==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 19-DEC-06 2OBN . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1376 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 906 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 195 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 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 0.2 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 . 112 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 10 4 2 4 8 5 2 0 2 4 3 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 8 16 5 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 . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 6 A N 0 0 170 0, 0.0 2,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -17.3 -20.5 55.0 45.6 2 7 A Q - 0 0 62 67,-0.0 2,-0.4 66,-0.0 0, 0.0 -0.769 360.0-109.8 -98.8 145.1 -17.2 53.7 47.0 3 8 A R - 0 0 96 -2,-0.3 66,-2.6 64,-0.2 67,-2.3 -0.610 38.4-146.5 -76.8 130.1 -14.4 56.0 48.2 4 9 A V E -ab 31 70A 15 26,-2.3 28,-2.2 -2,-0.4 29,-1.3 -0.827 20.3-172.8-108.7 135.4 -11.5 55.9 45.8 5 10 A A E -ab 33 71A 1 65,-2.6 67,-2.7 -2,-0.4 2,-0.6 -0.979 20.9-145.9-116.2 133.4 -7.7 56.2 46.3 6 11 A I E -ab 34 72A 0 27,-2.5 29,-3.2 -2,-0.4 2,-0.7 -0.909 7.4-139.9-108.3 120.0 -5.7 56.5 43.1 7 12 A L E +ab 35 73A 0 65,-3.0 67,-2.1 -2,-0.6 68,-0.3 -0.657 40.7 154.3 -73.6 112.6 -2.2 55.0 42.9 8 13 A L >> + 0 0 0 27,-3.0 3,-2.4 -2,-0.7 4,-0.8 0.034 9.6 168.5-138.1 31.9 -0.4 57.7 40.9 9 14 A H T 34 S- 0 0 0 1,-0.3 27,-0.1 2,-0.2 7,-0.0 -0.290 80.9 -7.1 -54.9 119.9 3.3 57.5 41.8 10 15 A E T 34 S+ 0 0 95 1,-0.1 6,-0.5 -2,-0.1 -1,-0.3 0.383 119.8 89.9 72.1 2.8 5.3 59.7 39.4 11 16 A G T <4 + 0 0 0 -3,-2.4 6,-0.3 5,-0.2 -2,-0.2 0.509 59.6 77.8-107.6 -9.3 2.1 60.3 37.3 12 17 A T S < S+ 0 0 4 -4,-0.8 -1,-0.1 1,-0.1 -3,-0.1 0.924 125.6 1.6 -66.7 -44.5 0.5 63.5 38.8 13 18 A T S S+ 0 0 85 35,-0.0 -2,-0.2 0, 0.0 -1,-0.1 0.344 127.0 72.4-122.4 -0.1 3.0 65.7 37.1 14 19 A G S S- 0 0 39 -4,-0.1 -3,-0.1 1,-0.0 -4,-0.1 0.005 92.3 -99.2 -93.5-152.4 5.0 63.1 35.1 15 20 A T S S+ 0 0 137 -5,-0.2 3,-0.5 1,-0.1 -4,-0.1 0.611 102.2 70.6-111.9 -17.1 3.9 61.2 32.0 16 21 A I S S+ 0 0 44 -6,-0.5 60,-1.4 1,-0.2 3,-0.3 0.551 83.6 73.0 -81.5 -6.0 2.8 57.7 33.2 17 22 A G > + 0 0 0 -6,-0.3 4,-2.1 -7,-0.2 5,-0.2 -0.061 48.1 126.2-103.1 34.9 -0.4 58.8 35.1 18 23 A K H > S+ 0 0 66 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.868 76.4 52.2 -56.1 -39.2 -2.8 59.6 32.2 19 24 A T H > S+ 0 0 13 55,-0.5 4,-1.9 -3,-0.3 3,-0.2 0.950 110.0 44.4 -64.9 -54.6 -5.5 57.2 33.6 20 25 A G H > S+ 0 0 0 54,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.884 112.5 52.4 -58.9 -41.8 -5.6 58.6 37.2 21 26 A L H X S+ 0 0 37 -4,-2.1 4,-1.7 53,-0.3 -1,-0.2 0.840 109.2 50.3 -64.3 -33.8 -5.6 62.3 35.9 22 27 A A H X S+ 0 0 19 -4,-1.5 4,-2.1 -5,-0.2 5,-0.3 0.857 110.3 49.6 -72.1 -36.3 -8.6 61.4 33.7 23 28 A L H X S+ 0 0 10 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.927 110.6 50.0 -66.1 -45.9 -10.4 59.8 36.6 24 29 A L H < S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.6 44.2 -56.2 -39.4 -9.7 62.9 38.7 25 30 A R H < S+ 0 0 131 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.813 133.0 14.2 -76.8 -30.8 -11.1 65.1 35.8 26 31 A Y H < S+ 0 0 47 -4,-2.1 -3,-0.2 -5,-0.1 2,-0.2 0.635 86.5 113.7-123.3 -20.2 -14.2 62.9 35.0 27 32 A S < - 0 0 25 -4,-3.1 4,-0.2 -5,-0.3 163,-0.1 -0.396 44.3-159.9 -68.0 130.8 -15.1 60.4 37.7 28 33 A E + 0 0 109 162,-0.2 -1,-0.2 -2,-0.2 -4,-0.0 0.539 65.0 105.1 -80.8 -7.6 -18.4 61.0 39.5 29 34 A A S S- 0 0 23 -6,-0.1 2,-1.1 1,-0.1 -26,-0.1 -0.406 88.9-100.3 -71.1 149.6 -17.1 58.7 42.3 30 35 A P - 0 0 58 0, 0.0 -26,-2.3 0, 0.0 2,-0.7 -0.623 39.4-161.7 -72.5 101.0 -15.9 60.3 45.6 31 36 A I E +a 4 0A 13 -2,-1.1 -26,-0.2 -28,-0.2 3,-0.1 -0.786 15.3 174.3 -88.8 115.2 -12.1 60.3 45.2 32 37 A V E + 0 0 32 -28,-2.2 2,-0.3 -2,-0.7 -27,-0.2 0.530 57.6 22.8-101.5 -10.1 -10.5 60.8 48.6 33 38 A A E -a 5 0A 0 -29,-1.3 -27,-2.5 21,-0.1 2,-0.5 -0.952 49.1-155.7-162.7 139.4 -6.8 60.4 48.0 34 39 A V E -ac 6 56A 0 21,-2.5 23,-2.8 -2,-0.3 2,-0.7 -0.967 23.4-149.4-111.0 125.6 -4.2 60.7 45.3 35 40 A I E +ac 7 57A 0 -29,-3.2 -27,-3.0 -2,-0.5 2,-0.3 -0.888 38.1 136.2-103.8 114.0 -1.1 58.6 46.1 36 41 A D > - 0 0 0 21,-2.5 3,-1.1 -2,-0.7 4,-0.4 -0.809 39.4-158.1-161.4 114.7 2.1 60.0 44.7 37 42 A R G > S+ 0 0 106 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.872 95.5 58.3 -58.2 -42.9 5.5 60.2 46.5 38 43 A N G 3 S+ 0 0 97 1,-0.2 -1,-0.2 20,-0.1 20,-0.1 0.641 118.4 28.4 -65.0 -18.3 6.7 63.0 44.2 39 44 A C G X S+ 0 0 0 -3,-1.1 3,-2.1 18,-0.2 -1,-0.2 0.187 76.9 151.8-131.9 17.6 3.8 65.3 45.1 40 45 A A T < S+ 0 0 42 -3,-0.8 17,-0.2 -4,-0.4 3,-0.1 -0.257 77.0 9.1 -55.6 133.0 2.7 64.4 48.7 41 46 A G T 3 S+ 0 0 76 15,-3.1 -1,-0.3 1,-0.3 2,-0.1 0.330 101.8 124.3 79.2 -4.8 1.1 67.5 50.4 42 47 A Q S < S- 0 0 95 -3,-2.1 2,-0.5 14,-0.1 14,-0.4 -0.398 71.1 -95.3 -87.0 162.2 1.1 69.6 47.2 43 48 A S > - 0 0 66 1,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.678 23.1-154.2 -80.4 120.5 -1.9 71.3 45.7 44 49 A L H >>S+ 0 0 5 -2,-0.5 4,-1.3 10,-0.4 5,-0.5 0.872 96.6 48.9 -59.4 -39.3 -3.6 69.2 42.9 45 50 A R H >5S+ 0 0 73 3,-0.2 4,-2.7 2,-0.2 3,-0.3 0.947 111.6 48.0 -66.8 -48.6 -4.9 72.3 41.3 46 51 A E H 45S+ 0 0 83 