==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-DEC-04 1YBG . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR S.ESCHENBURG,M.A.PRIESTMAN,F.A.ABDUL-LATIF,C.DELACHAUME,F.FA . 1676 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1269 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 281 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 16 1.0 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 . 162 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 6 2 5 3 4 9 7 6 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 5 11 8 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 7 16 24 3 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 . 0 0 19 1 0 0 2 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 M 0 0 94 0, 0.0 391,-0.1 0, 0.0 416,-0.1 0.000 360.0 360.0 360.0 101.2 -68.1 -32.3 83.8 2 2 A D + 0 0 50 418,-0.2 391,-1.1 389,-0.1 390,-0.5 -0.211 360.0 172.1 -61.0 155.0 -67.0 -30.5 80.6 3 3 A K E -AB 391 417A 37 414,-1.6 414,-2.6 389,-0.2 2,-0.5 -0.978 30.8-109.7-158.7 165.5 -63.3 -29.5 80.2 4 4 A F E -AB 390 416A 0 386,-2.5 386,-2.7 -2,-0.3 2,-0.6 -0.912 17.6-163.0-109.8 125.4 -60.8 -28.1 77.8 5 5 A R E -AB 389 415A 85 410,-2.6 410,-1.7 -2,-0.5 2,-0.3 -0.912 20.3-174.2-104.0 116.5 -58.0 -30.2 76.3 6 6 A V E -AB 388 414A 0 382,-3.5 382,-3.0 -2,-0.6 2,-0.5 -0.858 15.3-154.1-116.2 149.7 -55.4 -27.9 74.8 7 7 A Q E -AB 387 413A 64 406,-2.2 406,-0.7 -2,-0.3 380,-0.2 -0.981 32.1-105.6-124.1 129.8 -52.3 -28.5 72.8 8 8 A G E +A 386 0A 17 378,-2.9 378,-1.7 -2,-0.5 375,-0.2 -0.780 68.0 26.8-130.5 176.3 -49.3 -26.2 72.7 9 9 A P + 0 0 53 0, 0.0 2,-0.4 0, 0.0 374,-0.3 0.499 64.7 152.8 -88.2 149.5 -47.4 -24.3 71.9 10 10 A T - 0 0 31 372,-2.3 2,-0.4 -2,-0.1 402,-0.1 -1.000 43.0-125.9-136.9 133.7 -49.4 -22.3 69.5 11 11 A R - 0 0 118 -2,-0.4 2,-0.7 400,-0.1 236,-0.1 -0.674 25.0-142.5 -78.7 130.2 -49.0 -18.6 68.5 12 12 A L + 0 0 0 -2,-0.4 2,-0.3 230,-0.4 399,-0.2 -0.854 41.9 138.7 -97.1 112.4 -52.3 -16.9 69.0 13 13 A Q + 0 0 96 397,-2.9 2,-0.4 -2,-0.7 237,-0.2 -0.988 22.3 61.1-151.7 158.1 -52.9 -14.3 66.3 14 14 A G E S-d 250 0B 34 235,-2.3 237,-1.2 -2,-0.3 2,-0.3 -0.994 82.1 -43.2 131.6-130.2 -55.6 -12.9 64.0 15 15 A E E -d 251 0B 92 -2,-0.4 2,-0.3 394,-0.3 237,-0.2 -0.957 37.5-170.6-141.7 158.9 -58.8 -11.2 65.1 16 16 A V E -d 252 0B 7 235,-1.8 237,-2.9 -2,-0.3 2,-0.6 -0.990 20.5-135.4-148.6 140.1 -61.5 -11.5 67.6 17 17 A T E -d 253 0B 76 -2,-0.3 2,-0.3 235,-0.2 237,-0.2 -0.897 28.3-130.3-100.5 120.5 -64.9 -9.7 67.9 18 18 A I - 0 0 1 235,-2.8 3,-0.1 -2,-0.6 215,-0.1 -0.501 20.6-134.7 -72.5 130.7 -65.5 -8.7 71.5 19 19 A S - 0 0 12 -2,-0.3 213,-2.4 