==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-01 1I5E . COMPND 2 MOLECULE: URACIL PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CALDOLYTICUS; . AUTHOR A.KADZIOLA,J.NEUHARD,S.LARSEN . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 2 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 2 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 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 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 2 A G 0 0 42 0, 0.0 2,-0.3 0, 0.0 176,-0.1 0.000 360.0 360.0 360.0-167.5 -10.6 53.7 45.8 2 3 A K - 0 0 141 172,-0.1 176,-2.2 168,-0.0 2,-0.5 -0.643 360.0-143.7 -92.9 147.7 -8.3 50.7 46.4 3 4 A V E -a 178 0A 55 -2,-0.3 2,-0.5 174,-0.2 176,-0.2 -0.924 11.7-153.3-109.9 134.3 -4.5 50.8 46.8 4 5 A Y E -a 179 0A 90 174,-3.3 176,-2.5 -2,-0.5 2,-0.5 -0.933 2.5-157.3-110.1 124.6 -2.5 48.0 45.3 5 6 A V E -a 180 0A 76 -2,-0.5 2,-1.0 174,-0.2 176,-0.2 -0.891 8.8-146.9-102.6 125.2 0.9 47.1 46.9 6 7 A F + 0 0 22 174,-2.1 33,-0.0 -2,-0.5 -2,-0.0 -0.791 22.2 173.6 -93.8 101.9 3.3 45.3 44.6 7 8 A D + 0 0 108 -2,-1.0 -1,-0.1 4,-0.1 174,-0.1 0.070 17.1 149.3 -97.3 23.3 5.3 43.0 46.9 8 9 A H >> - 0 0 0 1,-0.2 4,-2.5 2,-0.1 3,-0.7 -0.350 54.8-124.9 -57.5 133.6 7.3 41.1 44.4 9 10 A P H 3> S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.747 109.8 56.2 -53.9 -25.5 10.6 40.1 46.0 10 11 A L H 3> S+ 0 0 10 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.893 108.4 45.8 -74.4 -39.1 12.5 41.8 43.1 11 12 A I H <> S+ 0 0 1 -3,-0.7 4,-3.1 2,-0.2 5,-0.2 0.977 113.9 49.2 -64.7 -52.9 10.8 45.1 43.6 12 13 A Q H X S+ 0 0 49 -4,-2.5 4,-1.8 1,-0.2 261,-0.4 0.898 112.1 50.1 -51.7 -44.4 11.4 44.8 47.4 13 14 A H H X S+ 0 0 45 -4,-2.1 4,-1.1 -5,-0.2 3,-0.3 0.973 114.5 41.1 -59.6 -58.2 15.0 44.0 46.8 14 15 A K H X S+ 0 0 30 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.837 108.9 61.3 -61.1 -33.7 15.7 46.9 44.4 15 16 A L H X S+ 0 0 9 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.928 97.9 59.4 -58.9 -44.8 13.6 49.3 46.6 16 17 A T H X S+ 0 0 6 -4,-1.8 4,-1.9 257,-0.4 -1,-0.2 0.890 108.5 42.0 -51.6 -46.3 16.1 48.7 49.4 17 18 A Y H < S+ 0 0 99 -4,-1.1 -1,-0.3 1,-0.2 6,-0.2 0.783 109.3 59.8 -75.4 -24.0 19.0 49.9 47.4 18 19 A I H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.899 110.2 42.5 -66.6 -40.9 16.9 52.8 46.1 19 20 A R H < S+ 0 0 17 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.888 87.6 105.7 -71.3 -43.9 16.4 54.0 49.7 20 21 A D >< - 0 0 34 -4,-1.9 3,-2.1 -5,-0.2 245,-0.2 -0.157 69.9-139.5 -44.2 120.0 19.9 53.5 51.0 21 22 A K T 3 S+ 0 0 92 243,-2.1 -1,-0.2 1,-0.3 244,-0.1 0.756 97.5 63.9 -56.3 -26.2 21.6 56.9 51.3 22 23 A N T 3 S+ 0 0 130 242,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.580 72.7 107.0 -79.1 -8.5 24.8 55.5 49.9 23 24 A T < - 0 0 9 -3,-2.1 0, 0.0 -6,-0.2 0, 0.0 -0.602 69.2-134.7 -73.9 