==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-08 3D8G . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MW . AUTHOR M.J.HARMS,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.2 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 . 31 23.8 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 1.5 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 . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 2 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 . 1 3 0 1 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 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 81 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 149.1 14.7 -6.1 -26.7 2 8 A H - 0 0 113 62,-0.3 62,-0.4 63,-0.1 2,-0.2 -0.974 360.0-129.7-133.8 143.0 14.7 -2.8 -24.9 3 9 A K - 0 0 86 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.613 24.2-174.7 -89.1 152.4 13.8 -1.7 -21.4 4 10 A E E -A 62 0A 41 58,-2.0 58,-2.8 -2,-0.2 -2,-0.0 -0.963 37.3 -75.4-141.3 158.0 11.4 1.2 -20.5 5 11 A P E -A 61 0A 108 0, 0.0 2,-0.5 0, 0.0 56,-0.3 -0.246 41.0-152.3 -53.8 133.7 10.3 3.0 -17.4 6 12 A A - 0 0 12 54,-2.7 2,-0.7 75,-0.1 54,-0.3 -0.972 0.6-154.1-109.2 123.3 7.7 1.1 -15.3 7 13 A T - 0 0 88 -2,-0.5 13,-2.8 13,-0.4 2,-0.3 -0.886 19.0-144.5 -96.5 110.6 5.3 3.1 -13.2 8 14 A L E +B 19 0A 29 -2,-0.7 11,-0.3 11,-0.2 3,-0.1 -0.587 28.5 172.1 -80.0 128.7 4.2 0.9 -10.3 9 15 A I E - 0 0 71 9,-3.3 2,-0.3 1,-0.3 10,-0.2 0.837 69.2 -40.7 -90.6 -54.7 0.7 1.1 -9.0 10 16 A K E -B 18 0A 126 8,-1.5 8,-3.3 0, 0.0 -1,-0.3 -0.955 54.4-103.9-168.0 150.3 0.9 -1.9 -6.7 11 17 A A E -B 17 0A 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.510 30.6-176.3 -71.3 150.2 2.3 -5.4 -6.4 12 18 A I E - 0 0 76 4,-1.6 2,-0.2 1,-0.5 5,-0.2 0.715 51.9 -43.3-113.5 -68.7 -0.4 -8.2 -6.8 13 19 A D E > S-B 16 0A 16 3,-1.7 3,-1.0 33,-0.1 -1,-0.5 -0.814 80.0 -54.4-148.2-165.6 1.2 -11.6 -6.3 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 29,-0.3 23,-0.1 0.771 132.3 17.0 -46.7 -38.1 4.3 -13.7 -7.2 15 21 A D T 3 S+ 0 0 6 21,-0.1 15,-2.8 20,-0.1 2,-0.3 0.193 115.3 69.7-130.0 16.6 4.0 -13.2 -10.9 16 22 A T E < +BC 13 29A 10 -3,-1.0 -3,-1.7 13,-0.2 -4,-1.6 -0.996 49.4 175.5-133.7 145.9 1.6 -10.2 -11.4 17 23 A V E -BC 11 28A 2 11,-2.0 11,-3.1 -2,-0.3 2,-0.6 -0.985 28.9-122.8-143.2 147.4 2.0 -6.5 -10.8 18 24 A K E +BC 10 27A 57 -8,-3.3 -9,-3.3 -2,-0.3 -8,-1.5 -0.853 35.8 174.0 -95.3 119.2 -0.2 -3.5 -11.4 19 25 A L E -BC 8 26A 4 7,-2.8 7,-2.8 -2,-0.6 2,-0.8 -0.841 36.1-124.8-116.0 156.4 1.5 -0.8 -13.5 20 26 A M E - C 0 25A 87 -13,-2.8 2,-0.5 -2,-0.3 -13,-0.4 -0.896 36.6-176.0 -97.0 105.3 0.2 2.4 -15.0 21 27 A Y E > - C 0 24A 32 3,-2.5 3,-1.9 -2,-0.8 -15,-0.1 -0.911 68.9 -18.7-109.0 124.3 1.1 2.0 -18.7 22 28 A K T 3 S- 0 0 172 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.883 