==== 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 TRANSFERASE 02-AUG-99 1C9K . COMPND 2 MOLECULE: ADENOSYLCOBINAMIDE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR T.B.THOMPSON,M.G.THOMAS,J.C.ESCLANTE-SEMERENA,I.RAYMENT . 515 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.9 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 . 45 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 35.5 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 1 0 0 1 0 3 0 1 1 2 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 9 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 . 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 31 0, 0.0 157,-3.6 0, 0.0 158,-1.3 0.000 360.0 360.0 360.0 163.5 36.0 23.5 8.0 2 2 A I E -ab 122 159A 14 119,-2.6 121,-3.4 155,-0.2 2,-0.5 -0.975 360.0-158.6-126.6 128.5 36.1 24.5 11.6 3 3 A L E -ab 123 160A 0 156,-2.2 158,-2.0 -2,-0.4 2,-0.5 -0.901 9.1-170.0-106.6 129.1 34.4 27.2 13.3 4 4 A V E +ab 124 161A 0 119,-2.3 121,-2.3 -2,-0.5 2,-0.3 -0.985 13.7 172.1-125.8 119.2 35.8 28.5 16.6 5 5 A T E + b 0 162A 0 156,-2.8 158,-2.6 -2,-0.5 2,-0.3 -0.797 13.0 118.7-125.0 167.8 33.8 30.8 18.7 6 6 A G E - b 0 163A 0 -2,-0.3 121,-2.1 119,-0.2 158,-0.1 -0.919 55.1 -62.9 160.4-178.8 33.9 32.4 22.1 7 7 A G > - 0 0 4 156,-0.6 3,-1.5 -2,-0.3 5,-0.3 -0.243 68.9 -59.6 -87.9 178.1 34.0 35.8 23.7 8 8 A A T 3 S+ 0 0 15 471,-1.8 -1,-0.2 1,-0.3 470,-0.1 -0.378 123.3 0.8 -60.5 116.4 36.5 38.6 23.7 9 9 A R T 3 S+ 0 0 64 -2,-0.3 -1,-0.3 -3,-0.1 492,-0.2 0.896 85.9 137.0 66.9 43.0 39.8 37.4 25.0 10 10 A S S < S- 0 0 7 -3,-1.5 156,-2.9 155,-0.1 157,-0.1 0.326 78.1-104.9 -95.5 -3.0 38.6 33.8 25.6 11 11 A G S > S+ 0 0 0 154,-0.2 4,-1.5 -4,-0.1 5,-0.1 0.755 80.8 133.6 79.7 26.6 41.8 32.2 24.1 12 12 A K H > + 0 0 16 -5,-0.3 4,-2.6 2,-0.2 5,-0.1 0.863 66.8 53.6 -75.8 -33.7 40.0 31.3 20.9 13 13 A S H > S+ 0 0 39 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.938 109.0 48.3 -63.0 -49.3 42.7 32.5 18.7 14 14 A R H > S+ 0 0 187 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.0 50.1 -59.6 -41.7 45.3 30.4 20.5 15 15 A H H X S+ 0 0 29 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.946 111.2 49.5 -61.2 -43.6 43.1 27.5 20.2 16 16 A A H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 3,-1.6 0.971 107.9 50.6 -58.3 -55.1 42.7 28.2 16.6 17 17 A E H 3X S+ 0 0 89 -4,-3.2 4,-1.6 1,-0.3 -1,-0.3 0.781 108.0 59.1 -53.9 -28.1 46.4 28.5 15.9 18 18 A A H 3< S+ 0 0 59 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.783 100.4 51.0 -73.1 -31.8 