==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 01-AUG-98 2HEX . COMPND 2 MOLECULE: PROTEIN (PANCREATIC TRYPSIN INHIBITOR); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.LUBKOWSKI,A.WLODAWER . 281 5 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 47.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 5 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 5 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 5 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 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 1 A R 0 0 155 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 133.8 -7.4 21.6 -23.8 2 2 A P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.084 360.0-120.9 -48.1 145.0 -6.0 24.7 -25.7 3 3 A D G > S+ 0 0 140 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.739 108.9 68.4 -64.2 -22.8 -3.2 23.9 -28.1 4 4 A F G > S+ 0 0 44 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.812 86.3 71.1 -68.7 -22.6 -0.8 26.3 -26.3 5 5 A a G < S+ 0 0 1 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.679 90.9 59.6 -61.7 -19.3 -1.0 23.8 -23.4 6 6 A L G < S+ 0 0 103 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.609 83.8 103.5 -86.6 -13.9 1.1 21.5 -25.6 7 7 A E S < S- 0 0 104 -3,-1.6 18,-0.1 -4,-0.3 3,-0.1 -0.422 79.6-110.0 -73.7 142.4 4.0 23.9 -25.9 8 8 A P - 0 0 83 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.400 48.8 -84.7 -67.3 154.6 7.1 23.4 -23.8 9 9 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.346 39.6-146.8 -68.7 141.7 7.7 25.9 -21.0 10 10 A Y - 0 0 85 33,-0.3 31,-0.4 1,-0.1 26,-0.2 -0.931 17.2-175.7-119.8 102.4 9.4 29.1 -21.9 11 11 A T - 0 0 69 -2,-0.5 25,-2.6 24,-0.2 27,-0.4 0.849 36.1-155.7 -65.3 -35.6 11.7 30.8 -19.3 12 12 A G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.120 29.1 -68.8 81.1 175.8 12.2 33.8 -21.6 13 13 A P S S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.577 93.7 100.8 -87.4 -9.4 15.1 36.3 -21.8 14 14 A b S S- 0 0 45 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.311 71.3-124.2 -82.3 172.7 14.6 38.2 -18.5 15 15 A K + 0 0 154 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.303 66.4 109.6-101.4 2.8 16.7 37.6 -15.4 16 16 A A - 0 0 5 20,-2.6 2,-0.1 1,-0.1 22,-0.1 -0.258 59.7-138.6 -75.0 169.4 14.2 36.8 -12.6 17 17 A R + 0 0 101 57,-0.3 2,-0.4 20,-0.1 229,-0.2 -0.550 39.0 161.8-125.0 65.4 13.7 33.4 -11.0 18 18 A I E -A 35 0A 30 17,-2.3 17,-3.6 -2,-0.1 2,-0.4 -0.689 37.4-126.9 -88.4 129.5 9.9 33.3 -10.6 19 19 A I E +A 34 0A 26 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.630 38.4 166.0 -79.5 128.7 8.2 30.0 -10.1 20 20 A R E -A 33 0A 25 13,-2.2 13,-2.2 -2,-0.4 2,-0.4 -0.861 31.4-117.3-132.7 167.8 5.3 29.3 -12.6 21 21 A Y E -AB 32 45A 27 24,-2.8 24,-2.7 -2,-0.3 2,-0.3 -0.866 23.3-176.0-109.1 146.1 3.2 26.3 -13.7 22 22 A F E -A 31 0A 17 9,-2.3 9,-2.1 -2,-0.4 2,-0.3 -0.994 31.7-114.9-137.1 132.3 3.2 24.8 -17.1 23 23 A Y E -A 30 0A 14 -2,-0.3 2,-0.8 7,-0.2 7,-0.3 -0.544 23.8-151.8 -70.0 130.8 0.9 21.9 -18.2 24 24 A N E >> -A 29 0A 32 5,-2.4 5,-1.6 -2,-0.3 