==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JUL-07 2QIK . COMPND 2 MOLECULE: UPF0131 PROTEIN YKQA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.BENACH,Y.CHEN,F.FOROUHAR,J.SEETHARAMAN,M.C.BARAN, . 269 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 27.1 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 2 1 2 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 . 1 1 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 1 A X 0 0 163 0, 0.0 61,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.4 -23.4 16.9 -2.3 2 2 A N - 0 0 87 61,-0.1 2,-0.4 59,-0.0 61,-0.2 -0.233 360.0-152.8 -64.0 154.6 -21.5 19.7 -0.5 3 3 A S E -A 62 0A 33 59,-2.7 59,-2.9 91,-0.0 2,-0.2 -0.994 17.3-117.8-131.0 138.4 -18.3 20.8 -2.0 4 4 A L E -A 61 0A 46 -2,-0.4 90,-2.8 88,-0.3 2,-0.4 -0.511 34.8-164.3 -68.5 138.5 -15.2 22.4 -0.4 5 5 A L E -Ab 60 94A 0 55,-2.5 55,-2.7 88,-0.3 2,-0.5 -0.998 11.8-153.3-134.0 122.5 -14.7 25.9 -1.9 6 6 A F E -A 59 0A 2 88,-3.2 90,-0.4 -2,-0.4 2,-0.4 -0.896 16.4-169.4 -98.2 123.8 -11.5 28.0 -1.6 7 7 A V E +A 58 0A 4 51,-2.8 51,-2.2 -2,-0.5 88,-0.0 -0.932 20.1 164.6-119.2 142.8 -12.1 31.7 -1.9 8 8 A Y + 0 0 15 -2,-0.4 101,-0.5 49,-0.2 48,-0.1 0.425 64.4 24.8-132.6 -7.9 -9.5 34.4 -2.3 9 9 A G S > S- 0 0 5 34,-0.1 3,-1.9 100,-0.1 -2,-0.1 0.131 119.1 -5.6-130.1-122.2 -11.2 37.5 -3.3 10 10 A T T 3 S+ 0 0 19 1,-0.3 7,-2.0 33,-0.2 8,-0.4 0.571 124.8 60.8 -66.2 -11.1 -14.6 39.2 -3.1 11 11 A L T 3 S+ 0 0 10 6,-0.2 -1,-0.3 5,-0.1 10,-0.1 0.476 79.4 109.9 -90.1 -10.8 -16.1 36.0 -1.5 12 12 A R S X S- 0 0 7 -3,-1.9 3,-1.9 1,-0.2 6,-0.3 -0.264 88.1 -73.9 -63.8 160.3 -13.8 36.1 1.5 13 13 A K T 3 S+ 0 0 74 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 -0.217 119.6 13.8 -55.6 140.7 -15.3 37.0 4.9 14 14 A H T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.624 99.7 121.2 64.4 22.3 -16.2 40.7 5.2 15 15 A E S X S- 0 0 28 -3,-1.9 3,-2.0 -5,-0.1 4,-0.3 -0.680 79.2 -97.7-112.5 165.4 -15.8 41.3 1.5 16 16 A K T 3 S+ 0 0 162 1,-0.3 3,-0.2 -2,-0.2 -5,-0.1 0.728 119.0 37.6 -61.1 -27.0 -18.5 42.7 -0.8 17 17 A N T > S+ 0 0 23 -7,-2.0 3,-1.9 1,-0.1 4,-0.3 0.350 81.8 105.4-102.7 7.6 -19.7 39.4 -2.3 18 18 A H G X + 0 0 41 -3,-2.0 3,-2.2 -8,-0.4 4,-0.3 0.825 66.7 71.8 -61.5 -29.3 -19.4 37.2 0.8 19 19 A H G > S+ 0 0 128 -4,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.737 82.6 72.7 -58.6 -23.9 -23.2 37.2 1.3 20 20 A L G < S+ 0 0 20 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.748 88.8 59.8 -59.2 -26.1 -23.4 34.9 -1.7 21 21 A L G X S- 0 0 1 -3,-2.2 3,-2.4 -4,-0.3 -1,-0.3 0.540 87.7-174.9 -76.2 -14.2 -22.0 32.1 0.4 22 22 A A T < - 0 0 52 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 -0.181 65.3 -16.5 56.2-132.6 -25.0 32.5 2.8 23 23 A Q T 3 S+ 0 0 189 -3,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.185 