==== 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/HYDROLASE INHIBITOR 31-JAN-03 1NU7 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.FRIEDRICH,W.BODE,P.FUENTES-PRIOR,P.PANIZZI,P.E.BOCK . 1137 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 54 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 2 0 2 4 0 0 1 1 0 0 0 2 0 2 0 0 0 0 3 1 0 2 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 2 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 9 1 7 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 2 0 2 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 1DA G > 0 0 46 0, 0.0 3,-0.6 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 76.9 -1.8 74.6 61.4 2 1CA E T 3 + 0 0 154 1,-0.2 3,-0.2 2,-0.2 147,-0.1 0.418 360.0 81.7 -78.8 0.7 1.5 76.1 60.3 3 1BA A T 3 S+ 0 0 85 1,-0.2 -1,-0.2 145,-0.0 145,-0.0 0.937 105.2 31.2 -69.5 -43.1 1.3 79.0 62.8 4 1AA D S X S+ 0 0 69 -3,-0.6 3,-1.3 143,-0.0 -1,-0.2 0.262 96.0 142.3 -95.3 10.9 2.8 76.6 65.5 5 1 A a T 3 + 0 0 10 1,-0.2 142,-0.2 -3,-0.2 143,-0.1 -0.115 60.6 17.7 -56.7 147.3 4.8 74.6 62.9 6 2 A G T 3 S+ 0 0 0 140,-2.9 242,-1.0 241,-0.2 2,-0.7 0.409 90.4 113.9 76.3 -1.8 8.3 73.4 63.7 7 3 A L < - 0 0 28 -3,-1.3 -1,-0.2 139,-0.3 240,-0.1 -0.900 61.9-140.0-105.4 108.1 7.9 73.6 67.5 8 4 A R > > - 0 0 0 -2,-0.7 5,-2.0 1,-0.1 3,-1.7 -0.529 3.5-143.8 -75.6 123.5 8.0 70.2 69.1 9 5 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.835 101.9 43.1 -49.6 -40.3 5.6 69.6 72.0 10 6 A L T 3 5S+ 0 0 23 132,-0.5 30,-0.1 29,-0.4 -2,-0.1 0.485 129.8 19.0 -89.5 -3.9 8.1 67.3 73.7 11 7 A F T X >S+ 0 0 14 -3,-1.7 3,-2.9 28,-0.1 5,-2.1 0.411 126.7 28.1-125.5 -92.6 11.2 69.5 73.1 12 8 A E G > 5S+ 0 0 21 1,-0.3 3,-1.8 3,-0.2 -5,-0.1 0.867 121.7 53.0 -42.2 -49.1 11.0 73.2 72.2 13 9 A K G 3 > - 0 0 7 -2,-0.3 3,-0.6 22,-0.1 4,-0.5 -0.602 33.8 -97.3 -95.9 163.9 17.5 66.6 72.1 19 14AA K T 34 S+ 0 0 178 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.610 116.3 22.5 -53.7 -21.5 20.7 64.7 72.2 20 14BA T T >> S+ 0 0 42 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.434 87.7 103.1-128.5 -2.5 22.3 65.9 68.9 21 14CA E H X> S+ 0 0 3 -3,-0.6 4,-1.7 1,-0.3 3,-0.6 0.842 79.9 59.9 -47.0 -40.3 20.5 69.2 68.3 22 14DA R H 3X S+ 0 0 143 -4,-0.5 4,-2.5 1,-0.2 -1,-0.3 0.854 94.3 63.0 -61.6 -37.6 23.6 71.0 69.5 23 14EA E H <> S+ 0 0 55 -3,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.877 104.5 48.2 -55.2 -39.9 25.7 69.4 66.7 24 14FA L H XX S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.6 4,-0.8 0.964 109.2 51.1 -66.2 -52.5 23.5 71.2 64.1 25 14GA L H >< S+ 0 0 51 -4,-1.7 3,-1.3 1,-0.3 -2,-0.2 0.907 108.5 52.7 -51.6 -45.6 23.7 74.6 65.9 26 14HA E H 3< S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 96.9 67.4 -65.1 -20.9 27.5 74.4 66.0 27 14IA S H << 0 0 26 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.770 360.0 360.0 -71.3 -24.2 27.7 73.7 62.3 28 14JA Y << 0 0 82 -3,-1.3 130,-0.0 -4,-0.8 134,-0.0 -0.303 360.0 360.0 -72.6 360.0 26.5 77.2 61.6 29 !