130.0 -53.4 42.6 44.1 0.4 4.9 -21.0 23 29 A G T 3 S+ 0 0 49 -3,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.626 115.8 115.1 72.8 15.6 -1.9 6.2 -18.3 24 30 A Q E < S-C 21 0A 116 -3,-1.9 -3,-2.5 2,-0.0 2,-0.3 -0.975 70.0-124.8-116.1 124.4 -3.9 3.0 -18.0 25 31 A P E +C 20 0A 86 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.538 45.9 176.2 -62.6 127.8 -3.9 0.9 -14.8 26 32 A M E -C 19 0A 48 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.4 -0.991 34.0-129.7-147.4 128.3 -2.9 -2.5 -16.2 27 33 A T E -C 18 0A 31 -2,-0.4 49,-2.7 -9,-0.2 2,-0.5 -0.647 25.6-157.3 -73.3 129.4 -2.1 -5.9 -14.8 28 34 A F E -Cd 17 76A 2 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.5 -0.959 1.5-152.5-109.8 130.4 1.2 -7.2 -16.0 29 35 A R E -Cd 16 77A 17 47,-3.7 49,-1.4 -2,-0.5 -13,-0.2 -0.886 25.0-115.0-100.7 128.9 1.9 -10.9 -16.0 30 36 A L E > - d 0 78A 2 -15,-2.8 3,-0.8 -2,-0.5 49,-0.2 -0.436 33.7-121.4 -64.9 127.3 5.6 -12.0 -15.7 31 37 A L T 3 S+ 0 0 13 47,-2.2 49,-0.1 1,-0.2 71,-0.1 -0.388 82.6 5.8 -68.6 146.4 6.7 -13.9 -18.9 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.5 1,-0.1 2,-0.3 0.463 109.1 89.2 67.9 9.8 8.1 -17.4 -18.8 33 39 A V E < -H 99 0B 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.869 53.0-156.9-132.1 164.1 7.4 -18.2 -15.1 34 40 A D E -H 98 0B 58 64,-1.9 64,-2.1 -2,-0.3 3,-0.1 -0.882 10.2-169.8-143.2 111.9 4.7 -19.5 -12.7 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.672 38.0 -93.6 -87.8 153.2 4.5 -18.6 -9.0 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.311 47.9 -95.2 -58.8 149.3 2.1 -20.5 -6.7 37 43 A E > - 0 0 109 1,-0.1 3,-2.7 -24,-0.1 6,-0.2 -0.335 43.4-102.8 -57.7 149.8 -1.3 -19.0 -6.1 38 50 A F T 3 S+ 0 0 109 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.802 122.6 49.4 -50.5 -34.4 -1.3 -16.9 -3.0 39 51 A N T 3 S+ 0 0 153 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.430 98.5 86.3 -85.7 -2.7 -3.1 -19.6 -1.1 40 52 A E S X S- 0 0 110 -3,-2.7 3,-2.4 1,-0.1 0, 0.0 -0.551 98.0 -72.5 -99.2 162.9 -0.8 -22.4 -2.2 41 53 A K T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.332 124.2 11.7 -58.4 133.3 2.5 -23.4 -0.6 42 54 A Y T 3> S+ 0 0 34 -4,-0.1 4,-2.8 -3,-0.1 -1,-0.3 0.348 98.5 113.9 72.6 12.9 5.2 -20.8 -1.3 43 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.6 2,-0.2 -29,-0.3 0.963 76.6 42.6 -81.1 -54.8 2.4 -18.4 -2.5 44 56 A P H > S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.858 116.5 50.3 -60.1 -35.0 2.8 -15.9 0.3 45 57 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 111.1 47.0 -68.1 -46.9 6.6 -16.1 -0.0 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.918 113.5 49.8 -58.2 -44.9 6.5 -15.6 -3.8 47 59 A S H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 112.3 47.0 -58.8 -47.4 4.1 -12.6 -3.4 48 60 A A H X S+ 0 0 33 