==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-12 4DFA . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,I.A.CLARK,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.9 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 . 6 4.7 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 82 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 159.0 2.4 -75.7 -8.2 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.984 360.0-120.4-142.1 147.1 3.0 -79.1 -6.8 3 9 A K - 0 0 85 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.604 27.3-168.6 -85.3 141.3 4.3 -80.6 -3.6 4 10 A E E -A 62 0A 23 58,-2.5 58,-2.5 -2,-0.3 2,-0.0 -0.958 26.7 -96.0-125.7 151.8 7.3 -82.8 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.274 44.7 157.7 -67.2 148.0 8.7 -85.1 -0.9 6 12 A A E -A 60 0A 10 54,-1.7 54,-0.7 15,-0.1 2,-0.3 -0.962 26.3-138.8-153.9 165.3 11.5 -84.1 1.5 7 13 A T E -D 20 0B 80 13,-1.9 13,-3.0 -2,-0.3 2,-0.3 -0.968 27.8-104.6-127.0 148.8 12.7 -85.2 4.9 8 14 A L E +D 19 0B 52 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.521 35.7 168.1 -68.6 131.7 14.0 -83.2 7.8 9 15 A I E - 0 0 72 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.773 69.2 -25.7 -98.9 -55.7 17.7 -83.2 8.4 10 16 A K E -D 18 0B 140 8,-2.1 8,-2.9 0, 0.0 -1,-0.3 -0.952 54.9-117.8-160.1 139.3 17.9 -80.4 10.9 11 17 A A E +D 17 0B 23 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.425 31.9 173.8 -66.5 146.0 16.0 -77.3 12.0 12 18 A I - 0 0 86 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.573 51.2 -43.1-119.6 -66.7 18.1 -74.1 11.6 13 19 A D S S- 0 0 22 3,-2.0 -1,-0.5 33,-0.1 3,-0.4 -0.747 75.3 -60.2-150.8-160.6 16.1 -71.0 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.839 130.5 18.5 -61.8 -36.7 12.6 -69.3 11.8 15 21 A D S S+ 0 0 8 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.280 116.9 65.7-123.6 10.3 12.9 -69.3 7.9 16 22 A T E + E 0 29B 12 -3,-0.4 -3,-2.0 13,-0.2 -4,-1.1 -0.991 51.1 169.1-131.8 146.3 15.6 -71.8 7.1 17 23 A V E -DE 11 28B 11 11,-1.9 11,-3.2 -2,-0.4 2,-0.6 -0.991 32.9-122.3-150.1 147.3 15.7 -75.5 7.5 18 24 A K E +DE 10 27B 69 -8,-2.9 -9,-2.7 -2,-0.3 -8,-2.1 -0.868 40.7 170.8 -97.2 121.1 18.0 -78.3 6.3 19 25 A L E -DE 8 26B 1 7,-2.7 7,-2.6 -2,-0.6 2,-0.6 -0.899 37.3-122.3-124.4 155.2 16.1 -80.9 4.3 20 26 A M E +DE 7 25B 80 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.4 -0.905 36.5 178.1 -95.3 123.7 16.9 -83.9 2.2 21 27 A Y E > - E 0 24B 22 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.991 68.7 -7.2-132.5 127.8 15.4 -83.3 -1.2 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.1 -2,-0.4 -16,-0.1 0.828 131.8 -57.9 47.8 39.2 15.8 -85.8 -4.1 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.526 117.7 105.7 81.5 3.0 18.3 -87.6 -1.8 24 30 A Q E < S-E 21 0B 127 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.3 -0.939 72.5-115.2-121.9 140.2 20.6 -84.6 -1.3 25 31 A P E +E 20 0B 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.553 43.3 167.0 -69.4 137.3 21.0 -82.4 1.7 26 32 A M E -E 19 0B 41 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.5 -0.998 37.0-126.0-148.6 146.6 20.0 -78.8 1.1 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.830 31.2-154.3 -87.6 126.0 19.3 -75.7 3.1 28 34 A F E -Ef 17 76B 8 