==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 14-MAY-82 2SNS . COMPND 2 MOLECULE: THERMONUCLEASE PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.LEGG,F.A.COTTON,E.E.HAZEN JR. . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 18.4 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 16 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 A > 0 0 111 0, 0.0 4,-0.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -23.7 1.9 42.1 27.4 2 2 A T T 4 - 0 0 136 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.192 360.0 -34.4 22.6-127.4 2.6 45.8 27.2 3 3 A S T 4 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.811 105.2 115.0 -87.5 -30.4 1.6 47.0 23.7 4 4 A T T 4 S- 0 0 50 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.544 77.4-131.1 -0.6 -70.2 2.7 43.7 22.0 5 5 A K < - 0 0 166 -4,-0.8 2,-0.5 1,-0.3 -1,-0.2 0.816 57.4 -45.2 104.7 53.4 -0.9 43.1 21.1 6 6 A K S S+ 0 0 137 -5,-0.3 -1,-0.3 2,-0.0 2,-0.2 -0.837 121.7 19.5 99.3-127.9 -1.6 39.5 22.2 7 7 A L S S- 0 0 25 -2,-0.5 2,-0.3 -3,-0.1 70,-0.1 -0.571 75.3-137.1 -81.1 143.0 1.1 37.0 21.3 8 8 A H - 0 0 104 68,-0.2 68,-0.7 -2,-0.2 2,-0.6 -0.718 4.4-140.7-100.5 151.4 4.5 38.2 20.4 9 9 A K E -A 75 0A 77 -2,-0.3 66,-0.2 66,-0.2 -2,-0.0 -0.940 18.1-164.5-115.0 112.8 6.7 36.9 17.5 10 10 A E E -A 74 0A 40 64,-2.7 64,-3.6 -2,-0.6 17,-0.0 -0.846 17.0-126.1-101.3 136.0 10.4 36.5 18.3 11 11 A P E +A 73 0A 97 0, 0.0 2,-0.3 0, 0.0 63,-0.2 0.106 35.7 170.7 -52.9-173.5 13.1 36.1 15.6 12 12 A A E -A 72 0A 18 60,-0.7 60,-0.9 15,-0.1 2,-0.4 -0.928 31.4-110.9 167.4 160.9 15.4 33.1 15.9 13 13 A T - 0 0 92 -2,-0.3 13,-2.1 58,-0.1 2,-0.3 -0.938 29.4-122.5-115.9 132.3 18.0 31.3 13.9 14 14 A L E +D 25 0B 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.539 35.7 165.6 -73.6 131.2 17.6 27.8 12.5 15 15 A I E - 0 0 72 9,-2.3 2,-0.3 -2,-0.3 10,-0.2 0.771 60.4 -19.1-107.9 -69.6 20.1 25.3 13.8 16 16 A K E -D 24 0B 125 8,-0.9 8,-2.9 47,-0.0 2,-0.5 -0.976 53.8-140.9-149.9 131.0 19.0 21.7 13.1 17 17 A A E -D 23 0B 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.786 12.2-175.1 -95.3 130.3 15.7 20.2 12.2 18 18 A I - 0 0 73 4,-2.4 2,-0.2 -2,-0.5 5,-0.2 0.941 60.3 -46.7 -83.0 -62.1 14.8 16.8 13.7 19 19 A D S S- 0 0 10 3,-1.3 -1,-0.2 39,-0.1 40,-0.1 -0.682 79.8 -52.7-150.6-155.7 11.5 16.0 12.0 20 20 A G S S+ 0 0 0 35,-0.3 39,-0.1 22,-0.2 83,-0.1 0.977 131.9 30.4 -58.6 -60.5 8.1 17.5 11.2 21 21 A D S S+ 0 0 9 21,-0.1 15,-1.7 1,-0.1 2,-0.4 0.539 113.4 58.3 -79.9 -10.1 7.3 18.6 14.7 22 22 A T