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.852 119.4 37.9 -62.8 -37.8 -1.6 74.2 41.3 47 52 A I H <5S+ 0 0 49 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.586 136.6 15.8 -92.0 -12.0 0.4 71.2 39.9 48 53 A T H <5S- 0 0 38 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.2 0.565 88.7-124.8-130.8 -24.2 -2.2 69.9 37.4 49 54 A G << + 0 0 37 -4,-2.7 -4,-0.2 -5,-0.5 -3,-0.1 0.023 63.9 136.5 95.1 -25.5 -4.9 72.6 36.8 50 55 A I - 0 0 8 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.295 48.3-145.6 -59.5 134.2 -7.7 70.1 37.8 51 56 A Y + 0 0 198 -3,-0.1 -6,-0.1 -26,-0.1 -1,-0.1 0.753 63.1 97.0 -80.3 -27.7 -10.3 71.8 40.0 52 57 A R S S- 0 0 77 -28,-0.2 2,-0.5 1,-0.1 -8,-0.1 -0.360 74.0-122.3 -66.3 142.1 -11.5 69.0 42.4 53 58 A Y + 0 0 192 -9,-0.1 -1,-0.1 -10,-0.0 -2,-0.1 -0.739 43.5 154.7 -85.5 127.0 -9.8 69.0 45.8 54 59 A V - 0 0 2 -2,-0.5 -10,-0.4 -20,-0.0 2,-0.2 -0.954 42.2-117.5-148.8 130.3 -8.1 65.7 46.8 55 60 A P - 0 0 19 0, 0.0 -21,-2.5 0, 0.0 2,-0.6 -0.494 21.2-139.4 -70.6 140.7 -5.2 65.3 49.2 56 61 A I E -c 34 0A 7 -14,-0.4 -15,-3.1 -23,-0.2 2,-0.3 -0.912 27.6-174.1-100.2 118.0 -2.0 64.0 47.7 57 62 A V E -c 35 0A 15 -23,-2.8 -21,-2.5 -2,-0.6 -18,-0.2 -0.747 33.4-118.9-114.5 162.7 -0.4 61.5 50.1 58 63 A K S S- 0 0 47 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 0.773 85.1 -8.9 -70.3 -31.6 2.9 59.6 50.1 59 64 A S S > S- 0 0 34 -23,-0.1 4,-1.3 1,-0.1 5,-0.1 -0.945 73.1 -90.0-157.2 174.6 1.5 56.0 50.1 60 65 A V H >> S+ 0 0 2 -2,-0.3 4,-1.3 1,-0.2 3,-0.5 0.920 124.4 55.0 -56.9 -45.4 -1.6 53.7 50.3 61 66 A E H >4 S+ 0 0 132 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.896 107.2 48.4 -58.0 -43.0 -0.9 53.5 54.1 62 67 A A H 34 S+ 0 0 37 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.723 107.5 57.9 -68.5 -23.3 -1.0 57.4 54.4 63 68 A A H X< S+ 0 0 0 -4,-1.3 3,-2.8 -3,-0.5 -1,-0.2 0.794 84.3 81.3 -75.5 -25.6 -4.3 57.3 52.3 64 69 A L G X< S+ 0 0 61 -4,-1.3 3,-2.4 -3,-0.5 -1,-0.2 0.786 77.8 70.8 -51.1 -34.4 -6.0 55.0 54.9 65 70 A E G 3 S+ 0 0 155 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.737 95.5 53.5 -51.0 -30.2 -6.7 58.0 57.1 66 71 A Y G < S- 0 0 85 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.267 112.1-122.2 -93.9 11.4 -9.3 59.1 54.4 67 72 A K < - 0 0 98 -3,-2.4 -64,-0.2 1,-0.2 2,-0.2 0.888 37.8-171.6 52.4 50.6 -11.1 55.7 54.6 68 73 A P - 0 0 11 0, 0.0 -64,-0.2 0, 0.0 -1,-0.2 -0.507 15.4-169.4 -72.9 142.8 -10.7 54.7 50.9 69 74 A Q S S+ 0 0 55 -66,-2.6 30,-1.9 1,-0.2 2,-0.4 0.629 70.0 40.3-102.8 -21.8 -12.6 51.6 49.8 70 75 A V E -bd 4 99A 17 -67,-2.3 -65,-2.6 28,-0.2 2,-0.6 -0.998 64.2-151.6-135.3 130.0 -11.1 51.0 46.4 