46.5 25.3 17.7 19 19 A L H << S+ 0 0 38 -3,-1.6 -2,-0.2 -4,-1.4 -1,-0.2 0.900 105.6 59.6 -72.6 -34.1 44.2 23.5 15.2 20 20 A I H < S+ 0 0 9 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.940 83.3 165.1 -54.4 -52.4 46.4 24.8 12.5 21 21 A G < - 0 0 46 -4,-1.6 2,-0.2 1,-0.2 -1,-0.1 -0.393 60.8 -14.9 72.3-145.9 49.5 23.1 13.8 22 22 A D S S+ 0 0 160 -2,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 -0.128 79.6 167.3 -88.5 35.0 52.7 22.6 11.8 23 23 A A - 0 0 8 -3,-0.3 47,-0.1 -2,-0.2 3,-0.1 -0.450 31.7-146.9 -61.1 106.4 50.9 23.5 8.7 24 24 A P S S+ 0 0 72 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.867 83.3 27.8 -40.8 -58.3 53.7 23.9 6.4 25 25 A Q S S+ 0 0 45 44,-0.3 46,-2.2 42,-0.1 2,-0.4 -0.967 75.3 176.4-119.9 123.9 52.0 26.6 4.4 26 26 A V E -cd 49 71A 8 22,-1.7 24,-2.0 -2,-0.5 2,-0.6 -0.980 20.1-152.3-131.8 134.4 49.4 28.8 6.0 27 27 A L E -cd 50 72A 38 44,-2.5 46,-2.6 -2,-0.4 2,-0.6 -0.911 11.1-156.9-109.3 128.3 47.3 31.8 4.8 28 28 A Y E -cd 51 73A 14 22,-3.3 24,-3.4 -2,-0.6 2,-0.9 -0.905 3.2-160.6-104.7 109.7 46.2 34.2 7.5 29 29 A I E -cd 52 74A 0 44,-2.2 46,-2.9 -2,-0.6 2,-0.7 -0.820 6.5-167.9 -97.7 100.0 43.2 36.2 6.5 30 30 A A E - d 0 75A 11 -2,-0.9 24,-0.2 22,-0.8 46,-0.2 -0.803 9.9-178.5 -92.1 107.4 42.9 39.4 8.6 31 31 A T + 0 0 0 44,-1.6 2,-0.3 -2,-0.7 45,-0.2 0.497 43.4 119.0 -83.6 -8.0 39.6 41.1 8.2 32 32 A S - 0 0 45 43,-0.6 2,-0.4 22,-0.1 -2,-0.1 -0.490 59.4-139.7 -72.7 128.1 40.4 43.9 10.5 33 33 A Q 0 0 114 -2,-0.3 -2,-0.1 46,-0.1 -1,-0.1 -0.667 360.0 360.0 -78.7 127.5 40.4 47.3 9.0 34 34 A I 0 0 139 -2,-0.4 -1,-0.1 4,-0.0 0, 0.0 -0.470 360.0 360.0 -85.7 360.0 43.3 49.4 10.3 35 ! 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 36 41 A A > 0 0 81 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -52.6 49.9 49.0 16.4 37 42 A R H > + 0 0 216 1,-0.3 4,-0.6 2,-0.2 3,-0.1 0.832 360.0 46.4 -52.5 -32.7 47.9 46.4 18.2 38 43 A I H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.780 96.6 72.1 -79.2 -34.1 48.1 44.8 14.9 39 44 A Q H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 103.3 42.2 -48.5 -46.0 51.8 45.5 14.6 40 45 A H H X S+ 0 0 59 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.730 102.8 64.6 -74.4 -32.9 52.4 42.8 17.2 41 46 A H H >< S+ 0 0 44 -4,-0.6 3,-0.6 -3,-0.3 -2,-0.2 0.961 109.4 42.5 -55.2 -50.3 49.9 40.3 15.9 42 47 A K H >< S+ 0 0 81 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.961 107.8 61.2 -54.7 -58.5 52.1 40.1 12.9 43 48 A D H 3< S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.698 