==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 11-AUG-11 3TDM . COMPND 2 MOLECULE: COMPUTATIONALLY DESIGNED TWO-FOLD SYMMETRIC TIM-B . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR J.M.HARP,C.FORTENBERRY,E.BOWMAN,W.PROFITT,B.DORR,L.MIZOUE . 471 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 3 0 6 0 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 4 0 4 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 . 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 0 1 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 Q 0 0 123 0, 0.0 43,-0.1 0, 0.0 237,-0.0 0.000 360.0 360.0 360.0 65.9 -7.5 29.2 18.5 2 3 A A + 0 0 29 218,-0.1 219,-2.7 1,-0.1 2,-0.7 0.627 360.0 78.2 -77.0 -9.0 -8.5 27.5 21.6 3 4 A V E -a 221 0A 5 217,-0.2 41,-3.1 39,-0.1 42,-1.3 -0.862 59.4-178.8-107.6 110.2 -11.7 26.1 20.1 4 5 A V E -ab 222 45A 0 217,-3.4 219,-1.8 -2,-0.7 2,-0.6 -0.869 13.3-157.8-111.2 127.7 -11.2 23.0 17.9 5 6 A V E -ab 223 46A 0 40,-2.8 42,-2.0 -2,-0.5 2,-0.6 -0.959 13.5-151.0-105.0 121.5 -14.1 21.3 16.1 6 7 A A E - b 0 47A 6 217,-2.3 2,-0.6 -2,-0.6 42,-0.2 -0.816 9.9-167.3 -96.4 128.7 -13.3 17.8 15.3 7 8 A I E - b 0 48A 0 40,-3.1 42,-2.2 -2,-0.6 2,-0.5 -0.959 5.1-165.3-121.8 115.0 -15.0 16.3 12.2 8 9 A D E +Cb 19 49A 25 11,-0.7 11,-2.6 -2,-0.6 2,-0.3 -0.899 26.7 163.9 -90.9 123.4 -14.9 12.6 11.6 9 10 A A E +Cb 18 50A 0 40,-2.1 42,-2.6 -2,-0.5 43,-0.4 -0.962 17.9 166.5-140.4 158.8 -15.9 11.8 8.0 10 11 A K E -C 17 0A 62 7,-1.5 7,-2.6 -2,-0.3 2,-0.4 -0.954 45.7 -79.2-160.5 165.5 -15.9 9.2 5.3 11 12 A R E -C 16 0A 117 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.503 39.4-178.7 -68.7 119.4 -17.5 8.4 2.0 12 13 A V E > S-C 15 0A 46 3,-3.2 3,-1.0 -2,-0.4 -1,-0.0 -0.934 80.1 -14.3-119.7 108.2 -21.0 7.1 2.3 13 14 A D T 3 S- 0 0 160 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.970 132.0 -52.1 64.7 49.6 -22.4 6.3 -1.2 14 15 A G T 3 S+ 0 0 48 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.245 121.2 106.3 75.0 -17.4 -19.6 8.3 -2.8 15 16 A E E < S-C 12 0A 100 -3,-1.0 -3,-3.2 -5,-0.1 2,-0.7 -0.655 76.2-115.7-101.7 149.5 -20.4 11.3 -0.5 16 17 A F E -C 11 0A 12 -5,-0.3 15,-2.6 -2,-0.3 2,-0.3 -0.730 40.7-175.2 -86.0 118.1 -18.5 12.6 2.4 17 18 A M E -CD 10 30A 19 -7,-2.6 -7,-1.5 -2,-0.7 2,-0.3 -0.844 23.3-119.4-116.6 150.5 -20.7 12.2 5.5 18 19 A V E -C 9 0A 0 11,-2.4 9,-2.4 -2,-0.3 10,-0.5 -0.666 28.1-163.9 -89.5 137.7 -20.1 13.4 9.1 19 20 A F E -CD 8 26A 15 -11,-2.6 -11,-0.7 -2,-0.3 2,-0.2 -0.925 7.5-176.7-121.3 153.1 -20.0 10.8 11.9 20 21 A T E >> + D 0 25A 1 5,-1.9 5,-2.2 -2,-0.3 4,-0.8 -0.707 55.2 59.3-134.7-177.1 -20.3 11.1 15.6 21 22 A Y T >45S- 0 0 60 -2,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.984 133.6 -43.5 54.0 65.2 -20.1 8.7 18.6 22 23 A S T 345S- 0 0 60 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.863 