X S- 0 0 4 -3,-2.0 3,-2.1 1,-0.1 4,-0.2 -0.355 77.4-119.5 -60.8 141.0 -28.4 39.7 41.6 24 31 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.758 109.2 68.0 -56.6 -26.9 -29.3 43.2 40.3 25 32 A C G 3 S+ 0 0 0 1,-0.2 37,-2.6 40,-0.1 44,-0.2 0.729 97.7 53.9 -66.7 -18.8 -25.7 44.4 40.7 26 33 A F G X S+ 0 0 8 -3,-2.1 3,-2.2 35,-0.2 2,-0.6 0.404 73.2 121.3 -95.1 3.2 -24.6 42.1 37.9 27 34 A Q T < S+ 0 0 159 -3,-1.4 3,-0.1 1,-0.3 -5,-0.1 -0.553 84.6 20.9 -70.4 113.7 -27.1 43.3 35.3 28 35 A G T 3 S+ 0 0 55 -2,-0.6 -1,-0.3 1,-0.4 2,-0.1 0.180 96.5 124.0 109.6 -17.3 -24.8 44.5 32.5 29 36 A A < - 0 0 22 -3,-2.2 2,-0.9 -8,-0.1 -1,-0.4 -0.472 61.5-132.2 -75.2 148.8 -21.8 42.4 33.6 30 37 A D E +c 75 0A 79 44,-0.5 46,-2.9 42,-0.4 2,-0.4 -0.862 43.3 163.2-100.0 95.1 -20.2 40.0 31.1 31 38 A L E -c 76 0A 33 -2,-0.9 2,-0.4 44,-0.2 46,-0.2 -0.935 22.6-168.5-119.7 136.9 -19.8 36.8 33.3 32 39 A T E -c 77 0A 51 44,-2.3 46,-3.3 -2,-0.4 2,-0.5 -0.996 15.1-143.4-123.9 128.4 -19.2 33.2 32.2 33 40 A V E -c 78 0A 50 -2,-0.4 46,-0.2 44,-0.2 7,-0.0 -0.815 10.1-163.3 -92.2 129.3 -19.6 30.4 34.6 34 41 A L - 0 0 23 44,-3.2 2,-0.1 -2,-0.5 66,-0.0 -0.870 14.6-144.3-114.2 92.3 -17.1 27.6 34.1 35 42 A P + 0 0 72 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.348 28.9 164.4 -60.3 131.2 -18.4 24.4 35.9 36 43 A T - 0 0 32 2,-0.5 45,-0.1 44,-0.4 4,-0.1 0.106 63.9 -57.9-116.4-123.2 -15.5 22.5 37.4 37 44 A L S S+ 0 0 131 43,-0.2 44,-0.1 56,-0.1 3,-0.1 0.791 111.5 77.8-100.4 -26.9 -16.4 19.8 40.0 38 45 A A S S- 0 0 23 42,-0.6 -2,-0.5 1,-0.1 44,-0.1 -0.404 95.7 -85.8 -76.0 154.4 -18.2 21.9 42.7 39 46 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.262 31.0-161.4 -55.6 145.5 -21.8 23.0 42.3 40 47 A T + 0 0 54 -22,-0.1 -21,-0.4 -3,-0.1 2,-0.3 0.586 57.5 103.9-103.3 -16.3 -22.3 26.3 40.4 41 48 A A - 0 0 71 -23,-0.1 2,-0.2 -21,-0.1 -21,-0.1 -0.526 67.0-134.5 -73.4 127.4 -25.9 27.1 41.6 42 49 A A - 0 0 37 -2,-0.3 2,-0.4 -23,-0.3 -23,-0.1 -0.559 15.7-159.0 -80.7 145.7 -26.0 29.8 44.2 43 50 A R > - 0 0 138 -2,-0.2 3,-1.7 -25,-0.1 7,-0.1 -0.989 20.2-139.8-124.6 136.8 -28.2 29.4 47.3 44 51 A S T 3 S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.778 108.2 46.7 -65.6 -23.9 -29.5 32.3 49.5 45 52 A D T 3 S+ 0 0 106 -3,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.249 90.2 111.1 -98.0 10.8 -28.8 30.2 52.6 46 53 A G <> - 0 0 5 -3,-1.7 4,-2.2 1,-0.1 5,-0.1 -0.742 57.3-153.2 -95.6 131.2 -25.3 29.1 51.5 47 54 A F H > S+ 0 0 175 -2,-0.5 4,-1.9 37,-0.3 -1,-0.1 0.863 101.3 41.7 -65.6 -37.1 -22.2 30.3 53.3 48 55 A M H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 -31,-0.4 0.828 110.3 56.6 -84.1 -30.1 -20.0 30.0 50.2 49 56 