==== 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 28-JAN-08 2ZGX . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BAUM,A.HEINE,G.KLEBE . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 4 0 4 3 1 1 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 . 1 0 0 0 0 1 0 1 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 1BL A 0 0 127 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.6 13.4 20.7 20.1 2 1AL D > + 0 0 85 144,-0.1 3,-1.3 3,-0.0 145,-0.1 0.101 360.0 142.7-105.3 14.5 10.0 19.5 18.9 3 1 L a T 3 + 0 0 31 1,-0.2 143,-0.3 143,-0.1 144,-0.1 -0.198 60.6 17.3 -58.9 152.1 10.9 16.0 19.7 4 2 L G T 3 S+ 0 0 0 141,-3.1 235,-1.9 1,-0.2 2,-0.6 0.493 91.6 113.8 75.8 2.5 8.3 13.6 21.0 5 3 L L < - 0 0 30 -3,-1.3 -1,-0.2 140,-0.3 233,-0.1 -0.953 60.6-143.0-109.0 110.5 5.3 15.7 20.0 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.8 1,-0.1 3,-1.3 -0.557 6.9-138.5 -82.1 134.4 3.3 13.9 17.3 7 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.866 103.5 43.0 -52.6 -40.9 1.8 15.8 14.5 8 6 L L T 3 5S+ 0 0 29 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.486 130.3 18.7 -93.2 4.7 -1.4 13.9 14.5 9 7 L F T X>>S+ 0 0 15 -3,-1.3 5,-2.7 29,-0.1 3,-1.5 0.398 128.6 24.6-132.7 -88.8 -1.8 13.8 18.3 10 8 L E G >45S+ 0 0 32 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.835 120.5 56.3 -54.0 -38.0 -0.0 16.2 20.7 11 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.5 1,-0.1 4,-0.4 -0.359 36.7 -98.4 -80.6 167.6 -4.5 8.2 21.0 17 14AL K T 3 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.662 112.7 25.8 -69.8 -10.5 -6.8 5.4 22.3 18 14BL T T >> S+ 0 0 51 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.482 84.3 99.3-132.4 5.4 -4.5 4.0 25.0 19 14CL E H <> S+ 0 0 12 -3,-0.5 4,-2.0 1,-0.3 3,-0.4 0.820 78.1 67.2 -63.8 -24.2 -2.1 6.7 26.2 20 14DL R H 3> S+ 0 0 141 -4,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.882 90.9 62.5 -62.0 -32.8 -4.3 7.2 29.2 21 14EL E H <> S+ 0 0 47 -3,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.909 105.8 46.4 -54.0 -41.1 -3.4 3.7 30.4 22 14FL L H >X S+ 0 0 1 -4,-0.8 3,-0.7 -3,-0.4 4,-0.5 0.952 111.4 50.2 -66.3 -47.7 0.2 5.0 30.6 23 14GL L H >< S+ 0 0 90 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.911 107.8 54.3 -54.5 -46.4 -0.8 8.2 32.4 24 14HL E H 3< S+ 0 0 141 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.2 55.2 -65.8 -21.5 -2.8 6.3 34.9 25 14IL S H << S+ 0 0 17 -4,-1.1 2,-1.6 -3,-0.7 -1,-0.3 0.580 80.6 91.5 -83.1 -10.2 0.2 4.1 35.8 26 14JL Y << 0 0 30 -3,-1.6 -1,-0.2 -4,-0.5 136,-0.1 -0.600 360.0 360.0 -90.3 77.9 2.3 7.1 36.6 27 14KL I 0 0 172 -2,-1.6 -2,-0.1 0, 0.0 -3,-0.1 -0.107 360.0 360.0 -79.2 360.0 1.2 6.8 40.2 28 !* 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 29 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.4 4.4 -8.0 19.1 30 17 H V B -A 219 0A 8 189,-2.6 189,-1.5 1,-0.2 143,-0.1 -0.844 360.0 -0.7-100.9 130.1 2.3 -10.7 20.8 31 18 H E S S+ 0 0 122 -2,-0.5 -1,-0.2 141,-0.4 186,-0.2 0.830 101.6 124.3 64.9 35.5 -1.1 -9.7 22.2 32 19 H G - 0 0 21 -3,-0.4 2,-0.3 151,-0.1 151,-0.2 -0.273 55.1-115.6-104.8-166.1 -0.8 -6.1 21.0 33 20 H S E -B 182 0B 82 149,-2.9 149,-2.5 -2,-0.1 2,-0.1 -0.867 33.2 -82.4-129.9 166.2 -3.1 -4.1 18.8 34 21 H D E -B 181 0B 108 -2,-0.3 147,-0.3 147,-0.2 146,-0.1 -0.525 53.4-116.9 -63.2 136.7 -3.0 -2.4 15.4 35 22 H A - 0 0 6 145,-3.4 2,-0.2 -2,-0.1 -1,-0.1 -0.368 24.3-115.4 -66.9 152.2 -1.4 1.0 15.7 36 23 H E > - 0 0 50 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.563 47.0 -82.5 -76.0 154.5 -3.4 4.2 14.9 37 24 H I T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.361 116.3 5.1 -56.8 128.1 -2.2 6.2 12.0 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.617 91.3 126.3 75.4 6.3 0.7 8.5 13.1 39 26 