==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-13 4KJN . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 33 25.6 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 . 13 10.1 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 0 1 2 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 0 0 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 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 69 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 160.5 2.7 -0.8 -8.3 2 8 A H - 0 0 153 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.956 360.0-130.8-129.6 138.8 3.5 -4.3 -7.0 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.658 27.7-170.4 -84.6 138.9 4.4 -5.7 -3.6 4 10 A E E -A 62 0A 43 58,-2.6 58,-2.7 -2,-0.4 2,-0.0 -0.914 26.2 -96.6-127.7 150.2 7.4 -8.0 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.353 45.7 155.6 -67.9 149.1 8.7 -10.1 -0.9 6 12 A A E -AB 60 21A 13 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.954 27.3-137.6-156.6 164.5 11.5 -9.2 1.6 7 13 A T E - B 0 20A 81 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.966 29.3-104.3-123.5 153.9 12.6 -10.2 5.0 8 14 A L E + B 0 19A 49 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.543 34.8 171.6 -71.3 127.8 13.8 -8.1 7.9 9 15 A I E - 0 0 79 9,-3.1 2,-0.3 1,-0.3 10,-0.2 0.774 69.4 -27.8 -95.2 -53.2 17.5 -8.3 8.4 10 16 A K E - B 0 18A 148 8,-1.8 8,-2.7 44,-0.0 -1,-0.3 -0.971 58.7-112.6-161.5 141.2 17.7 -5.5 11.0 11 17 A A E + B 0 17A 22 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.329 31.2 175.1 -65.5 148.2 15.9 -2.3 12.0 12 18 A I - 0 0 85 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.534 50.7 -46.8-120.4 -71.7 17.9 0.9 11.5 13 19 A D S S- 0 0 23 3,-2.3 3,-0.5 33,-0.1 -1,-0.5 -0.749 73.1 -60.1-151.5-162.7 15.9 4.0 12.3 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.812 131.4 19.5 -59.5 -34.9 12.5 5.6 11.7 15 21 A D S S+ 0 0 4 20,-0.1 15,-2.8 21,-0.1 2,-0.3 0.262 117.7 62.1-123.7 15.7 12.8 5.7 7.9 16 22 A T E + C 0 29A 11 -3,-0.5 -3,-2.3 13,-0.2 -4,-1.1 -0.988 51.3 168.1-139.2 146.7 15.4 3.2 7.0 17 23 A T E -BC 11 28A 5 11,-1.8 11,-3.1 -2,-0.3 2,-0.6 -0.984 33.1-120.5-152.4 152.3 15.6 -0.5 7.5 18 24 A K E +BC 10 27A 74 -8,-2.7 -9,-3.1 -2,-0.3 -8,-1.8 -0.888 40.1 169.4-105.7 119.7 17.8 -3.3 6.3 19 25 A L E -BC 8 26A 1 7,-2.4 7,-2.4 -2,-0.6 2,-0.7 -0.879 37.4-119.3-123.9 156.8 15.9 -6.0 4.4 20 26 A M E +BC 7 25A 79 -13,-3.1 -13,-1.6 -2,-0.3 2,-0.4 -0.902 36.7 178.4 -96.6 127.8 16.8 -8.9 2.2 21 27 A Y E > -BC 6 24A 20 3,-2.7 3,-2.2 -2,-0.7 -15,-0.1 -0.987 68.2 -7.0-133.9 128.7 15.4 -8.4 -1.2 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.844 130.6 -59.2 48.6 33.5 15.9 -10.8 -4.1 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.489 117.7 106.4 83.5 3.7 18.2 -12.7 -1.7 24 30 A Q E < S-C 21 0A 125 -3,-2.2 -3,-2.7 -5,-0.0 -1,-0.2 -0.913 73.4-114.4-120.3 143.6 20.6 -9.7 -1.3 25 31 A P E +C 20 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.513 43.7 168.9 -73.5 135.8 20.9 -7.4 1.7 26 32 A M E -C 19 0A 38 -7,-2.4 -7,-2.4 -2,-0.2 2,-0.5 -0.990 35.4-128.5-146.7 141.6 19.9 -3.9 1.0 27 33 A T E -C 18 0A 29 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.827 29.6-154.6 -85.3 132.1 19.2 -0.8 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.5 -0.906 7.1-156.4-108.0 133.1 15.8 0.6 2.2 29 35 A