106.9 44.6 -40.9 -35.3 55.2 40.1 15.0 44 49 A G T << S+ 0 0 60 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 -0.019 93.0 107.5-103.2 25.6 54.1 36.8 16.7 45 50 A R S < S- 0 0 37 -3,-2.9 4,-0.1 1,-0.1 -3,-0.0 -0.925 73.8-110.5-109.5 123.4 53.1 35.3 13.3 46 51 A P > - 0 0 49 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.162 18.6-116.3 -48.2 164.6 55.3 32.6 11.9 47 52 A A T 3 S+ 0 0 109 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.835 110.9 54.6 -70.9 -41.6 57.5 32.8 8.8 48 53 A H T 3 S+ 0 0 83 -25,-0.1 -22,-1.7 2,-0.0 2,-0.5 0.046 92.7 91.6 -86.5 23.5 55.7 30.3 6.7 49 54 A W E < -c 26 0A 21 -3,-0.7 2,-0.3 -24,-0.2 -22,-0.2 -0.982 59.8-163.7-121.2 117.0 52.5 32.1 7.2 50 55 A R E -c 27 0A 67 -24,-2.0 -22,-3.3 -2,-0.5 2,-0.4 -0.726 14.5-134.7 -99.5 152.7 51.4 34.8 4.7 51 56 A T E -c 28 0A 57 -2,-0.3 2,-0.6 -24,-0.2 -22,-0.2 -0.912 11.6-163.5-114.4 131.1 48.7 37.3 5.5 52 57 A A E -c 29 0A 16 -24,-3.4 2,-1.5 -2,-0.4 -22,-0.8 -0.923 9.9-153.1-115.2 108.2 45.8 38.5 3.3 53 58 A E + 0 0 108 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.620 49.6 116.5 -82.4 87.7 44.1 41.7 4.4 54 59 A C - 0 0 28 -2,-1.5 -2,-0.1 -24,-0.2 -22,-0.1 -0.998 42.7-177.0-154.8 150.7 40.6 41.3 3.1 55 60 A W S S+ 0 0 59 -2,-0.3 2,-0.3 -24,-0.1 3,-0.1 0.059 74.4 69.3-130.5 19.4 37.0 40.9 4.1 56 61 A R S S+ 0 0 97 1,-0.2 4,-0.1 2,-0.0 50,-0.0 -0.978 95.5 9.2-140.1 150.2 35.6 40.4 0.6 57 62 A H > + 0 0 89 -2,-0.3 3,-1.1 1,-0.1 -1,-0.2 0.931 57.6 169.0 41.0 69.8 35.7 37.6 -2.0 58 63 A L G >> S+ 0 0 6 1,-0.3 4,-3.8 48,-0.2 3,-3.1 0.735 70.6 77.3 -77.1 -23.0 37.3 35.0 0.1 59 64 A D G 34 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.699 85.3 65.2 -59.6 -18.3 36.5 32.7 -2.6 60 65 A T G <4 S+ 0 0 100 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.603 115.9 26.2 -76.6 -16.1 39.5 34.4 -4.1 61 66 A L T <4 S+ 0 0 42 -3,-3.1 2,-1.5 1,-0.2 -2,-0.2 0.616 108.0 73.0-118.8 -29.2 41.7 33.0 -1.4 62 67 A I S < S- 0 0 0 -4,-3.8 2,-0.2 55,-0.0 -1,-0.2 -0.700 78.3-180.0 -94.9 85.2 39.8 29.9 -0.4 63 68 A T > - 0 0 36 -2,-1.5 3,-0.9 -3,-0.1 56,-0.4 -0.529 43.4-133.4 -96.0 151.2 40.6 27.9 -3.5 64 69 A A T 3 S+ 0 0 58 1,-0.3 -1,-0.1 53,-0.2 -2,-0.0 0.748 108.7 54.5 -68.5 -25.5 39.9 24.5 -4.9 65 70 A D T 3 S+ 0 0 133 52,-0.1 -1,-0.3 2,-0.1 52,-0.1 0.605 77.8 124.1 -83.6 -16.6 43.5 23.9 -5.8 66 71 A L S < S- 0 0 40 -3,-0.9 53,-0.1 1,-0.1 -4,-0.0 -0.218 71.6-106.7 -49.2 135.5 44.7 24.7 -2.3 67 72 A A > - 0 0 37 1,-0.1 3,-2.4 51,-0.1 53,-0.3 -0.474 19.0-134.8 -69.3 126.2 46.8 21.7 -0.9 68 73 A P T 3 S+ 0 0 87 0, 0.0 52,-0.7 0, 0.0 -1,-0.1 0.832 106.2 55.9 -47.0 -48.3 45.1 19.6 1.7 69 74 A D T 3 S+ 0 0 132 50,-0.1 -44,-0.3 2,-0.1 2,-0.2 0.471 100.1 80.8 -71.5 0.0 48.1 19.6 4.0 70 75 A D < - 0 0 40 -3,-2.4 50,-2.4 -47,-0.1 2,-0.3 -0.628 70.0-149.3-101.7 162.5 48.0 23.4 3.8 71 76 A A E -de 26 120A 5 -46,-2.2 -44,-2.5 48,-0.2 2,-0.4 -0.942 15.2-148.7-140.4 163.2 45.7 25.6 5.9 72 77 A I E -de 27 121A 3 48,-3.7 50,-2.3 -2,-0.3 2,-0.5 -0.961 8.2-165.0-124.6 137.8 43.7 28.8 6.2 73 78 A L E -de 28 122A 0 -46,-2.6 -44,-2.2 -2,-0.4 2,-0.5 -0.973 10.0-161.6-123.9 112.4 43.1 30.8 9.4 74 79 A L E -de 29 123A 0 48,-4.0 50,-2.6 -2,-0.5 2,-0.3 -0.859 7.7-149.9-101.2 129.9 40.3 33.4 9.1 75 80 A E E -de 30 124A 37 -46,-2.9 -44,-1.6 -2,-0.5 -43,-0.6 -0.859 60.9 -2.4-147.8 109.6 40.2 36.1 11.7 76 81 A C > - 0 0 17 48,-0.7 4,-1.8 -2,-0.3 3,-0.4 0.603 36.3-176.2-141.4 163.4 37.6 37.1 12.2 77 82 A I H > S+ 0 0 0 47,-3.2 4,-2.0 -3,-0.3 48,-0.2 0.825 93.7 53.4 -55.0 -44.5 34.1 36.7 11.1 78 83 A T H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.828 108.5 50.5 -62.9 -36.7 32.5 39.4 13.3 79 84 A T H > S+ 0 0 32 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.933 108.3 52.3 -63.1 -52.0 34.9 42.0 12.1 80 85 A M H X S+ 0 0 2 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.899 108.8 52.0 -52.6 -42.4 34.1 41.1 8.6 81 86 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.948 107.6 51.0 -59.1 -53.4 30.5 41.5 9.4 82 87 A T H X S+ 0 0 48 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.928 111.4 46.6 -52.6 -50.9 31.1 45.0 10.8 83 88 A N H X S+ 0 0 12 -4,-2.8 4,-1.3 1,-0.2 -1,-0.3 0.871 109.6 56.7 -61.5 -36.6 32.9 46.2 7.7 84 89 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.3 3,-0.4 0.940 107.9 44.9 -59.8 -50.8 30.3 44.7 5.6 85 90 A L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.898 113.4 50.9 -57.0 -47.6 27.5 46.6 7.2 86 91 A F H < S+ 0 0 109 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.747 107.0 56.1 -64.9 -24.1 29.5 49.7 7.0 87 92 A A H < 0 0 46 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.982 360.0 360.0 -68.4 -58.9 30.2 49.0 3.4 88 93 A L < 0 0 80 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.472 360.0 360.0 -59.7 360.0 26.5 48.9 2.6 89 ! 