==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-JUL-10 2XMN . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN TOLC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.Y.PEI,E.KORONAKIS,C.HUGHES,V.KORONAKIS . 1284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1087 84.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 186 14.5 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 . 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 . 36 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 734 57.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 3 3 0 3 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 12 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 6 3 0 3 0 0 0 0 0 0 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 E 0 0 71 0, 0.0 2,-0.1 0, 0.0 189,-0.0 0.000 360.0 360.0 360.0 173.2 18.5 60.0 81.1 2 2 A N > - 0 0 37 191,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.242 360.0 -89.9 -85.8 179.9 21.5 58.9 79.0 3 3 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.968 124.5 50.8 -53.8 -56.4 22.1 55.6 77.3 4 4 A M H > S+ 0 0 12 1,-0.2 4,-3.2 408,-0.2 5,-0.3 0.918 109.8 48.3 -46.6 -58.5 23.9 54.1 80.4 5 5 A Q H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.818 113.7 47.3 -59.3 -33.6 21.2 55.0 82.9 6 6 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.4 3,-0.4 0.991 114.2 46.3 -68.8 -60.5 18.4 53.6 80.6 7 7 A Y H >X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 3,-0.8 0.909 111.9 51.7 -42.2 -57.1 20.3 50.4 79.9 8 8 A Q H 3X S+ 0 0 67 -4,-3.2 4,-1.2 1,-0.3 -1,-0.2 0.867 108.4 49.9 -55.2 -42.5 21.2 49.9 83.6 9 9 A Q H 3< S+ 0 0 75 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.792 112.4 49.4 -67.0 -26.8 17.6 50.3 84.7 10 10 A A H XX S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.8 3,-1.8 0.840 100.8 63.4 -78.0 -34.5 16.6 47.8 82.1 11 11 A R H 3< S+ 0 0 83 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.881 104.2 48.9 -53.9 -37.4 19.3 45.3 83.2 12 12 A L T 3< S+ 0 0 108 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.504 125.0 25.2 -82.9 -3.6 17.5 45.1 86.6 13 13 A S T <4 S+ 0 0 29 -3,-1.8 -2,-0.2 172,-0.1 -1,-0.2 0.522 73.6 128.4-138.9 -11.2 14.0 44.5 85.2 14 14 A N X - 0 0 11 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.367 38.2-163.6 -63.9 108.9 14.1 42.9 81.7 15 15 A P H > S+ 0 0 1 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.565 89.4 61.2 -71.4 -5.2 11.8 39.9 82.0 16 16 A E H > S+ 0 0 100 2,-0.2 4,-1.8 169,-0.1 5,-0.1 0.921 112.7 33.2 -80.9 -49.1 13.3 38.7 78.9 17 17 A L H > S+ 0 0 11 