E + E 0 35B 9 13,-0.2 -4,-2.4 14,-0.0 -3,-1.3 -0.961 48.5 151.8-133.9 128.4 10.7 19.4 16.3 23 23 A V E -DE 17 34B 9 11,-1.2 11,-3.4 -2,-0.4 2,-0.6 -0.974 38.9-113.9-146.6 160.3 13.8 21.6 15.7 24 24 A K E +DE 16 33B 62 -8,-2.9 -9,-2.3 -2,-0.3 -8,-0.9 -0.823 37.7 177.5 -96.4 121.6 16.7 23.4 17.4 25 25 A L E -DE 14 32B 0 7,-3.1 7,-1.0 -2,-0.6 2,-0.8 -0.862 35.9-128.0-122.2 155.9 16.5 27.2 17.3 26 26 A M > + 0 0 52 -13,-2.1 2,-0.9 -2,-0.3 3,-0.5 -0.430 35.9 177.7 -99.1 57.4 18.7 29.9 18.7 27 27 A Y T 3 S- 0 0 36 -2,-0.8 -15,-0.1 1,-0.2 -2,-0.1 -0.481 74.0 -14.0 -66.8 103.9 15.9 31.9 20.4 28 28 A K T 3 S- 0 0 131 -2,-0.9 -1,-0.2 -17,-0.1 -16,-0.0 0.989 126.9 -50.9 63.3 80.5 17.8 34.7 22.1 29 29 A G S < S+ 0 0 56 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.0 0.666 112.2 82.0 22.5 122.4 21.4 33.5 22.0 30 30 A Q S S- 0 0 146 -4,-0.0 -3,-0.2 2,-0.0 -5,-0.1 0.158 81.4-102.2 122.5 119.7 21.5 29.9 23.3 31 31 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.364 49.2 162.1 -66.1 145.3 20.7 26.7 21.5 32 32 A M E -E 25 0B 62 -7,-1.0 -7,-3.1 -2,-0.1 2,-0.4 -0.963 33.0-127.0-165.4 146.5 17.3 25.1 22.3 33 33 A T E -E 24 0B 49 -2,-0.3 55,-1.4 -9,-0.3 2,-0.4 -0.785 25.9-150.4-101.8 141.8 14.9 22.6 20.8 34 34 A F E -Ef 23 88B 9 -11,-3.4 -11,-1.2 -2,-0.4 2,-0.4 -0.911 7.1-148.6-120.7 143.5 11.3 23.4 20.1 35 35 A R E -Ef 22 89B 17 53,-5.7 55,-1.7 -2,-0.4 2,-0.8 -0.862 27.4-116.8-106.8 135.6 8.0 21.5 20.0 36 36 A L E - f 0 90B 3 -15,-1.7 55,-0.2 -2,-0.4 53,-0.1 -0.570 32.0-127.6 -74.6 105.1 5.1 22.4 17.7 37 37 A L S S+ 0 0 8 53,-1.0 76,-0.1 -2,-0.8 77,-0.1 -0.167 83.8 1.7 -52.4 137.1 2.0 23.4 19.8 38 38 A L S S+ 0 0 7 75,-0.3 75,-0.2 1,-0.1 2,-0.2 0.942 113.3 93.7 45.4 84.5 -1.3 21.6 19.0 39 39 A V - 0 0 0 73,-1.5 2,-0.4 72,-0.1 72,-0.2 -0.673 50.4-164.0 164.9 138.1 0.2 19.3 16.3 40 40 A D B -I 110 0C 35 70,-2.3 70,-2.6 -2,-0.2 3,-0.0 -0.994 8.8-155.0-138.3 135.4 1.7 15.8 16.0 41 41 A T - 0 0 0 -2,-0.4 68,-0.2 68,-0.2 3,-0.1 -0.808 44.3 -79.8-106.0 148.9 3.8 14.4 13.1 42 42 A P - 0 0 9 0, 0.0 -22,-0.2 0, 0.0 -21,-0.1 -0.196 63.2 -97.7 -46.8 121.8 4.0 10.7 12.3 43 43 A E + 0 0 37 1,-0.1 9,-1.0 8,-0.1 3,-0.1 0.041 44.8 176.9 -42.0 151.7 6.5 9.3 14.8 44 44 A T + 0 0 38 7,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.569 60.6 27.4-130.8 -40.2 9.9 9.0 13.3 45 45 A K S S+ 0 0 127 3,-0.1 5,-0.3 6,-0.0 0, 0.0 -0.154 77.7 80.3-108.7-155.5 12.2 7.7 16.1 46 46 A H - 0 0 108 1,-0.1 4,-0.3 3,-0.1 0, 0.0 0.815 66.4-130.3 53.0 119.8 11.5 5.6 19.2 47 47 A P S