==== 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 HYDROLASE INHIBITOR 05-NOV-98 1BZ5 . COMPND 2 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.HAMIAUX,T.PRANGE,M.RIES-KAUTT,A.DUCRUIX,S.LAFONT,J.P.ASTIE . 280 5 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 50.0 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 17.9 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 . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.4 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 . 10 3.6 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 0 165 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 150.6 53.2 55.7 73.5 2 2 A P > - 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.231 360.0-120.7 -60.1 150.4 53.6 52.0 72.8 3 3 A D G > S+ 0 0 139 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.777 108.5 66.9 -65.5 -28.9 56.9 50.8 71.2 4 4 A F G > S+ 0 0 38 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.696 84.6 74.0 -66.9 -16.4 55.2 49.3 68.1 5 5 A a G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.637 91.5 58.4 -69.8 -13.0 54.2 52.9 67.2 6 6 A L G < S+ 0 0 105 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.523 83.2 101.4 -93.3 -10.9 57.9 53.3 66.2 7 7 A E S < S- 0 0 47 -3,-1.2 16,-0.1 -4,-0.2 18,-0.1 -0.468 78.4-108.2 -78.1 148.1 58.0 50.5 63.6 8 8 A P - 0 0 101 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.333 47.8 -83.6 -68.8 154.6 57.8 51.2 59.8 9 9 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.354 42.4-149.8 -63.3 142.3 54.6 50.4 58.0 10 10 A Y - 0 0 90 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.945 16.5-175.7-120.4 112.1 54.4 46.7 56.8 11 11 A T - 0 0 69 -2,-0.5 25,-2.8 24,-0.2 27,-0.4 0.894 33.4-154.5 -71.5 -41.6 52.4 45.9 53.7 12 12 A G - 0 0 22 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.121 29.9 -67.4 90.3 170.7 52.8 42.2 53.9 13 13 A P S S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.581 94.3 104.1 -75.5 -14.6 52.8 39.3 51.4 14 14 A b - 0 0 40 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.319 69.9-129.8 -75.7 156.6 49.2 39.5 50.4 15 15 A K + 0 0 151 22,-0.1 22,-0.1 2,-0.1 -1,-0.1 0.342 66.0 110.6 -87.1 3.3 47.8 40.9 47.1 16 16 A A - 0 0 4 20,-2.4 2,-0.4 1,-0.1 22,-0.1 -0.376 58.2-142.9 -78.4 157.0 45.1 43.4 48.3 17 17 A R + 0 0 103 57,-0.3 2,-0.4 -2,-0.1 228,-0.3 -0.706 39.0 157.3-120.5 76.5 45.4 47.2 48.0 18 18 A I E -A 35 0A 44 17,-2.2 17,-3.4 -2,-0.4 2,-0.4 -0.851 40.1-124.4-105.4 135.0 43.7 48.4 51.2 19 19 A I E +A 34 0A 24 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.630 37.8 164.9 -82.0 131.1 44.4 51.7 52.9 20 20 A R E -A 33 0A 22 13,-2.3 13,-1.9 -2,-0.4 2,-0.3 -0.844 30.1-119.1-134.5 169.8 45.5 51.6 56.5 21 21 A Y E -AB 32 45A 25 24,-2.4 24,-2.6 -2,-0.3 2,-0.3 -0.883 24.0-177.8-117.3 146.8 47.0 54.1 58.9 22 22 A F E -A 31 0A 22 9,-2.3 9,-2.6 -2,-0.3 2,-0.5 -0.961 32.6-108.0-138.2 154.0 50.4 53.9 60.7 23 23 A Y E -A 30 0A 12 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.761 22.2-153.3 -87.7 125.9 52.0 56.3 63.1 24 24 A N E >> -A 29 0A 42 5,-2.6 4,-2.0 -2,-0.5 5,-1.2 -0.872 6.8-165.6 -98.1 