==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-DEC-12 4ID6 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.W.HANSEN,K.JANOWSKA,W.E.STITES,J.SAKON . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 26.5 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 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 . 3 2 0 2 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 6 A K 0 0 258 0, 0.0 2,-0.2 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 132.7 38.9 2.1 10.5 2 7 A L - 0 0 49 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.508 360.0-163.6 -81.9 152.4 36.6 -0.7 9.1 3 8 A H - 0 0 113 68,-0.3 68,-0.5 -2,-0.2 2,-0.4 -0.981 15.4-121.1-136.2 156.3 38.1 -3.8 7.5 4 9 A K E -A 70 0A 86 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.735 23.0-171.0 -96.4 136.1 36.8 -6.6 5.3 5 10 A E E -A 69 0A 25 64,-2.4 64,-2.9 -2,-0.4 2,-0.1 -0.929 28.3-103.3-121.0 156.8 36.8 -10.3 6.2 6 11 A P E +A 68 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.369 37.9 173.7 -77.9 152.9 36.0 -13.2 3.9 7 12 A A E -A 67 0A 11 60,-1.8 60,-0.6 15,-0.1 2,-0.4 -0.961 23.0-134.3-150.2 160.9 32.8 -15.1 4.1 8 13 A T E -B 21 0A 98 13,-2.0 13,-2.8 -2,-0.3 2,-0.1 -0.966 28.0-112.7-120.0 137.2 31.2 -17.9 2.0 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.465 34.3 169.0 -66.1 133.3 27.6 -17.8 0.8 10 15 A I E - 0 0 80 9,-3.1 2,-0.3 1,-0.3 10,-0.2 0.702 69.0 -26.2 -98.3 -56.5 25.2 -20.4 2.2 11 16 A K E -B 19 0A 118 8,-2.2 8,-3.5 0, 0.0 2,-0.6 -0.961 49.2-128.1-158.2 135.2 21.9 -19.0 1.0 12 17 A A E +B 18 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.798 27.8 178.9 -82.3 124.9 20.3 -15.7 -0.1 13 18 A I - 0 0 41 4,-1.8 2,-0.2 -2,-0.6 5,-0.2 0.854 58.4 -20.2 -93.1 -41.0 17.1 -15.4 1.9 14 19 A D S S- 0 0 6 3,-2.0 3,-0.2 39,-0.1 -1,-0.2 -0.820 81.1 -74.7-155.9-179.9 15.8 -12.1 0.8 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.2 83,-0.1 0.810 131.7 22.6 -58.8 -31.9 16.8 -8.8 -0.8 16 21 A D S S+ 0 0 2 20,-0.1 15,-2.6 1,-0.1 2,-0.4 0.370 113.5 70.2-126.4 16.6 18.5 -7.7 2.5 17 22 A T E + C 0 30A 11 -3,-0.2 -3,-2.0 13,-0.2 -4,-1.8 -0.990 51.5 174.1-136.8 135.6 19.2 -10.9 4.4 18 23 A I E -BC 12 29A 1 11,-2.4 11,-3.3 -2,-0.4 2,-0.6 -0.987 27.5-134.4-141.0 147.4 21.7 -13.6 3.7 19 24 A K E +BC 11 28A 88 -8,-3.5 -9,-3.1 -2,-0.4 -8,-2.2 -0.907 37.1 170.8-100.8 126.2 23.0 -16.7 5.3 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.9 -2,-0.6 2,-0.6 -0.859 39.1-118.2-130.4 158.1 26.8 -16.9 5.2 21 26 A M E +BC 8 26A 79 -13,-2.8 -13,-2.0 -2,-0.3 2,-0.4 -0.903 41.9 178.0 -94.6 123.7 29.6 -19.0 6.7 22 27 A Y E > - C 0 25A 26 3,-2.8 3,-1.9 -2,-0.6 -15,-0.1 -0.992 63.5 -13.1-138.0 127.2 31.6 -16.6 8.7 23 28 A K T 3 S- 0 0 152 -17,-0.4 -1,-0.2 -2,-0.4 -16,-0.1 0.936 131.6 -53.9 43.2 52.8 34.7 -17.6 10.8 24 29 A G T 3 S+ 0 0 62 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.396 