1,-0.1 2,-0.2 -0.174 32.0 -83.7 -75.9 174.2 -68.9 -9.6 73.0 20 20 A G B -G 231 0C 2 211,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.589 51.6-105.4 -77.8 141.0 -71.2 -7.4 75.0 21 21 A A >> - 0 0 0 209,-2.4 4,-2.6 -2,-0.2 3,-1.8 -0.571 20.5-156.6 -72.5 118.9 -70.3 -7.4 78.7 22 22 A K H 3> S+ 0 0 20 -2,-0.5 4,-2.7 1,-0.3 -1,-0.2 0.825 93.7 68.5 -62.6 -30.0 -72.8 -9.4 80.6 23 23 A N H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.719 110.4 34.3 -62.8 -18.5 -71.8 -7.3 83.6 24 24 A A H <> S+ 0 0 0 -3,-1.8 4,-1.8 206,-0.2 -2,-0.2 0.797 115.2 55.0-100.2 -42.6 -73.4 -4.4 81.8 25 25 A A H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.925 103.3 57.2 -56.1 -48.5 -76.3 -6.3 80.2 26 26 A L H X S+ 0 0 8 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.951 110.0 41.1 -50.6 -60.8 -77.5 -7.8 83.5 27 27 A P H > S+ 0 0 3 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.835 117.1 51.7 -60.0 -28.2 -78.1 -4.5 85.3 28 28 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.949 105.7 52.8 -72.1 -48.2 -79.5 -3.1 82.0 29 29 A L H < S+ 0 0 0 -4,-3.6 4,-0.3 1,-0.3 -1,-0.2 0.867 113.6 43.7 -54.4 -41.4 -82.0 -5.9 81.5 30 30 A F H >< S+ 0 0 2 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.3 0.830 109.0 57.1 -74.4 -31.6 -83.4 -5.4 85.0 31 31 A A H >< S+ 0 0 1 -4,-1.4 3,-2.8 -5,-0.3 4,-0.3 0.895 92.1 72.8 -64.2 -34.7 -83.4 -1.7 84.5 32 32 A A G >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.3 0.693 74.9 80.1 -52.1 -22.4 -85.6 -2.4 81.5 33 33 A L G < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.780 87.8 58.8 -56.6 -24.1 -88.5 -3.2 83.9 34 34 A L G < S+ 0 0 0 -3,-2.8 188,-0.6 -4,-0.2 2,-0.4 0.709 81.9 104.5 -79.0 -18.8 -88.8 0.6 84.2 35 35 A A B < -h 222 0D 1 -3,-1.8 40,-0.4 -4,-0.3 188,-0.2 -0.485 49.4-170.3 -71.0 121.4 -89.5 1.0 80.4 36 36 A E S S+ 0 0 67 186,-2.5 187,-0.2 187,-0.4 188,-0.2 0.780 74.5 47.4 -80.7 -26.0 -93.1 1.6 79.6 37 37 A E S S- 0 0 89 186,-0.9 38,-0.2 185,-0.3 188,-0.1 -0.738 107.1 -71.3-111.9 160.8 -92.5 1.2 75.9 38 38 A P - 0 0 80 0, 0.0 187,-1.8 0, 0.0 2,-0.4 -0.072 47.4-157.0 -51.4 146.2 -90.7 -1.6 74.0 39 39 A V E -Ij 73 225E 3 34,-2.7 34,-2.9 185,-0.3 2,-0.7 -0.989 12.3-155.7-131.9 135.1 -86.9 -1.7 74.3 40 40 A E E -Ij 72 226E 45 185,-3.5 187,-2.4 -2,-0.4 2,-0.7 -0.934 11.3-166.6-109.5 112.5 -84.3 -3.3 72.0 41 41 A I E -Ij 71 227E 0 30,-2.7 30,-2.7 -2,-0.7 3,-0.3 -0.893 14.9-159.3-100.3 113.4 -81.1 -4.1 74.0 42 42 A Q E +Ij 70 228E 58 185,-3.4 187,-3.0 -2,-0.7 28,-0.2 -0.611 59.5 28.5 -95.8 153.3 -78.4 -4.8 71.5 43 43 A N S S+ 0 0 27 26,-0.6 27,-0.2 1,-0.2 -1,-0.2 0.909 71.4 158.2 71.0 46.8 -75.1 -6.7 71.9 44 44 A V - 0 0 