88.9 150.1 -95.9 21.9 -24.6 30.3 5.8 24 24 A S < - 0 0 23 -3,-2.4 2,-0.2 1,-0.1 38,-0.2 -0.255 53.4-110.4 -49.7 132.3 -21.9 28.0 4.3 25 25 A A E -C 61 0A 53 36,-0.6 36,-2.4 1,-0.1 2,-0.7 -0.466 21.1-129.0 -68.7 136.2 -19.7 26.8 7.1 26 26 A C E +C 60 0A 55 34,-0.2 34,-0.3 1,-0.2 3,-0.2 -0.802 28.1 178.0 -85.1 113.9 -16.1 28.2 7.2 27 27 A I E S+ 0 0 66 32,-2.4 2,-0.4 -2,-0.7 33,-0.2 0.815 70.2 14.7 -84.4 -39.5 -13.9 25.1 7.5 28 28 A N E -C 59 0A 4 31,-1.9 31,-2.6 1,-0.1 -1,-0.3 -0.942 47.7-175.3-142.0 124.3 -10.6 27.0 7.4 29 29 A E E S+ 0 0 57 -2,-0.4 2,-0.5 29,-0.2 181,-0.2 0.720 86.1 53.5 -78.4 -24.2 -9.9 30.7 7.9 30 30 A Q E S+ 0 0 4 145,-0.1 57,-0.6 179,-0.1 2,-0.3 -0.954 75.6 132.2-119.1 115.2 -6.2 30.1 7.1 31 31 A A E -CD 57 86A 4 26,-0.9 26,-2.4 -2,-0.5 2,-0.3 -0.991 24.9-175.3-159.8 157.6 -5.5 28.4 3.8 32 32 A R E -CD 56 85A 34 53,-1.8 53,-2.8 -2,-0.3 2,-0.3 -0.992 9.7-160.8-155.1 160.9 -3.4 28.6 0.7 33 33 A T E -C 55 0A 8 22,-2.2 22,-3.0 -2,-0.3 2,-0.2 -0.996 38.7 -97.8-143.7 147.0 -2.7 27.1 -2.7 34 34 A K E S+C 54 0A 100 49,-0.4 2,-0.3 -2,-0.3 20,-0.3 -0.438 80.8 77.6 -68.6 128.9 0.3 27.4 -4.9 35 35 A G S S- 0 0 1 18,-1.9 2,-0.4 -2,-0.2 12,-0.2 -0.950 75.1 -77.3 157.4-176.6 -0.3 30.1 -7.6 36 36 A S E -F 46 0B 10 10,-2.4 10,-2.1 -2,-0.3 2,-0.4 -0.934 26.8-145.5-121.9 146.9 -0.4 33.8 -8.2 37 37 A L E -F 45 0B 1 67,-0.5 67,-3.0 -2,-0.4 2,-0.4 -0.893 19.4-175.3-108.9 134.5 -3.0 36.4 -7.4 38 38 A F E -FG 44 103B 30 6,-2.8 6,-2.4 -2,-0.4 2,-0.6 -0.970 28.0-129.5-128.2 147.4 -3.6 39.4 -9.6 39 39 A A E FG 43 102B 20 63,-3.1 63,-2.4 -2,-0.4 -2,-0.0 -0.880 360.0 360.0 -91.2 120.3 -5.8 42.5 -9.4 40 40 A A 0 0 63 2,-2.0 4,-0.0 -2,-0.6 62,-0.0 -0.200 360.0 360.0-118.6 360.0 -7.7 42.5 -12.8 41 ! 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 42 44 A G 0 0 53 0, 0.0 -2,-2.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 177.0 -11.8 42.1 -9.5 43 45 A P E +F 39 0B 7 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.379 360.0 173.5 -65.6 146.4 -9.1 39.7 -8.1 44 46 A T E -F 38 0B 0 -6,-2.4 -6,-2.8 53,-0.1 2,-0.3 -0.972 22.1-128.7-146.2 169.3 -8.2 36.6 -10.1 45 47 A V E -F 37 0B 3 -2,-0.3 2,-0.4 -8,-0.2 53,-0.2 -0.822 12.6-163.7-118.0 150.6 -5.7 33.7 -9.9 46 48 A V E -F 36 0B 50 -10,-2.1 -10,-2.4 -2,-0.3 2,-0.4 -0.993 6.1-155.6-135.1 137.4 -3.3 32.4 -12.5 47 49 A F + 0 0 67 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.1 -0.927 22.1 156.4-114.5 130.8 -1.5 29.0 -12.3 48 50 A N > - 0 0 69 -2,-0.4 3,-1.6 1,-0.0 -2,-0.0 -0.981 52.7-108.1-147.4 165.7 1.7 28.3 -14.1 49 51 A D T 3 S+ 0 0 154 -2,-0.3 -14,-0.0 1,-0.3 -2,-0.0 0.496 114.1 59.8 -77.7 -0.5 4.6 25.9 -13.7 50 52 A E T 3 S+ 0 0 147 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.259 72.9 127.5-104.2 9.4 6.9 28.7 -12.6 51 53 