71 76 A L E -bd 5 100A 0 28,-2.9 30,-2.5 -2,-0.4 2,-0.5 -0.918 16.9-164.8 -99.6 121.2 -7.5 51.4 45.1 72 77 A V E -bd 6 101A 9 -67,-2.7 -65,-3.0 -2,-0.6 2,-0.9 -0.927 19.2-133.3-108.7 128.6 -7.4 52.3 41.4 73 78 A I E +b 7 0A 1 28,-2.3 30,-0.3 -2,-0.5 -65,-0.1 -0.719 30.7 171.8 -80.4 107.0 -4.1 51.9 39.6 74 79 A G + 0 0 0 -67,-2.1 -54,-2.0 -2,-0.9 -55,-0.5 0.331 54.0 70.4-100.8 5.3 -3.8 55.2 37.7 75 80 A I - 0 0 6 -68,-0.3 -58,-0.2 -56,-0.2 28,-0.2 -0.861 55.3-168.1-123.1 155.6 -0.3 54.7 36.4 76 81 A A - 0 0 33 -60,-1.4 -58,-0.1 -2,-0.3 6,-0.1 -0.968 20.3-132.4-142.9 123.9 1.3 52.4 33.9 77 82 A P 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.357 360.0 360.0 -72.3 160.9 5.0 51.9 33.4 78 83 A K 0 0 97 -2,-0.0 -62,-0.0 401,-0.0 0, 0.0 -0.191 360.0 360.0 -73.7 360.0 6.5 52.0 29.9 79 ! 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 80 85 A G 0 0 78 0, 0.0 398,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 7.1 46.8 31.6 81 86 A G - 0 0 34 1,-0.2 25,-0.1 24,-0.1 24,-0.1 0.686 360.0 -15.9 -96.1-105.5 4.7 44.7 33.6 82 87 A I S S- 0 0 31 -6,-0.1 -1,-0.2 23,-0.1 5,-0.1 -0.923 70.9-134.9-109.3 109.0 4.3 45.2 37.4 83 88 A P >> - 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.235 20.1-116.6 -59.5 154.2 7.2 47.2 38.9 84 89 A D G >4 S+ 0 0 144 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.834 111.9 61.8 -61.8 -34.0 8.7 45.9 42.1 85 90 A D G 34 S+ 0 0 65 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.469 92.6 67.1 -73.7 -3.6 7.5 49.0 44.1 86 91 A Y G <> S+ 0 0 7 -3,-1.5 4,-2.0 2,-0.1 -1,-0.2 0.812 82.7 72.9 -83.5 -33.6 3.8 48.3 43.4 87 92 A W H S+ 0 0 102 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.932 111.6 50.9 -62.4 -43.6 3.6 46.7 48.9 89 94 A E H > S+ 0 0 15 -4,-0.5 4,-1.5 -3,-0.2 -2,-0.2 0.886 112.4 45.8 -61.2 -41.3 1.0 49.2 47.8 90 95 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 114.4 45.4 -68.8 -50.9 -1.4 46.5 46.5 91 96 A K H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.872 110.4 55.6 -60.6 -40.1 -1.1 44.1 49.5 92 97 A T H X S+ 0 0 28 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.876 109.8 46.3 -60.3 -39.8 -1.5 47.1 51.9 93 98 A A H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 -2,-0.2 0.884 113.1 48.4 -70.8 -41.6 -4.8 48.0 50.3 94 99 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 25,-0.2 0.888 110.0 50.9 -66.0 -42.9 -6.1 44.4 50.2 95 100 A Q H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.3 58.4 -62.0 -35.6 -5.2 43.8 53.9 96 101 A A T 3<5S- 0 0 48 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.227 125.1-104.5 -79.3 13.3 -7.1 47.1 54.7 97 102 A G T < 5S+ 0 0 19 -3,-1.5 -3,-0.2 20,-0.3 -2,-0.1 0.635 73.9 139.5 76.2 17.2 -10.3 45.5 53.1 98 103 A X < - 0 0 2 -5,-2.4 21,-0.3 -6,-0.1 2,-0.2 -0.443 49.4-124.3 -90.2 162.8 -10.2 47.4 49.8 99 104 A S E -d 70 0A 14 -30,-1.9 -28,-2.9 -2,-0.1 2,-0.4 -0.668 22.8-132.9 -95.1 161.0 -10.9 46.3 46.3 100 105 A L E -de 71 124A 1 23,-2.0 25,-3.0 -2,-0.2 2,-0.7 -0.975 9.9-161.7-119.3 132.2 -8.4 46.8 43.4 101 106 A V E -de 72 125A 20 -30,-2.5 -28,-2.3 -2,-0.4 2,-0.6 -0.945 18.6-163.3-113.9 104.7 -9.2 48.2 40.0 102 107 A N E + e 0 126A 0 23,-3.4 25,-2.6 -2,-0.7 26,-0.6 -0.832 24.3 170.1-100.2 114.6 -6.3 47.1 37.7 103 108 A G + 0 0 2 -2,-0.6 82,-0.1 -30,-0.3 -1,-0.1 0.323 47.4 109.9-100.2 4.8 -5.8 48.8 34.4 104 109 A L S S- 0 0 8 2,-0.2 24,-0.5 1,-0.1 4,-0.1 -0.335 78.2-119.9 -75.6 163.3 -2.4 47.2 33.7 105 110 A H S S+ 0 0 35 -24,-0.1 -1,-0.1 2,-0.1 -24,-0.1 0.765 97.5 81.1 -71.3 -28.7 -1.9 44.6 31.0 106 111 A T S S- 0 0 48 -25,-0.1 2,-0.2 2,-0.0 -2,-0.2 -0.739 85.5-132.0 -81.7 120.3 -0.7 42.2 33.6 107 112 A P - 0 0 82 0, 0.0 -2,-0.1 0, 0.0 19,-0.0 -0.566 23.4-176.5 -76.2 138.7 -3.8 40.6 35.3 108 113 A L > + 0 0 0 -2,-0.2 3,-1.2 -4,-0.1 7,-0.2 0.486 60.9 86.9-109.1 -11.5 -3.7 40.5 39.1 109 114 A A T 3 S+ 0 0 22 1,-0.2 -1,-0.1 5,-0.1 15,-0.1 0.729 92.5 45.2 -67.7 -23.1 -7.0 38.7 40.1 110 115 A N T 3 S+ 0 0 151 4,-0.0 -1,-0.2 5,-0.0 -2,-0.1 0.055 79.7 117.2-111.1 26.2 -5.5 35.2 39.9 111 116 A I X> - 0 0 41 -3,-1.2 4,-2.7 1,-0.1 3,-0.6 -0.858 61.1-142.8 -93.1 115.7 -2.3 35.8 41.8 112 117 A P H 3> S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 96.1 52.8 -42.6 -52.0 -2.3 33.6 45.0 113 118 A D H 3> S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.849 116.0 38.8 -58.6 -40.3 -0.7 36.2 47.2 114 119 A L H X> S+ 0 0 0 -3,-0.6 3,-0.6 2,-0.2 4,-0.6 0.918 114.3 53.2 -77.2 -42.9 -3.1 39.0 46.4 115 120 A N H >< S+ 0 0 87 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.836 103.4 57.9 -61.3 -36.2 -6.2 36.7 46.3 116 121 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.839 105.3 50.6 -61.8 -36.3 -5.4 35.4 49.8 117 122 A L H << S+ 0 0 56 -4,-0.7 -20,-0.3 -3,-0.6 -1,-0.2 0.576 86.6 111.1 -78.2 -10.4 -5.6 39.0 51.1 118 123 A L << - 0 0 44 -3,-0.8 -19,-0.1 -4,-0.6 -23,-0.1 -0.487 57.8-149.0 -72.3 131.4 -9.0 39.6 49.5 119 124 A Q > - 0 0 91 -21,-0.3 3,-1.9 -2,-0.2 -2,-0.1 -0.630 31.6 -75.6-100.3 158.9 -11.9 39.9 51.9 120 125 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.224 118.6 21.3 -55.1 133.1 -15.6 39.0 51.5 121 126 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.1 -22,-0.1 0.470 105.8 100.5 86.7 3.7 -17.5 41.5 49.4 122 127 A Q < - 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