==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ZYMOGEN (SERINE PROTEINASE) 26-OCT-81 2TGT . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WALTER,W.STEIGEMANN,T.P.SINGH,H.BARTUNIK,W.BODE,R.HUBER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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+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 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 16 A I 0 0 168 0, 0.0 2,-1.5 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 109.3 58.4 3.8 51.7 2 17 A V - 0 0 127 136,-0.1 2,-0.4 2,-0.1 136,-0.0 -0.634 360.0 -11.1 -87.6 80.6 56.1 4.6 54.5 3 18 A G S S+ 0 0 9 -2,-1.5 136,-0.3 167,-0.0 134,-0.1 -0.997 115.5 31.8 137.8-141.0 54.2 7.6 53.0 4 19 A G + 0 0 62 -2,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.340 69.1 161.7 -56.9 121.9 54.6 9.7 50.0 5 20 A Y E -A 137 0A 62 132,-2.7 132,-3.1 -2,-0.1 2,-0.6 -0.925 47.2 -90.8-138.3 165.8 56.2 7.8 47.1 6 21 A T E -A 136 0A 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.719 33.0-153.2 -80.4 115.5 56.7 7.9 43.4 7 22 A a - 0 0 20 128,-2.3 -1,-0.2 -2,-0.6 129,-0.1 0.873 36.6-113.3 -52.5 -50.9 53.7 6.1 41.9 8 23 A G > - 0 0 24 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.008 47.9 -55.8 109.8 137.9 55.4 5.1 38.7 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.319 118.6 -12.1 -53.4 122.6 54.5 6.4 35.2 10 25 A N T 3 S+ 0 0 27 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.525 89.4 130.4 63.9 21.5 50.9 5.8 34.4 11 26 A T S < S+ 0 0 82 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.686 77.1 45.7 -70.6 -17.0 50.2 3.5 37.3 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.6 1,-0.1 -1,-0.2 -0.835 73.6 175.5-125.7 73.8 47.2 5.6 38.1 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.9 0, 0.0 38,-0.3 0.525 72.5 60.7 -71.2 -10.4 45.6 6.0 34.7 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.442 79.5 112.1 -89.0 -11.2 42.5 7.9 35.9 15 30 A Q E < -I 28 0B 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.3 -0.584 48.4-170.8 -71.3 124.4 44.6 10.7 37.3 16 31 A V E -I 27 0B 0 11,-2.7 11,-1.3 -2,-0.4 2,-0.5 -0.867 16.3-144.3-118.2 147.0 44.2 14.0 35.5 17 32 A S E -IJ 26 49B 1 32,-2.2 32,-2.9 -2,-0.3 2,-0.5 -0.962 13.4-144.1-106.8 126.7 46.2 17.3 35.7 18 33 A L E -IJ 25 48B 0 7,-3.3 6,-2.6 -2,-0.5 7,-1.0 -0.830 21.9-164.7 -92.9 122.9 44.2 20.5 35.2 19 34 A N E +IJ 23 47B 25 28,-2.7 28,-2.8 -2,-0.5 4,-0.2 -0.978 30.0 165.6-119.3 125.2 46.3 23.1 33.3 20 37 A S S S- 0 0 36 2,-2.4 3,-0.1 -2,-0.5 26,-0.1 -0.341 96.3 -50.9-120.4 33.3 45.8 26.9 33.0 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.142 140.0 31.8 106.2 -12.2 49.3 27.7 31.7 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.4 0, 0.0 2,-0.5 -0.918 103.6 -83.4-158.2 164.4 50.5 25.7 34.7 23 40 A H E +I 19 0B 42 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.673 51.9 160.4 -77.0 122.7 49.3 22.7 36.7 24 41 A F E - 0 0 39 -6,-2.6 2,-0.3 -2,-0.5 153,-0.2 0.641 57.2 -1.3-117.8 -22.2 46.9 24.1 39.3 25 42 A b E -I 18 0B 5 