==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 03-FEB-11 3AUH . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.M.ISLAM,A.KATO,M.M.A.KHAN,K.NOGUCHI,M.YOHDA,S.I.KIDOKORO,Y . 224 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 51.8 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 . 40 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 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 . 4 0 0 0 0 0 4 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 4 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 0 164 0, 0.0 54,-0.1 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 156.0 4.3 8.5 14.6 2 2 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.263 360.0-119.2 -60.0 145.8 7.6 8.9 16.4 3 3 A A G > S+ 0 0 80 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.813 109.8 66.0 -55.5 -35.2 9.0 12.5 16.5 4 4 A F G > S+ 0 0 11 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.762 84.8 74.7 -62.0 -22.8 12.2 11.6 14.6 5 5 A a G < S+ 0 0 0 -3,-1.8 20,-0.6 1,-0.3 -1,-0.3 0.612 89.3 59.9 -64.7 -12.7 9.9 10.9 11.6 6 6 A L G < S+ 0 0 120 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.437 80.5 112.5 -92.2 -4.0 9.6 14.7 11.2 7 7 A E < - 0 0 45 -3,-2.0 18,-0.1 -4,-0.2 16,-0.1 -0.461 68.4-126.5 -68.7 141.4 13.3 15.2 10.7 8 8 A P - 0 0 97 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.441 48.3 -77.6 -73.9 163.2 14.5 16.4 7.3 9 9 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.316 41.4-148.2 -66.0 147.6 17.3 14.2 5.9 10 10 A Y - 0 0 89 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.922 16.1-178.1-121.7 103.2 20.8 14.6 7.2 11 11 A A - 0 0 50 -2,-0.5 25,-2.8 24,-0.2 27,-0.4 0.863 32.9-155.5 -64.3 -36.6 23.6 13.9 4.8 12 12 A G - 0 0 23 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.134 33.7 -68.7 77.8 176.9 26.2 14.6 7.4 13 13 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.522 93.9 112.9 -83.2 -7.5 29.9 15.7 6.9 14 14 A G - 0 0 24 24,-0.4 23,-0.2 -3,-0.3 22,-0.1 -0.154 62.5-140.6 -68.5 160.5 31.1 12.4 5.2 15 15 A K + 0 0 176 21,-0.2 22,-0.1 2,-0.0 -1,-0.1 0.418 63.7 113.3-104.1 0.3 32.1 12.1 1.6 16 16 A A - 0 0 45 20,-2.0 2,-0.3 1,-0.1 22,-0.1 -0.221 61.7-138.7 -64.2 161.8 30.6 8.7 0.9 17 17 A R + 0 0 224 19,-0.1 2,-0.5 20,-0.1 19,-0.2 -0.666 38.7 156.6-127.8 76.4 27.7 8.5 -1.6 18 18 A I E -A 35 0A 50 17,-2.3 17,-3.4 -2,-0.3 2,-0.4 -0.892 39.1-131.8-108.7 122.0 25.2 6.1 -0.1 19 19 A I E +A 34 0A 94 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.598 37.3 166.1 -72.3 125.2 21.5 6.2 -1.0 20 20 A R E -A 33 0A 68 13,-3.0 13,-2.6 -2,-0.4 2,-0.4 -0.805 27.5-122.4-128.1 174.3 19.4 6.1 2.1 21 21 A Y E -AB 32 45A 39 24,-2.5 24,-2.7 -2,-0.3 2,-0.3 -0.951 18.4-172.9-123.6 141.1 15.7 6.8 2.8 22 22 A F E -A 31 0A 21 9,-2.3 9,-2.9 -2,-0.4 2,-0.6 -0.933 30.9-112.7-122.5 154.3 13.9 9.2 5.1 23 23 A Y E -A 30 0A 11 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.791 21.9-157.7 -86.2 123.1 10.3 9.5 5.9 24 24 A N E >> -A 29 0A 38 5,-3.4 5,-2.1 -2,-0.6 4,-1.5 -0.874 8.3-173.9 -98.8 98.5 8.7 12.7 4.5 25 25 A A T 45S+ 0 0 31 -2,-0.8 -1,-0.2 -20,-0.6 -19,-0.1 0.795 80.4 59.9 -68.6 -28.7 5.6 13.1 6.7 26 26 A A