==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 14-FEB-94 1ENA . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.LIBSON,A.GITTIS,E.E.LATTMAN . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 25.9 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 3.0 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 . 16 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 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 1 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 64 0, 0.0 2,-0.2 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0-164.5 0.8 36.9 21.5 2 8 A H - 0 0 158 68,-0.3 68,-0.6 2,-0.0 2,-0.3 -0.751 360.0-135.7-163.4 126.5 4.2 38.3 20.2 3 9 A K E -A 69 0A 94 -2,-0.2 66,-0.2 66,-0.2 64,-0.0 -0.693 26.4-167.6 -84.7 149.3 6.3 36.9 17.3 4 10 A E E -A 68 0A 48 64,-2.9 64,-2.4 -2,-0.3 2,-0.2 -0.970 23.2-109.5-136.6 145.3 10.1 36.7 18.0 5 11 A P E +A 67 0A 95 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.517 39.2 167.6 -60.6 144.2 13.2 36.0 15.9 6 12 A A - 0 0 9 60,-1.4 60,-0.4 -2,-0.2 2,-0.4 -0.940 26.6-129.2-150.2 158.0 15.0 32.7 16.4 7 13 A T E -B 20 0A 88 13,-2.8 13,-3.2 -2,-0.3 2,-0.1 -0.972 22.8-112.4-122.6 136.4 17.8 31.1 14.3 8 14 A L E +B 19 0A 63 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.371 41.2 157.6 -71.7 131.2 17.8 27.6 12.8 9 15 A I E - 0 0 71 9,-2.1 2,-0.3 1,-0.2 10,-0.2 0.647 68.6 -13.9-108.4 -58.4 20.3 25.2 14.1 10 16 A K E -B 18 0A 114 8,-2.3 8,-3.6 50,-0.0 2,-0.7 -0.953 46.4-140.2-156.1 126.4 18.8 21.8 13.2 11 17 A A E -B 17 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.843 22.0-179.1 -92.8 114.2 15.4 20.3 12.0 12 18 A I - 0 0 84 4,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.894 56.7 -48.0 -76.0 -57.9 15.2 17.1 14.0 13 19 A D S S- 0 0 11 3,-2.1 -1,-0.3 39,-0.1 3,-0.3 -0.878 77.3 -52.2-155.4-163.1 11.8 15.9 12.5 14 20 A G S S+ 0 0 0 35,-0.3 83,-0.1 22,-0.3 23,-0.1 0.894 133.0 22.0 -45.3 -57.6 8.2 16.9 11.6 15 21 A E S S+ 0 0 17 21,-0.2 15,-3.0 1,-0.1 2,-0.5 0.488 115.9 67.0 -97.3 -0.1 7.3 18.2 15.0 16 22 A T E + C 0 29A 13 -3,-0.3 -3,-2.1 13,-0.2 -4,-1.6 -0.949 49.9 168.5-129.6 124.3 10.7 19.1 16.5 17 23 A V E -BC 11 28A 0 11,-1.9 11,-2.4 -2,-0.5 2,-0.5 -0.975 26.9-135.0-135.4 138.6 13.1 21.7 15.4 18 24 A K E +BC 10 27A 80 -8,-3.6 -8,-2.3 -2,-0.4 -9,-2.1 -0.890 32.5 174.3 -93.0 132.8 16.3 23.0 17.3 19 25 A L E -BC 8 26A 0 7,-2.2 7,-2.3 -2,-0.5 2,-0.7 -0.938 38.3-124.5-139.9 147.6 16.7 26.8 17.3 20 26 A M E +BC 7 25A 65 -13,-3.2 -13,-2.8 -2,-0.3 2,-0.4 -0.857 42.1 168.7 -87.2 116.6 18.9 29.5 18.8 21 27 A Y E > + C 0 24A 32 3,-2.4 3,-2.2 -2,-0.7 -15,-0.1 -0.995 68.5 1.3-135.4 135.7 16.4 31.7 20.6 22 28 A K T 3 S- 0 0 126 -17,-0.4 -1,-0.1 -2,-0.4 -16,-0.1 0.806 131.5 -63.2 51.9 35.6 17.7 34.4 23.0 23 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.732 