==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-SEP-09 3JPZ . COMPND 2 MOLECULE: LOMBRICINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: URECHIS CAUPO; . AUTHOR D.J.BUSH,O.KIRILLOVA,S.A.CLARK,F.FABIOLA,T.SOMASUNDARAM,M.S. . 726 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 4 0 4 0 1 3 2 0 0 0 1 1 0 0 1 1 0 0 2 0 0 0 0 0 0 0 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 . 8 2 0 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 1 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 3 A F 0 0 102 0, 0.0 2,-0.5 0, 0.0 499,-0.0 0.000 360.0 360.0 360.0 123.4 24.3 4.2 -6.1 2 4 A Q - 0 0 146 497,-0.1 2,-1.5 2,-0.1 5,-0.2 -0.982 360.0-151.1-115.0 124.8 24.6 5.8 -2.7 3 5 A N + 0 0 66 -2,-0.5 2,-0.1 4,-0.1 497,-0.1 -0.395 55.6 129.4 -88.8 59.4 24.1 3.6 0.3 4 6 A D S > S- 0 0 54 -2,-1.5 4,-1.4 495,-0.1 5,-0.1 -0.281 78.2 -78.1-110.4-174.1 22.8 6.5 2.3 5 7 A A H > S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.874 127.2 52.7 -56.9 -38.9 19.8 7.4 4.5 6 8 A K H >4 S+ 0 0 164 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.933 110.5 46.0 -62.7 -47.5 17.6 7.9 1.4 7 9 A A H 34 S+ 0 0 22 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.756 120.3 42.1 -64.1 -24.1 18.4 4.6 -0.1 8 10 A N H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.497 75.1 126.5-108.9 -7.1 17.8 2.9 3.2 9 11 A F << - 0 0 53 -4,-1.2 16,-0.1 -3,-0.5 15,-0.0 -0.330 62.5-118.1 -62.5 125.9 14.7 4.4 4.7 10 12 A P - 0 0 1 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.252 16.8-122.9 -58.5 152.1 12.2 1.8 5.7 11 13 A D - 0 0 82 1,-0.1 552,-0.1 549,-0.1 9,-0.0 -0.891 28.6-177.7 -96.0 105.1 8.8 1.8 4.0 12 14 A Y > + 0 0 31 -2,-0.8 3,-2.0 8,-0.1 5,-0.1 0.259 32.6 135.4 -92.3 12.9 6.5 2.0 7.0 13 15 A A T 3 S+ 0 0 46 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.422 80.2 8.3 -59.5 129.8 3.4 1.8 4.8 14 16 A N T 3 S+ 0 0 145 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.685 99.2 132.5 71.2 18.8 1.0 -0.6 6.4 15 17 A H < - 0 0 22 -3,-2.0 -1,-0.2 1,-0.1 39,-0.2 -0.913 41.0-169.5-104.2 124.7 3.1 -0.9 9.5 16 18 A G + 0 0 26 37,-2.2 40,-0.4 -2,-0.5 2,-0.1 0.198 46.2 131.1 -92.8 15.8 1.4 -0.5 12.9 17 19 A C > - 0 0 1 32,-0.2 4,-0.6 35,-0.2 3,-0.3 -0.434 61.7-135.7 -72.7 141.4 4.8 -0.3 14.6 18 20 A V H >> S+ 0 0 12 38,-2.8 3,-1.4 1,-0.2 4,-0.6 0.895 104.1 59.7 -58.3 -41.0 5.4 2.5 17.1 19 21 A V H >> S+ 0 0 0 38,-2.2 4,-2.7 1,-0.3 3,-1.4 0.891 99.1 57.5 -58.4 -40.2 8.9 3.1 15.6 20 22 A G H 34 S+ 0 0 22 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.659 101.6 54.9 -67.7 -19.1 7.3 3.9 12.3 21 23 A R H << S+ 0 0 132 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.573 120.4 30.9 -88.9 -10.6 5.2 6.7 13.7 22 24 A H H << S+ 0 0 55 -3,-1.4 2,-1.4 -4,-0.6 -2,-0.2 0.608 100.7 80.2-116.8 -22.8 8.2 8.5 15.2 23 25 A L < + 0 0 2 -4,-2.7 -1,-0.1 -5,-0.2 2,-0.1 -0.613 59.8 170.7 -94.1 77.4 11.0 7.6 12.8 24 26 A N > - 0 0 80 -2,-1.4 4,-2.5 -3,-0.1 3,-0.4 -0.399 52.0 -95.0 -79.1 166.2 10.5 10.1 10.0 25 27 A F H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.767 122.8 56.8 -55.5 -29.5 13.1 10.4 7.3 26 28 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 109.3 42.4 -72.9 -49.0 14.8 13.3 9.0 27 29 A M H > S+ 0 0 15 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.941 114.5 53.9 -57.2 -48.0 15.4 11.5 12.3 28 30 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 108.4 49.2 -53.2 -43.5 16.5 8.5 10.2 29 31 A Q H < S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.1 50.6 -66.5 -41.1 19.0 10.7 8.4 30 32 A R H < S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 117.4 39.6 -61.0 -40.4 20.3 12.1 11.6 31 33 A L H >< S+ 0 0 5 -4,-2.3 3,-1.8 -5,-0.1 11,-0.5 0.667 91.9 101.8 -88.4 -19.3 20.8 8.7 13.1 32 34 A F T 3< S+ 0 0 53 -4,-1.9 3,-0.1 -5,-0.3 -27,-0.1 -0.490 88.0 23.3 -68.6 128.9 22.0 7.0 9.9 33 35 A G T 3 S+ 0 0 76 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.296 96.3 120.6 94.8 -10.3 25.8 6.7 10.0 34 36 A K < - 0 0 88 -3,-1.8 8,-0.5 35,-0.0 -1,-0.4 -0.589 38.9-178.7 -82.1 150.5 25.9 6.8 13.8 35 37 A K B -A 41 0A 141 -2,-0.2 6,-0.2 6,-0.1 -3,-0.0 -0.989 22.8-129.8-149.9 141.0 27.3 3.8 15.7 36 38 A T > - 0 0 6 4,-1.9 3,-1.2 -2,-0.3 30,-0.0 -0.191 45.1 -93.7 -74.0 179.8 27.7 2.9 19.3 37 39 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.709 130.8 51.8 -69.8 -19.6 31.1 1.7 20.6 38 40 A H T 3 S- 0 0 74 2,-0.1 -1,-0.3 87,-0.0 88,-0.0 0.343 123.2-106.8 -98.8 5.9 29.8 -1.8 20.0 39 41 A G < + 0 0 35 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.559 62.6 157.9 86.2 8.3 28.8 -1.0 16.4 40 42 A V - 0 0 2 4,-0.1 -4,-1.9 3,-0.1 -1,-0.3 -0.475 22.8-163.8 -61.8 135.5 25.1 -1.0 17.0 41 43 A T B > -A 35 0A 52 -6,-0.2 4,-2.0 -2,-0.2 3,-0.2 -0.780 34.8-106.2-120.9 165.0 23.5 1.1 14.3 42 44 A V H > S+ 0 0 2 -8,-0.5 4,-1.8 -11,-0.5 5,-0.2 0.912 121.5 57.1 -55.1 -42.0 20.1 2.7 13.8 43 45 A D H > S+ 0 0 29 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.893 105.9 50.1 -57.6 -43.7 19.3 -0.0 11.3 44 46 A K H >4 S+ 0 0 49 -3,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.918 111.3 46.4 -58.1 -48.8 20.0 -2.7 13.9 45 47 A V H 3< S+ 0 0 0 -4,-2.0 15,-2.3 1,-0.2 -1,-0.2 0.762 119.6 40.2 -74.2 -20.0 17.7 -1.1 16.6 46 48 A I H >X S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.2 4,-0.9 0.483 83.6 102.2-104.2 -3.1 14.8 -0.6 14.2 47 49 A Q H XX S+ 0 0 19 -4,-0.9 4,-1.9 -3,-0.5 3,-1.6 0.890 79.8 52.6 -47.8 -51.3 15.1 -3.8 12.2 48 50 A P H 3> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.854 