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.5 -0.963 61.3-120.8-159.2 163.7 44.8 21.1 40.5 26 43 A G E +I 17 0B 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.295 27.4 174.1 -99.6-177.7 44.2 17.4 40.0 27 44 A G E -I 16 0B 0 -11,-1.3 -11,-2.7 10,-0.1 2,-0.4 -0.951 24.9-113.5-176.4 170.7 41.1 15.5 38.9 28 45 A S E -IK 15 36B 3 8,-2.6 8,-2.6 -2,-0.3 2,-0.4 -0.996 19.6-128.5-127.4 137.3 39.8 12.0 38.0 29 46 A L E + K 0 35B 0 -15,-2.5 74,-2.9 -2,-0.4 6,-0.3 -0.643 27.3 173.4 -82.5 120.8 38.4 10.6 34.8 30 47 A I E - 0 0 20 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.699 69.8 -9.6-106.3 -18.1 35.0 9.0 35.4 31 48 A N E > S- K 0 34B 51 3,-1.5 3,-1.1 70,-0.1 -1,-0.5 -0.897 88.4 -80.2-165.6 172.9 34.2 8.3 31.8 32 49 A S T 3 S+ 0 0 36 1,-0.3 62,-3.2 -2,-0.3 3,-0.1 0.612 128.8 31.0 -58.8 -13.9 35.6 9.3 28.4 33 50 A Q T 3 S+ 0 0 84 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.451 111.1 71.0-117.8 -11.3 34.0 12.7 28.4 34 51 A W E < -KL 31 89B 5 -3,-1.1 -4,-3.1 55,-0.2 -3,-1.5 -0.976 46.1-175.2-126.9 143.4 33.9 13.6 32.1 35 52 A V E -KL 29 88B 0 53,-2.7 53,-3.3 -2,-0.4 2,-0.4 -0.954 13.0-150.8-122.3 135.8 36.2 14.6 35.0 36 53 A V E +KL 28 87B 3 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.2 -0.902 29.7 147.4-106.1 139.7 35.4 15.1 38.7 37 54 A S E - L 0 86B 0 49,-2.9 49,-2.5 -2,-0.4 2,-0.3 -0.764 50.5 -65.3-144.0-170.5 37.5 17.6 40.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.2 47,-0.3 -0.626 33.4-132.3 -87.0 146.8 37.1 19.9 43.6 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.820 106.6 67.1 -68.6 -26.1 34.8 23.0 43.3 40 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.610 91.8 64.7 -70.3 -5.4 37.6 25.1 44.8 41 58 A b G < S+ 0 0 2 -3,-1.3 -1,-0.3 -15,-0.0 2,-0.2 0.093 73.4 141.3 -96.2 12.4 39.5 24.3 41.6 42 59 A Y < + 0 0 147 -3,-1.8 2,-0.3 -5,-0.0 -3,-0.1 -0.453 21.6 150.4 -64.6 128.1 36.9 26.2 39.5 43 60 A K - 0 0 61 -2,-0.2 3,-0.4 3,-0.0 2,-0.1 -0.941 43.6-112.0-156.4 147.7 38.6 28.2 36.7 44 61 A S S S+ 0 0 109 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.405 93.0 19.0 -78.3 153.4 38.0 29.4 33.2 45 62 A G S S- 0 0 63 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.864 78.5-179.0 48.3 58.9 39.9 28.0 30.2 46 63 A I - 0 0 7 -3,-0.4 21,-2.8 21,-0.1 2,-0.5 -0.643 19.4-157.1 -78.2 140.3 41.0 24.7 31.6 47 64 A Q E -JM 19 66B 51 -28,-2.8 -28,-2.7 -2,-0.4 2,-0.4 -0.974 15.3-146.5-109.1 120.2 43.1 22.3 29.6 48 65 A V E -JM 18 65B 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.6 -0.711 10.4-155.0 -86.2 126.5 42.7 18.7 31.0 49 66 A R E -JM 17 64B 50 -32,-2.9 -32,-2.2 -2,-0.4 3,-0.3 -0.957 12.6-175.2-115.4 113.2 45.9 16.7 30.7 50 67 A L E + M 0 63B 2 13,-3.3 13,-2.4 -2,-0.6 -34,-0.1 -0.691 61.9 28.8-103.8 155.8 45.6 12.9 30.6 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 48,-0.3 2,-0.3 0.582 85.2 154.0 67.5 20.8 48.4 10.2 30.5 52 70 A E + 0 0 10 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.3 -0.535 22.6 152.2 -73.3 148.9 50.7 12.4 32.4 53 71 A D S S+ 0 0 13 1,-0.5 2,-0.7 -2,-0.3 -1,-0.2 0.547 79.4 31.1-124.0 -77.9 53.6 11.5 34.6 54 72 A N S > S- 0 0 30 80,-0.2 3,-0.7 3,-0.2 -1,-0.5 -0.742 73.2-160.6 -78.6 111.2 56.2 14.2 34.5 55 73 A I T 3 S+ 0 0 28 78,-2.0 -1,-0.2 -2,-0.7 79,-0.1 0.696 87.8 50.9 -75.7 -11.1 54.0 17.3 34.0 56 74 A N T 3 S+ 0 0 121 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.576 106.0 64.4 -93.9 -14.0 57.0 19.4 32.7 57 75 A V S < S- 0 0 73 -3,-0.7 2,-0.8 76,-0.2 -4,-0.3 -0.970 78.0-128.9-119.4 133.4 58.1 16.8 30.1 58 76 A V + 0 0 122 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.631 35.5 169.6 -74.8 98.1 56.4 15.4 26.9 59 77 A E - 0 0 93 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.584 49.5-106.8-102.9 -2.0 56.9 11.7 27.6 60 78 A G S S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.228 100.0 79.7 108.1 -17.4 54.7 10.3 24.9 61 79 A N + 0 0 45 -10,-0.3 2,-0.2 2,-0.0 -9,-0.1 0.308 66.6 121.6-102.7 2.6 51.5 9.0 26.6 62 80 A E - 0 0 33 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.3 -0.445 41.2-166.8 -68.8 153.8 49.7 12.3 27.0 63 81 A Q E -M 50 0B 42 -13,-2.4 -13,-3.3 -2,-0.2 2,-0.5 -0.999 10.1-159.7-132.0 123.5 46.3 13.5 25.8 64 82 A F E +M 49 0B 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.969 18.0 170.7-109.4 112.1 45.6 17.3 26.0 65 83 A I E -M 48 0B 19 -17,-2.6 -17,-3.1 -2,-0.5 2,-0.1 -0.992 29.3-127.3-130.7 123.8 41.9 18.2 25.9 66 84 A S E -M 47 0B 61 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.416 28.5-117.7 -64.1 140.2 40.1 21.6 26.6 67 85 A A E -N 90 0B 23 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.548 24.5-171.7 -75.0 135.0 37.3 21.7 29.1 68 86 A S E + 0 0 65 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.609 67.2 11.6 -93.7 -31.8 34.0 22.7 27.5 69 87 A K E -N 89 0B 84 20,-1.1 20,-2.2 2,-0.0 -1,-0.4 -0.971 53.7-162.2-143.9 151.4 32.0 23.0 30.7 70 88 A S E -N 88 0B 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.978 6.2-168.8-137.1 143.2 32.3 23.1 34.4 71 89 A I E -N 87 0B 40 16,-2.6 16,-2.5 -2,-0.4 2,-0.3 -0.939 7.8-157.8-133.5 105.5 29.5 22.5 36.9 72 90 A V E -N 86 0B 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.642 39.4 -91.9 -82.2 141.1 30.1 23.4 40.5 73 91 A H > - 0 0 23 12,-2.1 3,-2.2 10,-0.3 -1,-0.1 -0.347 34.7-124.3 -54.9 129.9 27.8 21.6 43.0 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.670 109.4 44.5 -56.6 -21.4 24.7 23.8 43.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.241 78.8 142.4-112.3 16.3 25.4 23.8 47.4 76 94 A Y < - 0 0 55 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.316 32.3-164.0 -56.9 125.0 29.1 24.4 47.3 77 95 A N > - 0 0 63 5,-2.6 4,-1.5 1,-0.1 5,-0.4 -0.975 8.7-163.4-118.6 111.4 30.2 26.7 50.2 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.522 86.5 56.1 -77.6 -0.9 33.7 28.2 49.7 79 97 A N T 4 S+ 0 0 144 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.881 122.9 21.7 -88.9 -49.3 34.0 29.2 53.3 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.442 97.5-128.6 -94.3 -13.1 33.5 25.8 54.9 81 99 A L >< + 0 0 30 -4,-1.5 3,-0.9 1,-0.2 2,-0.2 0.628 50.7 160.5 60.3 24.1 34.4 23.7 51.8 82 100 A N T 3 + 0 0 38 -5,-0.4 -5,-2.6 1,-0.3 -1,-0.2 -0.493 66.4 13.2 -75.1 132.8 31.1 21.9 52.2 83 101 A N T 3 S+ 0 0 16 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.891 79.9 178.8 62.8 43.5 30.1 20.1 49.