117.2 109.0 64.7 19.7 21.2 33.3 22.1 24 30 A Q E < S-C 21 0A 130 -3,-2.2 -3,-2.4 -5,-0.0 2,-0.2 -1.000 71.4-123.7-129.5 127.6 20.5 29.8 23.6 25 31 A P E +C 20 0A 55 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.537 43.2 176.2 -62.0 132.1 20.2 26.5 21.5 26 32 A M E -C 19 0A 45 -7,-2.3 -7,-2.2 -2,-0.2 2,-0.4 -0.979 36.4-120.9-143.2 148.3 16.9 25.0 22.4 27 33 A T E -C 18 0A 46 53,-0.4 55,-2.7 -2,-0.3 2,-0.4 -0.810 34.2-161.8 -86.6 130.2 14.7 22.1 21.4 28 34 A F E -Cd 17 82A 0 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.5 -0.948 7.1-151.4-117.5 139.7 11.3 23.5 20.2 29 35 A R E -Cd 16 83A 30 53,-2.9 55,-1.7 -2,-0.4 2,-1.1 -0.913 25.8-116.9-104.0 127.6 8.1 21.4 19.9 30 36 A L E > - d 0 84A 0 -15,-3.0 3,-1.7 -2,-0.5 55,-0.2 -0.460 39.1-125.9 -68.6 105.7 5.5 22.4 17.3 31 37 A L T 3 S+ 0 0 13 53,-2.5 55,-0.1 -2,-1.1 77,-0.1 -0.208 79.6 6.1 -55.2 136.1 2.6 23.3 19.4 32 38 A L T 3 S+ 0 0 8 75,-0.3 74,-1.7 74,-0.2 2,-0.5 0.455 104.2 103.4 73.1 5.9 -0.8 21.6 18.7 33 39 A V E < -H 105 0B 2 -3,-1.7 2,-0.6 72,-0.3 72,-0.2 -0.933 50.4-160.4-127.9 145.5 0.4 19.1 16.0 34 40 A D E -H 104 0B 36 70,-3.2 70,-2.2 -2,-0.5 -3,-0.0 -0.939 13.8-172.6-116.9 116.7 1.1 15.6 16.0 35 41 A T - 0 0 2 -2,-0.6 68,-0.1 68,-0.2 14,-0.1 -0.657 31.6 -99.9-100.6 155.4 3.4 14.2 13.1 36 42 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.139 48.5-104.1 -63.0 162.7 4.2 10.5 12.3 37 43 A E - 0 0 39 1,-0.1 9,-3.5 -23,-0.1 12,-0.3 -0.674 26.3-171.6-104.5 150.8 7.5 9.2 13.6 38 44 A T S S+ 0 0 40 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.583 89.0 26.6 -97.0 -35.5 10.8 8.3 12.0 39 45 A K + 0 0 169 6,-0.1 -1,-0.3 10,-0.0 6,-0.1 -0.977 59.4 149.6-143.5 117.6 12.1 6.8 15.2 40 46 A H B >> -I 44 0C 63 4,-0.7 4,-2.4 -2,-0.4 3,-0.5 -0.901 39.0-141.5-137.2 124.9 10.1 5.2 17.8 41 47 A P T 34 S+ 0 0 137 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.962 104.3 45.2 -66.9 -45.8 12.0 2.3 19.6 42 48 A K T 34 S+ 0 0 177 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.487 126.1 29.6 -91.8 72.4 8.9 0.2 19.9 43 49 A K T <4 S- 0 0 126 -2,-1.7 2,-0.7 -3,-0.5 -1,-0.1 0.072 79.5-140.6 178.8 -52.2 7.8 0.9 16.2 44 50 A G B < S-I 40 0C 42 -4,-2.4 -4,-0.7 2,-0.0 2,-0.3 -0.899 71.8 -20.2 103.2-111.8 10.6 1.5 13.5 45 51 A V - 0 0 92 -2,-0.7 2,-0.4 -6,-0.1 -7,-0.2 -0.974 67.2-134.4-128.8 146.6 9.3 4.3 11.2 46 52 A E > - 0 0 64 -9,-3.5 3,-2.2 -2,-0.3 2,-0.1 -0.871 35.5 -85.7-108.7 146.0 5.6 5.4 10.7 47 53 A K T 3 S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.3 -10,-0.0 -0.192 112.9 6.1 -49.7 117.2 3.8 6.0 7.5 48 54 A Y T 3> S+ 0 0 66 -12,-0.1 4,-1.5 -13,-0.1 -1,-0.3 0.155 98.3 108.1 85.2 -4.2 4.3 9.7 6.3 49 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 -12,-0.3 5,-0.3 0.935 76.3 52.2 -64.7 -50.1 6.8 10.4 9.1 50 56 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.950 