==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 13-JAN-10 3LDM . COMPND 2 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.S.YANG,T.G.KIM,B.S.PARK,K.H.KIM . 280 5 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 48.6 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.6 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 . 5 1.8 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 4 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 53,-0.1 0.000 360.0 360.0 360.0 131.9 77.8 16.6 -28.7 2 2 A P > - 0 0 57 0, 0.0 3,-0.7 0, 0.0 4,-0.0 -0.063 360.0-112.4 -53.9 158.5 74.5 16.9 -26.7 3 3 A D G > S+ 0 0 139 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.877 110.2 64.7 -65.5 -38.2 73.5 14.0 -24.5 4 4 A F G > S+ 0 0 37 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.784 81.3 80.3 -61.2 -27.1 70.4 13.0 -26.6 5 5 A a G < S+ 0 0 0 -3,-0.7 -1,-0.3 1,-0.3 20,-0.3 0.520 92.2 54.7 -52.0 -6.0 72.7 12.0 -29.4 6 6 A L G < S+ 0 0 102 -3,-1.9 -1,-0.3 18,-0.1 -2,-0.2 0.690 79.6 105.0-105.8 -26.7 73.3 8.8 -27.4 7 7 A E S < S- 0 0 99 -3,-1.4 18,-0.1 -4,-0.4 16,-0.1 -0.205 82.0-109.9 -43.0 138.0 69.6 7.8 -27.0 8 8 A P - 0 0 94 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.443 47.7 -81.8 -72.9 159.0 68.9 4.8 -29.4 9 9 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.318 44.6-146.8 -64.8 146.5 66.7 5.7 -32.3 10 10 A Y - 0 0 96 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.942 16.4-171.9-123.8 116.7 63.0 5.7 -31.6 11 11 A T - 0 0 71 -2,-0.5 25,-3.6 24,-0.2 27,-0.4 0.896 34.1-149.5 -72.5 -41.6 60.4 4.6 -34.2 12 12 A G - 0 0 18 23,-0.2 27,-0.1 1,-0.2 -1,-0.1 -0.129 28.9 -76.1 89.2 168.2 57.3 5.7 -32.2 13 13 A P S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.497 92.0 109.7 -80.5 -4.8 53.8 4.3 -32.1 14 14 A b - 0 0 39 24,-0.4 23,-0.2 -3,-0.3 24,-0.0 -0.248 70.0-123.6 -82.5 170.9 52.7 5.8 -35.4 15 15 A K S S+ 0 0 93 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.453 71.4 99.5 -95.7 -4.5 52.0 4.1 -38.7 16 16 A A - 0 0 6 20,-2.8 2,-0.2 1,-0.0 22,-0.1 -0.274 58.0-146.4 -75.1 168.9 54.3 5.8 -41.3 17 17 A R + 0 0 120 57,-0.2 228,-0.4 20,-0.1 2,-0.3 -0.629 36.7 159.8-136.9 74.7 57.5 4.3 -42.5 18 18 A I E -A 35 0A 61 17,-2.2 17,-2.7 -2,-0.2 2,-0.3 -0.771 41.0-115.2-106.3 137.5 59.7 7.3 -43.1 19 19 A I E +A 34 0A 22 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.580 41.5 164.1 -71.0 132.6 63.5 7.5 -43.3 20 20 A R E -A 33 0A 20 13,-2.0 13,-1.7 -2,-0.3 2,-0.4 -0.917 29.4-121.4-136.5 164.8 65.2 9.6 -40.6 21 21 A Y E -AB 32 45A 26 24,-3.4 24,-3.4 -2,-0.3 2,-0.3 -0.878 22.9-178.1-112.7 148.2 68.8 9.9 -39.4 22 22 A F E -A 31 0A 21 9,-2.0 9,-2.8 -2,-0.4 2,-0.5 -0.947 32.8-111.7-133.0 150.7 70.2 9.3 -35.9 23 23 A Y E -A 30 0A 13 -2,-0.3 2,-0.8 7,-0.3 7,-0.3 -0.770 25.8-151.4 -80.7 126.8 73.7 9.6 -34.6 24 24 A N E >> -A 29 0A 42 5,-2.8 4,-1.6 -2,-0.5 5,-1.3 -0.919 5.7-163.9-102.9 107.2 75.1 6.2 -33.7 25 25 A A T 45S+ 0 0 36 -2,-0.8 -1,-0.2 -20,-0.3 -19,-0.1 0.865 82.9 54.1 -62.7 -42.8 77.5 6.8 -30.9 26 26 