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.4 75,-0.2 123,-0.2 -0.475 33.6 120.0 -73.3 66.4 33.6 20.7 47.4 85 103 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.997 34.6 176.7-140.6 137.2 32.8 18.9 44.2 86 104 A M E -LN 37 72B 0 -49,-2.5 -49,-2.9 -2,-0.4 2,-0.4 -0.989 18.8-142.7-139.9 141.2 32.8 19.9 40.5 87 105 A L E -LN 36 71B 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.5 -0.834 14.6-162.8-104.7 133.3 32.2 18.1 37.2 88 106 A I E -LN 35 70B 0 -53,-3.3 -53,-2.7 -2,-0.4 2,-0.4 -0.980 7.0-148.3-121.7 118.3 34.3 19.0 34.1 89 107 A K E -LN 34 69B 35 -20,-2.2 -21,-3.2 -2,-0.5 -20,-1.1 -0.726 14.6-131.4 -87.1 136.7 33.2 18.1 30.6 90 108 A L E - N 0 67B 4 -57,-2.8 -23,-0.2 -2,-0.4 -24,-0.1 -0.603 9.0-137.4 -81.2 135.9 35.9 17.4 27.9 91 109 A K S S+ 0 0 163 -25,-2.9 2,-0.3 -2,-0.3 -1,-0.1 0.904 95.1 22.6 -62.3 -32.3 35.5 19.2 24.5 92 110 A S S S- 0 0 72 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.939 98.1 -98.7-132.6 145.8 36.4 15.8 22.9 93 111 A A - 0 0 49 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.458 40.8-119.9 -65.3 133.0 36.1 12.3 24.2 94 112 A A - 0 0 7 -62,-3.2 2,-0.5 -2,-0.2 -1,-0.1 -0.445 24.1-114.4 -64.8 152.7 39.4 11.0 25.6 95 113 A S - 0 0 71 -2,-0.1 2,-0.4 6,-0.0 -1,-0.1 -0.772 33.2-136.3 -94.6 117.6 40.9 7.8 24.0 96 114 A L + 0 0 91 -2,-0.5 2,-0.2 3,-0.0 5,-0.2 -0.742 40.2 131.4 -89.0 129.8 40.9 5.0 26.6 97 115 A N B > S-O 100 0C 72 3,-1.9 3,-0.6 -2,-0.4 0, 0.0 -0.733 70.2 -62.2-148.6-167.7 43.9 2.6 27.1 98 116 A S T 3 S+ 0 0 97 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.863 135.2 35.1 -53.9 -38.5 46.1 1.0 29.7 99 117 A R T 3 S+ 0 0 102 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.428 118.4 52.5 -99.1 -2.9 47.5 4.5 30.8 100 118 A V B < S+O 97 0C 0 -3,-0.6 -3,-1.9 -50,-0.1 2,-0.3 -0.927 76.3 148.1-133.7 93.9 44.2 6.5 30.3 101 119 A A - 0 0 29 -88,-1.9 -72,-0.3 -2,-0.4 2,-0.3 -0.967 43.5-113.7-130.0 156.9 41.4 4.9 32.1 102 120 A S - 0 0 47 -2,-0.3 2,-0.5 -72,-0.1 -72,-0.2 -0.662 24.2-136.8 -85.4 151.9 38.1 5.7 34.0 103 121 A I - 0 0 15 -74,-2.9 2,-0.1 -2,-0.3 83,-0.1 -0.848 25.0-116.7-104.2 131.6 37.7 5.2 37.7 104 122 A S B -b 186 0A 71 81,-0.6 83,-2.8 -2,-0.5 -73,-0.1 -0.405 20.8-119.3 -64.5 149.5 34.4 3.7 38.9 105 123 A L - 0 0 31 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.452 40.0-100.2 -77.4 145.3 32.0 5.5 41.2 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.324 18.4-157.6 -69.2 155.5 31.3 3.9 44.6 107 125 A T S S+ 0 0 139 1,-0.4 2,-0.3 -2,-0.0 -2,-0.0 0.694 83.8 9.7-105.6 -17.7 28.2 1.8 45.2 108 127 A S S S- 0 0 85 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.950 90.5 -90.9-149.9 161.7 28.5 2.3 48.9 109 128 A c - 0 0 60 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.389 44.7-117.1 -73.3 140.9 30.6 4.5 51.3 110 129 A A - 0 0 33 -2,-0.1 2,-0.1 78,-0.1 -1,-0.1 -0.543 29.7-120.7 -87.3 150.3 33.8 3.0 52.5 111 130 A S > - 0 0 78 -2,-0.2 3,-1.8 1,-0.2 31,-0.3 -0.421 32.2 -79.9 -92.1 165.7 34.4 2.3 56.2 112 132 A A T 3 S+ 0 0 63 1,-0.2 31,-0.2 -2,-0.1 -1,-0.2 -0.302 115.7 29.0 -62.8 137.1 36.9 3.4 58.7 113 133 A G T 3 S+ 0 0 49 29,-3.3 2,-0.3 1,-0.3 -1,-0.2 0.181 83.0 137.9 90.7 -11.8 40.2 1.6 58.5 114 134 A T < - 0 0 30 -3,-1.8 28,-2.3 28,-0.1 -1,-0.3 -0.485 56.2-124.2 -62.6 123.9 39.9 0.9 54.8 115 135 A Q E -C 141 0A 110 -2,-0.3 69,-0.4 26,-0.3 2,-0.3 -0.519 34.5-170.6 -71.8 128.9 43.2 1.5 53.1 116 136 A d E -C 140 0A 4 24,-2.7 24,-1.9 -2,-0.3 2,-0.6 -0.912 23.4-126.8-123.4 156.1 43.1 4.0 50.3 117 137 A L E -CD 139 182A 36 65,-3.2 65,-2.7 -2,-0.3 2,-0.4 -0.899 23.9-171.8-101.5 117.6 45.3 5.4 47.5 118 138 A I E -CD 138 181A 6 20,-2.8 20,-1.9 -2,-0.6 2,-0.3 -0.871 10.7-174.1-106.8 130.7 45.7 9.1 47.4 119 139 A S E +C 137 0A 5 61,-1.8 2,-0.3 -2,-0.4 18,-0.2 -0.953 17.3 108.9-134.4 153.3 47.5 10.7 44.4 120 140 A G E -C 136 0A 2 16,-2.4 16,-2.7 -2,-0.3 56,-0.1 -0.959 56.8-107.2 168.4 178.7 48.8 14.0 43.0 121 141 A W S S+ 0 0 4 -2,-0.3 55,-0.2 14,-0.2 3,-0.1 0.642 71.7 119.0-102.6 -24.5 51.7 16.3 42.1 122 142 A G - 0 0 7 53,-0.2 53,-0.2 9,-0.1 -2,-0.1 0.286 67.8 -44.0 -50.5 169.3 51.4 18.8 45.0 123 143 A N - 0 0 6 51,-1.0 8,-0.2 8,-0.1 -1,-0.1 0.070 34.8-167.9 -43.4 132.1 53.7 20.0 47.9 124 144 A T + 0 0 72 6,-2.3 2,-0.7 -3,-0.1 -1,-0.1 0.358 58.4 94.4 -96.2 -13.7 55.6 17.5 50.0 125 145 A K > - 0 0 109 5,-0.2 3,-0.6 3,-0.2 5,-0.1 -0.856 47.2-170.8-104.7 115.2 56.7 19.8 52.8 126 146 A S T 3 S+ 0 0 57 -2,-0.7 -1,-0.1 1,-0.3 2,-0.1 0.557 99.3 30.4 -56.8 -24.1 54.8 20.3 56.1 127 147 A S T 3 S+ 0 0 103 -3,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.608 126.1 5.3-145.3 73.4 57.2 23.1 56.7 128 148 A G S < S- 0 0 46 -3,-0.6 2,-0.4 -2,-0.1 -3,-0.2 -0.923 85.8 -66.5 140.8-169.2 58.3 24.7 53.4 129 149 A T + 0 0 125 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.898 51.5 148.2-129.7 100.0 57.8 24.7 49.6 130 150 A S - 0 0 49 -2,-0.4 -6,-2.3 -5,-0.1 -5,-0.2 -0.837 15.7-178.9-138.4 100.0 58.7 21.6 47.6 131 151 A Y - 0 0 129 -2,-0.3 -9,-0.1 -8,-0.2 -8,-0.1 -0.887 15.4-155.2-103.8 103.3 56.7 20.7 44.5 132 152 A P - 0 0 27 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.166 11.2-134.7 -71.6 164.7 58.0 17.5 42.7 133 153 A D S S+ 0 0 67 2,-0.1 -78,-2.0 -79,-0.1 -77,-0.3 0.703 75.7 61.7-108.5 -13.7 57.4 16.8 39.0 134 154 A V S S- 0 0 35 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.645 100.0 -72.4-103.1 163.9 56.2 13.2 38.6 135 155 A L - 0 0 2 -2,-0.2 -128,-2.3 -129,-0.1 -127,-0.5 -0.309 49.3-153.8 -60.0 125.6 53.0 11.6 40.0 136 156 A K E -AC 6 120A 54 -16,-2.7 -16,-2.4 -130,-0.2 2,-0.3 -0.787 8.5-163.8-105.7 147.2 53.1 11.1 43.8 137 157 A a E -AC 5 119A 5 -132,-3.1 -132,-2.7 -2,-0.3 2,-0.3 -0.908 8.9-174.3-127.6 153.7 51.2 8.4 45.8 138 158 A L E - C 0 118A 14 -20,-1.9 -20,-2.8 -2,-0.3 2,-0.6 -0.986 13.0-150.8-146.5 134.1 