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -29,-0.3 0.914 110.4 47.5 -58.0 -41.3 -22.7 31.4 47.9 50 57 A A H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.954 114.0 46.5 -63.4 -46.6 -22.6 34.4 50.2 51 58 A H H X S+ 0 0 39 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.946 116.3 42.8 -62.9 -49.7 -18.8 34.6 50.0 52 59 A G H X S+ 0 0 0 -4,-3.2 4,-2.7 -34,-0.2 5,-0.2 0.891 113.4 50.5 -68.6 -40.6 -18.6 34.2 46.3 53 60 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 -35,-0.6 145,-0.5 0.917 113.5 47.0 -64.2 -40.1 -21.4 36.5 45.4 54 61 A H H X S+ 0 0 2 -4,-2.2 4,-1.4 -5,-0.3 144,-0.3 0.963 113.9 46.5 -65.0 -51.8 -19.9 39.2 47.7 55 62 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.4 0.924 113.7 48.5 -57.6 -46.0 -16.3 38.8 46.3 56 63 A A H >X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.8 0.902 107.2 56.6 -63.5 -37.8 -17.6 38.8 42.6 57 64 A S H 3X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.811 96.1 63.7 -67.1 -30.5 -19.6 41.9 43.2 58 65 A I H 3< S+ 0 0 9 -4,-1.4 12,-1.9 -3,-0.4 -1,-0.3 0.857 118.2 27.0 -60.7 -34.8 -16.6 43.9 44.5 59 66 A I H << S+ 0 0 0 -4,-0.9 12,-2.2 -3,-0.8 -2,-0.2 0.878 134.1 29.3 -91.2 -48.0 -15.1 43.6 41.0 60 67 A F H < S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.441 77.8 125.7-105.8 -1.8 -18.1 43.2 38.6 61 68 A G < - 0 0 0 -4,-2.0 8,-2.4 -5,-0.3 -35,-0.2 -0.315 61.9-118.2 -55.1 141.6 -20.9 45.1 40.3 62 69 A Q > - 0 0 23 -37,-2.6 3,-1.7 6,-0.2 5,-0.3 -0.475 26.8 -90.5 -93.7 154.4 -22.2 47.6 37.8 63 70 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.295 110.0 16.9 -59.7 143.4 -22.3 51.3 38.0 64 71 A E T 3 S+ 0 0 199 1,-0.3 2,-0.2 2,-0.0 -2,-0.0 0.535 103.0 110.8 71.3 7.4 -25.5 52.9 39.5 65 72 A T S < S- 0 0 38 -3,-1.7 -1,-0.3 -40,-0.1 -40,-0.1 -0.433 91.6 -90.2 -95.8-179.3 -26.5 49.5 41.1 66 73 A S S S+ 0 0 59 1,-0.2 -5,-0.0 -2,-0.2 131,-0.0 0.651 121.4 39.0 -66.9 -17.7 -26.4 48.7 44.8 67 74 A V S S- 0 0 2 -5,-0.3 2,-0.4 -7,-0.0 -1,-0.2 -0.769 76.2-159.0-134.9 89.8 -22.8 47.5 44.5 68 75 A P - 0 0 82 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.561 21.1-146.8 -67.6 125.6 -20.6 49.6 42.2 69 76 A G - 0 0 18 -8,-2.4 -10,-0.3 -2,-0.4 -9,-0.2 -0.435 15.3-124.3 -93.3 167.9 -17.7 47.3 41.2 70 77 A I S S+ 0 0 28 -12,-1.9 -11,-0.2 1,-0.2 -10,-0.1 0.845 105.0 19.2 -80.0 -36.1 -14.0 48.2 40.5 71 78 A A S > S+ 0 0 0 -12,-2.2 3,-1.6 1,-0.1 -1,-0.2 -0.455 70.7 160.0-135.3 61.6 -13.7 46.7 37.0 72 79 A P T 3 S+ 0 0 6 0, 0.0 -42,-0.4 0, 0.0 -66,-0.2 0.667 72.7 52.3 -64.2 -21.0 -17.3 46.4 35.7 73 80 A Q T 3 S+ 0 0 101 -68,-2.8 -67,-0.2 -44,-0.1 -63,-0.1 0.504 85.9 99.6 -94.6 -5.1 -16.4 46.2 32.0 74 81 A C S < S- 0 0 0 -3,-1.6 -44,-0.5 -69,-0.5 2,-0.4 -0.406 84.5-101.7 -74.1 158.9 -13.8 43.4 32.3 75 82 A R E -ac 11 30A 68 -65,-2.2 -63,-2.8 -68,-0.5 2,-0.4 -0.702 36.8-146.1 -82.3 128.7 -14.8 39.9 31.4 76 83 A G E -ac 12 31A 0 -46,-2.9 -44,-2.3 -2,-0.4 2,-0.6 -0.830 10.6-163.0-101.4 134.0 -15.5 37.7 34.4 77 84 A L E -ac 13 32A 3 -65,-2.6 -63,-2.9 -2,-0.4 2,-0.7 -0.967 11.4-157.2-113.1 110.5 -14.8 34.0 34.6 78 85 A I E +ac 14 33A 2 -46,-3.3 -44,-3.2 -2,-0.6 -63,-0.2 -0.832 15.8 175.0 -94.9 119.2 -16.7 32.4 37.5 79 86 A V E -a 15 0A 0 -65,-2.8 -63,-0.5 -2,-0.7 2,-0.3 -0.818 19.3-151.5-126.0 85.9 -15.0 29.1 38.6 80 87 A P E +a 16 0A 1 0, 0.0 -42,-0.6 0, 0.0 -44,-0.4 -0.445 35.7 147.7 -70.2 125.8 -16.8 27.8 41.7 81 88 A I + 0 0 8 -65,-2.8 2,-0.2 -2,-0.3 -64,-0.2 0.580 51.7 77.5-123.3 -31.5 -14.5 25.8 43.9 82 89 A F S S- 0 0 23 -66,-2.1 2,-0.4 -34,-0.1 -66,-0.1 -0.585 72.0-145.4 -85.1 149.2 -15.8 26.5 47.4 83 90 A S - 0 0 25 4,-0.3 -36,-0.1 -2,-0.2 -66,-0.1 -0.900 23.3-139.2-123.7 144.5 -19.0 24.6 48.4 84 91 A D S S+ 0 0 45 -2,-0.4 -37,-0.3 -37,-0.1 -1,-0.1 0.760 81.8 98.7 -66.8 -25.7 -22.0 25.4 50.5 85 92 A D S S- 0 0 82 1,-0.1 -2,-0.2 -39,-0.1 -37,-0.0 -0.241 91.2-111.3 -54.6 150.9 -21.7 21.8 51.8 86 93 A R S S+ 0 0 201 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 0.743 87.5 100.8 -57.4 -28.3 -20.0 21.4 55.2 87 94 A R S S- 0 0 143 1,-0.1 -4,-0.3 0, 0.0 2,-0.1 -0.339 73.1-125.3 -69.2 140.5 -17.0 19.7 53.7 88 95 A R - 0 0 150 -6,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.397 22.4-123.2 -69.6 158.4 -13.8 21.7 53.2 89 96 A I - 0 0 29 -2,-0.1 2,-0.2 -6,-0.1 -7,-0.1 -0.697 27.4-126.2 -99.6 160.8 -12.3 21.7 49.7 90 97 A T > - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.495 22.9-105.4-103.7 169.8 -8.7 20.6 49.2 91 98 A Q H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.817 123.3 57.4 -62.1 -29.8 -5.5 22.1 47.7 92 99 A L H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 104.1 50.9 -66.5 -40.7 -6.1 19.7 44.8 93 100 A D H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.886 111.2 49.0 -61.7 -42.0 -9.6 21.2 44.3 94 101 A L H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 109.4 52.1 -59.4 -47.4 -8.0 24.7 44.2 95 102 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.900 107.4 52.3 -60.0 -41.2 -5.4 23.5 41.7 96 103 A R H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.897 110.0 48.5 -61.0 -41.7 -8.1 22.2 39.4 97 104 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.875 109.7 52.5 -65.8 -40.5 -9.9 25.5 39.5 98 105 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.946 110.0 47.5 -61.9 -47.4 -6.6 27.4 38.8 99 106 A E H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.901 110.0 54.1 -61.4 -38.8 -6.0 25.2 35.7 100 107 A R H X S+ 0 0 90 