R E -Cd 16 77A 20 47,-3.6 49,-1.5 -2,-0.4 2,-0.2 -0.950 30.1-115.1-103.7 131.4 14.9 4.3 2.6 30 36 A L E > - d 0 78A 3 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.447 32.3-119.9 -67.9 124.5 11.1 4.8 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 -2,-0.2 -1,-0.1 -0.328 84.6 6.4 -61.6 143.3 9.7 6.8 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.8 74,-0.2 2,-0.3 0.502 107.9 91.1 70.4 12.7 8.0 10.1 0.7 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.889 50.4-160.2-134.4 164.7 8.7 10.5 4.4 34 40 A D E -H 98 0B 54 64,-1.8 64,-2.3 -2,-0.3 3,-0.1 -0.914 9.6-169.0-144.3 115.9 11.2 12.0 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.717 38.2 -95.2 -91.6 155.0 11.5 10.8 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.332 48.0-100.1 -63.6 148.7 13.6 12.8 12.8 37 43 A E > - 0 0 91 1,-0.1 3,-1.8 -24,-0.1 6,-0.2 -0.316 37.0-105.5 -68.5 150.8 17.1 11.4 13.2 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.856 123.5 58.4 -49.7 -32.7 17.5 9.3 16.3 39 51 A N T 3 S+ 0 0 136 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.712 99.5 75.5 -70.5 -20.2 19.4 12.2 17.9 40 52 A E S X S- 0 0 97 -3,-1.8 3,-2.1 1,-0.1 2,-0.1 -0.362 99.6 -72.9 -92.0 170.6 16.4 14.6 17.4 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.386 121.5 9.7 -65.3 138.5 13.1 14.9 19.2 42 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.335 98.6 112.8 67.0 -1.8 10.7 12.1 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.2 5,-0.2 0.940 77.2 45.5 -61.2 -48.9 13.6 10.4 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 113.2 50.4 -61.9 -39.1 13.8 7.6 19.3 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.7 48.8 -66.5 -37.9 10.0 7.2 19.1 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.937 111.1 49.2 -66.1 -47.3 10.1 7.0 15.3 47 59 A S H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.906 112.9 48.2 -55.8 -48.0 12.9 4.4 15.4 48 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.909 109.9 52.5 -61.5 -36.2 10.9 2.4 18.0 49 61 A F H X S+ 0 0 56 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.949 113.4 40.7 -66.0 -49.9 7.8 2.5 16.0 50 62 A T H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.853 115.5 52.1 -67.5 -35.5 9.4 1.3 12.7 51 63 A K H X S+ 0 0 90 -4,-2.4 4,-3.2 -5,-0.3 5,-0.3 0.952 112.9 44.8 -64.9 -47.9 11.4 -1.3 14.5 52 64 A K H X S+ 0 0 129 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.940 113.4 49.7 -61.2 -46.4 8.3 -2.6 16.3 53 65 A M H X S+ 0 0 30 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.892 117.0 40.1 -61.1 -41.4 6.2 -2.6 13.2 54 66 A A H >< S+ 0 0 9 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.929 116.9 48.5 -75.3 -41.7 8.9 -4.5 11.1 55 67 A E H 3< S+ 0 0 96 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.816 112.8 48.1 -66.3 -35.6 9.9 -7.0 13.9 56 68 A N H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.3 2,-0.2 0.601 90.7 106.0 -81.6 -12.8 6.3 -7.9 14.8 57 69 A A << - 0 0 18 -3,-0.6 3,-0.2 -4,-0.5 -3,-0.0 -0.486 54.1-161.8 -73.7 140.4 5.3 -8.5 11.2 58 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.798 86.3 31.2 -80.7 -27.0 4.8 -12.0 9.8 59 71 A K - 0 0 116 -52,-0.0 24,-2.7 2,-0.0 25,-0.4 -0.972 66.3-170.7-140.2 110.8 5.2 -10.7 6.3 60 72 A I E -AE 6 82A 15 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.861 12.4-178.2 -96.8 141.6 7.3 -7.7 