116.5 39.8 -43.9 -52.8 9.8 10.5 6.6 51 57 A E H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.691 110.9 59.2 -83.0 -8.2 7.9 13.0 4.4 52 58 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.928 111.1 40.4 -80.6 -35.2 6.6 14.9 7.5 53 59 A S H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 113.4 55.8 -75.7 -41.0 10.2 15.6 8.6 54 60 A A H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.947 106.9 50.7 -49.4 -51.7 11.2 16.3 5.0 55 61 A F H X S+ 0 0 42 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.949 111.2 44.7 -53.7 -61.6 8.5 18.9 4.7 56 62 A T H X S+ 0 0 1 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.851 112.0 56.2 -55.9 -37.2 9.4 20.8 7.9 57 63 A K H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.938 109.2 43.7 -57.3 -57.2 13.1 20.6 6.9 58 64 A K H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 114.5 53.1 -56.1 -44.4 12.6 22.2 3.6 59 65 A M H < S+ 0 0 33 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.900 115.5 35.1 -62.8 -46.8 10.4 24.7 5.2 60 66 A V H < S+ 0 0 4 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.876 118.9 53.2 -78.8 -27.5 12.8 25.9 8.0 61 67 A E H < S+ 0 0 91 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.735 107.7 44.7 -74.9 -40.0 16.0 25.6 5.8 62 68 A N S < S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.1 0.420 92.5 113.4 -86.8 4.6 15.0 27.6 2.7 63 69 A A - 0 0 22 -4,-0.3 3,-0.2 -3,-0.3 -3,-0.0 -0.416 52.7-161.3 -75.4 143.7 13.6 30.4 4.9 64 70 A K S S+ 0 0 177 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.819 86.8 30.3 -92.1 -32.0 15.2 33.9 5.1 65 71 A K - 0 0 96 2,-0.0 24,-3.6 -58,-0.0 2,-0.4 -0.997 65.3-171.5-124.0 126.2 13.4 34.7 8.3 66 72 A I E + E 0 88A 19 -60,-0.4 -60,-1.4 -2,-0.4 2,-0.3 -0.957 12.6 178.6-108.3 136.9 12.4 32.1 11.0 67 73 A E E -AE 5 87A 50 20,-2.7 20,-3.6 -2,-0.4 2,-0.3 -0.993 13.2-156.6-133.6 137.1 10.2 33.5 13.8 68 74 A V E -AE 4 86A 0 -64,-2.4 -64,-2.9 -2,-0.3 2,-0.3 -0.763 6.5-159.9-106.2 162.6 8.8 31.5 16.8 69 75 A E E -AE 3 85A 14 16,-1.1 16,-1.8 -2,-0.3 -66,-0.2 -0.911 7.4-146.4-139.7 122.0 5.6 32.7 18.7 70 76 A F E - E 0 84A 10 -68,-0.6 -68,-0.3 -2,-0.3 14,-0.2 -0.459 17.5-124.4 -88.2 157.4 4.7 31.5 22.2 71 77 A D - 0 0 3 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.254 32.2 -95.8 -87.8 175.1 1.2 31.0 23.3 72 78 A K S S+ 0 0 156 39,-0.4 40,-0.1 -2,-0.1 3,-0.1 0.327 101.6 62.5 -70.3 5.8 -0.4 32.6 26.3 73 79 A G S S- 0 0 17 1,-0.3 10,-0.1 10,-0.1 2,-0.1 -0.152 105.9 -31.3-120.7-150.9 0.3 29.4 28.7 74 80 A Q - 0 0 129 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.2 -0.461 53.5-152.7 -72.6 145.8 3.5 27.7 30.0 75 81 A R S S+ 0 0 122 -3,-0.1 8,-2.6 -5,-0.1 2,-0.4 0.546 71.5 51.1-100.5 -3.5 6.2 28.0 27.5 76 82 A T B S-F 82 0A 72 6,-0.2 6,-0.2 -48,-0.1 2,-0.2 -0.938 