==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-12 4EOA . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,S.NAM,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 23.3 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 0 0 0 1 1 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 . 1 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 7 A L 0 0 80 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.0 2.6 -0.7 -8.3 2 8 A H - 0 0 114 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.976 360.0-120.0-139.7 147.1 3.1 -4.1 -6.8 3 9 A K - 0 0 86 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.583 28.1-169.3 -77.2 140.7 4.3 -5.5 -3.6 4 10 A E E -A 62 0A 23 58,-2.5 58,-2.6 -2,-0.3 2,-0.0 -0.959 26.6 -98.6-128.4 151.1 7.4 -7.8 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.334 44.1 157.4 -70.1 151.8 8.8 -10.0 -0.8 6 12 A A E -A 60 0A 13 54,-1.7 54,-0.6 15,-0.1 2,-0.4 -0.949 26.9-136.9-155.9 162.8 11.6 -9.1 1.5 7 13 A T E -D 20 0B 81 13,-1.7 13,-2.9 -2,-0.3 2,-0.3 -0.975 28.7-105.1-122.7 152.0 12.8 -10.2 5.0 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.541 35.0 170.3 -70.5 126.4 14.0 -8.0 7.9 9 15 A I E - 0 0 78 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.756 69.1 -25.6 -93.7 -52.1 17.8 -8.1 8.4 10 16 A K E -D 18 0B 149 8,-1.9 8,-2.9 44,-0.0 -1,-0.3 -0.962 56.6-115.5-162.2 142.1 17.9 -5.3 11.0 11 17 A A E +D 17 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.396 32.0 172.7 -66.2 143.0 16.1 -2.2 12.1 12 18 A I - 0 0 87 4,-1.0 2,-0.2 1,-0.5 5,-0.2 0.567 50.0 -48.6-117.6 -67.2 18.1 1.0 11.6 13 19 A D S S- 0 0 20 3,-2.1 -1,-0.5 33,-0.1 3,-0.2 -0.730 72.3 -58.5-154.6-164.0 16.0 4.1 12.3 14 20 A G S S+ 0 0 1 22,-0.4 77,-0.1 -2,-0.2 23,-0.1 0.863 130.3 19.0 -54.6 -42.5 12.7 5.8 11.6 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.8 20,-0.1 2,-0.3 0.346 117.8 61.7-121.2 12.3 13.0 5.9 7.9 16 22 A T E + E 0 29B 13 13,-0.2 -3,-2.1 -3,-0.2 -4,-1.0 -0.973 51.5 170.4-133.8 152.5 15.7 3.3 7.0 17 23 A V E -DE 11 28B 10 11,-1.7 11,-3.2 -2,-0.3 2,-0.6 -0.987 33.2-121.3-153.6 151.2 15.8 -0.4 7.5 18 24 A K E +DE 10 27B 69 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.855 42.0 170.0-102.1 118.6 18.1 -3.2 6.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.5 -2,-0.6 2,-0.6 -0.920 37.4-122.4-123.4 154.4 16.1 -5.8 4.4 20 26 A M E +DE 7 25B 79 -13,-2.9 -13,-1.7 -2,-0.3 2,-0.4 -0.903 36.0 178.2 -94.5 124.4 17.0 -8.8 2.2 21 27 A Y E > - E 0 24B 21 3,-2.5 3,-2.1 -2,-0.6 -15,-0.1 -0.986 68.7 -6.7-133.4 123.5 15.5 -8.3 -1.2 22 28 A K T 3 S- 0 0 154 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.858 131.7 -58.4 56.6 33.4 15.9 -10.8 -4.1 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.474 117.5 107.1 80.1 9.8 18.3 -12.6 -1.7 24 30 A Q E < S-E 21 0B 126 -3,-2.1 -3,-2.5 -5,-0.0 2,-0.2 -0.913 72.1-116.1-125.7 140.2 20.7 -9.6 -1.2 25 31 A P E +E 20 0B 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.532 44.0 166.8 -71.7 132.9 21.1 -7.3 1.8 26 32 A M E -E 19 0B 41 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.5 -0.997 37.2-125.9-144.6 148.1 20.1 -3.7 1.1 27 33 A T E -E 18 0B 33 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.841 30.8-154.9 -88.9 128.8 19.4 -0.6 3.1 28 34 A F E -Ef 17 76B 4 -11,-3.2 -11,-1.7 -2,-0.5 2,-0.5 -0.910 7.2-155.5-104.7 136.8 16.0 0.8 2.2 29 35 A R E -Ef 16 77B 21 47,-3.4 49,-1.4 -2,-0.4 -13,-0.2 -0.959 28.9-117.2-106.3 127.0 15.0 4.4 2.6 30 36 A L E > - f 0 78B 7 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.437 31.3-118.2 -69.2 127.2 11.3 5.0 2.9 31 37 A L T 3 S+ 0 0 12 47,-2.2 49,-0.1 1,-0.2 -1,-0.1 -0.385 84.8 6.1 -62.8 143.9 9.7 7.0 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.518 108.3 92.7 69.7 14.2 8.0 10.4 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.903 50.6-160.5-135.0 162.2 8.8 10.7 4.4 34 40 A D E -H 98 0C 55 64,-1.8 64,-2.2 -2,-0.3 3,-0.0 -0.919 9.5-169.6-143.4 116.9 11.3 12.1 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.739 36.7 -97.2 -90.9 154.0 11.8 11.0 10.3 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.337 46.9-100.3 -63.1 147.7 13.9 12.9 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-1.7 -24,-0.1 6,-0.3 -0.280 36.1-105.0 -64.0 151.7 17.5 11.5 13.3 38 50 A F T 3 S+ 0 0 134 1,-0.2 5,-0.2 5,-0.2 -1,-0.1 0.881 123.7 56.1 -49.1 -35.8 17.9 9.4 16.3 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.2 3,-0.1 2,-0.1 0.678 100.3 77.2 -70.9 -15.3 19.8 12.3 17.9 40 52 A E S X S- 0 0 97 -3,-1.7 3,-2.0 1,-0.1 2,-0.1 -0.351 99.3 -74.1 -94.9 167.5 16.8 14.7 17.4 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.431 121.3 9.7 -64.0 136.1 13.5 15.1 19.2 42 54 A Y T 3> S+ 0 0 45 -2,-0.1 4,-2.6 -4,-0.1 -1,-0.3 0.307 98.8 111.9 71.5 -3.4 11.1 12.2 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.8 -6,-0.3 -5,-0.2 0.951 78.2 45.0 -60.1 -51.7 14.0 10.4 16.6 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.881 114.1 50.5 -60.0 -37.9 14.2 7.7 19.2 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 110.8 48.5 -67.2 -38.4 10.4 7.3 19.1 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.927 111.6 50.8 -65.5 -46.7 10.3 7.1 15.3 47 59 A S H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.896 111.3 46.9 -54.0 -48.0 13.0 4.5 15.5 48 60 A A H X S+ 0 0 59 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.881 109.5 54.9 -62.9 -37.4 11.2 2.4 18.1 49 61 A F H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.932 113.1 39.3 -63.1 -48.8 8.0 2.6 16.1 50 62 A T H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.843 113.5 55.7 -74.7 -29.2 9.5 1.2 12.9 51 63 A K H X S+ 0 0 96 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.954 112.6 43.0 -64.1 -45.9 11.6 -1.3 14.8 52 64 A K H X S+ 0 0 138 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.949 113.3 50.6 -65.2 -45.5 8.5 -2.7 16.4 53 65 A M H X S+ 0 0 29 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.885 117.6 39.6 -59.1 -41.1 6.4 -2.6 13.3 54 66 A A H < S+ 0 0 7 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.903 116.3 48.5 -76.9 -43.3 9.1 -4.5 11.3 55 67 A E H < S+ 0 0 95 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.846 112.9 48.1 -69.0 -33.5 10.2 -7.0 14.0 56 68 A N H < S+ 0 0 99 -4,-2.5 -1,-0.2 -5,-0.3 2,-0.2 0.633 90.5 106.9 -80.6 -13.2 6.5 -8.0 14.8 57 69 A A < - 0 0 19 -4,-0.5 3,-0.2 -3,-0.4 -3,-0.0 -0.433 53.3-162.5 -70.1 139.5 5.6 -8.5 11.2 58 70 A K S S+ 0 0 192 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.782 