6 25,-2.1 -1,-0.2 -3,-0.3 -23,-0.1 -0.880 36.2-129.2-104.2 128.9 -76.1 -9.0 74.6 45 45 A P - 0 0 1 0, 0.0 2,-0.9 0, 0.0 -24,-0.0 -0.260 18.3-115.4 -71.3 164.0 -74.1 -12.2 75.0 46 46 A K + 0 0 108 4,-0.1 2,-0.3 3,-0.0 356,-0.2 -0.829 60.2 137.6-103.5 94.0 -75.7 -15.6 75.2 47 47 A L >> - 0 0 9 -2,-0.9 4,-1.8 354,-0.1 3,-1.5 -0.944 66.4 -98.8-136.9 156.7 -74.8 -16.9 78.7 48 48 A K H 3> S+ 0 0 117 -2,-0.3 4,-3.0 349,-0.3 5,-0.2 0.841 119.4 51.4 -41.1 -53.8 -76.6 -18.7 81.5 49 49 A D H 3> S+ 0 0 18 349,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.767 106.9 54.5 -61.1 -27.7 -77.4 -15.5 83.6 50 50 A I H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.923 110.6 46.0 -71.2 -43.3 -78.9 -13.8 80.5 51 51 A D H X S+ 0 0 78 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.970 113.8 49.0 -60.9 -51.9 -81.2 -16.8 80.0 52 52 A T H X S+ 0 0 16 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.896 110.6 50.5 -54.0 -43.2 -82.1 -16.8 83.7 53 53 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.935 109.2 51.3 -62.5 -44.7 -82.8 -13.1 83.7 54 54 A M H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.852 111.0 48.4 -60.8 -36.3 -85.1 -13.5 80.6 55 55 A K H X S+ 0 0 121 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.974 111.3 49.3 -68.2 -51.5 -87.0 -16.2 82.4 56 56 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.8 47.4 -53.9 -47.8 -87.4 -14.2 85.6 57 57 A L H ><>S+ 0 0 1 -4,-2.9 3,-2.9 1,-0.2 5,-1.7 0.971 110.4 52.0 -59.0 -51.6 -88.6 -11.1 83.6 58 58 A T H ><5S+ 0 0 75 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.902 105.8 55.7 -52.2 -41.1 -91.1 -13.3 81.7 59 59 A Q T 3<5S+ 0 0 92 -4,-2.8 -1,-0.3 1,-0.3 23,-0.2 0.383 101.9 58.1 -75.0 8.1 -92.4 -14.6 85.0 60 60 A L T < 5S- 0 0 0 -3,-2.9 20,-2.0 2,-0.2 19,-1.0 0.337 129.0 -95.2-112.3 0.1 -93.1 -11.1 86.1 61 61 A G T < 5S+ 0 0 21 -3,-1.9 2,-0.3 -4,-0.4 16,-0.2 0.446 81.1 135.0 102.9 2.7 -95.3 -10.5 83.1 62 62 A T < - 0 0 3 -5,-1.7 2,-0.6 -6,-0.2 -1,-0.3 -0.670 56.0-125.2 -88.6 138.6 -92.8 -8.9 80.8 63 63 A K E -K 74 0E 113 11,-2.6 11,-2.3 -2,-0.3 2,-0.4 -0.728 38.0-178.7 -81.9 121.2 -92.8 -10.1 77.1 64 64 A V E +K 73 0E 31 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.959 13.9 156.9-127.7 140.1 -89.2 -11.2 76.3 65 65 A E E +K 72 0E 135 7,-1.8 7,-4.4 -2,-0.4 2,-0.2 -0.963 9.4 177.7-159.1 144.6 -87.5 -12.5 73.2 66 66 A R E K 71 0E 51 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.724 360.0 360.0-135.6-175.4 -83.9 -12.6 71.8 67 67 A X 0 0 75 3,-1.2 -1,-0.1 -2,-0.2 5,-0.0 -0.306 360.0 360.0 -93.6 360.0 -81.7 -13.8 69.0 68 ! 