A K T 45S+ 0 0 190 1,-0.2 -1,-0.1 -20,-0.1 -2,-0.0 0.977 118.0 33.0 -49.7 -76.4 79.3 3.4 -31.2 27 27 A A T 45S- 0 0 60 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.673 106.4-132.2 -53.3 -23.6 80.2 3.6 -34.9 28 28 A G T <5S+ 0 0 37 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.763 70.1 93.2 69.8 29.9 80.6 7.4 -34.5 29 29 A L E S- 0 0 37 1,-0.1 4,-1.4 -26,-0.1 -26,-0.1 -0.839 71.1-147.3-109.9 145.6 68.5 15.7 -42.8 48 48 A A H > S+ 0 0 28 -2,-0.4 4,-2.9 2,-0.2 5,-0.3 0.826 100.3 58.5 -76.2 -33.5 71.8 13.9 -42.5 49 49 A E H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 108.2 47.6 -61.5 -42.1 73.9 17.1 -42.7 50 50 A D H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 110.5 52.4 -66.9 -42.3 71.9 18.3 -39.6 51 51 A c H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.4 0.944 114.9 38.9 -58.7 -54.0 72.5 15.0 -37.8 52 52 A M H X S+ 0 0 113 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.929 117.3 50.0 -70.7 -36.5 76.3 14.9 -38.3 53 53 A R H < S+ 0 0 170 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.896 119.4 38.1 -63.4 -39.1 76.7 18.7 -37.7 54 54 A T H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.731 136.0 16.9 -81.6 -27.8 74.6 18.5 -34.4 55 55 A a H < 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.552 360.0 360.0-122.8 -12.5 75.9 15.1 -33.1 56 56 A G < 0 0 67 -4,-2.4 -27,-0.1 -5,-0.4 -4,-0.0 -0.215 360.0 360.0 -95.4 360.0 79.2 14.3 -34.9 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 0 167 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 105.1 47.8 32.9 -32.6 59 2 B P > - 0 0 52 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.125 360.0-117.0 -55.2 151.8 44.7 31.6 -34.5 60 3 B D G > S+ 0 0 137 1,-0.3 3,-2.5 2,-0.2 4,-0.4 0.879 111.9 64.3 -52.7 -43.6 42.1 29.5 -32.5 61 4 B F G > S+ 0 0 35 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.750 83.4 75.6 -60.2 -25.5 42.7 26.5 -34.8 62 5 B d G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.2 20,-0.3 0.627 95.3 52.1 -59.6 -11.6 46.3 26.3 -33.6 63 6 B L G < S+ 0 0 98 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.647 83.0 101.2-103.8 -17.0 44.9 24.8 -30.4 64 7 B E S < S- 0 0 109 -3,-1.0 16,-0.1 -4,-0.4 3,-0.1 -0.394 81.7-106.1 -60.6 139.9 42.8 21.9 -31.9 65 8 B P - 0 0 95 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.297 47.5 -80.7 -65.9 159.4 44.4 18.5 -31.7 66 9 B P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.290 43.5-146.9 -59.7 144.7 45.9 17.0 -34.9 67 10 B Y - 0 0 68 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.918 16.7-173.5-122.0 105.9 43.3 15.3 -37.2 68 11 B T - 0 0 49 -2,-0.5 25,-2.6 24,-0.2 27,-0.4 0.846 35.1-153.7 -56.3 -38.5 44.3 12.2 -39.3 69 12 B G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.169 31.7 -68.0 80.4 177.5 40.9 12.2 -41.1 70 13 B P S S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.607 98.4 98.5 -84.6 -10.1 39.1 9.2 -42.7 71 14 B e S S- 0 0 38 24,-0.3 23,-0.2 -3,-0.3 24,-0.1 -0.185 70.1-130.1 -81.7 172.3 41.5 8.6 -45.6 72 15 B K + 0 0 145 