T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -20,-0.0 0.875 117.9 30.8 -64.3 -39.2 4.4 16.0 4.7 27 27 A A T 45S- 0 0 62 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.584 104.0-128.6 -93.2 -14.4 4.2 13.9 1.6 28 28 A G T <5S+ 0 0 45 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.917 70.3 116.5 63.9 45.0 3.5 10.7 3.4 29 29 A A E S- 0 0 27 -26,-0.1 4,-1.8 1,-0.1 -26,-0.1 -0.959 73.7-113.5-147.5 159.9 15.3 1.1 2.3 48 48 A A H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.904 117.0 57.4 -60.8 -40.7 11.9 2.8 1.7 49 49 A A H > S+ 0 0 9 97,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.892 105.6 49.5 -58.4 -42.2 10.2 -0.2 3.2 50 50 A D H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 110.8 49.6 -64.1 -42.4 12.1 0.3 6.5 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.915 113.0 46.7 -62.5 -43.4 11.3 4.0 6.6 52 52 A L H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.901 109.6 54.0 -65.9 -40.6 7.6 3.3 6.0 53 53 A A H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.899 116.3 38.3 -59.4 -41.8 7.6 0.5 8.6 54 54 A A H < S+ 0 0 23 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.811 135.0 16.3 -77.7 -31.1 9.0 2.9 11.3 55 55 A a H < 0 0 2 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.578 360.0 360.0-125.0 -17.0 7.1 6.0 10.3 56 56 A A < 0 0 60 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.894 360.0 360.0 -60.7 360.0 4.0 5.4 8.1 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 C R 0 0 153 0, 0.0 54,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 154.3 12.2 -1.3 14.1 59 2 C P > - 0 0 7 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.216 360.0-120.7 -52.9 143.9 15.1 1.0 13.3 60 3 C A G > S+ 0 0 74 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.816 109.6 66.9 -60.3 -33.3 18.5 -0.5 13.7 61 4 C F G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.743 86.0 73.2 -61.2 -20.8 19.6 2.0 16.4 62 5 C b G < S+ 0 0 1 -3,-1.7 20,-0.6 1,-0.2 -1,-0.3 0.658 92.0 56.3 -63.8 -17.3 16.9 0.4 18.6 63 6 C L G < S+ 0 0 113 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.494 86.5 103.7 -93.4 -7.1 19.3 -2.6 19.0 64 7 C E S < S- 0 0 109 -3,-1.3 16,-0.1 -4,-0.3 18,-0.1 -0.513 76.1-112.4 -80.9 143.9 22.2 -0.6 20.3 65 8 C P - 0 0 93 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.334 47.1 -88.2 -65.2 155.1 23.3 -0.6 23.9 66 9 C P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.356 39.5-145.9 -66.4 148.8 22.8 2.7 25.7 67 10 C Y - 0 0 87 33,-0.3 31,-0.4 1,-0.1 26,-0.1 -0.913 20.6-179.9-126.2 103.1 25.7 5.1 25.5 68 11 C A - 0 0 48 -2,-0.5 25,-2.9 24,-0.1 27,-0.4 0.863 34.8-159.7 -66.1 -36.5 26.5 7.4 28.4 69 12 C G - 0 0 26 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.116 33.3 -68.0 76.0 179.4 29.5 8.9 26.5 70 13 C P S S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.445 89.3 118.4 -87.2 -2.7 32.4 10.8 28.0 71 14 C G - 0 0 22 24,-0.4 23,-0.2 -3,-0.3 24,-0.0 -0.134 65.1-130.3 -70.6 164.5 30.6 13.9 29.2 72 15 C K S S+ 0 0 152 21,-0.1 22,-0.2 22,-0.0 -1,-0.1 0.501 71.8 105.4 -92.0 -7.6 30.4 15.2 32.8 73 16 C A - 0 0 32 20,-2.4 22,-0.1 1,-0.1 21,-0.1 -0.190 59.9-146.9 -69.6 164.9 26.6 15.7 32.9 74 17 C R + 0 0 186 