98.7 54.9 58.2 61.7 25 25 A A T 45S+ 0 0 45 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.856 85.8 49.2 -54.2 -40.8 57.0 58.9 64.8 26 26 A K T 45S+ 0 0 204 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.975 115.3 41.8 -65.0 -52.6 59.2 61.5 63.0 27 27 A A T 45S- 0 0 53 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.722 104.4-133.2 -67.0 -21.6 56.2 63.4 61.5 28 28 A G T <5S+ 0 0 43 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.724 72.5 74.7 75.0 21.7 54.4 63.1 64.8 29 29 A L E - 0 0 38 1,-0.1 4,-1.5 -26,-0.1 -1,-0.1 -0.938 69.0-150.7-117.6 131.8 40.7 53.9 61.8 48 48 A A H > S+ 0 0 35 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.784 100.7 61.2 -66.6 -29.4 42.7 57.1 61.9 49 49 A E H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 105.4 46.8 -61.2 -47.8 41.0 58.0 65.2 50 50 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.833 109.3 55.3 -62.3 -37.0 42.4 54.8 66.7 51 51 A c H X>S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.5 0.938 109.7 43.9 -64.6 -47.3 45.9 55.6 65.4 52 52 A M H X5S+ 0 0 113 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.867 117.3 45.7 -65.0 -42.0 46.1 59.1 66.9 53 53 A R H <5S+ 0 0 161 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.911 117.8 41.8 -69.6 -43.4 44.8 58.0 70.3 54 54 A T H <5S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.928 134.7 17.1 -71.0 -45.3 46.9 54.8 70.5 55 55 A a H <5 0 0 0 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.651 360.0 360.0-103.6 -20.5 50.1 56.3 69.3 56 56 A G << 0 0 67 -4,-1.6 -27,-0.1 -5,-0.5 -31,-0.0 -0.421 360.0 360.0 -69.9 360.0 49.7 60.1 69.6 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 0 163 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 151.1 33.5 27.8 70.7 59 2 B P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.246 360.0-120.7 -60.9 150.6 32.2 26.3 67.4 60 3 B D G > S+ 0 0 137 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.780 108.6 66.9 -65.0 -29.1 34.3 23.7 65.6 61 4 B F G > S+ 0 0 38 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.712 84.7 73.7 -66.9 -17.4 34.5 25.8 62.4 62 5 B d G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.643 90.3 59.9 -68.3 -14.5 36.5 28.3 64.4 63 6 B L G < S+ 0 0 105 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.482 83.0 106.3 -92.2 -6.0 39.4 25.8 64.2 64 7 B E S < S- 0 0 47 -3,-1.4 18,-0.1 -4,-0.2 16,-0.1 -0.407 75.6-112.2 -74.4 150.6 39.5 25.9 60.4 65 8 B P - 0 0 103 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.423 48.0 -84.9 -77.2 155.9 42.3 27.6 58.5 66 9 B P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.358 41.8-149.8 -63.8 142.7 41.2 30.7 56.5 67 10 B Y - 0 0 91 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.950 16.7-176.1-120.9 111.9 39.9 29.9 53.0 68 11 B T - 0 0 67 -2,-0.5 25,-2.9 24,-0.2 27,-0.4 0.896 33.7-154.6 -70.9 -42.1 40.4 32.5 50.2 69 12 B G - 0 0 22 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.129 30.0 -67.0 90.3 171.3 38.4 30.5 47.6 70 13 B P S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.588 94.3 104.7 -75.5 -15.1 38.5 30.4 43.7 71 14 B e - 0 0 41 