==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEASE INHIBITOR 05-JUN-98 1BHC . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.HAMIAUX,T.PRANGE . 560 10 30 30 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 49.8 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 . 100 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 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 . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 10 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 . 10 0 0 0 0 0 10 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 10 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 0 150 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 145.7 34.6 35.0 -1.4 2 2 A P > - 0 0 22 0, 0.0 3,-0.9 0, 0.0 4,-0.0 -0.107 360.0-118.4 -51.0 153.2 31.3 34.9 0.6 3 3 A D G > S+ 0 0 131 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.834 108.2 68.2 -68.4 -30.4 31.7 33.9 4.3 4 4 A F G > S+ 0 0 17 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.787 83.3 76.6 -61.0 -20.9 29.6 30.8 4.0 5 5 A a G < S+ 0 0 0 -3,-0.9 20,-0.4 1,-0.3 -1,-0.3 0.508 89.9 57.3 -65.3 -7.1 32.3 29.3 1.8 6 6 A L G < S+ 0 0 85 -3,-2.1 -1,-0.3 18,-0.1 -2,-0.2 0.532 83.2 103.6 -97.9 -13.0 34.2 28.8 5.1 7 7 A E S < S- 0 0 68 -3,-2.0 18,-0.2 -4,-0.3 16,-0.1 -0.343 76.4-117.4 -67.9 147.2 31.5 26.7 6.7 8 8 A P - 0 0 104 0, 0.0 35,-0.2 0, 0.0 2,-0.1 -0.500 45.9 -80.7 -81.4 162.1 32.2 23.0 6.8 9 9 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.365 39.7-150.5 -64.3 143.2 29.7 20.8 4.9 10 10 A Y - 0 0 85 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.948 13.8-173.5-122.2 112.2 26.4 19.9 6.5 11 11 A T - 0 0 54 -2,-0.5 25,-2.6 24,-0.2 27,-0.5 0.861 35.2-151.6 -70.8 -36.6 24.7 16.6 5.6 12 12 A G - 0 0 19 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.074 30.0 -69.2 85.2 168.2 21.5 17.4 7.5 13 13 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.618 95.2 104.8 -71.4 -20.6 19.0 15.1 9.3 14 14 A b - 0 0 30 24,-0.4 23,-0.1 -3,-0.2 24,-0.1 -0.194 67.1-133.0 -67.3 164.7 17.5 13.6 6.1 15 15 A K + 0 0 89 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.389 66.2 105.3 -98.0 -3.9 18.2 10.1 4.8 16 16 A A - 0 0 5 20,-2.3 2,-0.2 1,-0.1 22,-0.1 -0.294 61.2-140.8 -71.4 167.4 18.9 10.4 1.1 17 17 A R + 0 0 147 228,-0.3 2,-0.3 20,-0.1 57,-0.3 -0.616 36.2 159.4-132.0 75.1 22.5 10.1 0.0 18 18 A I E -A 35 0A 42 17,-2.5 17,-4.0 -2,-0.2 2,-0.3 -0.775 38.7-121.7-101.2 141.4 23.1 12.7 -2.7 19 19 A I E +A 34 0A 27 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.655 38.2 165.3 -84.2 135.9 26.4 14.1 -3.8 20 20 A R E -A 33 0A 8 13,-2.3 13,-1.8 -2,-0.3 2,-0.3 -0.878 30.7-116.0-140.7 166.8 26.9 17.8 -3.5 21 21 A Y E -AB 32 45A 13 24,-2.6 24,-2.7 -2,-0.3 2,-0.3 -0.790 25.7-179.0-109.5 153.2 29.9 20.1 -3.6 22 22 A F E -A 31 0A 10 9,-1.9 9,-2.7 -2,-0.3 2,-0.6 -0.973 33.7-108.1-146.6 150.4 31.2 22.4 -0.9 23 23 A Y E -A 30 0A 20 -2,-0.3 2,-0.9 7,-0.2 7,-0.3 -0.748 24.9-154.8 -86.5 122.4 34.2 24.7 -0.9 24 24 A N E >>> -A 29 0A 40 5,-3.0 4,-2.7 -2,-0.6 5,-1.4 -0.844 6.6-168.9 -97.2 96.5 37.0 23.4 1.2 25 25 A A T 345S+ 0 0 45 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.876 83.6 56.4 -53.1 -43.0 38.9 26.5 2.3 26 26 A K T 345S+ 0 0 204 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.846 118.9 32.2 -59.9 -37.4 41.9 24.5 