112.2 -55.1 51.5 40.8 -16.5 7.6 17.9 23 24 A G T 345S+ 0 0 20 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.615 115.5 113.0 71.5 14.6 -17.2 7.2 14.3 24 25 A K T <<5 + 0 0 155 -3,-2.0 2,-0.5 -4,-0.8 -3,-0.2 0.713 62.3 59.2 -90.8 -21.6 -20.2 4.9 14.8 25 26 A K E < -D 20 0A 98 -5,-2.2 -5,-1.9 -4,-0.0 2,-0.7 -0.928 66.3-140.8-127.9 126.2 -23.1 7.0 13.6 26 27 A N E -D 19 0A 67 -2,-0.5 -7,-0.2 -7,-0.2 -17,-0.0 -0.625 11.8-164.6 -76.1 112.6 -23.9 8.6 10.3 27 28 A T E - 0 0 32 -9,-2.4 -1,-0.2 -2,-0.7 -8,-0.1 0.666 32.5-127.4 -70.8 -16.0 -25.4 12.0 11.3 28 29 A G E S+ 0 0 50 -10,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.368 70.6 124.6 77.2 -0.9 -26.8 12.3 7.7 29 30 A I E - 0 0 57 -11,-0.3 -11,-2.4 1,-0.0 -1,-0.3 -0.770 63.5-119.9 -93.6 134.5 -25.1 15.8 7.4 30 31 A L E >> -D 17 0A 57 -2,-0.4 4,-2.2 -13,-0.2 3,-0.7 -0.509 13.9-125.1 -72.3 137.5 -22.7 16.3 4.5 31 32 A L H 3> S+ 0 0 0 -15,-2.6 4,-2.5 1,-0.3 5,-0.2 0.855 109.2 57.3 -39.8 -52.0 -19.1 17.2 5.2 32 33 A R H 3> S+ 0 0 121 -16,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.859 108.6 43.0 -51.6 -50.0 -19.5 20.3 3.0 33 34 A D H <> S+ 0 0 87 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.851 113.3 52.3 -68.5 -37.6 -22.3 21.7 4.9 34 35 A W H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.930 105.6 52.6 -71.9 -40.7 -20.8 21.0 8.3 35 36 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.920 112.5 46.0 -58.9 -45.8 -17.4 22.6 7.6 36 37 A V H X S+ 0 0 55 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.932 114.0 47.7 -62.2 -49.7 -19.1 25.9 6.5 37 38 A E H X S+ 0 0 55 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.850 107.4 55.9 -60.9 -40.1 -21.5 26.0 9.4 38 39 A V H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-1.0 0.904 107.2 48.4 -65.3 -41.6 -18.8 25.2 12.0 39 40 A E H ><5S+ 0 0 61 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.954 110.2 52.4 -58.8 -46.1 -16.7 28.2 10.9 40 41 A K H 3<5S+ 0 0 159 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 105.4 57.8 -59.3 -31.1 -19.8 30.4 11.1 41 42 A R H 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.737 127.2 -94.6 -78.3 -17.5 -20.4 29.1 14.6 42 43 A G T <<5 + 0 0 33 -3,-1.2 -3,-0.2 -4,-1.0 -2,-0.1 0.521 62.6 163.5 117.7 11.6 -17.0 30.3 15.9 43 44 A A < - 0 0 6 -5,-2.4 -1,-0.2 1,-0.2 -39,-0.2 -0.323 23.8-159.9 -53.7 141.0 -14.8 27.2 15.5 44 45 A G + 0 0 18 -41,-3.1 2,-0.3 1,-0.4 -40,-0.2 0.693 69.8 1.5 -94.3 -21.7 -11.1 28.3 15.7 45 46 A E E -b 4 0A 0 -42,-1.3 -40,-2.8 29,-0.2 2,-0.5 -0.987 66.8-129.9-167.3 149.4 -9.6 25.2 14.0 46 47 A I E -be 5 76A 0 29,-2.9 31,-2.6 -2,-0.3 2,-0.7 -0.948 3.8-156.9-117.2 127.9 -10.8 22.0 12.4 47 48 A L E -be 6 77A 9 -42,-2.0 -40,-3.1 -2,-0.5 2,-0.7 -0.924 20.4-166.9-100.3 113.8 -9.4 18.6 13.2 48 49 A L E -be 7 78A 4 