==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-10 3NK9 . COMPND 2 MOLECULE: NUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 32 24.8 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 1.6 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 . 8 6.2 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 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 7 A L 0 0 69 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 160.7 2.4 -0.7 -8.1 2 8 A H - 0 0 151 62,-0.4 62,-0.6 63,-0.1 2,-0.4 -0.978 360.0-131.7-132.7 137.7 3.3 -4.1 -6.8 3 9 A K E -A 63 0A 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.657 28.3-168.5 -85.9 133.7 4.2 -5.5 -3.4 4 10 A E E -A 62 0A 44 58,-2.5 58,-2.7 -2,-0.4 2,-0.0 -0.914 24.8 -96.8-121.6 154.3 7.3 -7.7 -3.4 5 11 A P E +A 61 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.297 45.7 156.4 -69.1 150.3 8.7 -10.0 -0.8 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.966 27.1-139.2-157.0 163.1 11.5 -9.0 1.6 7 13 A T E - B 0 20A 84 13,-1.7 13,-3.3 -2,-0.3 2,-0.2 -0.969 28.6-104.6-125.6 150.3 12.6 -10.1 5.0 8 14 A L E + B 0 19A 52 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.477 36.0 168.2 -68.0 130.9 13.9 -8.0 7.9 9 15 A I E - 0 0 73 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.731 68.8 -23.8 -98.5 -53.5 17.6 -8.0 8.5 10 16 A K E - B 0 18A 143 8,-2.0 8,-3.2 0, 0.0 -1,-0.2 -0.950 54.1-119.7-161.5 135.3 17.8 -5.0 11.0 11 17 A A E + B 0 17A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.418 31.1 174.4 -62.0 142.6 16.0 -1.9 12.1 12 18 A I - 0 0 86 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.575 51.2 -43.7-115.0 -69.7 18.1 1.2 11.6 13 19 A D S S- 0 0 24 3,-1.9 -1,-0.5 33,-0.1 3,-0.5 -0.733 75.9 -59.6-150.3-161.7 16.1 4.4 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.856 130.1 19.2 -62.9 -33.3 12.7 6.0 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.257 116.3 62.3-126.1 13.5 12.9 6.0 8.0 16 22 A T E + C 0 29A 11 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.1 -0.996 51.8 170.3-134.6 149.3 15.6 3.5 7.0 17 23 A V E -BC 11 28A 3 11,-1.8 11,-3.1 -2,-0.4 2,-0.6 -0.991 32.6-120.7-151.4 148.7 15.7 -0.3 7.6 18 24 A K E +BC 10 27A 83 -8,-3.2 -9,-2.8 -2,-0.3 -8,-2.0 -0.853 40.1 172.8 -98.9 121.9 17.9 -3.1 6.3 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.9 -2,-0.6 2,-0.6 -0.915 37.3-119.9-124.8 153.1 16.0 -5.8 4.4 20 26 A M E +BC 7 25A 63 -13,-3.3 -13,-1.7 -2,-0.3 2,-0.4 -0.871 38.6 177.8 -86.5 118.2 16.8 -8.8 2.4 21 27 A Y E > -BC 6 24A 18 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.986 68.1 -11.3-132.6 127.0 15.3 -8.2 -1.1 22 28 A K T 3 S- 0 0 149 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.849 130.5 -57.3 45.1 37.6 15.7 -10.7 -4.0 23 29 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.522 117.6 105.5 84.3 3.8 18.2 -12.5 -1.7 24 30 A Q E < S-C 21 0A 126 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.3 -0.933 73.3-114.5-123.1 137.9 20.6 -9.5 -1.2 25 31 A P E +C 20 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.573 43.7 169.8 -69.4 134.0 21.0 -7.2 1.8 26 32 A M E -C 19 0A 45 -7,-2.9 -7,-2.6 -2,-0.3 2,-0.6 -1.000 35.5-128.4-142.9 144.9 19.9 -3.7 1.1 27 33 A T E -C 18 0A 47 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.822 30.2-154.3 -87.4 126.1 19.3 -0.5 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.1 -11,-1.8 -2,-0.6 2,-0.5 -0.827 7.0-156.5-100.2 134.2 15.8 0.9 2.3 29 35 A R E -Cd 16 77A 22 47,-3.6 49,-1.4 -2,-0.4 2,-0.3 -0.956 29.6-116.5-108.5 125.2 14.9 4.5 2.7 30 36 A L E > - d 0 78A 4 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.501 31.2-119.6 -65.5 125.3 11.2 5.1 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.3 71,-0.1 -0.343 84.5 7.0 -63.7 145.3 9.6 7.1 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.1 2,-0.3 0.443 107.9 92.1 69.7 12.7 7.9 10.4 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.889 50.8-159.9-133.2 165.1 8.7 10.8 4.5 34 40 A D E -H 98 0B 56 64,-1.7 64,-2.1 -2,-0.3 3,-0.1 -0.921 10.1-169.2-143.2 114.9 11.3 12.4 6.9 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.692 37.5 -95.6 -90.8 157.0 11.7 11.2 10.4 36 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.310 47.9-101.0 -62.2 149.0 13.9 13.2 12.9 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.386 36.8-104.5 -67.4 157.2 17.5 11.9 13.2 38 50 A F T 3 S+ 0 0 136 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.860 123.5 56.8 -52.0 -38.5 18.0 9.7 16.2 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.558 100.6 76.0 -70.2 -8.3 19.9 12.7 17.8 40 52 A E S X S- 0 0 97 -3,-2.3 3,-2.2 1,-0.1 2,-0.1 -0.516 98.7 -71.6-103.7 169.0 16.9 15.0 17.3 41 53 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.353 121.9 8.5 -62.2 135.8 13.5 15.5 19.1 42 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.5 -2,-0.1 -1,-0.3 0.437 98.7 113.6 67.4 -1.7 11.2 12.6 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 -5,-0.2 0.946 77.3 44.8 -64.0 -50.6 14.1 10.8 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 114.0 50.7 -60.0 -40.3 14.2 8.0 19.2 45 57 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 111.3 48.1 -64.9 -40.1 10.4 7.7 19.2 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.914 111.7 49.0 -61.7 -47.6 10.4 7.4 15.4 47 59 A S H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 112.9 49.2 -56.5 -45.9 13.2 4.8 15.4 48 60 A A H X S+ 0 0 41 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.885 109.5 51.4 -61.0 -38.5 11.3 2.9 18.1 49 61 A F H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 113.3 42.5 -69.2 -48.3 8.0 3.0 16.1 50 62 A T H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.905 113.4 53.7 -62.0 -42.4 9.5 1.7 12.9 51 63 A K H X S+ 0 0 94 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.934 111.0 45.9 -59.4 -47.4 11.6 -0.9 14.8 52 64 A K H X S+ 0 0 126 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.955 112.8 50.9 -64.0 -40.6 8.4 -2.3 16.5 53 65 A M H X S+ 0 0 29 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.911 117.5 36.5 -64.4 -45.7 6.5 -2.3 13.3 54 66 A V H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.837 116.9 50.9 -80.4 -33.6 9.0 -4.2 11.3 55 67 A E H < S+ 0 0 95 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.795 112.5 46.7 -73.5 -28.0 10.2 -6.6 14.0 56 68 A N H < S+ 0 0 109 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.609 90.4 107.7 -85.6 -17.0 6.7 -7.6 14.9 57 69 A A < - 0 0 19 -4,-0.6 3,-0.2 -3,-0.2 -49,-0.1 -0.418 53.3-162.1 -69.3 134.7 5.6 -8.2 11.3 58 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.783 86.3 31.4 -77.1 -29.7 5.1 -11.7 10.1 59 71 A K - 0 0 119 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.984 67.0-170.3-136.5 122.3 5.4 -10.5 6.5 60 