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.324 61.5 116.5-117.2 7.8 44.3 6.0 -45.6 73 16 B A - 0 0 0 20,-2.3 2,-0.2 1,-0.1 22,-0.1 -0.249 58.4-138.8 -62.7 159.5 47.4 7.7 -46.7 74 17 B R + 0 0 111 57,-0.4 2,-0.6 19,-0.1 -57,-0.2 -0.581 40.2 162.4-119.1 66.2 50.4 7.9 -44.2 75 18 B I E -C 92 0B 35 17,-2.3 17,-3.2 -2,-0.2 19,-0.1 -0.799 36.1-130.5 -97.5 116.2 51.5 11.5 -44.9 76 19 B I E +C 91 0B 28 -2,-0.6 2,-0.3 15,-0.2 15,-0.2 -0.379 38.3 163.0 -56.5 135.3 53.7 13.3 -42.5 77 20 B R E -C 90 0B 21 13,-2.1 13,-2.0 -40,-0.2 2,-0.4 -0.917 32.1-113.7-148.6 176.6 52.4 16.7 -41.5 78 21 B Y E +CD 89 102B 30 24,-2.1 24,-1.5 -2,-0.3 2,-0.3 -0.935 24.3 179.9-124.5 136.8 52.9 19.3 -38.8 79 22 B F E -C 88 0B 22 9,-2.2 9,-2.7 -2,-0.4 2,-0.6 -0.950 34.2-110.7-128.7 152.0 50.5 20.6 -36.2 80 23 B Y E -C 87 0B 20 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.763 25.5-152.5 -83.2 121.8 51.1 23.2 -33.5 81 24 B N E >> -C 86 0B 35 5,-2.1 4,-2.6 -2,-0.6 5,-1.1 -0.832 11.2-174.4 -93.5 103.8 51.2 21.6 -30.0 82 25 B A T 45S+ 0 0 46 -2,-0.8 -1,-0.2 -20,-0.3 -19,-0.1 0.939 83.5 55.3 -68.7 -43.3 50.0 24.3 -27.6 83 26 B K T 45S+ 0 0 200 1,-0.2 -1,-0.2 -20,-0.1 -2,-0.1 0.966 118.6 34.9 -46.7 -60.3 50.7 22.2 -24.5 84 27 B A T 45S- 0 0 55 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.710 105.1-127.4 -73.2 -25.3 54.4 21.8 -25.7 85 28 B G T <5S+ 0 0 48 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.757 75.2 64.3 83.1 24.5 54.8 25.2 -27.3 86 29 B L E - 0 0 39 1,-0.1 4,-1.9 -3,-0.1 -1,-0.2 -0.894 68.2-153.3-112.2 125.2 55.8 22.8 -44.0 105 48 B A H > S+ 0 0 37 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.907 101.0 58.1 -56.5 -44.6 57.2 23.0 -40.5 106 49 B E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 106.3 48.3 -51.4 -47.5 58.4 26.5 -41.2 107 50 B D H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.861 110.7 53.0 -63.6 -37.0 54.7 27.5 -42.0 108 51 B f H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 109.0 45.6 -62.8 -50.3 53.6 25.9 -38.8 109 52 B M H < S+ 0 0 122 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.896 117.2 45.2 -67.4 -34.6 55.9 27.7 -36.5 110 53 B R H < S+ 0 0 161 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.876 116.9 42.6 -78.0 -34.2 55.3 31.0 -38.1 111 54 B T H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.893 129.7 27.8 -78.1 -38.9 51.5 30.7 -38.3 112 55 B d < 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.187 360.0 360.0-107.5 16.0 51.1 29.2 -34.8 113 56 B G 0 0 72 -4,-0.5 -3,-0.1 -5,-0.1 -27,-0.1 -0.429 360.0 360.0 -95.6 360.0 54.2 30.8 -33.2 114 !