19,-0.1 2,-0.5 20,-0.1 19,-0.2 -0.503 34.2 161.6-130.4 66.1 24.2 13.4 34.7 75 18 C I E -C 92 0B 58 17,-2.6 17,-3.5 1,-0.0 2,-0.5 -0.736 37.5-130.1 -92.2 124.9 21.1 13.6 32.5 76 19 C I E +C 91 0B 109 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.629 39.5 164.4 -75.9 122.6 18.5 10.8 32.8 77 20 C R E -C 90 0B 69 13,-2.8 13,-2.5 -2,-0.5 2,-0.4 -0.808 28.5-124.2-129.5 172.1 17.6 9.5 29.4 78 21 C Y E -CD 89 102B 70 24,-2.5 24,-2.3 -2,-0.3 2,-0.3 -0.933 17.1-168.9-123.2 143.5 15.8 6.4 28.2 79 22 C F E -C 88 0B 26 9,-2.7 9,-2.5 -2,-0.4 2,-0.6 -0.918 28.0-114.2-123.7 155.2 16.9 3.6 25.8 80 23 C Y E -C 87 0B 13 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.818 20.4-153.1 -87.8 121.9 14.9 0.9 24.1 81 24 C N E >>> -C 86 0B 43 5,-3.4 4,-1.7 -2,-0.6 5,-1.6 -0.855 9.7-169.5 -93.8 99.2 15.9 -2.6 25.3 82 25 C A T 345S+ 0 0 32 -2,-0.9 -1,-0.2 -20,-0.6 -19,-0.1 0.820 81.4 60.0 -66.5 -32.0 15.0 -4.7 22.3 83 26 C A T 345S+ 0 0 106 1,-0.2 -1,-0.2 -3,-0.1 -20,-0.0 0.878 118.7 31.3 -60.6 -37.0 15.5 -8.0 24.1 84 27 C A T <45S- 0 0 65 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.625 100.8-131.2 -93.0 -16.7 12.9 -6.9 26.6 85 28 C G T <5S+ 0 0 40 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.884 72.6 107.9 61.9 38.7 10.7 -4.8 24.3 86 29 C A E S- 0 0 38 -26,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.968 74.5-113.2-148.2 158.9 11.2 9.8 28.1 105 48 C A H > S+ 0 0 35 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.901 118.0 54.5 -58.4 -42.8 10.3 6.1 28.2 106 49 C A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 106.1 52.2 -61.5 -39.0 7.3 6.8 26.0 107 50 C D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 110.4 47.5 -62.2 -43.9 9.5 8.4 23.4 108 51 C A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.909 112.5 49.5 -64.8 -41.6 11.8 5.4 23.3 109 52 C L H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.0 47.6 -64.5 -41.4 8.9 3.0 23.0 110 53 C A H >< S+ 0 0 47 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.915 111.6 50.0 -66.2 -42.5 7.3 5.0 20.1 111 54 C A H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.818 120.2 35.9 -65.2 -30.7 10.6 5.2 18.2 112 55 C b T 3< 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.086 360.0 360.0-116.2 22.1 11.2 1.5 18.5 113 56 C A < 0 0 95 -3,-1.0 -3,-0.1 -59,-0.1 -4,-0.0 -0.201 360.0 360.0 -60.7 360.0 7.7 0.1 18.2 114 !* 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 E R 0 0 128 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.3 -3.8 3.8 -10.2 116 2 E P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.349 360.0-121.2 -58.6 141.9 -5.5 1.3 -7.9 117 3 E A G > S+ 0 0 74 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.797 108.3 67.4 -57.0 -33.2 -5.6 2.5 -4.3 118 4 E F G > S+ 0 0 46 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.763 86.2 71.3 -61.3 -23.3 -3.7 -0.5 -2.9 119 5 E c G < S+ 0 0 0 -3,-1.8 20,-0.6 1,-0.3 -1,-0.3 0.619 92.7 57.7 -66.9 -14.6 -0.7 0.9 -4.8 120 6 E L G < S+ 0 0 116 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.500 85.9 105.2 -89.8 -9.0 -0.5 3.7 -2.2 121 7 E E S < S- 0 0 113 -3,-1.6 18,-0.1 -4,-0.3 16,-0.1 -0.453 74.9-115.0 -78.8 146.1 -0.2 1.3 