4,-1.5 -0.838 9.9-171.5-104.6 97.5 2.9 18.8 -19.0 25 25 A A T >45S+ 0 0 43 -2,-0.8 3,-0.7 -20,-0.4 -1,-0.2 0.899 84.3 55.7 -50.5 -48.9 0.9 16.9 -21.6 26 26 A K T 345S+ 0 0 209 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.881 116.4 37.1 -50.1 -45.8 3.2 13.9 -21.4 27 27 A A T 345S- 0 0 52 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.525 104.5-126.5 -86.7 -16.2 2.7 13.6 -17.7 28 28 A G T <<5S+ 0 0 40 -4,-1.5 2,-0.3 -3,-0.7 -3,-0.2 0.795 77.0 72.4 68.6 31.2 -0.9 14.6 -17.6 29 29 A L E S- 0 0 40 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.937 70.0-151.3-117.6 133.6 -1.7 29.7 -10.1 48 48 A A H > S+ 0 0 38 -2,-0.4 4,-2.4 2,-0.2 5,-0.3 0.817 100.0 60.6 -74.4 -29.5 -1.7 25.9 -10.5 49 49 A E H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.972 107.5 46.2 -52.5 -53.5 -5.5 25.8 -10.1 50 50 A D H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.853 109.8 55.1 -57.6 -38.1 -5.6 28.0 -13.2 51 51 A c H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.5 0.934 113.0 39.4 -67.1 -43.0 -3.1 25.7 -15.0 52 52 A M H X S+ 0 0 69 -4,-2.4 4,-2.8 3,-0.2 -2,-0.2 0.951 116.1 48.8 -74.5 -47.7 -5.1 22.6 -14.5 53 53 A R H < S+ 0 0 168 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.925 121.2 38.1 -55.9 -43.2 -8.6 24.0 -15.1 54 54 A T H < S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 138.2 12.3 -75.0 -34.5 -7.3 25.7 -18.3 55 55 A a H < 0 0 1 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.591 360.0 360.0-122.8 -18.9 -5.0 22.9 -19.6 56 56 A G < 0 0 50 -4,-2.8 -3,-0.2 -5,-0.5 -4,-0.1 0.693 360.0 360.0 -85.6 360.0 -5.6 19.8 -17.6 57 !* 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 58 1 B R 0 0 156 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 152.6 -6.6 55.9 -19.7 59 2 B P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.356 360.0-118.2 -62.4 151.2 -3.9 58.1 -18.0 60 3 B D G > S+ 0 0 133 1,-0.2 3,-1.4 2,-0.2 4,-0.1 0.701 109.3 70.5 -61.2 -21.7 -1.0 59.2 -20.2 61 4 B F G > S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.792 84.2 69.7 -72.3 -22.4 1.5 57.3 -18.1 62 5 B d G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.670 90.9 60.9 -63.4 -18.4 0.0 54.0 -19.4 63 6 B L G < S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.453 84.7 99.1 -90.2 -0.4 1.6 54.8 -22.8 64 7 B E S < S- 0 0 104 -3,-1.7 16,-0.1 -4,-0.1 3,-0.1 -0.699 80.9-109.5 -92.0 138.0 5.2 54.8 -21.3 65 8 B P - 0 0 82 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.212 48.3 -83.5 -64.1 157.4 7.4 51.7 -21.7 66 9 B P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.259 42.4-146.7 -65.3 149.4 8.1 49.7 -18.5 67 10 B Y - 0 0 92 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.928 16.8-174.1-128.7 109.7 10.9 51.0 -16.4 68 11 B T - 0 0 69 -2,-0.5 25,-2.5 24,-0.2 27,-0.4 0.875 33.0-155.6 -66.7 -42.6 13.2 48.7 -14.4 69 12 B G - 0 0 18 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.160 31.0 -68.9 86.2 172.5 15.1 51.4 -12.6 70 13 B P S S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.433 94.7 101.6 -82.5 -5.9 18.5 51.4 -11.0 71 14 B e - 0 