* 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 0 159 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 123.4 36.9 27.9 -65.3 116 2 C P > - 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.224 360.0-131.1 -53.5 135.1 37.5 24.5 -66.9 117 3 C D G > S+ 0 0 132 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.858 104.8 68.5 -51.2 -41.3 34.5 22.2 -66.8 118 4 C F G > S+ 0 0 46 1,-0.3 3,-1.5 2,-0.2 39,-0.4 0.672 83.4 72.1 -52.5 -23.6 36.8 19.4 -65.5 119 5 C g G < S+ 0 0 0 -3,-1.8 20,-0.4 1,-0.3 -1,-0.3 0.495 91.9 59.2 -70.2 -9.7 37.3 21.4 -62.2 120 6 C L G < S+ 0 0 95 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.389 82.2 105.7 -99.8 -0.7 33.7 20.4 -61.3 121 7 C E S < S- 0 0 101 -3,-1.5 16,-0.1 -4,-0.1 3,-0.1 -0.651 80.9-108.1 -79.7 134.6 34.4 16.7 -61.5 122 8 C P - 0 0 90 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.203 48.7 -88.1 -52.9 151.4 34.7 14.8 -58.2 123 9 C P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.301 43.5-148.9 -62.7 158.0 38.3 13.8 -57.4 124 10 C Y - 0 0 96 33,-0.2 31,-0.4 1,-0.1 26,-0.1 -0.907 19.4-176.2-142.4 104.0 39.2 10.4 -58.8 125 11 C T - 0 0 65 -2,-0.4 25,-2.4 24,-0.1 27,-0.5 0.780 31.4-157.8 -70.3 -32.7 41.7 8.1 -57.1 126 12 C G - 0 0 24 1,-0.2 -1,-0.1 23,-0.1 27,-0.1 -0.084 35.0 -62.9 71.6-177.9 41.8 5.4 -59.8 127 13 C P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.417 90.8 111.2 -89.7 0.6 42.8 1.7 -59.5 128 14 C h - 0 0 46 -3,-0.4 23,-0.1 24,-0.3 24,-0.1 -0.395 68.1-123.4 -89.4 160.5 46.4 2.0 -58.5 129 15 C K S S+ 0 0 88 -2,-0.1 22,-0.2 22,-0.1 -1,-0.1 0.699 71.0 106.9 -66.9 -36.2 48.2 1.1 -55.2 130 16 C A - 0 0 4 20,-1.6 2,-0.4 1,-0.1 22,-0.1 -0.039 54.6-151.6 -54.3 155.2 49.9 4.4 -54.3 131 17 C R + 0 0 97 57,-0.2 2,-0.4 17,-0.1 -57,-0.4 -0.777 37.8 153.4-125.0 81.8 48.7 6.7 -51.5 132 18 C I E -E 149 0C 52 17,-1.4 17,-2.5 -2,-0.4 2,-0.3 -0.872 44.3-117.9-117.2 142.8 49.9 10.1 -52.7 133 19 C I E +E 148 0C 18 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.629 39.9 163.1 -79.5 135.6 48.5 13.5 -52.0 134 20 C R E -E 147 0C 17 13,-2.0 13,-1.9 -2,-0.3 2,-0.4 -0.890 30.7-118.1-140.3 175.0 47.2 15.5 -54.9 135 21 C Y E -EF 146 159C 23 24,-1.9 24,-2.6 -2,-0.3 2,-0.3 -0.904 25.1-179.9-123.3 146.9 44.9 18.5 -55.1 136 22 C F E -E 145 0C 22 9,-2.0 9,-2.7 -2,-0.4 2,-0.7 -0.957 33.8-107.0-140.3 157.8 41.5 18.9 -56.7 137 23 C Y E -E 144 0C 18 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.776 22.5-152.5 -90.6 120.4 39.2 21.8 -57.0 138 24 C N E >> -E 143 0C 42 5,-2.7 4,-2.3 -2,-0.7 5,-1.1 -0.796 8.5-167.8 -86.9 96.0 36.2 21.5 -54.7 139 25 C A T 45S+ 0 0 43 -2,-1.0 -1,-0.2 -20,-0.4 -19,-0.1 0.892 84.1 50.0 -51.6 -42.1 33.6 23.5 -56.7 140 26 C K T 45S+ 0 0 206 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.925 116.8 36.5 -69.2 -51.1 31.2 23.5 -53.7 141 27 C A T 45S- 0 0 55 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.708 107.5-131.4 -70.5 -21.1 33.6 24.7 -51.0 142 28 C G T <5 + 0 0 40 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.820 69.8 81.7 73.6 32.9 35.2 26.9 -53.7 143 29 C L E - 0 0 36 1,-0.1 4,-1.7 -3,-0.1 -1,-0.1 -0.900 69.2-149.8-121.9 131.4 50.9 21.3 -57.0 162 48 C A H > S+ 0 0 33 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.880 102.0 58.2 -66.0 -38.1 48.3 23.3 -55.0 163 49 C E H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.971 106.5 46.8 -46.3 -65.3 49.5 26.4 -56.7 164 50 C D H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.806 111.7 