29,-3.0 31,-2.2 -2,-0.7 2,-0.4 -0.912 8.0-179.5-114.1 109.9 -10.3 16.6 10.0 49 50 A T E -be 8 79A 14 -42,-2.2 -40,-2.1 -2,-0.7 2,-0.7 -0.885 25.1-138.9-110.3 132.1 -10.0 12.9 10.3 50 51 A S E >> -b 9 0A 3 29,-1.9 4,-1.1 -2,-0.4 3,-0.6 -0.856 10.9-158.7 -87.5 118.7 -10.7 10.3 7.7 51 52 A I T 34 S+ 0 0 36 -42,-2.6 3,-0.3 -2,-0.7 -41,-0.2 0.877 88.6 56.4 -60.9 -47.9 -12.5 7.4 9.4 52 53 A D T 34 S+ 0 0 76 -43,-0.4 -1,-0.2 1,-0.2 -42,-0.1 0.770 112.7 39.1 -43.7 -39.6 -11.6 4.9 6.6 53 54 A R T X4 S+ 0 0 80 -3,-0.6 3,-2.1 26,-0.1 5,-0.5 0.586 80.6 120.7-106.7 -16.4 -7.9 5.5 7.0 54 55 A D T 3< S+ 0 0 41 -4,-1.1 3,-0.1 26,-0.3 -3,-0.0 -0.278 89.9 6.5 -48.1 126.5 -7.4 5.8 10.7 55 56 A G T 3 S+ 0 0 12 1,-0.2 2,-0.7 88,-0.1 -1,-0.3 0.302 105.1 105.0 82.6 -14.8 -5.0 3.2 11.9 56 57 A T X - 0 0 57 -3,-2.1 2,-3.2 3,-0.1 3,-0.5 -0.896 69.5-145.4 -94.1 116.8 -4.3 2.1 8.3 57 58 A K T 3 + 0 0 83 -2,-0.7 26,-0.1 1,-0.2 25,-0.1 -0.125 68.5 113.9 -80.4 54.3 -0.9 3.5 7.7 58 59 A S T 3 S- 0 0 70 -2,-3.2 -1,-0.2 -5,-0.5 24,-0.2 0.342 82.2 -84.9-109.8 7.4 -1.9 4.1 4.1 59 60 A G < - 0 0 3 22,-5.6 -1,-0.3 -3,-0.5 23,-0.2 0.043 48.9 -70.4 106.5 149.3 -2.0 7.9 3.9 60 61 A Y - 0 0 7 1,-0.1 2,-1.6 27,-0.1 21,-0.1 -0.227 56.2 -97.4 -62.7 158.6 -4.4 10.7 4.7 61 62 A D > + 0 0 7 19,-0.4 4,-2.1 18,-0.2 3,-0.2 -0.674 47.0 179.7 -81.1 87.1 -7.5 11.1 2.5 62 63 A T H > S+ 0 0 33 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.702 78.4 56.9 -66.2 -22.1 -5.9 13.9 0.4 63 64 A E H > S+ 0 0 86 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.888 106.7 50.5 -71.1 -40.6 -9.1 14.2 -1.7 64 65 A M H > S+ 0 0 2 -3,-0.2 4,-1.8 1,-0.2 3,-0.2 0.965 111.7 47.2 -59.4 -51.8 -10.9 14.9 1.5 65 66 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.906 112.6 49.3 -56.7 -40.8 -8.4 17.5 2.4 66 67 A R H < S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.5 50.2 -68.5 -32.7 -8.6 19.1 -1.1 67 68 A F H < S+ 0 0 61 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.813 115.5 42.3 -78.7 -26.2 -12.4 19.1 -1.0 68 69 A V H >X S+ 0 0 0 -4,-1.8 3,-2.2 -5,-0.2 4,-0.5 0.858 96.2 78.0 -85.2 -41.7 -12.5 20.8 2.4 69 70 A R G >< S+ 0 0 55 -4,-2.5 3,-0.8 1,-0.3 -2,-0.1 0.778 95.5 44.0 -38.0 -51.2 -9.7 23.4 1.9 70 71 A P G 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.652 105.8 66.8 -75.0 -10.5 -11.6 25.9 -0.2 71 72 A L G <4 S+ 0 0 43 -3,-2.2 2,-0.3 -4,-0.1 -2,-0.2 0.576 106.7 29.9 -85.9 -12.4 -14.6 25.6 2.2 72 73 A T << - 0 0 10 -3,-0.8 -36,-0.1 -4,-0.5 4,-0.1 -0.971 52.3-152.0-148.2 154.2 -13.0 27.2 5.2 73 74 A T + 0 0 111 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.380 69.8 110.4-100.7 -8.6 -10.3 29.8 6.1 74 75 A L S S- 0 0 21 1,-0.1 2,-0.2 -29,-0.0 -29,-0.2 -0.203 81.8 -94.7 -65.7 153.7 -9.6 27.9 9.3 75 76 A P - 0 0 33 0, 0.0 -29,-2.9 0, 0.0 2,-0.5 -0.547 42.7-150.1 -64.4 