50.2 7.8 49.5 139 159 A K E + C 0 117A 125 -2,-0.3 -22,-0.2 -136,-0.3 -24,-0.1 -0.945 31.6 152.7-107.3 120.7 48.5 4.9 51.1 140 160 A A E - C 0 116A 0 -24,-1.9 -24,-2.7 -2,-0.6 2,-0.3 -0.987 39.7-115.7-144.1 149.8 46.5 5.7 54.2 141 161 A P E - C 0 115A 22 0, 0.0 23,-1.8 0, 0.0 2,-0.3 -0.619 37.6-104.0 -74.6 152.4 43.5 4.3 56.1 142 162 A I B -E 163 0A 13 -28,-2.3 -29,-3.3 -31,-0.3 21,-0.3 -0.513 41.2-129.8 -71.2 127.7 40.3 6.3 56.4 143 163 A L - 0 0 22 19,-2.7 19,-0.3 -2,-0.3 -29,-0.1 -0.407 25.0 -94.5 -74.6 159.3 40.0 7.6 59.9 144 164 A S > - 0 0 53 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.376 33.3-117.4 -68.9 146.7 37.0 7.3 62.2 145 165 A D H > S+ 0 0 85 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.859 116.2 54.4 -54.1 -38.4 34.6 10.2 62.1 146 166 A S H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.962 108.8 46.9 -59.4 -50.3 35.4 10.8 65.8 147 167 A S H > S+ 0 0 15 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.794 114.5 49.6 -60.0 -33.9 39.1 11.0 65.1 148 168 A e H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.2 0.957 114.3 41.6 -72.3 -52.0 38.4 13.4 62.2 149 169 A K H < S+ 0 0 102 -4,-3.1 6,-0.3 1,-0.2 -2,-0.2 0.803 109.5 56.7 -70.7 -33.3 36.1 15.7 63.9 150 170 A S H < S+ 0 0 85 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.843 106.6 52.1 -74.3 -18.5 38.1 15.9 67.1 151 171 A A H < S+ 0 0 4 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.875 125.7 25.2 -76.7 -33.4 41.0 17.0 64.9 152 172 A Y S >X S- 0 0 1 -4,-1.6 3,-2.0 -5,-0.0 4,-0.7 -0.721 87.1-158.0-128.3 73.6 38.8 19.8 63.4 153 173 A P T 34 S+ 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.333 77.1 2.2 -56.4 129.7 36.1 20.6 65.9 154 174 A G T 34 S+ 0 0 92 2,-0.1 -4,-0.1 1,-0.1 -5,-0.0 0.553 117.2 85.5 76.4 -1.4 33.0 22.3 64.3 155 175 A Q T <4 + 0 0 94 -3,-2.0 2,-0.5 -6,-0.3 -1,-0.1 0.532 63.9 85.7-110.7 -13.2 34.6 21.9 60.9 156 176 A I < - 0 0 19 -4,-0.7 2,-0.2 -7,-0.1 -2,-0.1 -0.831 52.8-173.7-100.8 126.5 33.7 18.5 59.6 157 177 A T > - 0 0 42 -2,-0.5 3,-1.7 4,-0.0 -2,-0.0 -0.575 43.9 -96.7-104.3 175.6 30.4 17.7 57.9 158 178 A S T 3 S+ 0 0 80 1,-0.3 53,-0.0 -2,-0.2 -2,-0.0 0.534 121.4 63.5 -65.0 -14.1 28.7 14.5 56.7 159 179 A N T 3 S+ 0 0 24 51,-0.0 49,-2.7 48,-0.0 2,-0.3 0.169 98.4 70.5-102.7 16.4 30.1 15.2 53.3 160 180 A M E < - F 0 207A 4 -3,-1.7 2,-0.3 47,-0.2 47,-0.2 -0.942 52.8-179.3-130.9 155.6 33.7 15.0 54.5 161 181 A F E - F 0 206A 10 45,-1.9 45,-3.0 -2,-0.3 2,-0.4 -0.948 18.1-132.8-142.9 164.2 36.2 12.4 55.7 162 182 A e E - F 0 205A 0 -19,-0.3 -19,-2.7 -2,-0.3 2,-0.4 -0.904 15.8-168.1-115.4 148.4 39.8 12.2 56.9 163 183 A A E +EF 142 204A 0 41,-1.4 41,-1.2 -2,-0.4 2,-0.3 -0.980 43.0 30.3-140.9 136.5 42.6 9.9 56.0 164 184AA G S S- 0 0 3 -23,-1.8 2,-0.4 -2,-0.4 7,-0.1 -0.989 85.7 -24.0 136.5-138.4 46.0 9.2 57.5 165 184 A Y > - 0 0 69 5,-0.4 3,-2.0 -2,-0.3 37,-0.3 -0.988 33.5-140.0-127.1 132.2 47.7 9.3 60.9 166 185 A L T 3 S+ 0 0 70 -2,-0.4 35,-0.8 1,-0.3 3,-0.1 0.514 107.6 58.5 -71.3 -3.1 46.9 11.1 64.1 167 186 A E T 