H M S < S+ 0 0 8 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.814 83.5 21.8 -70.4 -27.8 0.8 7.0 16.6 40 27 H S > + 0 0 11 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.572 68.9 164.6-138.1 69.2 4.5 6.2 16.5 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.0 0, 0.0 51,-0.1 0.550 74.0 62.9 -78.3 -0.7 6.0 8.5 13.9 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.412 76.6 121.3 -89.2 -5.0 9.5 7.8 15.1 43 30 H Q E < -J 59 0C 2 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.374 44.3-168.9 -65.9 130.9 9.1 4.1 14.2 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.2 47,-0.2 2,-0.6 -0.957 15.4-146.4-123.6 142.0 11.8 3.0 11.7 45 32 H M E -JK 57 90C 0 45,-2.9 45,-2.7 -2,-0.4 2,-0.6 -0.960 11.3-146.2-105.4 119.8 11.9 -0.2 9.8 46 33 H L E -JK 56 89C 0 10,-2.5 9,-2.7 -2,-0.6 10,-1.4 -0.800 27.0-161.7 -79.1 121.1 15.5 -1.6 9.1 47 34 H F E -JK 54 88C 0 41,-3.4 41,-2.1 -2,-0.6 2,-0.4 -0.903 15.9-137.7-119.8 127.8 15.1 -3.2 5.7 48 35 H R E > -JK 53 87C 81 5,-3.0 5,-1.4 -2,-0.4 39,-0.2 -0.706 9.6-152.2 -85.3 133.5 17.3 -5.8 4.0 49 36 H K E 5S+J 52 0C 39 37,-1.7 3,-0.4 -2,-0.4 -1,-0.1 0.856 75.2 53.2 -72.1 -38.0 17.9 -5.0 0.4 50 36AH S T 5S+ 0 0 96 1,-0.5 -1,-0.3 36,-0.3 2,-0.1 -0.862 120.6 17.7-153.7 112.2 18.5 -8.6 -0.8 51 37 H P T 5S- 0 0 87 0, 0.0 -1,-0.5 0, 0.0 2,-0.5 0.599 105.4-123.1 -76.9 154.8 16.6 -10.6 -0.2 52 38 H Q E 5 +J 49 0C 55 -3,-0.4 229,-0.4 -2,-0.1 2,-0.3 -0.443 59.5 122.7 -72.8 111.6 14.0 -7.9 0.5 53 39 H E E < -J 48 0C 68 -5,-1.4 -5,-3.0 -2,-0.5 2,-0.1 -0.997 65.7 -78.3-165.7 159.3 12.8 -8.4 4.0 54 40 H L E +J 47 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.405 36.9 175.6 -65.7 139.5 12.4 -7.0 7.5 55 41 H L E - 0 0 23 -9,-2.7 2,-0.3 1,-0.5 -8,-0.2 0.706 56.3 -49.0-107.3 -41.7 15.6 -6.9 9.5 56 42 H b E -J 46 0C 3 -10,-1.4 -10,-2.5 168,-0.1 -1,-0.5 -0.976 53.6 -88.8-175.9 172.4 14.6 -5.1 12.7 57 43 H G E +J 45 0C 2 168,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.431 41.4 165.7 -94.3 179.6 12.9 -2.1 14.2 58 44 H A E -J 44 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.4 -0.950 24.5-117.3-175.6 176.5 14.5 1.2 15.0 59 45 H S E -JL 43 67C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.993 14.4-123.8-142.7 148.5 13.7 4.8 15.9 60 46 H L E + L 0 66C 0 -18,-2.3 86,-2.2 -2,-0.4 6,-0.2 -0.742 29.4 167.6 -87.5 122.6 14.2 8.3 14.6 61 47 H I - 0 0 22 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.565 68.4 -6.3-115.4 -7.0 16.0 10.6 17.0 62 48 H S S S- 0 0 36 3,-1.0 3,-0.2 85,-0.1 -1,-0.2 -0.900 91.6 -76.3-164.1-172.9 16.8 13.5 14.7 63 49 H D S S+ 0 0 71 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.692 130.0 17.7 -77.5 -7.8 16.5 14.3 11.0 64 50 H R S S+ 0 0 62 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.385 106.5 83.2-140.0 21.3 19.5 12.1 10.3 65 51 H W E - M 0 132C 4 67,-0.2 -4,-2.4 -3,-0.2 -3,-1.0 -0.988 49.4-170.4-123.6 133.7 20.2 9.8 13.3 66 52 H V E -LM 60 131C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.964 10.3-148.6-123.3 135.6 18.4 6.4 13.8 67 53 H L E +LM 59 130C 0 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.824 28.5 146.6-105.6 141.2 18.7 4.3 17.0 68 54 H T E - M 0 129C 0 61,-2.6 61,-2.1 -2,-0.4 2,-0.4 -0.854 49.2 -74.2-152.6-172.8 18.6 0.5 17.1 69 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.5 -0.787 33.3-132.8 -91.9 140.9 19.9 -2.5 18.9 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-1.9 0.857 104.5 64.3 -58.1 -36.6 23.5 -3.6 18.2 71 57 H H G 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 175,-0.0 0.668 90.5 67.4 -67.1 -15.8 22.4 -7.3 17.7 72 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.780 117.4 23.3 -66.1 -27.2 20.3 -6.1 14.7 73 59 H L T <4 S+ 0 0 1 -3,-1.9 9,-2.5 -4,-0.5 2,-0.4 0.775 130.1 32.9-110.8 -33.3 23.6 -5.4 13.0 74 60 H L E < +P 81 0D 34 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.971 56.0 137.5-136.2 114.1 26.2 -7.5 14.7 75 60AH Y E > > -P 80 0D 49 5,-3.3 3,-2.7 -2,-0.4 5,-1.2 -0.429 22.2-174.4-159.2 78.7 25.7 -11.0 16.1 76 60BH P G > 5S+ 0 0 44 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.708 78.2 68.0 -50.6 -35.5 28.5 -13.4 15.3 77 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.841 112.4 35.0 -56.0 -27.7 26.9 -16.5 16.8 78 60DH W G < 5S- 0 0 184 -3,-2.7 3,-0.1 2,-0.1 0, 0.0 0.164 119.1-111.4-108.3 17.0 24.3 -16.3 14.1 79 60EH D T < 5 + 0 0 153 -3,-1.8 2,-0.6 1,-0.2 -5,-0.0 0.874 64.9 153.8 52.3 44.9 26.8 -15.1 11.5 80 60FH K E < +P 75 0D 42 -5,-1.2 -5,-3.3 2,-0.0 -1,-0.2 -0.904 4.2 142.9-105.1 120.0 25.2 -11.6 11.4 81 60GH N E -P 74 0D 125 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.525 26.6-168.4-154.5 81.2 27.4 -8.7 10.4 82 60HH F - 0 0 25 -9,-2.5 2,-0.2 -2,-0.1 -2,-0.0 -0.545 6.2-153.5 -85.7 139.9 25.7 -6.0 8.3 83 60IH T > - 0 0 63 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.662 35.2-101.2 -97.9 159.8 27.5 -3.3 6.5 84 61 H E G > S+ 0 0 33 1,-0.3 3,-1.9 -2,-0.2 25,-0.4 0.878 121.3 55.0 -43.8 -50.3 26.0 0.1 5.6 85 62 H N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 25,-0.1 -36,-0.1 0.623 96.4 67.7 -71.4 -6.9 25.4 -0.9 1.9 86 63 H D G < S+ 0 0 67 -3,-2.1 -37,-1.7 -37,-0.1 -36,-0.3 0.673 101.1 55.8 -78.5 -14.6 23.5 -4.0 3.0 87 64 H L E < -K 48 0C 1 -3,-1.9 22,-0.7 -4,-0.4 2,-0.3 -0.859 52.1-163.9-133.2 157.0 20.6 -1.9 4.4 88 65 H L E -KN 47 108C 1 -41,-2.1 -41,-3.4 -2,-0.3 2,-0.5 -0.918 20.2-136.0-125.9 152.3 17.9 0.7 4.0 89 66 H V E -KN 46 107C 0 18,-2.4 18,-3.2 -2,-0.3 2,-0.5 -0.968 14.4-162.3-109.5 121.1 15.9 2.7 6.6 90 67 H R E -KN 45 106C 0 -45,-2.7 -45,-2.9 -2,-0.5 2,-0.3 -0.950 13.2-175.3-110.2 119.2 12.1 3.0 6.0 91 68 H I E +KN 44 105C 0 14,-2.9 14,-2.5 -2,-0.5 -47,-0.2 -0.863 58.5 31.7-120.1 140.4 10.5 5.8 7.9 92 69 H G S S+ 0 0 7 -49,-0.9 -1,-0.2 -2,-0.3 -48,-0.1 0.581 82.4 153.7 91.9 13.8 6.8 6.8 8.2 93 70 H K + 0 0 14 -50,-0.4 -1,-0.2 -3,-0.3 -50,-0.1 -0.417 26.2 158.3 -87.0 159.3 5.5 3.3 7.8 94 71 H H + 0 0 51 1,-0.3 86,-1.7 4,-0.1 -1,-0.2 0.368 66.7 66.1-129.8 -61.9 2.3 1.6 8.9 95 72 H S B S-Q 179 0E 20 84,-0.2 -1,-0.3 1,-0.1 84,-0.2 -0.443 72.8-145.8 -64.4 139.1 1.8 -1.3 6.6 96 73 H R S S+ 0 0 21 82,-2.3 -1,-0.1 81,-0.1 83,-0.1 0.979 88.7 19.0 -69.3 -58.6 4.5 -4.0 7.1 97 74 H T S S+ 0 0 34 81,-0.3 185,-2.0 184,-0.1 -1,-0.1 0.705 102.7 93.0 -90.9 -23.9 4.9 -5.3 3.5 98 75 H R S S- 0 0 28 80,-0.3 2,-0.8 183,-0.2 -4,-0.1 -0.296 75.4-120.5 -80.2 154.4 3.5 -2.6 1.3 99 76 H Y - 0 0 37 184,-0.1 2,-1.8 1,-0.1 -1,-0.1 -0.785 29.1-144.9 -86.5 116.6 5.4 0.2 -0.3 100 77 H E >> - 0 0 30 -2,-0.8 4,-2.5 -5,-0.1 3,-2.2 -0.506 15.6-149.7 -97.4 81.1 3.6 3.2 1.1 101 77AH R T 34 S+ 0 0 185 -2,-1.8 4,-0.1 1,-0.3 -2,-0.0 -0.199 75.0 4.5 -49.4 123.9 3.6 5.7 -1.7 102 78 H N T 34 S+ 0 0 133 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.463 129.7 60.3 79.4 6.5 3.7 9.4 -0.8 103 79 H I T <4 S+ 0 0 58 -3,-2.2 -2,-0.2 1,-0.2 39,-0.1 0.656 87.7 59.5-129.7 -58.9 4.0 8.5 2.9 104 80 H E < - 0 0 0 -4,-2.5 2,-0.4 -14,-0.0 -2,-0.3 -0.368 64.2-149.8 -75.7 162.5 7.1 6.5 3.8 105 81 H K E -N 91 0C 63 -14,-2.5 -14,-2.9 -3,-0.1 2,-0.5 -0.993 4.7-151.5-129.6 134.2 10.6 7.7 3.1 106 82 H I E -N 90 0C 11 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.940 17.8-172.7-116.7 124.5 13.5 5.3 2.4 107 83 H S E -N 89 0C 16 -18,-3.2 -18,-2.4 -2,-0.5 2,-0.3 -0.874 17.9-128.6-122.1 150.2 17.0 6.4 3.3 108 84 H M E -N 88 0C 63 -2,-0.3 26,-2.7 -20,-0.2 2,-0.5 -0.662 28.2-112.1 -96.2 153.0 20.5 5.1 2.8 109 85 H L E -O 133 0C 3 -22,-0.7 24,-0.2 -25,-0.4 3,-0.1 -0.714 24.9-178.5 -87.6 128.8 23.0 4.5 5.5 110 