==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 14-JAN-10 3LEC . COMPND 2 MOLECULE: NADB-ROSSMANN SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR A.J.STEIN,C.HATZOS,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 2 1 1 0 2 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 1 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 0 0 0 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 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 N > 0 0 169 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 -16.8 -34.2 -9.4 2 0 A A T 3 + 0 0 109 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.780 360.0 54.9 -55.0 -32.9 -20.2 -33.7 -11.0 3 1 A X T 3 S+ 0 0 91 2,-0.1 -1,-0.3 64,-0.1 2,-0.1 0.511 79.4 116.5 -82.7 -3.0 -20.5 -30.1 -9.7 4 2 A D < - 0 0 66 -3,-1.9 2,-0.3 36,-0.1 33,-0.1 -0.444 58.4-145.1 -61.5 133.4 -17.1 -29.1 -11.3 5 3 A L - 0 0 29 -2,-0.1 2,-0.6 28,-0.1 -2,-0.1 -0.791 6.3-139.7-106.2 150.3 -17.8 -26.4 -13.9 6 4 A Q - 0 0 196 -2,-0.3 2,-0.1 0, 0.0 6,-0.0 -0.948 24.4-139.9-106.6 119.1 -16.1 -25.9 -17.2 7 5 A L - 0 0 23 -2,-0.6 27,-0.0 1,-0.1 0, 0.0 -0.413 21.6-102.0 -75.0 153.0 -15.5 -22.2 -18.0 8 6 A S > - 0 0 49 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.257 41.4-105.0 -58.1 158.6 -15.9 -20.6 -21.4 9 7 A K H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 121.7 55.0 -54.2 -42.8 -12.5 -20.0 -23.1 10 8 A R H > S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.944 114.5 36.8 -57.9 -52.0 -12.8 -16.3 -22.3 11 9 A L H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.840 114.2 57.1 -73.0 -32.4 -13.2 -16.8 -18.6 12 10 A Q H X S+ 0 0 52 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.907 105.2 51.3 -61.4 -45.3 -10.8 -19.8 -18.5 13 11 A K H < S+ 0 0 70 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.818 110.7 48.8 -66.7 -29.1 -8.1 -17.6 -19.9 14 12 A V H >< S+ 0 0 0 -4,-1.2 3,-1.7 -5,-0.2 4,-0.4 0.943 110.3 51.2 -66.5 -51.6 -8.8 -15.0 -17.2 15 13 A A H >< S+ 0 0 6 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.851 99.8 64.9 -52.8 -37.2 -8.7 -17.8 -14.5 16 14 A N T 3< S+ 0 0 102 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.704 102.8 48.8 -61.4 -23.2 -5.3 -19.0 -15.8 17 15 A Y T < S+ 0 0 79 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.428 82.8 105.5 -96.7 -3.2 -3.8 -15.6 -14.8 18 16 A V S < S- 0 0 13 -3,-1.6 3,-0.1 -4,-0.4 74,-0.0 -0.688 79.0-116.0 -81.0 124.4 -5.2 -15.6 -11.2 19 17 A P > - 0 0 50 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.323 33.4 -96.4 -61.0 143.8 -2.3 -16.3 -8.8 20 18 A K T 3 S+ 0 0 150 1,-0.3 24,-0.2 24,-0.1 23,-0.1 -0.321 110.8 18.5 -54.9 136.4 -2.5 -19.5 -6.8 21 19 A G T 3 S+ 0 0 29 22,-2.1 -1,-0.3 1,-0.2 23,-0.2 0.502 91.5 160.3 79.7 4.3 -3.9 -18.8 -3.3 22 20 A A E < -a 44 0A 2 -3,-1.8 23,-2.3 