==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 07-MAY-10 3MX9 . COMPND 2 MOLECULE: PROTEIN SCV3V2(G19S); . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR I.G.MUNOZ,J.PRIETO,S.SUBRAMANIAN,J.COLOMA,G.MONTOYA . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 72.8 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 . 46 15.4 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 4 0 0 0 0 0 0 4 2 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 0 0 2 2 0 0 2 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 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 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 N 0 0 184 0, 0.0 2,-0.3 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 114.5 35.5 -31.8 -37.7 2 3 A T - 0 0 80 59,-0.1 2,-0.5 80,-0.0 59,-0.0 -0.605 360.0-143.2 -75.5 136.4 31.9 -31.3 -36.6 3 4 A K - 0 0 184 -2,-0.3 2,-0.4 86,-0.0 83,-0.1 -0.896 19.2-142.8 -96.4 130.3 30.4 -27.9 -36.9 4 5 A Y - 0 0 18 -2,-0.5 57,-0.1 1,-0.1 5,-0.0 -0.745 20.3-103.7 -98.7 140.1 28.1 -27.1 -33.9 5 6 A N > - 0 0 121 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.289 25.4-129.0 -56.9 140.2 24.9 -25.1 -34.2 6 7 A K H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.908 107.8 52.5 -60.6 -45.6 25.2 -21.5 -32.9 7 8 A E H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.864 109.1 50.7 -61.0 -36.9 22.2 -21.8 -30.7 8 9 A F H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 111.8 48.3 -62.2 -44.7 23.6 -24.9 -29.1 9 10 A L H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.778 108.6 53.8 -69.5 -28.3 26.9 -23.0 -28.5 10 11 A L H X S+ 0 0 8 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.955 113.9 39.2 -71.6 -53.9 25.2 -20.0 -27.0 11 12 A Y H >X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.948 117.2 50.6 -59.4 -50.5 23.3 -21.9 -24.3 12 13 A L H 3X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.3 5,-0.2 0.831 103.7 58.1 -59.4 -36.1 26.1 -24.3 -23.7 13 14 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 82,-0.3 0.883 109.1 47.3 -64.2 -34.0 28.6 -21.5 -23.2 14 15 A G H S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.8 0.914 113.2 51.1 -62.5 -39.0 25.9 -23.5 -18.7 16 17 A V H X5S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.930 107.7 51.3 -64.1 -47.2 29.7 -24.0 -19.0 17 18 A D H <5S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.894 120.8 39.3 -51.6 -39.6 30.4 -20.6 -17.5 18 19 A G H <5S+ 0 0 12 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.991 138.5 1.9 -74.2 -74.0 28.0 -21.8 -14.7 19 20 A D H <5S+ 0 0 40 -4,-3.0 26,-1.3 -5,-0.1 -3,-0.2 0.464 107.7 99.4 -98.2 -3.1 28.6 -25.5 -13.9 20 21 A G E << -A 44 0A 8 -4,-1.2 2,-0.3 -5,-0.8 24,-0.2 -0.219 52.7-151.1 -88.3 175.0 31.5 -26.2 -16.2 21 22 A S E -A 43 0A 37 22,-2.3 22,-2.7 2,-0.0 2,-0.5 -0.992 7.2-163.1-148.4 130.7 35.3 -26.4 -15.8 22 23 A I E +A 42 0A 1 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.977 28.9 178.4-117.4 116.4 38.2 -25.8 -18.1 23 24 A I E -A 41 0A 35 18,-2.5 18,-2.2 -2,-0.5 2,-0.4 -0.896 24.1-170.7-130.1 