119.5 97.6 68.1 3.3 33.6 -21.2 10.3 25 30 A Q E < S-C 22 0A 135 -3,-1.9 -3,-2.8 2,-0.0 2,-0.2 -0.940 77.1-111.7-119.9 142.4 29.9 -20.9 11.5 26 31 A P E +C 21 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.571 47.4 172.3 -59.3 130.7 26.6 -20.5 9.6 27 32 A M E -C 20 0A 50 -7,-2.9 -7,-2.7 -2,-0.2 2,-0.3 -0.989 32.1-127.0-144.0 142.2 25.4 -17.0 10.5 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.723 28.1-162.1 -82.5 133.1 22.4 -14.8 9.2 29 34 A F E -Cd 18 83A 2 -11,-3.3 -11,-2.4 -2,-0.3 2,-0.4 -0.952 9.7-156.4-118.3 142.2 23.5 -11.3 8.1 30 35 A R E -Cd 17 84A 34 53,-3.5 55,-1.5 -2,-0.4 2,-0.4 -0.976 30.1-113.6-110.7 136.6 21.2 -8.3 7.6 31 36 A L E > - d 0 85A 3 -15,-2.6 3,-1.0 -2,-0.4 55,-0.2 -0.474 35.1-119.4 -75.5 121.2 22.5 -5.6 5.2 32 37 A L T 3 S+ 0 0 13 53,-2.0 55,-0.1 -2,-0.4 -1,-0.1 -0.292 81.9 2.7 -56.8 135.8 23.3 -2.3 7.1 33 38 A L T 3 S+ 0 0 10 75,-0.2 74,-2.8 1,-0.1 2,-0.4 0.347 105.1 99.2 76.6 3.9 21.5 0.9 6.2 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.931 50.3-162.1-124.1 146.4 19.2 -0.4 3.6 35 40 A D E -H 105 0B 66 70,-2.8 70,-2.5 -2,-0.4 -3,-0.0 -0.985 13.4-171.4-120.0 124.0 15.5 -1.5 3.5 36 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.781 38.2 -93.3-104.9 149.4 14.4 -3.6 0.5 37 42 A P - 0 0 19 0, 0.0 -22,-0.3 0, 0.0 17,-0.2 -0.391 52.8-118.6 -59.4 139.9 10.8 -4.5 -0.2 38 43 A E - 0 0 50 1,-0.1 9,-2.7 -24,-0.1 12,-0.2 -0.410 32.7-176.8 -87.0 151.4 10.0 -7.8 1.5 39 44 A T S S+ 0 0 36 7,-0.2 2,-0.4 11,-0.2 -1,-0.1 0.408 95.3 49.0-107.5 -18.2 8.9 -11.2 0.1 40 45 A K S S+ 0 0 133 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.701 77.7 162.2-121.8 69.9 8.7 -12.5 3.7 41 46 A H B > -I 45 0C 44 4,-1.2 4,-0.7 -2,-0.4 5,-0.1 -0.836 41.8-136.1 -92.3 130.5 6.7 -9.8 5.4 42 47 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.959 102.9 16.5 -38.8 -66.2 5.0 -10.7 8.8 43 48 A K T 4 S+ 0 0 173 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.995 139.1 26.4 -76.7 -69.9 1.9 -9.0 7.7 44 49 A K T 4 S- 0 0 139 1,-0.2 2,-1.5 -4,-0.1 -1,-0.1 0.647 77.2-161.6 -78.2 -17.2 1.8 -8.4 3.9 45 50 A G B < S+I 41 0C 23 -4,-0.7 -4,-1.2 1,-0.0 2,-0.6 -0.598 70.5 32.3 72.2 -92.1 4.1 -11.2 2.8 46 51 A V S S- 0 0 90 -2,-1.5 -7,-0.2 -6,-0.2 2,-0.2 -0.875 71.5-176.5-110.8 111.2 5.1 -10.0 -0.8 47 52 A E > - 0 0 50 -9,-2.7 3,-1.9 -2,-0.6 2,-0.1 -0.537 40.4 -70.3-102.0 167.4 5.5 -6.3 -1.6 48 53 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.334 120.2 8.9 -63.4 129.2 6.2 -4.5 -4.8 49 54 A Y T 3> S+ 0 0 42 -2,-0.1 4,-2.7 -13,-0.1 5,-0.3 0.371 97.6 118.5 75.3 -0.7 9.8 -4.8 -6.2 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 -12,-0.2 -11,-0.2 0.954 75.7 41.0 -55.5 -59.3 10.2 -7.5 -3.4 51 56 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.869 116.2 51.6 -63.6 -34.0 11.0 -10.3 -5.8 52 57 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.885 