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.772 115.3 58.7 -77.4 -27.8 16.8 38.5 80.4 18 18 A R H X S+ 0 0 116 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.861 107.2 47.8 -71.4 -34.1 15.5 37.6 83.8 19 19 A K H X S+ 0 0 57 -4,-0.7 4,-1.9 -5,-0.2 3,-0.4 0.958 106.8 55.1 -67.7 -49.6 13.8 34.5 82.3 20 20 A S H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.809 108.2 52.8 -50.1 -29.8 17.0 33.5 80.5 21 21 A A H X S+ 0 0 15 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.888 104.6 51.8 -73.5 -41.5 18.6 33.6 83.9 22 22 A A H X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.789 109.2 52.4 -67.1 -27.4 16.0 31.3 85.5 23 23 A D H X S+ 0 0 48 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.890 111.7 45.0 -71.7 -42.2 16.7 28.9 82.7 24 24 A R H X S+ 0 0 59 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.910 112.4 53.1 -63.3 -43.9 20.4 29.0 83.4 25 25 A D H X S+ 0 0 53 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.876 110.8 46.0 -63.6 -40.2 19.8 28.7 87.1 26 26 A A H X S+ 0 0 22 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.930 108.9 53.9 -68.2 -47.1 17.7 25.6 86.7 27 27 A A H < S+ 0 0 17 -4,-2.1 4,-0.3 1,-0.2 64,-0.3 0.878 111.2 46.8 -58.1 -37.5 20.1 23.8 84.3 28 28 A F H >X S+ 0 0 89 -4,-1.9 3,-1.1 1,-0.2 4,-0.5 0.901 112.1 48.9 -71.8 -39.3 22.9 24.3 86.8 29 29 A E H >X S+ 0 0 26 -4,-1.8 3,-1.4 1,-0.2 4,-0.7 0.881 101.0 66.2 -63.6 -37.7 20.8 23.1 89.8 30 30 A K H 3X S+ 0 0 67 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.600 82.8 74.4 -65.1 -12.4 19.7 20.1 87.7 31 31 A I H X> S+ 0 0 21 -3,-1.1 4,-1.8 -4,-0.3 3,-0.9 0.952 93.4 55.8 -58.3 -47.5 23.4 18.9 87.8 32 32 A N H < S+ 0 0 96 -4,-1.8 3,-2.4 -3,-0.5 4,-0.2 0.774 91.6 84.9 -77.7 -24.3 24.5 13.4 90.5 36 36 A S G >< S+ 0 0 3 -4,-1.4 3,-2.2 1,-0.3 -1,-0.2 0.771 77.3 60.3 -58.9 -35.8 21.9 11.9 92.7 37 37 A P G 3 S+ 0 0 45 0, 0.0 37,-0.4 0, 0.0 -1,-0.3 0.589 97.9 62.7 -68.5 -7.8 21.8 8.3 91.4 38 38 A L G < S+ 0 0 25 -3,-2.4 -2,-0.2 42,-0.1 686,-0.1 0.388 99.1 72.7 -91.2 0.2 25.5 8.0 92.3 39 39 A L S < S- 0 0 49 -3,-2.2 35,-0.4 -4,-0.2 2,-0.3 -0.571 100.3 -71.9-108.7 174.2 24.6 8.5 95.9 40 40 A P - 0 0 47 0, 0.0 684,-0.7 0, 0.0 2,-0.5 -0.504 39.1-152.0 -72.5 129.2 22.9 6.3 98.5 41 41 A Q E -AB 72 723A 35 31,-2.3 31,-2.2 -2,-0.3 2,-0.5 -0.881 15.6-171.2 -97.1 129.4 19.2 5.7 97.9 42 42 A L E +AB 71 722A 48 680,-3.1 680,-1.9 -2,-0.5 679,-1.7 -0.894 9.7 167.0-135.6 105.3 17.4 5.0 101.2 43 43 A G E -AB 70 720A 23 27,-1.9 27,-1.0 -2,-0.5 2,-0.4 -0.573 25.2-142.6-115.7 172.4 13.8 3.8 101.5 44 44 A L E +AB 69 719A 57 