0 37 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.408 68.5-132.5 -86.1 166.8 17.9 49.1 -8.1 72 15 B K + 0 0 145 -2,-0.1 22,-0.2 22,-0.1 2,-0.1 0.234 64.1 110.0-108.2 13.8 19.0 45.4 -8.2 73 16 B A - 0 0 6 20,-2.6 2,-0.3 1,-0.0 22,-0.1 -0.437 60.5-137.9 -78.7 167.3 16.1 43.4 -7.0 74 17 B R + 0 0 112 57,-0.3 2,-0.4 -2,-0.1 -57,-0.3 -0.665 37.8 159.8-127.0 74.4 14.2 41.2 -9.5 75 18 B I E -C 92 0B 32 17,-2.5 17,-3.8 -2,-0.3 2,-0.5 -0.812 39.7-122.5-104.9 134.8 10.5 41.6 -8.8 76 19 B I E +C 91 0B 21 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.662 38.9 166.0 -73.8 125.8 7.7 40.9 -11.2 77 20 B R E -C 90 0B 27 13,-2.1 13,-2.0 -2,-0.5 2,-0.4 -0.872 30.9-119.4-129.9 161.1 5.4 43.9 -11.8 78 21 B Y E -CD 89 102B 26 24,-3.8 24,-2.8 -2,-0.3 2,-0.3 -0.853 24.8-174.5-107.5 144.8 2.8 44.5 -14.5 79 22 B F E -C 88 0B 23 9,-2.8 9,-2.8 -2,-0.4 2,-0.6 -0.970 30.1-111.6-131.1 149.7 2.8 47.3 -17.1 80 23 B Y E -C 87 0B 21 -2,-0.3 2,-1.0 7,-0.2 7,-0.3 -0.724 21.2-153.0 -81.5 121.9 0.2 48.2 -19.7 81 24 B N E >> -C 86 0B 36 5,-2.8 4,-1.8 -2,-0.6 5,-1.8 -0.809 10.3-172.2 -90.1 99.1 1.3 47.5 -23.3 82 25 B A T 45S+ 0 0 44 -2,-1.0 -1,-0.2 -20,-0.4 -19,-0.1 0.746 83.1 54.0 -72.8 -19.6 -0.7 50.1 -25.2 83 26 B K T 45S+ 0 0 193 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.969 117.1 36.2 -68.5 -54.8 0.4 48.6 -28.6 84 27 B A T 45S- 0 0 52 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.660 107.3-129.5 -73.9 -12.8 -0.9 45.1 -27.6 85 28 B G T <5S+ 0 0 42 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.826 73.2 79.7 73.7 21.9 -3.8 46.6 -25.7 86 29 B L E - 0 0 38 1,-0.1 4,-1.8 -26,-0.1 -1,-0.1 -0.928 69.4-153.9-113.5 125.2 -1.6 43.6 -9.2 105 48 B A H > S+ 0 0 31 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.895 99.2 61.7 -63.3 -34.6 -2.5 42.8 -12.8 106 49 B E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 105.6 45.6 -51.3 -50.4 -6.1 43.6 -11.9 107 50 B D H > S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.869 111.3 53.5 -64.5 -36.6 -5.1 47.2 -11.1 108 51 B f H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.952 110.7 44.3 -61.7 -52.8 -3.1 47.4 -14.3 109 52 B M H X S+ 0 0 111 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.867 119.1 43.3 -62.8 -39.0 -5.9 46.4 -16.6 110 53 B R H < S+ 0 0 159 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.947 115.6 46.1 -72.8 -48.9 -8.4 48.6 -14.8 111 54 B T H < S+ 0 0 59 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.911 129.4 25.0 -61.6 -43.2 -6.2 51.7 -14.4 112 55 B d H < 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.396 360.0 360.0-105.6 0.9 -5.0 51.6 -18.0 113 56 B G < 0 0 68 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 0.698 360.0 360.0 -64.8 360.0 -7.9 49.8 -19.4 114 !