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.845 111.2 52.2 -65.3 -36.0 6.3 -11.0 -0.7 49 61 A F H X S+ 0 0 64 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.966 113.3 41.4 -65.7 -54.8 9.5 -11.5 -2.8 50 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.884 115.4 53.1 -59.7 -40.9 8.1 -9.8 -6.0 51 63 A K H X S+ 0 0 87 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.954 113.7 39.5 -61.3 -53.4 6.5 -7.1 -3.9 52 64 A K H X S+ 0 0 118 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.882 113.7 55.2 -69.5 -37.0 9.6 -6.1 -2.0 53 65 A M H < S+ 0 0 34 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.941 115.9 37.0 -60.5 -48.8 11.9 -6.5 -5.1 54 66 A V H >< S+ 0 0 6 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.918 119.8 48.3 -70.8 -44.0 9.7 -4.1 -7.2 55 67 A E H 3< S+ 0 0 69 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.919 111.5 47.4 -62.7 -46.5 8.9 -1.7 -4.3 56 68 A N T 3< S+ 0 0 127 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.2 0.554 90.2 108.3 -77.6 -5.9 12.4 -1.3 -2.9 57 69 A A < - 0 0 8 -3,-0.6 3,-0.2 -4,-0.5 -3,-0.0 -0.475 55.6-159.5 -73.3 138.4 13.9 -0.6 -6.4 58 70 A K S S+ 0 0 203 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.795 89.9 41.6 -78.6 -35.1 15.0 2.9 -7.3 59 71 A K S S- 0 0 113 -3,-0.0 24,-3.1 -54,-0.0 2,-0.5 -0.950 70.8-175.5-121.2 111.6 14.7 1.9 -11.0 60 72 A R E + E 0 82A 82 -2,-0.5 -54,-2.7 -54,-0.3 2,-0.3 -0.925 12.9 178.9-108.0 128.4 11.7 -0.1 -12.1 61 73 A E E -AE 5 81A 29 20,-2.3 20,-2.7 -2,-0.5 2,-0.4 -0.946 20.8-151.0-134.4 149.2 11.6 -1.2 -15.8 62 74 A V E -AE 4 80A 0 -58,-2.8 -58,-2.0 -2,-0.3 2,-0.4 -0.945 9.9-170.0-117.9 141.8 9.4 -3.2 -18.1 63 75 A E E - E 0 79A 12 16,-2.5 16,-3.0 -2,-0.4 -60,-0.2 -0.939 9.2-153.4-135.6 108.8 10.7 -5.1 -21.2 64 76 A F E - E 0 78A 11 -62,-0.4 -62,-0.3 -2,-0.4 14,-0.2 -0.442 16.6-130.7 -73.4 153.1 8.3 -6.6 -23.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.174 34.7 -90.3 -86.6-165.7 9.4 -9.6 -25.7 66 78 A K S S+ 0 0 168 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.688 103.7 41.7 -85.3 -18.8 9.1 -9.8 -29.5 67 79 A G S S+ 0 0 31 38,-0.4 39,-0.1 1,-0.3 -2,-0.0 0.292 107.0 6.1-100.9-137.4 5.6 -11.3 -29.8 68 80 A Q - 0 0 127 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.187 48.1-167.3 -50.9 130.2 2.3 -10.8 -28.0 69 81 A R S S+ 0 0 110 1,-0.2 8,-2.2 -3,-0.1 2,-0.3 0.523 75.8 33.9 -98.4 -10.0 2.4 -7.8 -25.6 70 82 A T B S-F 76 0A 70 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.983 77.2-133.4-139.6 148.0 -0.9 -8.8 -23.9 71 83 A D > - 0 0 24 4,-2.1 3,-2.4 -2,-0.3 -2,-0.0 -0.385 44.5 -85.0 -91.6 178.1 -2.6 -12.2 -23.2 72 84 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.618 128.4 59.6 -59.6 -11.8 -6.2 -13.2 -23.8 73 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.297 118.7-107.5-100.0 