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 90 98 A D > 0 0 124 0, 0.0 3,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 113.9 23.8 57.2 8.7 91 99 A P T 3 + 0 0 46 0, 0.0 3,-0.4 0, 0.0 -5,-0.0 0.464 360.0 59.4 -25.6 -12.9 23.5 53.9 10.7 92 100 A E T 3 S+ 0 0 157 -2,-0.7 2,-0.2 1,-0.2 0, 0.0 0.862 101.1 51.8 -87.1 -44.0 19.9 55.0 11.6 93 101 A Q S < S+ 0 0 158 -3,-2.8 2,-0.4 2,-0.1 -1,-0.2 -0.108 87.3 128.0 -83.5 34.3 18.7 55.3 8.0 94 102 A W - 0 0 37 -3,-0.4 2,-1.6 -2,-0.2 3,-0.2 -0.815 60.3-138.6-100.2 134.6 20.0 51.8 7.4 95 103 A D >> - 0 0 100 -2,-0.4 4,-2.4 1,-0.2 3,-1.2 -0.590 25.0-177.6 -91.9 77.8 17.8 49.1 5.8 96 104 A Y H 3> S+ 0 0 11 -2,-1.6 4,-3.2 1,-0.3 5,-0.2 0.795 75.4 56.5 -41.6 -49.7 18.9 46.3 8.0 97 105 A A H 3> S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.867 114.4 41.1 -53.4 -41.4 16.8 43.5 6.4 98 106 A A H <> S+ 0 0 29 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.855 113.2 52.8 -72.8 -42.8 18.5 44.4 3.1 99 107 A M H >X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 3,-0.6 0.970 108.2 51.5 -57.3 -54.2 21.9 44.8 4.6 100 108 A E H 3X S+ 0 0 48 -4,-3.2 4,-2.8 1,-0.3 -1,-0.2 0.824 105.3 54.7 -50.9 -43.8 21.6 41.4 6.2 101 109 A R H 3X S+ 0 0 135 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.3 0.864 108.9 48.5 -61.7 -38.7 20.7 39.7 3.0 102 110 A A H X S+ 0 0 43 -4,-3.7 3,-1.3 1,-0.2 4,-0.8 0.917 111.5 58.1 -56.2 -41.3 30.6 27.3 -0.8 113 121 A A H >X S+ 0 0 1 -4,-3.6 3,-1.4 1,-0.3 4,-0.6 0.933 105.9 47.4 -52.7 -51.1 34.3 28.3 -1.0 114 122 A C H 3< S+ 0 0 15 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.668 102.6 67.3 -66.8 -11.5 35.1 26.2 2.1 115 123 A Q H << S+ 0 0 126 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.728 112.2 29.0 -78.0 -23.6 33.1 23.4 0.5 116 124 A R H << S+ 0 0 128 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.274 90.5 107.1-120.3 7.5 35.6 23.0 -2.2 117 125 A C < - 0 0 14 -4,-0.6 -53,-0.2 -5,-0.2 4,-0.1 -0.780 53.1-159.2 -88.4 126.0 38.8 24.0 -0.6 118 126 A P + 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.640 65.7 86.1 -80.8 -9.3 40.9 20.9 0.1 119 127 A A S S- 0 0 8 -56,-0.4 2,-0.4 1,-0.1 -48,-0.2 -0.384 95.4 -83.1 -86.9 165.1 42.9 22.6 2.7 120 128 A K E - e 0 71A 89 -50,-2.4 -48,-3.7 -52,-0.7 2,-0.5 -0.548 45.9-164.6 -70.5 123.6 42.2 23.1 6.4 121 129 A V E + e 0 72A 5 -2,-0.4 -119,-2.6 -50,-0.2 2,-0.5 -0.945 9.6 178.9-117.8 116.4 39.9 26.0 6.9 122 130 A V E -ae 2 73A 0 -50,-2.3 -48,-4.0 -2,-0.5 2,-0.5 -0.967 6.3-167.5-119.3 127.8 39.5 27.5 10.3 123 131 A L E -ae 3 74A 0 -121,-3.4 -119,-2.3 -2,-0.5 2,-0.5 -0.941 7.6-151.1-117.4 136.2 37.3 30.5 10.9 124 132 A V E +ae 4 75A 1 -50,-2.6 -47,-3.2 -2,-0.5 -48,-0.7 -0.903 24.9 156.8-110.0 133.3 37.3 32.5 14.0 125 133 A T - 0 0 0 -121,-2.3 2,-0.3 -2,-0.5 -119,-0.2 -0.812 