* 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 0.0 115 1 C R 0 0 133 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 143.8 3.4 62.6 11.0 116 2 C P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.301 360.0-127.2 -59.3 141.6 6.2 61.0 13.0 117 3 C D G > S+ 0 0 119 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.717 106.7 70.2 -68.3 -21.6 9.6 62.4 12.4 118 4 C F G > S+ 0 0 40 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.846 87.9 69.4 -61.8 -25.8 11.0 58.9 11.6 119 5 C g G < S+ 0 0 1 -3,-1.4 20,-0.4 1,-0.3 -1,-0.3 0.754 91.3 59.1 -60.6 -22.0 8.9 59.4 8.5 120 6 C L G < S+ 0 0 94 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.424 84.1 105.5 -87.6 2.2 11.4 62.0 7.4 121 7 C E S < S- 0 0 96 -3,-2.2 16,-0.1 -4,-0.1 3,-0.1 -0.603 76.7-115.7 -82.1 138.7 14.3 59.5 7.5 122 8 C P - 0 0 98 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.362 45.8 -84.9 -69.3 161.1 15.7 58.3 4.2 123 9 C P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.288 39.3-150.9 -69.7 149.0 15.2 54.6 3.5 124 10 C Y - 0 0 90 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.940 15.5-173.9-128.8 108.1 17.8 52.2 4.9 125 11 C T - 0 0 63 -2,-0.5 25,-2.6 24,-0.2 27,-0.4 0.860 37.3-150.7 -66.4 -36.9 18.6 48.9 3.1 126 12 C G - 0 0 18 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.102 28.9 -69.3 84.2 171.7 20.8 47.7 5.9 127 13 C P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.480 96.4 100.8 -83.0 -1.3 23.8 45.4 5.8 128 14 C h S S- 0 0 44 24,-0.5 23,-0.1 -3,-0.3 24,-0.1 -0.424 70.7-128.4 -91.2 169.4 22.0 42.2 5.0 129 15 C K + 0 0 121 -2,-0.1 22,-0.2 22,-0.1 -1,-0.1 0.446 66.1 109.5-100.4 -3.8 21.8 40.6 1.6 130 16 C A - 0 0 3 20,-2.0 2,-0.2 1,-0.1 22,-0.1 -0.229 57.9-144.6 -60.6 165.4 18.1 39.9 0.9 131 17 C R + 0 0 108 58,-0.3 2,-0.3 19,-0.1 -57,-0.3 -0.550 36.5 160.8-133.4 74.6 16.6 42.1 -1.8 132 18 C I E -E 149 0C 45 17,-2.5 17,-3.9 -2,-0.2 2,-0.4 -0.738 41.1-117.9 -99.5 134.6 13.0 42.5 -0.4 133 19 C I E +E 148 0C 24 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.557 40.8 168.6 -71.1 126.4 10.6 45.3 -1.5 134 20 C R E -E 147 0C 17 13,-2.4 13,-1.7 -2,-0.4 2,-0.4 -0.873 29.3-119.3-127.8 169.7 9.6 47.6 1.4 135 21 C Y E +EF 146 159C 27 24,-2.6 24,-2.2 -2,-0.3 2,-0.3 -0.893 26.4 178.4-113.1 145.8 7.8 50.9 1.6 136 22 C F E -E 145 0C 24 9,-2.2 9,-3.3 -2,-0.4 2,-0.5 -0.973 31.6-113.2-138.3 146.6 9.1 54.2 2.9 137 23 C Y E -E 144 0C 16 -2,-0.3 2,-0.8 7,-0.3 7,-0.3 -0.743 20.2-153.8 -85.3 129.3 7.5 57.6 3.1 138 24 C N E >> -E 143 0C 32 5,-2.7 4,-3.6 -2,-0.5 5,-0.8 -0.864 6.5-169.9-100.0 92.6 9.1 60.3 0.9 139 25 C A T 45S+ 0 0 50 -2,-0.8 -1,-0.2 -20,-0.4 -19,-0.1 0.860 88.1 52.2 -56.1 -35.9 8.3 63.6 2.6 140 26 C K T 45S+ 0 0 183 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.969 116.5 35.8 -60.4 -59.4 9.6 65.3 -0.6 141 27 C A T 45S- 0 0 45 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.872 105.3-131.3 -66.3 -32.7 7.4 63.4 -3.0 142 28 C G T <5S+ 0 0 43 -4,-3.6 2,-0.3 1,-0.3 29,-0.3 0.570 74.4 70.8 90.4 12.9 4.5 63.3 -0.5 143 29 C L E S- 0 0 42 1,-0.1 4,-1.7 -26,-0.1 3,-0.3 -0.914 72.0-147.1-114.5 130.0 2.5 46.9 3.8 162 48 C A H > S+ 0 0 38 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.819 101.2 63.3 -62.8 -31.6 2.0 50.1 1.8 163 49 C E H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.956 104.0 47.7 -53.7 -51.2 -1.3 50.6 3.7 164 50 C D H > S+ 0 0 