102.7 60.5 -54.4 -36.0 12.1 -5.5 14.1 49 51 A S H <4 S+ 0 0 0 9,-1.7 -32,-0.2 -3,-0.9 -2,-0.2 0.743 108.9 43.2 -65.2 -24.1 10.0 -2.4 13.3 50 52 A V H << S+ 0 0 6 -3,-1.6 -1,-0.2 -4,-0.9 -3,-0.1 0.901 113.3 47.8 -87.4 -45.5 10.5 -3.1 9.6 51 53 A D H < S+ 0 0 12 -4,-1.9 2,-0.5 7,-0.1 -2,-0.2 0.850 104.9 65.2 -64.0 -39.4 10.0 -6.9 9.4 52 54 A N < - 0 0 38 -4,-2.1 -35,-0.2 -5,-0.2 4,-0.1 -0.777 59.4-172.6 -94.7 125.3 6.8 -6.9 11.5 53 55 A F + 0 0 79 -2,-0.5 -37,-2.2 -38,-0.1 -36,-0.1 0.616 59.7 78.8 -91.6 -14.0 3.8 -5.2 9.9 54 56 A G S S- 0 0 33 -39,-0.2 2,-0.9 1,-0.1 -2,-0.1 -0.080 99.3 -53.4 -90.7-173.3 1.6 -5.4 13.0 55 57 A N S S+ 0 0 151 -38,-0.1 2,-0.3 -40,-0.1 -38,-0.2 -0.462 83.9 121.1 -63.1 96.9 1.0 -3.6 16.3 56 58 A C - 0 0 26 -2,-0.9 -38,-2.8 -40,-0.4 -37,-0.2 -0.904 68.7-119.9-147.1 173.9 4.5 -3.7 17.9 57 59 A I - 0 0 24 -2,-0.3 -38,-2.2 -40,-0.2 -37,-0.2 0.930 34.5-166.4 -79.6 -58.7 7.1 -1.3 19.2 58 60 A G + 0 0 4 1,-0.3 -9,-1.7 -40,-0.1 2,-0.4 0.451 46.3 112.3 89.5 1.3 9.8 -2.5 16.8 59 61 A L + 0 0 1 -11,-0.2 2,-0.3 -10,-0.1 -1,-0.3 -0.909 36.6 168.1-111.3 134.6 12.7 -0.9 18.6 60 62 A I - 0 0 4 -15,-2.3 2,-0.3 -2,-0.4 208,-0.2 -0.997 31.3-122.6-147.8 138.4 15.4 -2.8 20.4 61 63 A A - 0 0 0 206,-2.5 69,-0.2 -2,-0.3 3,-0.1 -0.630 7.7-163.4 -79.7 132.5 18.8 -1.9 21.9 62 64 A G S S- 0 0 0 -2,-0.3 65,-1.0 1,-0.2 68,-0.5 0.715 80.4 -11.2 -77.2 -24.5 21.8 -3.7 20.6 63 65 A D S > S- 0 0 0 63,-0.2 3,-1.3 204,-0.1 4,-0.4 -0.961 80.3 -86.8-164.7 175.1 23.6 -2.4 23.7 64 66 A E T > S+ 0 0 28 1,-0.3 3,-1.3 -2,-0.3 4,-0.4 0.885 122.8 59.3 -61.5 -36.9 23.4 -0.0 26.6 65 67 A E T >> S+ 0 0 50 1,-0.3 4,-2.6 2,-0.2 3,-1.2 0.701 84.9 81.7 -67.2 -20.3 24.8 2.7 24.5 66 68 A S H <> S+ 0 0 0 -3,-1.3 4,-1.9 1,-0.3 -1,-0.3 0.863 84.1 59.8 -52.4 -39.2 21.9 2.4 22.1 67 69 A Y H <4 S+ 0 0 10 -3,-1.3 -1,-0.3 -4,-0.4 8,-0.2 0.796 114.9 33.2 -65.5 -27.5 19.7 4.5 24.4 68 70 A E H X4 S+ 0 0 129 -3,-1.2 3,-1.8 -4,-0.4 4,-0.2 0.893 117.4 49.3 -94.8 -45.8 22.0 7.5 24.1 69 71 A V H 3< S+ 0 0 24 -4,-2.6 3,-0.2 1,-0.3 -3,-0.2 0.893 129.5 26.5 -62.3 -39.3 23.4 7.2 20.5 70 72 A F T >X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.4 3,-1.2 -0.178 88.0 138.5-109.9 37.3 19.9 6.8 19.2 71 73 A K H <> + 0 0 82 -3,-1.8 4,-3.1 1,-0.3 5,-0.2 0.841 64.5 55.1 -49.6 -44.2 18.5 8.7 22.2 72 74 A E H 3> S+ 0 0 69 -4,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.765 111.5 44.8 -70.7 -23.2 16.0 10.7 20.2 73 75 A L H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.891 116.1 44.0 -83.8 -46.1 14.4 7.5 18.8 74 76 A F H X S+ 0 0 0 -4,-2.3 4,-3.2 -8,-0.2 5,-0.2 0.914 112.4 54.5 -63.0 -39.7 14.3 5.6 22.0 75 77 A D H X S+ 0 0 17 -4,-3.1 4,-1.7 -5,-0.3 -1,-0.2 0.907 109.4 46.1 -65.1 -39.6 