==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COBALAMIN BIOSYNTHESIS 12-MAR-98 1CBU . COMPND 2 MOLECULE: ADENOSYLCOBINAMIDE KINASE/ADENOSYLCOBINAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR T.B.THOMPSON,M.G.THOMAS,J.C.ESCALANTE-SEMERENA,I.RAYMENT . 539 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.8 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 . 3 0.6 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 . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 36.0 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+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 0 0 0 3 1 0 1 2 1 0 0 1 0 0 5 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 0 9 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 29 0, 0.0 165,-2.9 0, 0.0 166,-0.8 0.000 360.0 360.0 360.0 171.1 13.2 38.3 71.3 2 2 A I E -ab 130 167A 18 127,-3.2 129,-3.0 163,-0.2 2,-0.4 -0.957 360.0-146.7-123.3 140.6 16.0 37.5 68.9 3 3 A L E -ab 131 168A 0 164,-2.2 166,-2.5 -2,-0.4 2,-0.4 -0.900 8.7-167.9-114.9 139.1 19.3 35.8 69.6 4 4 A V E +ab 132 169A 0 127,-3.1 129,-2.5 -2,-0.4 2,-0.3 -0.989 16.8 160.5-126.6 128.2 22.7 36.3 67.9 5 5 A T E + b 0 170A 0 164,-1.6 166,-2.4 -2,-0.4 2,-0.3 -0.895 10.0 116.7-141.1 169.5 25.6 34.2 68.3 6 6 A G E - b 0 171A 0 127,-0.4 129,-2.1 -2,-0.3 166,-0.1 -0.932 57.7 -52.2 158.7-165.9 28.9 33.2 66.8 7 7 A G S > S- 0 0 1 164,-0.7 3,-0.7 -2,-0.3 2,-0.4 0.160 70.2 -58.9 -82.2-161.7 32.6 33.4 67.8 8 8 A A T 3 S+ 0 0 9 491,-1.2 -1,-0.2 1,-0.3 490,-0.1 -0.713 122.3 0.4 -82.6 127.2 35.0 36.0 68.9 9 9 A R T 3 S+ 0 0 88 -2,-0.4 -1,-0.3 1,-0.1 512,-0.2 0.959 88.9 139.0 55.4 52.4 35.3 38.9 66.4 10 10 A S S < S- 0 0 7 -3,-0.7 164,-2.3 163,-0.1 -2,-0.1 0.466 77.0-103.2-103.0 -9.0 32.8 37.2 64.1 11 11 A G S > S+ 0 0 10 162,-0.2 4,-1.5 -4,-0.1 5,-0.2 0.747 74.3 143.3 89.4 27.2 30.9 40.3 63.2 12 12 A K H > + 0 0 14 -5,-0.2 4,-1.6 1,-0.2 5,-0.0 0.794 65.9 49.8 -69.9 -33.3 28.0 39.5 65.5 13 13 A S H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.846 107.1 55.1 -75.4 -33.4 27.3 43.1 66.7 14 14 A R H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.942 111.1 44.2 -62.8 -44.6 27.2 44.5 63.2 15 15 A H H < S+ 0 0 30 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.905 110.3 56.8 -64.1 -40.7 24.6 41.9 62.2 16 16 A A H >X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 3,-0.6 0.879 109.3 46.4 -57.4 -37.7 22.9 42.7 65.4 17 17 A E H >X S+ 0 0 42 -4,-2.3 4,-1.2 1,-0.2 3,-0.6 0.839 107.8 53.7 -74.0 -36.3 22.8 46.3 64.3 18 18 A A H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.457 102.1 63.9 -77.6 0.4 21.6 45.6 60.9 19 19 A L H <4 S+ 0 0 37 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.734 