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.302 69.8-129.3 -75.5 157.9 37.2 34.0 43.1 72 15 B K + 0 0 154 22,-0.1 22,-0.1 2,-0.1 2,-0.1 0.298 66.5 109.2 -87.8 2.7 39.3 36.9 41.9 73 16 B A - 0 0 4 20,-2.4 2,-0.4 1,-0.1 22,-0.1 -0.421 58.3-143.3 -80.3 157.0 38.4 39.7 44.5 74 17 B R + 0 0 101 57,-0.3 2,-0.4 -2,-0.1 -57,-0.3 -0.711 38.8 157.8-120.8 75.5 40.8 41.0 47.2 75 18 B I E -C 92 0B 45 17,-2.1 17,-3.4 -2,-0.4 2,-0.4 -0.851 40.1-123.7-104.1 135.4 38.5 41.6 50.1 76 19 B I E +C 91 0B 22 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.639 38.3 164.9 -81.9 129.7 39.6 41.7 53.7 77 20 B R E -C 90 0B 23 13,-2.4 13,-1.8 -2,-0.4 2,-0.4 -0.829 30.0-119.4-133.2 169.8 37.8 39.3 56.1 78 21 B Y E -CD 89 102B 26 24,-2.5 24,-2.5 -2,-0.3 2,-0.3 -0.899 24.0-178.3-117.3 145.9 38.5 38.1 59.6 79 22 B F E -C 88 0B 21 9,-2.4 9,-2.6 -2,-0.4 2,-0.5 -0.961 32.8-108.3-137.4 153.9 39.1 34.5 60.8 80 23 B Y E -C 87 0B 12 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.757 22.2-153.5 -87.0 125.4 39.7 33.1 64.2 81 24 B N E >> -C 86 0B 41 5,-2.6 4,-2.0 -2,-0.5 5,-1.2 -0.872 6.7-166.4 -98.2 98.3 43.3 31.9 64.8 82 25 B A T 45S+ 0 0 46 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.845 85.8 50.8 -54.2 -39.1 42.9 29.3 67.5 83 26 B K T 45S+ 0 0 205 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.955 115.2 40.4 -65.4 -50.9 46.6 29.2 68.2 84 27 B A T 45S- 0 0 54 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.698 104.3-132.3 -71.3 -20.8 46.9 33.0 68.6 85 28 B G T <5S+ 0 0 45 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.719 73.3 75.4 75.3 20.3 43.6 33.1 70.5 86 29 B L E - 0 0 39 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.939 69.1-150.6-115.4 131.7 33.1 42.2 61.1 105 48 B A H > S+ 0 0 35 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.795 100.7 61.1 -65.8 -30.2 35.9 41.7 63.7 106 49 B E H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.939 105.4 46.6 -60.6 -47.1 33.3 42.2 66.4 107 50 B D H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.841 109.9 54.6 -63.5 -37.5 31.4 39.1 65.2 108 51 B f H X>S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.5 0.937 109.9 44.4 -64.1 -48.4 34.6 37.1 64.9 109 52 B M H X5S+ 0 0 113 -4,-2.2 4,-1.2 3,-0.2 -2,-0.2 0.834 117.9 45.0 -64.2 -39.3 35.6 37.7 68.6 110 53 B R H <5S+ 0 0 162 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.909 117.7 41.9 -73.2 -44.0 32.1 37.0 69.9 111 54 B T H <5S+ 0 0 58 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.917 134.4 17.6 -70.7 -44.0 31.4 33.9 67.9 112 55 B d H <5 0 0 0 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.642 360.0 360.0-104.6 -20.1 34.8 32.3 68.3 113 56 B G << 0 0 67 -4,-1.2 -27,-0.1 -5,-0.5 -31,-0.0 -0.426 360.0 360.0 -70.4 360.0 36.4 34.1 71.2 114 !