==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-11 3ROI . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR S.H.LIGHT,G.MINASOV,S.N.KRISHNA,A.S.HALAVATY,L.SHUVALOVA,L.P . 863 5 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 3 5 4 1 1 2 5 5 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 2 3 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 PARALLEL BRIDGES PER LADDER . 1 1 3 8 7 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 . 0 0 10 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 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 0 A A 0 0 65 0, 0.0 405,-0.2 0, 0.0 409,-0.2 0.000 360.0 360.0 360.0-167.1 7.0 17.6 -49.5 2 1 A M + 0 0 62 403,-0.1 404,-3.5 427,-0.1 405,-0.4 0.865 360.0 26.6 -60.7 -40.9 4.5 16.2 -52.0 3 2 A D E S-A 430 0A 1 427,-3.0 427,-3.2 402,-0.2 2,-0.4 -0.885 73.4-137.1-119.8 154.6 5.6 12.5 -51.5 4 3 A Y E -AB 429 403A 8 399,-2.5 399,-3.2 -2,-0.3 2,-0.4 -0.894 14.5-163.9-108.9 140.7 7.2 10.7 -48.5 5 4 A Q E -AB 428 402A 45 423,-2.5 423,-2.0 -2,-0.4 2,-0.3 -0.974 9.6-173.0-122.0 135.6 10.0 8.2 -48.9 6 5 A T E -AB 427 401A 2 395,-2.2 395,-0.7 -2,-0.4 421,-0.2 -0.856 13.1-161.3-122.8 163.7 11.0 5.8 -46.2 7 6 A I - 0 0 91 419,-0.8 419,-0.5 -2,-0.3 391,-0.1 -0.979 43.8 -82.0-138.5 147.1 13.7 3.3 -45.6 8 7 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 387,-0.2 -0.086 47.3-121.3 -50.1 143.5 13.6 0.4 -43.1 9 8 A S - 0 0 16 386,-2.2 3,-0.1 385,-0.1 416,-0.1 -0.617 3.7-143.7 -90.8 148.0 14.3 1.2 -39.4 10 9 A Q S S- 0 0 188 414,-0.3 -1,-0.1 1,-0.3 2,-0.1 0.485 78.0 -58.6 -82.7 -4.9 17.1 -0.4 -37.3 11 10 A G - 0 0 16 413,-0.4 -1,-0.3 384,-0.1 237,-0.2 -0.099 58.5-102.3 129.7 131.2 14.7 -0.2 -34.3 12 11 A L + 0 0 0 233,-0.3 237,-2.5 229,-0.2 2,-0.3 -0.492 43.7 161.2 -81.4 150.4 12.9 2.7 -32.7 13 12 A S E +d 249 0B 77 410,-2.2 237,-0.2 235,-0.2 2,-0.2 -0.979 23.1 61.2-162.3 154.7 14.0 4.3 -29.4 14 13 A G E -d 250 0B 35 235,-0.9 237,-1.7 -2,-0.3 2,-0.4 -0.569 68.3 -80.9 119.4 176.8 13.7 7.5 -27.4 15 14 A E E +d 251 0B 111 235,-0.2 2,-0.3 -2,-0.2 237,-0.2 -0.982 46.0 162.4-122.7 134.3 11.0 9.5 -25.7 16 15 A I E -d 252 0B 14 235,-1.9 237,-2.6 -2,-0.4 2,-0.4 -0.940 30.5-136.0-145.5 165.0 8.6 11.9 -27.3 17 16 A C - 0 0 47 -2,-0.3 237,-0.1 235,-0.2 26,-0.1 -0.914 20.8-147.7-114.1 143.7 5.3 13.8 -26.8 18 17 A V - 0 0 4 235,-0.5 217,-0.1 -2,-0.4 27,-0.1 -0.845 30.1 -97.6-108.5 152.2 2.8 14.0 -29.6 19 18 A P - 0 0 0 0, 0.0 212,-2.7 0, 0.0 215,-0.2 -0.240 37.0-111.3 -66.3 160.6 0.6 17.0 -30.0 20 19 A G - 0 0 0 23,-2.9 210,-0.2 210,-0.3 2,-0.1 -0.080 45.2 -81.4 -74.7-177.8 -2.9 17.1 -28.7 21 20 A D > - 0 0 41 208,-0.4 4,-1.7 209,-0.1 24,-0.3 -0.324 40.0-100.1 -85.5 173.3 -5.9 17.2 -31.0 