110.7 45.8 -64.8 -45.2 13.2 -8.0 -7.9 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.921 115.1 50.5 -62.2 -43.2 15.3 -6.8 -5.0 54 59 A S H X S+ 0 0 24 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.904 111.4 45.2 -62.8 -39.0 15.5 -10.4 -3.9 55 60 A A H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.844 111.9 53.9 -75.5 -27.3 16.7 -11.7 -7.3 56 61 A F H X S+ 0 0 40 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.959 110.9 44.0 -74.4 -48.8 19.2 -8.8 -7.7 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.948 115.0 50.2 -59.1 -48.8 20.9 -9.6 -4.3 58 63 A K H X S+ 0 0 88 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.934 112.2 45.7 -54.8 -52.5 20.9 -13.4 -5.0 59 64 A K H X S+ 0 0 123 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.903 112.8 52.0 -59.8 -45.9 22.4 -13.0 -8.5 60 65 A M H < S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 117.5 36.0 -57.6 -43.5 25.0 -10.6 -7.2 61 66 A V H >< S+ 0 0 4 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.868 115.5 53.5 -83.4 -32.3 26.2 -12.9 -4.4 62 67 A E H 3< S+ 0 0 96 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.758 112.2 44.5 -68.9 -28.0 25.8 -16.2 -6.2 63 68 A N T 3< S+ 0 0 134 -4,-1.5 2,-0.2 -5,-0.2 -1,-0.2 0.280 89.4 109.2-104.7 9.1 28.0 -15.1 -9.2 64 69 A A < - 0 0 25 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.0 -0.585 57.4-151.8 -84.8 144.6 30.7 -13.5 -7.2 65 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.792 87.3 26.4 -78.3 -29.8 34.3 -15.0 -6.9 66 71 A K - 0 0 147 2,-0.0 24,-3.3 -58,-0.0 2,-0.4 -0.996 65.3-166.9-140.8 127.8 34.8 -13.4 -3.6 67 72 A L E -AE 7 89A 16 -60,-0.6 -60,-1.8 -2,-0.4 2,-0.4 -0.934 12.2-176.9-111.5 137.7 32.4 -12.3 -0.7 68 73 A E E -AE 6 88A 55 20,-2.3 20,-2.8 -2,-0.4 2,-0.4 -0.972 14.5-148.7-133.1 150.6 33.5 -10.1 2.1 69 74 A V E -AE 5 87A 0 -64,-2.9 -64,-2.4 -2,-0.4 2,-0.4 -0.934 8.3-166.9-118.5 139.5 31.7 -8.7 5.2 70 75 A E E -AE 4 86A 8 16,-2.3 16,-2.5 -2,-0.4 -66,-0.1 -0.964 9.5-151.2-131.5 114.3 32.6 -5.4 6.7 71 76 A F E - E 0 85A 16 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.466 15.7-130.3 -80.2 154.6 31.2 -4.6 10.2 72 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.110 33.4 -92.2 -89.3-165.1 30.6 -1.0 11.2 73 78 A K S S+ 0 0 131 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.590 102.2 57.4 -91.7 -9.7 31.9 0.7 14.4 74 79 A G S S- 0 0 17 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.093 107.4 -20.5 -95.4-150.9 28.8 -0.0 16.6 75 80 A Q - 0 0 127 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.298 51.1-156.5 -54.0 137.6 26.9 -3.2 17.6 76 81 A R S S+ 0 0 127 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.492 73.2 45.6 -98.0 -7.0 27.6 -6.1 15.2 77 82 A T B S-F 83 0A 78 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.986 73.1-138.9-133.3 143.0 24.4 -8.1 15.9 78 