21,-0.6 24,-1.2 -0.143 41.5-141.2 -58.0 151.9 -5.4 -15.5 -4.3 23 21 A R E -a 46 0A 64 22,-0.2 68,-2.2 21,-0.2 69,-1.8 -0.992 39.8-163.3-112.4 113.2 -8.2 -13.8 -2.4 24 22 A L E -ab 47 92A 0 22,-2.6 24,-2.1 -2,-0.6 2,-0.5 -0.806 30.4-159.7-116.5 138.2 -10.2 -12.4 -5.3 25 23 A L E -ab 48 93A 0 67,-2.5 69,-2.8 -2,-0.3 2,-0.7 -0.989 11.8-162.5-108.4 125.2 -12.9 -9.9 -6.0 26 24 A D E > -ab 49 94A 6 22,-3.0 24,-2.7 -2,-0.5 3,-1.0 -0.918 15.5-146.3-104.6 107.8 -14.8 -10.5 -9.3 27 25 A V E 3 S-ab 50 95A 7 67,-2.7 69,-0.6 -2,-0.7 24,-0.1 -0.661 80.9 -2.2 -84.0 121.7 -16.5 -7.2 -10.1 28 26 A G T 3 S- 0 0 30 22,-2.0 -1,-0.3 -2,-0.5 23,-0.2 0.899 95.8-149.5 63.2 44.3 -19.9 -7.8 -11.8 29 27 A S < - 0 0 5 21,-1.1 2,-1.5 -3,-1.0 -1,-0.1 -0.093 14.0-118.5 -49.8 132.2 -19.2 -11.5 -11.7 30 28 A D S > S- 0 0 61 1,-0.2 3,-2.4 -3,-0.1 4,-0.3 -0.651 84.5 -45.6 -76.3 91.2 -20.8 -13.4 -14.5 31 29 A H T 3 S- 0 0 79 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.642 96.0 -80.9 59.5 17.8 -23.1 -15.7 -12.4 32 30 A A T 3> S+ 0 0 0 18,-0.1 4,-2.5 31,-0.1 -1,-0.3 0.649 94.4 137.5 59.5 19.9 -20.1 -16.3 -10.1 33 31 A Y H <> + 0 0 88 -3,-2.4 4,-2.8 2,-0.2 5,-0.2 0.946 67.3 47.5 -57.5 -51.5 -18.8 -18.9 -12.5 34 32 A L H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.948 113.2 46.6 -60.2 -51.4 -15.2 -17.7 -12.3 35 33 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.924 113.1 51.5 -57.8 -38.5 -15.1 -17.6 -8.5 36 34 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.921 109.9 49.1 -62.7 -43.6 -16.8 -21.0 -8.3 37 35 A F H X S+ 0 0 17 -4,-2.8 4,-1.6 -5,-0.2 6,-0.3 0.958 114.0 45.2 -57.0 -49.5 -14.2 -22.5 -10.7 38 36 A L H <>S+ 0 0 3 -4,-2.4 5,-1.6 1,-0.2 6,-1.2 0.861 118.1 42.5 -68.8 -39.1 -11.3 -21.1 -8.7 39 37 A L H ><5S+ 0 0 6 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.860 110.6 54.0 -75.5 -38.6 -12.7 -22.2 -5.3 40 38 A Q H 3<5S+ 0 0 42 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.828 112.1 46.1 -65.9 -27.9 -13.9 -25.6 -6.3 41 39 A X T 3<5S- 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.466 111.2-122.1 -91.2 -2.0 -10.4 -26.4 -7.6 42 40 A G T < 5S+ 0 0 54 -3,-1.0 -3,-0.2 -5,-0.1 -21,-0.2 0.603 75.1 129.1 68.5 14.6 -8.8 -25.0 -4.5 43 41 A Y < + 0 0 84 -5,-1.6 -22,-2.1 -6,-0.3 -21,-0.6 0.643 69.4 36.5 -76.2 -19.5 -6.8 -22.6 -6.7 44 42 A C E S-a 22 0A 4 -6,-1.2 -21,-0.2 -23,-0.2 3,-0.1 -0.928 70.1-141.8-126.9 162.5 -7.8 -19.6 -4.7 45 43 A D E S- 0 0 104 -23,-2.3 2,-0.3 1,-0.3 -22,-0.2 0.768 79.6 -7.9 -90.5 -29.8 -8.3 -19.1 -1.0 46 44 A F E -a 23 0A 21 -24,-1.2 -22,-2.6 2,-0.0 -1,-0.3 -0.970 60.4-167.9-167.5 147.2 -11.4 -16.8 -1.0 47 45 A A E -ac 24 73A 0 25,-1.8 27,-2.6 -2,-0.3 2,-0.4 -0.994 12.4-152.1-146.4 154.6 -13.5 -14.8 -3.4 48 46 A I E -ac 25 74A 0 -24,-2.1 -22,-3.0 -2,-0.3 2,-0.7 -0.994 11.3-152.0-120.6 