22 21 A K H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 114.2 53.6 -54.4 -51.3 -7.5 20.2 -32.8 23 22 A S H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 112.8 39.0 -59.5 -49.8 -10.4 20.8 -30.4 24 23 A I H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.861 114.6 57.0 -69.7 -34.9 -8.4 21.0 -27.2 25 24 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.922 107.4 47.4 -61.5 -46.0 -5.7 23.0 -29.0 26 25 A H H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.900 113.2 47.9 -58.6 -49.0 -8.2 25.6 -30.2 27 26 A R H X S+ 0 0 31 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.886 109.5 53.7 -63.6 -39.5 -9.8 26.1 -26.8 28 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 112.3 40.7 -63.3 -50.8 -6.4 26.3 -25.0 29 28 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.892 115.0 53.5 -68.0 -37.0 -5.0 29.2 -27.1 30 29 A L H X S+ 0 0 2 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.951 113.3 41.4 -62.5 -48.8 -8.3 31.0 -27.2 31 30 A L H >X S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.932 114.7 51.9 -66.9 -42.4 -8.7 31.0 -23.4 32 31 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.896 102.4 61.1 -59.0 -40.4 -5.0 31.8 -22.9 33 32 A A H 3< S+ 0 0 0 -4,-2.4 45,-2.3 1,-0.3 -1,-0.2 0.782 111.7 37.0 -59.9 -32.2 -5.2 34.8 -25.3 34 33 A I H << S+ 0 0 0 -4,-1.0 187,-0.4 -3,-0.7 -1,-0.3 0.351 97.4 101.6-102.9 5.4 -7.8 36.6 -23.1 35 34 A A S << S- 0 0 0 -3,-1.1 44,-2.2 -4,-0.5 2,-0.5 -0.260 78.8-110.4 -76.5 169.9 -6.4 35.6 -19.8 36 35 A E B S+h 222 0C 103 185,-1.9 187,-2.6 42,-0.2 2,-0.1 -0.946 82.4 17.9-103.2 127.1 -4.3 38.0 -17.7 37 36 A G S S- 0 0 30 -2,-0.5 40,-3.2 40,-0.5 2,-0.5 -0.433 100.5 -47.9 106.7-179.9 -0.6 37.0 -17.5 38 37 A Q E -I 76 0D 115 38,-0.2 2,-0.5 -2,-0.1 38,-0.2 -0.784 46.8-170.6 -98.9 127.8 1.6 34.7 -19.6 39 38 A T E -I 75 0D 0 36,-3.2 36,-3.6 -2,-0.5 2,-0.5 -0.968 9.8-155.5-118.8 129.9 0.6 31.2 -20.5 40 39 A Q E -I 74 0D 64 -2,-0.5 186,-2.4 34,-0.2 2,-0.6 -0.924 11.8-159.5-102.5 125.0 2.9 28.6 -22.0 41 40 A V E -Ij 73 226D 0 32,-2.5 32,-2.1 -2,-0.5 3,-0.4 -0.933 7.8-172.2-110.0 114.2 1.0 26.0 -24.0 42 41 A D E +Ij 72 227D 32 184,-2.6 186,-2.9 -2,-0.6 30,-0.2 -0.714 68.9 32.4-102.0 153.1 2.8 22.7 -24.7 43 42 A G S S+ 0 0 7 28,-0.8 -23,-2.9 27,-0.4 2,-0.5 0.662 76.2 162.5 76.9 16.7 1.4 20.0 -27.0 44 43 A F - 0 0 0 27,-2.0 2,-0.2 -3,-0.4 -1,-0.2 -0.591 42.0-123.8 -75.3 119.5 -0.3 22.6 -29.3 45 44 A L - 0 0 13 -2,-0.5 368,-0.1 -24,-0.3 -1,-0.1 -0.497 18.5-155.7 -63.2 127.6 -1.1 20.9 -32.6 46 45 A M + 0 0 6 -2,-0.2 367,-0.1 22,-0.1 -1,-0.1 0.133 45.6 127.8 -98.2 20.0 0.6 23.0 -35.4 47 46 A G S > S- 0 0 3 365,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.132 76.1 -94.3 -69.5 171.4 -1.7 22.1 -38.3 48 47 A A H > S+ 0 0 54 363,-2.6 4,-1.5 1,-0.2 5,-0.1 0.797 122.0 53.1 -59.3 -38.5 -3.4 24.6 -40.6 49 48 A D H > S+ 0 0 33 362,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.951 112.8 44.4 -63.4 -48.3 -6.7 24.7 -38.7 50 49 A N H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 113.5 49.0 -67.7 -36.8 -4.9 25.5 -35.4 51 50 A L H X S+ 0 0 41 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.795 105.7 58.8 -72.8 -24.8 -2.6 28.1 -36.9 52 51 A A H X S+ 0 0 15 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 106.7 48.3 -65.9 -42.9 -5.7 29.7 -38.6 53 52 A M H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.957 111.5 50.7 -57.9 -49.1 -7.1 30.1 -35.0 54 53 A V H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.930 110.5 47.0 -55.3 -50.9 -3.7 31.6 -33.9 55 54 A S H X S+ 0 0 52 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.842 110.9 54.3 -63.0 -32.9 -3.6 34.2 -36.8 56 55 A A H X S+ 0 0 2 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.924 108.9 46.5 -64.8 -47.1 -7.2 35.2 -36.1 57 56 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.5 0.907 112.6 51.4 -62.4 -39.8 -6.5 35.9 -32.4 58 57 A Q H ><5S+ 0 0 78 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.842 102.8 58.9 -65.1 -36.4 -3.4 37.9 -33.5 59 58 A Q H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.9 50.7 -62.5 -27.7 -5.5 39.9 -36.0 60 59 A M T <<5S- 0 0 0 -4,-1.0 24,-1.7 -3,-0.5 -1,-0.3 0.193 133.1 -91.0 -96.0 17.1 -7.5 40.9 -32.9 61 60 A G T < 5S+ 0 0 25 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.543 73.7 149.6 90.9 5.8 -4.4 42.0 -31.0 62 61 A A < - 0 0 11 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.3 -0.437 44.4-132.5 -69.4 148.9 -3.5 38.8 -29.1 63 62 A S E +K 76 0D 59 13,-0.8 13,-2.5 -30,-0.2 2,-0.5 -0.876 40.3 158.1-106.2 100.1 0.2 38.2 -28.3 64 63 A I E -K 75 0D 9 -2,-0.8 2,-0.5 11,-0.2 11,-0.2 -0.983 23.7-163.6-129.2 116.7 1.0 34.7 -29.4 65 64 A Q E -K 74 0D 134 9,-2.5 9,-2.0 -2,-0.5 2,-0.5 -0.893 15.7-150.3-101.6 126.4 4.6 33.5 -30.1 66 65 A V E -K 73 0D 40 -2,-0.5 2,-0.6 7,-0.2 7,-0.2 -0.860 20.6-174.6-107.8 128.1 4.7 30.3 -32.0 67 66 A I E > > -K 72 0D 70 5,-2.7 5,-1.9 -2,-0.5 3,-1.4 -0.821 16.3-176.7-116.7 83.3 7.5 27.7 -31.8 68 67 A E G > 5S+ 0 0 110 -2,-0.6 3,-1.5 1,-0.3 -1,-0.2 0.859 73.2 52.1 -53.4 -49.3 6.2 25.4 -34.5 69 68 A D G 3 5S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.571 114.6 43.7 -72.1 -7.7 8.8 22.6 -34.3 70 69 A E G < 5S- 0 0 113 -3,-1.4 -27,-0.4 2,-0.2 -1,-0.3 0.322 106.1-122.4-114.2 3.9 8.4 22.2 -30.5 71 70 A N T < 5 + 0 0 12 -3,-1.5 -27,-2.0 -4,-0.4 -28,-0.8 0.877 67.3 138.1 53.4 41.4 4.6 22.3 -30.5 72 71 A I E < -IK 42 67D 37 -5,-1.9 -5,-2.7 -30,-0.2 2,-0.3 -0.940 35.6-174.5-119.8 143.1 4.8 25.3 -28.1 73 72 A L E -IK 41 66D 0 -32,-2.1 -32,-2.5 -2,-0.4 2,-0.5 -0.955 10.6-157.7-124.7 148.1 3.0 28.6 -27.9 74 73 A V E -IK 40 65D 33 -9,-2.0 -9,-2.5 -2,-0.3 2,-0.5 -0.981 18.3-169.4-126.1 113.3 3.8 31.4 -25.4 75 74 A V E -IK 39 64D 0 -36,-3.6 -36,-3.2 -2,-0.5 2,-0.7 -0.912 17.5-160.2-110.8 127.5 0.8 33.6 -24.9 76 75 A E E -IK 38 63D 82 -13,-2.5 -13,-0.8 -2,-0.5 -38,-0.2 -0.929 33.4-127.0-102.6 109.6 0.8 37.0 -23.1 77 76 A G - 0 0 14 -40,-3.2 -40,-0.5 -2,-0.7 -43,-0.2 -0.211 15.0-157.0 -61.0 143.9 -2.8 37.5 -22.2 78 77 A V - 0 0 45 -45,-2.3 -42,-0.2 1,-0.3 -44,-0.2 0.322 46.4-111.8-101.6 8.4 -4.6 40.7 -23.2 79 78 A G > - 0 0 7 -44,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.030 41.7 -66.5 81.1 166.2 -7.3 40.4 -20.5 80 79 A M T 3 S+ 0 0 17 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.821 137.6 35.8 -60.1 -30.9 -11.0 39.8 -21.0 81 80 A T T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.224 89.3 98.4-108.9 15.5 -11.5 43.2 -22.8 82 81 A G < + 0 0 26 -3,-1.4 -1,-0.2 -48,-0.1 2,-0.1 0.457 55.0 104.3 -84.7 -2.6 -8.1 43.4 -24.7 83 82 A L - 0 0 13 -3,-0.3 2,-0.3 -4,-0.2 -22,-0.2 -0.486 51.8-163.6 -78.3 154.4 -9.4 42.2 -28.0 84 83 A Q - 0 0 103 -24,-1.7 -22,-0.1 -2,-0.1 27,-0.1 -0.939 32.4 -80.2-137.3 156.1 -9.9 44.6 -30.9 85 84 A A - 0 0 51 -2,-0.3 28,-0.1 1,-0.1 -24,-0.0 -0.282 48.6-123.9 -56.5 132.6 -11.8 44.6 -34.2 86 85 A P - 0 0 15 0, 0.0 -26,-0.1 0, 0.0 28,-0.1 -0.563 10.0-132.7 -77.9 148.3 -9.8 42.9 -36.9 87 86 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.771 86.2 27.2 -73.0 -25.0 -9.0 45.0 -40.0 88 87 A E S S- 0 0 148 1,-0.1 26,-0.2 -29,-0.1 -29,-0.0 -0.815 102.9 -71.7-130.1 168.3 -10.1 42.2 -42.3 89 88 A A - 0 0 51 -2,-0.3 2,-0.7 24,-0.1 26,-0.2 -0.345 54.5-115.8 -56.4 136.6 -12.4 39.1 -42.4 90 89 A L E -l 115 0E 2 24,-2.8 26,-2.7 -4,-0.1 2,-0.8 -0.754 24.8-144.3 -82.9 116.0 -10.9 36.4 -40.1 91 90 A D E -l 116 0E 94 -2,-0.7 26,-0.3 24,-0.2 -35,-0.1 -0.709 18.5-177.5 -85.4 109.2 -10.1 33.4 -42.3 92 91 A C > - 0 0 1 24,-3.4 3,-2.1 -2,-0.8 25,-0.2 0.304 24.1-152.0 -89.5 8.8 -10.8 30.2 -40.3 93 92 A G T 3 - 0 0 18 1,-0.3 25,-2.8 -41,-0.1 28,-0.3 -0.345 65.6 -25.8 61.4-125.8 -9.5 28.0 -43.1 94 93 A N T 3 S+ 0 0 66 23,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.260 103.7 124.2-102.9 11.8 -11.2 24.6 -43.0 95 94 A S <> + 0 0 2 -3,-2.1 4,-1.9 1,-0.2 5,-0.2 -0.648 31.6 174.6 -90.7 104.9 -12.0 24.8 -39.3 96 95 A G H > S+ 0 0 3 -2,-0.8 4,-2.3 2,-0.2 5,-0.2 0.894 88.0 54.1 -64.7 -40.2 -15.7 24.4 -38.2 97 96 A T H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.921 106.8 50.8 -62.0 -45.9 -14.5 24.4 -34.5 98 97 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.960 