86.1 30.5 -82.1 -28.4 5.1 -12.0 9.8 59 71 A K - 0 0 118 -52,-0.0 24,-2.7 2,-0.0 25,-0.4 -0.962 67.6-169.9-139.8 109.4 5.4 -10.7 6.2 60 72 A I E -AB 6 82A 14 -54,-0.6 -54,-1.7 -2,-0.4 2,-0.3 -0.846 13.4-179.9 -94.8 141.0 7.5 -7.7 5.1 61 73 A E E -AB 5 81A 28 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.965 16.0-149.7-133.9 154.7 7.0 -6.4 1.6 62 74 A V E -AB 4 80A 1 -58,-2.6 -58,-2.5 -2,-0.3 2,-0.4 -0.942 6.2-163.2-121.5 147.6 8.6 -3.6 -0.5 63 75 A E E - B 0 79A 7 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.941 8.3-151.9-132.0 115.4 6.9 -1.7 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.434 13.9-134.7 -79.7 150.5 8.9 0.3 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.184 36.3 -87.1 -89.4-163.4 7.4 3.4 -7.4 66 78 A K S S+ 0 0 170 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.595 104.7 45.2 -84.6 -16.6 7.6 4.2 -11.1 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.199 104.9 -0.3-105.4-144.2 10.9 6.1 -11.0 68 80 A Q - 0 0 122 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.287 47.5-168.8 -53.3 132.0 14.3 5.7 -9.4 69 81 A R S S+ 0 0 118 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.544 72.8 36.6-101.1 -17.5 14.7 2.5 -7.3 70 82 A T B S-G 76 0B 70 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.980 76.4-137.4-131.2 147.9 18.0 3.4 -5.6 71 83 A D > - 0 0 23 4,-2.4 3,-2.3 -2,-0.3 -2,-0.0 -0.403 41.7 -85.2 -95.6-177.0 19.2 6.7 -4.4 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.630 129.0 54.1 -66.4 -12.3 22.7 8.2 -4.8 73 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.239 120.6-106.8 -95.8 2.8 23.9 6.4 -1.6 74 86 A G S < S+ 0 0 52 -3,-2.3 2,-0.4 1,-0.3 -47,-0.3 0.628 72.7 144.2 80.7 13.2 22.7 3.0 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.4 -47,-0.1 -1,-0.3 -0.679 54.4-115.8 -84.0 140.7 19.7 2.8 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-3.4 -2,-0.4 2,-0.6 -0.527 22.4-142.3 -70.1 145.3 16.6 1.2 -2.2 77 89 A L E +f 29 0B 20 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.948 44.1 128.2-113.4 113.9 13.7 3.6 -2.4 78 90 A A E -f 30 0B 2 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.4 -0.966 62.2-102.3-152.7 165.2 10.4 1.9 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.846 42.4-145.2 -88.9 136.1 7.2 1.9 0.3 80 92 A N E -B 62 0A 12 -2,-0.4 7,-3.0 -18,-0.2 8,-0.7 -0.876 12.6-163.6-109.8 133.1 7.6 -0.7 3.1 81 93 A Y E -BC 61 86A 16 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.5 -0.940 8.1-164.6-120.4 139.7 4.6 -2.9 4.3 82 94 A A E > S-BC 60 85A 9 3,-2.5 3,-2.2 -2,-0.4 -22,-0.2 -0.986 84.2 -23.6-123.0 112.0 4.3 -4.9 7.5 83 95 A D T 3 S- 0 0 89 -24,-2.7 -23,-0.1 -2,-0.5 -1,-0.1 0.900 130.2 -49.2 45.6 49.4 1.5 -7.5 7.4 84 96 A G T 3 S+ 0 0 50 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.324 114.1 116.7 84.4 -10.0 -0.1 -5.3 4.7 85 97 A K E < -C 82 0A 115 -3,-2.2 -3,-2.5 1,-0.0 2,-0.4 -0.845 68.3-122.3 -95.5 127.2 0.2 -2.0 6.6 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.500 13.9-158.3 -71.2 121.8 2.3 0.7 5.0 87 99 A V H > S+ 0 0 4 -7,-3.0 4,-2.3 -2,-0.4 5,-0.2 0.894 92.4 56.6 -66.3 -40.3 5.1 1.8 7.4 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.944 111.5 42.4 -58.0 -45.8 5.5 5.1 