138.9 -6.5 26.0 10.2 76 77 A I E -e 46 0A 0 19,-0.3 21,-2.2 -2,-0.2 22,-1.9 -0.955 10.0-158.4-118.6 131.8 -6.9 22.3 9.3 77 78 A I E -ef 47 98A 0 -31,-2.6 -29,-3.0 -2,-0.5 2,-0.4 -0.946 16.4-145.7-103.5 119.6 -5.3 19.5 11.1 78 79 A A E +ef 48 99A 2 20,-2.8 22,-3.2 -2,-0.6 2,-0.3 -0.789 27.7 168.4 -87.2 132.6 -5.2 16.4 8.9 79 80 A S E +e 49 0A 15 -31,-2.2 -29,-1.9 -2,-0.4 -18,-0.2 -0.990 31.1 61.2-143.3 147.1 -5.6 13.2 10.9 80 81 A G S S+ 0 0 5 -2,-0.3 -19,-0.4 20,-0.3 -26,-0.3 0.664 92.1 29.5 105.1 101.0 -6.2 9.5 9.9 81 82 A G + 0 0 5 1,-0.3 -22,-5.6 -28,-0.2 2,-0.2 0.457 62.3 155.1 110.8 0.8 -4.0 7.4 7.8 82 83 A A + 0 0 9 18,-0.3 22,-0.5 -23,-0.2 -1,-0.3 -0.450 2.6 154.3 -70.9 128.1 -0.4 8.6 8.2 83 84 A G - 0 0 21 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.582 58.7 -9.7-128.4 -24.7 2.0 5.8 7.4 84 85 A K S >> S- 0 0 102 1,-0.0 3,-2.7 27,-0.0 4,-0.7 -0.985 82.0 -68.6-175.4 170.6 5.2 7.5 6.4 85 86 A M H >> S+ 0 0 20 1,-0.3 4,-1.5 -2,-0.3 3,-0.6 0.707 117.1 54.8 -45.5 -46.8 7.0 10.6 5.4 86 87 A E H 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.673 98.1 66.4 -70.1 -13.2 5.4 11.5 2.0 87 88 A H H <> S+ 0 0 14 -3,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.919 100.8 47.5 -69.6 -45.4 2.0 11.4 3.5 88 89 A F H <>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.6 0.956 111.9 47.9 -60.9 -50.0 -1.4 16.5 3.2 92 93 A F H ><5S+ 0 0 31 -4,-3.2 3,-1.6 1,-0.3 -2,-0.2 0.888 108.0 54.2 -60.9 -42.1 0.5 19.8 3.6 93 94 A L H 3<5S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.835 105.9 55.5 -61.0 -29.8 0.6 20.3 -0.1 94 95 A R T <<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.474 132.5 -81.9 -80.6 -7.3 -3.2 19.9 -0.2 95 96 A G T < 5S+ 0 0 19 -3,-1.6 -19,-0.3 -4,-0.4 -3,-0.2 0.322 78.5 143.1 120.5 -11.2 -3.9 22.6 2.3 96 97 A A < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.2 -19,-0.2 -0.437 32.4-164.0 -62.3 130.8 -3.4 20.9 5.7 97 98 A D S S+ 0 0 75 -21,-2.2 2,-0.3 1,-0.3 -20,-0.2 0.762 76.1 12.6 -82.8 -29.6 -1.9 23.4 8.2 98 99 A K E S-f 77 0A 23 -22,-1.9 -20,-2.8 -7,-0.1 2,-0.4 -0.975 70.5-143.5-141.5 154.6 -0.9 20.7 10.6 99 100 A V E -fg 78 125A 0 25,-2.3 27,-2.7 -2,-0.3 2,-0.3 -0.966 11.4-148.0-121.9 140.3 -0.7 16.9 10.4 100 101 A S E - g 0 126A 1 -22,-3.2 2,-0.4 -2,-0.4 -20,-0.3 -0.777 12.2-174.5-103.6 151.6 -1.5 14.4 13.2 101 102 A I E + g 0 127A 3 25,-1.5 27,-2.0 -2,-0.3 -18,-0.1 -0.998 20.3 144.2-142.4 139.8 0.1 11.0 13.8 102 103 A N S > S+ 0 0 22 -2,-0.4 4,-1.7 -20,-0.2 3,-0.3 0.397 71.7 38.8-128.3 -74.4 -0.8 8.3 16.3 103 104 A T H >> S+ 0 0 10 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.851 120.3 42.8 -59.3 -53.5 -0.4 4.7 15.2 104 105 A A H 3> S+ 0 0 6 -22,-0.5 4,-3.1 1,-0.2 -1,-0.3 0.825 112.3 55.5 -59.5 -36.6 2.7 5.1 13.2 105 106 A A H 34 S+ 0 0 0 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.800 