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 69 68 A G 0 0 58 0, 0.0 -25,-2.1 0, 0.0 -26,-0.6 0.000 360.0 360.0 360.0 -12.2 -77.9 -10.6 68.9 70 69 A S E -I 42 0E 9 -28,-0.2 -3,-1.2 -27,-0.2 2,-0.5 -0.796 360.0-126.3-127.8 169.8 -80.2 -8.5 71.0 71 70 A V E -IK 41 66E 0 -30,-2.7 -30,-2.7 -2,-0.3 2,-0.5 -0.976 20.6-148.3-118.3 127.3 -82.9 -9.0 73.6 72 71 A W E -IK 40 65E 102 -7,-4.4 -7,-1.8 -2,-0.5 2,-0.4 -0.842 15.1-166.3 -99.9 133.4 -86.3 -7.4 73.1 73 72 A I E +IK 39 64E 4 -34,-2.9 -34,-2.7 -2,-0.5 2,-0.5 -0.963 18.9 179.1-125.8 129.3 -88.2 -6.3 76.1 74 73 A D E + K 0 63E 36 -11,-2.3 -11,-2.6 -2,-0.4 3,-0.3 -0.918 13.8 160.7-125.7 101.9 -91.9 -5.2 76.5 75 74 A A > + 0 0 1 -2,-0.5 3,-1.1 -40,-0.4 -1,-0.1 0.082 41.2 112.0-107.6 20.1 -92.5 -4.4 80.2 76 75 A S T 3 S+ 0 0 45 1,-0.2 -1,-0.2 -13,-0.1 -14,-0.1 0.794 86.0 37.5 -62.2 -27.9 -95.6 -2.4 79.4 77 76 A N T 3 S+ 0 0 95 -3,-0.3 -1,-0.2 -16,-0.2 2,-0.2 0.019 70.2 153.6-119.4 30.7 -97.6 -5.1 81.2 78 77 A V < + 0 0 7 -3,-1.1 -17,-0.3 1,-0.2 -16,-0.1 -0.422 9.1 161.1 -58.3 120.4 -95.6 -6.4 84.1 79 78 A N + 0 0 114 -19,-1.0 2,-0.5 -2,-0.2 -18,-0.2 0.394 48.6 70.9-127.2 0.7 -98.3 -7.7 86.5 80 79 A N - 0 0 64 -20,-2.0 -1,-0.1 1,-0.1 0, 0.0 -0.985 52.1-175.8-120.4 124.8 -96.5 -10.0 88.9 81 80 A F + 0 0 42 -2,-0.5 28,-1.8 1,-0.1 2,-0.5 0.145 53.6 91.4-111.6 25.2 -94.2 -8.5 91.5 82 81 A S E -l 109 0F 43 -23,-0.2 28,-0.2 26,-0.2 -1,-0.1 -0.913 66.4-141.8-123.4 106.8 -92.7 -11.4 93.2 83 82 A A E -l 110 0F 4 26,-1.9 28,-0.5 -2,-0.5 -23,-0.1 -0.510 32.4-115.4 -66.1 118.4 -89.4 -12.8 91.9 84 83 A P >> - 0 0 30 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.279 10.3-133.8 -60.1 132.8 -89.6 -16.7 92.2 85 84 A Y H 3> S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 101.6 65.0 -51.1 -44.5 -87.2 -18.3 94.6 86 85 A D H 34 S+ 0 0 112 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.863 113.3 29.6 -50.0 -45.9 -86.4 -21.0 92.0 87 86 A L H X4 S+ 0 0 14 -3,-0.7 3,-1.4 2,-0.1 4,-0.4 0.895 116.8 59.1 -82.5 -42.1 -84.8 -18.5 89.5 88 87 A V H >< S+ 0 0 14 -4,-2.6 3,-1.4 1,-0.3 6,-0.3 0.861 96.2 61.9 -52.7 -43.5 -83.6 -16.0 92.1 89 88 A K T 3< S+ 0 0 122 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.710 93.7 65.7 -58.7 -23.5 -81.3 -18.6 93.9 90 89 A T T < S+ 0 0 65 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.654 106.0 28.9 -78.3 -16.4 -79.2 -19.1 90.8 91 90 A M X - 0 0 16 -3,-1.4 3,-1.3 -4,-0.4 4,-0.2 -0.996 58.2-136.9-153.2 146.5 -77.7 -15.7 90.6 92 91 A R G > S+ 0 0 209 -2,-0.3 3,-1.2 1,-0.2 4,-0.2 0.803 100.5 71.1 -63.0 -32.2 -76.6 -12.5 92.4 93 92 A A G > S+ 0 0 11 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.609 74.4 86.0 -63.7 -12.0 -78.1 -10.3 89.8 94 93 