* 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 30 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.4 19.2 55.4 57.7 31 17 B V B -A 228 0A 8 197,-3.0 197,-1.4 1,-0.2 143,-0.1 -0.851 360.0 -2.6-103.2 133.3 22.9 54.4 57.8 32 18 B E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.824 101.9 118.0 62.0 33.7 25.1 55.1 60.8 33 19 B G - 0 0 27 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.228 54.7-123.0-109.3-157.4 22.4 57.0 62.7 34 20 B S E -B 191 0B 67 157,-2.4 157,-2.3 -2,-0.1 2,-0.1 -0.947 33.7 -68.4-147.5 170.1 20.9 56.2 66.0 35 21 B D E -B 190 0B 71 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.355 54.1-122.1 -59.0 133.7 17.5 55.6 67.7 36 22 B A - 0 0 7 153,-2.7 2,-0.3 59,-0.1 -1,-0.1 -0.393 20.9-114.5 -75.8 153.1 15.4 58.6 67.8 37 23 B E > - 0 0 42 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.647 51.5 -82.0 -83.7 149.2 14.1 60.0 71.1 38 24 B I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.279 114.1 3.9 -54.1 125.5 10.4 59.8 71.5 39 25 B G T 3 S+ 0 0 13 55,-0.1 -29,-0.4 2,-0.1 -1,-0.3 0.638 88.2 128.9 73.0 14.7 8.6 62.7 69.7 40 26 B M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 -32,-0.1 0.633 83.5 28.0 -73.6 -15.5 11.9 64.0 68.3 41 27 B S S > S+ 0 0 9 -4,-0.2 3,-2.5 102,-0.1 -1,-0.3 -0.464 71.0 166.8-145.5 64.7 10.4 64.1 64.8 42 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.598 75.7 60.7 -59.4 -14.0 6.6 64.6 65.4 43 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.442 76.8 125.5 -92.0 -0.8 6.1 65.4 61.7 44 30 B Q E < -J 60 0C 3 -3,-2.5 49,-0.9 16,-0.2 2,-0.4 -0.303 41.1-168.8 -60.7 132.5 7.4 62.0 60.7 45 31 B V E -JK 59 92C 0 14,-2.3 14,-1.1 47,-0.2 2,-0.5 -0.965 15.4-146.0-128.7 146.6 5.1 60.1 58.4 46 32 B M E -JK 58 91C 0 45,-2.2 45,-2.1 -2,-0.4 2,-0.7 -0.937 8.6-150.7-108.1 122.3 5.0 56.5 57.2 47 33 B L E -JK 57 90C 0 10,-2.7 9,-2.2 -2,-0.5 10,-1.3 -0.861 25.2-168.1 -93.1 123.0 3.7 55.8 53.7 48 34 B F E -JK 55 89C 15 41,-3.0 41,-1.9 -2,-0.7 2,-0.5 -0.944 22.7-140.6-121.9 126.8 2.3 52.3 53.9 49 35 B R E > -JK 54 88C 77 5,-2.9 5,-1.6 -2,-0.5 39,-0.2 -0.697 16.4-150.7 -80.0 127.1 1.1 49.9 51.2 50 36 B K T > 5S+ 0 0 78 37,-2.4 3,-0.5 -2,-0.5 -1,-0.2 0.883 70.9 54.9 -68.6 -37.8 -2.0 48.2 52.5 51 36AB S T 3 5S+ 0 0 84 1,-0.5 -1,-0.2 36,-0.5 2,-0.1 -0.885 117.1 16.9-159.9 120.1 -1.6 44.9 50.6 52 37 B P T 3 5S- 0 0 59 0, 0.0 -1,-0.5 0, 0.0 -3,-0.1 0.434 111.3-116.3 -68.7 134.6 0.7 43.1 50.7 53 38 B Q T < 5 + 0 0 40 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.2 -0.057 51.5 154.7 -42.4 132.6 1.6 45.1 53.8 54 39 B E E < -J 49 0C 66 -5,-1.6 -5,-2.9 -3,-0.0 2,-0.8 -0.893 49.3-124.8-167.6 133.1 4.8 47.0 53.4 55 40 B L E +J 48 0C 21 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.714 37.6 178.8 -75.9 112.7 6.5 50.1 54.8 56 41 B L E - 0 0 18 -9,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.940 46.0 -36.3 -86.0 -47.6 7.1 51.9 51.5 57 42 B b E -J 47 0C 9 -10,-1.3 -10,-2.7 176,-0.1 -1,-0.3 -0.936 57.4 -93.4-162.7 177.7 8.7 55.3 52.3 58 43 B G E +J 46 0C 5 176,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.413 37.6 173.3 -96.7 178.9 8.9 58.2 54.6 59 44 B A E -J 45 0C 0 -14,-1.1 -14,-2.3 -2,-0.1 2,-0.3 -0.934 22.1-119.9-170.2 176.3 6.9 61.4 54.3 60 45 B S E -JL 44 68C 0 8,-2.7 8,-2.6 -2,-0.3 2,-0.6 -0.989 13.8-124.8-138.9 147.9 6.3 64.5 56.4 61 46 B L E + L 0 67C 0 -18,-2.2 86,-2.2 -2,-0.3 6,-0.2 -0.790 29.7 168.4 -89.9 122.3 3.3 66.3 58.0 62 47 B I - 0 0 12 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.411 68.4 -11.2-113.7 -2.1 3.1 69.9 56.8 63 48 B S S S- 0 0 21 3,-1.0 -1,-0.3 -62,-0.1 3,-0.1 -0.945 86.2 -78.8-175.7 178.4 -0.4 70.7 58.1 64 49 B D S S+ 0 0 61 -2,-0.3 74,-2.9 1,-0.2 72,-0.1 0.584 129.4 27.8 -70.4 -6.6 -3.4 68.9 59.5 65 50 B R S S+ 0 0 72 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.479 109.0 73.1-129.4 -12.7 -4.4 67.8 56.0 66 51 B W E - M 0 133C 7 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.0 -0.922 47.3-172.6-121.1 143.6 -1.3 67.6 53.9 67 52 B V E -LM 61 132C 0 65,-2.3 65,-2.3 -2,-0.4 2,-0.4 -0.988 12.8-149.6-130.6 134.6 1.6 65.2 53.7 68 53 B L E +LM 60 131C 0 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.2 -0.804 28.6 147.1-104.2 140.9 4.7 65.7 51.6 69 54 B T E - M 0 130C 0 61,-2.2 61,-2.1 -2,-0.4 2,-0.3 -0.846 49.5 -72.1-155.0-174.9 6.7 62.9 50.2 70 55 B A > - 0 0 0 -12,-0.4 3,-1.1 59,-0.3 4,-0.4 -0.725 32.7-135.1 -90.7 146.0 8.9 61.9 47.2 71 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-2.4 0.919 101.6 62.4 -64.1 -43.2 7.2 61.4 43.8 72 57 B H G 34 S+ 0 0 6 1,-0.3 -1,-0.2 2,-0.2 56,-0.0 0.623 92.1 65.6 -62.2 -11.6 9.1 58.2 43.0 73 58 B b G <4 S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.688 115.6 29.4 -80.2 -19.6 7.6 56.5 46.1 74 59 B L T <4 S+ 0 0 2 -3,-2.4 9,-2.5 -4,-0.4 2,-0.4 0.734 131.9 26.8-107.3 -34.1 4.2 56.7 44.3 75 60 B L E < +P 82 0D 40 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.952 57.8 138.2-140.0 116.9 5.2 56.6 40.7 76 60AB Y E > > -P 81 0D 17 5,-2.6 3,-2.6 -2,-0.4 5,-1.3 -0.528 25.0-168.2-157.3 82.3 8.3 55.1 