* 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 0 163 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 151.1 9.6 33.9 47.3 116 2 C P > - 0 0 50 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.222 360.0-120.6 -60.3 150.4 10.1 35.6 43.9 117 3 C D G > S+ 0 0 132 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.778 108.6 66.9 -64.9 -28.9 11.1 33.6 40.9 118 4 C F G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.705 84.8 73.8 -67.1 -16.8 14.3 35.6 40.3 119 5 C g G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.638 90.4 59.5 -69.0 -14.3 15.6 34.2 43.6 120 6 C L G < S+ 0 0 100 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.491 83.3 105.8 -92.5 -5.6 16.1 30.9 41.7 121 7 C E S < S- 0 0 104 -3,-1.4 18,-0.1 -4,-0.2 16,-0.1 -0.419 76.0-111.4 -78.1 148.4 18.5 32.4 39.1 122 8 C P - 0 0 93 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.421 47.9 -85.2 -72.9 154.4 22.2 31.7 39.3 123 9 C P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.339 41.6-149.7 -62.7 143.1 24.5 34.6 40.2 124 10 C Y - 0 0 87 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.950 16.5-175.9-121.4 111.7 25.4 36.8 37.2 125 11 C T - 0 0 67 -2,-0.5 25,-2.9 24,-0.2 27,-0.4 0.889 33.6-154.4 -70.9 -42.0 28.8 38.6 37.2 126 12 C G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.117 29.9 -67.2 90.4 171.2 28.2 40.5 34.0 127 13 C P S S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.576 95.4 101.8 -75.9 -14.4 30.6 42.0 31.3 128 14 C h - 0 0 42 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.313 69.9-130.5 -76.6 158.9 32.1 44.7 33.5 129 15 C K + 0 0 155 22,-0.1 22,-0.1 2,-0.1 -1,-0.1 0.380 64.5 111.8 -91.2 1.1 35.6 44.6 35.1 130 16 C A - 0 0 5 20,-2.4 2,-0.4 1,-0.1 22,-0.1 -0.345 58.3-142.2 -73.5 157.4 35.0 45.6 38.7 131 17 C R + 0 0 111 57,-0.3 2,-0.4 20,-0.1 -57,-0.3 -0.718 39.2 157.8-120.7 76.2 35.4 43.0 41.6 132 18 C I E -E 149 0C 44 17,-2.1 17,-3.3 -2,-0.4 2,-0.4 -0.852 40.1-123.7-104.7 135.7 32.6 44.0 43.9 133 19 C I E +E 148 0C 24 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.639 38.1 165.0 -82.8 130.5 31.0 41.6 46.5 134 20 C R E -E 147 0C 22 13,-2.4 13,-1.8 -2,-0.4 2,-0.3 -0.840 29.8-119.7-133.6 169.4 27.3 41.1 46.2 135 21 C Y E -EF 146 159C 25 24,-2.5 24,-2.6 -2,-0.3 2,-0.3 -0.889 23.9-177.9-117.4 147.4 24.9 38.6 47.6 136 22 C F E -E 145 0C 23 9,-2.4 9,-2.5 -2,-0.3 2,-0.5 -0.965 32.7-107.9-138.5 153.3 22.6 36.2 45.8 137 23 C Y E -E 144 0C 11 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.745 22.4-153.5 -86.8 125.3 20.1 33.7 47.1 138 24 C N E >> -E 143 0C 39 5,-2.6 4,-1.9 -2,-0.5 5,-1.2 -0.874 6.4-167.3 -97.9 99.2 21.2 30.0 46.8 139 25 C A T 45S+ 0 0 47 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.856 85.8 52.8 -55.3 -38.4 17.9 28.2 46.5 140 26 C K T 45S+ 0 0 99 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.949 115.1 38.5 -63.0 -52.4 19.7 24.8 47.1 141 27 C A T 45S- 0 0 53 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.658 104.3-130.9 -74.0 -19.4 21.5 25.9 50.2 142 28 C G T <5S+ 0 0 43 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.722 74.5 74.5 74.7 21.1 18.5 27.9 51.5 143 29 C L E - 0 0 39 1,-0.1 4,-1.5 -26,-0.1 -1,-0.1 -0.936 68.9-150.6-116.0 131.9 22.9 44.1 51.5 162 48 C A H > S+ 0 0 36 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.796 100.9 60.9 -66.2 -29.7 22.6 40.5 52.9 163 49 C E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 105.5 46.5 -61.1 -47.6 19.7 41.7 55.1 164 50 C D