106.3 50.5 -66.8 -27.0 4.3 7.3 15.8 106 107 A V H << S+ 0 0 17 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.849 120.8 36.6 -82.7 -31.9 3.7 4.7 18.5 107 108 A E H < S+ 0 0 77 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.944 133.4 22.6 -75.6 -76.5 5.4 2.2 16.3 108 109 A N >< + 0 0 76 -4,-3.1 3,-3.7 1,-0.2 4,-0.4 -0.506 65.2 176.7 -98.5 75.1 8.1 4.4 14.6 109 110 A P T >> S+ 0 0 26 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.713 75.6 71.0 -54.0 -18.8 8.7 7.3 17.0 110 111 A S H 3> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 -5,-0.1 0.590 82.2 72.5 -71.0 -10.4 11.5 8.5 14.7 111 112 A L H <> S+ 0 0 10 -3,-3.7 4,-2.7 2,-0.2 5,-0.3 0.888 92.3 55.9 -64.6 -42.2 8.8 9.5 12.3 112 113 A I H <> S+ 0 0 0 -3,-1.0 4,-2.2 -4,-0.4 -2,-0.2 0.941 111.3 43.7 -52.8 -48.2 8.0 12.4 14.7 113 114 A T H X S+ 0 0 51 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.918 110.9 55.1 -67.4 -42.9 11.6 13.5 14.4 114 115 A Q H X S+ 0 0 72 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.946 114.8 36.8 -59.8 -52.7 11.7 13.1 10.7 115 116 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.910 117.9 51.7 -68.8 -38.1 8.7 15.3 9.9 116 117 A A H X S+ 0 0 8 -4,-2.2 4,-3.5 -5,-0.3 -2,-0.2 0.963 109.5 48.6 -59.3 -55.5 9.5 17.8 12.6 117 118 A Q H < S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.778 114.1 49.1 -54.0 -33.7 13.1 18.3 11.5 118 119 A T H < S+ 0 0 17 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.816 120.8 31.0 -82.0 -39.9 11.9 18.8 7.9 119 120 A F H < 0 0 46 -4,-2.3 -2,-0.2 -3,-0.2 -3,-0.2 0.923 360.0 360.0 -76.9 -53.1 9.2 21.3 8.5 120 121 A G < 0 0 68 -4,-3.5 3,-0.5 -5,-0.3 4,-0.4 -0.178 360.0 360.0 66.0 360.0 10.7 23.0 11.5 121 !* 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 0.0 122 1 B S > 0 0 49 0, 0.0 3,-1.5 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 -43.2 7.6 21.4 14.0 123 2 B Q T 3 + 0 0 134 -3,-0.5 -7,-0.0 1,-0.3 42,-0.0 0.839 360.0 65.7 -62.1 -23.5 4.4 23.5 15.1 124 3 B A T 3 S+ 0 0 16 -4,-0.4 -25,-2.3 -8,-0.1 2,-0.6 0.427 85.3 86.3 -83.2 -1.5 3.0 21.6 12.3 125 4 B V E < -g 99 0A 0 -3,-1.5 41,-2.3 -27,-0.2 42,-1.2 -0.890 52.6-178.8-114.6 115.7 3.3 18.3 13.9 126 5 B V E -gh 100 167A 1 -27,-2.7 -25,-1.5 -2,-0.6 2,-0.6 -0.893 12.7-156.8-109.7 132.2 0.7 16.9 16.2 127 6 B V E -gh 101 168A 0 40,-2.5 42,-2.0 -2,-0.5 2,-0.5 -0.943 12.2-150.1-106.4 123.1 0.9 13.7 17.9 128 7 B A E - h 0 169A 5 -27,-2.0 2,-0.6 -2,-0.6 42,-0.2 -0.808 9.0-166.3 -88.9 123.8 -2.4 12.3 18.9 129 8 B I E - h 0 170A 0 40,-2.9 42,-2.8 -2,-0.5 2,-0.6 -0.944 3.7-164.8-111.7 114.4 -2.6 10.1 21.9 130 9 B D E + h 0 171A 26 -2,-0.6 11,-1.5 11,-0.5 2,-0.3 -0.848 25.3 176.4 -89.6 116.5 -5.7 8.0 22.5 131 10 B A E +Ih 140 172A 0 40,-3.1 42,-1.5 -2,-0.6 43,-0.5 -0.952 20.3 177.3-131.7 145.8 -5.7 6.8 26.1 