101.3 45.9 -93.4 -27.9 18.8 43.6 62.5 20 20 A I H X< S+ 0 0 6 -4,-0.6 3,-0.6 -3,-0.6 2,-0.3 0.763 86.9 170.5 -81.8 -29.6 17.1 46.6 64.3 21 21 A G T 3< - 0 0 45 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 -0.419 62.5 -1.0 61.2-114.1 17.5 48.5 61.1 22 22 A D T 3 S+ 0 0 154 -2,-0.3 -1,-0.2 -3,-0.1 -4,-0.1 -0.165 79.2 153.4-101.9 35.2 15.6 51.8 61.2 23 23 A A < - 0 0 13 -3,-0.6 52,-0.1 1,-0.1 53,-0.1 -0.531 42.3-137.9 -69.9 121.4 14.1 51.7 64.8 24 24 A P S S+ 0 0 71 0, 0.0 29,-3.0 0, 0.0 2,-0.5 0.871 85.8 32.1 -42.8 -57.8 13.6 55.3 65.9 25 25 A Q E S-c 53 0A 96 49,-0.2 51,-1.8 27,-0.2 2,-0.4 -0.940 73.6-174.2-113.3 127.9 14.8 54.9 69.4 26 26 A V E -cd 54 76A 3 27,-3.0 29,-2.0 -2,-0.5 2,-0.5 -0.973 11.5-161.5-128.9 137.4 17.5 52.4 70.4 27 27 A L E -cd 55 77A 14 49,-1.2 51,-2.5 -2,-0.4 2,-0.6 -0.949 5.9-159.3-118.3 117.8 18.9 51.3 73.6 28 28 A Y E -cd 56 78A 4 27,-3.1 29,-1.1 -2,-0.5 2,-0.7 -0.842 4.2-161.3 -96.1 121.5 22.2 49.6 73.9 29 29 A I E -cd 57 79A 0 49,-1.3 51,-2.2 -2,-0.6 2,-0.4 -0.902 8.1-162.3-106.9 105.1 22.8 47.6 77.1 30 30 A A E -cd 58 80A 0 27,-2.4 29,-2.1 -2,-0.7 51,-0.2 -0.708 14.0-157.2 -86.4 131.2 26.5 47.0 77.6 31 31 A T S S+ 0 0 0 49,-1.8 2,-0.3 -2,-0.4 50,-0.2 0.391 80.2 32.9 -88.8 7.5 27.3 44.2 80.0 32 32 A S S > S- 0 0 14 48,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.980 82.7-113.2-155.0 160.7 30.7 45.8 80.5 33 33 A Q H > S+ 0 0 123 -2,-0.3 4,-4.2 1,-0.2 5,-0.2 0.953 116.7 48.6 -60.3 -52.7 32.4 49.2 80.5 34 34 A I H > S+ 0 0 103 1,-0.3 4,-1.0 2,-0.3 -1,-0.2 0.836 108.7 53.6 -57.7 -38.6 34.4 48.5 77.4 35 35 A L H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.885 117.1 38.9 -63.6 -39.4 31.3 47.3 75.6 36 36 A D H X S+ 0 0 34 -4,-1.9 4,-2.3 1,-0.2 -2,-0.3 0.869 108.1 63.6 -75.3 -42.1 29.7 50.7 76.7 37 37 A D H X S+ 0 0 102 -4,-4.2 4,-0.7 1,-0.2 -2,-0.2 0.672 112.0 36.6 -56.5 -25.0 32.9 52.6 76.0 38 38 A E H X S+ 0 0 111 -4,-1.0 4,-3.1 -3,-0.2 5,-0.3 0.838 111.1 54.5 -97.6 -47.1 32.8 51.7 72.3 39 39 A M H X S+ 0 0 9 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.896 110.8 51.9 -54.6 -38.6 29.1 51.8 71.6 40 40 A A H >X S+ 0 0 40 -4,-2.3 4,-2.3 2,-0.2 3,-1.0 0.980 111.7 42.4 -60.7 -59.0 29.2 55.3 73.0 41 41 A A H 3X S+ 0 0 44 -4,-0.7 4,-1.7 1,-0.3 -2,-0.2 0.873 114.2 53.0 -53.9 -41.6 32.0 56.5 70.8 42 42 A R H 3X S+ 0 0 118 -4,-3.1 4,-0.9 1,-0.2 -1,-0.3 0.715 107.9 51.8 -67.2 -25.3 30.5 54.8 67.9 43 43 A I H + 0 0 86 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 0.974 65.2 174.2 56.3 55.3 18.0 42.7 87.0 63 63 A L G >> + 0 0 0 1,-0.3 4,-3.0 51,-0.2 3,-2.6 0.658 65.3 80.5 -67.0 -17.6 17.6 43.5 83.4 64 64 A D G 34 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.518 