86 H E E S- 0 0 90 22,-3.0 2,-0.3 -2,-0.5 23,-0.2 0.815 72.7 -13.0 -83.8 -44.7 26.1 6.7 5.7 111 87 H K E -O 132 0C 99 21,-1.6 21,-2.8 -27,-0.1 2,-0.3 -0.956 53.2-139.8-166.0 142.9 27.6 4.9 8.7 112 88 H I E -O 131 0C 19 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.830 14.8-167.5-100.7 140.6 26.9 2.5 11.5 113 89 H Y E -O 130 0C 32 17,-2.9 17,-2.7 -2,-0.3 2,-0.4 -0.967 5.8-170.6-127.2 115.2 28.2 3.0 15.1 114 90 H I E -O 129 0C 50 -2,-0.4 15,-0.2 15,-0.2 13,-0.1 -0.836 38.1 -94.9-104.2 146.2 28.0 0.1 17.5 115 91 H H > - 0 0 22 13,-2.1 3,-1.6 -2,-0.4 13,-0.1 -0.325 31.3-135.9 -54.7 130.6 28.8 0.4 21.2 116 92 H P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.757 103.3 42.7 -63.7 -22.5 32.4 -0.6 21.6 117 93 H R T 3 S+ 0 0 164 9,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.179 75.9 143.4-112.8 22.6 31.6 -2.7 24.7 118 94 H Y < - 0 0 15 -3,-1.6 2,-1.1 1,-0.1 8,-0.2 -0.438 46.7-140.9 -52.5 125.0 28.4 -4.3 23.4 119 95 H N B > +R 125 0F 39 6,-3.0 5,-2.6 1,-0.2 6,-0.7 -0.655 42.0 152.6-104.2 80.3 28.6 -7.8 24.9 120 96 H W T 5 + 0 0 61 -2,-1.1 -1,-0.2 4,-0.2 -2,-0.0 0.685 68.9 67.5 -75.1 -19.2 27.4 -10.2 22.2 121 97 H R T 5S+ 0 0 196 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.888 118.9 5.2 -72.7 -36.2 29.5 -12.9 23.7 122 97AH E T 5S- 0 0 102 -3,-0.1 -2,-0.1 3,-0.1 78,-0.0 0.788 132.5 -11.9-112.9 -76.6 27.5 -13.2 26.9 123 98 H N T 5S- 0 0 7 -4,-0.2 -3,-0.2 76,-0.1 79,-0.1 0.254 82.1-104.0-122.5 17.3 24.3 -11.4 27.7 124 99 H L > < + 0 0 23 -5,-2.6 3,-0.7 1,-0.2 -4,-0.2 0.751 55.4 177.9 65.6 22.7 23.8 -8.6 25.0 125 100 H D B 3 +R 119 0F 7 -6,-0.7 -6,-3.0 1,-0.2 -1,-0.2 -0.375 66.2 17.2 -54.6 142.6 24.9 -6.0 27.6 126 101 H R T 3 S- 0 0 41 -8,-0.2 2,-1.7 1,-0.2 -1,-0.2 0.917 80.5-178.3 54.6 50.7 25.0 -2.5 26.0 127 102 H D < + 0 0 1 -3,-0.7 2,-0.3 77,-0.2 -1,-0.2 -0.572 34.3 117.2 -81.0 81.6 22.8 -3.6 23.1 128 103 H I + 0 0 0 -2,-1.7 -13,-2.1 -59,-0.3 2,-0.3 -1.000 33.3 172.0-153.9 141.8 22.7 -0.3 21.2 129 104 H A E -MO 68 114C 0 -61,-2.1 -61,-2.6 -2,-0.3 2,-0.3 -0.981 18.2-142.6-148.6 149.8 23.9 1.1 17.9 130 105 H L E -MO 67 113C 0 -17,-2.7 -17,-2.9 -2,-0.3 2,-0.4 -0.865 7.9-157.9-111.0 151.0 23.4 4.4 16.0 131 106 H M E -MO 66 112C 0 -65,-2.5 -65,-2.5 -2,-0.3 2,-0.5 -0.998 6.3-151.5-127.7 126.5 23.0 4.8 12.2 132 107 H K E -MO 65 111C 9 -21,-2.8 -22,-3.0 -2,-0.4 -21,-1.6 -0.853 20.2-133.4 -96.4 129.3 23.8 8.1 10.4 133 108 H L E - O 0 109C 0 -69,-2.5 -24,-0.2 -2,-0.5 4,-0.0 -0.500 10.4-128.4 -82.0 150.3 21.7 8.7 7.3 134 109 H K S S+ 0 0 90 -26,-2.7 -1,-0.1 -2,-0.2 -25,-0.1 0.886 94.9 17.0 -61.6 -40.0 23.2 9.9 4.0 135 110 H K S S- 0 0 147 -27,-0.3 -1,-0.2 -72,-0.1 -27,-0.1 -0.976 92.5 -96.4-134.6 149.1 20.7 12.7 3.8 136 111 H P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -72,-0.2 -0.274 40.7-126.4 -61.9 146.3 18.4 14.4 6.3 137 112 H V - 0 0 13 -74,-2.8 2,-0.5 -75,-0.1 -30,-0.0 -0.724 18.8-118.5 -94.7 146.4 14.8 13.1 6.3 138 113 H A - 0 0 71 -2,-0.3 5,-0.0 6,-0.0 -1,-0.0 -0.719 27.0-129.4 -86.1 127.0 11.9 15.5 5.9 139 114 H F + 0 0 91 -2,-0.5 2,-0.3 3,-0.1 5,-0.2 -0.312 38.5 160.1 -68.5 157.6 9.5 15.4 8.9 140 115 H S - 0 0 45 3,-2.6 3,-0.4 -99,-0.1 -48,-0.0 -0.866 59.4 -71.7-157.1-168.3 5.8 15.0 8.1 141 116 H D S S+ 0 0 80 -2,-0.3 -133,-0.4 1,-0.2 3,-0.1 0.765 136.3 35.8 -66.5 -21.7 2.6 13.9 9.8 142 117 H Y S S+ 0 0 75 1,-0.2 2,-0.4 -39,-0.1 -50,-0.3 0.463 113.7 60.9-110.0 -4.4 4.0 10.4 9.8 143 118 H I + 0 0 1 -3,-0.4 -3,-2.6 -52,-0.1 -101,-0.2 -0.979 59.8 132.8-133.1 114.3 7.7 11.1 10.4 144 119 H H - 0 0 10 -103,-2.0 -84,-0.2 -2,-0.4 2,-0.1 -0.963 49.3-106.5-163.4 139.0 8.9 12.8 13.5 145 120 H P - 0 0 10 0, 0.0 -141,-3.1 0, 0.0 -140,-0.3 -0.412 23.7-135.9 -80.1 152.4 11.7 12.2 16.1 146 121 H V - 0 0 2 -86,-2.2 2,-0.2 -143,-0.3 94,-0.2 -0.592 28.2-108.5 -93.2 159.0 11.2 10.9 19.6 147 122 H a B -c 240 0B 4 92,-2.3 94,-2.8 -2,-0.2 -1,-0.1 -0.585 19.8-133.3 -86.8 156.1 13.0 12.5 22.5 148 123 H L - 0 0 31 -2,-0.2 94,-0.1 92,-0.2 -145,-0.0 -0.885 35.0-104.1-103.7 142.1 15.9 10.8 24.5 149 124 H P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.243 21.8-147.5 -68.0 148.9 15.6 11.0 28.3 150 125 H D > - 0 0 60 1,-0.0 4,-2.4 117,-0.0 5,-0.3 -0.630 42.4 -93.1 -96.0 167.5 17.6 13.3 30.5 151 126 H R H > S+ 0 0 153 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.844 123.4 50.7 -50.0 -40.3 18.5 12.0 34.0 152 127 H E H > S+ 0 0 131 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.948 110.3 46.3 -73.1 -44.7 15.4 13.5 35.7 153 128 H T H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.949 115.9 48.7 -60.7 -42.7 12.8 12.2 33.3 154 129 H A H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 112.3 47.0 -60.3 -44.3 14.6 8.8 33.5 155 129AH A H < S+ 0 0 72 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.952 116.5 45.1 -69.4 -36.0 14.6 8.9 37.3 156 129BH S H < S+ 0 0 33 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.888 122.6 32.8 -72.4 -32.8 11.0 9.9 37.4 157 129CH L H < S+ 0 0 0 -4,-2.7 2,-2.3 -5,-0.3 -3,-0.2 0.784 93.5 81.6-102.3 -26.0 9.7 7.5 34.9 158 130 H L < + 0 0 36 -4,-2.2 2,-0.4 -5,-0.3 -1,-0.2 -0.427 65.8 130.6 -79.9 75.3 11.7 4.3 35.1 159 131 H Q > - 0 0 81 -2,-2.3 3,-2.2 -3,-0.1 28,-0.4 -0.987 67.9 -94.0-127.8 139.7 9.8 2.9 38.1 160 132 H A T 3 S+ 0 0 43 -2,-0.4 28,-0.2 1,-0.2 3,-0.1 -0.207 112.9 23.8 -49.5 134.2 8.3 -0.6 38.6 161 133 H G T 3 S+ 0 0 38 26,-2.6 2,-0.3 1,-0.3 -1,-0.2 -0.015 90.3 120.1 95.2 -26.4 4.6 -0.5 37.6 162 134 H Y < - 0 0 20 -3,-2.2 25,-2.6 24,-0.1 -1,-0.3 -0.596 60.6-132.3 -71.5 132.0 4.9 2.5 35.3 163 135 H K E -D 186 0B 29 -141,-0.4 2,-0.2 -2,-0.3 -138,-0.1 -0.603 24.7-178.5 -93.5 146.2 3.9 1.5 31.8 164 136 H G E -D 185 0B 0 21,-2.7 21,-2.4 -2,-0.3 2,-0.4 -0.693 25.0-114.0-124.9-176.4 5.7 2.2 28.6 165 137 H R E -DE 184 230B 5 65,-2.3 65,-3.0 19,-0.2 2,-0.4 -0.987 19.7-165.5-130.4 130.7 4.8 1.4 25.0 166 138 H V E -DE 183 229B 0 17,-2.7 17,-2.0 -2,-0.4 2,-0.3 -0.948 9.9-175.9-118.8 139.5 6.5 -1.0 22.6 167 139 H T E +D 182 0B 2 61,-1.0 2,-0.3 -2,-0.4 15,-0.2 -0.950 15.7 128.3-132.8 149.9 5.8 -1.0 18.8 168 140 H G E -D 181 0B 1 13,-1.8 13,-1.9 -2,-0.3 56,-0.2 -0.960 56.6-113.7 175.6 169.5 7.0 -3.2 15.9 169 141 H W S S+ 0 0 4 54,-0.4 55,-0.1 -2,-0.3 3,-0.1 0.028 73.4 122.7-104.6 22.0 6.3 -5.4 12.9 170 142 H G - 0 0 2 1,-0.2 53,-0.2 51,-0.1 52,-0.1 -0.044 68.6 -44.9 -82.5-177.1 7.6 -8.6 14.5 171 143 H N - 0 0 33 51,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.044 35.4-145.9 -53.9 142.9 6.0 -11.9 15.1 172 144 H L S S+ 0 0 63 1,-0.2 -141,-0.4 -3,-0.1 2,-0.3 0.648 84.9 13.4 -79.8 -18.3 2.5 -12.1 16.5 173 145 H K 0 0 156 -143,-0.1 -1,-0.2 49,-0.1 79,-0.1 -0.982 360.0 360.0-155.4 165.1 3.4 -15.2 18.4 174 146 H E 0 0 127 77,-0.4 -2,-0.0 -2,-0.3 47,-0.0 -0.265 360.0 360.0 -63.6 360.0 6.4 -17.3 19.5 175 ! 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 0.0 176 151 H Q 0 0 133 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 133.2 3.4 -11.6 10.9 177 152 H P - 0 0 4 0, 0.0 -81,-0.1 0, 0.0 3,-0.1 -0.372 360.0-139.1 -80.5 156.0 1.1 -8.6 11.1 178 153 H S S S+ 0 0 93 1,-0.1 -82,-2.3 -82,-0.1 -81,-0.3 0.866 87.7 18.7 -77.7 -35.0 -0.4 -6.6 8.3 179 154 H V B S-Q 95 0E 18 -84,-0.2 -84,-0.2 -83,-0.1 -1,-0.1 -0.874 102.8 -62.8-131.9 170.6 0.3 -3.3 10.1 180 155 H L - 0 0 6 -86,-1.7 -145,-3.4 -2,-0.3 2,-0.3 -0.160 53.1-143.4 -47.9 132.4 2.3 -1.8 13.0 181 156 H Q E -BD 34 168B 13 -13,-1.9 -13,-1.8 -147,-0.3 2,-0.3 -0.786 13.4-163.4-105.4 148.6 1.5 -3.4 16.3 182 157 H V E +BD 33 167B 10 -149,-2.5 -149,-2.9 -2,-0.3 2,-0.3 -0.985 10.7 172.4-131.6 140.6 1.4 -1.6 19.7 183 158 H V E - D 0 166B 13 -17,-2.0 -17,-2.7 -2,-0.3 2,-0.4 -0.979 21.3-143.6-146.6 137.8 1.4 -2.9 23.3 184 159 H N E + D 0 165B 9 -2,-0.3 -19,-0.2 -19,-0.2 -21,-0.0 -0.872 26.7 177.5 -99.1 136.4 1.6 -1.1 26.7 185 160 H L E - D 0 164B 0 -21,-2.4 -21,-2.7 -2,-0.4 2,-0.3 -0.997 26.6-119.5-143.4 138.3 3.6 -2.9 29.4 186 161 H P E - D 0 163B 8 0, 0.0 23,-2.7 0, 0.0 -23,-0.3 -0.527 30.6-114.1 -79.8 140.5 4.6 -2.1 33.0 187 162 H I B -F 208 0B 11 -25,-2.6 -26,-2.6 -28,-0.4 2,-0.4 -0.422 35.9-135.5 -63.7 147.6 8.2 -1.9 34.0 188 163 H V - 0 0 9 19,-2.5 19,-0.5 -28,-0.2 5,-0.1 -0.855 21.0 -96.5-115.4 145.3 9.1 -4.8 36.4 189 164 H E >> - 0 0 79 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.322 35.7-118.3 -58.3 143.5 11.1 -4.6 39.6 190 165 H R H 3> S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 111.2 53.4 -55.5 -45.3 14.7 -5.6 39.2 191 166 H P H 3> S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 109.6 49.1 -59.2 -37.2 14.6 -8.6 41.6 192 167 H V H <4 S+ 0 0 48 -3,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.909 110.9 50.6 -66.8 -40.2 11.7 -10.1 39.7 193 168 H c H >< S+ 0 0 3 -4,-1.8 3,-0.9 1,-0.2 4,-0.2 0.920 113.4 45.8 -56.5 -50.5 13.5 -9.5 36.4 194 169 H K H >< S+ 0 0 95 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.925 110.6 52.2 -64.4 -42.6 16.6 -11.3 37.8 195 170 H D T 3< S+ 0 0 144 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.570 99.4 65.7 -72.7 -4.6 14.6 -14.2 39.3 196 171 H S T < S+ 0 0 15 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.3 0.531 106.5 32.6 -95.7 -0.5 12.9 -14.9 36.0 197 172 H T < - 0 0 20 -3,-1.4 4,-0.1 -4,-0.2 -1,-0.1 -0.971 61.5-135.5-150.9 155.9 16.1 -15.9 34.1 198 173 H R S S+ 0 0 248 -2,-0.3 2,-0.1 2,-0.1 -3,-0.0 0.566 78.4 104.9 -88.5 -10.3 19.4 -17.6 34.4 199 174 H I S S- 0 0 62 1,-0.1 2,-0.5 -5,-0.0 -2,-0.2 -0.407 82.4-109.3 -75.1 147.6 21.0 -14.9 32.3 200 175 H R - 0 0 125 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.630 34.5-150.5 -78.6 123.4 23.1 -12.3 34.1 201 176 H I - 0 0 14 -2,-0.5 2,-0.2 -4,-0.1 -7,-0.0 -0.682 11.0-158.8 -93.7 144.0 21.3 -8.9 34.1 202 177 H T > - 0 0 12 -2,-0.3 3,-1.6 -79,-0.1 -76,-0.0 -0.748 35.1-104.8-120.3 171.9 23.1 -5.6 34.1 203 178 H D T 3 S+ 0 0 97 1,-0.3 62,-0.1 -2,-0.2 -1,-0.0 0.579 116.1 68.7 -66.5 -11.9 22.4 -2.0 35.0 204 179 H N T 3 S+ 0 0 9 57,-0.1 58,-2.6 61,-0.1 2,-0.3 0.245 97.7 61.9 -92.6 12.9 22.1 -1.3 31.3 205 180 H M E < - G 0 261B 4 -3,-1.6 2,-0.3 56,-0.3 56,-0.2 -0.944 55.7-175.6-132.0 155.2 19.0 -3.4 31.0 206 181 H F E - G 0 260B 8 54,-1.7 54,-2.7 -2,-0.3 2,-0.3 -0.953 17.6-138.4-139.5 158.9 15.4 -3.2 32.4 207 182 H c E - G 0 259B 0 -19,-0.5 -19,-2.5 -2,-0.3 2,-0.3 -0.848 16.9-175.0-119.1 159.5 12.6 -5.7 32.0 208 183 H A E +FG 187 258B 0 50,-2.1 50,-2.2 -2,-0.3 -21,-0.2 -0.990 26.0 96.2-148.3 154.4 8.9 -5.1 31.4 209 184 H G - 0 0 5 -23,-2.7 2,-0.2 -2,-0.3 10,-0.1 -0.690 65.4 -72.1 141.6 157.6 5.7 -7.2 31.1 210 184AH Y - 0 0 31 8,-0.4 45,-0.2 -2,-0.2 8,-0.1 -0.575 44.4-119.6 -80.5 148.7 2.8 -8.4 33.2 211 185 H K > - 0 0 42 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.327 30.7-106.5 -76.1 165.1 3.1 -11.0 35.9 212 186 H P G > S+ 0 0 71 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.941 120.9 50.3 -58.3 -42.0 1.2 -14.3 35.6 213 186AH D G 3 S+ 0 0 135 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.484 94.2 72.7 -78.4 2.5 -1.3 -13.2 38.3 214 186BH E G < S- 0 0 85 -3,-1.5 2,-2.3 2,-0.2 -1,-0.2 0.521 89.2-147.8 -94.4 -3.0 -1.9 -9.8 36.7 215 186CH G < + 0 0 58 -3,-1.3 -1,-0.1 -4,-0.3 -2,-0.1 -0.266 64.0 95.7 73.6 -53.8 -3.9 -11.5 34.0 216 186DH K - 0 0 121 -2,-2.3 2,-0.2 1,-0.1 -2,-0.2 -0.168 55.4-173.6 -61.1 161.5 -3.2 -9.2 31.1 217 187 H R + 0 0 93 -186,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.796 20.4 134.7-143.9-166.8 -0.3 -10.1 28.8 218 188 H G + 0 0 5 -2,-0.2 -8,-0.4 -8,-0.1 2,-0.3 -0.460 16.6 178.2 136.9 151.5 1.7 -8.9 25.8 219 189 H D B -A 30 0A 12 -189,-1.5 -189,-2.6 -2,-0.2 2,-0.1 -0.967 33.1-101.2-169.9 160.7 5.4 -8.9 24.8 220 190 H A - 0 0 8 -2,-0.3 32,-0.3 -191,-0.2 2,-0.3 -0.372 45.0-172.7 -77.7 172.4 7.8 -7.9 22.1 221 191 H d > - 0 0 12 -2,-0.1 3,-2.7 30,-0.1 4,-0.4 -0.923 36.0 -43.1-155.8 178.9 9.0 -10.8 19.9 222 192 H E T 3 S+ 0 0 139 -2,-0.3 -51,-2.4 1,-0.3 -49,-0.1 -0.216 126.0 30.4 -48.7 135.0 11.4 -11.7 17.2 223 193 H G T 3 S+ 0 0 15 -53,-0.2 -54,-0.4 -168,-0.2 -1,-0.3 0.090 100.9 83.7 95.5 -21.9 11.5 -9.0 14.5 224 194 H D X + 0 0 0 -3,-2.7 3,-2.2 -56,-0.2 21,-0.3 0.620 63.2 130.1 -82.7 -17.5 10.6 -6.3 17.1 225 195 H S T 3 + 0 0 23 -4,-0.4 -168,-3.8 1,-0.3 21,-0.2 -0.013 69.3 18.5 -33.1 130.9 14.4 -6.1 17.9 226 196 H G T 3 S+ 0 0 0 19,-2.5 -1,-0.3 1,-0.3 -167,-0.1 0.178 95.4 125.7 87.1 -14.9 15.8 -2.6 17.9 227 197 H G < - 0 0 0 -3,-2.2 18,-2.7 1,-0.1 -1,-0.3 -0.120 61.8 -89.4 -73.8 169.1 12.4 -0.9 18.2 228 198 H P E - H 0 244B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.6 -0.639 15.7-156.9 -94.8 145.6 11.5 1.6 20.9 229 199 H F E -EH 166 243B 0 14,-2.1 14,-2.1 -2,-0.3 13,-1.9 -0.984 35.4-175.5-103.3 109.1 10.1 1.3 24.4 230 200 H V E -EH 165 241B 3 -65,-3.0 -65,-2.3 -2,-0.6 2,-0.4 -0.782 19.3-163.8-116.3 156.6 8.6 4.8 24.9 231 201 H M E - H 0 240B 0 9,-2.7 9,-2.5 -2,-0.3 2,-0.7 -0.994 21.3-129.2-132.5 146.5 6.9 6.6 27.8 232 202 H K E - H 0 239B 27 -2,-0.4 7,-0.3 7,-0.2 5,-0.1 -0.852 27.7-130.3 -98.5 116.3 4.8 9.8 27.7 233 203 H S > - 0 0 1 5,-3.2 4,-1.6 -2,-0.7 5,-0.2 -0.423 9.1-155.6 -68.1 131.0 6.1 12.2 30.2 234 204 H P T 4 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.588 90.2 61.0 -79.1 -7.5 3.3 13.6 32.4 235 204AH F T 4 S+ 0 0 143 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.858 126.9 5.7 -85.6 -42.2 5.4 16.7 33.1 236 204BH N T 4 S- 0 0 64 2,-0.2 3,-0.1 -3,-0.0 -1,-0.1 0.324 94.0-121.7-126.3 4.6 5.8 18.1 29.6 237 205 H N < + 0 0 88 -4,-1.6 2,-0.3 1,-0.2 -227,-0.1 0.736 66.9 132.5 61.1 28.3 3.6 15.7 27.6 238 206 H R - 0 0 58 -5,-0.2 -5,-3.2 -233,-0.1 2,-0.4 -0.835 58.2-115.3-106.4 153.2 6.4 14.5 25.3 239 207 H W E - H 0 232B 1 -235,-1.9 -92,-2.3 -2,-0.3 2,-0.4 -0.733 30.2-169.3 -88.1 130.2 7.3 11.0 24.3 240 208 H Y E -cH 147 231B 16 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.9 -0.942 22.4-130.3-117.4 138.3 10.7 9.7 25.4 241 209 H Q E + H 0 230B 0 -94,-2.8 -11,-0.2 -2,-0.4 3,-0.1 -0.804 33.2 165.5 -90.5 107.1 12.4 6.6 24.3 242 210 H M E + 0 0 1 -13,-1.9 21,-1.9 -2,-0.9 22,-0.5 0.706 60.0 22.3 -89.9 -25.4 13.5 4.8 27.5 243 211 H G E -IH 262 229B 0 -14,-2.1 -14,-2.1 19,-0.2 2,-0.4 -0.899 57.4-141.2-142.4 165.2 14.3 1.4 26.1 244 212 H I E -IH 261 228B 0 17,-0.8 17,-2.3 -2,-0.3 2,-0.2 -0.999 39.6-105.9-126.5 132.5 15.3 -0.6 23.0 245 213 H V E +I 260 0B 10 -18,-2.7 -19,-2.5 -2,-0.4 15,-0.2 -0.396 56.9 152.9 -58.3 120.8 13.8 -4.0 22.3 246 214 H S E - 0 0 6 13,-2.1 2,-0.3 1,-0.3 14,-0.2 0.749 46.3 -22.7-121.5 -57.2 16.7 -6.4 23.1 247 215 H W E +I 259 0B 35 12,-1.7 12,-3.0 -25,-0.0 -1,-0.3 -0.993 42.3 171.0-160.0 163.6 16.0 -9.9 24.2 248 216 H G - 0 0 36 -2,-0.3 2,-0.9 10,-0.2 10,-0.1 -0.934 39.1-110.5-168.7 157.2 13.6 -12.3 25.7 249 217 H E S S- 0 0 54 8,-0.4 4,-0.3 -2,-0.3 2,-0.1 -0.859 90.1 -35.0-102.4 101.0 13.3 -16.1 26.3 250 219 H G S S- 0 0 22 -2,-0.9 2,-0.4 2,-0.1 3,-0.0 -0.440 93.0 -77.9 74.1-162.0 10.4 -17.1 24.0 251 220 H d S S- 0 0 16 -2,-0.1 -77,-0.4 1,-0.1 -30,-0.1 -0.988 97.3 -8.4-139.7 131.3 7.7 -14.5 23.7 252 221 H D S S+ 0 0 27 -2,-0.4 2,-0.4 -32,-0.3 -1,-0.1 0.823 83.2 163.6 54.9 39.6 4.8 -13.7 26.1 253 221AH R > - 0 0 113 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.746 46.2-104.4 -84.0 134.9 5.7 -16.7 28.3 254 222 H D T 3 S+ 0 0 108 -2,-0.4 3,-0.1 1,-0.3 -43,-0.1 -0.367 108.2 16.6 -55.4 143.0 4.2 -16.7 31.8 255 223 H G T 3 S+ 0 0 32 1,-0.2 2,-0.3 -45,-0.2 -1,-0.3 0.309 109.4 100.9 68.4 0.4 6.8 -15.8 34.4 256 224 H K < - 0 0 62 -3,-2.1 2,-0.3 -46,-0.1 -1,-0.2 -0.764 54.2-160.4-109.9 159.6 9.1 -14.4 31.6 257 225 H Y - 0 0 12 -2,-0.3 -8,-0.4 -64,-0.1 2,-0.3 -0.942 22.6-108.5-137.0 154.0 9.7 -10.7 30.7 258 226 H G E -G 208 0B 3 -50,-2.2 -50,-2.1 -2,-0.3 2,-0.4 -0.626 32.9-141.6 -83.9 146.3 11.0 -8.8 27.8 259 227 H F E -GI 207 247B 2 -12,-3.0 -13,-2.1 -2,-0.3 -12,-1.7 -0.891 16.9-168.7-113.5 142.1 14.3 -7.1 28.3 260 228 H Y E -GI 206 245B 2 -54,-2.7 -54,-1.7 -2,-0.4 -15,-0.2 -0.969 28.1-108.5-129.6 139.7 15.2 -3.7 27.0 261 229 H T E -GI 205 244B 2 -17,-2.3 2,-1.1 -2,-0.4 -17,-0.8 -0.495 36.5-121.7 -64.8 136.5 18.4 -1.7 26.6 262 230 H H E > - I 0 243B 26 -58,-2.6 4,-0.8 1,-0.2 3,-0.4 -0.664 27.4-168.9 -83.6 96.3 18.5 1.2 29.2 263 231 H V T >4 S+ 0 0 0 -21,-1.9 3,-1.6 -2,-1.1 4,-0.2 0.925 80.8 53.5 -60.7 -43.6 18.8 4.2 26.9 264 232 H F G >4 S+ 0 0 38 -22,-0.5 3,-1.5 1,-0.3 4,-0.3 0.878 103.5 58.1 -61.7 -34.9 19.6 6.8 29.5 265 233 H R G 34 S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.706 112.2 41.0 -66.5 -19.7 22.4 4.6 30.9 266 234 H L G S+ 0 0 52 -3,-1.5 4,-3.0 1,-0.2 5,-0.3 0.849 71.6 62.6 -71.2 -29.0 23.4 8.4 26.6 268 236 H K H > S+ 0 0 151 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.957 107.4 45.5 -55.9 -47.8 27.0 9.5 27.2 269 237 H W H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 112.1 51.9 -60.9 -42.6 28.0 7.1 24.4 270 238 H I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.913 111.8 45.4 -61.4 -40.3 25.1 8.4 22.2 271 239 H Q H X S+ 0 0 73 -4,-3.0 4,-3.8 2,-0.2 5,-0.2 0.907 110.3 53.8 -72.9 -42.6 26.1 12.0 22.7 272 240 H K H X S+ 0 0 136 -4,-2.4 4,-3.1 -5,-0.3 5,-0.4 0.948 111.6 45.4 -53.0 -51.7 29.8 11.4 22.1 273 241 H V H X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.951 116.8 44.2 -59.2 -49.1 29.0 9.7 18.8 274 242 H I H X S+ 0 0 30 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.874 116.2 48.8 -66.2 -37.5 26.6 12.4 17.7 275 243 H D H < S+ 0 0 119 -4,-3.8 -1,-0.2 2,-0.2 -2,-0.2 0.882 117.5 38.4 -67.3 -42.6 29.0 15.1 18.9 276 244 H Q H < S+ 0 0 142 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.808 130.4 29.9 -81.2 -29.1 32.1 13.6 17.1 277 245 H F H < 0 0 84 -4,-2.8 -2,-0.2 -5,-0.4 -3,-0.2 0.436 360.0 360.0-114.1 7.1 30.3 12.6 14.0 278 246 H G < 0 0 60 -4,-1.2 -4,-0.2 -5,-0.2 -3,-0.1 0.316 360.0 360.0 56.8 360.0 27.6 15.2 14.0 279 !* 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 0.0 280 55 I D 0 0 137 0, 0.0 2,-0.4 0, 0.0 -227,-0.1 0.000 360.0 360.0 360.0 -30.7 6.2 -11.2 0.9 281 56 I F - 0 0 31 -229,-0.4 -183,-0.2 1,-0.1 2,-0.1 -0.729 360.0-112.8 -97.0 132.7 7.2 -7.6 0.5 282 57 I E - 0 0 104 -185,-2.0 -1,-0.1 -2,-0.4 0, 0.0 -0.396 44.4-106.6 -59.7 131.5 6.1 -5.2 -2.2 283 58 I E - 0 0 72 -2,-0.1 -184,-0.1 1,-0.1 -1,-0.1 -0.276 35.8-134.0 -60.5 148.1 9.1 -4.3 -4.3 284 59 I I - 0 0 11 1,-0.1 5,-0.1 -3,-0.1 2,-0.1 -0.638 35.3 -71.4-104.9 163.2 10.5 -0.8 -3.7 285 60 I P >> - 0 0 30 0, 0.0 3,-3.1 0, 0.0 4,-0.6 -0.314 41.5-128.2 -55.3 126.0 11.5 1.9 -6.2 286 61 I E G >4 S+ 0 0 84 1,-0.3 3,-0.8 2,-0.2 -2,-0.0 0.729 103.4 74.3 -45.2 -33.0 14.7 0.9 -8.0 287 62 I E G 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.840 95.6 50.8 -55.5 -31.7 16.2 4.3 -7.1 288 63 I X G <4 0 0 69 -3,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 360.0 360.0 -82.2 -18.2 16.5 3.1 -3.5 289 64 I L << 0 0 95 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.597 360.0 360.0 -89.8 360.0 18.3 -0.1 -4.5