131.7 -16.2 -12.1 -3.5 49 47 A A E -ac 26 75A 0 25,-3.3 27,-2.4 -2,-0.4 2,-0.5 -0.931 18.9-156.1-101.4 110.6 -18.7 -12.0 -6.3 50 48 A G E -ac 27 76A 3 -24,-2.7 -22,-2.0 -2,-0.7 -21,-1.1 -0.773 14.1-178.7 -95.5 125.9 -19.7 -8.3 -6.6 51 49 A E E - c 0 77A 8 25,-3.1 27,-2.4 -2,-0.5 3,-0.1 -0.934 21.9-156.9-128.0 151.6 -23.0 -7.6 -8.2 52 50 A V S S+ 0 0 94 -2,-0.3 2,-0.3 25,-0.2 -1,-0.1 0.697 74.3 30.1-103.5 -26.2 -24.6 -4.2 -8.8 53 51 A V S > S- 0 0 85 25,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.897 84.9-101.4-135.6 166.8 -28.4 -5.1 -9.0 54 52 A N H > S+ 0 0 90 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.842 108.4 56.2 -61.1 -45.7 -30.7 -7.7 -7.5 55 53 A G H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.960 113.5 38.4 -49.2 -63.8 -31.1 -10.2 -10.4 56 54 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.839 115.3 56.5 -58.8 -36.7 -27.4 -11.0 -10.9 57 55 A Y H X S+ 0 0 54 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.943 109.5 44.2 -59.4 -48.6 -26.9 -10.8 -7.1 58 56 A Q H X S+ 0 0 90 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.894 112.8 52.9 -64.5 -40.3 -29.6 -13.5 -6.6 59 57 A S H X S+ 0 0 42 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.937 111.4 44.5 -56.5 -53.9 -28.2 -15.6 -9.5 60 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.924 112.7 52.6 -60.8 -44.8 -24.7 -15.6 -8.1 61 59 A L H X S+ 0 0 64 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.935 111.6 45.6 -54.9 -50.4 -26.0 -16.3 -4.5 62 60 A K H X S+ 0 0 56 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 113.6 49.6 -61.3 -43.8 -28.0 -19.3 -5.8 63 61 A N H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 110.3 48.8 -64.8 -45.3 -25.0 -20.7 -7.8 64 62 A V H <>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 6,-0.3 0.918 113.9 48.4 -58.9 -41.5 -22.5 -20.4 -5.0 65 63 A S H ><5S+ 0 0 71 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.933 110.3 49.1 -65.6 -48.1 -25.0 -22.1 -2.7 66 64 A E H 3<5S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.0 52.6 -60.6 -36.1 -25.7 -25.0 -5.1 67 65 A H T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.480 114.7-120.2 -82.7 -1.7 -22.0 -25.5 -5.6 68 66 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 -4,-0.3 3,-0.1 0.873 78.5 118.9 69.6 40.6 -21.6 -25.8 -1.9 69 67 A L >>< + 0 0 14 -5,-2.6 4,-1.8 -6,-0.1 3,-1.4 0.157 21.5 118.3-123.7 17.2 -19.2 -22.8 -1.6 70 68 A T T 34 S+ 0 0 82 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.790 78.1 54.3 -58.0 -30.6 -21.0 -20.3 0.7 71 69 A S T 34 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.708 117.8 35.5 -73.0 -23.0 -18.2 -20.5 3.2 72 70 A K T <4 S+ 0 0 111 -3,-1.4 -25,-1.8 1,-0.2 2,-0.4 0.556 114.6 54.4-110.7 -10.8 -15.5 -19.6 0.6 73 71 A I E < -c 47 0A 3 -4,-1.8 2,-0.3 -27,-0.2 -25,-0.2 -0.955 62.6-158.9-133.5 116.3 -17.4 -17.2 -1.6 74 72 A D E -c 48 0A 56 -27,-2.6 -25,-3.3 -2,-0.4 2,-0.5 -0.715 6.7-156.6 -88.6 138.6 -19.1 -14.0 -0.5 75 73 A V E -c 49 0A 16 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.978 18.5-176.2-117.9 125.6 -21.7 -12.5 -2.8 76 74 A R E -c 50 0A 60 -27,-2.4 -25,-3.1 -2,-0.5 2,-0.8 -0.963 29.0-141.9-130.3 143.1 -22.3 -8.8 -2.3 77 75 A L E +c 51 0A 95 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.880 54.6 127.1-101.9 102.4 -24.6 -6.2 -3.7 78 76 A A - 0 0 23 -27,-2.4 2,-0.6 -2,-0.8 5,-0.2 -0.994 65.5 -93.5-159.4 148.9 -22.5 -3.1 -4.0 79 77 A N S > S- 0 0 66 -2,-0.3 3,-2.2 3,-0.1 4,-0.1 -0.540 75.8 -65.6 -71.2 111.9 -21.3 -0.5 -6.4 80 78 A G G > S+ 0 0 19 -2,-0.6 3,-1.7 1,-0.3 -52,-0.1 -0.102 122.1 5.4 47.4-125.2 -18.1 -1.5 -8.1 81 79 A L G > S+ 0 0 0 25,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.492 110.7 85.0 -74.8 -2.9 -15.1 -1.8 -5.8 82 80 A S G < + 0 0 67 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.569 68.6 87.6 -66.3 -10.9 -17.3 -1.0 -2.7 83 81 A A G < S+ 0 0 1 -3,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.532 90.1 49.8 -69.0 -6.4 -17.9 -4.8 -2.8 84 82 A F < - 0 0 13 -3,-1.2 2,-0.3 -59,-0.1 -59,-0.0 -0.931 63.6-164.5-133.5 165.2 -14.8 -5.3 -0.7 85 83 A E > - 0 0 127 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.885 41.1 -98.8-134.9 164.3 -13.2 -4.0 2.5 86 84 A E G > S+ 0 0 190 -2,-0.3 3,-2.0 1,-0.2 4,-0.1 0.890 119.3 61.7 -47.3 -45.7 -9.8 -4.0 4.2 87 85 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.652 92.9 66.3 -60.5 -17.0 -10.9 -6.9 6.4 88 86 A D G < S- 0 0 17 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.696 92.0-146.9 -79.4 -21.0 -11.4 -9.0 3.3 89 87 A N < - 0 0 109 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.1 0.906 25.2-176.4 53.6 48.3 -7.6 -9.0 2.5 90 88 A I + 0 0 7 -5,-0.4 -66,-0.2 1,-0.1 -1,-0.2 -0.609 20.1 171.5 -76.9 132.8 -8.2 -9.0 -1.3 91 89 A D + 0 0 45 -68,-2.2 28,-2.0 -2,-0.3 27,-1.5 0.480 64.1 48.0-115.5 -11.9 -5.0 -9.2 -3.4 92 90 A T E -bd 24 119A 0 -69,-1.8 -67,-2.5 26,-0.2 2,-0.4 -0.996 57.3-170.1-137.7 138.5 -6.6 -9.8 -6.8 93 91 A I E -bd 25 120A 0 26,-2.2 28,-2.3 -2,-0.4 2,-0.4 -0.978 4.0-166.8-125.8 131.8 -9.4 -8.1 -8.8 94 92 A T E +bd 26 121A 0 -69,-2.8 -67,-2.7 -2,-0.4 2,-0.4 -0.961 6.2 179.6-113.8 138.6 -11.0 -9.4 -12.0 95 93 A I E +bd 27 122A 0 26,-1.8 28,-2.6 -2,-0.4 2,-0.3 -0.934 17.4 164.9-136.5 116.1 -13.3 -7.2 -14.2 96 94 A C E + d 0 123A 15 -69,-0.6 3,-0.1 -2,-0.4 60,-0.0 -0.849 44.1 30.9-129.6 162.0 -14.6 -8.9 -17.3 97 95 A G E S+ 0 0 34 26,-1.0 2,-0.3 -2,-0.3 -1,-0.1 0.766 89.2 101.5 66.3 29.4 -17.3 -8.5 -20.0 98 96 A X E S- d 0 124A 39 25,-0.9 27,-2.0 -3,-0.1 28,-0.3 -0.955 78.2 -87.6-136.1 161.3 -17.5 -4.7 -20.0 99 97 A G > - 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0 