A S G X S+ 0 0 3 -3,-1.3 3,-2.4 -6,-0.3 4,-0.3 0.830 74.5 69.9 -56.3 -37.5 -81.7 -11.2 90.9 95 94 A I G X> S+ 0 0 14 -3,-1.2 3,-1.9 1,-0.3 4,-0.5 0.776 83.1 73.1 -54.8 -28.3 -81.6 -8.5 93.6 96 95 A W G <4 S+ 0 0 33 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.590 82.7 68.1 -64.7 -10.8 -81.8 -5.9 90.8 97 96 A A G <> S+ 0 0 0 -3,-2.4 4,-1.1 1,-0.1 -1,-0.3 0.601 88.9 70.5 -82.9 -11.4 -85.4 -6.8 90.1 98 97 A L H <> S+ 0 0 1 -3,-1.9 4,-1.9 -4,-0.3 5,-0.2 0.980 95.8 43.6 -70.2 -59.3 -86.3 -5.3 93.5 99 98 A G H X S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.913 112.1 51.0 -56.0 -49.6 -85.8 -1.6 93.0 100 99 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.925 110.0 51.4 -56.2 -45.3 -87.4 -1.2 89.6 101 100 A L H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 6,-1.1 0.915 114.1 41.8 -59.1 -45.0 -90.6 -3.0 90.8 102 101 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 4,-0.3 -1,-0.2 0.912 116.5 49.4 -71.6 -38.4 -91.0 -0.8 93.8 103 102 A A H < S+ 0 0 14 -4,-2.9 49,-0.2 -5,-0.2 -2,-0.2 0.938 124.3 27.5 -67.5 -43.0 -90.2 2.3 91.9 104 103 A R H < S+ 0 0 42 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.851 137.5 22.5 -88.5 -35.2 -92.5 1.7 89.0 105 104 A F H < S- 0 0 54 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.343 97.6-116.3-116.2 7.5 -95.2 -0.4 90.6 106 105 A G S < S+ 0 0 20 -4,-1.5 42,-2.0 -5,-0.2 2,-0.3 0.381 87.3 60.1 77.1 -4.2 -95.0 0.4 94.3 107 106 A Q E + M 0 147F 76 -6,-1.1 2,-0.3 40,-0.2 40,-0.2 -0.978 46.7 164.4-160.2 144.8 -94.1 -3.1 95.3 108 107 A G E - 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0 0 2 -5,-1.8 2,-0.7 -8,-0.2 -1,-0.3 -0.458 41.1-136.5 -79.5 149.4 -68.9 25.4 109.4 766 344 B H E +H 777 0Y 111 11,-0.8 11,-2.5 -29,-0.3 2,-0.3 -0.904 44.7 136.1-108.8 110.7 -71.3 22.4 109.7 767 345 B A E -H 776 0Y 14 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.993 37.0-151.0-151.6 156.9 -69.5 19.1 109.4 768 346 B E E -H 775 0Y 80 7,-2.3 7,-3.2 -2,-0.3 2,-0.5 -0.994 13.9-142.7-130.0 137.4 -69.2 15.7 111.0 769 347 B I E +H 774 0Y 47 -2,-0.4 2,-0.3 5,-0.3 5,-0.3 -0.875 21.2 176.1 -98.3 128.8 -66.2 13.4 111.1 770 348 B E - 0 0 107 3,-2.5 2,-0.4 -2,-0.5 4,-0.1 -0.754 59.0 -63.8-134.0 84.0 -67.1 9.8 110.6 771 349 B S S S- 0 0 60 -2,-0.3 402,-0.1 1,-0.2 -1,-0.1 -0.598 121.2 -6.6 76.9-129.2 -63.9 7.6 110.5 772 350 B N S S+ 0 0 41 -2,-0.4 -25,-2.9 -3,-0.1 2,-0.3 -0.055 128.7 84.3 -88.2 31.9 -61.6 8.4 107.6 773 351 B T E -G 746 0Y 18 -27,-0.2 -3,-2.5 -25,-0.0 2,-0.4 -0.950 58.8-159.7-137.8 152.9 -64.4 10.7 106.4 774 352 B V E -GH 745 769Y 0 -29,-1.2 -29,-2.1 -2,-0.3 2,-0.7 -0.956 14.9-149.6-134.9 114.5 -65.8 14.2 106.9 