83.4 67.3 -67.2 -2.5 13.9 43.6 83.9 65 65 A T G <4 S+ 0 0 97 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.601 112.1 27.9 -90.7 -17.2 14.6 47.0 85.1 66 66 A L T <4 S+ 0 0 37 -3,-2.6 2,-1.0 1,-0.2 -2,-0.2 0.624 115.2 64.6-112.7 -32.7 15.7 48.1 81.7 67 67 A I S < S+ 0 0 3 -4,-3.0 2,-0.2 2,-0.0 -1,-0.2 -0.812 80.0 165.6 -96.6 94.3 13.5 45.7 79.7 68 68 A T > - 0 0 44 -2,-1.0 3,-0.7 -3,-0.1 59,-0.4 -0.691 53.9-115.8-118.1 171.1 10.1 46.8 80.6 69 69 A A T 3 S+ 0 0 66 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.177 102.2 73.2 -80.8 12.8 6.5 46.6 79.6 70 70 A D T 3 S+ 0 0 142 2,-0.1 2,-0.3 57,-0.0 -1,-0.2 0.057 72.6 106.5-117.7 25.6 6.3 50.3 78.8 71 71 A L < - 0 0 36 -3,-0.7 -4,-0.0 4,-0.1 0, 0.0 -0.733 69.6-105.3-106.5 155.0 8.2 50.5 75.6 72 72 A A > - 0 0 37 -2,-0.3 3,-3.5 1,-0.1 56,-0.3 -0.548 21.0-122.8 -82.8 140.6 7.0 50.9 72.0 73 73 A P T 3 S+ 0 0 101 0, 0.0 55,-0.3 0, 0.0 -1,-0.1 0.675 119.4 53.4 -49.4 -19.6 6.8 48.2 69.4 74 74 A D T 3 S+ 0 0 102 53,-0.1 -49,-0.2 2,-0.1 53,-0.1 0.634 89.7 101.7 -90.4 -19.6 9.1 50.4 67.4 75 75 A D < - 0 0 38 -3,-3.5 53,-2.1 -51,-0.1 2,-0.3 -0.326 60.5-152.5 -67.1 147.8 11.5 50.6 70.3 76 76 A A E -de 26 128A 1 -51,-1.8 -49,-1.2 51,-0.2 2,-0.4 -0.832 13.0-162.6-122.7 162.1 14.6 48.5 70.1 77 77 A I E -de 27 129A 0 51,-1.6 53,-2.6 -2,-0.3 2,-0.5 -0.954 4.3-175.6-147.1 121.9 17.0 46.9 72.5 78 78 A L E -de 28 130A 0 -51,-2.5 -49,-1.3 -2,-0.4 2,-0.5 -0.819 11.8-176.1-121.7 89.7 20.5 45.6 71.7 79 79 A L E -de 29 131A 0 51,-2.0 53,-1.5 -2,-0.5 2,-0.3 -0.753 14.3-147.8 -89.3 129.2 21.9 43.9 74.7 80 80 A E E +de 30 132A 13 -51,-2.2 -49,-1.8 -2,-0.5 -48,-0.3 -0.981 53.7 10.2-148.6 133.7 25.5 42.7 74.4 81 81 A C > - 0 0 10 51,-0.6 4,-1.5 -2,-0.3 3,-0.5 0.514 41.1-179.2-124.1 137.8 27.1 40.4 75.5 82 82 A I H > S+ 0 0 0 50,-3.8 4,-1.3 -3,-0.2 3,-0.2 0.887 88.9 52.8 -49.0 -49.9 25.4 37.5 77.4 83 83 A T H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.845 106.0 52.7 -59.3 -37.9 28.6 35.6 78.1 84 84 A T H > S+ 0 0 48 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.858 107.2 55.6 -68.2 -28.6 30.3 38.6 79.7 85 85 A M H X S+ 0 0 0 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.843 106.1 48.8 -69.0 -35.0 27.3 38.8 81.8 86 86 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.876 110.4 51.1 -72.1 -39.5 27.7 35.2 83.1 87 87 A T H X S+ 0 0 45 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.951 109.4 51.4 -60.8 -49.2 31.4 35.9 83.9 88 88 A N H X S+ 0 0 50 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.824 110.4 48.4 -56.3 -39.8 30.4 38.9 85.8 89 89 A L H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.888 107.4 55.7 -70.3 -41.6 