0 2 -3,-1.8 44,-0.2 1,-0.1 -26,-0.2 -0.746 46.5-170.7 -88.4 126.6 -4.4 -4.9 -4.5 118 116 A K + 0 0 43 -27,-1.5 43,-0.5 -2,-0.5 2,-0.4 0.806 64.3 25.5 -85.5 -35.9 -1.4 -6.8 -6.1 119 117 A T E -dE 92 160A 9 -28,-2.0 -26,-2.2 41,-0.2 2,-0.4 -0.995 55.0-170.1-135.9 137.0 -2.9 -8.1 -9.4 120 118 A L E -dE 93 159A 1 39,-2.7 39,-3.1 -2,-0.4 2,-0.5 -0.988 5.1-164.8-121.5 138.0 -5.8 -7.2 -11.7 121 119 A V E -dE 94 158A 0 -28,-2.3 -26,-1.8 -2,-0.4 2,-0.4 -0.995 18.1-174.6-117.6 120.1 -7.0 -9.3 -14.6 122 120 A L E -dE 95 157A 0 35,-2.6 35,-3.2 -2,-0.5 -26,-0.2 -0.953 17.6-171.2-125.8 127.5 -9.1 -7.2 -16.9 123 121 A Q E -d 96 0A 0 -28,-2.6 -26,-1.0 -2,-0.4 -25,-0.9 -0.833 13.9-171.3-121.1 89.6 -11.1 -8.5 -19.9 124 122 A P E -d 98 0A 1 0, 0.0 31,-0.7 0, 0.0 -25,-0.3 -0.585 19.0-150.5 -76.6 146.1 -12.4 -5.4 -21.8 125 123 A N S S- 0 0 42 -27,-2.0 2,-0.3 -2,-0.2 -26,-0.2 0.660 75.2 -20.7 -85.0 -19.5 -14.9 -6.1 -24.7 126 124 A N S S+ 0 0 65 -28,-0.3 -26,-2.2 1,-0.1 -1,-0.2 -0.928 111.4 58.5-170.6 179.4 -13.8 -3.0 -26.6 127 125 A R >> + 0 0 152 -2,-0.3 4,-1.3 -28,-0.2 3,-0.5 0.834 56.2 160.1 46.8 42.0 -12.1 0.4 -26.2 128 126 A E H 3> + 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.821 66.9 60.9 -61.5 -34.2 -9.0 -1.5 -25.0 129 127 A D H 3> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 100.6 53.0 -64.1 -38.0 -6.9 1.6 -25.8 130 128 A D H <> S+ 0 0 59 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.856 110.1 48.2 -64.0 -36.4 -8.9 3.8 -23.4 131 129 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.929 110.6 50.7 -69.4 -46.6 -8.3 1.2 -20.6 132 130 A R H X S+ 0 0 0 -4,-2.6 4,-2.7 39,-0.2 -2,-0.2 0.897 108.8 53.2 -55.3 -39.9 -4.5 1.1 -21.5 133 131 A K H X S+ 0 0 110 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.903 110.1 46.7 -64.4 -39.6 -4.4 4.9 -21.3 134 132 A W H X S+ 0 0 31 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.907 111.9 50.3 -68.7 -43.1 -6.0 5.0 -17.9 135 133 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 3,-1.0 0.942 111.4 48.6 -59.2 -48.9 -3.6 2.2 -16.6 136 134 A A H ><5S+ 0 0 28 -4,-2.7 3,-0.7 1,-0.2 28,-0.4 0.838 111.1 50.4 -59.4 -37.7 -0.5 4.1 -17.9 137 135 A A H 3<5S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.626 110.4 50.7 -77.3 -15.3 -1.6 7.4 -16.4 138 136 A N T <<5S- 0 0 50 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.021 117.4 -95.7-120.4 28.3 -2.3 5.9 -12.9 139 137 A D T < 5S+ 0 0 92 -3,-0.7 23,-2.4 1,-0.3 2,-0.3 0.843 80.3 132.8 64.5 34.5 0.9 4.0 -12.1 140 138 A F E < -F 161 0A 6 -5,-2.1 24,-0.4 21,-0.3 2,-0.4 -0.875 39.9-154.5-107.8 152.2 -0.4 0.6 -13.3 141 139 A E E -F 160 0A 81 19,-3.0 19,-2.5 -2,-0.3 2,-0.5 -0.991 13.6-133.7-130.3 130.7 1.7 -1.7 -15.5 142 140 A I E +F 159 0A 5 -2,-0.4 17,-0.3 17,-0.2 3,-0.1 -0.736 25.5 174.3 -78.9 