675,-1.7 675,-3.5 25,-0.2 2,-0.4 -0.952 19.6 177.3-139.5 116.9 11.3 2.4 104.0 45 45 A G E -AB 68 718A 13 23,-1.8 23,-2.0 -2,-0.4 2,-0.4 -0.968 8.8-179.9-123.7 135.2 8.6 -0.3 103.1 46 46 A A E -AB 67 717A 34 671,-1.9 671,-1.8 -2,-0.4 2,-0.5 -0.998 10.2-168.5-127.9 128.2 6.1 -2.0 105.3 47 47 A D E -AB 66 716A 49 19,-2.4 19,-1.0 -2,-0.4 2,-0.4 -0.877 7.1-168.3-126.9 100.7 3.7 -4.6 103.8 48 48 A Y E +AB 65 715A 94 667,-1.1 667,-2.5 -2,-0.5 2,-0.4 -0.678 17.8 178.7 -72.9 134.6 0.7 -6.0 105.5 49 49 A T E -AB 64 714A 46 15,-2.9 15,-3.1 -2,-0.4 2,-0.6 -0.989 20.4-162.4-142.9 135.0 -0.8 -9.0 103.7 50 50 A Y E -AB 63 713A 64 663,-2.9 663,-1.1 -2,-0.4 2,-0.3 -0.931 13.5-169.3-116.2 110.9 -3.7 -11.3 104.4 51 51 A S E -AB 62 712A 14 11,-1.9 11,-2.0 -2,-0.6 2,-0.3 -0.683 5.9-164.0 -93.9 153.9 -3.8 -14.6 102.4 52 52 A N E -AB 61 711A 54 659,-1.6 659,-2.0 -2,-0.3 9,-0.2 -0.851 16.8-140.8-140.4 100.6 -6.8 -17.0 102.4 53 53 A G E + B 0 710A 2 7,-2.5 6,-0.9 -2,-0.3 2,-0.3 -0.245 24.0 169.3 -66.9 141.4 -6.2 -20.6 101.1 54 54 A Y + 0 0 64 655,-2.6 3,-0.4 4,-0.2 655,-0.3 -0.896 53.4 19.6-140.5 173.9 -8.5 -22.6 98.9 55 55 A R S > S+ 0 0 99 -2,-0.3 3,-3.8 1,-0.2 653,-0.2 -0.455 139.5 2.6 60.5-138.0 -8.1 -25.9 97.1 56 56 A D T 3 S+ 0 0 79 651,-2.0 -1,-0.2 1,-0.3 652,-0.2 0.379 144.5 49.6 -54.4 9.2 -5.1 -27.9 98.5 57 57 A A T > S+ 0 0 2 -3,-0.4 3,-2.9 650,-0.2 2,-0.4 0.235 71.7 140.0-133.2 7.1 -5.0 -25.0 100.9 58 58 A N T < S+ 0 0 116 -3,-3.8 -4,-0.2 1,-0.3 207,-0.2 -0.412 79.8 23.6 -51.6 107.7 -8.7 -24.8 101.9 59 59 A G T 3 S+ 0 0 8 -6,-0.9 2,-0.6 -2,-0.4 -1,-0.3 0.413 94.8 108.5 109.2 -0.7 -8.3 -24.1 105.6 60 60 A I < + 0 0 27 -3,-2.9 -7,-2.5 203,-0.2 2,-0.3 -0.952 41.9 167.1-107.2 119.2 -4.8 -22.5 105.6 61 61 A N E -AC 52 262A 26 201,-1.8 201,-2.0 -2,-0.6 2,-0.3 -0.936 12.2-166.8-129.5 153.7 -5.0 -18.7 106.2 62 62 A S E -AC 51 261A 18 -11,-2.0 -11,-1.9 -2,-0.3 2,-0.5 -1.000 19.4-162.7-145.7 141.6 -2.3 -16.2 107.1 63 63 A N E -A 50 0A 55 197,-2.5 197,-0.4 -2,-0.3 2,-0.3 -0.955 29.8-178.5-117.6 107.5 -1.9 -12.6 108.3 64 64 A A E -A 49 0A 24 -15,-3.1 -15,-2.9 -2,-0.5 2,-0.4 -0.797 13.4-173.2-113.4 152.1 1.6 -11.4 107.5 65 65 A T E +A 48 0A 63 -2,-0.3 193,-3.0 -17,-0.2 2,-0.3 -0.989 7.8 171.2-145.0 127.0 3.5 -8.2 108.2 66 66 A S E +AD 47 257A 40 -19,-1.0 -19,-2.4 -2,-0.4 2,-0.3 -0.957 6.1 178.3-135.9 158.3 6.9 -7.1 107.0 67 67 A A E +AD 46 256A 37 189,-1.3 189,-1.8 -2,-0.3 2,-0.3 -0.966 8.2 179.0-153.1 153.8 8.9 -3.9 107.1 68 68 A S E -AD 45 255A 25 -23,-2.0 -23,-1.8 -2,-0.3 2,-0.7 -0.991 31.5-136.3-160.9 149.1 12.4 -3.0 105.9 69 69 A L E -A 