29.0-120.4-137.8 175.3 34.2 34.4 15.2 126 134 A N - 0 0 25 -2,-0.2 2,-0.5 -121,-0.2 -119,-0.2 -0.858 15.4-119.6-125.2 160.1 32.9 35.7 18.6 127 135 A E + 0 0 12 -121,-2.1 -119,-0.3 -2,-0.3 218,-0.0 -0.845 42.4 156.6 -91.9 129.2 29.9 35.2 20.8 128 136 A V + 0 0 15 -2,-0.5 3,-0.2 53,-0.2 -1,-0.1 0.380 53.4 71.9-136.9 2.6 28.2 38.6 21.1 129 137 A G + 0 0 4 352,-0.2 52,-2.1 1,-0.2 352,-0.2 0.015 69.9 92.0-109.9 26.4 24.6 37.9 22.1 130 138 A M S S+ 0 0 4 350,-3.2 181,-3.6 50,-0.2 182,-0.4 0.142 77.6 67.7-105.7 19.2 25.1 36.8 25.7 131 139 A G S S- 0 0 9 349,-0.4 179,-0.2 180,-0.2 50,-0.1 -0.441 96.7 -60.3-118.0-164.9 24.7 40.2 27.2 132 140 A I - 0 0 46 181,-0.2 -1,-0.2 -2,-0.2 350,-0.2 -0.304 62.8 -84.3 -77.8 160.1 21.8 42.6 27.5 133 141 A V - 0 0 90 1,-0.1 -1,-0.1 -2,-0.1 7,-0.1 -0.534 53.2-118.9 -70.5 124.6 19.8 44.2 24.7 134 142 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.304 9.5-147.7 -71.7 145.2 21.5 47.2 23.4 135 143 A E S S+ 0 0 102 -2,-0.1 2,-0.5 4,-0.0 -2,-0.0 0.675 80.6 90.0 -78.8 -25.2 20.2 50.7 23.3 136 144 A N S > S- 0 0 96 1,-0.1 4,-1.4 2,-0.0 5,-0.1 -0.657 71.8-148.4 -82.0 126.9 22.1 51.3 20.2 137 145 A R H > S+ 0 0 97 -2,-0.5 4,-1.3 2,-0.2 -1,-0.1 0.788 95.4 44.8 -65.0 -31.5 20.0 50.5 17.1 138 146 A L H >> S+ 0 0 20 2,-0.2 4,-4.4 1,-0.2 3,-1.0 0.984 111.7 52.0 -73.8 -55.7 22.9 49.4 14.9 139 147 A A H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.748 108.4 54.4 -45.1 -33.1 24.5 47.3 17.6 140 148 A R H 3X S+ 0 0 77 -4,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.881 114.3 38.1 -72.8 -40.8 21.2 45.7 18.0 141 149 A H H - F 0 167A 0 3,-4.6 3,-2.0 -2,-0.6 -153,-0.1 -0.939 67.5 -25.4-123.9 115.7 35.9 29.3 27.5 165 173 A S T 3 S- 0 0 3 -2,-0.5 -1,-0.2 1,-0.3 -154,-0.2 0.897 130.0 -47.5 57.3 40.8 38.5 31.0 29.6 166 174 A G T 3 S+ 0 0 31 -156,-2.9 2,-0.5 1,-0.3 -1,-0.3 0.446 117.4 122.2 82.9 -3.5 41.0 29.6 27.2 167 175 A I E < -F 164 0A 25 -3,-2.0 -3,-4.6 -157,-0.1 2,-0.5 -0.843 57.9-136.2 -99.8 128.5 39.4 26.2 27.4 168 176 A G E -F 163 0A 30 -2,-0.5 2,-0.5 -5,-0.3 -5,-0.2 -0.709 16.4-169.2 -89.5 128.0 38.1 24.6 24.3 169 177 A V E -F 162 0A 37 -7,-3.3 -7,-3.4 -2,-0.5 2,-0.9 -0.961 15.6-144.0-116.8 113.1 34.7 22.9 24.2 170 178 A K E +F 161 0A 108 -2,-0.5 -9,-0.3 -9,-0.2 -2,-0.0 -0.672 27.3 167.4 -80.5 105.2 33.9 20.8 21.2 171 179 A I 0 0 29 -11,-1.7 -10,-0.2 -2,-0.9 -1,-0.2 0.727 360.0 360.0 -90.5 -22.1 30.2 21.3 20.5 172 180 A K 0 0 87 -12,-2.0 -11,-0.1 176,-0.0 -2,-0.1 0.503 360.0 360.0-142.2 360.0 30.1 19.8 17.0 173 !