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.5 -0.902 7.0-156.9-102.1 136.5 15.9 -74.3 2.2 29 35 A R E -Ef 16 77B 23 47,-3.3 49,-1.4 -2,-0.4 2,-0.3 -0.965 28.3-117.1-106.0 129.1 14.9 -70.7 2.6 30 36 A A E > - f 0 78B 12 -15,-2.8 3,-1.0 -2,-0.5 49,-0.2 -0.450 31.4-119.6 -71.6 124.0 11.1 -70.1 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.3 -1,-0.1 -0.304 84.2 7.7 -60.3 144.4 9.7 -68.0 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.6 1,-0.2 2,-0.3 0.476 107.8 92.2 70.7 13.6 7.9 -64.7 0.7 33 39 A V E < -H 99 0C 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.908 51.2-159.9-135.5 164.7 8.7 -64.4 4.4 34 40 A D E -H 98 0C 55 64,-1.9 64,-2.2 -2,-0.3 3,-0.1 -0.911 9.4-169.6-143.8 114.7 11.3 -62.9 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.705 36.6 -98.0 -91.0 157.3 11.7 -64.1 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.304 46.8-100.4 -63.7 149.7 13.9 -62.1 12.8 37 43 A E > - 0 0 89 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.369 36.4-103.8 -65.0 157.8 17.4 -63.5 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.837 123.7 54.6 -54.5 -35.2 18.0 -65.6 16.3 39 51 A N T 3 S+ 0 0 140 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.587 100.7 79.1 -73.6 -6.1 19.8 -62.7 18.0 40 52 A E S X S- 0 0 98 -3,-2.2 3,-2.2 1,-0.1 2,-0.0 -0.491 99.7 -73.0-100.7 167.4 16.8 -60.3 17.4 41 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.364 121.9 8.4 -62.6 133.6 13.5 -59.8 19.2 42 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.8 -3,-0.1 -1,-0.3 0.323 97.9 113.8 69.9 2.6 11.1 -62.8 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.9 -6,-0.3 -5,-0.2 0.952 77.6 44.7 -64.0 -48.0 14.0 -64.6 16.7 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.896 114.7 50.0 -64.9 -36.5 14.2 -67.4 19.2 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 110.9 48.8 -64.7 -41.2 10.4 -67.7 19.2 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.945 112.5 49.6 -63.5 -45.1 10.4 -67.9 15.3 47 59 A S H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.901 111.9 47.0 -58.5 -46.9 13.1 -70.6 15.5 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.882 110.4 53.3 -64.9 -34.3 11.2 -72.6 18.0 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.958 113.4 40.7 -66.7 -47.7 8.0 -72.3 16.1 50 62 A T H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.923 113.6 55.3 -67.1 -37.7 9.5 -73.6 12.8 51 63 A K H X S+ 0 0 97 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.922 110.0 46.1 -59.6 -48.5 11.5 -76.3 14.7 52 64 A K H X S+ 0 0 134 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.940 112.0 51.3 -61.7 -43.9 8.4 -77.7 16.4 53 65 A M H X S+ 0 0 28 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.924 116.8 37.3 -61.3 -45.9 6.5 -77.7 13.1 54 66 A V H < S+ 0 0 6 -4,-2.6 3,-0.4 2,-0.2 -1,-0.2 0.897 116.7 51.0 -80.3 -31.5 9.1 -79.6 11.1 55 67 A E H < S+ 0 0 94 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.854 112.7 46.2 -72.5 -31.3 10.2 -82.0 13.9 56 68 A N H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.635 89.8 108.3 -86.2 -11.9 6.7 -83.0 14.7 57 69 A A < - 0 0 19 -4,-0.8 3,-0.2 -3,-0.4 -3,-0.0 -0.410 52.7-161.5 -68.6 137.8 5.6 -83.6 11.1 58 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.811 87.2 30.0 -76.8 -29.6 5.1 -87.1 9.8 59 71 A K - 0 0 117 -52,-0.1 24,-2.9 2,-0.0 2,-0.4 -0.975 66.8-170.2-138.5 116.7 5.4 -85.7 6.3 60 72 A I E +AB 6 82A 16 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.876 12.4 179.6-101.5 142.1 7.4 -82.7 5.0 61 73 A E E -AB 5 81A 32 20,-2.2 20,-3.1 -2,-0.4 2,-0.4 -0.978 15.3-149.9-134.6 154.0 6.9 -81.5 1.5 62 74 A V E -AB 4 80A 0 -58,-2.5 -58,-2.5 -2,-0.3 2,-0.5 -0.925 5.7-163.4-119.2 145.8 8.5 -78.7 -0.5 63 75 A E E - B 0 79A 8 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.951 9.3-151.6-129.2 119.0 6.8 -76.8 -3.3 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.455 13.9-133.5 -81.4 155.7 8.8 -74.7 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.174 35.3 -87.5 -92.0-163.2 7.3 -71.7 -7.3 66 78 A K S S+ 0 0 170 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.560 104.5 43.3 -85.8 -14.1 7.5 -70.8 -11.1 67 79 A G S S+ 0 0 33 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.147 105.8 2.1-108.9-140.9 10.8 -68.9 -10.9 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.233 47.9-169.5 -52.7 134.7 14.3 -69.2 -9.3 69 81 A R S S+ 0 0 116 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.558 73.2 35.8-104.7 -15.3 14.6 -72.5 -7.3 70 82 A T B S-G 76 0B 66 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.968 76.1-137.5-135.2 147.2 17.8 -71.6 -5.6 71 83 A D > - 0 0 22 4,-2.1 3,-2.3 -2,-0.3 -2,-0.0 -0.424 41.7 -85.7 -92.8-176.9 19.2 -68.3 -4.3 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.584 128.5 55.0 -65.9 -14.9 22.6 -66.8 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.331 120.7-106.4 -96.3 6.1 23.7 -68.7 -1.5 74 86 A G S < S+ 0 0 50 -3,-2.3 2,-0.3 1,-0.3 -47,-0.3 0.612 72.2 145.6 78.4 9.3 22.6 -72.1 -3.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.1 -47,-0.1 -1,-0.3 -0.658 54.1-115.4 -79.2 140.0 19.6 -72.3 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.3 -2,-0.3 2,-0.6 -0.517 24.3-145.7 -65.2 138.0 16.5 -73.9 -2.0 77 89 A L E +f 29 0B 19 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.952 42.9 126.4-111.2 115.0 13.6 -71.4 -2.3 78 90 A A E -f 30 0B 4 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.958 63.4-100.5-155.4 166.1 10.3 -73.1 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.892 43.9-148.5 -89.6 128.1 7.0 -73.2 0.3 80 92 A A E -B 62 0A 13 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.871 10.7-162.5-105.2 139.0 7.5 -75.8 3.0 81 93 A Y E -BC 61 86A 17 -20,-3.1 -20,-2.2 -2,-0.4 2,-0.5 -0.963 10.0-163.1-122.2 141.1 4.6 -78.0 4.4 82 94 A A E > S-BC 60 85A 8 3,-2.6 3,-2.2 -2,-0.4 -22,-0.2 -0.980 85.4 -23.8-122.6 110.2 4.3 -80.0 7.5 83 95 A D T 3 S- 0 0 86 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.898 129.6 -50.0 49.0 45.8 1.5 -82.6 7.4 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.379 113.6 117.9 85.6 -11.2 -0.1 -80.4 4.8 85 97 A K E < -C 82 0A 116 -3,-2.2 -3,-2.6 3,-0.0 2,-0.5 -0.853 67.8-122.2 -93.3 127.4 0.2 -77.1 6.7 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.537 14.4-158.3 -70.8 122.3 2.3 -74.4 5.1 87 99 A V H > S+ 0 0 6 -7,-3.0 4,-2.5 -2,-0.5 5,-0.2 0.916 92.0 56.0 -60.5 -46.1 5.1 -73.3 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.925 112.2 41.3 -57.5 -48.1 5.5 -70.0 5.5 