44 0A 75 185,-0.7 2,-0.3 -2,-0.3 -25,-0.2 -0.908 37.3-166.9-108.2 97.7 15.0 -0.3 105.6 70 70 A Q E -A 43 0A 101 -27,-1.0 -27,-1.9 -2,-0.7 2,-0.4 -0.652 9.6-173.2 -91.5 145.9 16.3 -0.7 102.1 71 71 A L E -AE 42 252A 48 181,-1.2 181,-1.9 -2,-0.3 2,-0.3 -0.993 2.6-170.4-138.2 129.4 19.5 0.9 100.7 72 72 A T E -AE 41 251A 57 -31,-2.2 -31,-2.3 -2,-0.4 2,-0.3 -0.896 3.4-176.8-116.5 150.9 20.9 0.9 97.2 73 73 A Q E - E 0 250A 44 177,-2.0 177,-2.4 -2,-0.3 2,-0.3 -0.911 25.0-131.7-149.3 118.9 24.2 2.1 96.0 74 74 A S E + E 0 249A 12 -37,-0.4 175,-0.2 -35,-0.4 3,-0.1 -0.524 28.1 172.3 -66.3 130.3 25.6 2.3 92.4 75 75 A I E S+ 0 0 82 173,-1.9 174,-0.2 -2,-0.3 2,-0.2 0.750 75.3 1.8-109.0 -42.9 29.1 0.8 92.6 76 76 A F E S+ E 0 248A 88 172,-2.5 172,-1.7 4,-0.0 2,-0.4 -0.653 74.9 141.1-145.7 94.6 29.9 0.8 88.9 77 77 A D >> - 0 0 19 170,-0.2 3,-1.5 -2,-0.2 4,-1.0 -0.840 23.2-174.1-132.1 92.8 27.3 2.2 86.5 78 78 A M H >> S+ 0 0 55 -2,-0.4 4,-2.0 168,-0.4 3,-0.8 0.878 82.5 63.6 -57.9 -37.5 29.0 4.1 83.7 79 79 A S H 3> S+ 0 0 60 1,-0.3 4,-1.3 163,-0.2 -1,-0.3 0.779 101.0 50.8 -58.0 -30.0 25.6 5.2 82.4 80 80 A K H <> S+ 0 0 59 -3,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.751 108.9 50.4 -82.2 -27.4 24.9 7.2 85.6 81 81 A W H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.964 106.7 53.2 -61.2 -49.9 25.3 25.5 77.1 94 94 A Q H 3X S+ 0 0 50 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.832 107.3 55.1 -55.0 -31.0 22.5 27.3 78.9 95 95 A D H 3X S+ 0 0 46 -4,-1.6 4,-2.7 2,-0.2 -1,-0.3 0.848 105.3 48.9 -74.1 -35.8 25.2 29.7 80.2 96 96 A V H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 3,-0.9 0.992 113.9 47.7 -53.0 -65.0 6.3 73.3 58.4 131 131 A E H 3X S+ 0 0 113 -4,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.779 111.1 51.4 -49.9 -36.8 7.3 76.6 60.1 132 132 A A H 3X S+ 0 0 10 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.836 108.6 51.1 -72.1 -33.8 9.5 77.6 57.1 133 133 A I H S+ 0 0 49 2,-0.1 5,-0.9 4,-0.1 6,-0.2 0.454 107.8 55.7-123.1 -22.4 2.5 89.3 46.8 144 144 A F T > 5S+ 0 0 72 -4,-0.2 3,-2.2 2,-0.2 5,-0.3 0.884 104.0 55.9 -71.1 -41.6 -0.5 87.6 45.1 145 145 A N T 3 5S+ 0 0 125 1,-0.3 -1,-0.2 -4,-0.2 -3,-0.1 0.794 105.3 53.2 -56.3 -29.2 -2.7 90.4 46.7 146 146 A V T 3 5S- 0 0 107 1,-0.0 -1,-0.3 3,-0.0 -2,-0.2 0.243 118.0-116.5 -97.7 10.1 -0.4 92.8 44.9 147 147 A G T < 5S+ 0 0 63 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.057 85.1 105.0 94.2 -24.7 -1.0 91.0 41.6 148 148 A L S - 0 0 55 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.226 22.4-122.4 -65.1 152.5 -0.6 83.5 39.8 151 