S+ 0 0 120 0, 0.0 2,-8.0 0, 0.0 -1,-0.1 0.883 86.3 106.1 -62.9 -37.4 11.4 2.0 18.5 48 48 A K S S- 0 0 113 1,-0.1 2,-0.3 2,-0.0 -3,-0.1 0.048 108.6 -14.2 -38.9 54.4 8.2 2.0 20.5 49 49 A K S S- 0 0 98 -2,-8.0 2,-0.3 -5,-0.0 -1,-0.1 -0.879 87.8-126.4 146.9-109.5 6.6 1.7 17.0 50 50 A G - 0 0 34 -2,-0.3 2,-1.1 -5,-0.3 -5,-0.0 -0.957 60.9 -12.1 156.3-161.0 8.5 2.4 13.8 51 51 A V - 0 0 105 -2,-0.3 2,-0.2 1,-0.1 -7,-0.2 -0.531 64.1-145.7 -72.6 98.2 8.1 4.6 10.7 52 52 A E > - 0 0 57 -2,-1.1 3,-0.9 -9,-1.0 -1,-0.1 -0.425 36.4 -91.8 -63.9 124.5 4.5 5.9 10.8 53 53 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 86,-0.1 -0.114 121.1 22.9 -38.9 119.3 3.1 6.2 7.2 54 54 A Y T 3 S+ 0 0 44 -3,-0.1 4,-0.5 84,-0.1 -1,-0.3 0.728 97.6 115.5 89.8 25.9 4.0 9.8 6.2 55 55 A G S <> S+ 0 0 0 -3,-0.9 4,-0.6 2,-0.2 -35,-0.3 0.932 71.5 39.5 -92.8 -61.1 6.8 9.9 8.8 56 56 A P T >4 S+ 0 0 68 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.966 126.1 40.6 -50.3 -56.9 10.0 10.2 7.0 57 57 A E G >4 S+ 0 0 98 1,-0.3 3,-6.0 2,-0.2 4,-0.3 0.964 102.0 67.8 -58.5 -55.5 8.3 12.6 4.6 58 58 A A G 34 S+ 0 0 0 -4,-0.5 4,-0.5 1,-0.3 -1,-0.3 0.706 109.0 42.4 -40.1 -17.8 6.3 14.3 7.3 59 59 A S G S+ 0 0 58 -4,-0.3 4,-1.0 -3,-0.2 5,-0.2 0.619 106.4 48.8-125.1 -50.9 8.8 19.3 4.8 62 62 A T H > S+ 0 0 2 -4,-0.5 4,-1.8 3,-0.2 5,-0.2 0.929 107.1 60.8 -60.3 -47.4 9.7 21.1 8.1 63 63 A K H >X S+ 0 0 92 -4,-1.2 3,-2.4 2,-0.2 4,-1.9 0.918 113.9 27.5 -42.4 -92.7 13.4 20.7 7.4 64 64 A K H >>>S+ 0 0 92 1,-0.3 3,-1.6 2,-0.3 4,-1.5 0.898 112.1 65.0 -35.6 -76.4 13.8 22.7 4.2 65 65 A M H 3<5S+ 0 0 34 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.714 114.4 37.3 -19.1 -41.2 10.9 25.0 4.7 66 66 A V H <<5S+ 0 0 7 -3,-2.4 -1,-0.3 -4,-1.8 -2,-0.3 0.864 121.0 45.4 -82.8 -39.3 13.1 26.1 7.6 67 67 A E H <<5S+ 0 0 104 -4,-1.9 -2,-0.2 -3,-1.6 -3,-0.2 0.949 112.2 49.9 -67.9 -51.2 16.3 25.7 5.6 68 68 A N T <5S+ 0 0 120 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 0.607 97.7 94.5 -63.0 -12.8 15.0 27.5 2.5 69 69 A A < - 0 0 14 -5,-0.8 3,-0.1 -3,-0.2 -55,-0.1 -0.622 63.6-158.3 -84.4 142.4 13.9 30.2 4.9 70 70 A K S S+ 0 0 183 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.600 79.6 5.6 -91.3 -15.0 16.1 33.2 5.4 71 71 A K - 0 0 138 -58,-0.1 24,-0.4 -5,-0.0 2,-0.3 -0.978 63.1-171.5-163.5 156.3 14.5 34.0 8.8 72 72 A I E -A 12 0A 4 -60,-0.9 -60,-0.7 -2,-0.3 2,-0.3 -0.992 7.2-153.5-154.2 152.1 12.0 32.6 11.2 73 73 A E E -AB 11 93A 61 20,-1.8 20,-4.2 -2,-0.3 2,-0.4 -0.852 11.8-134.6-126.6 162.5 10.1 