A D < + 0 0 19 -3,-1.6 -15,-0.1 1,-0.1 -17,-0.0 -0.513 24.6 167.5 -69.1 128.7 4.9 29.6 -9.6 52 54 A E + 0 0 152 -2,-0.4 2,-0.2 -17,-0.1 -1,-0.1 0.081 58.8 58.0-123.1 16.7 7.0 29.7 -6.4 53 55 A G S S- 0 0 29 -18,-0.1 -18,-1.9 -20,-0.0 2,-0.3 -0.759 74.3-110.5-136.7-172.9 4.5 31.4 -4.2 54 56 A Y E - C 0 34A 57 -20,-0.3 2,-0.5 -2,-0.2 -20,-0.2 -0.860 6.1-135.2-129.7 153.4 1.0 31.0 -2.8 55 57 A I E - C 0 33A 0 -22,-3.0 -22,-2.2 -2,-0.3 2,-0.3 -0.923 30.3-146.0-100.9 129.1 -2.5 32.5 -3.0 56 58 A Y E + C 0 32A 21 51,-2.9 53,-0.4 -2,-0.5 2,-0.3 -0.696 36.5 122.3 -98.0 146.6 -4.1 32.9 0.5 57 59 A G E - C 0 31A 3 -26,-2.4 -26,-0.9 -2,-0.3 2,-0.3 -0.895 49.7 -80.8-172.7-156.2 -7.7 32.4 1.2 58 60 A E E -A 7 0A 9 -51,-2.2 -51,-2.8 -2,-0.3 2,-0.5 -0.936 26.2-132.9-136.2 149.3 -10.4 30.6 3.1 59 61 A V E +AC 6 28A 0 -31,-2.6 -32,-2.4 -2,-0.3 -31,-1.9 -0.947 25.6 177.9-111.3 128.8 -12.2 27.2 2.8 60 62 A Y E -AC 5 26A 7 -55,-2.7 -55,-2.5 -2,-0.5 2,-0.7 -0.854 32.9-121.6-120.9 157.0 -16.0 26.9 3.0 61 63 A E E -AC 4 25A 61 -36,-2.4 -36,-0.6 -2,-0.3 2,-0.5 -0.907 37.8-167.5 -99.8 109.1 -18.4 24.0 2.7 62 64 A A E -A 3 0A 0 -59,-2.9 -59,-2.7 -2,-0.7 -41,-0.0 -0.860 11.1-142.1-104.2 128.2 -20.7 25.0 -0.1 63 65 A D > - 0 0 75 -2,-0.5 4,-2.3 -61,-0.2 5,-0.2 -0.249 35.5 -97.4 -77.3 174.8 -24.0 23.3 -1.0 64 66 A E H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 124.3 54.9 -60.5 -40.8 -25.2 22.8 -4.6 65 67 A L H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 107.9 49.6 -56.3 -48.2 -27.4 25.9 -4.5 66 68 A C H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 110.4 49.4 -59.5 -47.1 -24.4 28.0 -3.4 67 69 A I H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.915 111.2 49.7 -62.5 -40.0 -22.3 26.7 -6.3 68 70 A H H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.918 109.8 51.5 -58.3 -44.1 -25.1 27.4 -8.8 69 71 A K H X S+ 0 0 80 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 112.5 46.1 -58.1 -46.8 -25.4 30.9 -7.4 70 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 109.1 54.3 -64.2 -45.0 -21.7 31.5 -7.8 71 73 A D H < S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.2 6,-0.2 0.914 113.4 43.3 -52.2 -43.1 -21.7 30.0 -11.3 72 74 A Q H < S+ 0 0 142 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.855 115.2 47.5 -73.9 -36.8 -24.4 32.5 -12.3 73 75 A F H < S+ 0 0 103 -4,-2.1 2,-1.6 1,-0.2 -2,-0.2 0.895 104.7 60.8 -68.6 -46.3 -22.9 35.5 -10.5 74 76 A F S >< S- 0 0 23 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.2 -0.489 73.9-176.9 -87.8 63.5 -19.4 35.1 -11.9 75 77 A Q T 3 S+ 0 0 170 -2,-1.6 3,-0.1 -3,-0.3 -3,-0.1 -0.356 71.5 24.2 -60.1 139.1 -20.0 35.4 -15.6 76 78 A G T 3 S+ 0 0 67 1,-0.3 23,-0.4 -2,-0.0 2,-0.3 0.436 99.9 112.2 82.4 -6.1 -16.8 34.8 -17.6 77 79 A Y < - 0 0 52 -3,-1.9 -1,-0.3 -6,-0.2 21,-0.2 -0.775 47.8-163.6 -98.4 151.4 -15.2 32.8 -14.7 78 80 A H E - E 0 97A 123 19,-2.8 19,-2.8 -2,-0.3 2,-0.3 -0.667 10.4-140.9-116.6 169.9 -14.4 29.1 -14.9 79 81 A K E + E 0 96A 81 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.962 22.8 161.7-137.0 160.2 -13.7 26.7 -12.1 80 82 A Q E - E 0 95A 84 15,-1.9 15,-2.5 -2,-0.3 2,-0.3 -0.881 37.9 -97.2-151.6-179.6 -11.4 23.8 -11.2 81 83 A T E - E 0 94A 78 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.822 34.4-175.5-104.4 155.8 -10.2 22.1 -8.1 82 84 A V E - E 0 93A 16 11,-2.3 11,-2.5 -2,-0.3 2,-0.5 -0.956 33.3-104.8-137.2 158.4 -6.9 22.6 -6.4 83 85 A F E - E 0 92A 142 -2,-0.3 2,-0.5 9,-0.2 -49,-0.4 -0.789 39.5-157.8 -81.9 122.8 -5.0 21.1 -3.4 84 86 A V E - E 0 91A 0 7,-3.4 7,-2.7 -2,-0.5 2,-0.4 -0.934 7.2-142.3-109.8 126.9 -5.3 23.6 -0.5 85 87 A E E +DE 32 90A 65 -53,-2.8 -53,-1.8 -2,-0.5 2,-0.3 -0.725 29.0 168.5 -88.3 132.3 -2.8 23.6 2.4 86 88 A T E > -DE 31 89A 19 3,-1.1 3,-1.1 -2,-0.4 -55,-0.2 -0.830 52.3 -96.1-132.5 173.1 -4.4 24.3 5.8 87 89 A D T 3 S+ 0 0 37 -57,-0.6 3,-0.1 -2,-0.3 -56,-0.1 0.642 124.3 42.8 -68.6 -13.5 -3.2 24.1 9.4 88 90 A V T 3 S- 0 0 82 1,-0.4 -1,-0.2 86,-0.0 2,-0.2 0.158 124.5 -66.1-124.7 37.0 -4.8 20.6 9.6 89 91 A G E < - E 0 86A 35 -3,-1.1 -3,-1.1 2,-0.0 -1,-0.4 -0.688 65.1 -48.8 113.0 178.8 -3.8 19.0 6.4 90 92 A I E - E 0 85A 117 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.769 50.6-174.7 -96.1 134.6 -4.3 19.2 2.6 91 93 A K E - E 0 84A 56 -7,-2.7 -7,-3.4 -2,-0.4 2,-0.5 -0.910 24.2-127.1-127.1 151.9 -7.8 19.5 1.2 92 94 A I E + E 0 83A 93 -2,-0.3 2,-0.3 -9,-0.2 -88,-0.3 -0.842 40.5 167.3-101.3 130.7 -9.2 19.4 -2.3 93 95 A A E - E 0 82A 2 -11,-2.5 -11,-2.3 -2,-0.5 -88,-0.3 -0.982 36.7-106.8-142.4 154.0 -11.4 22.4 -3.1 94 96 A L E -bE 5 81A 26 -90,-2.8 -88,-3.2 -2,-0.3 2,-0.3 -0.416 34.0-172.5 -71.5 153.1 -13.1 24.2 -5.9 95 97 A I E - E 0 80A 0 -15,-2.5 -15,-1.9 -90,-0.2 2,-0.4 -0.989 15.5-138.0-148.4 140.3 -11.7 27.6 -7.0 96 98 A Y E + E 0 79A 13 -90,-0.4 2,-0.3 -2,-0.3 -17,-0.2 -0.791 26.5 172.6 -97.3 145.9 -13.0 30.2 -9.5 97 99 A F E - E 0 78A 44 -19,-2.8 -19,-2.8 -2,-0.4 2,-0.5 -0.993 26.4-144.5-149.5 148.7 -10.8 32.0 -12.0 98 100 A X 0 0 41 -2,-0.3 -21,-0.2 -53,-0.2 -22,-0.0 -0.981 360.0 360.0-109.9 123.9 -11.0 34.3 -14.9 99 101 A N 0 0 185 -2,-0.5 -53,-0.1 -23,-0.4 -2,-0.0 -0.364 360.0 360.0 -62.4 360.0 -8.5 33.8 -17.8 100 ! 