27.8 37.0 87.8 90 90 A L H X S+ 0 0 4 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.980 109.4 43.8 -52.8 -64.2 30.2 34.2 88.6 91 91 A F H X S+ 0 0 113 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.830 116.0 50.3 -50.9 -37.2 32.8 36.4 90.2 92 92 A A H < S+ 0 0 46 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.867 114.1 42.6 -72.7 -38.4 30.1 38.2 91.9 93 93 A L H < S+ 0 0 64 -4,-3.1 -2,-0.2 -3,-0.3 -3,-0.2 0.860 124.2 36.7 -75.5 -36.6 28.5 35.1 93.3 94 94 A G H >< S+ 0 0 12 -4,-3.7 3,-0.9 -5,-0.2 2,-0.2 0.975 89.5 142.3 -74.1 -60.3 31.8 33.5 94.2 95 95 A G T 3< + 0 0 40 -4,-2.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.396 61.7 23.9 65.6-125.3 33.3 36.8 95.3 96 96 A E T 3 S+ 0 0 180 -2,-0.2 2,-0.3 -4,-0.2 -1,-0.2 0.648 109.7 86.4 -46.6 -26.3 35.7 36.8 98.3 97 97 A N S < S- 0 0 60 -3,-0.9 5,-0.0 1,-0.1 -3,-0.0 -0.614 86.6-107.3 -92.7 146.8 36.4 33.1 97.9 98 98 A D > - 0 0 86 -2,-0.3 3,-2.7 1,-0.1 -1,-0.1 -0.384 34.0-117.5 -63.1 135.2 39.0 31.5 95.7 99 99 A P G > S+ 0 0 35 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.734 111.7 67.2 -47.7 -29.7 37.4 29.8 92.7 100 100 A E G 3 S+ 0 0 132 1,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.506 100.2 50.7 -73.8 -1.9 38.6 26.4 93.9 101 101 A Q G < S+ 0 0 119 -3,-2.7 -1,-0.3 2,-0.0 2,-0.2 0.106 88.1 126.5-118.2 17.2 36.3 26.8 96.7 102 102 A W < - 0 0 24 -3,-1.8 2,-0.8 1,-0.1 3,-0.1 -0.532 56.2-145.1 -81.0 144.2 33.5 27.6 94.5 103 103 A D > + 0 0 102 -2,-0.2 4,-1.8 1,-0.2 3,-0.3 -0.820 20.9 180.0-106.8 82.6 30.1 25.7 94.5 104 104 A Y H > S+ 0 0 26 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.870 75.9 59.0 -55.3 -40.8 29.3 25.8 90.8 105 105 A A H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.940 110.0 42.8 -55.1 -47.9 26.1 24.0 91.2 106 106 A A H > S+ 0 0 37 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.806 113.8 52.5 -68.6 -29.5 24.7 26.6 93.6 107 107 A M H X S+ 0 0 14 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.768 102.6 59.1 -77.0 -25.6 26.1 29.4 91.4 108 108 A E H X S+ 0 0 32 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.870 104.1 51.4 -70.2 -35.0 24.4 27.9 88.4 109 109 A R H X S+ 0 0 157 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.947 108.7 49.1 -66.7 -48.6 21.0 28.2 90.0 110 110 A A H < S+ 0 0 33 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.919 112.7 50.8 -56.8 -42.4 21.5 31.9 90.9 111 111 A I H >X S+ 0 0 0 -4,-1.8 3,-2.1 2,-0.2 4,-1.5 0.951 108.6 47.3 -61.2 -54.2 22.5 32.5 87.4 112 112 A D H 3X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.3 3,-0.3 0.900 105.5 61.5 -53.0 -42.5 19.6 30.8 85.7 113 113 A D H 3X S+ 0 0 96 -4,-2.5 4,-0.8 1,-0.3 -1,-0.3 0.685 