126.6 0.6 -4.4 -17.9 143 141 A V E + 0 0 56 15,-2.7 2,-0.3 -2,-0.5 16,-0.2 0.524 65.5 8.9-113.6 -13.3 2.7 -7.5 -17.4 144 142 A A E -F 158 0A 23 14,-1.1 14,-3.2 2,-0.0 -1,-0.4 -0.949 60.0-168.8-158.9 151.7 1.0 -9.9 -19.7 145 143 A E E -F 157 0A 16 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.989 2.3-171.7-136.8 152.0 -1.7 -9.9 -22.4 146 144 A D E -F 156 0A 40 10,-2.1 10,-2.8 -2,-0.3 2,-0.4 -0.980 8.7-160.5-136.9 149.8 -3.7 -12.5 -24.3 147 145 A I E +F 155 0A 9 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.998 21.3 176.8-128.3 133.3 -6.0 -12.4 -27.3 148 146 A L E -F 154 0A 6 6,-2.4 6,-2.7 -2,-0.4 2,-0.3 -0.875 22.9-128.4-134.1 161.8 -8.4 -15.3 -27.8 149 147 A T E F 153 0A 51 -2,-0.3 4,-0.2 4,-0.2 -140,-0.1 -0.906 360.0 360.0-119.0 144.6 -11.2 -16.4 -30.2 150 148 A E 0 0 96 2,-2.4 -2,-0.1 -2,-0.3 -142,-0.0 -0.621 360.0 360.0-178.8 360.0 -14.7 -17.6 -29.2 151 ! 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 0.0 152 151 A K 0 0 127 0, 0.0 -2,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.9 -15.5 -12.8 -31.4 153 152 A R E - 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0 0 13 -2,-0.6 2,-0.5 -24,-0.4 -25,-0.2 -0.949 21.4-161.8-129.6 135.2 4.6 2.3 -17.4 165 164 A N - 0 0 132 -2,-0.4 2,-0.4 -28,-0.0 -28,-0.0 -0.981 17.0-170.2-113.0 131.2 5.0 4.5 -20.5 166 165 A L - 0 0 32 -2,-0.5 2,-0.1 -33,-0.1 -2,-0.0 -0.974 17.4-130.7-122.6 141.3 3.3 3.3 -23.6 167 166 A T > - 0 0 78 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.362 36.8-103.2 -73.3 161.3 3.5 4.6 -27.2 168 167 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 126.3 50.7 -51.3 -42.5 0.3 5.4 -29.2 169 168 A K H > S+ 0 0 74 1,-0.2 4,-3.2 2,-0.2 5,-0.5 0.918 110.5 47.3 -62.4 -46.2 0.9 2.0 -31.0 170 169 A E H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 110.8 52.9 -64.8 -36.5 1.3 0.1 -27.7 171 170 A L H < S+ 0 0 29 -4,-2.9 -39,-0.2 1,-0.2 -1,-0.2 0.934 117.8 36.8 -62.4 -43.8 -1.8 1.8 -26.3 172 171 A R H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.885 132.0 24.6 -80.5 -39.5 -3.9 0.8 -29.4 173 172 A F H < S- 0 0 0 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.723 110.0-105.8-101.8 -25.7 -2.4 -2.7 -30.1 174 173 A G X - 0 0 0 -4,-1.7 4,-2.7 -5,-0.5 5,-0.2 0.389 14.4-116.8 101.0 125.3 -1.0 -3.8 -26.7 175 174 A P H > S+ 0 0 21 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.905 117.1 34.7 -59.0 -42.7 2.6 -4.0 -25.8 176 175 A F H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.830 116.0 53.9 -82.2 -34.5 2.5 -7.8 -25.3 177 176 A L H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.886 109.5 50.3 -65.9 -37.8 -0.0 -8.5 -28.1 178 177 A L H < S+ 0 0 46 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.912 114.0 44.3 -61.3 -43.6 2.3 -6.6 -30.5 179 178 A S H < S+ 0 0 101 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.871 