13.0 8.6 23.8 76 78 A A H X S+ 0 0 23 -4,-1.0 4,-1.0 -5,-0.2 -1,-0.2 0.916 116.3 45.1 -67.9 -41.2 10.1 9.1 21.4 77 79 A V H >X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.8 0.945 111.6 52.0 -68.8 -47.8 9.2 5.4 21.5 78 80 A I H 3X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.851 105.9 56.6 -52.6 -39.9 9.5 5.2 25.3 79 81 A N H 3<>S+ 0 0 69 -4,-1.7 5,-2.4 -5,-0.2 -1,-0.2 0.784 113.1 39.3 -69.9 -27.9 7.2 8.1 25.7 80 82 A E H X<5S+ 0 0 71 -4,-1.0 3,-1.7 -3,-0.8 -2,-0.2 0.916 116.3 48.7 -82.6 -49.6 4.5 6.4 23.7 81 83 A K H 3<5S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.862 116.9 42.2 -59.7 -38.3 4.9 2.9 25.1 82 84 A H T 3<5S- 0 0 17 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.118 109.9-121.6-102.7 21.2 5.0 4.1 28.7 83 85 A K T < 5S+ 0 0 173 -3,-1.7 -3,-0.2 2,-0.1 -4,-0.1 0.872 88.5 5.4 44.1 62.6 2.1 6.6 28.2 84 86 A G S - 0 0 13 -2,-0.1 3,-1.3 -7,-0.1 -10,-0.0 -0.134 45.9 -82.9 -85.3-175.3 9.5 12.3 28.2 87 89 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.0 0, 0.0 -11,-0.0 0.799 128.5 46.1 -60.2 -34.3 13.2 13.1 28.0 88 90 A N T 3 S+ 0 0 161 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.444 92.8 100.2 -92.1 -1.9 13.2 15.1 31.3 89 91 A D < - 0 0 75 -3,-1.3 2,-0.4 173,-0.0 -4,-0.1 -0.509 58.5-158.2 -79.1 154.8 11.2 12.4 33.1 90 92 A S - 0 0 67 -2,-0.2 171,-0.2 172,-0.1 172,-0.2 -0.996 17.7-119.7-142.0 142.4 13.0 10.1 35.4 91 93 A Q - 0 0 10 170,-1.8 172,-0.2 -2,-0.4 239,-0.1 -0.584 41.8-107.4 -74.8 134.9 12.5 6.6 36.9 92 94 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.269 46.3 -86.8 -58.7 151.4 12.5 6.6 40.7 93 95 A A - 0 0 71 1,-0.1 2,-0.1 237,-0.1 167,-0.0 -0.171 61.5 -83.2 -52.1 154.5 15.5 5.1 42.4 94 96 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.406 43.7-166.1 -64.5 138.3 15.2 1.3 42.8 95 97 A D + 0 0 18 -3,-0.1 237,-1.4 -2,-0.1 238,-0.1 -0.862 23.9 157.5-129.3 97.4 13.3 0.2 45.9 96 98 A L + 0 0 28 -2,-0.4 2,-1.2 235,-0.2 143,-0.2 -0.094 31.4 132.0-103.3 31.9 13.7 -3.5 46.7 97 99 A D > + 0 0 68 1,-0.2 3,-1.7 142,-0.1 4,-0.1 -0.692 30.4 179.3 -96.2 91.1 12.7 -3.0 50.3 98 100 A A G > S+ 0 0 7 -2,-1.2 3,-2.5 1,-0.3 -1,-0.2 0.827 77.5 67.8 -56.3 -37.8 10.1 -5.6 51.2 99 101 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.730 90.6 65.4 -57.7 -21.2 9.8 -4.4 54.8 100 102 A K G < S+ 0 0 95 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.520 82.9 109.7 -77.3 -4.8 8.2 -1.3 53.3 101 103 A L < - 0 0 12 -3,-2.5 2,-0.5 -4,-0.1 3,-0.1 -0.398 58.5-147.2 -80.0 150.2 5.2 -3.3 52.0 102 104 A V S S- 0 0 104 1,-0.1 -2,-0.1 -2,-0.1 -1,-0.0 -0.969 75.2 -11.1-119.7 118.8 1.7 -3.2 53.5 103 105 A G S S+ 0 0 56 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 0.761 72.8 161.9 71.7 29.9 -0.5 -6.2 53.6 104 