151 A I T >> S+ 0 0 87 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.767 110.5 63.6 -67.6 -25.5 -3.3 81.9 42.0 152 152 A T H 3> S+ 0 0 47 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.579 93.9 61.6 -77.5 -9.8 -2.1 78.4 41.1 153 153 A D H <> S+ 0 0 35 -3,-1.3 4,-0.8 2,-0.2 -1,-0.3 0.691 109.5 42.4 -80.9 -22.7 1.2 79.3 42.8 154 154 A V H <> S+ 0 0 27 -3,-0.8 4,-1.4 -4,-0.5 -2,-0.2 0.726 112.1 51.3 -93.6 -27.2 -0.8 79.7 46.0 155 155 A Q H X S+ 0 0 69 -4,-1.6 4,-1.9 2,-0.2 -3,-0.2 0.873 113.8 46.1 -74.5 -38.9 -3.1 76.7 45.6 156 156 A N H X S+ 0 0 49 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.908 113.2 49.9 -63.4 -45.3 0.0 74.6 45.0 157 157 A A H X S+ 0 0 0 -4,-0.8 4,-1.2 1,-0.2 -2,-0.2 0.800 112.4 46.2 -68.3 -30.5 1.8 76.2 48.0 158 158 A R H X S+ 0 0 123 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.865 110.6 51.6 -81.2 -36.5 -1.2 75.6 50.3 159 159 A A H X S+ 0 0 25 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.762 111.3 51.0 -65.6 -25.8 -1.7 72.0 49.2 160 160 A Q H X S+ 0 0 39 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.769 108.1 49.1 -84.9 -30.2 2.0 71.6 49.9 161 161 A Y H X S+ 0 0 36 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.840 106.1 58.9 -71.6 -35.6 1.8 73.0 53.4 162 162 A D H X S+ 0 0 23 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.810 104.1 52.1 -61.6 -31.4 -1.1 70.7 54.1 163 163 A T H X S+ 0 0 69 -4,-0.7 4,-2.4 2,-0.2 3,-0.2 0.941 107.0 49.0 -71.1 -48.3 1.2 67.8 53.4 164 164 A V H X S+ 0 0 3 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.804 110.0 56.5 -62.5 -21.9 3.8 68.9 55.8 165 165 A L H X S+ 0 0 57 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.896 109.5 42.3 -72.1 -40.4 0.9 69.3 58.2 166 166 A A H X S+ 0 0 15 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.743 113.4 54.7 -75.8 -25.1 -0.1 65.6 57.7 167 167 A N H < S+ 0 0 73 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.915 103.6 53.0 -73.3 -43.7 3.6 64.7 57.9 168 168 A E H >X S+ 0 0 46 -4,-2.1 4,-1.5 -5,-0.2 3,-0.8 0.835 109.6 54.5 -55.7 -30.9 4.0 66.4 61.3 169 169 A L H 3X S+ 0 0 46 -4,-0.8 4,-1.7 1,-0.2 3,-0.4 0.984 109.4 40.5 -69.8 -61.7 1.0 64.3 62.3 170 170 A T H 3< S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.066 111.3 65.4 -76.0 26.8 2.3 60.8 61.3 171 171 A A H <> S+ 0 0 5 -3,-0.8 4,-1.6 2,-0.1 -1,-0.2 0.695 100.3 43.4-111.3 -45.2 5.7 61.9 62.8 172 172 A R H X S+ 0 0 32 -4,-1.5 4,-3.2 -3,-0.4 5,-0.2 0.929 111.8 57.8 -63.4 -42.4 4.7 62.3 66.4 173 173 A N H X S+ 0 0 24 -4,-1.7 4,-2.6 1,-0.3 5,-0.3 0.956 105.6 48.3 -50.8 -57.7 2.9 59.0 66.1 