8.7 -7.1 -11.6 -20.5 74 86 A G S < S+ 0 0 50 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.407 73.7 142.0 79.5 -1.1 -5.8 -8.1 -21.4 75 87 A R - 0 0 69 -49,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.495 55.9-114.0 -73.4 136.7 -2.8 -8.5 -19.1 76 88 A G E -dF 28 70A 1 -49,-2.7 -47,-3.7 -6,-0.2 2,-0.5 -0.392 24.3-146.7 -60.4 144.8 0.6 -7.1 -20.2 77 89 A L E +d 29 0A 20 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.972 40.9 127.0-120.1 114.5 3.2 -9.7 -20.9 78 90 A A E -dE 30 64A 0 -49,-1.4 -47,-2.2 -2,-0.5 2,-0.4 -0.961 59.9-103.9-154.7 165.9 6.7 -8.6 -20.0 79 91 A Y E - E 0 63A 0 -16,-3.0 -16,-2.5 -2,-0.3 2,-0.4 -0.865 39.8-147.9 -93.2 139.5 10.0 -9.1 -18.2 80 92 A I E - E 0 62A 5 -2,-0.4 7,-3.2 -18,-0.2 8,-0.6 -0.941 10.3-161.4-114.9 132.9 10.2 -6.8 -15.1 81 93 A Y E -GE 86 61A 14 -20,-2.7 -20,-2.3 -2,-0.4 2,-0.5 -0.899 10.2-165.1-116.6 143.7 13.5 -5.3 -13.8 82 94 A A E > S-GE 85 60A 8 3,-2.8 3,-1.9 -2,-0.4 -22,-0.2 -0.969 83.8 -24.1-127.3 111.0 14.3 -3.9 -10.4 83 95 A D T 3 S- 0 0 88 -24,-3.1 -23,-0.1 -2,-0.5 -1,-0.1 0.909 129.2 -49.3 47.3 46.8 17.6 -1.9 -10.4 84 96 A G T 3 S+ 0 0 38 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.372 115.6 116.7 81.7 -5.1 18.7 -3.9 -13.4 85 97 A K E < -G 82 0A 155 -3,-1.9 -3,-2.8 4,-0.0 2,-0.4 -0.846 67.5-124.2 -99.9 128.5 17.9 -7.3 -11.8 86 98 A M E > -G 81 0A 8 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.578 11.6-156.7 -76.8 122.6 15.2 -9.3 -13.6 87 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.5 -2,-0.4 5,-0.2 0.917 94.1 55.5 -60.7 -45.1 12.3 -10.2 -11.3 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.926 111.8 44.2 -53.3 -48.4 11.3 -13.2 -13.5 89 101 A E H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 111.4 52.3 -64.6 -42.8 14.9 -14.6 -13.2 90 102 A A H X S+ 0 0 25 -4,-2.2 4,-1.7 2,-0.2 6,-0.2 0.864 107.4 52.1 -66.3 -37.2 15.2 -13.9 -9.4 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 6,-0.9 0.923 113.4 44.4 -61.9 -45.6 11.9 -15.8 -8.6 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.913 111.6 52.6 -65.1 -44.1 13.1 -18.8 -10.6 93 105 A R H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.4 48.2 -62.8 -33.3 16.6 -18.7 -9.1 94 106 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.385 116.2-112.7 -88.6 2.2 15.2 -18.7 -5.5 95 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-2.3 -4,-0.2 -3,-0.2 0.694 87.0 116.4 75.4 20.5 12.8 -21.6 -6.2 96 108 A L S - 0 0 155 -2,-1.0 3,-1.6 3,-0.3 -71,-0.0 -0.900 32.5-130.2-104.9 133.2 5.5 -19.7 -26.1 104 116 A K G > S+ 0 0 191 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.699 105.5 59.6 -58.3 -23.1 7.8 -19.6 -29.1 105 117 A G G 3 S+ 0 0 48 1,-0.2 -38,-0.4 2,-0.1 -39,-0.3 0.847 116.9 29.8 -67.9 -34.8 6.8 -16.0 -29.9 106 118 A N G < S+ 0 0 10 -3,-1.6 -3,-0.3 -40,-0.2 -1,-0.2 -0.522 84.3 111.1-126.4 61.7 7.9 -14.6 -26.5 107 119 A N X + 0 0 53 -3,-0.5 3,-1.9 -2,-0.2 4,-0.3 0.096 25.2 128.1-127.3 24.3 10.8 -16.8 -25.3 108 120 A T T 3 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.867 82.3 38.0 -52.0 -45.1 13.9 -14.5 -25.4 109 121 A H T 3> S+ 0 0 33 1,-0.2 4,-2.2 -3,-0.1 -1,-0.3 0.157 81.8 112.9 -97.6 21.1 15.0 -15.3 -21.9 110 122 A E H <> S+ 0 0 48 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.932 78.3 46.2 -57.1 -53.0 14.1 -19.0 -21.8 111 123 A Q H > S+ 0 0 172 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.891 111.4 53.5 -58.0 -43.3 17.7 -20.3 -21.6 112 124 A L H > S+ 0 0 61 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.9 42.7 -55.1 -48.2 18.6 -17.7 -18.8 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.859 111.3 54.2 -72.5 -35.5 15.6 -18.9 -16.7 114 126 A R H X S+ 0 0 111 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.876 107.4 52.2 -65.2 -36.0 16.2 -22.5 -17.3 115 127 A K H X S+ 0 0 162 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.949 111.4 46.5 -59.3 -49.7 19.8 -22.0 -16.1 116 128 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.877 111.4 52.0 -59.6 -40.1 18.4 -20.3 -12.9 117 129 A E H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.874 104.9 54.6 -66.6 -38.6 15.8 -23.2 -12.5 118 130 A A H X S+ 0 0 58 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.850 109.6 48.7 -64.4 -33.4 18.5 -25.9 -12.7 119 131 A Q H X S+ 0 0 76 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.929 110.8 48.8 -72.7 -44.2 20.4 -24.1 -9.9 120 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.3 0.885 113.1 49.3 -57.2 -41.7 17.3 -23.8 -7.7 121 133 A K H ><5S+ 0 0 84 -4,-2.5 3,-1.0 2,-0.2 -2,-0.2 0.922 109.7 50.1 -63.8 -48.3 16.6 -27.6 -8.3 122 134 A K H 3<5S+ 0 0 149 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.910 114.3 45.0 -53.9 -46.3 20.2 -28.6 -7.5 123 135 A E T 3<5S- 0 0 83 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.482 107.2-130.8 -80.3 -3.7 19.9 -26.6 -4.2 124 136 A K T < 5 - 0 0 132 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.868 41.6-180.0 55.7 41.9 16.5 -28.0 -3.5 125 137 A L > < - 0 0 47 -5,-2.4 3,-2.8 3,-0.1 -1,-0.2 -0.591 44.7 -56.5 -81.5 131.8 15.0 -24.5 -2.9 126 138 A N G > S+ 0 0 56 -2,-0.3 3,-2.4 1,-0.3 4,-0.4 -0.145 135.5 29.2 49.4-106.6 11.4 -23.9 -1.9 127 139 A I G > S+ 0 0 35 -32,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.805 127.8 48.3 -52.4 -31.4 9.3 -25.5 -4.7 128 140 A W G < S+ 0 0 52 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.258 86.7 88.4 -96.2 10.7 12.1 -28.0 -5.3 129 141 A S G < 0 0 61 -3,-2.4 -1,-0.2 -34,-0.1 -2,-0.1 0.689 360.0 360.0 -79.8 -20.4 12.5 -28.9 -1.6 130 142 A E < 0 0 190 -3,-0.5 -2,-0.1 -4,-0.4 -3,-0.1 0.766 360.0 360.0-112.8 360.0 9.8 -31.7 -1.8