70 -3,-0.3 4,-3.4 1,-0.2 5,-0.3 0.920 111.0 49.8 -55.9 -46.7 0.7 50.8 6.9 165 51 C i H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.5 0.924 113.3 45.7 -61.5 -46.6 3.2 53.3 5.5 166 52 C M H X S+ 0 0 123 -4,-2.3 4,-3.0 3,-0.2 -2,-0.2 0.967 118.3 42.4 -57.5 -57.4 0.5 55.6 4.1 167 53 C R H < S+ 0 0 165 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.926 119.4 42.2 -61.6 -46.6 -1.5 55.5 7.3 168 54 C T H < S+ 0 0 61 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.913 135.6 14.6 -68.1 -39.3 1.4 55.8 9.7 169 55 C g H < S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.548 107.6 86.6-115.6 -16.2 3.3 58.5 7.7 170 56 C G < 0 0 28 -4,-3.0 -27,-0.1 -5,-0.5 -4,-0.0 -0.314 360.0 360.0 -88.3 174.0 0.9 60.0 5.2 171 57 C G 0 0 111 -29,-0.3 -4,-0.0 -2,-0.1 -3,-0.0 -0.950 360.0 360.0 114.0 360.0 -1.6 62.8 5.4 172 !* 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 0.0 173 1 D R 0 0 160 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 141.9 8.5 32.9 27.8 174 2 D P > - 0 0 56 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.070 360.0-123.6 -49.1 137.1 10.0 29.8 26.2 175 3 D D G > S+ 0 0 137 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.832 107.4 66.4 -50.5 -38.3 13.7 29.4 26.6 176 4 D F G > S+ 0 0 36 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.732 84.7 74.3 -64.0 -19.1 14.3 29.2 22.9 177 5 D j G < S+ 0 0 1 -3,-2.1 20,-0.5 1,-0.3 -1,-0.3 0.734 91.1 57.7 -62.7 -18.3 13.2 32.8 22.7 178 6 D L G < S+ 0 0 116 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.485 84.9 101.9 -90.1 -7.3 16.6 33.7 24.2 179 7 D E S < S- 0 0 46 -3,-1.6 16,-0.1 -4,-0.2 18,-0.1 -0.559 79.1-110.2 -79.9 144.7 18.6 32.0 21.4 180 8 D P - 0 0 100 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.296 45.5 -87.6 -68.1 154.8 20.2 34.2 18.7 181 9 D P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.317 39.6-146.4 -65.9 152.1 18.7 33.9 15.2 182 10 D Y - 0 0 84 33,-0.3 31,-0.4 1,-0.1 26,-0.1 -0.946 17.0-174.0-131.5 108.4 20.2 31.2 13.0 183 11 D T - 0 0 65 -2,-0.5 25,-3.4 24,-0.2 27,-0.4 0.798 34.9-154.2 -62.0 -35.7 20.5 31.7 9.3 184 12 D G - 0 0 18 1,-0.2 27,-0.1 23,-0.2 -1,-0.1 -0.032 28.9 -73.1 74.1 177.0 21.6 28.1 8.8 185 13 D P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.516 92.1 102.5 -93.1 -3.1 23.7 26.8 5.9 186 14 D k S S- 0 0 44 24,-0.4 23,-0.2 -3,-0.3 24,-0.1 -0.233 71.8-122.6 -82.5 175.1 21.3 26.8 3.0 187 15 D K + 0 0 92 22,-0.1 22,-0.2 2,-0.1 2,-0.1 0.307 66.0 115.0-107.9 13.0 21.4 29.5 0.3 188 16 D A - 0 0 1 20,-3.4 2,-0.4 1,-0.1 22,-0.1 -0.425 56.2-142.4 -76.5 160.0 18.0 31.1 0.3 189 17 D R + 0 0 100 57,-0.3 2,-0.4 -2,-0.1 -58,-0.3 -0.698 41.9 155.3-117.8 70.1 17.5 34.7 1.2 190 18 D I E -G 207 0D 38 17,-2.1 17,-2.9 -2,-0.4 2,-0.4 -0.836 41.9-123.8-113.7 136.6 14.2 34.6 3.1 191 19 D I E +G 206 0D 22 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.531 37.3 164.7 -78.7 128.0 13.0 36.9 5.8 192 20 D R E -G 205 0D 18 13,-2.5 13,-1.6 -2,-0.4 2,-0.4 -0.867 30.8-116.4-130.9 169.7 12.0 35.4 9.1 193 21 D Y E -GH 204 217D 24 24,-2.7 24,-2.7 -2,-0.3 