775 353 B I E -GH 744 768Y 17 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.4 -0.772 20.4-156.4 -84.0 118.3 -69.4 14.9 106.0 776 354 B C E -GH 743 767Y 0 -33,-3.1 -33,-2.0 -2,-0.7 2,-0.6 -0.821 16.3-169.8-103.9 135.2 -69.7 18.5 104.9 777 355 B H E -GH 742 766Y 56 -11,-2.5 -11,-0.8 -2,-0.4 -35,-0.2 -0.923 27.4-132.7-122.5 101.1 -72.8 20.7 104.9 778 356 B G - 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0 0 9 23,-0.6 27,-0.1 -2,-0.3 6,-0.1 -0.972 19.7-152.5-150.4 136.2 -53.3 24.4 112.3 790 368 B T S S+ 0 0 61 -2,-0.3 2,-0.1 26,-0.1 -1,-0.1 0.854 73.8 89.5 -78.8 -36.2 -50.0 22.6 112.3 791 369 B D S > S- 0 0 55 1,-0.1 4,-2.8 2,-0.0 5,-0.2 -0.430 78.3-133.5 -65.3 133.6 -50.4 21.0 108.9 792 370 B L H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 103.4 39.0 -49.6 -58.4 -49.0 23.1 106.1 793 371 B R H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 114.4 53.3 -65.5 -40.1 -52.1 22.7 103.8 794 372 B A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 109.6 50.6 -62.0 -42.3 -54.6 22.8 106.6 795 373 B S H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.906 107.5 51.1 -63.2 -42.7 -53.1 26.1 107.6 796 374 B A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.840 106.8 56.8 -64.3 -30.3 -53.2 27.6 104.1 797 375 B S H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 -1,-0.2 0.909 103.1 53.3 -66.0 -40.7 -56.9 26.6 104.0 798 376 B L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.898 106.7 52.0 -60.5 -42.1 -57.5 28.6 107.2 799 377 B V H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.877 112.0 46.7 -62.3 -36.0 -56.0 31.7 105.6 800 378 B L H >X S+ 0 0 1 -4,-1.6 4,-1.0 2,-0.2 3,-0.6 0.941 110.5 52.3 -70.6 -44.3 -58.3 31.1 102.6 801 379 B A H >X S+ 0 0 0 -4,-3.4 4,-1.0 1,-0.3 3,-0.9 0.911 106.8 53.6 -55.6 -43.6 -61.3 30.6 105.0 802 380 B G H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.2 3,-0.3 0.826 102.0 60.1 -61.3 -31.7 -60.4 33.9 106.6 803 381 B C H << S+ 0 0 0 -4,-1.1 -372,-2.2 -3,-0.6 -1,-0.2 0.750 114.6 32.5 -68.8 -27.3 -60.5 35.6 103.2 804 382 B I H << S+ 0 0 17 -4,-1.0 -22,-0.4 -3,-0.9 -1,-0.2 0.397 100.0 104.6-108.8 -0.4 -64.1 34.8 102.6 805 383 B A S < S- 0 0 0 -4,-1.0 2,-0.6 -3,-0.3 -22,-0.2 -0.402 80.5-101.9 -81.6 159.1 -65.3 34.9 106.2 806 384 B E B S-i 783 0Z 106 -24,-2.8 -22,-2.7 -2,-0.1 2,-0.3 -0.696 85.1 -16.1 -83.2 118.1 -67.3 37.7 107.7 807 385 B G E S-G 429 0N 31 -378,-1.9 -378,-3.7 -2,-0.6 2,-0.4 -0.681 108.4 -11.6 99.1-145.9 -65.0 39.9 109.7 808 386 B T E -G 428 0N 60 -2,-0.3 2,-0.4 -380,-0.2 -380,-0.2 -0.856 50.7-171.8-106.0 135.3 -61.5 39.4 111.1 809 387 B T E -G 427 0N 0 -382,-3.0 -382,-3.7 -2,-0.4 2,-0.5 -0.971 6.1-161.6-124.9 138.6 -59.7 36.1 111.1 810 388 B V E -Gi 426 786N 25 -25,-2.0 -23,-2.3 -2,-0.4 2,-0.6 -0.946 2.8-167.4-124.6 109.3 -56.3 35.4 112.9 811 389 B V E -Gi 425 787N 0 -386,-2.6 -386,-2.2 -2,-0.5 3,-0.3 -0.851 14.5-158.1 -96.3 121.3 -54.4 32.4 111.8 812 390 B D E +Gi 424 788N 39 -25,-2.4 -23,-0.6 -2,-0.6 -388,-0.2 -0.525 65.0 31.6 -96.1 166.5 -51.6 31.7 114.3 813 391 B R > + 0 0 42 -390,-0.6 3,-0.9 -2,-0.2 4,-0.2 0.930 63.5 162.9 53.5 54.2 -48.4 29.7 113.7 814 392 B I T >> + 0 0 0 -391,-1.2 4,-2.1 -3,-0.3 3,-0.6 0.428 52.0 91.5 -82.6 1.6 -48.1 30.6 110.0 815 393 B Y H 3> S+ 0 0 100 -392,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.829 77.9 64.9 -66.1 -25.9 -44.5 29.6 109.9 816 394 B H H <> S+ 0 0 37 -3,-0.9 4,-0.7 1,-0.2 3,-0.3 0.918 106.3 43.0 -59.5 -39.1 -45.8 26.2 108.9 817 395 B I H X> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.2 3,-0.6 0.866 105.9 62.0 -71.8 -40.0 -47.1 28.0 105.7 818 396 B D H 3< S+ 0 0 48 -4,-2.1 -349,-0.3 1,-0.2 -1,-0.2 0.738 100.9 54.5 -60.3 -23.1 -43.9 29.9 105.3 819 397 B R H 3< S+ 0 0 79 -4,-1.3 -349,-0.3 -3,-0.3 -1,-0.2 0.813 119.6 28.9 -81.0 -30.5 -41.9 26.7 104.8 820 398 B G H << S+ 0 0 4 -4,-0.7 2,-0.4 -3,-0.6 -377,-0.2 0.536 115.2 59.9-107.9 -8.0 -44.1 25.3 102.0 821 399 B Y S < S- 0 0 4 -4,-2.2 2,-0.8 -5,-0.1 3,-0.4 -0.986 71.7-135.9-126.5 130.3 -45.4 28.5 100.3 822 400 B E S S- 0 0 37 -2,-0.4 5,-0.1 1,-0.2 -382,-0.1 -0.725 82.8 -30.3 -86.4 109.2 -43.3 31.2 98.7 823 401 B R S > S+ 0 0 156 -2,-0.8 4,-1.4 -356,-0.2 -1,-0.2 0.930 74.6 170.6 51.0 57.6 -44.7 34.6 99.7 824 402 B I H > S+ 0 0 2 -3,-0.4 4,-2.5 1,-0.2 3,-0.3 0.918 74.2 55.8 -65.1 -39.9 -48.3 33.5 100.1 825 403 B E H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 107.5 50.4 -60.3 -33.5 -49.4 36.8 101.6 826 404 B D H > S+ 0 0 64 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.812 112.5 45.1 -74.2 -32.5 -48.0 38.7 98.6 827 405 B K H X S+ 0 0 14 -4,-1.4 4,-0.6 -3,-0.3 -2,-0.2 0.830 113.2 49.7 -80.1 -35.6 -49.9 36.5 96.1 828 406 B L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-1.4 0.942 108.7 52.5 -67.2 -46.2 -53.2 36.6 98.0 829 407 B R H ><5S+ 0 0 105 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.867 105.0 56.5 -55.6 -39.3 -53.1 40.4 98.3 830 408 B A H 3<5S+ 0 0 73 -4,-1.0 -394,-0.3 1,-0.3 -1,-0.3 0.712 103.6 53.8 -67.6 -20.0 -52.6 40.6 94.6 831 409 B L T <<5S- 0 0 3 -3,-1.4 -397,-2.5 -4,-0.6 -1,-0.3 0.365 134.0 -91.3 -94.0 4.0 -55.8 38.6 94.2 832 410 B G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.412 75.2 149.2 106.0 -0.7 -57.6 41.1 96.3 833 411 B A < - 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