39.1 77 60BB P G > 5S+ 0 0 53 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.808 82.0 68.1 -41.4 -43.4 7.6 53.2 35.8 78 60CB P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.692 110.2 36.7 -58.4 -13.4 11.0 51.5 35.7 79 60DB W G < 5S- 0 0 124 -3,-2.6 3,-0.1 2,-0.1 -3,-0.0 0.026 118.1-109.2-121.1 21.7 10.0 49.4 38.7 80 60EB D T < 5 + 0 0 154 -3,-2.9 2,-0.5 1,-0.2 -5,-0.0 0.873 68.1 152.6 52.3 42.8 6.4 49.0 37.8 81 60FB K E < +P 76 0D 49 -5,-1.3 -5,-2.6 2,-0.0 -1,-0.2 -0.910 8.4 137.9-110.0 126.2 5.3 51.4 40.5 82 60GB N E -P 75 0D 113 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.479 27.0-173.1-163.8 80.2 2.2 53.5 40.3 83 60HB F - 0 0 23 -9,-2.5 2,-0.2 -10,-0.1 -2,-0.0 -0.583 5.8-158.0 -84.4 140.6 0.2 53.6 43.5 84 60IB T >> - 0 0 62 -2,-0.3 3,-1.6 1,-0.0 4,-0.5 -0.621 38.5 -90.0-107.7 174.1 -3.2 55.2 43.7 85 61 B E G >4 S+ 0 0 46 1,-0.3 3,-1.5 -2,-0.2 25,-0.4 0.883 122.5 53.8 -50.2 -47.9 -5.0 56.5 46.8 86 62 B N G 34 S+ 0 0 117 1,-0.3 -1,-0.3 23,-0.1 -36,-0.1 0.638 99.0 63.3 -66.1 -15.5 -6.8 53.3 47.7 87 63 B D G <4 S+ 0 0 63 -3,-1.6 -37,-2.4 -37,-0.1 -36,-0.5 0.653 105.2 51.1 -81.8 -13.1 -3.5 51.2 47.7 88 64 B L E << -K 49 0C 2 -3,-1.5 22,-0.5 -4,-0.5 2,-0.3 -0.694 51.5-171.3-127.4 169.8 -2.1 53.2 50.6 89 65 B L E -KN 48 109C 4 -41,-1.9 -41,-3.0 -2,-0.2 2,-0.4 -0.963 22.0-127.3-149.0 167.5 -2.4 54.7 54.0 90 66 B V E -KN 47 108C 0 18,-2.0 18,-2.7 -2,-0.3 2,-0.5 -0.946 12.1-159.4-120.3 137.4 -0.4 57.0 56.1 91 67 B R E -KN 46 107C 11 -45,-2.1 -45,-2.2 -2,-0.4 2,-0.3 -0.975 17.5-174.4-120.5 117.6 0.8 56.3 59.7 92 68 B I E +KN 45 106C 0 14,-3.5 14,-2.6 -2,-0.5 -47,-0.2 -0.829 56.2 27.8-115.3 151.5 1.6 59.3 61.8 93 69 B G S S+ 0 0 7 -49,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.611 81.0 154.7 80.3 16.7 3.0 59.8 65.2 94 70 B K + 0 0 13 -50,-0.3 -1,-0.2 -3,-0.3 -55,-0.1 -0.384 27.7 166.8 -85.3 154.6 5.0 56.6 65.2 95 71 B H S S+ 0 0 36 1,-0.4 94,-1.8 -2,-0.1 2,-0.4 0.602 73.7 41.5-121.7 -61.4 8.2 55.6 67.1 96 72 B S B -Q 188 0E 22 92,-0.2 3,-0.4 1,-0.1 -1,-0.4 -0.785 61.4-159.9 -95.8 134.6 8.5 51.8 66.7 97 73 B R S S+ 0 0 37 90,-4.0 -1,-0.1 -2,-0.4 91,-0.1 0.812 81.0 70.3 -77.0 -31.7 7.7 50.3 63.3 98 74 B T S S+ 0 0 28 89,-0.3 2,-0.3 241,-0.1 -1,-0.2 0.508 101.2 32.6 -70.6 -9.9 7.1 46.7 64.6 99 75 B R S S- 0 0 36 -3,-0.4 2,-0.4 88,-0.2 -3,-0.1 -0.976 83.6-102.9-145.4 159.1 3.8 47.3 66.4 100 76 B Y - 0 0 21 -2,-0.3 2,-0.8 384,-0.1 -3,-0.1 -0.698 33.6-152.0 -76.2 129.8 0.7 49.4 66.2 101 77 B E >> - 0 0 35 -2,-0.4 4,-3.0 1,-0.1 3,-1.0 -0.788 13.3-174.0-109.2 88.6 1.1 52.1 68.9 102 77AB R T 34 S+ 0 0 36 -2,-0.8 -1,-0.1 1,-0.2 465,-0.0 0.687 74.0 52.4 -59.8 -25.3 -2.5 52.9 69.9 103 