3.6 27 27 A A T <45S- 0 0 59 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.682 101.5-135.5 -92.2 -19.2 42.4 22.8 0.2 28 28 A G T <5S+ 0 0 35 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.900 71.6 99.5 64.0 45.9 41.1 25.9 -1.7 29 29 A L E S- 0 0 13 1,-0.1 4,-1.8 342,-0.1 3,-0.4 -0.929 71.0-148.9-115.7 128.9 26.8 22.0 -9.5 48 48 A A H > S+ 0 0 7 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.865 100.2 60.0 -60.6 -35.3 30.6 22.0 -9.2 49 49 A E H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 104.9 46.8 -58.1 -47.3 30.8 24.9 -11.6 50 50 A D H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.860 109.1 57.9 -62.8 -37.5 28.7 27.1 -9.3 51 51 A c H X>S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.6 0.980 109.5 40.3 -58.9 -57.8 30.8 26.1 -6.4 52 52 A M H X5S+ 0 0 12 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.785 117.1 50.7 -65.9 -24.6 34.1 27.2 -7.8 53 53 A R H <5S+ 0 0 31 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.907 117.3 37.5 -78.5 -43.6 32.5 30.4 -9.2 54 54 A T H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.900 137.6 16.6 -72.5 -43.3 30.8 31.5 -6.0 55 55 A a H <5 0 0 0 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.570 360.0 360.0-106.5 -19.2 33.6 30.4 -3.6 56 56 A G << 0 0 32 -4,-1.0 258,-0.1 -5,-0.6 -27,-0.1 -0.278 360.0 360.0 -74.7 360.0 36.7 29.9 -5.7 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 0 149 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 141.7 49.9 9.6 -18.6 59 2 B P > - 0 0 21 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.131 360.0-116.8 -51.1 153.8 49.8 11.3 -15.2 60 3 B D G > S+ 0 0 138 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.856 108.8 67.0 -64.3 -36.7 51.0 9.2 -12.3 61 4 B F G > S+ 0 0 17 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.728 83.0 76.9 -59.4 -20.1 47.7 9.1 -10.5 62 5 B d G < S+ 0 0 0 -3,-1.2 20,-0.4 1,-0.3 -1,-0.3 0.576 89.4 58.4 -65.6 -11.2 46.3 7.0 -13.3 63 6 B L G < S+ 0 0 92 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.563 82.9 103.5 -92.6 -13.1 48.2 4.1 -11.8 64 7 B E S < S- 0 0 66 -3,-1.6 18,-0.2 -4,-0.3 16,-0.1 -0.370 76.1-117.4 -69.2 150.2 46.5 4.3 -8.4 65 8 B P - 0 0 104 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.512 45.8 -80.9 -83.3 157.3 43.8 1.8 -7.7 66 9 B P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.293 39.6-151.1 -60.7 146.5 40.2 3.1 -7.2 67 10 B Y - 0 0 87 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.966 14.4-174.4-126.2 112.9 39.3 4.4 -3.8 68 11 B T - 0 0 50 -2,-0.5 25,-2.9 24,-0.2 27,-0.4 0.840 35.4-151.8 -71.9 -37.5 35.7 4.2 -2.6 69 12 B G - 0 0 19 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.045 29.2 -68.7 86.0 169.4 36.4 6.2 0.5 70 13 B P S S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.593 95.2 103.7 -72.1 -18.3 34.6 6.2 3.9 71 14 B e - 0 0 30 24,-0.4 23,-0.1 -3,-0.2 24,-0.1 -0.255 68.2-131.6 -71.7 165.4 31.4 7.7 2.9 72 15 B K + 0 0 87 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.324 66.4 104.7 -97.2 -0.1 28.1 5.8 2.4 73 16 B A - 0 0 4 20,-2.5 2,-0.4 1,-0.0 22,-0.1 -0.424 60.3-141.4 -77.2 165.1 26.7 6.8 -1.0 74 17 B R + 0 0 145 -57,-0.3 2,-0.4 -2,-0.1 57,-0.3 -0.711 36.5 156.1-130.2 81.5 27.0 4.4 -3.9 75 18 B I E -C 92 0B 43 17,-2.3 17,-3.6 -2,-0.4 2,-0.3 -0.859 40.2-119.7-109.7 144.1 27.8 6.4 -7.0 76 