33.6 14.4 74 74 A V E -A 10 0A 0 -64,-3.6 -64,-2.7 -2,-0.3 2,-0.6 -0.956 8.8-153.9-122.2 138.3 8.6 31.8 17.3 75 75 A E E -A 9 0A 18 -2,-0.4 16,-1.0 -66,-0.2 2,-0.3 -0.948 8.4-151.5-115.2 116.2 5.2 32.5 18.9 76 76 A F B -G 90 0B 42 -68,-0.7 -68,-0.2 -2,-0.6 14,-0.1 -0.667 13.7-143.6 -81.9 141.9 4.7 31.6 22.5 77 77 A N - 0 0 6 12,-0.6 -69,-0.2 -2,-0.3 41,-0.2 0.538 33.0 -94.3 -72.7-135.3 1.0 30.7 23.4 78 78 A K S S+ 0 0 109 39,-0.2 40,-0.2 2,-0.1 3,-0.1 0.346 100.9 64.1-130.3 -2.9 -0.4 31.7 26.8 79 79 A G S S- 0 0 18 1,-0.3 2,-0.1 38,-0.1 36,-0.0 0.202 104.7 -18.6 -96.8-140.6 0.2 28.5 28.8 80 80 A Q - 0 0 101 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.337 51.6-141.7 -68.6 148.5 3.6 26.9 29.6 81 81 A R S S+ 0 0 112 1,-0.2 8,-1.2 -3,-0.1 2,-0.3 0.759 83.1 13.7 -82.9 -27.2 6.6 27.9 27.6 82 82 A T B S-H 88 0B 64 6,-0.3 6,-0.3 -48,-0.1 -1,-0.2 -0.975 75.2-121.0-147.1 158.7 8.0 24.4 27.6 83 83 A D > - 0 0 34 4,-2.1 2,-3.0 -2,-0.3 3,-2.5 -0.517 52.8 -73.7 -97.5 168.3 6.9 20.9 28.3 84 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.305 125.8 56.2 -62.0 75.2 8.4 18.4 30.8 85 85 A Y T 3 S- 0 0 173 -2,-3.0 -1,-0.3 2,-0.0 3,-0.1 0.209 115.4 -99.9-174.4 -28.1 11.4 17.8 28.6 86 86 A G S < S+ 0 0 44 -3,-2.5 2,-0.7 1,-0.3 -53,-0.3 0.336 84.0 126.6 105.7 -2.3 13.0 21.2 28.0 87 87 A R - 0 0 72 -4,-0.4 -4,-2.1 -55,-0.1 -1,-0.3 -0.796 54.0-141.7 -93.8 111.7 11.4 21.5 24.6 88 88 A G E -fH 34 82B 2 -55,-1.4 -53,-5.7 -2,-0.7 2,-0.5 -0.401 10.9-137.4 -70.3 151.2 9.4 24.8 24.2 89 89 A L E +f 35 0B 29 -8,-1.2 -12,-0.6 -55,-0.2 2,-0.3 -0.944 40.1 133.4-116.0 129.2 6.1 24.7 22.3 90 90 A A E -fG 36 76B 0 -55,-1.7 -53,-1.0 -2,-0.5 -14,-0.2 -0.951 64.4-102.8-161.1 169.1 5.1 27.4 19.8 91 91 A Y - 0 0 0 -16,-1.0 8,-0.4 -2,-0.3 9,-0.3 0.029 50.3-148.3 -90.8 28.7 3.7 27.7 16.2 92 92 A I - 0 0 4 -17,-0.2 7,-1.0 -57,-0.2 8,-0.5 0.506 11.5-139.4 1.8 126.2 7.2 28.5 15.0 93 93 A Y E -BC 73 98A 13 -20,-4.2 -20,-1.8 5,-0.2 2,-0.4 -0.842 18.4-169.1-108.7 143.8 6.7 30.8 12.0 94 94 A A E > S- C 0 97A 3 3,-1.9 3,-0.9 -2,-0.4 -22,-0.2 -0.839 78.0 -29.1-136.1 97.4 8.7 30.7 8.8 95 95 A D T 3 S- 0 0 73 -24,-0.4 3,-0.1 -2,-0.4 -23,-0.1 0.809 124.3 -51.8 66.1 30.6 8.2 33.7 6.4 96 96 A G T 3 S+ 0 0 49 1,-0.3 2,-0.6 -23,-0.1 -1,-0.3 0.540 112.2 131.0 82.0 7.5 4.7 34.1 7.8 97 97 A K E < -C 94 0A 97 -3,-0.9 -3,-1.9 -32,-0.1 2,-1.4 -0.853 59.4-135.8 -98.3 117.8 4.1 30.4 7.1 98 98 A M E > -C 93 0A 11 -2,-0.6 4,-7.6 1,-0.2 5,-0.3 -0.568 18.1-169.1 -74.1 93.4 2.6 28.5 10.0 99 99 A V H > S+ 0 0 9 -2,-1.4 4,-4.2 -7,-1.0 5,-0.4 0.937 87.6 49.6 -47.9 -54.8 4.8 25.4 9.9 100 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.1 -9,-0.3 -1,-0.2 0.924 123.1 32.6 -50.9 -48.4 2.5 23.6 12.4 101 101 A E H > S+ 0 0 38 2,-0.2 4,-4.2 -10,-0.2 5,-0.3 0.899 115.6 58.5 -76.3 -45.0 -0.5 24.6 10.3 102 102 A A H X S+ 0 0 12 -4,-7.6 4,-0.6 1,-0.3 -2,-0.2 0.935 110.2 43.7 -46.5 -50.9 1.4 24.4 7.0 103 103 A L H <>S+ 0 0 0 -4,-4.2 5,-2.1 -5,-0.3 6,-0.7 0.834 114.6 51.3 -66.2 -32.1 2.1 20.8 7.8 104 104 A V H ><5S+ 0 0 0 -4,-1.1 3,-1.4 -5,-0.4 5,-0.2 0.935 104.9 53.4 -70.2 -46.9 -1.5 20.4 8.9 105 105 A R H 3<5S+ 0 0 79 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.659 110.1 55.3 -62.6 -14.2 -2.9 21.9 5.7 106 106 A Q T 3<5S- 0 0 76 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.542 109.9-114.5 -97.8 -7.7 -0.7 19.2 4.0 107 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-1.3 -4,-0.4 -3,-0.2 0.650 90.3 109.5 81.4 17.1 -1.8 15.9 5.5 108 108 A L S + 0 0 26 -2,-2.2 2,-2.0 -82,-0.1 3,-1.5 -0.225 42.2 151.4-152.2 50.5 -3.9 26.7 22.3 120 120 A T T 3 S+ 0 0 44 1,-0.3 -113,-0.1 -3,-0.2 -2,-0.1 -0.300 77.2 49.8 -81.0 52.5 -4.6 30.2 21.0 121 121 A H T 3> S+ 0 0 48 -2,-2.0 4,-1.3 -7,-0.1 5,-0.3 0.199 70.0 127.8-170.8 14.1 -4.7 28.9 17.4 122 122 A E H X> S+ 0 0 27 -3,-1.5 4,-1.2 1,-0.2 3,-1.0 0.897 72.4 41.2 -45.0 -97.6 -7.0 25.9 17.7 123 123 A Q H 3> S+ 0 0 126 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.629 105.6 66.9 -19.7 -37.8 -9.6 26.5 14.9 124 124 A H H 3> S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.987 107.8 33.3 -56.0 -71.3 -7.2 27.7 12.5 125 125 A L H X S+ 0 0 9 -4,-1.5 4,-2.9 -5,-0.2 3,-1.0 0.968 104.6 51.8 -61.2 -54.1 -7.0 23.1 7.5 129 129 A E H 3< S+ 0 0 24 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.827 108.8 54.2 -51.9 -32.8 -7.0 19.5 8.7 130 130 A A H 3X S+ 0 0 47 -4,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.848 109.7 46.2 -71.3 -34.4 -10.6 19.4 7.5 131 131 A Q H S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-0.4 0.558 118.7 42.9 -71.8 -7.9 -6.5 18.2 3.9 133 133 A K H 45S+ 0 0 106 -5,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.684 103.4 61.8-107.0 -29.0 -9.1 15.5 4.9 134 134 A K H <5S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.660 120.0 29.6 -71.8 -15.7 -11.9 16.6 2.6 135 135 A E T <5S- 0 0 78 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.699 116.5-110.0-111.8 -35.5 -9.6 15.9 -0.3 136 136 A K T 5 - 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