H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.831 109.7 55.3 -62.9 -35.7 17.8 42.6 51.9 165 51 C i H X>S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.5 0.941 109.7 44.0 -65.9 -46.7 18.7 39.2 50.3 166 52 C M H X5S+ 0 0 110 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.891 117.3 45.5 -65.1 -43.5 17.3 37.1 53.2 167 53 C R H <5S+ 0 0 162 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.909 117.7 42.1 -68.8 -42.6 14.1 39.1 53.5 168 54 C T H <5S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.931 134.3 17.5 -71.3 -45.3 13.4 39.3 49.8 169 55 C g H <5 0 0 0 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.655 360.0 360.0-103.0 -20.6 14.3 35.6 49.0 170 56 C G << 0 0 69 -4,-2.0 -27,-0.1 -5,-0.5 -31,-0.0 -0.418 360.0 360.0 -70.1 360.0 14.3 33.8 52.4 171 !* 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 0.0 172 1 D R 0 0 164 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 150.6 13.8 65.8 35.7 173 2 D P > - 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.217 360.0-120.7 -59.8 150.7 17.2 67.5 34.8 174 3 D D G > S+ 0 0 140 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.793 108.6 66.9 -65.1 -30.0 18.5 67.1 31.3 175 4 D F G > S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.697 84.7 73.9 -66.1 -16.3 21.7 65.5 32.5 176 5 D j G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.2 -1,-0.3 0.627 91.7 58.0 -69.8 -12.9 19.6 62.5 33.6 177 6 D L G < S+ 0 0 104 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.514 83.3 101.7 -93.8 -11.8 19.3 61.6 29.9 178 7 D E S < S- 0 0 48 -3,-1.2 16,-0.1 -4,-0.2 18,-0.1 -0.485 78.3-107.7 -77.2 148.1 23.0 61.3 29.2 179 8 D P - 0 0 106 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.326 47.5 -83.7 -68.4 154.1 24.7 57.8 29.0 180 9 D P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.330 42.2-150.2 -62.7 142.6 27.0 56.7 31.8 181 10 D Y - 0 0 93 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.947 16.1-175.4-121.3 111.0 30.6 58.0 31.5 182 11 D T - 0 0 70 -2,-0.5 25,-2.9 24,-0.2 27,-0.4 0.896 33.5-153.1 -70.0 -41.7 33.4 55.8 32.9 183 12 D G - 0 0 22 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.126 29.5 -68.9 91.0 169.9 36.2 58.3 32.2 184 13 D P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.574 94.3 104.5 -76.0 -14.2 39.9 58.0 31.5 185 14 D k - 0 0 40 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.311 69.8-128.8 -75.8 159.3 41.0 57.0 35.0 186 15 D K + 0 0 156 22,-0.1 22,-0.1 2,-0.1 -1,-0.1 0.363 66.3 108.9 -88.2 -0.1 41.9 53.5 36.1 187 16 D A - 0 0 4 20,-2.4 2,-0.4 1,-0.1 22,-0.1 -0.367 58.5-142.9 -78.3 157.5 39.8 52.8 39.2 188 17 D R + 0 0 105 57,-0.3 2,-0.4 -2,-0.1 -57,-0.3 -0.714 39.1 157.8-120.2 75.4 36.8 50.3 39.2 189 18 D I E -G 206 0D 42 17,-2.2 17,-3.4 -2,-0.4 2,-0.4 -0.850 40.1-123.7-104.1 135.8 34.3 52.1 41.4 190 19 D I E +G 205 0D 22 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.645 38.0 165.3 -82.6 130.1 30.6 51.4 41.4 191 20 D R E -G 204 0D 20 13,-2.4 13,-1.9 -2,-0.4 2,-0.3 -0.831 29.7-119.8-133.1 169.1 28.4 54.4 40.7 192 21 D Y E -GH 203 216D 22 24,-2.4 24,-2.5 -2,-0.3 2,-0.3 -0.889 24.0-178.2-117.0 146.7 24.7 