141.1 41.3 -27.4 -16.6 24 25 A A E -A 40 0A 8 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -1.000 17.9-175.6-129.5 134.7 45.0 -27.9 -17.5 25 26 A Q E -A 39 0A 78 14,-2.8 14,-2.5 -2,-0.4 2,-0.7 -0.972 26.7-143.5-133.8 146.3 47.3 -30.2 -15.5 26 27 A I E -A 38 0A 6 116,-0.5 12,-0.2 -2,-0.4 116,-0.2 -0.930 26.3-155.4-100.6 110.3 50.9 -31.2 -15.2 27 28 A N E -A 37 0A 41 10,-4.2 10,-2.7 -2,-0.7 -2,-0.0 -0.778 17.5-124.9 -88.3 115.8 51.0 -34.9 -14.3 28 29 A P E +A 36 0A 86 0, 0.0 8,-0.3 0, 0.0 2,-0.3 -0.393 45.0 169.3 -46.6 129.2 54.2 -36.2 -12.6 29 30 A N - 0 0 49 6,-2.8 6,-0.0 1,-0.1 -2,-0.0 -0.805 35.9-164.8-160.9 114.5 55.3 -39.0 -14.8 30 31 A Q S S+ 0 0 170 -2,-0.3 5,-0.3 1,-0.2 -1,-0.1 0.882 94.8 52.8 -66.9 -41.8 58.4 -41.1 -15.0 31 32 A S S S+ 0 0 113 4,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.895 89.1 100.0 -58.1 -43.3 57.8 -42.6 -18.5 32 33 A S S > S- 0 0 24 1,-0.1 3,-2.4 2,-0.1 -3,-0.1 -0.129 86.2-119.2 -50.1 138.3 57.3 -39.1 -19.9 33 34 A K T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.857 116.3 31.0 -44.7 -44.3 60.2 -37.7 -21.7 34 35 A F T 3 S- 0 0 47 2,-0.5 -1,-0.3 83,-0.1 -2,-0.1 0.003 117.0-105.9-110.7 31.4 60.4 -34.8 -19.2 35 36 A K S < S+ 0 0 37 -3,-2.4 -6,-2.8 -5,-0.3 2,-0.3 0.647 97.0 86.4 59.3 14.3 59.1 -36.7 -16.2 36 37 A H E -A 28 0A 21 -8,-0.3 -2,-0.5 -6,-0.1 2,-0.4 -0.997 59.8-157.4-146.3 147.4 55.8 -34.8 -16.7 37 38 A R E -A 27 0A 105 -10,-2.7 -10,-4.2 -2,-0.3 2,-0.5 -0.990 15.5-137.4-128.6 129.2 52.6 -35.3 -18.7 38 39 A L E -A 26 0A 25 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.758 19.1-170.9 -90.2 126.0 50.2 -32.5 -19.7 39 40 A R E -A 25 0A 97 -14,-2.5 -14,-2.8 -2,-0.5 2,-0.5 -0.962 5.2-167.7-115.7 134.2 46.4 -33.2 -19.5 40 41 A L E +A 24 0A 8 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.969 14.9 174.9-118.5 127.8 43.7 -30.9 -20.8 41 42 A T E -A 23 0A 9 -18,-2.2 -18,-2.5 -2,-0.5 2,-0.4 -0.992 25.4-156.6-139.3 140.7 40.1 -31.5 -19.8 42 43 A F E -AB 22 77A 0 35,-2.2 35,-2.3 -2,-0.4 2,-0.4 -0.949 26.6-173.0-109.4 131.7 36.7 -29.9 -20.2 43 44 A Y E -AB 21 76A 42 -22,-2.7 -22,-2.3 -2,-0.4 2,-0.4 -0.960 21.8-170.5-127.4 145.4 34.2 -30.9 -17.5 44 45 A V E -AB 20 75A 0 31,-2.1 31,-2.9 -2,-0.4 2,-0.3 -0.945 18.2-163.3-133.1 116.7 30.5 -30.4 -16.8 45 46 A T E + B 0 74A 44 -26,-1.3 2,-0.3 -2,-0.4 29,-0.2 -0.720 16.9 157.7 -98.0 144.3 29.3 -31.5 -13.4 46 47 A Q E - B 0 73A 13 27,-2.6 27,-3.2 -2,-0.3 -2,-0.1 -0.950 49.1 -83.7-162.7 149.8 25.7 -32.1 -12.3 47 48 A K E > - B 0 72A 73 -2,-0.3 3,-2.7 25,-0.2 25,-0.3 -0.236 44.0-119.7 -52.6 139.4 23.8 -34.0 -9.7 48 49 A T G > S+ 0 0 37 23,-3.1 3,-2.1 1,-0.3 4,-0.2 0.776 110.7 72.2 -58.1 -29.0 23.3 -37.6 -10.8 49 50 A Q G 3 S+ 0 0 124 22,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.661 105.5 39.7 -58.9 -16.6 19.6 -37.1 -10.7 50 51 A R G X> S+ 0 0 42 -3,-2.7 3,-1.4 1,-0.1 4,-0.6 0.004 73.7 123.2-123.6 26.8 20.1 -35.0 -13.8 51 52 A R H <> + 0 0 74 -3,-2.1 4,-2.3 1,-0.3 3,-0.2 0.722 60.6 77.9 -62.6 -21.4 22.7 -37.0 -15.6 52 53 A W H 