132 11 B K E -I 139 0A 63 7,-1.1 7,-1.9 -2,-0.3 21,-0.1 -0.999 30.7-104.3-142.8 151.1 -7.7 4.9 28.8 133 12 B R + 0 0 116 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 0.081 33.7 169.3 -57.5 165.8 -7.4 3.8 32.4 134 13 B V S > S- 0 0 55 4,-0.0 3,-5.4 0, 0.0 -2,-0.0 -0.723 71.3 -4.7-176.3 126.0 -6.6 0.3 33.6 135 14 B D T 3 S- 0 0 163 1,-0.4 3,-0.1 -2,-0.2 -2,-0.0 0.499 132.9 -56.0 70.8 -6.3 -5.7 -1.0 37.0 136 15 B G T 3 S+ 0 0 46 1,-0.2 2,-0.4 0, 0.0 -1,-0.4 0.190 122.1 111.5 109.4 -7.1 -5.7 2.6 37.9 137 16 B E < - 0 0 72 -3,-5.4 2,-0.4 -5,-0.1 -1,-0.2 -0.876 66.4-123.0-117.7 137.5 -3.2 3.2 35.1 138 17 B F - 0 0 5 -2,-0.4 15,-2.7 -5,-0.2 16,-0.3 -0.469 30.2-174.3 -77.1 120.7 -3.2 5.0 31.7 139 18 B M E -IJ 132 152A 26 -7,-1.9 -7,-1.1 -2,-0.4 2,-0.5 -0.664 21.1-121.7-113.9 170.8 -2.3 3.1 28.5 140 19 B V E -I 131 0A 0 11,-0.9 9,-0.4 -2,-0.2 11,-0.3 -0.899 25.9-170.7-119.0 122.3 -1.9 4.0 24.9 141 20 B F - 0 0 14 -11,-1.5 -11,-0.5 -2,-0.5 2,-0.2 -0.661 1.8-169.7-114.4 152.0 -3.9 2.4 22.0 142 21 B T B >> +M 147 0B 0 5,-2.2 5,-1.7 -2,-0.2 4,-1.0 -0.656 56.9 58.8-131.7-171.6 -3.6 2.5 18.4 143 22 B Y H >>5S- 0 0 64 -2,-0.2 3,-3.1 1,-0.2 4,-0.6 0.919 132.3 -37.8 49.2 89.7 -5.6 1.4 15.5 144 23 B S H 345S- 0 0 48 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.712 112.3 -56.7 24.4 53.5 -8.7 3.5 16.2 145 24 B G H 345S+ 0 0 19 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.595 121.5 105.0 73.2 10.5 -8.6 3.0 20.0 146 25 B K H <<5 + 0 0 156 -3,-3.1 2,-0.9 -4,-1.0 -3,-0.2 0.942 58.9 57.9 -92.2 -61.9 -8.7 -0.7 19.4 147 26 B K B <> -J 139 0A 59 -13,-0.2 4,-1.9 1,-0.2 3,-1.2 -0.576 13.0-134.4 -82.6 147.7 2.1 3.9 29.9 153 32 B L H >> S+ 0 0 0 -15,-2.7 4,-2.3 1,-0.3 3,-0.8 0.964 104.2 60.8 -62.9 -50.4 0.7 7.3 29.0 154 33 B R H 34 S+ 0 0 105 1,-0.3 -1,-0.3 -16,-0.3 4,-0.2 0.571 111.7 41.3 -59.5 -7.1 3.0 9.0 31.5 155 34 B D H <> S+ 0 0 93 -3,-1.2 4,-1.7 2,-0.1 -1,-0.3 0.655 110.3 54.4-108.8 -23.8 5.9 7.7 29.5 156 35 B W H S+ 0 0 55 -5,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.924 111.5 48.3 -70.7 -45.4 7.4 12.4 27.7 159 38 B E H X S+ 0 0 48 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.772 105.5 59.4 -66.0 -27.1 8.8 10.6 24.8 160 39 B V H <>S+ 0 0 0 -4,-1.6 5,-1.6 2,-0.2 4,-0.3 0.900 107.1 45.3 -73.4 -39.6 6.7 12.5 22.4 161 40 B E H ><5S+ 0 0 57 -4,-1.2 3,-1.8 2,-0.2 -2,-0.2 0.942 111.3 53.6 -65.9 -45.2 8.1 15.8 23.5 162 41 B K H 3<5S+ 0 0 156 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.926 105.3 54.6 -54.0 -49.1 11.6 14.5 23.3 163 42 B R T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.539 123.0-103.0 -69.4 -7.8 11.1 13.4 19.8 164 43 B G T < 5 + 0 0 24 -3,-1.8 -3,-0.2 -4,-0.3 -39,-0.1 0.582 58.0 160.0 106.6 9.4 10.0 16.8 18.7 165 44 B A < - 0 0 5 -5,-1.6 -1,-0.2 1,-0.1 -39,-0.2 -0.223 33.3-144.1 -60.5 