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 0.0 101 108 A F 0 0 136 0, 0.0 2,-0.4 0, 0.0 -61,-0.2 0.000 360.0 360.0 360.0 175.7 -3.7 42.8 -14.6 102 109 A T E -G 39 0B 90 -63,-2.4 -63,-3.1 -62,-0.0 2,-0.1 -0.973 360.0-117.7-126.5 132.2 -1.2 43.4 -11.8 103 110 A K E -G 38 0B 130 -2,-0.4 2,-0.7 -65,-0.2 -65,-0.3 -0.348 13.9-141.7 -70.6 142.2 0.3 40.7 -9.6 104 111 A I > - 0 0 9 -67,-3.0 3,-1.6 1,-0.2 -67,-0.5 -0.901 12.7-156.1-100.4 104.6 -0.2 40.9 -5.8 105 112 A S T 3 S+ 0 0 120 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.844 88.5 53.9 -53.5 -37.8 3.1 39.8 -4.3 106 113 A S T 3 S- 0 0 32 2,-0.2 -1,-0.3 1,-0.1 -52,-0.1 0.662 97.2-136.3 -72.3 -16.7 1.7 38.7 -1.0 107 114 A G S < S+ 0 0 2 -3,-1.6 -51,-2.9 -70,-0.2 2,-0.5 0.579 71.9 110.3 69.2 11.6 -0.8 36.4 -2.6 108 115 A D > - 0 0 4 -53,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.943 54.0-163.2-131.2 111.5 -3.3 37.8 -0.1 109 116 A W H > S+ 0 0 33 -2,-0.5 4,-2.2 -101,-0.5 5,-0.1 0.864 93.3 49.6 -63.1 -40.6 -6.1 40.0 -1.2 110 117 A K H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 110.9 49.6 -66.1 -38.7 -6.9 41.3 2.3 111 118 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.936 110.9 51.2 -63.9 -38.8 -3.3 42.1 2.9 112 119 A H H X S+ 0 0 49 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.884 109.3 49.9 -64.2 -43.8 -3.3 43.9 -0.4 113 120 A Q H X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 6,-0.3 0.924 110.6 51.3 -61.9 -40.0 -6.4 45.9 0.6 114 121 A X H <>S+ 0 0 8 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.934 119.0 33.6 -63.3 -47.7 -4.8 46.9 3.9 115 122 A I H ><5S+ 0 0 49 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.948 118.2 49.8 -77.8 -46.0 -1.6 48.1 2.4 116 123 A S H 3<5S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 117.3 41.6 -69.7 -24.1 -2.8 49.6 -0.9 117 124 A K T 3<5S- 0 0 147 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.296 105.7-128.5-100.7 8.4 -5.6 51.6 0.9 118 125 A S T < 5 - 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0 0 18 33,-2.8 -67,-1.8 -2,-0.3 35,-0.3 -0.276 43.5-119.1 -65.3 144.8 10.5 25.1 24.0 237 244 A P - 0 0 11 0, 0.0 -67,-0.1 0, 0.0 -1,-0.1 -0.395 37.1 -96.2 -74.2 155.8 11.1 28.8 23.5 238 245 A P > - 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.423 38.0-110.8 -70.3 159.5 14.4 30.3 24.7 239 246 A Q H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.849 112.5 52.1 -63.6 -43.6 14.3 31.9 28.1 240 247 A H H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 115.3 43.4 -58.9 -50.7 14.7 35.6 27.2 241 248 A Y H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.894 111.3 54.6 -61.6 -44.9 11.8 35.3 24.7 242 249 A Q H X S+ 0 0 21 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.908 104.2 55.1 -60.2 -38.0 9.6 33.3 27.1 243 250 A I H X S+ 0 0 69 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.895 104.2 53.7 -63.1 -37.1 10.0 35.9 29.7 244 251 A E H X S+ 0 0 18 -4,-1.4 4,-2.3 -3,-0.2 5,-0.2 0.949 110.2 47.8 -58.9 -45.8 8.7 38.6 27.3 245 252 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.929 111.1 50.8 -60.7 -43.7 5.6 36.4 26.7 246 253 A E H X S+ 0 0 38 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.920 109.6 48.8 -63.7 -42.3 