83 A D > - 0 0 33 4,-2.3 3,-1.8 -2,-0.3 -2,-0.1 -0.293 44.1 -86.4 -89.3-176.7 20.8 -7.0 16.1 79 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.646 127.4 58.4 -70.5 -9.0 18.3 -8.4 18.6 80 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.327 120.3-106.3 -96.6 8.8 17.4 -11.3 16.4 81 86 A G S < S+ 0 0 46 -3,-1.8 2,-0.4 1,-0.3 -53,-0.3 0.643 72.9 143.1 76.1 10.4 21.1 -12.5 16.3 82 87 A R - 0 0 63 -55,-0.1 -4,-2.3 -53,-0.1 -1,-0.3 -0.752 54.4-116.7 -85.3 138.5 21.7 -11.3 12.7 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.5 -2,-0.4 2,-0.6 -0.418 21.9-141.3 -61.7 139.8 25.1 -9.8 11.8 84 89 A L E +d 30 0A 28 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.947 44.9 137.2-110.7 107.1 24.9 -6.1 10.8 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.0 -2,-0.6 2,-0.4 -0.973 58.6-113.6-148.1 164.2 27.4 -5.6 7.9 86 91 A Y E - E 0 70A 0 -16,-2.5 -16,-2.3 -2,-0.3 2,-0.4 -0.811 39.8-150.4 -96.1 131.4 28.2 -4.1 4.5 87 92 A I E - E 0 69A 0 -2,-0.4 7,-2.5 -18,-0.2 8,-0.6 -0.934 8.3-161.0-113.1 137.0 28.6 -7.0 2.1 88 93 A Y E -GE 93 68A 18 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.5 -0.957 6.3-163.9-122.6 134.6 30.9 -6.8 -0.9 89 94 A A E > S-GE 92 67A 4 3,-2.3 3,-1.9 -2,-0.4 -22,-0.2 -0.986 84.1 -19.9-115.8 112.2 30.8 -9.1 -3.9 90 95 A D T 3 S- 0 0 68 -24,-3.3 -1,-0.1 -2,-0.5 -23,-0.1 0.902 129.5 -50.8 53.4 43.4 34.0 -8.8 -6.0 91 96 A G T 3 S+ 0 0 52 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.431 115.4 115.5 76.7 -3.9 34.8 -5.5 -4.3 92 97 A K E < -G 89 0A 128 -3,-1.9 -3,-2.3 4,-0.0 2,-0.5 -0.870 69.5-122.4-103.8 130.1 31.3 -4.0 -5.1 93 98 A M E > -G 88 0A 17 -2,-0.5 4,-2.6 -5,-0.2 -5,-0.3 -0.480 15.0-159.1 -70.7 121.0 29.1 -3.1 -2.1 94 99 A V H > S+ 0 0 0 -7,-2.5 4,-2.1 -2,-0.5 5,-0.2 0.884 91.2 58.4 -63.1 -36.6 25.8 -5.0 -2.4 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.934 111.9 41.4 -60.0 -46.7 24.1 -2.5 -0.0 96 101 A E H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.917 108.7 58.4 -68.0 -44.6 25.0 0.4 -2.4 97 102 A A H X S+ 0 0 14 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.909 107.2 48.8 -48.6 -42.7 24.2 -1.5 -5.6 98 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 6,-0.5 0.931 113.2 45.0 -66.0 -44.5 20.7 -2.0 -4.4 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.875 109.7 56.4 -68.0 -42.9 20.1 1.6 -3.5 100 105 A R H 3<5S+ 0 0 72 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.4 49.6 -60.6 -30.7 21.7 2.7 -6.8 101 106 A Q T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.334 116.6-111.3 -89.9 2.9 19.2 0.6 -8.7 102 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-2.5 2,-0.2 -3,-0.2 0.823 88.7 116.7 72.1 31.2 16.2 2.0 -6.9 103 108 A L S -J 113 0D 176 3,-0.6 3,-2.3 -2,-0.4 -36,-0.1 -0.912 33.5-108.9-115.7 100.7 21.5 4.3 14.2 111 116 A K T 3 S+ 0 0 170 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.337 