2,-0.4 -0.873 23.4-174.9-112.0 146.4 11.4 36.8 12.5 194 22 D F E -G 203 0D 24 9,-2.2 9,-2.7 -2,-0.4 2,-0.5 -0.987 31.2-113.4-132.5 143.0 13.2 36.2 15.7 195 23 D Y E -G 202 0D 14 -2,-0.4 2,-0.9 7,-0.3 7,-0.3 -0.677 23.4-153.5 -73.7 124.4 12.4 37.4 19.2 196 24 D N E >>> -G 201 0D 33 5,-2.9 4,-2.5 -2,-0.5 5,-1.0 -0.834 13.6-178.0 -98.8 93.5 15.1 39.9 20.4 197 25 D A T 345S+ 0 0 40 -2,-0.9 -1,-0.2 -20,-0.5 3,-0.2 0.922 82.5 55.1 -58.1 -47.1 14.9 39.5 24.1 198 26 D K T 345S+ 0 0 201 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.779 118.3 36.6 -53.5 -30.3 17.5 42.2 24.6 199 27 D A T <45S- 0 0 51 -3,-0.9 -1,-0.2 2,-0.3 -2,-0.2 0.601 105.3-123.6-102.5 -20.6 15.3 44.5 22.6 200 28 D G T <5S+ 0 0 52 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.538 78.6 58.8 92.1 2.6 11.8 43.4 23.7 201 29 D L E - 0 0 39 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.928 68.0-152.8-114.2 133.0 4.8 35.1 11.0 220 48 D A H > S+ 0 0 35 -2,-0.4 4,-2.1 1,-0.2 5,-0.3 0.776 100.4 60.4 -70.4 -25.6 5.5 38.2 13.2 221 49 D E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.978 107.6 44.9 -58.7 -52.7 2.2 37.6 14.9 222 50 D D H > S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.769 111.0 54.1 -60.4 -39.2 3.4 34.1 16.0 223 51 D l H X>S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.7 0.963 112.4 40.4 -63.5 -53.3 6.8 35.4 17.1 224 52 D M H X5S+ 0 0 120 -4,-2.1 4,-1.0 3,-0.2 -2,-0.2 0.845 119.1 48.8 -71.6 -25.2 5.5 38.1 19.4 225 53 D R H <5S+ 0 0 167 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.944 117.8 38.5 -73.0 -52.4 2.8 35.7 20.6 226 54 D T H <5S+ 0 0 57 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.910 135.0 20.3 -63.6 -42.5 5.2 32.8 21.2 227 55 D j H <5 0 0 0 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.758 360.0 360.0-110.6 -25.3 8.0 34.8 22.6 228 56 D G << 0 0 61 -4,-1.0 -3,-0.2 -5,-0.7 -1,-0.1 0.620 360.0 360.0 -69.3 360.0 6.7 38.2 23.8 229 !* 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 0.0 230 1 E R 0 0 163 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 152.7 1.9 7.3 5.6 231 2 E P > - 0 0 48 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.346 360.0-127.1 -60.8 139.0 2.6 7.6 1.9 232 3 E D G > S+ 0 0 131 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.819 106.6 67.0 -60.1 -29.2 5.9 5.9 1.2 233 4 E F G > S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.779 83.8 75.7 -64.2 -22.8 7.2 9.0 -0.7 234 5 E m G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 20,-0.2 0.691 90.4 57.1 -57.9 -19.7 7.1 10.7 2.7 235 6 E L G < S+ 0 0 95 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.545 84.2 103.8 -87.4 -16.6 10.3 8.7 3.5 236 7 E E S < S- 0 0 104 -3,-1.7 16,-0.2 -4,-0.3 3,-0.1 -0.415 78.9-110.4 -70.7 137.7 12.3 10.0 0.5 237 8 E P - 0 0 90 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.373 47.3 -85.8 -65.9 154.4 14.9 12.7 1.2 238 9 E P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.263 39.1-142.5 -64.0 143.7 14.1 16.1 -0.1 239 10 E Y - 0 0 89 33,-0.3 31,-0.3 1,-0.2 26,-0.2 -0.896 18.2-176.7-116.1 106.6 15.0 