105.7 47.6 -56.2 -21.9 17.4 32.7 88.1 114 114 A E H <> S+ 0 0 15 -3,-2.1 4,-1.5 -4,-0.5 -1,-0.3 0.722 108.1 55.2 -90.0 -30.7 18.9 35.8 86.4 115 115 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.3 -2,-0.2 0.952 104.7 52.0 -68.3 -48.1 18.3 34.3 83.0 116 116 A Q H X S+ 0 0 93 -4,-2.9 4,-5.7 1,-0.2 5,-0.4 0.917 106.0 55.4 -51.2 -50.9 14.6 33.8 83.5 117 117 A I H X S+ 0 0 39 -4,-0.8 4,-2.0 1,-0.3 -1,-0.2 0.903 112.4 41.6 -48.0 -51.8 14.1 37.4 84.7 118 118 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.880 119.1 46.6 -65.4 -40.1 15.6 38.7 81.5 119 119 A I H X S+ 0 0 25 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.948 114.5 44.8 -66.3 -53.4 13.7 36.1 79.5 120 120 A A H X S+ 0 0 21 -4,-5.7 4,-1.3 1,-0.2 -1,-0.2 0.836 111.6 57.8 -60.5 -32.2 10.4 36.7 81.2 121 121 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.4 -1,-0.2 0.882 101.1 52.2 -66.1 -42.2 11.2 40.4 80.8 122 122 A C H < S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 104.9 58.1 -65.4 -28.1 11.5 40.3 77.1 123 123 A Q H < S+ 0 0 141 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.2 38.4 -64.8 -44.1 8.1 38.5 76.9 124 124 A R H < S+ 0 0 159 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.889 96.8 92.2 -73.2 -44.9 6.6 41.5 78.7 125 125 A C < - 0 0 7 -4,-3.3 -56,-0.2 -58,-0.2 4,-0.2 -0.401 64.1-157.6 -60.8 116.1 8.7 44.0 76.9 126 126 A P + 0 0 63 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.516 65.1 90.3 -71.0 -9.8 6.7 45.1 73.8 127 127 A A S S- 0 0 9 -59,-0.4 2,-0.7 1,-0.1 -51,-0.2 -0.441 93.3 -87.0 -89.6 163.0 9.8 46.3 72.0 128 128 A K E - e 0 76A 82 -53,-2.1 -51,-1.6 -56,-0.3 2,-0.6 -0.562 45.4-158.6 -71.2 107.7 12.2 44.3 69.7 129 129 A V E - e 0 77A 2 -2,-0.7 -127,-3.2 -4,-0.2 2,-0.5 -0.805 10.9-175.6 -99.1 123.9 14.7 42.6 71.9 130 130 A V E -ae 2 78A 0 -53,-2.6 -51,-2.0 -2,-0.6 2,-0.4 -0.966 4.9-168.3-118.9 121.8 18.1 41.5 70.4 131 131 A L E -ae 3 79A 0 -129,-3.0 -127,-3.1 -2,-0.5 2,-0.4 -0.896 5.5-155.9-114.9 140.1 20.6 39.5 72.4 132 132 A V E +ae 4 80A 0 -53,-1.5 -50,-3.8 -2,-0.4 -51,-0.6 -0.933 21.2 155.9-117.8 134.4 24.2 38.7 71.7 133 133 A T - 0 0 0 -129,-2.5 -127,-0.4 -2,-0.4 2,-0.3 -0.864 30.9-114.7-142.9 174.5 26.2 35.8 73.0 134 134 A N - 0 0 23 -2,-0.3 2,-0.7 -129,-0.2 -127,-0.2 -0.841 13.2-128.6-120.7 156.9 29.2 33.8 72.1 135 135 A E + 0 0 9 -129,-2.1 -127,-0.1 -2,-0.3 3,-0.1 -0.922 37.2 158.7-101.7 112.4 29.9 30.2 71.2 136 136 A V + 0 0 12 -2,-0.7 3,-0.3 15,-0.2 -1,-0.1 0.211 52.6 80.3-120.3 11.5 32.7 29.1 73.4 137 137 A G + 0 0 3 1,-0.2 52,-2.2 364,-0.1 364,-0.2 0.187 65.7 85.9-107.0 22.2 32.2 25.3 73.3 138 138 A M S S+ 0 0 12 362,-3.3 181,-2.5 50,-0.2 182,-0.3 0.143 78.6 73.7-106.3 21.1 33.9 24.4 