19 B I E +C 91 0B 26 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.601 37.4 165.8 -85.6 139.1 29.5 5.1 -10.1 77 20 B R E -C 90 0B 7 13,-2.1 13,-1.6 -2,-0.3 2,-0.3 -0.884 30.2-115.7-141.1 168.1 32.7 6.7 -11.2 78 21 B Y E -CD 89 102B 11 24,-2.5 24,-2.7 -2,-0.3 2,-0.3 -0.804 25.7-178.8-112.1 150.8 35.5 5.8 -13.6 79 22 B F E -C 88 0B 8 9,-2.0 9,-2.5 -2,-0.3 2,-0.5 -0.967 33.7-107.3-142.8 152.8 39.1 5.0 -12.9 80 23 B Y E -C 87 0B 17 -2,-0.3 2,-0.9 7,-0.2 7,-0.3 -0.768 24.7-154.9 -87.1 126.7 41.9 4.1 -15.2 81 24 B N E >> -C 86 0B 36 5,-3.3 4,-1.9 -2,-0.5 5,-1.5 -0.881 6.6-169.2-100.6 96.1 42.8 0.5 -15.0 82 25 B A T 45S+ 0 0 48 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.889 83.4 56.0 -52.3 -46.1 46.4 0.4 -16.1 83 26 B K T 45S+ 0 0 205 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.854 118.5 32.4 -56.0 -42.1 46.5 -3.4 -16.3 84 27 B A T 45S- 0 0 55 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.621 102.4-134.0 -90.6 -14.1 43.6 -3.5 -18.7 85 28 B G T <5S+ 0 0 38 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.857 72.5 98.2 61.0 45.1 44.6 -0.2 -20.3 86 29 B L E S- 0 0 13 1,-0.1 4,-1.8 228,-0.1 3,-0.3 -0.941 70.6-148.0-116.1 132.9 32.9 11.3 -16.9 105 48 B A H > S+ 0 0 7 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.887 101.0 59.1 -62.9 -37.2 34.3 8.4 -18.8 106 49 B E H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 105.8 47.0 -57.7 -45.9 35.4 10.8 -21.6 107 50 B D H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.862 109.9 56.2 -64.2 -38.2 37.5 12.7 -19.1 108 51 B f H X>S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.7 0.977 109.9 41.8 -58.2 -56.8 39.0 9.4 -17.8 109 52 B M H X5S+ 0 0 12 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.820 116.9 49.4 -63.6 -27.2 40.2 8.2 -21.2 110 53 B R H <5S+ 0 0 35 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.897 117.1 39.0 -79.2 -39.7 41.5 11.6 -22.2 111 54 B T H <5S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.899 136.7 16.3 -74.7 -43.3 43.4 12.2 -19.0 112 55 B d H <5 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.644 360.0 360.0-106.6 -22.0 44.7 8.7 -18.5 113 56 B G << 0 0 36 -4,-1.0 429,-0.1 -5,-0.7 -27,-0.1 -0.214 360.0 360.0 -72.1 360.0 44.3 6.9 -21.8 114 !* 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 0 143 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 147.4 25.4 -9.0 -33.7 116 2 C P > - 0 0 19 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.185 360.0-118.5 -53.8 152.1 28.6 -9.4 -31.5 117 3 C D G > S+ 0 0 140 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.836 108.3 68.5 -67.1 -28.4 28.7 -12.6 -29.6 118 4 C F G > S+ 0 0 18 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.750 82.6 75.8 -63.7 -19.0 28.7 -10.9 -26.2 119 5 C g G < S+ 0 0 0 -3,-1.3 20,-0.4 1,-0.3 -1,-0.3 0.521 89.6 59.0 -66.5 -9.0 25.2 -9.9 -26.9 120 6 C L G < S+ 0 0 94 -3,-2.3 -1,-0.3 18,-0.1 -2,-0.2 0.570 82.5 103.4 -94.2 -14.8 24.3 -13.4 -26.1 121 7 C E S < S- 0 0 64 -3,-1.7 18,-0.1 -4,-0.3 16,-0.1 -0.340 76.5-116.9 -66.7 146.1 25.7 -13.3 -22.5 122 8 C P - 0 0 103 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.511 46.1 -80.6 -81.6 159.7 23.2 -13.0 -19.7 123 9 C P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.262 40.1-151.2 -61.4 139.0 23.4 -9.9 -17.6 124 10 C Y - 0 0 90 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.947 