* 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 0.0 174 1 B M 0 0 23 0, 0.0 165,-1.9 0, 0.0 166,-1.1 0.000 360.0 360.0 360.0 177.0 9.6 20.5 31.1 175 2 B I E -gh 303 340B 16 127,-1.7 129,-2.7 164,-0.2 2,-0.4 -0.987 360.0-145.9-132.0 137.0 12.6 21.5 29.3 176 3 B L E -gh 304 341B 0 164,-4.6 166,-1.3 -2,-0.4 2,-0.4 -0.877 12.7-170.7-107.6 139.7 14.5 24.6 29.5 177 4 B V E +gh 305 342B 0 127,-2.2 129,-3.0 -2,-0.4 2,-0.3 -0.956 13.1 168.5-129.8 114.4 16.2 26.1 26.4 178 5 B T E +gh 306 343B 0 164,-2.8 166,-2.0 -2,-0.4 2,-0.3 -0.858 9.4 131.1-127.8 163.0 18.6 29.0 26.7 179 6 B G E -g 307 0B 0 127,-0.5 129,-2.1 -2,-0.3 166,-0.1 -0.931 51.4 -81.0 173.6 172.3 21.1 30.9 24.6 180 7 B G S > S- 0 0 2 164,-0.5 3,-1.0 -2,-0.3 2,-0.4 0.009 72.0 -52.3 -79.6-163.7 22.0 34.5 23.6 181 8 B A T 3 S+ 0 0 14 -52,-2.1 -1,-0.2 1,-0.3 -53,-0.2 -0.580 126.4 4.1 -74.0 129.0 20.3 36.6 21.0 182 9 B R T 3 S+ 0 0 65 -2,-0.4 -31,-0.3 -3,-0.1 -1,-0.3 0.873 85.8 136.4 62.0 44.5 20.1 34.8 17.7 183 10 B S S < S- 0 0 5 -3,-1.0 164,-2.3 163,-0.1 165,-0.1 0.558 75.7-109.5 -92.0 -17.6 21.6 31.6 19.0 184 11 B G S > S+ 0 0 5 -4,-0.2 4,-2.3 162,-0.1 5,-0.2 0.574 78.1 133.7 94.5 10.0 19.1 29.4 17.3 185 12 B K H > + 0 0 13 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.891 67.1 57.3 -63.2 -35.0 17.4 28.5 20.5 186 13 B S H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.963 111.9 41.7 -57.3 -49.4 13.9 29.2 18.9 187 14 B R H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.817 113.5 51.5 -66.8 -34.3 14.5 26.6 16.2 188 15 B H H X S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.952 110.0 50.4 -69.3 -44.6 16.2 24.2 18.6 189 16 B A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.951 110.3 50.5 -51.7 -51.7 13.1 24.4 20.9 190 17 B E H X S+ 0 0 86 -4,-2.5 4,-3.0 1,-0.3 -1,-0.3 0.866 108.2 52.5 -57.2 -38.1 10.9 23.8 17.9 191 18 B A H < S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.931 103.1 57.1 -68.0 -38.9 13.0 20.9 17.1 192 19 B L H < S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.0 40.2 -56.1 -37.7 12.6 19.6 20.7 193 20 B I H >< S+ 0 0 4 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.912 87.9 153.9 -75.7 -48.1 8.8 19.6 20.0 194 21 B G T 3< + 0 0 40 -4,-3.0 -1,-0.1 1,-0.2 -2,-0.1 -0.262 62.2 2.6 61.0-134.3 8.9 18.3 16.5 195 22 B D T 3 S+ 0 0 159 -4,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 0.300 79.5 154.6 -72.2 3.3 6.0 16.5 15.0 196 23 B A < - 0 0 7 -3,-1.2 52,-0.1 1,-0.1 53,-0.1 -0.073 44.4-133.3 -45.1 122.7 3.6 16.8 17.9 197 24 B P S S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.845 