0.7 122 8 E P - 0 0 49 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.391 44.3 -90.7 -70.1 157.1 3.1 0.7 2.6 123 9 E P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.408 37.0-143.0 -70.4 146.7 4.5 -2.8 2.3 124 10 E Y - 0 0 84 33,-0.3 31,-0.3 1,-0.2 26,-0.1 -0.918 19.4-178.0-118.7 104.6 3.4 -5.2 5.0 125 11 E A - 0 0 43 -2,-0.6 25,-2.6 24,-0.1 27,-0.4 0.869 33.6-161.6 -63.9 -38.0 6.1 -7.7 6.3 126 12 E G - 0 0 24 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.074 35.4 -65.8 74.8 178.5 3.5 -9.3 8.6 127 13 E P S S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.512 90.9 118.3 -83.1 -6.7 4.1 -11.5 11.7 128 14 E G - 0 0 13 24,-0.4 23,-0.2 -3,-0.3 22,-0.0 -0.149 62.0-137.4 -64.7 157.9 5.7 -14.5 9.8 129 15 E K + 0 0 140 21,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.420 68.3 107.3 -96.7 -1.1 9.2 -15.7 10.4 130 16 E A - 0 0 40 20,-2.2 22,-0.1 1,-0.1 21,-0.1 -0.236 63.1-141.9 -70.1 165.8 10.2 -16.3 6.8 131 17 E R + 0 0 96 19,-0.1 2,-0.4 20,-0.1 19,-0.2 -0.485 35.5 165.4-126.6 62.2 12.5 -14.0 4.9 132 18 E I E -E 149 0C 59 17,-2.5 17,-3.4 1,-0.1 2,-0.5 -0.649 35.8-129.0 -86.3 127.6 10.9 -13.9 1.5 133 19 E I E +E 148 0C 50 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.648 40.7 162.7 -76.2 121.8 12.0 -11.2 -1.0 134 20 E R E -E 147 0C 67 13,-2.8 13,-2.7 -2,-0.5 2,-0.4 -0.828 27.7-128.8-131.7 173.2 8.9 -9.3 -2.3 135 21 E Y E -EF 146 159C 43 24,-2.3 24,-2.6 -2,-0.3 2,-0.3 -0.941 15.1-169.6-127.9 145.1 8.3 -6.0 -4.1 136 22 E F E -E 145 0C 2 9,-2.7 9,-2.7 -2,-0.4 2,-0.6 -0.941 29.5-112.4-127.9 153.8 6.0 -3.1 -3.5 137 23 E Y E -E 144 0C 30 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.803 21.4-156.8 -84.9 119.0 5.1 -0.1 -5.6 138 24 E N E >> -E 143 0C 9 5,-3.1 4,-1.9 -2,-0.6 5,-1.6 -0.857 9.4-169.6 -93.5 95.9 6.4 3.0 -4.0 139 25 E A T 45S+ 0 0 30 -2,-1.0 -1,-0.2 -20,-0.6 -19,-0.1 0.835 80.9 57.0 -63.3 -34.5 4.0 5.5 -5.6 140 26 E A T 45S+ 0 0 65 1,-0.2 -1,-0.2 -112,-0.1 -111,-0.1 0.880 117.0 35.5 -62.7 -39.0 5.8 8.6 -4.5 141 27 E A T 45S- 0 0 58 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.684 101.5-132.8 -83.3 -22.6 9.0 7.3 -6.2 142 28 E G T <5 + 0 0 41 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.779 70.0 115.6 68.6 29.8 7.2 5.7 -9.1 143 29 E A E < -E 138 0C 31 -5,-1.6 -5,-3.1 -7,-0.0 2,-0.5 -0.946 69.5-125.9-134.0 147.0 9.4 2.7 -8.5 144 30 E A E -E 137 0C 20 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.836 39.0-176.4 -90.8 126.7 9.0 -0.9 -7.5 145 31 E Q E -E 136 0C 32 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.2 -0.858 22.0-104.1-130.6 157.4 11.2 -1.6 -4.5 146 32 E A E +E 135 0C 10 -2,-0.3 -97,-0.4 -11,-0.2 2,-0.3 -0.472 34.3 167.4 -86.2 149.8 12.2 -4.7 -2.4 147 33 E F E -E 134 0C 9 -13,-2.7 -13,-2.8 -2,-0.2 2,-0.6 -0.962 37.3-106.6-148.7 165.3 11.1 -5.7 1.1 148 34 E V E -E 133 0C 14 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.867 31.8-159.9 -99.5 121.3 11.2 -8.7 3.3 149 35 E Y E -E 132 0C 15 -17,-3.4 -17,-2.5 -2,-0.6 -24,-0.1 -0.827 14.3-144.8-103.8 135.6 7.9 -10.6 3.7 150 36 E G - 0 0 3 -25,-2.6 -20,-2.2 -2,-0.4 -21,-0.1 0.501 43.5-109.5 -81.6 -5.4 7.4 -13.0 6.6 151 37 E G S S+ 0 0 33 -26,-0.2 