100.9 34.1 -54.5 145.1 24.7 6.0 15.2 112 117 A P T 3 S+ 0 0 58 0, 0.0 2,-1.7 0, 0.0 -39,-0.6 -0.943 111.5 67.1 -85.4 10.3 27.4 4.8 15.5 113 118 A N B < S+J 110 0D 10 -3,-2.3 -3,-0.6 1,-0.2 -80,-0.1 -0.542 75.5 95.1 -89.4 72.5 26.6 2.3 12.6 114 119 A N > + 0 0 28 -2,-1.7 3,-1.8 -5,-0.1 4,-0.4 0.140 33.3 128.0-147.1 21.6 26.5 5.0 9.9 115 120 A T T 3 S+ 0 0 49 -3,-0.4 3,-0.4 1,-0.3 4,-0.2 0.894 84.7 33.4 -52.7 -50.7 29.9 5.0 8.4 116 121 A H T 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.179 86.5 111.6 -92.3 20.0 28.7 4.7 4.7 117 122 A E H <> S+ 0 0 23 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.892 76.3 46.7 -62.0 -44.9 25.5 6.7 5.2 118 123 A Q H > S+ 0 0 115 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.927 112.9 49.8 -64.1 -47.7 26.5 9.7 3.1 119 124 A H H > S+ 0 0 92 1,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.901 113.5 46.1 -57.9 -44.5 27.7 7.6 0.2 120 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.870 110.2 52.6 -64.0 -40.7 24.5 5.5 0.3 121 126 A R H X S+ 0 0 94 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.864 106.8 54.2 -66.3 -34.9 22.3 8.7 0.4 122 127 A K H X S+ 0 0 149 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.945 109.9 46.4 -63.3 -44.1 24.1 10.0 -2.6 123 128 A S H X S+ 0 0 13 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.875 111.5 52.1 -62.2 -41.6 23.3 6.9 -4.6 124 129 A E H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.896 106.6 52.5 -59.9 -44.4 19.7 7.0 -3.4 125 130 A A H X S+ 0 0 50 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.881 110.3 50.2 -58.5 -41.0 19.4 10.7 -4.6 126 131 A Q H X S+ 0 0 77 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.900 109.5 49.1 -62.9 -43.6 20.7 9.5 -8.1 127 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.4 0.872 111.9 49.4 -66.7 -34.6 18.2 6.6 -8.3 128 133 A K H ><5S+ 0 0 91 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.926 111.1 49.4 -64.2 -47.6 15.4 9.1 -7.4 129 134 A K H 3<5S+ 0 0 164 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.833 115.2 44.5 -57.4 -38.3 16.6 11.6 -10.1 130 135 A E T 3<5S- 0 0 83 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.509 107.4-133.6 -88.9 -6.0 16.7 8.7 -12.6 131 136 A K T < 5 + 0 0 147 -3,-0.7 2,-0.4 -4,-0.4 -3,-0.2 0.913 38.8 177.8 57.9 50.2 13.3 7.5 -11.3 132 137 A L > < - 0 0 47 -5,-2.2 3,-2.8 3,-0.1 -1,-0.2 -0.716 46.2 -54.5 -95.7 134.0 14.3 3.9 -11.1 133 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.201 136.6 28.9 54.7-109.1 12.1 1.0 -9.9 134 139 A I G 3 S+ 0 0 38 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.797 126.6 50.9 -43.7 -39.6 10.9 2.1 -6.4 135 140 A W G < 0 0 61 -3,-2.8 -1,-0.3 -33,-0.2 -2,-0.2 0.301 360.0 360.0 -90.9 10.0 11.2 5.7 -7.6 136 141 A S < 0 0 109 -3,-2.1 -4,-0.1 -34,-0.1 -5,-0.1 -0.568 360.0 360.0 -89.4 360.0 9.2 5.3 -10.8