119.5 23.4 54.7 46.5 24 25 A G > - 0 0 44 -2,-0.6 4,-2.5 1,-0.1 3,-0.3 -0.147 24.5 -96.7 -68.7 168.6 24.8 57.2 44.1 25 26 A T H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 119.8 54.4 -55.1 -43.1 22.7 59.1 41.5 26 27 A K H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 112.5 41.3 -61.5 -44.2 23.7 56.7 38.6 27 28 A E H > S+ 0 0 105 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.925 114.0 54.1 -68.2 -44.2 22.5 53.5 40.4 28 29 A F H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.975 109.0 47.9 -50.1 -62.3 19.4 55.3 41.7 29 30 A R H X S+ 0 0 105 -4,-2.7 4,-2.0 174,-0.4 -1,-0.2 0.902 116.2 43.5 -43.9 -56.2 18.4 56.4 38.2 30 31 A E H X S+ 0 0 93 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.834 112.7 52.2 -63.9 -35.5 18.9 52.9 36.8 31 32 A L H X S+ 0 0 16 -4,-3.2 4,-2.7 -3,-0.2 5,-0.2 0.896 108.3 50.2 -70.0 -39.5 17.3 51.1 39.7 32 33 A V H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.933 108.0 53.8 -63.8 -45.6 14.1 53.3 39.5 33 34 A D H X S+ 0 0 44 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.896 110.9 47.7 -54.7 -43.2 13.8 52.6 35.8 34 35 A E H X S+ 0 0 73 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.955 111.1 47.6 -64.1 -52.2 14.0 48.8 36.6 35 36 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.771 109.7 57.9 -61.4 -23.0 11.4 48.9 39.4 36 37 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.957 106.6 45.0 -71.1 -50.8 9.3 50.9 37.0 37 38 A T H X S+ 0 0 30 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.907 112.1 53.7 -58.7 -42.2 9.3 48.2 34.3 38 39 A L H X S+ 0 0 12 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.884 110.4 45.5 -61.4 -40.4 8.6 45.6 36.9 39 40 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.816 105.3 62.1 -72.0 -30.6 5.5 47.5 38.2 40 41 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.893 102.7 51.7 -61.0 -38.3 4.4 48.0 34.7 41 42 A F H < S+ 0 0 5 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.956 111.0 46.1 -62.6 -50.4 4.1 44.3 34.3 42 43 A E H >< S+ 0 0 21 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.881 113.9 48.2 -59.8 -42.2 2.0 43.9 37.5 43 44 A I H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.878 106.3 55.2 -70.1 -38.6 -0.3 46.7 36.6 44 45 A T G >< S+ 0 0 8 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.382 74.4 102.0 -77.4 5.7 -1.0 45.6 33.0 45 46 A R G < S+ 0 0 81 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.660 77.5 61.1 -62.5 -12.9 -2.1 42.2 34.2 46 47 A D G < + 0 0 106 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.1 0.860 67.2 130.2 -79.9 -44.3 -5.6 43.6 33.6 47 48 A L < - 0 0 20 -3,-0.6 2,-0.0 -4,-0.2 -3,-0.0 0.259 63.5-114.6 -19.8 119.5 -5.5 44.3 29.8 48 49 A P - 0 0 61 0, 0.0 19,-4.6 0, 0.0 2,-0.4 -0.334 26.5-139.6 -65.3 143.9 -8.6 42.8 28.2 49 50 A L E -F 66 0B 58 17,-0.3 2,-0.4 18,-0.1 17,-0.2 -0.879 