72.6-143.4-128.8 141.1 8.3 24.9 28.2 77 83 A D > - 0 0 34 4,-1.9 3,-1.8 -2,-0.4 -2,-0.0 -0.489 40.7 -82.4 -89.1-172.8 7.0 21.4 28.5 78 84 A K T 3 S+ 0 0 182 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.746 128.7 52.0 -53.1 -38.6 8.3 18.6 30.9 79 85 A Y T 3 S- 0 0 172 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.258 121.5-107.2 -91.2 17.4 11.2 17.6 28.7 80 86 A G S < S+ 0 0 44 -3,-1.8 -53,-0.4 1,-0.2 2,-0.3 0.742 70.4 145.0 74.2 23.1 12.3 21.2 28.6 81 87 A R - 0 0 58 -55,-0.1 -4,-1.9 1,-0.1 -53,-0.3 -0.711 56.0-105.9 -98.4 140.2 11.3 21.9 25.0 82 88 A G E -dF 28 76A 0 -55,-2.7 -53,-2.9 -2,-0.3 2,-0.7 -0.371 27.4-138.9 -61.6 143.1 10.0 25.4 23.9 83 89 A L E +d 29 0A 25 -8,-2.6 -12,-0.7 -55,-0.2 2,-0.3 -0.928 49.1 125.8-107.0 105.3 6.2 25.3 23.3 84 90 A A E -dE 30 70A 0 -55,-1.7 -53,-2.5 -2,-0.7 2,-0.5 -0.919 62.9-109.5-156.6 171.0 5.5 27.4 20.1 85 91 A Y E - E 0 69A 0 -16,-1.8 -16,-1.1 -2,-0.3 2,-0.5 -0.938 40.4-145.1-103.5 127.5 4.1 28.1 16.6 86 92 A I E - E 0 68A 0 -2,-0.5 7,-2.3 -18,-0.2 8,-0.5 -0.822 10.1-161.5-101.2 129.3 7.1 28.4 14.2 87 93 A Y E -GE 92 67A 17 -20,-3.6 -20,-2.7 -2,-0.5 2,-0.6 -0.950 3.9-166.2-110.5 123.8 6.8 30.9 11.3 88 94 A A E > S-GE 91 66A 4 3,-2.9 3,-2.5 -2,-0.5 -22,-0.2 -0.982 89.3 -13.8-106.7 113.7 9.3 30.3 8.3 89 95 A D T 3 S- 0 0 64 -24,-3.6 -1,-0.2 -2,-0.6 -23,-0.1 0.846 131.3 -56.4 54.3 35.4 9.0 33.6 6.3 90 96 A G T 3 S+ 0 0 34 -25,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.399 113.0 119.5 83.4 -6.2 5.9 34.4 8.3 91 97 A K E < -G 88 0A 122 -3,-2.5 -3,-2.9 1,-0.0 2,-0.7 -0.829 69.2-119.5 -99.1 131.9 4.1 31.2 7.3 92 98 A M E >> -G 87 0A 15 -2,-0.5 4,-2.2 -5,-0.2 3,-0.6 -0.530 18.4-164.3 -70.6 112.6 3.2 29.0 10.1 93 99 A V H 3> S+ 0 0 0 -7,-2.3 4,-2.8 -2,-0.7 5,-0.3 0.906 91.3 60.4 -60.3 -42.4 4.8 25.6 9.7 94 100 A N H 3> S+ 0 0 0 -8,-0.5 4,-0.6 1,-0.3 -1,-0.3 0.852 112.8 39.7 -56.4 -37.6 2.4 24.1 12.4 95 101 A E H <> S+ 0 0 40 -3,-0.6 4,-3.0 2,-0.2 -1,-0.3 0.862 110.2 56.7 -78.0 -48.2 -0.4 25.1 10.0 96 102 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.902 105.8 53.0 -48.0 -45.9 1.4 24.2 6.7 97 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 -1,-0.2 0.762 112.8 43.2 -63.4 -36.5 1.8 20.5 8.0 98 104 A V H ><5S+ 0 0 0 -4,-0.6 3,-2.4 -5,-0.3 5,-0.3 0.929 110.2 55.0 -79.2 -48.5 -1.9 20.2 8.8 99 105 A R H 3<5S+ 0 0 74 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.878 109.7 50.3 -51.5 -34.2 -3.0 21.9 5.4 100 106 A Q T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -5,-0.1 33,-0.2 0.175 117.1-111.3 -89.0 12.8 -0.9 19.3 3.5 101 107 A G T < 5S+ 0 0 0 -3,-2.4 32,-2.3 2,-0.1 33,-0.2 0.856 89.1 113.3 65.0 25.8 -2.3 16.2 5.4 102 108 A L S -J 112 0D 162 -2,-0.9 3,-2.4 3,-0.6 -36,-0.0 -0.910 26.9 -93.1-112.2 110.3 -4.1 22.0 26.3 110 116 A K T 3 S+ 0 0 171 