5.0 61 73 A E E -AE 5 81A 31 20,-2.0 20,-3.1 -2,-0.4 2,-0.4 -0.974 15.3-148.4-134.0 150.3 6.9 -6.5 1.5 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.6 -2,-0.3 2,-0.5 -0.941 7.4-165.6-118.9 141.3 8.5 -3.8 -0.6 63 75 A E E -AE 3 79A 6 16,-2.4 16,-3.0 -2,-0.4 -60,-0.2 -0.949 8.5-153.3-128.9 113.8 6.9 -1.9 -3.3 64 76 A F E - E 0 78A 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.418 13.7-134.4 -79.4 152.5 8.9 0.2 -5.7 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.197 35.2 -87.0 -88.7-163.6 7.5 3.2 -7.4 66 78 A K S S+ 0 0 164 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.616 103.2 48.8 -84.6 -14.3 7.8 4.0 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.167 105.5 -6.6-107.7-145.7 11.1 5.9 -10.9 68 80 A Q - 0 0 120 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.3 -0.262 47.3-163.9 -62.5 139.8 14.5 5.3 -9.5 69 81 A R S S+ 0 0 124 -3,-0.1 8,-2.2 1,-0.1 2,-0.3 0.553 74.6 39.1-101.3 -14.5 14.8 2.3 -7.3 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.971 75.7-138.2-134.7 146.0 18.0 3.2 -5.6 71 83 A D > - 0 0 22 4,-2.5 3,-2.2 -2,-0.3 -2,-0.1 -0.397 42.8 -84.8 -95.3-177.0 19.2 6.5 -4.4 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.603 129.2 55.4 -63.7 -12.5 22.7 8.0 -4.8 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.225 120.5-106.7 -97.2 1.8 23.8 6.2 -1.6 74 86 A G S < S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.565 73.2 144.6 82.1 6.3 22.7 2.8 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.611 54.0-116.3 -78.0 139.3 19.7 2.6 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.7 -47,-3.6 -2,-0.3 2,-0.6 -0.540 22.5-143.2 -68.1 144.3 16.6 1.1 -2.1 77 89 A L E +d 29 0A 19 -8,-2.2 -12,-0.5 -2,-0.2 2,-0.3 -0.935 43.6 126.3-113.9 112.3 13.6 3.5 -2.4 78 90 A A E -dE 30 64A 0 -49,-1.5 -47,-2.4 -2,-0.6 2,-0.5 -0.963 62.1-100.7-152.7 168.8 10.3 1.8 -1.6 79 91 A Y E - E 0 63A 0 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.5 -0.873 42.1-149.3 -93.3 130.8 7.1 1.7 0.3 80 92 A I E - E 0 62A 6 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.908 9.6-161.1-110.7 128.3 7.5 -0.9 3.0 81 93 A Y E -GE 86 61A 16 -20,-3.1 -20,-2.0 -2,-0.5 2,-0.5 -0.872 8.8-163.2-114.1 141.4 4.5 -3.0 4.3 82 94 A A E > S-GE 85 60A 8 3,-2.7 3,-2.1 -2,-0.4 -22,-0.2 -0.987 84.7 -23.6-120.5 106.7 4.2 -4.9 7.6 83 95 A D T 3 S- 0 0 86 -24,-2.7 -23,-0.1 -2,-0.5 -1,-0.1 0.898 129.2 -50.6 50.2 45.6 1.3 -7.5 7.4 84 96 A G T 3 S+ 0 0 48 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.344 114.9 116.6 82.3 -5.3 -0.2 -5.4 4.7 85 97 A K E < -G 82 0A 115 -3,-2.1 -3,-2.7 4,-0.0 2,-0.5 -0.853 68.4-122.6 -99.4 125.9 -0.0 -2.0 6.6 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.2 -0.544 14.1-158.5 -71.1 121.5 2.2 0.6 5.0 87 99 A T H > S+ 0 0 4 -7,-3.0 4,-2.3 -2,-0.5 5,-0.3 0.892 92.3 57.6 -64.0 -41.0 4.9 1.7 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.939 111.9 41.8 -56.6 -48.9 5.4 4.9 5.5 89 101 A E H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.889 112.0 53.9 -63.7 -44.2 1.7 5.8 6.1 90 102 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 6,-0.2 0.891 107.1 51.3 -61.7 -38.8 1.6 4.