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.930 111.7 45.2 -58.2 -45.9 -9.6 25.7 34.6 101 108 A A H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.3 0.920 112.4 49.1 -67.1 -46.3 -9.1 29.5 34.7 102 109 A V H ><5S+ 0 0 16 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.935 111.3 50.8 -57.8 -46.2 -5.7 29.4 33.0 103 110 A N H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.9 56.1 -66.1 -22.8 -7.1 27.3 30.2 104 111 A A T 3<5S- 0 0 35 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.326 124.4-102.2 -89.3 5.2 -10.0 29.7 29.8 105 112 A G T < 5 + 0 0 27 -3,-1.8 -94,-0.3 1,-0.2 -3,-0.2 0.728 56.0 174.6 83.2 25.4 -7.6 32.6 29.2 106 113 A A < - 0 0 6 -5,-2.2 -1,-0.2 1,-0.2 -94,-0.2 -0.354 21.4-170.4 -60.3 139.6 -7.7 34.3 32.6 107 114 A H S S+ 0 0 27 -96,-2.9 32,-2.7 1,-0.3 2,-0.4 0.711 80.6 26.8 -91.1 -34.7 -5.2 37.2 33.1 108 115 A I E -bd 12 139A 0 -97,-1.6 -95,-3.0 30,-0.2 2,-0.5 -0.984 66.4-160.8-132.2 137.6 -5.9 37.5 36.8 109 116 A I E -bd 13 140A 0 30,-2.7 32,-2.8 -2,-0.4 2,-0.6 -0.984 10.8-155.5-121.3 113.5 -7.1 34.7 39.2 110 117 A N E +bd 14 141A 0 -97,-3.1 -95,-2.4 -2,-0.5 2,-0.5 -0.823 13.0 179.8 -89.8 121.3 -8.7 35.9 42.4 111 118 A I E - d 0 142A 0 30,-3.0 32,-2.0 -2,-0.6 2,-1.8 -0.852 7.8-176.6-124.3 95.2 -8.5 33.4 45.3 112 119 A S + 0 0 2 -2,-0.5 2,-0.3 -97,-0.5 99,-0.1 -0.453 65.7 52.2 -85.3 59.8 -10.1 34.8 48.4 113 120 A G + 0 0 18 -2,-1.8 30,-0.3 30,-0.1 2,-0.3 -0.967 52.9 148.9-173.7-179.4 -9.2 31.8 50.4 114 121 A G - 0 0 36 -2,-0.3 2,-0.4 41,-0.1 30,-0.1 -0.974 39.1 -88.1 161.9-170.8 -6.3 29.5 51.4 115 122 A E E -J 154 0B 66 39,-2.0 39,-2.1 -2,-0.3 2,-0.1 -0.997 35.4-112.0-135.6 138.1 -5.0 27.2 54.1 116 123 A L E -J 153 0B 83 -2,-0.4 2,-0.2 37,-0.2 37,-0.2 -0.456 41.0-178.7 -67.8 141.6 -2.7 28.0 57.0 117 124 A T E -J 152 0B 14 35,-2.2 35,-0.6 -2,-0.1 5,-0.1 -0.801 37.3-122.2-134.4 168.5 0.8 26.4 56.8 118 125 A D S S- 0 0 128 -2,-0.2 -1,-0.1 33,-0.1 34,-0.1 0.898 106.4 -4.3 -75.5 -45.6 4.0 26.2 58.8 119 126 A F S S- 0 0 175 32,-0.1 34,-0.1 61,-0.0 -1,-0.1 0.099 111.6 -79.7-138.8 14.3 6.3 27.8 56.2 120 127 A G S S+ 0 0 14 32,-0.3 2,-0.1 1,-0.2 33,-0.1 0.660 77.6 158.3 82.5 17.1 4.3 28.3 53.0 121 128 A E - 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0 0 1 -3,-1.7 2,-0.7 -6,-0.1 -1,-0.3 -0.517 55.6-133.1 -79.9 149.8 1.6 35.3 43.8 162 169 A L E -e 141 0A 0 -22,-2.6 -20,-2.5 -2,-0.2 2,-0.3 -0.953 24.4-155.9-102.2 109.0 0.3 38.7 45.0 163 170 A A E -ef 142 187A 0 23,-2.4 25,-2.2 -2,-0.7 2,-0.5 -0.641 4.3-152.2 -85.0 145.4 -0.7 38.3 48.6 164 171 A V E -ef 143 188A 0 -22,-2.2 -20,-2.9 -2,-0.3 -19,-0.4 -0.966 12.7-177.4-129.3 119.7 -3.3 40.7 50.1 165 172 A G E - f 0 189A 0 23,-2.5 25,-2.5 -2,-0.5 2,-0.4 -0.529 29.0-104.4 -99.1 176.0 -3.7 41.7 53.7 166 173 A A E + f 0 190A 0 23,-0.2 8,-2.8 -2,-0.2 2,-0.3 -0.861 31.1 178.4-112.7 135.7 -6.3 44.0 55.2 167 174 A M E -Gf 173 191A 16 23,-2.2 25,-2.5 -2,-0.4 26,-0.5 -0.863 26.7-116.6-123.9 161.8 -6.1 47.6 56.4 168 175 A D > - 0 0 29 4,-2.5 3,-1.8 -2,-0.3 -1,-0.1 -0.262 44.4 -87.5 -86.1-179.1 -8.7 50.0 57.8 169 176 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.559 127.0 57.7 -73.0 -7.6 -9.8 53.3 56.2 170 177 A H T 3 S- 0 0 156 2,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.331 120.7-105.2 -96.6 2.0 -6.9 55.1 57.9 171 178 A G S < S+ 0 0 10 -3,-1.8 -2,-0.1 1,-0.3 18,-0.1 0.648 76.2 135.4 83.8 17.4 -4.3 52.9 56.3 172 179 A H - 0 0 109 79,-0.1 -4,-2.5 1,-0.0 -1,-0.3 -0.828 60.8-109.7 -97.6 136.2 -3.5 50.9 59.5 173 180 A P B -G 167 0A 29 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.319 34.8-115.1 -60.5 143.5 -3.2 47.1 59.2 174 181 A L - 0 0 24 -8,-2.8 3,-0.3 1,-0.1 -8,-0.1 -0.502 15.4-125.9 -72.8 152.0 -6.0 45.2 60.8 175 182 A D S S+ 0 0 124 1,-0.3 2,-1.7 -2,-0.2 -1,-0.1 0.904 106.9 62.4 -61.5 -41.3 -5.1 43.0 63.8 176 183 A F S S+ 0 0 142 -28,-0.1 2,-0.3 2,-0.0 34,-0.3 -0.465 83.4 95.7 -91.0 66.2 -6.8 40.1 62.0 177 184 A S S S- 0 0 6 -2,-1.7 -31,-0.3 -3,-0.3 -12,-0.1 -0.948 74.0-116.0-155.4 128.6 -4.5 39.9 59.0 178 185 A N - 0 0 1 -33,-2.5 -28,-0.2 -2,-0.3 -34,-0.1 -0.383 24.1-177.7 -76.7 151.4 -1.4 37.7 58.6 179 186 A W + 0 0 65 -30,-2.6 -29,-0.2 -2,-0.1 -27,-0.1 -0.083 18.0 159.4-143.0 35.1 2.1 39.0 58.3 180 187 A G >> - 0 0 1 -29,-1.9 3,-1.4 -31,-0.3 4,-0.5 -0.115 56.5 -94.8 -60.5 163.3 4.5 36.1 57.7 181 188 A S H >> S+ 0 0 74 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.811 119.9 57.3 -56.3 -41.4 7.9 36.7 56.2 182 189 A T H >> S+ 0 0 35 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.818 98.8 62.3 -63.5 -28.1 7.0 36.0 52.6 183 190 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.3 75,-0.6 0.686 89.2 68.4 -70.7 -19.2 4.3 38.6 52.6 184 191 A E H << S+ 0 0 105 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.780 111.4 34.6 -66.8 -25.8 6.9 41.3 53.3 185 192 A Q H << S+ 0 0 121 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.768 136.7 17.8 -95.8 -34.4 8.1 40.7 49.7 186 193 A Q H < S+ 0 0 17 -4,-1.7 -23,-2.4 -24,-0.0 2,-0.4 0.250 102.1 93.1-128.5 14.0 4.9 39.9 47.9 187 194 A G E < -f 163 0A 0 -4,-1.9 71,-2.5 -25,-0.2 2,-0.3 -0.856 43.8-174.9-112.3 146.7 2.1 41.1 50.0 188 195 A I E -f 164 0A 0 -25,-2.2 -23,-2.5 -2,-0.4 2,-0.4 -0.963 24.7-120.0-131.8 153.7 0.2 44.4 50.0 189 196 A L E +fh 165 260A 2 70,-2.6 72,-3.1 67,-0.4 -23,-0.2 -0.773 32.7 174.5 -91.3 136.2 -2.5 45.9 52.3 190 197 A A E -f 166 0A 0 -25,-2.5 -23,-2.2 -2,-0.4 23,-0.1 -0.895 47.1 -70.2-133.5 163.9 -5.8 46.8 50.8 191 198 A P E +f 167 0A 35 0, 0.0 25,-0.2 0, 0.0 -23,-0.2 -0.337 55.9 160.9 -58.0 129.1 -9.1 48.0 52.4 192 199 A G + 0 0 0 -25,-2.5 17,-2.6 21,-0.1 2,-0.5 0.226 36.9 97.1-136.2 13.8 -10.6 45.1 54.3 193 200 A E S S- 0 0 79 -26,-0.5 15,-0.2 15,-0.2 14,-0.1 -0.944 99.2 -16.8-113.2 124.4 -13.0 46.6 56.8 194 201 A D S S- 0 0 90 -2,-0.5 2,-0.4 1,-0.2 14,-0.2 0.899 78.9-176.2 54.1 51.2 -16.8 46.8 56.1 195 202 A I E -K 207 0C 23 12,-3.0 12,-2.2 -3,-0.2 -1,-0.2 -0.671 23.9-122.8 -83.4 125.7 -16.5 46.3 52.4 196 203 A L E +K 206 0C 48 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.437 45.2 149.2 -70.6 134.6 -19.8 46.5 50.5 197 204 A G E -K 205 0C 0 8,-1.9 8,-2.4 -2,-0.2 -143,-0.2 -0.976 43.1 -83.8-157.5 170.7 -20.9 43.5 48.4 198 205 A A E -K 204 0C 1 -145,-0.5 6,-0.3 -144,-0.3 -141,-0.1 -0.460 28.6-142.2 -80.2 149.2 -23.9 41.6 47.2 199 206 A K > - 0 0 87 4,-2.2 3,-2.2 -2,-0.1 -149,-0.1 -0.924 31.4-104.8-107.0 135.5 -25.9 38.9 49.0 200 207 A P T 3 S+ 0 0 14 0, 0.0 -150,-0.1 0, 0.0 -179,-0.0 -0.344 109.0 23.2 -59.9 135.5 -27.3 35.9 47.2 201 208 A G T 3 S- 0 0 67 -181,-0.1 2,-0.1 -156,-0.0 -157,-0.1 0.345 133.2 -52.5 87.4 -6.4 -31.0 36.3 46.6 202 209 A G S < S+ 0 0 30 -3,-2.2 2,-0.1 1,-0.2 -179,-0.1 -0.263 92.0 63.3 124.4 157.7 -30.8 40.1 47.0 203 210 A G - 0 0 40 -2,-0.1 -4,-2.2 -5,-0.1 2,-0.3 -0.254 63.9 -99.4 90.5 179.3 -29.6 42.9 49.2 204 211 A T E -K 198 0C 55 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.906 25.3-168.0-135.8 165.5 -26.1 43.9 50.2 205 212 A E E -K 197 0C 98 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.5 -0.981 21.6-127.4-150.8 151.0 -23.9 43.5 53.2 206 213 A R E -K 196 0C 148 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.935 34.5-178.8-103.4 123.5 -20.6 45.0 54.5 207 214 A L E -K 195 0C 42 -12,-2.2 -12,-3.0 -2,-0.5 2,-0.4 -0.843 15.0-144.7-123.4 156.2 -18.0 42.3 55.4 208 215 A S + 0 0 58 -2,-0.3 -15,-0.2 -14,-0.2 2,-0.2 -0.918 43.7 78.6-124.0 146.8 -14.5 42.4 56.8 209 216 A G S >> S- 0 0 6 -17,-2.6 3,-1.6 -2,-0.4 4,-1.4 -0.645 83.6 -77.1 143.0 165.7 -11.4 40.3 56.1 210 217 A T H 3> S+ 0 0 4 -34,-0.3 4,-2.0 1,-0.3 -66,-0.1 0.781 120.0 69.5 -63.6 -25.0 -8.6 39.6 53.8 211 218 A A H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -99,-0.1 0.729 104.7 41.2 -60.8 -24.7 -11.1 37.8 51.5 212 219 A F H <> S+ 0 0 15 -3,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.722 110.8 54.4-100.1 -25.0 -12.7 41.1 50.7 213 220 A A H >X S+ 0 0 0 -4,-1.4 4,-1.7 -21,-0.2 3,-0.6 0.860 99.3 67.0 -68.0 -37.9 -9.4 43.1 50.4 214 221 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.911 98.1 48.0 -53.5 -51.9 -8.2 40.6 47.8 215 222 