3 S- 0 0 140 1,-0.4 -1,-0.3 33,-0.2 2,-0.2 0.393 100.6-149.8 -97.3 -3.6 50.6 11.7 64.6 168 187 A G < + 0 0 2 -3,-2.0 2,-1.9 2,-0.1 -1,-0.4 -0.473 55.9 124.4 69.4-132.5 50.7 13.5 61.3 169 188AA G S S+ 0 0 64 29,-3.0 2,-0.7 -2,-0.2 -43,-0.2 -0.328 73.4 60.8 77.7 -53.7 53.9 13.2 59.4 170 188 A K S S+ 0 0 49 -2,-1.9 -5,-0.4 -5,-0.1 2,-0.3 -0.897 74.5 131.9-110.7 98.3 52.3 11.8 56.3 171 189 A D - 0 0 31 -2,-0.7 -7,-0.1 -47,-0.1 -167,-0.1 -0.995 55.1-133.5-150.7 157.1 49.7 14.1 54.7 172 190 A S > + 0 0 15 -2,-0.3 3,-1.4 21,-0.1 2,-0.4 -0.150 44.5 149.6-105.5 42.4 48.3 15.7 51.5 173 191 A f T 3 S- 0 0 10 1,-0.3 -2,-0.1 2,-0.2 -48,-0.1 -0.612 96.6 -9.5 -74.6 115.2 47.9 19.3 52.7 174 192 A Q T 3 S+ 0 0 105 -2,-0.4 -51,-1.0 1,-0.1 -1,-0.3 0.582 105.5 133.3 61.6 9.0 48.5 21.1 49.5 175 193 A G S < S- 0 0 15 -3,-1.4 -2,-0.2 -53,-0.2 -53,-0.2 0.451 89.3 -46.8 -72.5 2.9 49.5 17.6 48.6 176 194 A D > - 0 0 9 -4,-0.4 3,-1.5 -55,-0.2 15,-0.2 0.495 62.7-133.9 126.6 91.3 47.4 18.2 45.5 177 195 A S T 3 S+ 0 0 36 1,-0.2 -151,-3.0 -153,-0.2 15,-0.2 -0.215 87.4 20.8 -51.5 139.6 43.9 19.8 45.5 178 196 A G T 3 S+ 0 0 1 13,-2.5 -1,-0.2 1,-0.3 -150,-0.1 0.294 93.3 131.6 92.6 -17.0 41.2 18.2 43.4 179 197 A G < - 0 0 0 -3,-1.5 12,-3.0 1,-0.1 -1,-0.3 -0.141 55.6 -88.3 -78.3 164.5 43.0 14.8 43.2 180 198 A P E - G 0 190A 0 0, 0.0 -61,-1.8 0, 0.0 2,-0.5 -0.518 17.7-162.5 -76.5 153.7 41.5 11.3 43.9 181 199 A V E -DG 118 189A 0 8,-2.5 7,-2.4 -2,-0.2 8,-2.0 -0.995 23.7-172.4-123.9 110.0 41.2 9.1 46.9 182 200 A V E +DG 117 187A 11 -65,-2.7 -65,-3.2 -2,-0.5 2,-0.4 -0.945 9.1 178.9-116.2 124.9 40.6 5.5 45.7 183 201 A d E > S- G 0 186A 2 3,-3.2 3,-1.2 -2,-0.5 -67,-0.2 -0.989 72.1 -7.2-132.1 122.8 39.6 2.6 47.9 184 202 A S T 3 S- 0 0 103 -2,-0.4 -1,-0.1 -69,-0.4 3,-0.1 0.848 130.2 -55.9 56.7 40.7 39.0 -0.9 46.7 185 203 A G T 3 S+ 0 0 48 1,-0.2 -81,-0.6 -3,-0.0 2,-0.4 0.559 117.7 110.7 75.0 6.8 39.2 0.3 43.1 186 204 A K E < S-bG 104 183A 85 -3,-1.2 -3,-3.2 -83,-0.1 2,-0.8 -0.960 74.6-115.5-116.4 143.2 36.5 2.9 43.7 187 209 A L E + G 0 182A 2 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.539 46.5 153.8 -71.3 103.2 36.6 6.7 43.8 188 210 A Q E + 0 0 13 -7,-2.4 21,-1.7 -2,-0.8 22,-0.5 0.606 54.0 36.4-101.2 -25.8 35.7 7.6 47.4 189 211 A G E -HG 208 181A 0 -8,-2.0 -8,-2.5 19,-0.2 2,-0.4 -0.976 49.2-154.5-137.5 156.7 37.4 11.0 47.9 190 212 A I E -HG 207 180A 4 17,-0.8 17,-2.3 -2,-0.3 2,-0.2 -0.998 40.4-110.3-129.2 122.4 38.5 14.3 46.5 191 213 A V E +H 206 0A 8 -12,-3.0 -13,-2.5 -2,-0.4 15,-0.2 -0.342 55.0 156.2 -56.7 103.8 41.5 16.2 48.0 192 214 A S E - 0 0 7 13,-2.1 2,-0.3 1,-0.4 14,-0.2 0.846 46.4 -40.8-102.5 -66.0 39.7 19.1 49.6 193 215 A W E -H 205 0A 45 12,-1.6 12,-2.4 -20,-0.0 -1,-0.4 -0.930 35.2-166.0-155.6-177.9 41.5 20.8 52.5 194 216 A G - 0 0 15 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 -0.514 25.2-129.2 177.4 104.3 43.6 20.3 55.7 195 217 A S S S- 0 0 64 -2,-0.2 2,-0.6 8,-0.1 4,-0.2 -0.530 86.0 -2.6 -69.6 115.0 44.4 22.9 58.4 196 219 A G S S- 0 0 48 -2,-0.4 -2,-0.1 1,-0.1 2,-0.1 -0.964 99.2 -90.3 114.4-112.8 48.1 23.0 59.0 197 220 A f S S- 0 0 11 -2,-0.6 -28,-0.1 5,-0.2 3,-0.1 -0.152 86.6 -28.6 156.6 96.4 50.1 20.5 57.0 198 221AA A S S+ 0 0 13 4,-0.5 -29,-3.0 1,-0.2 3,-0.1 0.673 92.9 159.3 55.1 25.5 50.9 16.9 58.2 199 221 A Q > - 0 0 75 3,-0.4 3,-2.7 -31,-0.2 2,-0.3 -0.294 55.7 -77.4 -72.4 156.0 50.7 18.3 61.8 200 222 A K T 3 S+ 0 0 167 1,-0.3 -33,-0.2 -33,-0.2 -1,-0.1 -0.470 122.7 3.1 -62.1 110.6 50.1 16.1 64.8 201 223 A N T 3 S+ 0 0 62 -35,-0.8 -1,-0.3 -2,-0.3 -35,-0.1 0.721 105.3 111.3 69.7 36.3 46.4 15.4 64.8 202 224 A K < + 0 0 58 -3,-2.7 -4,-0.5 -37,-0.3 -3,-0.4 -0.648 44.7 173.4-131.5 79.9 45.9 17.3 61.5 203 225 A P - 0 0 3 0, 0.0 -39,-0.1 0, 0.0 -8,-0.1 -0.087 40.0 -80.8 -67.0-178.9 45.0 14.7 58.7 204 226 A G E -F 163 0A 1 -41,-1.2 -41,-1.4 -10,-0.1 2,-0.4 -0.479 41.0-139.2 -82.4 148.1 43.9 15.3 55.2 205 227 A V E -FH 162 193A 1 -12,-2.4 -13,-2.1 -43,-0.2 -12,-1.6 -0.965 20.8-169.7-120.1 124.6 40.2 16.2 54.5 206 228 A Y E -FH 161 191A 1 -45,-3.0 -45,-1.9 -2,-0.4 2,-0.2 -0.946 28.8-112.5-118.9 142.5 38.3 14.7 51.6 207 229 A T E -FH 160 190A 3 -17,-2.3 2,-1.4 -2,-0.3 -17,-0.8 -0.537 37.7-124.9 -70.5 122.9 34.9 15.3 49.8 208 230 A K E > - H 0 189A 41 -49,-2.7 3,-2.1 -2,-0.2 4,-0.2 -0.714 28.3-172.3 -78.6 83.5 32.9 12.1 50.5 209 231 A V G > S+ 0 0 0 -21,-1.7 3,-2.0 -2,-1.4 4,-0.2 0.762 74.4 72.9 -52.1 -28.9 32.1 11.2 46.9 210 232 A c G 3 S+ 0 0 22 -22,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.699 92.6 57.6 -65.6 -12.7 29.7 8.4 47.9 211 233 A N G < S+ 0 0 72 -3,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.568 107.8 47.5 -83.4 -17.4 27.1 11.1 49.0 212 234 A Y S <> S+ 0 0 8 -3,-2.0 4,-2.9 -4,-0.2 -1,-0.2 0.189 73.7 107.9-108.4 2.3 27.1 12.6 45.5 213 235 A V H > S+ 0 0 21 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.888 82.6 46.7 -61.1 -38.8 26.7 9.7 43.1 214 236 A S H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.924 113.5 51.0 -68.5 -39.0 23.1 10.4 42.1 215 237 A W H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.938 111.7 47.3 -59.1 -48.5 24.1 14.0 41.5 216 238 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.917 115.2 43.8 -61.6 -47.2 27.0 13.0 39.4 217 239 A K H X S+ 0 0 124 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.904 116.7 45.7 -66.4 -47.6 25.1 10.5 37.2 218 240 A Q H X S+ 0 0 135 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.914 115.0 48.4 -59.8 -45.7 22.0 12.7 36.8 219 241 A T H < S+ 0 0 20 -4,-3.0 4,-0.3 -5,-0.3 -2,-0.2 0.902 111.9 46.7 -64.8 -43.5 24.2 15.8 36.0 220 242 A I H >< S+ 0 0 25 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.873 111.9 50.6 -71.4 -30.0 26.5 14.1 33.4 221 243 A A H 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 112.6 47.3 -75.7 -25.9 23.6 12.4 31.6 222 244 A S T 3< 0 0 97 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.359 360.0 360.0 -91.0 -5.1 21.8 15.7 31.3 223 245 A N < 0 0 78 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.411 360.0 360.0-124.7 360.0 24.8 17.7 30.2