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 6,-0.8 0.934 112.5 46.2 -61.6 -48.0 4.5 6.8 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.3 -2,-0.2 0.938 111.2 53.0 -63.2 -44.1 2.9 9.9 9.1 93 105 A R H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.5 50.1 -62.5 -32.4 -0.5 9.0 10.8 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.367 115.5-113.3 -84.3 4.3 1.1 8.8 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.3 2,-0.2 -3,-0.2 0.765 88.0 115.1 64.7 30.7 2.8 12.1 13.8 96 108 A L S - 0 0 152 -2,-1.4 3,-2.1 3,-0.4 -3,-0.0 -0.728 33.9-101.7 -92.2 139.5 10.3 13.6 -6.3 104 116 A K T 3 S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.215 107.1 21.4 -59.2 138.7 8.4 13.6 -9.5 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -38,-0.3 1,-0.1 -1,-0.3 0.474 116.5 65.9 78.1 -5.2 7.9 10.1 -10.9 106 118 A N S < S+ 0 0 11 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.2 -0.395 77.3 93.4-126.6 56.3 8.4 8.4 -7.5 107 119 A N > + 0 0 54 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.100 32.5 130.7-136.2 31.6 5.3 9.9 -5.9 108 120 A T T 3 S+ 0 0 66 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.860 81.2 39.6 -56.9 -42.9 2.4 7.4 -6.3 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.173 81.0 114.5 -94.9 18.2 1.3 7.4 -2.6 110 122 A E H <> S+ 0 0 38 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.948 77.1 44.1 -54.7 -48.3 1.8 11.1 -2.0 111 123 A Q H > S+ 0 0 124 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.919 109.7 55.1 -75.7 -30.7 -1.8 12.0 -1.5 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 112.4 45.4 -57.7 -43.0 -2.6 9.0 0.8 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.908 108.7 54.3 -72.5 -37.5 0.3 10.1 3.0 114 126 A R H X S+ 0 0 90 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.866 105.9 54.4 -62.2 -33.8 -0.7 13.8 3.0 115 127 A K H X S+ 0 0 133 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.937 108.6 48.0 -67.0 -37.0 -4.2 12.8 4.2 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.864 109.4 53.2 -65.8 -42.8 -2.6 10.9 7.1 117 129 A E H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.946 106.2 53.3 -59.9 -37.8 -0.4 13.9 8.0 118 130 A A H X S+ 0 0 54 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.937 110.7 47.6 -64.2 -41.6 -3.5 16.1 8.1 119 131 A Q H X S+ 0 0 62 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 111.4 48.8 -64.1 -45.7 -5.2 13.8 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.856 111.6 49.9 -61.1 -39.0 -2.2 13.5 12.8 121 133 A K H ><5S+ 0 0 99 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.879 107.7 53.8 -67.7 -40.5 -1.8 17.3 12.8 122 134 A K H 3<5S+ 0 0 172 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.906 111.1 46.3 -58.5 -42.0 -5.5 17.6 13.7 123 135 A E T 3<5S- 0 0 100 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.408 109.9-127.3 -80.5 -2.0 -5.0 15.3 16.7 124 136 A K T < 5 + 0 0 149 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.865 44.4 180.0 58.2 42.0 -1.9 17.2 17.6 125 137 A L > < - 0 0 44 -5,-2.6 3,-2.7 -6,-0.1 2,-0.3 -0.602 43.8 -56.8 -84.5 130.2 0.1 14.0 17.7 126 138 A N G > S+ 0 0 53 -2,-0.4 3,-2.0 1,-0.3 -30,-0.1 -0.244 134.9 26.9 54.9-107.0 3.8 13.8 18.5 127 139 A I G 3 S+ 0 0 41 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.781 127.7 50.4 -55.3 -32.3 5.7 16.1 16.0 128 140 A W G < 0 0 57 -3,-2.7 -1,-0.3 -33,-0.1 -2,-0.2 0.196 360.0 360.0 -93.1 13.6 2.4 18.1 15.7 129 141 A S < 0 0 102 -3,-2.0 -4,-0.1 -4,-0.2 -5,-0.1 -0.348 360.0 360.0 -88.4 360.0 2.0 18.5 19.5