153.5 6.3 17.0 18.3 166 45 B G S S- 0 0 9 -41,-2.3 2,-0.3 1,-0.3 -40,-0.2 0.763 72.4 -0.9 -88.3 -26.8 4.7 20.3 18.4 167 46 B E E -h 126 0A 2 -42,-1.2 -40,-2.5 29,-0.2 2,-0.5 -0.994 62.2-125.1-166.5 149.1 1.5 19.6 20.1 168 47 B I E -hk 127 198A 0 29,-2.6 31,-3.1 -2,-0.3 2,-0.9 -0.929 3.9-157.6-113.5 123.2 -0.5 16.8 21.7 169 48 B L E -hk 128 199A 9 -42,-2.0 -40,-2.9 -2,-0.5 2,-0.8 -0.860 21.6-165.0 -84.7 104.6 -4.0 15.8 20.9 170 49 B L E -hk 129 200A 3 29,-2.3 31,-1.9 -2,-0.9 2,-0.5 -0.810 8.8-177.3-100.0 105.2 -4.9 14.0 24.1 171 50 B T E -hk 130 201A 12 -42,-2.8 -40,-3.1 -2,-0.8 2,-0.8 -0.892 21.9-144.9-106.4 126.8 -8.1 11.9 23.6 172 51 B S E >> -h 131 0A 2 29,-1.8 4,-1.3 -2,-0.5 3,-0.9 -0.781 8.8-160.2 -83.0 106.5 -9.8 9.9 26.4 173 52 B I T 34 S+ 0 0 34 -42,-1.5 -1,-0.2 -2,-0.8 -41,-0.2 0.834 89.0 56.2 -52.4 -35.9 -11.2 6.7 24.7 174 53 B D T 34 S+ 0 0 82 -43,-0.5 -1,-0.2 1,-0.2 -42,-0.1 0.730 112.0 40.2 -74.5 -24.2 -13.6 6.2 27.6 175 54 B R T X4 S+ 0 0 78 -3,-0.9 3,-1.6 26,-0.1 5,-0.4 0.645 83.4 114.8 -97.4 -19.5 -15.2 9.6 27.3 176 55 B D T 3< S+ 0 0 37 -4,-1.3 3,-0.1 26,-0.3 -5,-0.0 -0.266 87.9 10.2 -61.9 137.9 -15.5 10.0 23.5 177 56 B G T 3 S+ 0 0 9 1,-0.3 -1,-0.3 27,-0.1 2,-0.2 0.106 105.3 100.4 81.3 -27.0 -19.1 10.1 22.3 178 57 B T < - 0 0 54 -3,-1.6 -1,-0.3 1,-0.1 25,-0.3 -0.563 68.9-147.6 -80.7 156.9 -20.4 10.4 25.8 179 58 B K + 0 0 87 -2,-0.2 25,-0.1 1,-0.1 3,-0.1 -0.261 66.1 116.6-113.4 44.7 -21.3 14.0 26.4 180 59 B S S S- 0 0 70 -5,-0.4 24,-0.2 1,-0.3 -1,-0.1 0.406 83.3 -78.2-103.2 2.7 -20.3 13.4 30.1 181 60 B G - 0 0 4 22,-3.1 -1,-0.3 -3,-0.2 23,-0.1 -0.187 52.2 -75.2 118.9 151.9 -17.3 15.7 30.4 182 61 B Y - 0 0 6 27,-0.2 2,-1.6 -2,-0.1 21,-0.1 -0.385 56.6 -96.7 -67.8 159.2 -13.7 15.5 29.4 183 62 B D > + 0 0 17 19,-0.4 4,-1.9 18,-0.2 3,-0.3 -0.640 47.3 178.4 -80.3 86.0 -11.5 13.3 31.5 184 63 B T H > S+ 0 0 42 -2,-1.6 4,-2.7 1,-0.2 5,-0.2 0.731 76.0 57.9 -70.3 -22.0 -10.1 16.0 33.7 185 64 B E H > S+ 0 0 86 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.894 105.7 48.7 -68.4 -40.9 -8.0 13.5 35.7 186 65 B M H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.959 116.4 45.3 -63.9 -44.1 -6.2 12.4 32.6 187 66 B I H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.954 112.8 46.9 -60.4 -51.8 -5.6 16.1 31.7 188 67 B R H < S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 115.3 51.6 -64.9 -28.6 -4.5 17.2 35.2 189 68 B F H < S+ 0 0 49 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.936 111.2 41.2 -64.6 -52.3 -2.4 14.2 35.2 190 69 B V H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.673 96.9 80.7 -79.6 -22.1 -0.6 14.6 31.8 191 70 B R G >< S+ 0 0 57 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.862 87.4 50.3 -61.1 -46.9 0.0 18.3 32.2 192 71 B P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.780 