16.8 -3.8 240 11 E T - 0 0 66 -2,-0.6 25,-2.5 24,-0.2 27,-0.4 0.919 35.2-158.5 -68.2 -40.1 16.3 20.3 -4.6 241 12 E G - 0 0 17 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.029 29.7 -67.4 82.3 170.7 16.5 19.4 -8.3 242 13 E P S S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.591 96.5 96.5 -79.5 -10.6 18.5 20.9 -11.2 243 14 E n - 0 0 42 24,-0.5 23,-0.2 -3,-0.3 24,-0.1 -0.354 69.5-133.6 -83.8 170.4 16.9 24.4 -11.5 244 15 E K + 0 0 158 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.185 62.7 112.0-115.1 15.4 18.5 27.4 -9.8 245 16 E A - 0 0 3 20,-2.5 2,-0.3 -227,-0.0 22,-0.1 -0.371 62.1-134.4 -72.8 170.5 15.7 29.2 -8.0 246 17 E R + 0 0 94 -229,-0.2 2,-0.4 -2,-0.1 -57,-0.3 -0.721 36.8 166.5-130.8 79.2 15.8 29.2 -4.2 247 18 E I E -I 264 0E 31 17,-2.9 17,-3.1 -2,-0.3 2,-0.5 -0.783 35.9-124.7 -99.5 130.3 12.2 28.4 -3.1 248 19 E I E +I 263 0E 22 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.651 40.6 165.8 -71.6 126.7 11.2 27.4 0.4 249 20 E R E -I 262 0E 27 13,-2.4 13,-2.6 -2,-0.5 2,-0.3 -0.918 30.9-121.5-132.6 161.8 9.3 24.1 0.4 250 21 E Y E +IJ 261 274E 28 24,-2.7 24,-2.9 -2,-0.3 2,-0.3 -0.787 25.9 177.7-103.9 148.5 8.3 21.6 3.1 251 22 E F E -I 260 0E 22 9,-1.6 9,-2.1 -2,-0.3 2,-0.5 -0.948 33.3-108.3-139.6 155.0 9.3 17.9 3.2 252 23 E Y E -I 259 0E 17 -2,-0.3 2,-0.7 7,-0.2 7,-0.3 -0.795 24.7-149.5 -94.0 132.3 8.5 15.3 5.8 253 24 E N E >> -I 258 0E 16 5,-3.3 5,-2.0 -2,-0.5 4,-1.5 -0.887 8.4-168.9-100.9 108.8 11.4 14.1 8.0 254 25 E A T 45S+ 0 0 54 -2,-0.7 3,-0.3 -20,-0.2 -1,-0.2 0.924 88.3 49.3 -50.2 -58.1 11.1 10.5 9.1 255 26 E K T 45S+ 0 0 178 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.932 120.2 36.1 -50.2 -56.7 13.9 10.7 11.6 256 27 E A T 45S- 0 0 40 2,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.609 105.0-130.8 -73.4 -21.1 12.6 13.9 13.2 257 28 E G T <5S+ 0 0 39 -4,-1.5 2,-0.3 -3,-0.3 -3,-0.2 0.806 72.7 67.4 69.1 33.8 8.9 12.8 12.7 258 29 E L E - 0 0 34 1,-0.1 4,-2.8 -26,-0.1 -1,-0.1 -0.887 66.0-156.7-112.6 131.5 2.0 24.2 2.4 277 48 E A H > S+ 0 0 26 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.795 102.2 55.3 -69.3 -30.2 3.3 23.0 5.8 278 49 E E H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.953 109.5 47.1 -64.4 -48.8 -0.3 22.2 6.6 279 50 E D H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.918 112.8 49.3 -56.8 -46.2 -0.4 20.0 3.5 280 51 E o H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.949 112.9 45.6 -58.4 -49.8 2.9 18.4 4.4 281 52 E M H X S+ 0 0 96 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.861 116.2 45.4 -64.8 -38.8 1.9 17.6 8.0 282 53 E R H < S+ 0 0 161 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.956 116.8 44.3 -71.5 -46.6 -1.5 16.2 7.0 283 54 E T H < S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.919 129.6 21.2 -65.1 -41.8 -0.2 14.1 4.1 284 55 E m H < 0 0 0 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.719 360.0 360.0-106.6 -16.9 2.9 12.7 5.8 285 56 E G < 0 0 70 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.1 0.164 360.0 360.0 -98.5 360.0 2.4 12.8 9.5