2,-0.3 -23,-0.2 3,-0.1 0.313 85.3 80.2 99.4 -9.6 5.2 -15.5 4.7 152 38 E V S S+ 0 0 71 -27,-0.4 -24,-0.4 1,-0.1 -2,-0.2 -0.976 84.9 12.4-133.0 149.6 1.8 -14.8 6.3 153 39 E R S S- 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 -27,-0.1 0.830 74.1-165.1 64.9 39.8 -1.1 -12.4 6.0 154 40 E A - 0 0 56 -3,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.188 5.7-147.3 -53.9 141.0 0.1 -10.7 2.8 155 41 E K - 0 0 123 -31,-0.3 -31,-0.1 2,-0.1 -1,-0.1 -0.563 32.4 -94.1-101.1 175.0 -1.5 -7.4 1.8 156 42 E R S S+ 0 0 188 1,-0.2 2,-2.2 -2,-0.2 -37,-0.1 0.825 111.6 70.2 -65.5 -37.9 -2.1 -6.3 -1.8 157 43 E N S S+ 0 0 5 -35,-0.2 -33,-0.3 -39,-0.2 2,-0.3 -0.488 77.7 105.5 -82.5 73.0 1.1 -4.3 -2.4 158 44 E N + 0 0 20 -2,-2.2 2,-0.3 -35,-0.1 -22,-0.2 -0.854 45.5 175.7-160.6 106.3 3.2 -7.4 -2.4 159 45 E F B -F 135 0C 34 -24,-2.6 -24,-2.3 -2,-0.3 3,-0.0 -0.875 39.0-129.6-128.6 151.7 4.6 -8.9 -5.6 160 46 E A S S+ 0 0 73 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.737 95.1 13.6 -68.5 -24.9 7.0 -11.7 -6.6 161 47 E S S > S- 0 0 39 -26,-0.1 4,-1.8 1,-0.1 -26,-0.2 -0.971 74.6-114.4-147.7 158.3 9.0 -9.3 -8.8 162 48 E A H > S+ 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 117.8 57.1 -59.4 -39.8 9.5 -5.6 -9.4 163 49 E A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 104.7 50.9 -60.0 -41.3 8.1 -6.1 -12.9 164 50 E D H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 109.6 50.5 -62.2 -42.8 4.9 -7.6 -11.4 165 51 E A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.907 111.4 47.6 -61.3 -43.5 4.5 -4.6 -9.1 166 52 E L H < S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 109.5 52.8 -66.5 -40.5 5.0 -2.1 -12.0 167 53 E A H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.5 43.6 -59.0 -40.1 2.5 -4.0 -14.2 168 54 E A H < 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.819 360.0 360.0 -72.3 -32.9 -0.1 -3.8 -11.3 169 55 E c < 0 0 26 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.607 360.0 360.0-127.4 360.0 0.6 -0.1 -10.4 170 !* 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 0.0 171 1 G R 0 0 141 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 153.7 35.3 -8.6 -13.5 172 2 G P > - 0 0 57 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.237 360.0-120.5 -52.3 144.3 36.8 -9.2 -10.0 173 3 G A G > S+ 0 0 85 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.805 110.1 67.8 -59.6 -30.7 36.8 -12.9 -9.0 174 4 G F G > S+ 0 0 51 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.744 82.5 75.7 -64.6 -19.4 34.6 -12.1 -6.0 175 5 G d G < S+ 0 0 0 -3,-1.7 20,-0.5 1,-0.3 -1,-0.3 0.589 87.9 61.5 -65.9 -11.5 31.8 -11.3 -8.4 176 6 G L G < S+ 0 0 124 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.469 79.9 111.4 -91.6 -6.2 31.5 -15.1 -8.9 177 7 G E < - 0 0 38 -3,-1.9 18,-0.1 -4,-0.2 16,-0.1 -0.421 69.7-124.2 -66.8 142.9 30.6 -15.7 -5.2 178 8 G P - 0 0 99 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.425 47.1 -80.6 -72.7 163.1 27.1 -16.9 -4.4 179 9 G P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.374 41.4-148.2 -66.5 146.3 25.3 -14.6 -1.8 180 10 G Y - 0 0 87 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.931 15.2-175.6-120.9 105.6 26.2 -15.2 1.8 181 11 G A - 0 0 46 -2,-0.6 25,-2.8 24,-0.1 27,-0.4 0.850 33.1-154.5 -65.3 -34.8 23.4 -14.5 4.3 182 12 G G - 0 0 22 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.089 33.6 -64.5 77.9 175.7 25.7 -15.2 7.3 183 13 G P S S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.495 95.6 110.6 -77.9 -7.0 24.9 -16.3 10.8 184 14 G G - 0 0 22 24,-0.4 23,-0.2 -3,-0.3 22,-0.1 -0.183 63.4-140.8 -74.1 163.4 22.8 -13.2 11.8 185 15 G K + 0 0 85 21,-0.2 22,-0.1 2,-0.0 -1,-0.1 0.453 62.7 115.7-101.6 -5.1 19.1 -12.9 12.3 186 16 G A - 0 0 39 20,-1.8 2,-0.4 1,-0.1 22,-0.1 -0.194 61.3-138.2 -65.6 158.6 18.5 -9.5 10.7 187 17 G R + 0 0 83 19,-0.1 2,-0.5 20,-0.1 -39,-0.2 -0.648 40.5 157.7-118.9 70.4 16.4 -9.2 7.5 188 18 G I E -G 205 0D 47 17,-2.3 17,-3.6 -2,-0.4 2,-0.5 -0.858 38.3-133.1-105.0 125.3 18.4 -6.8 5.4 189 19 G I E +G 204 0D 30 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.644 36.9 163.5 -73.6 122.3 18.0 -6.6 1.6 190 20 G R E -G 203 0D 71 13,-2.8 13,-2.6 -2,-0.5 2,-0.4 -0.788 28.4-124.1-128.3 176.5 21.4 -6.6 -0.1 191 21 G Y E -GH 202 215D 49 24,-2.4 24,-2.5 -2,-0.3 2,-0.3 -0.956 18.6-173.5-127.5 141.9 22.5 -7.2 -3.7 192 22 G F E -G 201 0D 22 9,-2.5 9,-3.0 -2,-0.4 2,-0.6 -0.933 30.8-112.3-125.0 155.9 24.9 -9.6 -5.3 193 23 G Y E -G 200 0D 12 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.813 22.7-158.1 -87.4 120.4 26.1 -9.9 -8.8 194 24 G N E >> -G 199 0D 39 5,-3.0 5,-2.0 -2,-0.6 4,-1.3 -0.858 8.6-174.6 -96.9 98.2 24.9 -13.0 -10.4 195 25 G A T 45S+ 0 0 31 -2,-0.9 -1,-0.2 -20,-0.5 -19,-0.1 0.816 81.2 57.0 -67.7 -30.4 27.3 -13.5 -13.3 196 26 G A T 45S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.864 117.4 34.8 -67.2 -36.1 25.5 -16.5 -14.7 197 27 G A T 45S- 0 0 58 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.601 103.7-131.3 -89.5 -13.8 22.3 -14.4 -15.0 198 28 G G T <5S+ 0 0 47 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.905 70.0 112.8 60.3 44.1 24.3 -11.2 -15.9 199 29 G A E S- 0 0 34 -26,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.955 73.1-114.8-146.3 159.1 22.2 -1.4 -4.1 218 48 G A H > S+ 0 0 36 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.916 118.2 56.7 -59.8 -42.7 21.8 -3.0 -7.5 219 49 G A H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 105.4 50.0 -56.3 -43.9 23.7 -0.1 -8.9 220 50 G D H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.3 50.0 -63.0 -41.7 26.7 -0.8 -6.6 221 51 G A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.904 113.4 46.1 -63.3 -41.1 26.8 -4.5 -7.6 222 52 G L H X S+ 0 0 74 -4,-2.5 4,-2.5 2,-0.2 5,-0.5 0.898 109.9 53.3 -69.5 -40.6 26.7 -3.5 -11.3 223 53 G A H < S+ 0 0 88 -4,-2.7 4,-0.2 -5,-0.2 -2,-0.2 0.904 117.4 38.8 -59.9 -39.8 29.4 -0.8 -10.9 224 54 G A H < S+ 0 0 37 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 135.1 13.5 -77.2 -34.7 31.7 -3.4 -9.2 225 55 G d H < S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.543 94.9 88.7-127.1 -14.3 30.9 -6.5 -11.3 226 56 G A < 0 0 44 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.1 0.888 360.0 360.0 -65.0 -39.8 29.0 -5.8 -14.6 227 57 G A 0 0 107 -5,-0.5 -4,-0.0 -4,-0.2 0, 0.0 -0.403 360.0 360.0 -67.1 360.0 32.0 -5.2 -16.8