102.4 65.7 -66.5 -20.1 3.1 18.4 34.5 193 72 B L G < S+ 0 0 53 -3,-0.7 2,-0.3 -4,-0.3 -2,-0.2 0.402 106.9 31.4 -75.7 -0.8 4.8 15.9 32.2 194 73 B T < - 0 0 11 -3,-1.4 -36,-0.1 -4,-0.1 4,-0.1 -0.994 49.4-153.1-159.1 146.8 5.1 18.2 29.2 195 74 B T + 0 0 116 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.388 68.7 107.3 -98.3 -5.4 5.5 21.8 28.0 196 75 B L S S- 0 0 22 1,-0.1 -29,-0.2 -5,-0.0 2,-0.2 -0.361 82.9 -97.6 -69.3 155.4 3.7 21.2 24.6 197 76 B P - 0 0 44 0, 0.0 -29,-2.6 0, 0.0 2,-0.5 -0.490 39.7-144.5 -69.1 151.7 0.3 22.6 24.2 198 77 B I E -k 168 0A 0 19,-0.3 21,-2.4 -31,-0.2 22,-1.9 -0.954 8.9-156.0-124.9 128.3 -2.4 20.0 24.8 199 78 B I E -kl 169 220A 2 -31,-3.1 -29,-2.3 -2,-0.5 2,-0.3 -0.919 19.2-146.2 -98.6 113.2 -5.7 19.7 22.9 200 79 B A E +kl 170 221A 1 20,-2.4 22,-2.3 -2,-0.7 2,-0.4 -0.640 25.1 174.7 -79.5 138.6 -8.2 17.9 25.2 201 80 B S E +kl 171 222A 14 -31,-1.9 -29,-1.8 -2,-0.3 -18,-0.2 -1.000 28.9 55.5-145.4 141.9 -10.7 15.7 23.3 202 81 B G S S+ 0 0 5 20,-0.5 -19,-0.4 -2,-0.4 -26,-0.3 0.457 90.4 31.2 108.9 113.1 -13.4 13.3 24.1 203 82 B G + 0 0 5 -25,-0.3 -22,-3.1 1,-0.3 -27,-0.1 0.335 64.0 158.1 102.3 -7.9 -16.5 13.7 26.2 204 83 B A + 0 0 8 18,-0.3 22,-0.5 -24,-0.2 -1,-0.3 -0.251 5.7 149.6 -57.8 134.1 -17.4 17.4 25.7 205 84 B G + 0 0 22 1,-0.5 2,-0.3 -26,-0.1 -1,-0.1 0.597 55.0 6.3-140.1 -24.0 -21.0 17.9 26.5 206 85 B K S >> S- 0 0 107 27,-0.0 3,-1.2 1,-0.0 4,-0.8 -0.953 81.6 -85.1-164.7 170.1 -21.8 21.4 27.9 207 86 B M H 3> S+ 0 0 49 -2,-0.3 4,-1.0 1,-0.3 3,-0.4 0.782 118.5 55.7 -61.6 -37.2 -20.1 24.7 28.5 208 87 B E H 3> S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.751 96.7 68.1 -71.2 -24.0 -18.6 24.0 32.0 209 88 B H H <> S+ 0 0 15 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.915 100.2 47.7 -57.0 -45.2 -16.8 20.9 30.5 210 89 B F H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.2 0.852 111.8 50.9 -59.2 -38.2 -14.6 23.2 28.5 211 90 B L H X S+ 0 0 74 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.944 108.9 49.2 -74.0 -49.1 -13.9 25.4 31.5 212 91 B E H X S+ 0 0 82 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.901 111.1 51.5 -51.5 -43.1 -12.9 22.5 33.6 213 92 B A H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -2,-0.2 0.895 110.3 47.4 -67.7 -39.8 -10.6 21.2 30.9 214 93 B F H ><5S+ 0 0 58 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.844 109.4 55.6 -63.7 -35.9 -8.8 24.6 30.5 215 94 B L H 3<5S+ 0 0 138 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.841 102.8 53.9 -71.2 -30.7 -8.5 24.8 34.3 216 95 B R T 3<5S- 0 0 101 -4,-1.6 -1,-0.3 -5,-0.2 -25,-0.2 0.468 133.0 -91.6 -80.0 -0.5 -6.7 21.5 34.4 217 96 B G T < 5S+ 0 0 19 -3,-1.1 -19,-0.3 1,-0.3 -3,-0.2 0.440 72.7 150.1 106.2 -1.0 -4.3 22.9 31.8 218 97 B A < - 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