174 174 A N H > S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.852 114.1 48.9 -42.8 -44.4 6.1 57.3 65.0 175 175 A L H X S+ 0 0 3 -4,-1.6 4,-1.5 -56,-0.2 -2,-0.2 0.913 108.7 51.1 -66.0 -47.2 7.8 59.0 68.0 176 176 A D H X S+ 0 0 59 -4,-3.2 4,-1.4 1,-0.3 3,-0.4 0.924 110.7 47.4 -63.8 -45.8 5.2 58.0 70.5 177 177 A N H X S+ 0 0 22 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.3 0.805 105.4 63.0 -63.0 -28.8 5.3 54.4 69.5 178 178 A A H X S+ 0 0 11 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.881 103.5 46.1 -63.3 -37.5 9.0 54.6 69.7 179 179 A V H X S+ 0 0 21 -4,-1.5 4,-1.9 -3,-0.4 -1,-0.2 0.774 108.9 56.4 -77.9 -25.6 8.9 55.4 73.4 180 180 A E H X S+ 0 0 9 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.881 106.8 50.0 -66.3 -39.9 6.4 52.5 73.8 181 181 A Q H X S+ 0 0 80 -4,-2.0 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36.9-167.3-108.3 99.1 21.9 -16.7 81.5 928 70 C Q E -N 901 0A 101 -27,-1.0 -27,-1.6 -2,-0.8 2,-0.4 -0.669 9.5-172.8 -92.8 147.2 18.5 -15.2 80.9 929 71 C L E -NQ 9001110A 47 181,-1.2 181,-2.1 -2,-0.3 2,-0.3 -0.995 2.7-169.9-138.6 129.4 16.7 -14.9 77.6 930 72 C T E -NQ 8991109A 57 -31,-2.3 -31,-2.4 -2,-0.4 2,-0.3 -0.922 3.7-176.2-116.9 149.8 13.4 -13.1 76.7 931 73 C Q E - Q 01108A 45 177,-2.2 177,-2.4 -2,-0.3 2,-0.3 -0.934 25.0-131.4-147.5 119.6 11.5 -13.3 73.4 932 74 C S E + Q 01107A 12 -37,-0.4 175,-0.2 -35,-0.4 3,-0.1 -0.520 28.6 172.0 -66.9 129.3 8.3 -11.5 72.3 933 75 C I E S+ 0 0 79 173,-2.0 2,-0.2 -2,-0.3 174,-0.2 0.755 74.8 2.0-107.9 -43.7 6.0 -14.1 71.0 934 76 C F E S+ Q 01106A 85 172,-2.9 172,-1.7 4,-0.0 2,-0.4 -0.668 75.1 140.4-144.7 97.1 2.9 -12.0 70.5 935 77 C D >> - 0 0 19 -2,-0.2 3,-1.6 170,-0.2 4,-1.1 -0.813 22.9-174.6-136.6 89.1 3.1 -8.3 71.4 936 78 C M H >> S+ 0 0 56 -2,-0.4 4,-2.1 168,-0.4 3,-0.6 0.857 82.7 63.8 -54.1 -36.5 1.2 -6.2 68.9 937 79 C S H 3> S+ 0 0 61 1,-0.3 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170 C T H 3< S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.040 111.8 63.4 -75.3 27.7 25.6 52.3 48.5 1029 171 C A H <> S+ 0 0 7 -3,-0.8 4,-1.9 2,-0.1 -1,-0.2 0.661 100.5 45.6-112.7 -43.6 25.5 50.2 45.3 1030 172 C R H X S+ 0 0 74 -4,-1.5 4,-1.4 -3,-0.5 -2,-0.2 0.597 111.9 56.1 -76.4 -12.4 28.8 48.5 45.6 1031 173 C N H X S+ 0 0 21 -4,-0.9 4,-2.6 2,-0.2 5,-0.3 0.937 105.3 49.5 -74.3 -58.2 27.9 47.8 49.2 1032 174 C N H > S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.868 113.5 48.8 -40.5 -46.9 24.7 46.1 48.2 1033 175 C L H X S+ 0 0 0 -4,-1.9 4,-1.5 -56,-0.2 -1,-0.2 0.927 108.5 51.3 -64.1 -48.8 26.9 44.0 45.7 1034 176 C