111.8 45.6 -56.3 -52.2 -12.6 27.7 -35.0 99 98 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.900 115.5 47.6 -64.8 -36.9 -15.5 29.5 -36.5 100 99 A R H X S+ 0 0 22 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.920 114.2 44.4 -71.5 -41.0 -18.0 28.2 -33.9 101 100 A L H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.920 114.2 50.4 -67.6 -42.4 -15.8 29.0 -30.9 102 101 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.863 104.4 58.3 -64.1 -35.3 -14.9 32.4 -32.3 103 102 A S H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.916 110.0 44.4 -59.9 -40.0 -18.6 33.1 -32.9 104 103 A G H X S+ 0 0 0 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.918 115.3 47.0 -69.1 -45.6 -19.2 32.6 -29.1 105 104 A L H < S+ 0 0 0 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.864 118.2 41.1 -61.8 -39.1 -16.2 34.6 -28.1 106 105 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 -5,-0.2 5,-0.3 0.591 90.6 82.6 -92.4 -13.0 -17.0 37.5 -30.4 107 106 A A H 3< S+ 0 0 1 -4,-1.2 47,-2.7 1,-0.2 32,-0.3 0.876 99.8 40.5 -59.2 -39.3 -20.8 37.8 -30.0 108 107 A G T 3< S+ 0 0 7 -4,-0.5 -1,-0.2 -3,-0.2 49,-0.2 0.303 90.7 112.1 -93.9 8.6 -20.4 39.9 -26.8 109 108 A Q S < S- 0 0 2 -3,-1.2 2,-0.1 2,-0.2 -28,-0.1 -0.487 75.7-121.1 -79.5 155.0 -17.5 42.0 -27.9 110 109 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.019 89.5 59.7 -85.2 31.0 -18.0 45.8 -28.4 111 110 A F S S- 0 0 24 -5,-0.3 42,-1.0 -2,-0.1 2,-0.3 -0.922 83.2-101.2-147.7 171.9 -16.9 45.5 -32.1 112 111 A N E - 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0 0 0 -4,-2.0 -23,-0.3 1,-0.1 4,-0.1 -0.248 68.8-128.1 -53.0 134.1 -27.9 -23.7 -17.4 834 400 B K S S+ 0 0 143 -25,-2.2 -24,-0.2 -23,-0.1 -1,-0.1 0.822 89.7 23.0 -50.2 -35.8 -30.8 -25.7 -18.8 835 401 B G S S- 0 0 14 1,-0.1 -23,-0.1 -395,-0.1 -2,-0.1 -0.662 102.6 -63.5-127.0-179.4 -31.5 -27.1 -15.4 836 402 B P - 0 0 76 0, 0.0 -24,-1.3 0, 0.0 2,-0.5 -0.310 45.0-150.0 -64.2 147.6 -30.9 -26.5 -11.7 837 403 B V E -Wy 439 812J 0 -398,-0.6 -398,-2.5 -26,-0.2 2,-0.5 -0.991 4.6-159.1-125.7 125.6 -27.4 -26.4 -10.5 838 404 B R E -Wy 438 813J 100 -26,-1.9 -24,-2.4 -2,-0.5 2,-0.5 -0.901 7.4-165.6-102.1 125.9 -26.3 -27.4 -7.0 839 405 B I E -Wy 437 814J 0 -402,-4.6 -402,-3.1 -2,-0.5 2,-0.3 -0.964 11.9-147.5-113.0 124.8 -23.0 -25.9 -5.8 840 406 B R E +Wy 436 815J 94 -26,-2.3 -24,-1.8 -2,-0.5 -22,-0.4 -0.724 66.2 20.1-102.6 146.8 -21.5 -27.6 -2.7 841 407 B N + 0 0 49 -406,-0.7 -23,-0.4 -2,-0.3 -405,-0.3 0.988 61.2 155.5 67.3 66.3 -19.3 -26.0 -0.0 842 408 B C >> + 0 0 5 -407,-2.3 4,-0.9 -3,-0.2 3,-0.6 -0.020 31.9 117.0-108.0 27.5 -20.1 -22.3 -0.4 843 409 B D H >> S+ 0 0 63 -408,-0.5 4,-1.1 1,-0.2 3,-0.8 