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.754 104.4 61.3 -66.3 -22.8 -10.8 41.4 45.1 216 223 A I H S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.939 108.2 49.5 -57.3 -46.0 -1.8 48.6 29.1 229 236 A V H ><5S+ 0 0 38 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.922 108.7 52.4 -58.7 -45.3 -4.2 47.5 26.3 230 237 A R H 3<5S+ 0 0 185 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 107.4 52.9 -58.6 -37.8 -5.3 51.2 25.8 231 238 A R T 3<5S- 0 0 111 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.499 122.1-107.1 -76.9 -3.5 -1.6 52.1 25.5 232 239 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.616 76.5 135.1 85.4 16.4 -1.1 49.4 22.8 233 240 A E < - 0 0 61 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.625 64.1-107.5 -93.9 152.6 0.9 47.1 25.1 234 241 A T - 0 0 122 -2,-0.2 -1,-0.1 -3,-0.1 -5,-0.0 -0.619 49.7-100.4 -69.4 131.6 0.5 43.4 25.4 235 242 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.355 41.2-169.3 -58.1 138.0 -1.2 42.8 28.8 236 243 A D > - 0 0 53 1,-0.1 4,-2.1 -3,-0.0 3,-0.3 -0.809 11.6-177.8-136.3 86.7 1.5 41.8 31.3 237 244 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.862 84.7 52.1 -58.3 -40.1 0.0 40.5 34.6 238 245 A Q H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.856 108.6 51.9 -67.6 -31.3 3.4 39.9 36.3 239 246 A K H > S+ 0 0 65 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.895 106.8 53.7 -66.3 -39.8 4.4 43.5 35.4 240 247 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.918 106.7 51.9 -62.4 -41.3 1.2 44.7 37.0 241 248 A R H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.933 109.6 49.6 -54.6 -45.7 2.1 42.8 40.2 242 249 A Q H X S+ 0 0 81 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.902 110.4 50.4 -63.6 -41.1 5.6 44.5 40.1 243 250 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.904 110.9 48.5 -62.8 -42.3 3.9 48.0 39.7 244 251 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 18,-0.2 0.900 115.0 44.9 -65.5 -43.0 1.6 47.4 42.6 245 252 A L H < S+ 0 0 26 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.907 114.3 48.5 -67.3 -41.1 4.4 46.2 44.8 246 253 A Q H < S+ 0 0 67 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.0 45.1 -68.8 -36.7 6.8 49.0 43.8 247 254 A S H < S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.569 83.4 124.1 -85.2 -7.3 4.2 51.8 44.3 248 255 A A < - 0 0 14 -4,-0.7 13,-0.2 -3,-0.4 -3,-0.1 -0.179 59.3-126.1 -58.3 142.5 2.9 50.4 47.7 249 256 A L B -I 260 0A 62 11,-2.5 11,-2.8 1,-0.1 -1,-0.1 -0.706 15.3-111.9 -98.1 140.6 3.2 53.1 50.4 250 257 A P 0 0 98 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 -0.170 360.0 360.0 -57.1 157.6 4.8 52.8 53.9 251 258 A b 0 0 84 2,-0.1 -79,-0.1 8,-0.0 5,-0.1 -0.664 360.0 360.0 -92.1 360.0 2.7 52.8 57.0 252 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 253 266 A A > 0 0 112 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-152.8 7.1 47.8 60.5 254 267 A R G > + 0 0 161 1,-0.3 3,-1.5 2,-0.2 0, 0.0 0.717 360.0 62.3 -62.3 -29.8 6.3 44.2 59.6 255 268 A R G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -82,-0.1 3,-0.1 0.541 89.3 72.2 -80.5 -0.7 2.6 44.2 59.5 256 269 A b G X S- 0 0 9 -3,-1.8 3,-1.6 1,-0.3 -67,-0.4 0.600 85.4-162.9 -80.5 -11.1 2.7 46.8 56.7 257 270 A L T < - 0 0 15 -3,-1.5 -1,-0.3 1,-0.3 -73,-0.2 -0.383 67.2 -27.8 59.4-140.3 3.8 43.9 54.4 258 271 A A T 3 S- 0 0 36 -71,-2.5 -1,-0.3 -75,-0.6 2,-0.2 0.622 118.8 -84.1 -75.1 -12.7 5.4 45.5 51.2 259 272 A G < - 0 0 1 -3,-1.6 -70,-2.6 -72,-0.3 2,-0.3 -0.785 56.1 -45.9 139.0-179.6 3.1 48.5 51.8 260 273 A R B -hI 189 249A 69 -11,-2.8 -11,-2.5 -2,-0.2 -70,-0.2 -0.696 64.5 -93.3 -88.4 139.2 -0.3 49.9 51.3 261 274 A L - 0 0 22 -72,-3.1 2,-0.4 -2,-0.3 -1,-0.1 -0.203 40.7-171.8 -49.6 129.4 -2.2 49.7 48.0 262 275 A N > + 0 0 28 -18,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.803 10.2 175.5-133.4 88.0 -1.5 52.9 46.1 263 276 A V H > S+ 0 0 26 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.922 81.1 48.0 -68.0 -45.3 -3.6 53.1 43.0 264 277 A S H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 113.4 49.3 -61.6 -42.2 -2.6 56.5 41.8 265 278 A G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 109.1 51.6 -62.2 -42.0 1.1 55.7 42.3 266 279 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 112.1 46.4 -62.2 -43.8 0.7 52.4 40.3 267 280 A F H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.911 110.3 53.0 -66.0 -42.8 -0.9 54.2 37.4 268 281 A T H X S+ 0 0 97 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 110.9 47.3 -59.4 -41.2 1.7 57.0 37.5 269 282 A L H X>S+ 0 0 29 -4,-2.2 4,-1.6 2,-0.2 5,-0.7 0.919 113.1 48.2 -66.9 -42.9 4.5 54.4 37.3 270 283 A L H <5S+ 0 0 4 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.941 113.6 47.4 -60.4 -46.3 2.8 52.5 34.5 271 284 A K H <5S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.5 47.0 -68.7 -33.3 2.2 55.8 32.5 272 285 A G H <5S- 0 0 55 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.750 94.0-139.0 -80.0 -24.2 5.8 57.0 33.0 273 286 A G T <5 + 0 0 63 -4,-1.6 -3,-0.1 -3,-0.2 -4,-0.1 0.573 67.6 120.5 77.5 11.3 7.5 53.8 32.0 274 287 A D < + 0 0 100 -5,-0.7 -4,-0.1 2,-0.0 -5,-0.1 0.024 23.6 146.0-110.2 27.0 9.9 54.4 34.8 275 288 A M 0 0 65 -6,-0.4 -32,-0.1 1,-0.1 -33,-0.0 -0.327 360.0 360.0 -55.0 142.7 9.6 51.4 37.1 276 289 A S 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.222 360.0 360.0-133.8 360.0 13.0 50.7 38.6