114.1 46.9 -74.3 -40.1 5.3 -8.6 -29.5 180 179 A N H < S- 0 0 122 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.904 84.4-171.9 -69.1 -39.5 3.6 -12.0 -29.5 181 180 A N < - 0 0 71 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.901 14.8-176.8 50.4 54.5 2.1 -11.2 -32.9 182 181 A T > - 0 0 44 -5,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.299 41.1-106.5 -79.4 164.5 -0.1 -14.3 -33.0 183 182 A T H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.888 121.5 53.3 -51.8 -44.7 -2.4 -15.4 -35.9 184 183 A V H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 108.4 50.4 -60.9 -43.4 -5.5 -14.3 -33.8 185 184 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 111.3 47.3 -58.7 -50.0 -3.9 -10.8 -33.4 186 185 A K H X S+ 0 0 64 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 112.3 50.6 -58.7 -44.4 -3.2 -10.5 -37.1 187 186 A E H X S+ 0 0 81 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.900 108.5 52.6 -63.8 -39.8 -6.8 -11.6 -37.9 188 187 A K H X S+ 0 0 17 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.952 115.1 40.0 -60.6 -48.9 -8.3 -9.1 -35.5 189 188 A W H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.849 110.8 57.0 -74.2 -30.8 -6.4 -6.2 -37.0 190 189 A Q H X S+ 0 0 86 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.948 109.7 48.5 -58.1 -44.2 -6.9 -7.5 -40.6 191 190 A N H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.886 109.3 50.5 -64.1 -41.5 -10.7 -7.4 -39.8 192 191 A E H X S+ 0 0 54 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.924 108.2 54.3 -62.7 -43.5 -10.5 -3.8 -38.4 193 192 A L H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.930 107.5 50.1 -52.6 -48.6 -8.7 -2.7 -41.5 194 193 A N H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.951 113.2 45.4 -55.8 -52.3 -11.5 -4.1 -43.6 195 194 A K H X S+ 0 0 104 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.895 112.8 49.4 -58.4 -45.9 -14.2 -2.3 -41.6 196 195 A L H X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.854 109.2 53.4 -64.4 -32.8 -12.2 1.0 -41.5 197 196 A T H X S+ 0 0 57 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.906 110.5 45.5 -71.4 -40.2 -11.8 0.7 -45.3 198 197 A F H X S+ 0 0 168 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.908 114.6 51.2 -59.3 -45.2 -15.5 0.3 -45.8 199 198 A A H X S+ 0 0 32 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.900 109.9 47.3 -58.5 -45.7 -16.0 3.2 -43.4 200 199 A L H >< S+ 0 0 16 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.881 112.5 48.4 -70.9 -38.0 -13.6 5.6 -45.1 201 200 A N H 3< S+ 0 0 121 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.582 107.4 58.4 -76.6 -12.3 -15.1 4.9 -48.6 202 201 A S H 3< S+ 0 0 88 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.614 93.6 80.3 -89.7 -12.7 -18.6 5.4 -47.2 203 202 A I S << S- 0 0 50 -3,-0.7 2,-0.0 -4,-0.6 -4,-0.0 -0.748 85.4-110.4-103.0 137.3 -17.9 9.0 -46.0 204 203 A P > - 0 0 80 0, 0.0 3,-1.6 0, 0.0 7,-0.2 -0.344 22.6-121.7 -63.0 147.6 -17.9 12.1 -48.2 205 204 A N T 3 S+ 0 0 129 1,-0.3 6,-0.1 6,-0.0 -2,-0.0 0.736 109.3 68.1 -58.3 -26.2 -14.5 13.9 -49.0 206 205 A S T 3 S+ 0 0 103 1,-0.2 2,-2.2 2,-0.1 -1,-0.3 0.781 80.8 77.9 -63.7 -28.9 -16.0 17.1 -47.5 207 206 A K <> + 0 0 36 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 -0.429 61.6 163.9 -84.3 65.9 -16.0 15.5 -44.0 208 207 A X H > + 0 0 153 -2,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.815 66.2 49.4 -58.6 -38.9 -12.2 16.0 -43.7 209 208 A E H > S+ 0 0 141 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 111.0 47.1 -71.2 -44.5 -12.0 15.4 -39.9 210 209 A E H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.913 115.3 48.2 -62.7 -40.1 -13.9 12.2 -39.8 211 210 A R H X S+ 0 0 39 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.889 108.0 54.1 -65.9 -42.5 -11.9 10.9 -42.7 212 211 A A H X S+ 0 0 52 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.917 105.8 53.0 -58.8 -43.3 -8.6 12.0 -41.1 213 212 A I H X S+ 0 0 70 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.912 113.1 44.9 -57.4 -43.4 -9.4 10.0 -37.9 214 213 A L H X S+ 0 0 19 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.912 110.8 52.0 -69.3 -44.9 -10.0 7.0 -40.2 215 214 A E H X S+ 0 0 98 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.878 107.8 53.6 -57.3 -39.4 -6.9 7.5 -42.2 216 215 A D H X S+ 0 0 106 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.8 44.2 -62.5 -42.7 -4.9 7.7 -38.9 217 216 A K H X S+ 0 0 104 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.913 112.0 53.2 -67.9 -42.9 -6.2 4.3 -37.8 218 217 A I H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.922 109.5 47.5 -59.7 -46.8 -5.7 2.7 -41.2 219 218 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.929 109.8 52.9 -63.4 -44.5 -2.1 3.7 -41.4 220 219 A D H X S+ 0 0 39 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.930 112.7 45.3 -53.5 -47.1 -1.4 2.5 -37.8 221 220 A I H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.948 109.3 54.4 -64.8 -46.9 -2.8 -0.9 -38.7 222 221 A K H X S+ 0 0 97 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.880 109.7 49.7 -53.5 -40.1 -1.0 -1.0 -42.0 223 222 A E H < S+ 0 0 82 -4,-2.5 -1,-0.2 2,-0.2 3,-0.2 0.938 112.0 45.7 -65.4 -46.9 2.3 -0.5 -40.1 224 223 A V H < S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.3 46.8 -61.1 -46.7 1.6 -3.2 -37.5 225 224 A L H < 0 0 45 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.696 360.0 360.0 -72.0 -19.4 0.5 -5.7 -40.2 226 225 A D < 0 0 167 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.882 360.0 360.0 -96.6 360.0 3.5 -4.8 -42.3