14.1-173.9-118.8 113.2 26.0 -9.7 -14.9 125 11 C T - 0 0 52 -2,-0.5 25,-2.7 24,-0.2 27,-0.5 0.858 35.3-152.1 -70.9 -34.8 25.3 -7.6 -11.8 126 12 C G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.135 29.8 -68.2 84.3 171.8 28.8 -8.1 -10.4 127 13 C P S S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.678 95.3 103.7 -71.7 -25.2 30.1 -8.1 -6.8 128 14 C h - 0 0 29 24,-0.4 23,-0.1 -3,-0.2 24,-0.1 -0.108 68.1-130.7 -64.5 165.3 29.6 -4.4 -6.0 129 15 C K + 0 0 82 22,-0.1 22,-0.2 2,-0.0 -1,-0.1 0.379 66.2 105.0 -98.8 -4.0 26.8 -2.9 -3.9 130 16 C A - 0 0 4 20,-2.3 2,-0.3 1,-0.1 22,-0.1 -0.352 60.7-140.2 -73.1 165.6 25.4 -0.1 -5.9 131 17 C R + 0 0 146 -57,-0.3 2,-0.3 19,-0.1 57,-0.3 -0.624 36.6 158.9-129.7 75.0 22.0 -0.5 -7.6 132 18 C I E -E 149 0C 41 17,-2.5 17,-3.9 -2,-0.3 2,-0.3 -0.773 38.6-123.1-100.9 140.1 22.3 1.1 -11.0 133 19 C I E +E 148 0C 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.623 37.4 166.2 -81.4 138.4 20.0 0.4 -14.0 134 20 C R E -E 147 0C 9 13,-2.3 13,-1.9 -2,-0.3 2,-0.3 -0.865 30.5-117.3-141.1 171.5 21.7 -0.7 -17.2 135 21 C Y E -EF 146 159C 11 24,-2.3 24,-2.9 -2,-0.3 2,-0.3 -0.883 25.9-179.0-115.4 146.3 20.5 -2.3 -20.4 136 22 C F E -E 145 0C 9 9,-2.3 9,-2.7 -2,-0.3 2,-0.6 -0.960 34.2-105.6-139.5 154.3 21.5 -5.7 -21.7 137 23 C Y E -E 144 0C 20 -2,-0.3 2,-1.0 7,-0.2 7,-0.3 -0.742 25.1-154.7 -85.3 121.3 20.4 -7.5 -24.9 138 24 C N E >>> -E 143 0C 38 5,-3.4 4,-2.3 -2,-0.6 5,-1.4 -0.810 6.9-169.4 -95.1 94.3 18.0 -10.3 -24.3 139 25 C A T 345S+ 0 0 49 -2,-1.0 -1,-0.2 -20,-0.4 -19,-0.1 0.898 84.2 54.7 -49.5 -46.7 18.5 -12.6 -27.2 140 26 C K T 345S+ 0 0 204 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.847 119.2 32.9 -57.6 -40.0 15.4 -14.7 -26.4 141 27 C A T <45S- 0 0 56 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.630 101.3-136.0 -91.4 -14.4 13.2 -11.6 -26.4 142 28 C G T <5S+ 0 0 35 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.885 71.4 100.5 58.6 45.4 15.3 -9.9 -29.1 143 29 C L E S- 0 0 14 1,-0.1 4,-1.6 399,-0.1 3,-0.2 -0.892 71.2-148.2-108.6 133.0 22.5 3.9 -22.9 162 48 C A H > S+ 0 0 7 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 0.900 100.9 58.1 -63.2 -39.6 19.4 2.0 -24.3 163 49 C E H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 105.2 47.9 -55.8 -47.9 20.2 3.4 -27.7 164 50 C D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.841 109.7 56.0 -63.4 -34.7 23.7 2.0 -27.8 165 51 C i H X>S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.7 0.983 110.1 42.0 -61.6 -55.8 22.3 -1.4 -26.7 166 52 C M H X5S+ 0 0 9 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.804 117.5 48.1 -63.9 -29.6 19.9 -1.7 -29.5 167 53 C R H <5S+ 0 0 34 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.852 117.4 39.0 -80.7 -36.5 22.4 -0.4 -32.1 168 54 C T H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.890 137.0 16.5 -76.5 -44.5 25.3 -2.7 -31.0 169 55 C g H <5 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.609 360.0 360.0-103.5 -23.1 23.2 -5.8 -30.3 170 56 C G << 0 0 33 -4,-0.9 315,-0.1 -5,-0.7 -27,-0.1 -0.249 360.0 360.0 -72.4 360.0 19.8 -5.2 -32.1 171 !* 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 0 144 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 145.5 -5.0 4.4 -26.0 173 2 D P > - 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