54.9 39.8 193 22 D F E -G 202 0D 21 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -0.968 32.6-107.9-139.0 153.2 23.2 56.6 36.7 194 23 D Y E -G 201 0D 12 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.742 22.2-153.9 -86.5 125.4 19.7 57.2 35.7 195 24 D N E >> -G 200 0D 40 5,-2.6 4,-2.0 -2,-0.5 5,-1.2 -0.868 6.0-165.7 -98.8 98.8 18.5 55.0 32.8 196 25 D A T 45S+ 0 0 46 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.835 85.9 50.9 -54.4 -36.9 15.8 57.1 31.2 197 26 D K T 45S+ 0 0 193 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.964 114.9 40.4 -66.1 -54.9 14.5 54.1 29.2 198 27 D A T 45S- 0 0 49 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.701 104.3-132.4 -68.1 -21.7 14.3 51.7 32.1 199 28 D G T <5S+ 0 0 43 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.731 73.3 74.2 75.5 21.5 12.9 54.5 34.3 200 29 D L E - 0 0 39 1,-0.1 4,-1.5 -26,-0.1 -1,-0.1 -0.937 69.1-150.2-116.6 132.2 24.2 57.1 46.4 219 48 D A H > S+ 0 0 38 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.804 100.9 61.0 -65.4 -30.1 21.3 55.3 44.7 220 49 D E H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 105.4 46.7 -61.3 -46.7 18.9 57.3 47.0 221 50 D D H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.829 109.8 54.7 -63.4 -36.4 20.3 60.5 45.4 222 51 D l H X>S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.5 0.941 109.6 44.8 -65.7 -47.4 19.9 59.1 41.9 223 52 D M H X5S+ 0 0 111 -4,-2.3 4,-1.7 3,-0.2 -2,-0.2 0.867 117.6 44.7 -62.9 -43.9 16.2 58.2 42.3 224 53 D R H <5S+ 0 0 159 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.903 117.5 42.7 -69.4 -43.9 15.3 61.6 43.9 225 54 D T H <5S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.934 134.3 17.2 -70.1 -45.7 17.3 63.7 41.5 226 55 D j H <5 0 0 0 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.645 360.0 360.0-102.8 -20.6 16.3 61.9 38.3 227 56 D G << 0 0 66 -4,-1.7 -27,-0.1 -5,-0.5 -31,-0.0 -0.422 360.0 360.0 -70.1 360.0 13.3 59.9 39.2 228 !* 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 0.0 229 1 E R 0 0 165 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 150.3 41.0 79.5 51.7 230 2 E P > - 0 0 48 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.222 360.0-120.6 -60.2 150.5 44.4 77.7 52.4 231 3 E D G > S+ 0 0 131 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.775 108.7 66.8 -65.1 -28.6 47.1 77.8 49.8 232 4 E F G > S+ 0 0 41 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.709 84.8 73.9 -67.4 -16.9 47.3 74.0 49.5 233 5 E m G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.642 90.6 59.0 -68.7 -13.9 43.8 74.2 48.0 234 6 E L G < S+ 0 0 100 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.501 83.3 105.8 -92.6 -7.3 45.4 75.5 44.9 235 7 E E S < S- 0 0 106 -3,-1.4 16,-0.1 -4,-0.2 18,-0.1 -0.419 76.0-111.4 -76.6 146.5 47.7 72.5 44.3 236 8 E P - 0 0 91 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.399 47.7 -84.8 -71.6 154.3 46.9 69.9 41.6 237 9 E P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.339 42.0-149.8 -62.3 143.4 45.8 66.5 42.7 238 10 E Y - 0 0 89 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.951 