54.9 -49.0 -37.4 48.7 25.0 -60.2 165 51 C i H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.980 111.0 40.2 -64.9 -57.0 45.4 23.9 -58.8 166 52 C M H X S+ 0 0 109 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.944 117.3 50.4 -55.1 -50.3 44.2 27.3 -57.6 167 53 C R H < S+ 0 0 159 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.847 116.2 40.3 -63.8 -34.8 45.6 29.0 -60.6 168 54 C T H < S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.860 133.7 21.0 -79.1 -37.1 43.8 26.6 -63.0 169 55 C g H < 0 0 0 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.279 360.0 360.0-118.1 9.0 40.5 26.3 -61.2 170 56 C G < 0 0 75 -4,-2.7 -27,-0.1 -5,-0.3 -3,-0.0 -0.146 360.0 360.0 -62.6 360.0 40.5 29.5 -59.0 171 !* 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 0 148 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 145.4 60.8 9.3 -81.1 173 2 D P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 52,-0.0 -0.161 360.0-122.3 -66.7 166.1 62.6 6.2 -79.8 174 3 D D S > S+ 0 0 128 1,-0.2 3,-2.4 2,-0.2 4,-0.2 0.825 105.5 65.2 -91.3 -30.5 61.1 2.8 -79.8 175 4 D F G > S+ 0 0 32 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.793 87.9 76.9 -56.6 -24.8 61.2 2.0 -76.1 176 5 D j G 3 S+ 0 0 0 1,-0.3 20,-0.4 -3,-0.1 -1,-0.3 0.626 88.5 59.0 -56.8 -13.3 58.8 4.8 -76.0 177 6 D L G < S+ 0 0 101 -3,-2.4 -1,-0.3 18,-0.1 -2,-0.2 0.560 82.5 105.4 -97.2 -10.2 56.2 2.3 -77.3 178 7 D E S < S- 0 0 58 -3,-1.9 18,-0.1 -4,-0.2 16,-0.1 -0.239 75.2-109.6 -69.2 152.1 56.5 -0.2 -74.5 179 8 D P - 0 0 101 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.513 46.0 -86.2 -78.9 158.7 53.8 -0.6 -71.9 180 9 D P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.369 39.0-151.3 -62.3 139.4 54.6 0.5 -68.4 181 10 D Y - 0 0 85 33,-0.3 31,-0.4 1,-0.1 26,-0.2 -0.930 17.4-177.4-117.9 111.5 56.3 -2.0 -66.2 182 11 D T - 0 0 53 -2,-0.5 25,-2.7 24,-0.2 26,-0.4 0.840 34.6-154.2 -69.3 -33.1 55.7 -1.9 -62.4 183 12 D G - 0 0 14 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.060 31.0 -70.0 73.2 177.4 58.1 -4.8 -61.8 184 13 D P S S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.727 93.1 102.0 -81.4 -20.7 58.0 -7.2 -58.8 185 14 D k S S- 0 0 33 24,-0.3 23,-0.1 -3,-0.2 60,-0.0 -0.055 70.9-121.8 -75.9 169.0 59.1 -5.0 -55.8 186 15 D K + 0 0 129 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.549 66.7 112.3 -95.6 -5.3 56.8 -3.5 -53.3 187 16 D A - 0 0 1 20,-2.2 2,-0.2 1,-0.1 59,-0.1 -0.089 56.5-142.1 -61.9 162.6 57.4 0.3 -53.4 188 17 D R + 0 0 97 57,-0.3 2,-0.6 -59,-0.1 -57,-0.2 -0.581 37.7 158.6-128.6 66.1 54.6 2.7 -54.6 189 18 D I E -G 206 0D 64 17,-2.3 17,-3.0 -2,-0.2 2,-0.2 -0.828 39.3-129.4-101.9 115.5 56.6 5.3 -56.5 190 19 D I E +G 205 0D 28 -2,-0.6 2,-0.3 15,-0.2 15,-0.2 -0.426 38.3 165.7 -55.6 125.5 54.9 7.5 -59.2 191 20 D R E -G 204 0D 16 13,-2.6 13,-2.2 -40,-0.2 2,-0.4 -0.804 29.9-115.9-133.2 177.1 56.9 7.4 -62.4 192 21 D Y E -GH 203 216D 30 24,-2.2 24,-2.3 -2,-0.3 2,-0.4 -0.935 24.4-179.5-124.2 137.8 56.1 8.5 -66.0 193 22 D F E -G 202 0D 20 9,-2.4 