14.6-170.0-111.6 140.1 -8.1 39.9 25.7 50 51 A E E -F 65 0B 118 15,-2.5 15,-2.5 -2,-0.4 2,-0.6 -0.957 23.4-127.7-122.1 140.0 -9.9 39.4 22.4 51 52 A E E +F 64 0B 87 -2,-0.4 13,-0.2 13,-0.2 2,-0.1 -0.837 29.4 174.1-106.2 122.9 -9.5 36.1 20.6 52 53 A V E -F 63 0B 53 11,-0.8 11,-1.5 -2,-0.6 2,-0.5 -0.399 32.0-111.7-103.5-178.5 -8.5 36.0 16.9 53 54 A E E +F 62 0B 127 9,-0.2 9,-0.2 -2,-0.1 2,-0.1 -0.952 37.9 172.0-124.5 111.1 -7.7 33.1 14.6 54 55 A I E -F 61 0B 16 7,-1.5 7,-2.2 -2,-0.5 2,-0.3 -0.392 26.7-128.7-104.6-173.2 -4.1 32.7 13.4 55 56 A E E -F 60 0B 72 5,-0.3 175,-2.0 -2,-0.1 5,-0.3 -0.854 17.8-159.5-145.5 103.8 -2.3 30.0 11.5 56 57 A T - 0 0 2 3,-1.9 173,-0.2 -2,-0.3 350,-0.1 -0.158 41.3 -96.2 -72.8 173.3 1.0 28.5 12.7 57 58 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.595 126.6 42.1 -67.6 -10.1 3.4 26.7 10.4 58 59 A V S S- 0 0 41 346,-0.5 2,-0.3 1,-0.4 347,-0.1 0.782 126.8 -35.5-105.3 -39.2 1.8 23.5 11.6 59 60 A S - 0 0 39 345,-0.4 -3,-1.9 346,-0.1 -1,-0.4 -0.966 69.7 -68.3-169.1-179.9 -2.0 24.2 11.7 60 61 A K E -F 55 0B 119 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.324 51.8-174.4 -76.9 168.1 -4.7 26.8 12.3 61 62 A A E -F 54 0B 12 -7,-2.2 -7,-1.5 343,-0.1 2,-0.7 -0.992 31.1-124.9-163.7 156.8 -5.2 28.1 15.9 62 63 A R E +F 53 0B 157 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.928 44.2 163.2-107.6 111.6 -7.3 30.2 18.2 63 64 A A E -F 52 0B 13 -11,-1.5 -11,-0.8 -2,-0.7 2,-0.3 -0.591 29.2-119.9-119.1-177.3 -5.1 32.6 20.0 64 65 A K E -F 51 0B 70 157,-0.4 161,-0.4 -13,-0.2 2,-0.3 -0.923 19.8-174.7-128.2 152.4 -5.6 35.9 22.0 65 66 A V E -F 50 0B 15 -15,-2.5 -15,-2.5 -2,-0.3 2,-0.3 -0.924 44.1 -74.7-138.4 162.8 -4.4 39.4 21.6 66 67 A I E -F 49 0B 36 -2,-0.3 -17,-0.3 -17,-0.2 3,-0.1 -0.467 48.8-113.4 -69.0 124.5 -4.7 42.5 23.7 67 68 A A - 0 0 29 -19,-4.6 -1,-0.1 -2,-0.3 -18,-0.1 0.588 49.3-110.6 -21.3 -41.2 -8.1 44.1 23.6 68 69 A G + 0 0 63 -20,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.673 57.7 149.0 94.7 98.3 -7.0 47.2 21.8 69 70 A K - 0 0 96 -3,-0.1 2,-0.4 56,-0.0 -1,-0.2 -0.964 45.0-107.1-156.6 156.4 -7.2 50.3 23.9 70 71 A K - 0 0 81 -2,-0.3 55,-2.0 53,-0.1 2,-0.3 -0.757 31.6-159.7 -96.3 135.1 -5.2 53.5 24.1 71 72 A L E -b 125 0A 23 -2,-0.4 24,-2.7 53,-0.2 2,-0.4 -0.871 5.3-162.0-116.0 148.2 -2.8 54.1 27.0 72 73 A G E -bc 126 95A 1 53,-2.1 55,-2.6 -2,-0.3 2,-0.5 -0.987 3.2-164.4-132.7 127.6 -1.4 57.3 28.4 73 74 A V E -bc 127 96A 1 22,-2.9 24,-2.1 -2,-0.4 55,-0.2 -0.944 12.6-178.9-109.7 123.4 1.7 57.7 30.6 74 75 A I E -b 128 0A 0 53,-2.4 55,-2.2 -2,-0.5 24,-0.2 -0.916 8.9-161.1-129.2 106.7 1.9 61.1 32.3 75 76 A P E -b 129 0A 0 0, 0.0 24,-1.1 0, 0.0 2,-0.7 -0.547 20.7-126.5 -82.7 150.8 4.9 61.9 34.6 76 77 A I B > -g 99 0C 3 53,-1.8 4,-1.4 -2,-0.2 5,-0.2 -0.878 54.3 -77.1 -96.2 113.6 4.6 64.8 37.1 77 78 A L T 4 S+ 0 0 82 22,-1.8 24,-0.2 -2,-0.7 2,-0.1 -0.229 98.0 1.7 -51.7 139.8 7.6 67.1 36.5 78 79 A R T >4 S+ 0 0 75 22,-0.1 3,-2.1 123,-0.1 4,-0.3 -0.809 130.8 29.7-106.3 -36.7 10.3 66.6 37.3 79 80 A A G >4 S+ 0 0 11 1,-0.3 3,-0.5 2,-0.2 -2,-0.2 0.553 105.4 80.9 -56.6 -4.1 11.0 63.3 39.2 80 81 A G G >< S+ 0 0 0 -4,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.823 76.4 65.7 -74.8 -28.9 8.2 61.8 37.2 81 82 A I G X> S+ 0 0 71 -3,-2.1 3,-1.7 1,-0.3 4,-0.6 0.778 82.9 78.9 -65.5 -20.7 10.2 61.2 34.1 82 83 A G G <4 S+ 0 0 18 -3,-0.5 -1,-0.3 -4,-0.3 -46,-0.2 0.635 99.7 39.8 -61.4 -12.4 12.3 58.7 36.0 83 84 A M G <> S+ 0 0 0 -3,-1.6 4,-0.7 -4,-0.1 -1,-0.3 0.234 94.7 82.7-120.9 11.3 9.6 56.1 35.6 84 85 A V H X> S+ 0 0 9 -3,-1.7 4,-2.6 2,-0.2 3,-1.2 0.980 89.5 44.1 -81.3 -62.9 8.3 56.7 32.0 85 86 A D H 3X S+ 0 0 104 -4,-0.6 4,-1.1 1,-0.3 -1,-0.1 0.788 108.9 61.3 -52.6 -31.4 10.7 54.8 29.7 86 87 A G H 3> S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.913 111.2 38.6 -62.2 -40.7 10.6 51.9 32.2 87 88 A I H XX S+ 0 0 2 -3,-1.2 4,-2.0 -4,-0.7 3,-0.8 0.857 108.7 62.2 -76.5 -37.3 6.8 51.6 31.5 88 89 A L H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.727 89.9 71.4 -62.1 -21.1 7.2 52.4 27.8 89 90 A K H 3< S+ 0 0 119 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.935 108.5 32.7 -60.3 -46.0 9.3 49.2 27.5 90 91 A L H << S+ 0 0 23 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.846 132.4 32.5 -79.0 -36.2 6.2 47.1 28.0 91 92 A I >< + 0 0 23 -4,-2.0 3,-0.6 1,-0.1 -1,-0.2 -0.687 63.0 163.4-124.9 78.9 3.7 49.5 26.3 92 93 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.707 75.4 61.0 -66.0 -21.9 5.6 51.3 23.5 93 94 A A T 3 S+ 0 0 84 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.1 0.807 78.6 105.7 -76.2 -32.2 2.3 52.4 21.9 94 95 A A S < S- 0 0 8 -3,-0.6 2,-0.3 1,-0.1 -22,-0.2 -0.123 71.8-123.7 -50.6 145.0 1.2 54.4 24.9 95 96 A K E -c 72 0A 96 -24,-2.7 -22,-2.9 23,-0.0 2,-0.5 -0.669 17.5-131.9 -94.4 150.3 1.4 58.2 24.5 96 97 A V E +c 73 0A 53 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.896 25.1 174.7-111.0 123.2 3.3 60.4 26.8 97 98 A G - 0 0 1 -24,-2.1 2,-0.3 -2,-0.5 20,-0.2 -0.902 15.1-146.2-121.5 151.8 2.0 63.6 28.4 98 99 A H E - H 0 116C 66 18,-1.6 18,-2.1 -2,-0.3 2,-0.4 -0.800 6.8-164.6-117.1 158.9 3.6 66.0 30.9 99 100 A I E -gH 76 115C 0 -24,-1.1 -22,-1.8 -2,-0.3 2,-0.3 -0.962 3.6-164.8-144.9 123.0 2.2 68.1 33.7 100 101 A G E - H 0 114C 4 14,-3.6 13,-1.9 -2,-0.4 14,-1.5 -0.782 6.5-164.0-105.3 151.8 4.0 70.9 35.5 101 102 A L E - H 0 112C 40 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.990 2.6-158.5-136.1 144.0 2.8 72.5 38.8 102 103 A Y E - H 0 111C 99 9,-2.1 9,-1.8 -2,-0.3 2,-0.4 -0.786 8.5-144.5-116.5 163.8 3.8 75.7 40.6 103 104 A R - 0 0 135 -2,-0.3 -2,-0.0 7,-0.2 3,-0.0 -0.995 10.4-143.2-130.7 134.1 3.4 76.6 44.3 104 105 A D > - 0 0 79 5,-0.4 3,-0.9 -2,-0.4 5,-0.1 -0.744 25.2-109.4-100.6 150.0 2.6 80.1 45.6 105 106 A P T 3 S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.824 110.6 29.6 -34.7 -65.1 4.0 81.7 48.8 106 107 A Q T 3 S+ 0 0 190 2,-0.0 2,-0.3 -3,-0.0 -2,-0.0 -0.521 100.1 103.3-106.1 66.3 1.0 81.6 51.1 107 108 A T < - 0 0 60 -3,-0.9 -4,-0.0 -2,-0.7 0, 0.0 -0.940 58.1-147.8-140.5 160.8 -0.8 78.5 49.8 108 109 A L S S+ 0 0 154 -2,-0.3 29,-0.1 1,-0.1 -1,-0.0 0.415 78.5 50.9-108.6 -1.6 -1.3 74.9 51.0 109 110 A K S S- 0 0 140 -5,-0.1 -5,-0.4 28,-0.0 -1,-0.1 -0.994 75.6-116.8-144.2 147.3 -1.6 73.3 47.6 110 111 A P - 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0 0 56 4,-1.1 3,-2.9 -2,-0.3 4,-0.1 -0.660 42.8 -82.9-110.5 174.6 2.0 14.9 14.8 398 190 B D T 3 S+ 0 0 170 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.726 129.4 51.5 -49.5 -25.8 3.8 12.0 13.1 399 191 B H T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.484 119.2-106.5 -92.8 -2.0 7.0 14.1 12.8 400 192 B G S < S+ 0 0 26 -3,-2.9 2,-0.3 1,-0.3 -56,-0.1 0.621 70.0 141.7 91.1 13.2 7.0 15.2 16.5 401 193 B Y - 0 0 82 -4,-0.1 -4,-1.1 -58,-0.1 -1,-0.3 -0.635 55.3-111.0 -88.6 146.5 5.9 18.8 16.1 402 194 B I E -V 396 0J 4 -2,-0.3 5,-0.4 5,-0.2 -6,-0.2 -0.559 41.8-106.0 -76.3 138.4 3.5 20.3 18.7 403 195 B V E S-V 395 0J 9 -8,-2.8 -9,-1.5 -2,-0.2 -8,-1.2 -0.949 100.4 -3.5-113.1 127.1 0.0 21.1 17.4 404 196 B P S S+ 0 0 15 0, 0.0 -346,-0.5 0, 0.0 -345,-0.4 -0.946 108.0 131.2 -72.2 -28.8 -0.8 23.9 16.8 405 197 B G S S- 0 0 0 1,-0.2 -2,-0.1 -347,-0.1 -346,-0.1 -0.127 72.0 -87.4 57.7-144.2 2.6 24.8 18.1 406 198 B L - 0 0 0 1,-0.4 -1,-0.2 -4,-0.2 2,-0.2 0.153 55.2-114.6-152.8 17.7 4.9 27.2 16.3 407 199 B G S S- 0 0 12 -5,-0.4 2,-1.1 -3,-0.3 -1,-0.4 -0.488 76.6 -5.7 80.8-149.5 7.0 25.0 13.9 408 200 B D >> - 0 0 59 1,-0.2 4,-2.3 -2,-0.2 3,-0.5 -0.697 58.4-162.2 -88.8 95.9 10.7 24.6 14.3 409 201 B A H 3> S+ 0 0 8 -2,-1.1 4,-2.3 1,-0.2 5,-0.2 0.857 88.5 53.5 -42.4 -48.0 11.9 26.9 17.1 410 202 B G H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.924 110.9 43.1 -57.7 -49.5 15.5 26.6 16.0 411 203 B D H <> S+ 0 0 70 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.894 114.4 50.2 -65.0 -41.9 14.9 27.6 12.3 412 204 B R H < S+ 0 0 31 -4,-2.3 -174,-0.4 2,-0.2 -1,-0.2 0.869 116.5 44.3 -63.4 -36.3 12.5 30.5 13.3 413 205 B L H < S+ 0 0 8 -4,-2.3 -2,-0.2 -5,-0.3 -175,-0.2 0.979 126.0 24.9 -72.7 -60.6 15.2 31.7 15.8 414 206 B F H < S- 0 0 74 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.689 90.2-137.7 -80.3 -20.0 18.4 31.6 13.9 415 207 B G S < S+ 0 0 48 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.1 0.686 78.5 74.2 69.1 15.3 16.8 31.8 10.4 416 208 B T 0 0 86 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.3 -0.950 360.0 360.0-151.6 167.5 19.3 29.1 9.4 417 209 B K 0 0 226 -2,-0.3 -6,-0.0 -3,-0.1 0, 0.0 -0.653 360.0 360.0 -86.4 360.0 20.0 25.4 9.8