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.867 111.7 55.4 -63.9 -46.5 1.8 -69.1 6.1 90 102 A A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 6,-0.2 0.899 106.8 50.6 -60.0 -41.7 1.8 -70.3 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.7 0.937 114.0 44.6 -58.4 -47.6 4.8 -68.1 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.2 -2,-0.2 0.940 110.4 54.7 -63.3 -46.2 3.1 -65.0 9.1 93 105 A R H 3<5S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.6 48.0 -56.9 -33.9 -0.3 -65.9 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.364 115.2-113.3 -89.7 4.9 1.3 -66.0 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 -4,-0.2 -3,-0.2 0.780 87.0 116.1 66.4 30.8 3.2 -62.7 13.8 96 108 A L S - 0 0 153 -2,-1.2 3,-2.1 3,-0.4 -3,-0.0 -0.811 34.8 -99.8 -94.4 140.7 10.1 -61.1 -6.3 104 116 A K T 3 S+ 0 0 206 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.151 108.2 21.7 -55.3 137.0 8.1 -61.2 -9.5 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -1,-0.3 1,-0.1 -39,-0.2 0.467 115.7 65.1 78.8 -7.4 7.6 -64.7 -10.8 106 118 A N S < S+ 0 0 10 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.372 78.0 93.0-127.3 59.4 8.1 -66.5 -7.4 107 119 A N > + 0 0 54 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.064 32.3 130.9-137.1 31.7 5.1 -65.0 -5.8 108 120 A T T 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.871 82.4 39.8 -56.1 -42.1 2.2 -67.4 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.210 81.8 112.4 -93.0 17.3 1.2 -67.4 -2.5 110 122 A E H <> S+ 0 0 36 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 0.947 78.6 43.9 -60.5 -51.0 1.7 -63.7 -1.9 111 123 A Q H > S+ 0 0 127 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.884 111.4 54.0 -66.9 -31.9 -1.9 -62.8 -1.4 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 113.2 45.0 -59.1 -44.4 -2.6 -65.8 0.8 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 109.7 53.0 -69.8 -39.1 0.3 -64.7 3.0 114 126 A R H X S+ 0 0 92 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.886 106.4 54.0 -64.3 -34.2 -0.7 -61.1 3.1 115 127 A K H X S+ 0 0 135 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.946 109.2 48.7 -65.7 -39.1 -4.2 -62.1 4.3 116 128 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.879 110.1 51.7 -64.2 -42.6 -2.5 -64.0 7.2 117 129 A E H X S+ 0 0 21 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.921 106.7 52.7 -61.7 -39.0 -0.3 -61.0 8.0 118 130 A A H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.923 110.1 49.6 -64.6 -38.3 -3.4 -58.7 8.1 119 131 A Q H X S+ 0 0 69 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.932 111.6 47.0 -63.4 -45.8 -5.0 -61.1 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.3 0.880 112.3 50.8 -65.7 -36.5 -1.9 -61.3 12.8 121 133 A K H ><5S+ 0 0 88 -4,-2.7 3,-1.1 3,-0.2 -1,-0.2 0.905 108.6 50.7 -65.4 -43.6 -1.6 -57.5 12.7 122 134 A K H 3<5S+ 0 0 169 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 113.1 47.2 -59.1 -38.7 -5.3 -57.1 13.7 123 135 A E T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.451 107.7-131.3 -81.5 -4.2 -4.7 -59.6 16.6 124 136 A K T < 5 + 0 0 139 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.872 42.2 178.6 53.3 43.5 -1.5 -57.6 17.6 125 137 A L > < - 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