9,-3.1 -2,-0.4 2,-0.4 -0.975 34.1-111.1-129.3 149.1 55.8 6.5 -69.2 194 23 D Y E -G 201 0D 16 -2,-0.4 2,-0.7 7,-0.3 7,-0.2 -0.688 25.8-156.0 -73.1 126.1 55.0 7.6 -72.8 195 24 D N E >> -G 200 0D 43 5,-2.2 4,-1.4 -2,-0.4 5,-1.3 -0.873 5.6-168.1-105.7 96.9 51.5 6.3 -73.8 196 25 D A T 45S+ 0 0 48 -2,-0.7 -1,-0.2 -20,-0.4 -19,-0.1 0.803 83.5 57.8 -50.6 -41.8 51.6 6.2 -77.6 197 26 D K T 45S+ 0 0 198 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.986 115.6 32.1 -54.8 -67.4 47.9 5.7 -77.8 198 27 D A T 45S- 0 0 55 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.579 107.9-128.1 -70.5 -9.4 46.9 8.8 -75.9 199 28 D G T <5S+ 0 0 42 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.783 73.1 77.7 67.3 31.1 50.0 10.6 -77.3 200 29 D L E - 0 0 39 1,-0.1 4,-2.0 -26,-0.1 -1,-0.1 -0.892 69.5-151.0-110.3 131.1 60.6 13.3 -64.3 219 48 D A H > S+ 0 0 31 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.879 101.1 56.4 -60.1 -39.2 57.6 14.1 -66.4 220 49 D E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 105.2 51.0 -60.7 -41.9 59.6 16.7 -68.3 221 50 D D H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.937 111.6 49.3 -57.8 -47.7 62.3 14.1 -69.2 222 51 D l H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.951 112.7 45.2 -59.2 -53.5 59.4 11.9 -70.5 223 52 D M H X S+ 0 0 112 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.881 117.5 45.4 -58.0 -38.6 57.8 14.6 -72.6 224 53 D R H < S+ 0 0 165 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.931 118.3 40.7 -76.8 -38.3 61.1 15.7 -74.0 225 54 D T H < S+ 0 0 60 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.854 133.2 20.8 -75.0 -38.0 62.5 12.2 -74.8 226 55 D j H < 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.237 360.0 360.0-117.9 14.0 59.2 10.7 -76.2 227 56 D G < 0 0 72 -4,-0.9 -27,-0.1 -5,-0.2 -4,-0.1 -0.188 360.0 360.0 -83.1 360.0 57.3 13.8 -77.1 228 !* 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 0 156 0, 0.0 54,-0.1 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 146.8 86.3 1.6 -58.5 230 2 E P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.291 360.0-123.7 -59.9 141.9 85.8 0.6 -54.8 231 3 E D G >> S+ 0 0 142 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.768 109.9 66.5 -60.0 -25.9 85.5 -3.1 -54.0 232 4 E F G 34 S+ 0 0 35 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.760 83.3 74.6 -67.4 -24.2 82.1 -2.3 -52.3 233 5 E m G <4 S+ 0 0 0 -3,-1.7 20,-0.4 1,-0.2 -1,-0.3 0.601 95.1 52.8 -60.2 -10.3 80.7 -1.3 -55.7 234 6 E L T <4 S+ 0 0 103 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.800 81.1 100.9 -98.8 -32.1 80.5 -5.1 -56.5 235 7 E E S < S- 0 0 65 -4,-0.6 16,-0.1 -3,-0.4 18,-0.1 -0.175 83.8 -97.2 -56.6 143.0 78.6 -6.5 -53.6 236 8 E P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 35,-0.2 -0.134 49.6 -85.7 -55.1 159.4 74.9 -7.3 -54.2 237 9 E P - 0 0 51 0, 0.0 2,-0.9 0, 0.0 35,-0.1 -0.516 39.2-144.1 -70.0 134.1 72.3 -4.6 -53.1 238 10 E Y - 0 0 84 33,-0.4 31,-0.3 -2,-0.2 26,-0.2 -0.809 19.0-177.9-110.1 93.2 71.2 -5.1 -49.5 