70.0 139 139 A G S S- 0 0 6 361,-0.3 2,-0.2 -3,-0.3 179,-0.1 -0.339 93.6 -64.7-114.0-163.8 37.3 24.1 71.2 140 140 A I - 0 0 45 181,-0.3 362,-0.2 -2,-0.1 -1,-0.1 -0.556 63.9 -87.6 -85.6 148.3 39.3 21.6 73.3 141 141 A V - 0 0 82 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.340 49.2-119.8 -59.2 134.4 38.5 21.0 76.9 142 142 A P - 0 0 21 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.524 11.0-152.0 -84.9 143.9 40.2 23.5 79.3 143 143 A E S S+ 0 0 153 -2,-0.2 2,-0.3 4,-0.1 -2,-0.0 0.826 75.4 94.6 -76.2 -36.1 42.6 22.6 82.0 144 144 A N S > S- 0 0 50 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.489 73.4-144.9 -65.1 122.3 41.7 25.7 84.0 145 145 A R H > S+ 0 0 112 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.862 95.9 47.1 -52.1 -52.2 38.9 24.5 86.4 146 146 A L H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.832 111.2 52.4 -64.6 -35.3 36.9 27.7 86.3 147 147 A A H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.940 104.6 55.8 -66.0 -47.7 37.0 27.8 82.5 148 148 A R H X S+ 0 0 85 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.890 112.5 43.0 -51.0 -44.3 35.8 24.3 82.2 149 149 A H H X S+ 0 0 61 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.947 111.0 54.2 -69.3 -49.7 32.8 25.3 84.3 150 150 A F H X S+ 0 0 22 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.907 106.8 51.4 -52.7 -45.0 32.2 28.5 82.5 151 151 A R H X S+ 0 0 20 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.933 113.1 47.5 -58.0 -43.7 32.1 26.8 79.1 152 152 A D H X S+ 0 0 35 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.927 113.4 44.1 -63.5 -51.8 29.6 24.5 80.5 153 153 A I H X S+ 0 0 2 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.865 111.8 56.3 -65.3 -33.4 27.4 27.0 82.1 154 154 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.814 106.0 48.3 -69.9 -31.5 27.7 29.1 79.1 155 155 A G H X S+ 0 0 6 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.929 110.1 52.3 -74.7 -39.6 26.4 26.5 76.8 156 156 A R H X S+ 0 0 79 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.762 110.2 49.4 -64.8 -27.1 23.5 25.7 79.0 157 157 A V H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 3,-0.5 0.921 105.2 56.1 -77.7 -43.1 22.6 29.3 79.1 158 158 A N H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.3 -2,-0.2 0.821 106.9 52.2 -55.7 -30.9 22.8 29.6 75.3 159 159 A Q H X S+ 0 0 36 -4,-1.5 4,-2.3 31,-0.2 -1,-0.3 0.871 105.7 53.6 -72.4 -38.2 20.3 26.9 75.2 160 160 A R H X S+ 0 0 86 -4,-1.1 4,-1.2 -3,-0.5 -2,-0.2 0.910 114.7 39.4 -60.7 -48.2 17.9 28.6 77.6 161 161 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.776 112.7 57.7 -72.6 -32.6 17.8 31.8 75.5 162 162 A A H < S+ 0 0 1 