78 B N T 34 S+ 0 0 121 1,-0.1 -1,-0.2 464,-0.1 465,-0.1 0.757 127.2 17.4 -85.3 -20.4 -2.0 55.8 72.2 104 79 B I T <4 S+ 0 0 33 -3,-1.0 -2,-0.2 39,-0.1 39,-0.1 0.667 101.0 95.4-119.1 -29.7 0.1 57.9 69.9 105 80 B E < - 0 0 3 -4,-3.0 2,-0.4 -14,-0.0 -12,-0.2 -0.348 47.6-166.6 -71.3 144.0 -0.3 56.6 66.3 106 81 B K E -N 92 0C 44 -14,-2.6 -14,-3.5 -2,-0.1 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106.8 54.4 -64.5 -32.2 40.6 46.9 25.9 382 93 D E H 3< S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.773 113.9 42.3 -71.8 -24.0 44.2 47.8 25.2 383 94 D E H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.666 125.0 34.0 -94.6 -19.9 44.7 44.3 23.9 384 95 D N >< + 0 0 55 -4,-1.7 3,-2.3 -5,-0.1 -1,-0.2 -0.510 67.9 164.6-133.2 64.7 41.4 44.0 22.0 385 96 D P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 75.0 57.8 -52.4 -34.2 40.8 47.5 20.6 386 97 D T T 3 S+ 0 0 112 -3,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.553 83.5 115.2 -76.6 -4.3 38.1 46.4 18.1 387 98 D S < - 0 0 19 -3,-2.3 -3,-0.1 -6,-0.2 0, 0.0 -0.420 47.8-169.1 -68.6 138.5 36.2 45.0 21.0 388 99 D K + 0 0 172 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.169 41.4 131.5-110.0 13.1 32.8 46.6 21.7 389 100 D V - 0 0 66 1,-0.1 2,-0.3 -8,-0.0 -2,-0.0 -0.491 51.7-135.0 -69.4 133.0 32.2 44.8 25.1 390 101 D K - 0 0 185 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.668 16.4-109.2 -94.3 147.8 31.2 47.3 27.8 391 102 D M - 0 0 65 -2,-0.3 -1,-0.1 1,-0.1 -17,-0.0 -0.543 37.9-117.5 -72.6 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118.0 43.4 -86.2 -10.3 12.0 35.8 82.3 432 143 D H >X - 0 0 53 -4,-0.6 3,-2.5 -5,-0.2 4,-0.6 -0.751 64.2-170.8-140.2 89.7 8.7 37.0 80.8 433 144 D H G >4 S+ 0 0 142 -2,-0.3 3,-0.9 1,-0.3 64,-0.3 0.784 84.5 62.6 -52.5 -32.6 5.9 34.4 80.8 434 145 D D G 34 S+ 0 0 38 1,-0.2 64,-2.6 63,-0.1 65,-0.4 0.561 102.3 52.5 -73.2 -5.1 3.6 36.4 78.6 435 146 D L G <4 S+ 0 0 0 -3,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 0.574 81.9 111.9-100.6 -15.0 6.2 36.2 75.8 436 147 D K S << S- 0 0 123 -3,-0.9 61,-0.5 -4,-0.6 62,-0.1 -0.361 80.8-100.7 -61.3 131.7 6.5 32.3 76.0 437 148 D P - 0 0 77 0, 0.0 59,-0.2 0, 0.0 -1,-0.1 -0.261 35.3-120.3 -58.9 135.8 5.1 30.7 72.8 438 149 D F - 0 0 32 57,-3.4 2,-0.1 -3,-0.1 58,-0.0 -0.300 27.2-108.7 -67.4 159.4 1.5 29.2 73.2 439 150 D T > - 0 0 88 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.501 42.6 -99.0 -77.9 163.9 1.0 25.5 72.5 440 151 D D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 126.4 50.2 -53.8 -41.1 -0.8 25.0 69.2 441 152 D E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 111.1 47.7 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