239 11 E T - 0 0 74 -2,-0.9 25,-2.7 24,-0.2 27,-0.3 0.820 36.5-154.8 -50.9 -36.0 67.6 -4.3 -48.9 240 12 E G - 0 0 15 1,-0.2 27,-0.1 23,-0.2 -1,-0.1 0.053 27.4 -69.3 76.4 173.4 68.1 -4.9 -45.1 241 13 E P S S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.587 90.9 107.5 -75.9 -12.2 65.7 -6.0 -42.3 242 14 E n - 0 0 45 24,-0.4 23,-0.1 -3,-0.2 24,-0.1 -0.210 67.9-127.7 -84.9 167.5 63.5 -2.9 -42.0 243 15 E K S S+ 0 0 145 22,-0.1 22,-0.1 2,-0.1 -1,-0.1 0.537 70.9 100.4 -91.8 -10.1 60.0 -2.3 -43.1 244 16 E A - 0 0 4 20,-2.1 2,-0.3 1,-0.1 -226,-0.1 -0.233 60.8-142.4 -72.2 166.4 60.1 0.8 -45.2 245 17 E R + 0 0 108 -228,-0.4 2,-0.5 -59,-0.1 -57,-0.3 -0.678 33.4 162.0-131.8 81.6 60.1 0.7 -49.0 246 18 E I E -I 263 0E 46 17,-2.4 17,-3.0 -2,-0.3 2,-0.3 -0.859 39.1-121.7-109.2 129.9 62.5 3.4 -50.3 247 19 E I E +I 262 0E 21 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.526 40.2 169.1 -70.8 126.5 64.0 3.6 -53.7 248 20 E R E -I 261 0E 17 13,-2.7 13,-2.7 -2,-0.3 2,-0.3 -0.918 27.9-121.1-131.0 161.4 67.8 3.6 -53.6 249 21 E Y E -IJ 260 273E 25 24,-2.5 24,-2.0 -2,-0.3 2,-0.3 -0.707 25.7-179.9-102.5 154.0 70.5 3.2 -56.3 250 22 E F E -I 259 0E 20 9,-2.1 9,-2.5 -2,-0.3 2,-0.6 -0.981 33.1-105.5-149.8 149.5 73.2 0.5 -56.5 251 23 E Y E -I 258 0E 19 -2,-0.3 2,-1.3 7,-0.2 7,-0.2 -0.701 22.9-151.1 -82.1 121.2 76.0 -0.2 -58.9 252 24 E N E >> -I 257 0E 38 5,-3.1 4,-1.6 -2,-0.6 5,-0.9 -0.726 9.6-168.7 -93.2 89.1 75.3 -3.2 -61.1 253 25 E A T 45S+ 0 0 42 -2,-1.3 -1,-0.2 -20,-0.4 3,-0.2 0.830 84.8 48.1 -46.0 -45.4 78.9 -4.4 -61.7 254 26 E K T 45S+ 0 0 202 1,-0.2 -1,-0.2 -20,-0.1 -2,-0.1 0.996 115.5 39.1 -57.7 -73.1 77.6 -6.8 -64.3 255 27 E A T 45S- 0 0 57 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.529 107.3-127.1 -61.3 -5.1 75.4 -4.5 -66.4 256 28 E G T <5S+ 0 0 40 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.674 74.0 71.6 67.5 18.9 78.0 -1.8 -65.9 257 29 E L E - 0 0 39 1,-0.1 4,-2.0 -3,-0.1 3,-0.2 -0.887 69.1-151.7-114.0 125.9 71.4 10.0 -55.4 276 48 E A H > S+ 0 0 37 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.891 101.6 58.6 -57.8 -41.4 71.8 8.2 -58.8 277 49 E E H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 105.2 49.1 -50.0 -48.6 74.4 10.9 -59.7 278 50 E D H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 108.4 54.3 -63.3 -41.6 76.5 9.9 -56.7 279 51 E o H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.932 112.4 40.7 -59.0 -53.0 76.3 6.2 -57.6 280 52 E M H X S+ 0 0 114 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.927 115.5 53.0 -63.4 -44.1 77.6 6.6 -61.1 281 53 E R H < S+ 0 0 156 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 119.3 33.8 -56.8 -40.1 80.2 9.2 -59.9 282 54 E T H < S+ 0 0 59 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.939 134.1 22.2 -83.0 -51.5 81.5 6.8 -57.2 283 55 E m H < 0 0 0 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.545 360.0 360.0 -97.6 -9.4 81.1 3.3 -58.9 284 56 E G < 0 0 58 -4,-2.2 -27,-0.1 -5,-0.5 -31,-0.0 -0.333 360.0 360.0 -80.8 360.0 81.1 4.2 -62.6