72 A I E -AE 6 82A 11 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.913 11.5-177.1-107.3 138.7 7.4 -7.5 5.2 61 73 A E E -AE 5 81A 29 20,-2.0 20,-2.8 -2,-0.4 2,-0.4 -0.976 15.6-148.9-134.0 148.7 6.9 -6.3 1.6 62 74 A A E -AE 4 80A 0 -58,-2.7 -58,-2.5 -2,-0.3 2,-0.5 -0.958 9.1-166.2-118.7 134.7 8.6 -3.6 -0.4 63 75 A E E -AE 3 79A 12 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.964 9.3-152.5-121.7 116.8 6.7 -1.7 -3.1 64 76 A F - 0 0 10 -62,-0.6 -62,-0.4 -2,-0.5 14,-0.2 -0.496 11.8-133.0 -85.7 157.2 8.7 0.4 -5.6 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.167 36.0 -87.7 -93.0-166.9 7.2 3.4 -7.2 66 78 A K S S+ 0 0 167 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.572 103.6 43.9 -81.2 -14.6 7.4 4.2 -11.0 67 79 A G S S+ 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.179 105.0 1.0-107.6-142.1 10.8 6.0 -10.9 68 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.288 48.3-170.7 -51.0 129.9 14.2 5.8 -9.3 69 81 A R S S+ 0 0 118 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.569 73.2 40.7-100.3 -14.4 14.5 2.5 -7.2 70 82 A T B S-F 76 0A 71 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.996 77.1-140.7-130.0 137.5 17.8 3.4 -5.7 71 83 A D > - 0 0 23 4,-2.4 3,-2.0 -2,-0.4 -2,-0.1 -0.194 41.9 -85.7 -86.7-177.0 19.0 6.8 -4.4 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.585 129.7 54.0 -67.7 -12.1 22.5 8.3 -4.8 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.282 120.8-107.4 -98.2 3.4 23.7 6.4 -1.6 74 86 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.634 70.9 147.2 78.4 9.3 22.5 3.1 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.661 53.9-113.9 -75.5 135.5 19.5 2.9 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.4 -47,-3.6 -2,-0.3 2,-0.6 -0.457 24.9-144.2 -62.7 138.5 16.4 1.2 -2.0 77 89 A L E +d 29 0A 19 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.949 43.8 128.0-108.3 111.9 13.5 3.7 -2.4 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.961 63.1-104.4-153.3 167.0 10.2 2.0 -1.5 79 91 A Y E -E 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.897 43.7-149.9 -91.7 130.4 7.0 1.9 0.4 80 92 A I E -E 62 0A 2 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.869 9.8-161.1-110.1 131.6 7.4 -0.7 3.1 81 93 A Y E -EG 61 86A 16 -20,-2.8 -20,-2.0 -2,-0.4 2,-0.5 -0.935 9.1-161.4-114.7 141.9 4.5 -2.7 4.5 82 94 A A E > S-EG 60 85A 7 3,-2.9 3,-2.2 -2,-0.4 -22,-0.2 -0.971 84.1 -24.5-121.1 112.3 4.3 -4.7 7.7 83 95 A D T 3 S- 0 0 86 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.900 129.7 -49.1 47.9 44.1 1.5 -7.3 7.7 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.326 115.1 115.2 85.4 -7.0 -0.2 -5.1 5.0 85 97 A K E < -G 82 0A 117 -3,-2.2 -3,-2.9 4,-0.0 2,-0.5 -0.831 68.7-123.3 -97.9 129.6 0.1 -1.8 6.9 86 98 A M E > -G 81 0A 5 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.553 13.8-157.8 -73.4 122.8 2.3 0.8 5.2 87 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.6 -2,-0.5 5,-0.2 0.914 92.7 56.1 -62.4 -47.5 5.1 2.0 7.6 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.929 111.9 41.8 -50.9 -55.2 5.6 5.2 5.6 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 112.5 54.8 -61.8 -41.4 1.9 6.1 6.1 90 102 A A H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.905 106.6 50.1 -61.3 -42.7 1.8 5.0 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.7 0.958 114.1 45.2 -59.9 -45.9 4.8 7.2 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.919 110.3 53.9 -65.3 -43.3 3.1 10.2 9.2 93 105 A R H 3<5S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.6 49.3 -65.4 -28.2 -0.3 9.4 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.376 115.3-113.4 -89.2 4.9 1.3 9.3 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 -4,-0.2 -3,-0.2 0.811 87.7 114.9 69.8 25.9 3.2 12.6 13.8 96 108 A L S - 0 0 152 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.803 35.1 -95.5-102.3 140.5 10.0 13.9 -6.3 104 116 A K T 3 S+ 0 0 208 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.153 108.6 15.4 -48.9 135.5 8.2 13.8 -9.6 105 117 A G T 3 S+ 0 0 35 1,-0.1 -39,-0.3 -38,-0.1 -1,-0.2 0.312 115.6 69.7 76.5 -12.4 7.4 10.2 -10.8 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.396 76.3 92.6-115.3 56.5 8.1 8.6 -7.4 107 119 A N > + 0 0 57 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.103 32.8 130.2-138.9 34.8 5.0 10.0 -5.8 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.887 82.6 40.1 -57.1 -41.6 2.2 7.6 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.204 81.9 112.7 -96.8 19.2 1.2 7.6 -2.5 110 122 A E H <> S+ 0 0 36 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.928 78.5 44.0 -56.3 -51.7 1.6 11.4 -2.0 111 123 A Q H > S+ 0 0 130 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.896 111.6 54.7 -66.9 -38.0 -2.0 12.3 -1.5 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 112.5 43.8 -53.9 -50.4 -2.6 9.3 0.9 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.884 109.9 54.3 -69.8 -35.7 0.3 10.4 3.1 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.885 106.2 53.7 -64.8 -30.9 -0.7 14.1 3.0 115 127 A K H X S+ 0 0 148 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.946 108.9 49.1 -69.0 -36.1 -4.1 13.1 4.3 116 128 A A H X S+ 0 0 7 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.885 110.3 50.7 -68.7 -43.2 -2.5 11.2 7.1 117 129 A E H X S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.921 106.7 54.3 -60.3 -40.9 -0.3 14.3 8.0 118 130 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 110.4 46.9 -59.5 -41.9 -3.3 16.5 8.0 119 131 A Q H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 111.9 48.8 -71.4 -40.4 -4.9 14.2 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.882 113.1 49.3 -62.0 -40.4 -1.8 14.0 12.7 121 133 A K H ><5S+ 0 0 100 -4,-2.9 3,-1.1 -5,-0.2 -2,-0.2 0.897 107.9 52.3 -65.1 -39.3 -1.5 17.7 12.7 122 134 A K H 3<5S+ 0 0 141 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.865 111.9 48.0 -61.4 -36.4 -5.2 18.2 13.6 123 135 A E T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.500 108.3-129.1 -80.5 -6.4 -4.6 15.9 16.5 124 136 A K T < 5 + 0 0 140 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.875 43.8 179.2 56.9 39.5 -1.5 17.8 17.5 125 137 A L > < - 0 0 43 -5,-2.4 3,-2.7 -6,-0.1 2,-0.2 -0.606 44.6 -56.3 -81.9 133.7 0.5 14.5 17.6 126 138 A N G > S+ 0 0 52 -2,-0.4 3,-1.9 1,-0.3 -30,-0.2 -0.187 135.6 27.2 48.8-102.9 4.2 14.3 18.5 127 139 A I G 3 S+ 0 0 42 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.866 126.5 50.5 -58.3 -32.7 6.0 16.6 16.0 128 140 A W G < 0 0 53 -3,-2.7 -1,-0.3 -33,-0.1 -2,-0.2 0.270 360.0 360.0 -88.6 9.1 2.8 18.7 15.7 129 141 A S < 0 0 100 -3,-1.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.267 360.0 360.0 -88.0 360.0 2.5 19.0 19.4