3> S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.879 91.1 55.6 -51.6 -39.1 20.4 -37.2 -18.7 53 54 A F H <> S+ 0 0 9 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.902 109.0 44.4 -58.8 -46.6 21.6 -33.7 -19.3 54 55 A L H X S+ 0 0 0 -4,-0.6 4,-1.6 -3,-0.2 -2,-0.2 0.766 111.1 55.3 -71.0 -27.2 25.2 -34.8 -19.4 55 56 A D H X S+ 0 0 66 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.858 104.0 54.5 -71.8 -37.6 24.1 -37.8 -21.5 56 57 A K H >X S+ 0 0 95 -4,-2.4 4,-2.5 -5,-0.2 3,-1.2 0.966 104.7 54.3 -56.3 -53.3 22.6 -35.3 -24.0 57 58 A L H 3X>S+ 0 0 4 -4,-1.9 4,-3.6 1,-0.3 5,-0.8 0.913 101.8 56.3 -47.5 -54.5 26.0 -33.5 -24.2 58 59 A V H 3X5S+ 0 0 42 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.832 113.6 43.1 -46.2 -36.0 27.8 -36.7 -25.2 59 60 A D H <<5S+ 0 0 135 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.888 117.7 42.4 -80.9 -43.8 25.4 -37.0 -28.0 60 61 A E H <5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.888 122.6 38.1 -70.3 -44.7 25.3 -33.4 -29.2 61 62 A I H <5S- 0 0 2 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.841 101.1-146.1 -76.0 -34.5 29.1 -32.9 -28.9 62 63 A G << + 0 0 56 -4,-0.8 2,-0.3 -5,-0.8 -3,-0.2 0.513 65.7 61.4 88.3 6.0 29.5 -36.4 -30.2 63 64 A V S S+ 0 0 31 -6,-0.3 -1,-0.2 19,-0.0 2,-0.2 -0.961 70.6 51.9-157.0 163.3 32.5 -37.3 -28.2 64 65 A G - 0 0 27 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.509 67.0-103.9 99.2-172.0 33.7 -37.6 -24.5 65 66 A Y E -C 76 0A 125 11,-2.1 11,-2.7 -2,-0.2 2,-0.4 -0.950 10.9-121.8-150.0 171.4 32.1 -39.6 -21.7 66 67 A V E -C 75 0A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.977 26.6-173.5-119.7 129.5 29.9 -39.4 -18.5 67 68 A R E -C 74 0A 106 7,-2.5 7,-2.2 -2,-0.4 2,-0.3 -0.839 13.3-136.7-119.3 158.4 31.1 -40.6 -15.1 68 69 A D E -C 73 0A 74 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.794 15.3-177.7-107.4 153.4 29.4 -41.1 -11.7 69 70 A S E > -C 72 0A 71 3,-1.5 2,-1.2 -2,-0.3 3,-0.9 -0.330 62.4 -88.3-142.1 57.3 30.6 -40.3 -8.2 70 71 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.1 -22,-0.0 3,-0.0 -0.649 115.9 10.3 76.8 -97.1 27.8 -41.4 -6.1 71 72 A S T 3 S+ 0 0 88 -2,-1.2 -23,-3.1 -3,-0.1 -22,-0.4 0.756 127.5 54.9 -87.8 -26.7 25.5 -38.4 -5.9 72 73 A V E < -BC 47 69A 56 -3,-0.9 -3,-1.5 -25,-0.3 -25,-0.2 -0.888 63.3-165.0-116.9 139.0 27.2 -36.2 -8.5 73 74 A S E -BC 46 68A 1 -27,-3.2 -27,-2.6 -2,-0.4 2,-0.3 -0.699 3.4-154.7-115.9 170.8 28.1 -36.9 -12.2 74 75 A Q E -BC 45 67A 33 -7,-2.2 -7,-2.5 -29,-0.2 2,-0.4 -0.995 16.0-142.1-148.7 138.4 30.3 -35.3 -14.9 75 76 A Y E -BC 44 66A 0 -31,-2.9 -31,-2.1 -2,-0.3 2,-0.4 -0.833 32.5-168.4 -90.1 138.2 30.7 -35.0 -18.6 76 77 A V E -BC 43 65A 2 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.4 -0.993 19.2-178.6-136.3 134.3 34.4 -35.1 -19.5 77 78 A L E +B 42 0A 1 -35,-2.3 -35,-2.2 -2,-0.4 -2,-0.0 -0.945 23.8 142.4-133.1 112.2 36.3 -34.4 -22.7 78 79 A S + 0 0 26 -2,-0.4 -38,-0.3 -37,-0.2 2,-0.2 0.493 33.2 117.6-122.3 -12.8 40.0 -34.9 -22.8 79 80 A E > - 0 0 115 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.432 