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.293 107.9 18.9 -57.2 134.8 -5.8 25.1 27.7 111 117 A P T > S+ 0 0 47 0, 0.0 2,-1.7 0, 0.0 3,-0.5 -0.902 116.3 69.1 -91.3 17.7 -4.5 28.0 27.7 112 118 A N B < S+J 109 0D 8 -3,-2.4 -3,-0.6 1,-0.2 -80,-0.1 -0.549 79.9 84.9 -92.2 73.3 -2.0 26.9 25.0 113 119 A N T > + 0 0 33 -2,-1.7 3,-2.6 -5,-0.1 4,-0.3 0.263 37.0 133.3-157.9 18.8 -4.5 26.6 22.3 114 120 A T T < S+ 0 0 72 -3,-0.5 3,-0.4 1,-0.3 4,-0.2 0.835 84.9 38.6 -38.8 -49.6 -5.0 30.1 20.8 115 121 A H T 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.117 80.4 115.7 -99.8 20.8 -4.8 28.8 17.2 116 122 A E H <> S+ 0 0 48 -3,-2.6 4,-2.3 1,-0.2 5,-0.2 0.889 77.4 46.8 -56.3 -47.2 -6.7 25.6 17.8 117 123 A Q H > S+ 0 0 112 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.892 107.3 56.6 -73.5 -27.4 -9.6 26.5 15.5 118 124 A H H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.965 115.9 37.3 -59.5 -46.5 -7.4 27.7 12.6 119 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.885 113.5 54.3 -75.9 -34.6 -5.6 24.4 12.5 120 126 A R H X S+ 0 0 103 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.834 109.1 52.4 -67.1 -29.9 -8.8 22.4 13.2 121 127 A K H X S+ 0 0 140 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.947 111.2 46.6 -65.0 -44.0 -10.1 24.3 10.2 122 128 A S H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.840 106.0 54.7 -68.3 -39.7 -7.1 23.2 8.0 123 129 A E H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.960 106.1 56.4 -55.4 -44.5 -7.1 19.5 9.0 124 130 A A H X S+ 0 0 31 -4,-1.2 4,-2.6 -5,-0.2 -2,-0.2 0.889 106.6 48.9 -53.4 -44.3 -10.8 19.5 7.8 125 131 A Q H X S+ 0 0 73 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.951 111.9 46.7 -65.7 -45.2 -9.7 20.9 4.4 126 132 A A H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 -1,-0.2 0.796 112.3 51.1 -62.6 -38.8 -6.9 18.3 3.9 127 133 A K H ><5S+ 0 0 99 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.963 109.5 50.5 -61.5 -51.9 -9.4 15.4 5.0 128 134 A K H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.756 109.9 55.1 -62.2 -17.3 -11.8 16.8 2.5 129 135 A E T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.066 103.2-126.6 -99.5 17.3 -8.9 16.6 0.0 130 136 A K T < 5 + 0 0 149 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.736 52.3 168.0 55.3 21.6 -7.9 12.9 0.4 131 137 A L > < - 0 0 53 -5,-1.9 3,-2.3 3,-0.1 2,-0.6 -0.650 48.5 -64.0 -90.0 124.5 -4.4 14.2 1.1 132 138 A N G > S+ 0 0 60 -2,-0.5 3,-1.3 1,-0.3 -30,-0.1 -0.152 128.8 24.7 48.6 -89.5 -1.6 12.0 2.4 133 139 A I G 3 S+ 0 0 46 -32,-2.3 -1,-0.3 -2,-0.6 -31,-0.1 0.822 128.0 50.3 -76.5 -16.4 -2.5 10.8 6.0 134 140 A W G < 0 0 68 -3,-2.3 -1,-0.3 -33,-0.2 -2,-0.2 0.384 360.0 360.0 -95.8 3.1 -6.1 11.2 5.1 135 141 A S < 0 0 99 -3,-1.3 -4,-0.1 -34,-0.2 -5,-0.1 -0.293 360.0 360.0 -72.7 360.0 -5.6 9.2 1.9