89.6 25.1 -41.3 -56.9 -0.1 16.6 16.8 198 25 B Q S S+ 0 0 42 49,-0.2 51,-1.8 29,-0.1 2,-0.4 -0.979 73.6 179.2-121.9 126.3 -1.3 19.6 18.8 199 26 B V E -ij 227 249B 7 27,-1.8 29,-3.2 -2,-0.5 2,-0.5 -0.955 17.0-156.4-127.8 145.8 0.9 22.4 19.8 200 27 B L E -ij 228 250B 37 49,-1.5 51,-2.4 -2,-0.4 2,-0.6 -0.972 10.2-157.2-121.8 116.3 0.2 25.5 21.7 201 28 B Y E -ij 229 251B 24 27,-3.4 29,-1.6 -2,-0.5 2,-0.7 -0.821 7.1-155.9 -91.1 119.6 2.7 28.3 21.1 202 29 B I E -ij 230 252B 0 49,-4.1 51,-4.0 -2,-0.6 2,-0.5 -0.912 10.1-168.3-104.8 118.9 2.7 30.7 24.0 203 30 B A E + j 0 253B 15 27,-3.4 51,-0.2 -2,-0.7 29,-0.2 -0.948 13.4 179.2-112.0 112.5 3.9 34.0 22.9 204 31 B T + 0 0 0 49,-1.7 50,-0.2 -2,-0.5 -1,-0.1 0.476 42.5 114.0 -89.0 -10.9 4.7 36.6 25.6 205 32 B S - 0 0 44 48,-0.6 2,-0.5 27,-0.1 -2,-0.1 -0.410 53.2-149.5 -72.6 148.3 5.8 39.5 23.5 206 33 B Q - 0 0 108 -2,-0.1 2,-1.3 51,-0.1 -2,-0.1 -0.958 21.8-128.9-108.4 123.0 3.9 42.7 23.4 207 34 B I + 0 0 66 -2,-0.5 6,-0.1 1,-0.1 -2,-0.0 -0.620 35.8 167.7 -81.9 97.2 4.3 44.4 20.1 208 35 B L + 0 0 89 -2,-1.3 2,-0.3 2,-0.0 -1,-0.1 -0.001 62.1 30.0 -97.3 32.6 5.3 48.0 20.9 209 36 B D S > S- 0 0 45 1,-0.1 4,-2.8 2,-0.0 5,-0.1 -0.933 75.8-115.8-177.5 156.7 6.3 48.9 17.3 210 37 B D H > S+ 0 0 83 -2,-0.3 4,-3.2 2,-0.2 5,-0.1 0.755 122.6 54.3 -70.0 -25.8 5.7 48.2 13.7 211 38 B E H > S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.912 111.8 41.4 -70.3 -47.6 9.3 46.9 13.8 212 39 B M H > S+ 0 0 42 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.839 120.5 45.4 -69.6 -35.4 8.4 44.6 16.6 213 40 B A H X S+ 0 0 34 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.917 109.2 54.1 -74.0 -44.1 5.1 43.8 14.9 214 41 B A H X S+ 0 0 66 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.826 109.7 48.7 -60.5 -33.0 6.6 43.3 11.5 215 42 B R H >X S+ 0 0 146 -4,-1.4 4,-1.1 1,-0.2 3,-0.8 0.857 98.8 61.9 -79.9 -31.2 9.1 40.8 12.8 216 43 B I H 3X S+ 0 0 33 -4,-1.2 4,-2.5 1,-0.3 -1,-0.2 0.828 94.3 74.1 -59.8 -24.4 6.6 38.7 14.7 217 44 B Q H 3X S+ 0 0 32 -4,-1.1 4,-3.3 1,-0.3 -1,-0.3 0.901 90.8 49.1 -52.6 -53.4 5.3 38.3 11.2 218 45 B H H < S+ 0 0 82 -4,-2.5 3,-3.4 1,-0.2 -2,-0.2 0.943 107.1 66.1 -60.0 -48.5 3.8 33.4 12.3 221 48 B D H 3< S+ 0 0 132 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.1 41.8 -46.3 -32.3 4.5 33.0 8.7 222 49 B G H 3< S+ 0 0 61 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.624 92.8 113.9 -93.2 -5.7 6.3 29.9 9.5 223 50 B R << - 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