0.935 70.2 58.5 -59.2 -48.9 -19.2 -21.4 3.2 844 410 B N H 3> S+ 0 0 53 1,-0.2 4,-1.7 -3,-0.2 5,-0.2 0.751 94.9 63.5 -53.7 -31.8 -16.4 -19.1 2.1 845 411 B V H <> S+ 0 0 0 -3,-0.6 4,-3.2 1,-0.2 3,-0.2 0.928 99.8 53.9 -62.3 -42.8 -18.7 -16.9 -0.0 846 412 B K H << S+ 0 0 157 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.900 112.7 43.3 -56.6 -43.2 -20.6 -15.8 3.1 847 413 B T H < S+ 0 0 67 -4,-1.1 -366,-2.7 2,-0.2 -365,-0.4 0.715 123.7 35.5 -77.3 -24.0 -17.3 -14.7 4.8 848 414 B S H < S+ 0 0 22 -4,-1.7 -368,-0.4 -3,-0.2 -2,-0.2 0.856 139.9 4.8 -93.0 -48.2 -15.9 -13.0 1.7 849 415 B F >< + 0 0 6 -4,-3.2 3,-2.1 -5,-0.2 4,-0.3 -0.551 67.2 171.1-143.1 68.6 -18.9 -11.4 0.0 850 416 B P T > S+ 0 0 42 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.756 77.4 56.4 -54.5 -32.0 -22.0 -12.0 2.3 851 417 B N T 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.415 78.5 98.1 -83.2 3.0 -24.3 -9.8 0.2 852 418 B F H <> S+ 0 0 0 -3,-2.1 4,-2.5 -7,-0.2 -1,-0.2 0.891 83.0 47.4 -55.5 -44.9 -23.7 -11.7 -3.0 853 419 B V H <> S+ 0 0 31 -3,-0.5 4,-2.8 -4,-0.3 5,-0.3 0.969 113.1 45.1 -65.5 -53.8 -26.9 -13.8 -2.7 854 420 B E H > S+ 0 0 71 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.878 116.0 48.8 -58.0 -40.3 -29.3 -10.9 -1.9 855 421 B L H X S+ 0 0 18 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.923 111.2 49.7 -64.5 -45.8 -27.7 -8.8 -4.7 856 422 B A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 3,-0.5 0.944 112.7 46.3 -57.6 -48.9 -28.0 -11.8 -7.1 857 423 B N H ><5S+ 0 0 74 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.886 105.0 62.1 -64.1 -35.3 -31.7 -12.3 -6.2 858 424 B E H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.4 44.3 -55.6 -40.2 -32.3 -8.6 -6.5 859 425 B V T 3<5S- 0 0 2 -4,-1.5 -413,-1.5 -3,-0.5 -1,-0.3 0.264 125.7 -94.8 -93.3 12.7 -31.4 -8.7 -10.2 860 426 B G T < 5S+ 0 0 26 -3,-1.7 2,-0.7 1,-0.3 -416,-0.4 0.712 82.2 134.4 84.0 20.3 -33.3 -11.9 -11.2 861 427 B M < - 0 0 0 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.935 52.5-138.6-103.7 112.9 -30.3 -14.3 -10.7 862 428 B N E +X 440 0J 58 -2,-0.7 -422,-0.9 -422,-0.5 2,-0.4 -0.648 40.0 146.7 -83.9 105.3 -31.7 -17.2 -8.7 863 429 B V E -X 439 0J 4 -2,-0.8 2,-0.4 -10,-0.2 -424,-0.2 -0.998 18.3-178.0-141.3 132.2 -29.4 -18.5 -5.9 864 430 B K E -X 438 0J 156 -426,-2.2 -426,-2.0 -2,-0.4 2,-0.6 -0.992 26.0-127.1-134.7 135.5 -30.4 -20.0 -2.6 865 431 B G E +X 437 0J 47 -2,-0.4 -428,-0.2 -428,-0.2 2,-0.2 -0.744 33.9 177.4 -84.2 117.3 -28.3 -21.1 0.3 866 432 B V E X 436 0J 60 -430,-3.0 -430,-1.7 -2,-0.6 -428,-0.0 -0.452 360.0 360.0-106.9-176.0 -29.2 -24.7 1.4 867 433 B R 0 0 228 -432,-0.2 -1,-0.2 -2,-0.2 -430,-0.0 0.656 360.0 360.0-119.6 360.0 -27.6 -26.9 4.1