61.7-139.7 -61.2 125.1 40.6 -36.2 -26.3 80 81 A I H > S+ 0 0 80 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.867 88.0 45.4 -66.0 -52.2 42.8 -33.6 -27.9 81 82 A K H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.969 119.3 41.6 -55.7 -59.1 41.6 -33.1 -31.5 82 83 A P H > S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.855 111.9 56.7 -57.9 -39.1 37.9 -32.9 -30.6 83 84 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.901 109.7 44.7 -60.6 -42.0 38.6 -30.8 -27.6 84 85 A H H X S+ 0 0 49 -4,-2.1 4,-2.2 -3,-0.2 -1,-0.2 0.887 113.6 50.4 -69.7 -40.2 40.4 -28.2 -29.7 85 86 A N H X S+ 0 0 21 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.886 115.3 43.1 -61.8 -42.0 37.6 -28.3 -32.3 86 87 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 3,-0.2 0.942 116.2 45.0 -71.3 -50.6 35.0 -27.9 -29.7 87 88 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.838 106.6 60.6 -66.9 -34.9 36.7 -25.1 -27.7 88 89 A T H < S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.931 112.5 39.4 -54.7 -42.8 37.6 -23.3 -30.8 89 90 A Q H < S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.720 118.9 45.7 -80.8 -22.5 33.9 -23.0 -31.5 90 91 A L H >X S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.1 4,-0.6 0.833 92.6 75.2 -91.3 -35.3 32.7 -22.3 -28.0 91 92 A Q G >< S+ 0 0 41 -4,-2.4 3,-0.7 1,-0.3 -1,-0.1 0.733 82.6 66.1 -57.6 -30.1 35.1 -19.7 -26.7 92 93 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.727 108.5 42.9 -64.9 -15.8 33.7 -16.7 -28.7 93 94 A F G <4 S+ 0 0 40 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.538 90.8 103.4-105.8 -11.5 30.6 -17.1 -26.5 94 95 A L << + 0 0 5 -3,-0.7 -80,-0.1 -4,-0.6 -81,-0.1 -0.430 39.0 174.7 -69.6 147.6 32.3 -17.7 -23.2 95 96 A K S S+ 0 0 91 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.621 78.4 27.0-122.6 -40.3 32.3 -14.7 -20.8 96 97 A L S S+ 0 0 28 1,-0.1 3,-0.3 2,-0.1 4,-0.2 0.864 130.9 33.8 -91.5 -44.6 33.8 -16.0 -17.6 97 98 A K S > S+ 0 0 37 -84,-0.2 4,-2.3 1,-0.2 5,-0.1 0.154 83.3 108.5-102.1 21.2 36.0 -18.9 -18.8 98 99 A Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 77.3 51.6 -65.8 -43.7 37.1 -17.4 -22.2 99 100 A K H > S+ 0 0 147 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.929 111.2 49.6 -57.9 -45.2 40.7 -16.8 -21.2 100 101 A Q H > S+ 0 0 8 2,-0.2 4,-2.6 -4,-0.2 3,-0.4 0.969 109.0 52.1 -55.2 -57.8 41.0 -20.4 -20.0 101 102 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.3 0.924 111.8 46.1 -40.0 -60.7 39.5 -21.8 -23.2 102 103 A N H X S+ 0 0 67 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.803 110.7 52.3 -58.7 -35.8 42.0 -19.8 -25.3 103 104 A L H X S+ 0 0 33 -4,-2.0 4,-2.8 -3,-0.4 -1,-0.2 0.883 108.6 50.9 -68.2 -39.5 45.0 -20.8 -23.2 104 105 A V H X S+ 0 0 2 -4,-2.6 4,-1.5 -3,-0.3 -2,-0.2 0.774 109.8 50.9 -67.7 -28.2 44.0 -24.5 -23.6 105 106 A L H X S+ 0 0 12 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.861 110.1 49.4 -75.6 -37.0 43.9 -24.0 -27.3 106 107 A K H X S+ 0 0 32 -4,-1.9 4,-2.3 2,-0.2 3,-0.4 0.971 111.6 48.4 -63.4 -54.8 47.3 -22.4 -27.3 107 108 A I H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.883 109.3 54.1 -48.8 -45.0 48.8 -25.3 -25.3 108 109 A I H >< S+ 0 0 15 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.878 111.5 43.9 -63.9 -37.5 47.1 -27.8 -27.6 109 110 A E H 3< S+ 0 0 118 -4,-1.6 4,-0.2 -3,-0.4 -1,-0.2 0.834 113.0 50.6 -76.6 -34.6 48.7 -26.2 -30.7 110 111 A Q T 3X S+ 0 0 85 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.337 84.4 99.3 -83.3 5.5 52.2 -25.8 -29.1 111 112 A L H <> S+ 0 0 43 -3,-0.6 4,-1.9 -4,-0.3 3,-0.3 0.982 74.1 54.2 -59.9 -62.2 52.2 -29.4 -28.0 112 113 A P H 4 S+ 0 0 100 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.812 114.0 44.9 -41.3 -40.5 54.3 -31.0 -30.8 113 114 A S H >4 S+ 0 0 59 -4,-0.2 3,-1.7 1,-0.2 8,-0.2 0.917 108.0 57.1 -68.9 -46.4 57.0 -28.4 -29.9 114 115 A A H >< S+ 0 0 2 -4,-2.2 3,-0.8 -3,-0.3 7,-0.5 0.824 105.0 51.6 -54.2 -37.1 56.7 -28.8 -26.2 115 116 A K T 3< S+ 0 0 63 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.539 106.3 55.7 -81.5 -7.2 57.5 -32.5 -26.5 116 117 A E T < S+ 0 0 73 -3,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 -0.077 111.1 35.6-115.5 32.1 60.6 -31.9 -28.5 117 118 A S <> - 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0 0 64 2,-0.0 2,-0.2 0, 0.0 -3,-0.1 -0.487 58.6-174.7 -86.6 64.5 17.1 -29.0 -4.9 284 329 A S < + 0 0 61 -2,-1.4 -5,-0.0 -5,-0.9 0, 0.0 -0.425 23.9 147.3 -76.0 135.9 15.2 -28.0 -1.7 285 330 A K + 0 0 177 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.550 66.5 37.6-142.6 -24.0 16.9 -28.7 1.6 286 331 A T S S+ 0 0 139 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.069 73.6 143.3-129.6 25.6 16.1 -26.1 4.3 287 332 A R + 0 0 85 1,-0.2 3,-0.1 -8,-0.1 -115,-0.0 -0.470 14.2 165.1 -74.8 132.5 12.4 -25.3 3.6 288 333 A K + 0 0 82 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.791 56.4 58.9-111.5 -62.7 10.2 -24.8 6.7 289 334 A T + 0 0 28 -116,-0.2 -116,-0.5 4,-0.1 -1,-0.2 -0.652 65.7 164.2 -81.2 114.0 6.8 -23.2 5.7 290 335 A T > - 0 0 38 -2,-0.7 4,-1.8 -3,-0.1 5,-0.1 -0.553 52.6 -93.5-119.0-177.0 4.9 -25.3 3.3 291 336 A S H > S+ 0 0 11 -19,-0.3 4,-1.0 2,-0.2 -18,-0.1 0.883 123.6 57.8 -70.3 -37.8 1.3 -25.4 2.1 292 337 A E H >4 S+ 0 0 68 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.889 105.2 54.0 -55.8 -39.3 0.3 -28.0 4.7 293 338 A T H >4 S+ 0 0 60 1,-0.3 3,-2.2 2,-0.2 -2,-0.2 0.966 104.7 52.0 -55.9 -53.6 1.5 -25.5 7.2 294 339 A V H >< S+ 0 0 2 -4,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.685 91.7 77.8 -59.0 -16.7 -0.8 -22.9 5.6 295 340 A R G X< + 0 0 150 -4,-1.0 3,-0.8 -3,-0.5 -1,-0.3 0.383 69.7 83.0 -78.1 7.6 -3.5 -25.5 6.1 296 341 A A G X + 0 0 68 -3,-2.2 3,-2.0 1,-0.2 -1,-0.3 0.375 63.5 93.9 -80.0 0.9 -3.5 -24.4 9.8 297 342 A V G < + 0 0 65 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.610 63.0 80.6 -66.6 -11.9 -5.7 -21.7 8.2 298 343 A L G < 0 0 92 -3,-0.8 -1,-0.3 -4,-0.0 -2,-0.1 0.715 360.0 360.0 -65.0 -20.8 -8.4 -24.1 9.4 299 344 A D < 0 0 128 -3,-2.0 -3,-0.0 0, 0.0 0, 0.0 -0.525 360.0 360.0 -70.8 360.0 -7.9 -22.5 12.8