D H X S+ 0 0 37 -4,-1.4 4,-1.4 1,-0.3 3,-0.5 0.932 110.5 47.9 -60.6 -47.6 29.5 43.1 48.3 1035 177 C N H X S+ 0 0 22 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.797 105.3 62.2 -59.9 -29.6 27.0 41.8 50.8 1036 178 C A H X S+ 0 0 11 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.877 103.4 47.2 -65.0 -36.7 25.3 39.9 47.9 1037 179 C V H X S+ 0 0 23 -4,-1.5 4,-1.9 -3,-0.5 -1,-0.2 0.792 108.7 55.7 -76.4 -26.0 28.5 37.8 47.4 1038 180 C E H X S+ 0 0 7 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.881 107.1 49.7 -65.3 -42.8 28.6 37.3 51.1 1039 181 C Q H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.954 111.7 49.0 -55.3 -52.8 25.1 35.9 50.8 1040 182 C L H X S+ 0 0 4 -4,-2.3 4,-1.7 -70,-0.2 6,-0.4 0.836 109.8 51.7 -58.9 -35.9 26.3 33.7 48.0 1041 183 C R H X S+ 0 0 45 -4,-1.9 4,-3.9 2,-0.2 -1,-0.2 0.911 105.9 53.0 -69.6 -46.8 29.3 32.5 50.1 1042 184 C Q H < S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.935 118.1 38.0 -50.6 -50.7 27.3 31.4 53.1 1043 185 C I H < S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.812 130.8 28.5 -69.2 -31.5 25.1 29.3 50.8 1044 186 C T H < S- 0 0 0 -4,-1.7 -3,-0.2 2,-0.2 -2,-0.2 0.657 93.4-126.5-115.6 -22.5 27.8 28.1 48.6 1045 187 C G S < S+ 0 0 18 -4,-3.9 2,-0.2 1,-0.3 -4,-0.2 0.387 75.8 82.6 89.1 -2.0 31.0 28.0 50.5 1046 188 C N - 0 0 64 -6,-0.4 2,-0.4 -5,-0.1 -1,-0.3 -0.771 66.0-133.0-131.7 169.4 32.9 30.1 48.0 1047 189 C Y - 0 0 94 -2,-0.2 3,-0.1 -3,-0.1 -9,-0.1 -0.996 25.6-151.2-120.0 134.2 33.9 33.5 46.7 1048 190 C Y - 0 0 12 -2,-0.4 235,-0.1 1,-0.1 3,-0.1 -0.899 15.7-161.7-111.4 126.2 33.7 34.0 42.9 1049 191 C P S S+ 0 0 96 0, 0.0 234,-2.8 0, 0.0 235,-0.5 0.871 86.7 6.2 -68.6 -33.6 35.9 36.5 41.0 1050 192 C E B -W 1282 0F 97 232,-0.3 232,-0.2 233,-0.2 2,-0.0 -0.984 62.0-178.0-145.3 155.4 33.5 36.2 38.2 1051 193 C L - 0 0 5 230,-2.2 2,-0.2 -2,-0.3 -1,-0.1 0.270 37.3 -98.7-115.1-116.5 30.1 34.6 37.4 1052 194 C A - 0 0 7 228,-0.2 -191,-0.1 230,-0.1 2,-0.1 -0.623 33.4-143.1 179.7 112.7 28.2 34.7 34.2 1053 195 C A E -X 1279 0G 10 226,-2.6 225,-1.6 -2,-0.2 226,-0.6 -0.381 35.7 -74.8 -94.4 169.4 25.3 37.1 33.5 1054 196 C L E -X 1277 0G 7 223,-0.2 2,-0.4 1,-0.1 223,-0.3 -0.419 49.0-119.7 -67.1 110.8 22.0 36.7 31.7 1055 197 C N - 0 0 26 221,-0.8 -1,-0.1 -2,-0.5 220,-0.0 -0.338 30.6-156.8 -53.4 108.0 22.7 36.8 28.0 1056 198 C V S S+ 0 0 71 -2,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.781 79.3 37.3 -73.9 -37.2 20.7 39.8 27.1 1057 199 C E S S+ 0 0 147 1,-0.2 2,-2.4 3,-0.0 -1,-0.2 0.921 109.1 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