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.899 105.0 50.0 -65.2 -45.3 17.8 29.9 72.2 163 163 A A H < S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 116.9 42.0 -60.3 -41.4 14.6 28.0 73.2 164 164 A A H < S+ 0 0 41 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.700 93.9 98.0 -80.8 -22.8 12.9 31.3 74.1 165 165 A A < - 0 0 2 -4,-1.6 -163,-0.2 1,-0.1 3,-0.1 -0.191 62.8-150.9 -62.3 163.5 14.2 33.2 71.2 166 166 A D S S+ 0 0 119 -165,-2.9 2,-0.3 1,-0.4 -164,-0.2 0.690 86.0 25.2-103.2 -30.5 11.8 33.6 68.3 167 167 A E E S-b 2 0A 61 -166,-0.8 -164,-2.2 2,-0.0 -1,-0.4 -0.967 71.0-161.4-133.5 143.6 14.6 33.9 65.8 168 168 A V E -b 3 0A 0 -2,-0.3 11,-1.9 -166,-0.2 12,-1.5 -0.999 7.2-165.4-133.0 129.3 18.1 32.6 66.1 169 169 A W E -bF 4 178A 42 -166,-2.5 -164,-1.6 -2,-0.4 2,-0.5 -0.901 8.3-156.8-118.5 146.5 21.1 33.7 64.1 170 170 A L E -bF 5 177A 19 7,-1.6 7,-2.3 -2,-0.4 2,-0.6 -0.978 11.1-156.1-122.2 128.2 24.5 32.3 63.6 171 171 A V E +bF 6 176A 0 -166,-2.4 -164,-0.7 -2,-0.5 2,-0.5 -0.905 14.9 172.7-111.6 123.6 27.3 34.5 62.6 172 172 A V E > S- F 0 175A 4 3,-3.0 3,-1.8 -2,-0.6 -162,-0.1 -0.938 72.9 -26.0-131.0 112.3 30.3 33.2 60.8 173 173 A S T 3 S- 0 0 4 -2,-0.5 -162,-0.2 1,-0.3 351,-0.1 0.876 126.3 -48.8 56.8 38.4 33.0 35.5 59.4 174 174 A G T 3 S+ 0 0 12 -164,-2.3 2,-0.4 1,-0.2 -1,-0.3 -0.013 116.6 110.7 94.0 -30.4 30.5 38.3 59.1 175 175 A I E < -F 172 0A 30 -3,-1.8 -3,-3.0 1,-0.0 -1,-0.2 -0.695 60.2-139.1 -86.1 127.8 27.8 36.2 57.3 176 176 A G E -F 171 0A 20 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.522 11.9-163.4 -86.3 149.4 24.6 35.5 59.2 177 177 A V E -F 170 0A 41 -7,-2.3 -7,-1.6 -2,-0.2 2,-0.8 -0.897 14.2-143.2-138.2 105.6 22.8 32.2 59.3 178 178 A K E +F 169 0A 102 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.536 27.7 166.8 -69.0 108.5 19.2 32.0 60.5 179 179 A I 0 0 28 -11,-1.9 -1,-0.2 -2,-0.8 -10,-0.2 0.567 360.0 360.0 -99.8 -10.4 19.0 28.7 62.2 180 180 A K 0 0 88 -12,-1.5 -11,-0.1 -3,-0.1 -2,-0.1 0.445 360.0 360.0-144.7 360.0 15.7 29.3 63.9 181 !* 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 0.0 182 201 B M 0 0 30 0, 0.0 165,-3.0 0, 0.0 166,-0.9 0.000 360.0 360.0 360.0 176.9 23.3 6.0 60.1 183 202 B I E -gh 311 348B 13 127,-1.9 129,-3.6 163,-0.2 2,-0.5 -0.944 360.0-151.9-119.9 137.7 22.8 9.5 61.5 184 203 B L E -gh 312 349B 0 164,-2.4 166,-3.6 -2,-0.4 2,-0.5 -0.946 8.6-173.2-117.0 128.5 25.4 11.9 62.8 185 204 B V E +gh 313 350B 0 127,-2.9 129,-3.3 -2,-0.5 2,-0.3 -0.975 14.5 170.2-120.0 113.6 24.9 14.6 65.4 186 205 B T E + h 0 351B 0 164,-2.8 166,-2.4 -2,-0.5 2,-0.3 -0.743 12.7 121.5-117.8 168.7 27.8 17.0 66.0 187 206 B G E - 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