5.5 89 101 A E H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 111.7 54.4 -67.2 -44.3 1.8 5.9 6.1 90 102 A A H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.908 107.2 50.4 -60.3 -39.5 1.8 4.7 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.8 0.936 113.4 45.8 -61.3 -48.6 4.7 7.0 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.920 110.7 53.0 -62.9 -43.1 3.0 10.0 9.1 93 105 A R H 3<5S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.6 49.0 -65.5 -31.3 -0.3 9.2 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.306 115.2-113.8 -85.3 4.2 1.3 9.0 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.4 2,-0.2 -3,-0.2 0.776 87.0 116.1 64.0 32.9 3.1 12.3 13.8 96 108 A L S - 0 0 153 -2,-1.3 3,-2.2 3,-0.4 -3,-0.0 -0.764 33.6-102.6 -92.9 137.1 10.2 13.9 -6.3 104 116 A K T 3 S+ 0 0 209 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.236 107.4 22.5 -53.9 134.3 8.2 13.8 -9.6 105 117 A G T 3 S+ 0 0 38 -38,-0.1 -39,-0.3 -3,-0.0 -38,-0.3 0.346 116.6 65.1 84.4 -10.3 7.7 10.3 -10.9 106 118 A N S < S+ 0 0 11 -3,-2.2 -3,-0.4 -40,-0.2 -74,-0.1 -0.355 77.5 92.4-123.9 55.0 8.2 8.6 -7.5 107 119 A N > + 0 0 54 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.101 32.5 131.3-135.9 31.9 5.2 10.0 -5.8 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.847 82.0 40.2 -53.7 -44.6 2.3 7.6 -6.3 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.156 81.3 113.1 -92.5 17.4 1.3 7.6 -2.6 110 122 A E H <> S+ 0 0 38 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.945 78.0 44.0 -57.6 -50.1 1.7 11.3 -2.0 111 123 A Q H > S+ 0 0 126 -3,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.924 111.0 54.3 -70.3 -31.9 -1.9 12.2 -1.5 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 112.8 44.9 -57.0 -46.7 -2.6 9.2 0.8 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 110.1 53.2 -69.9 -38.2 0.3 10.3 2.9 114 126 A R H X S+ 0 0 92 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.852 106.5 54.0 -63.4 -34.3 -0.7 14.0 3.0 115 127 A K H X S+ 0 0 133 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.932 109.2 48.0 -68.6 -37.7 -4.2 13.0 4.2 116 128 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.866 109.8 53.4 -62.3 -42.8 -2.5 11.1 7.1 117 129 A E H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.938 105.6 52.8 -58.7 -39.6 -0.4 14.1 7.9 118 130 A A H X S+ 0 0 36 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 110.3 49.2 -65.4 -41.2 -3.4 16.4 8.1 119 131 A Q H X S+ 0 0 62 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.940 110.7 48.0 -62.2 -46.3 -5.0 13.9 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.864 112.5 49.8 -63.0 -37.0 -1.9 13.8 12.7 121 133 A K H ><5S+ 0 0 93 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.880 108.7 52.1 -67.7 -40.4 -1.6 17.6 12.7 122 134 A K H 3<5S+ 0 0 156 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 112.2 46.3 -59.4 -44.9 -5.3 17.9 13.7 123 135 A E T 3<5S- 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.495 108.4-129.6 -77.3 -2.7 -4.7 15.5 16.6 124 136 A K T < 5 + 0 0 137 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.880 43.1 179.3 57.4 40.2 -1.6 17.4 17.6 125 137 A L > < - 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