5.1 35.9 30.4 247 254 A R H X S+ 0 0 109 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.926 114.3 46.2 -64.3 -43.3 5.3 39.6 31.2 248 255 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.4 0.918 113.7 48.3 -68.0 -38.8 2.8 40.5 28.5 249 256 A A H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.930 110.3 51.6 -67.1 -40.9 0.4 37.7 29.5 250 257 A E H < S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.883 112.7 47.3 -61.0 -37.5 0.6 38.7 33.1 251 258 A L H < S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.909 131.0 11.0 -71.2 -41.7 -0.2 42.3 32.2 252 259 A Y H < S+ 0 0 47 -4,-2.2 -101,-0.3 -5,-0.1 -2,-0.2 0.717 105.0 75.8-110.9 -31.7 -3.2 41.6 29.8 253 260 A L S < S- 0 0 6 -4,-2.5 -70,-0.0 -5,-0.4 -102,-0.0 -0.367 83.2 -84.0 -96.7 170.3 -4.6 38.1 29.8 254 261 A S > - 0 0 22 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.420 35.8-124.5 -66.9 144.6 -6.7 36.0 32.2 255 262 A P H > S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 111.4 53.5 -53.3 -39.4 -4.9 34.4 35.0 256 263 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.917 112.4 44.1 -67.9 -40.5 -6.3 30.9 34.0 257 264 A F H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 111.9 51.8 -70.6 -41.6 -5.0 31.4 30.4 258 265 A T H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.917 109.7 50.3 -61.2 -38.9 -1.6 32.7 31.5 259 266 A E H X S+ 0 0 105 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.3 47.9 -65.2 -43.6 -1.2 29.8 33.7 260 267 A K H X S+ 0 0 131 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 111.9 49.7 -58.0 -44.5 -2.0 27.3 31.0 261 268 A L H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.916 111.5 48.5 -64.9 -45.4 0.3 29.1 28.5 262 269 A K H X S+ 0 0 58 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.920 111.6 49.6 -58.7 -47.8 3.2 29.0 31.0 263 270 A R H X S+ 0 0 166 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.915 111.5 50.0 -62.4 -37.8 2.6 25.4 31.7 264 271 A H H >X S+ 0 0 52 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.949 111.7 46.6 -62.8 -51.7 2.6 24.6 28.0 265 272 A X H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.893 114.2 48.1 -55.5 -43.1 5.8 26.5 27.3 266 273 A N H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.651 107.4 57.4 -74.9 -15.5 7.5 24.8 30.3 267 274 A S H << S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.605 84.4 103.5 -88.6 -18.6 6.3 21.3 29.2 268 275 A L S << S- 0 0 28 -4,-0.8 -33,-0.1 -3,-0.6 2,-0.1 -0.402 76.5-111.2 -72.1 148.5 7.9 21.5 25.8 269 276 A P - 0 0 82 0, 0.0 -33,-2.8 0, 0.0 2,-0.1 -0.377 36.1-109.1 -70.7 152.7 11.1 19.6 24.9 270 277 A K 0 0 172 -35,-0.2 -102,-0.1 1,-0.2 0, 0.0 -0.448 360.0 360.0 -73.7 149.5 14.2 21.6 24.3 271 278 A G 0 0 76 -35,-0.3 -1,-0.2 -2,-0.1 -103,-0.1 0.915 360.0 360.0 -59.5 360.0 15.6 21.9 20.9