16.7-175.9-121.5 111.8 48.6 64.1 43.6 239 11 E T - 0 0 67 -2,-0.5 25,-2.9 24,-0.2 27,-0.4 0.889 33.5-154.3 -71.1 -41.6 48.2 60.4 43.1 240 12 E G - 0 0 21 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.110 29.9 -67.8 90.1 171.0 51.5 59.4 44.5 241 13 E P S S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.573 94.3 104.6 -76.1 -13.7 53.8 56.3 44.0 242 14 E n - 0 0 38 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.312 69.8-129.2 -76.4 158.5 51.6 53.7 45.6 243 15 E K + 0 0 147 22,-0.1 22,-0.1 2,-0.1 2,-0.1 0.283 66.1 109.3 -89.3 6.1 49.5 51.1 43.7 244 16 E A - 0 0 4 20,-2.5 2,-0.4 1,-0.0 22,-0.1 -0.441 58.3-142.7 -82.7 157.0 46.0 51.5 45.2 245 17 E R + 0 0 103 -228,-0.3 2,-0.4 -2,-0.1 -57,-0.3 -0.712 39.1 157.6-119.9 76.1 43.0 52.9 43.3 246 18 E I E -I 263 0E 45 17,-2.2 17,-3.4 -2,-0.4 2,-0.4 -0.857 40.1-123.7-104.8 135.1 41.2 54.8 46.0 247 19 E I E +I 262 0E 25 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.625 38.0 165.2 -81.7 130.4 38.8 57.7 45.3 248 20 E R E -I 261 0E 22 13,-2.3 13,-1.8 -2,-0.4 2,-0.3 -0.840 29.8-119.9-133.3 169.2 39.7 61.0 47.0 249 21 E Y E -IJ 260 273E 26 24,-2.4 24,-2.6 -2,-0.3 2,-0.3 -0.889 24.0-178.3-116.8 147.2 38.5 64.6 46.6 250 22 E F E -I 259 0E 21 9,-2.3 9,-2.5 -2,-0.3 2,-0.5 -0.963 32.8-107.7-139.1 153.8 40.6 67.7 45.8 251 23 E Y E -I 258 0E 12 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.758 22.4-153.4 -87.8 125.0 39.6 71.3 45.4 252 24 E N E >> -I 257 0E 41 5,-2.6 4,-2.0 -2,-0.5 5,-1.2 -0.870 6.5-166.7 -97.7 98.8 39.6 72.5 41.8 253 25 E A T 45S+ 0 0 49 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.856 86.0 51.4 -54.3 -40.2 40.3 76.2 42.2 254 26 E K T 45S+ 0 0 99 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.936 115.3 39.9 -64.3 -49.0 39.3 76.9 38.5 255 27 E A T 45S- 0 0 52 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.687 104.0-132.1 -74.3 -20.4 36.0 75.1 38.7 256 28 E G T <5S+ 0 0 44 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.727 73.7 74.9 74.8 21.3 35.3 76.4 42.2 257 29 E L E - 0 0 42 1,-0.1 4,-1.5 -26,-0.1 -1,-0.1 -0.941 69.1-150.7-116.7 129.9 35.2 63.3 52.6 276 48 E A H > S+ 0 0 35 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.792 100.7 61.1 -64.0 -29.6 33.7 65.7 50.1 277 49 E E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 105.4 46.6 -61.5 -46.9 32.1 67.6 53.0 278 50 E D H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.833 109.9 54.6 -63.4 -36.9 35.5 68.3 54.4 279 51 E o H X>S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.5 0.936 109.9 44.7 -65.0 -47.1 36.8 69.4 51.0 280 52 E M H X5S+ 0 0 116 -4,-2.3 4,-1.8 3,-0.2 -2,-0.2 0.885 117.3 44.7 -63.9 -43.6 34.1 72.0 50.5 281 53 E R H <5S+ 0 0 161 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 117.9 42.5 -69.8 -42.3 34.3 73.4 54.0 282 54 E T H <5S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.936 133.9 17.7 -71.1 -45.9 38.1 73.5 54.1 283 55 E m H <5 0 0 0 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.647 360.0 360.0-102.9 -19.4 38.6 74.9 50.6 284 56 E G << 0 0 66 -4,-1.8 -27,-0.1 -5,-0.5 -31,-0.0 -0.432 360.0 360.0 -71.2 360.0 35.3 76.3 49.5