106 A G + 0 0 4 -6,-0.1 128,-2.4 126,-0.1 127,-0.6 0.095 48.7 85.4 -75.6 26.2 1.7 -8.4 51.3 105 107 A Q B -B 230 0B 135 -2,-0.5 125,-0.3 125,-0.2 2,-0.1 -0.925 66.1-158.4-128.0 108.8 0.1 -11.7 52.5 106 108 A F - 0 0 9 123,-2.8 2,-0.5 -2,-0.5 123,-0.4 -0.429 32.4 -93.7 -84.3 157.9 -3.0 -12.6 50.6 107 109 A D >> - 0 0 51 1,-0.1 4,-2.6 -2,-0.1 3,-1.6 -0.583 35.5-147.5 -64.0 118.1 -5.8 -14.9 51.6 108 110 A E T 34 S+ 0 0 102 -2,-0.5 -1,-0.1 1,-0.3 120,-0.1 0.504 90.6 76.2 -82.0 -0.3 -4.6 -18.2 50.1 109 111 A K T 34 S+ 0 0 132 1,-0.1 -1,-0.3 173,-0.0 3,-0.1 0.736 116.2 22.1 -68.2 -23.6 -8.2 -19.4 49.5 110 112 A Y T <4 S+ 0 0 20 -3,-1.6 173,-2.6 1,-0.2 2,-0.7 0.807 117.7 61.2-109.9 -53.8 -8.0 -16.9 46.6 111 113 A V E < +C 282 0C 0 -4,-2.6 171,-0.3 171,-0.2 -1,-0.2 -0.708 55.4 178.9 -85.2 116.8 -4.3 -16.3 45.8 112 114 A K E - 0 0 82 169,-2.7 116,-2.6 -2,-0.7 2,-0.3 0.724 63.1 -13.5 -89.5 -27.1 -2.7 -19.6 44.7 113 115 A S E -CD 281 227C 31 168,-1.0 168,-2.3 114,-0.3 2,-0.3 -0.980 54.6-149.3-167.2 166.4 0.8 -18.3 44.0 114 116 A C E +CD 280 226C 2 112,-2.4 112,-2.2 -2,-0.3 2,-0.3 -0.994 12.9 173.7-143.5 141.8 2.9 -15.2 43.5 115 117 A R E -CD 279 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S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.864 107.0 52.0 -64.9 -37.1 5.6 0.4 44.7 334 336 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 108.9 50.2 -67.8 -40.3 4.6 -1.9 41.9 335 337 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.863 111.6 49.7 -60.5 -37.8 4.4 -4.8 44.3 336 338 A Q H X S+ 0 0 23 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.875 108.1 52.7 -69.7 -37.4 2.2 -2.5 46.5 337 339 A L H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.864 111.8 46.5 -64.3 -37.6 0.0 -1.6 43.5 338 340 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.925 111.6 51.1 -68.9 -47.1 -0.4 -5.4 42.9 339 341 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.952 114.3 43.9 -52.4 -51.2 -1.1 -6.0 46.6 340 342 A D H X S+ 0 0 70 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.903 116.3 46.1 -65.4 -42.6 -3.8 -3.2 46.6 341 343 A G H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 114.6 46.6 -66.9 -41.8 -5.3 -4.2 43.4 342 344 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.888 109.6 53.7 -71.8 -39.3 -5.5 -7.9 44.3 343 345 A K H X S+ 0 0 104 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.894 110.0 49.1 -59.1 -40.6 -6.9 -7.2 47.7 344 346 A K H X S+ 0 0 93 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.909 107.5 53.7 -66.2 -43.4 -9.7 -5.2 46.0 345 347 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.929 111.7 46.2 -54.4 -46.5 -10.4 -8.0 43.6 346 348 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.896 107.8 55.9 -64.5 -42.6 -10.8 -10.3 46.6 347 349 A D H X S+ 0 0 52 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.901 112.1 44.0 -54.7 -41.7 -13.0 -7.8 48.4 348 350 A M H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.886 110.9 54.2 -73.2 -38.2 -15.3 -7.8 45.4 349 351 A E H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.953 111.5 44.6 -59.1 -48.5 -15.1 -11.6 45.1 350 352 A Q H X S+ 0 0 73 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.902 110.0 55.6 -65.8 -42.0 -16.2 -12.0 48.7 351 353 A A H <>S+ 0 0 14 -4,-2.1 5,-2.7 -5,-0.2 -1,-0.2 0.906 111.7 43.6 -52.5 -47.0 -18.9 -9.4 48.3 352 354 A L H ><5S+ 0 0 33 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.821 107.2 59.3 -70.9 -34.6 -20.4 -11.3 45.4 353 355 A E H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.7 49.1 -60.6 -31.7 -20.0 -14.6 47.2 354 356 A A T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.449 123.4-109.4 -87.4 -2.3 -22.2 -13.1 49.9 355 357 A G T < 5S+ 0 0 69 -3,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.763 72.6 139.1 81.2 28.5 -24.7 -12.0 47.2 356 358 A K < - 0 0 145 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.579 57.8-102.8-105.2 163.3 -23.9 -8.3 47.5 357 359 A S - 0 0 69 -2,-0.2 3,-0.3 1,-0.1 -1,-0.0 -0.672 18.3-161.6 -81.7 137.4 -23.5 -5.5 45.0 358 360 A I >> + 0 0 1 -2,-0.3 4,-2.3 1,-0.2 3,-1.5 0.183 60.9 112.5-100.0 14.2 -19.9 -4.4 44.4 359 361 A D T 34 S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.825 79.2 47.1 -56.0 -32.7 -21.0 -1.1 43.0 360 362 A D T 34 S+ 0 0 134 -3,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.545 113.7 48.4 -88.5 -6.8 -19.4 0.7 45.9 361 363 A L T <4 S+ 0 0 66 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.707 84.3 103.4 -99.7 -28.4 -16.2 -1.3 45.6 362 364 A I S < S- 0 0 27 -4,-2.3 2,-0.2 1,-0.1 -66,-0.0 -0.322 90.2-101.9 -54.8 130.0 -15.7 -0.8 41.9 363 365 A P 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.421 360.0 360.0 -55.5 122.3 -13.0 1.8 41.3 364 366 A A 0 0 172 -2,-0.2 -4,-0.0 -4,-0.1 -5,-0.0 -0.160 360.0 360.0 -62.0 360.0 -15.1 4.9 40.4 365 !* 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 0.0 366 3 B F 0 0 93 0, 0.0 2,-0.5 0, 0.0 -231,-0.0 0.000 360.0 360.0 360.0 136.6 37.1 -10.4 29.1 367 4 B Q - 0 0 139 -233,-0.1 2,-1.4 2,-0.0 5,-0.2 -0.950 360.0-148.5-113.8 126.2 38.5 -10.5 25.5 368 5 B N + 0 0 63 -2,-0.5 2,-0.1 4,-0.1 -233,-0.1 -0.331 58.7 133.5 -82.2 50.3 36.1 -10.6 22.5 369 6 B D S > S- 0 0 67 -2,-1.4 4,-1.1 -235,-0.1 3,-0.2 -0.252 75.5 -85.1 -95.5-174.4 38.8 -12.7 20.7 370 7 B A H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.843 124.9 54.5 -61.3 -38.6 38.7 -15.8 18.6 371 8 B K H 4 S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.898 110.4 46.2 -63.2 -41.5 38.9 -18.1 21.6 372 9 B A H 4 S+ 0 0 22 1,-0.2 -235,-0.2 -5,-0.2 -1,-0.2 0.691 122.1 37.3 -74.8 -18.9 35.9 -16.5 23.2 373 10 B N H < S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.473 78.7 125.5-114.2 -8.6 33.9 -16.6 20.0 374 11 B F < - 0 0 56 -4,-1.6 16,-0.1 -3,-0.2 15,-0.0 -0.364 66.2-110.6 -60.2 127.6 34.9 -19.9 18.4 375 12 B P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.142 13.0-128.6 -59.6 151.5 31.7 -21.8 17.7 376 13 B D + 0 0 82 1,-0.1 -178,-0.1 -181,-0.1 9,-0.0 -0.886 29.6 175.9 -96.8 99.5 30.7 -25.0 19.5 377 14 B Y > + 0 0 30 -2,-0.8 3,-1.9 8,-0.1 2,-0.2 0.132 26.9 139.4 -93.9 19.4 30.0 -27.3 16.6 378 15 B A T 3 S+ 0 0 47 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.467 78.7 9.7 -62.7 132.1 29.3 -30.3 18.9 379 16 B N T 3 S+ 0 0 150 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.717 101.8 132.0 68.3 20.8 26.3 -32.2 17.5 380 17 B H < - 0 0 29 -3,-1.9 -1,-0.3 1,-0.1 39,-0.2 -0.908 41.1-171.2-106.4 132.3 26.5 -30.1 14.3 381 18 B G + 0 0 12 37,-1.7 40,-0.2 38,-0.6 38,-0.1 0.409 43.1 131.1 -98.2 -0.2 26.4 -31.8 10.9 382 19 B C > - 0 0 1 35,-0.3 4,-0.8 32,-0.3 3,-0.3 -0.211 64.2-130.2 -57.0 140.6 27.2 -28.6 9.0 383 20 B V H >> S+ 0 0 12 38,-2.4 3,-0.8 1,-0.2 4,-0.6 0.860 104.8 64.1 -56.4 -36.3 30.0 -28.9 6.4 384 21 B V H >> S+ 0 0 0 38,-2.0 4,-3.5 1,-0.3 3,-1.8 0.899 94.8 54.4 -59.0 -48.8 31.6 -25.8 8.0 385 22 B G H 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.749 101.6 61.3 -60.1 -25.0 32.3 -27.3 11.4 386 23 B R H << S+ 0 0 142 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.725 121.7 21.5 -73.0 -20.6 34.2 -30.1 9.6 387 24 B H H << S+ 0 0 52 -3,-1.8 2,-2.0 -4,-0.6 -2,-0.2 0.675 102.3 83.6-118.4 -29.2 36.6 -27.6 8.2 388 25 B L < + 0 0 1 -4,-3.5 -1,-0.1 -5,-0.2 50,-0.0 -0.487 60.3 171.0 -84.3 72.0 36.5 -24.5 10.4 389 26 B N > - 0 0 79 -2,-2.0 4,-2.0 -3,-0.1 5,-0.1 -0.150 49.9 -96.7 -71.1 177.1 38.8 -25.5 13.1 390 27 B F H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 122.8 55.9 -65.9 -40.6 40.0 -23.0 15.8 391 28 B E H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 110.9 45.0 -58.4 -40.7 43.2 -22.2 14.0 392 29 B M H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 111.2 53.2 -70.9 -39.7 41.3 -21.3 10.9 393 30 B Y H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.864 107.7 51.4 -65.8 -34.0 38.8 -19.3 12.9 394 31 B Q H < S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.937 108.7 50.5 -67.2 -44.1 41.6 -17.3 14.5 395 32 B R H < S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.786 118.2 38.9 -64.4 -29.5 43.1 -16.4 11.1 396 33 B L H >< S+ 0 0 4 -4,-1.5 3,-1.7 -5,-0.1 11,-0.4 0.665 91.3 107.2 -95.3 -20.5 39.8 -15.2 9.8 397 34 B F T 3< S+ 0 0 56 -4,-1.8 3,-0.1 1,-0.3 -27,-0.1 -0.379 87.0 15.6 -61.5 129.4 38.6 -13.6 13.0 398 35 B G T 3 S+ 0 0 71 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.235 98.0 115.0 91.8 -15.4 38.7 -9.8 12.8 399 36 B K < + 0 0 95 -3,-1.7 8,-0.5 35,-0.1 -1,-0.4 -0.564 41.7 178.8 -76.2 150.2 39.0 -9.7 9.0 400 37 B K B -O 406 0G 138 -2,-0.2 6,-0.2 6,-0.2 -3,-0.0 -0.985 25.4-113.5-148.3 160.9 36.1 -8.2 7.1 401 38 B T > - 0 0 9 4,-2.2 3,-1.7 -2,-0.3 30,-0.0 -0.147 45.3 -91.0 -78.5-179.5 35.3 -7.6 3.5 402 39 B A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.629 130.3 52.3 -69.0 -11.8 34.9 -4.2 1.9 403 40 B H T 3 S- 0 0 67 2,-0.1 -1,-0.3 87,-0.0 88,-0.0 0.287 124.3-101.3-106.6 8.5 31.3 -4.4 2.8 404 41 B G < + 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.581 68.3 155.6 83.4 10.9 31.9 -5.2 6.5 405 42 B V - 0 0 3 4,-0.1 -4,-2.2 3,-0.0 -1,-0.3 -0.595 22.2-166.7 -75.9 131.7 31.2 -8.9 6.0 406 43 B T B > -O 400 0G 49 -2,-0.3 4,-1.9 -6,-0.2 5,-0.2 -0.561 35.3-107.4-114.3 172.2 32.9 -11.0 8.7 407 44 B V H > S+ 0 0 2 -8,-0.5 4,-1.6 -11,-0.4 5,-0.1 0.866 120.0 55.6 -67.2 -38.9 33.7 -14.7 9.3 408 45 B D H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 107.0 52.2 -59.1 -42.8 31.0 -14.9 12.0 409 46 B K H >4 S+ 0 0 45 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.959 110.4 44.1 -58.8 -55.1 28.5 -13.6 9.4 410 47 B V H 3< S+ 0 0 0 -4,-1.9 15,-2.5 1,-0.2 -1,-0.2 0.756 119.1 44.2 -66.1 -22.7 29.3 -16.2 6.7 411 48 B I H >X S+ 0 0 0 -4,-1.6 3,-1.3 13,-0.2 4,-1.0 0.538 83.3 101.3 -97.0 -8.3 29.3 -19.0 9.2 412 49 B Q H XX S+ 0 0 16 -4,-1.1 4,-2.4 -3,-0.9 3,-1.4 0.871 78.4 52.3 -46.5 -50.9 26.2 -18.0 11.2 413 50 B P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.845 104.2 58.5 -61.3 -28.6 23.9 -20.5 9.6 414 51 B S H <4 S+ 0 0 0 9,-1.6 -32,-0.3 -3,-1.3 -2,-0.2 0.786 110.9 42.4 -66.3 -29.2 26.3 -23.3 10.4 415 52 B V H << S+ 0 0 5 -3,-1.4 -1,-0.2 -4,-1.0 -3,-0.1 0.898 115.4 46.8 -85.5 -44.7 26.1 -22.5 14.1 416 53 B D H < S+ 0 0 12 -4,-2.4 2,-0.5 7,-0.1 -2,-0.2 0.907 108.0 62.1 -62.3 -45.1 22.3 -21.9 14.3 417 54 B N < - 0 0 39 -4,-2.3 -35,-0.3 -5,-0.3 4,-0.1 -0.754 56.0-176.2 -93.2 126.1 21.5 -25.1 12.4 418 55 B F + 0 0 83 -2,-0.5 -37,-1.7 -38,-0.1 -1,-0.1 0.600 59.0 90.9 -92.1 -14.7 22.5 -28.4 13.9 419 56 B G S S- 0 0 32 -39,-0.2 2,-0.8 1,-0.1 -38,-0.6 0.101 96.1 -69.7 -72.5-174.4 21.3 -30.5 10.9 420 57 B N S S+ 0 0 151 -39,-0.1 2,-0.3 -40,-0.1 -38,-0.2 -0.740 81.7 117.7 -83.5 112.4 23.1 -31.6 7.8 421 58 B C S S- 0 0 38 -2,-0.8 -38,-2.4 -40,-0.2 -37,-0.2 -0.922 72.9-106.2-160.2 172.5 23.7 -28.5 5.7 422 59 B I - 0 0 19 -2,-0.3 -38,-2.0 -40,-0.2 -1,-0.2 0.969 37.8-164.7 -75.2 -60.0 26.6 -26.5 4.4 423 60 B G + 0 0 4 1,-0.3 -9,-1.6 -40,-0.2 2,-0.5 0.471 48.9 111.6 92.1 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