==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-02 1IWY . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.JOTI,M.NAKASAKO,A.KIDERA,N.GO . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6897.0 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A K 0 0 72 0, 0.0 39,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 153.4 1.4 20.4 21.3 2 2 A V B -A 39 0A 100 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.939 360.0-142.2-102.8 113.7 4.2 19.6 18.8 3 3 A F - 0 0 13 35,-2.7 2,-0.3 -2,-0.6 3,-0.0 -0.575 9.0-123.7 -73.3 146.2 6.9 22.2 19.1 4 4 A E > - 0 0 100 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.638 34.4-108.8 -76.0 147.5 8.8 23.6 16.1 5 5 A R H > S+ 0 0 83 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.893 112.7 38.1 -44.4 -64.8 12.6 23.1 16.5 6 6 A a H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 113.5 55.6 -68.0 -33.9 13.7 26.7 17.1 7 7 A E H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 109.6 48.0 -60.0 -43.3 10.7 27.7 19.2 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.901 107.6 55.6 -60.7 -44.0 11.5 24.8 21.5 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.912 111.1 43.5 -57.6 -45.1 15.2 25.8 21.7 10 10 A R H X S+ 0 0 99 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.860 111.7 54.5 -67.9 -36.9 14.3 29.2 22.9 11 11 A T H X S+ 0 0 24 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.915 110.4 45.8 -62.2 -47.2 11.7 27.9 25.3 12 12 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 6,-0.3 0.860 110.7 53.8 -63.1 -38.2 14.3 25.6 26.9 13 13 A K H ><5S+ 0 0 86 -4,-1.8 3,-1.9 -5,-0.2 5,-0.2 0.936 106.7 50.8 -63.1 -45.1 16.9 28.3 27.1 14 14 A R H 3<5S+ 0 0 185 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 106.6 57.2 -60.1 -31.8 14.4 30.6 28.9 15 15 A L T 3<5S- 0 0 54 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.324 121.9-105.3 -85.7 6.6 13.8 27.7 31.4 16 16 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.714 80.4 128.9 86.8 22.8 17.5 27.5 32.3 17 17 A M > < + 0 0 0 -5,-2.2 3,-1.8 2,-0.1 2,-0.7 0.688 34.9 106.3 -88.3 -19.5 18.4 24.4 30.4 18 18 A D T 3 S- 0 0 79 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.463 104.5 -9.0 -66.7 106.4 21.4 25.7 28.5 19 19 A G T > S+ 0 0 40 4,-1.9 3,-2.2 -2,-0.7 -1,-0.3 0.573 86.5 169.4 85.0 5.9 24.4 24.1 30.3 20 20 A Y B X S-B 23 0B 56 -3,-1.8 3,-1.9 3,-0.7 -1,-0.3 -0.369 78.2 -15.1 -56.9 120.2 22.4 22.7 33.1 21 21 A R T 3 S- 0 0 157 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.836 133.8 -50.7 43.7 45.4 24.7 20.4 35.0 22 22 A G T < S+ 0 0 77 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.490 106.8 131.8 84.0 3.2 27.1 20.5 32.0 23 23 A I B < -B 20 0B 14 -3,-1.9 -4,-1.9 -6,-0.1 -3,-0.7 -0.828 49.8-138.5-101.6 113.9 24.4 19.6 29.4 24 24 A S >> - 0 0 44 -2,-0.6 4,-1.4 -5,-0.2 3,-0.6 -0.241 21.8-114.5 -67.6 153.7 24.3 21.8 26.3 25 25 A L H 3> S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.893 116.4 59.5 -51.8 -40.9 21.0 23.0 24.8 26 26 A A H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.861 102.0 52.9 -63.2 -34.2 21.7 20.9 21.7 27 27 A N H <> S+ 0 0 32 -3,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.879 109.6 48.3 -63.8 -39.2 21.9 17.7 23.8 28 28 A W H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.896 111.6 50.3 -70.2 -40.7 18.5 18.5 25.3 29 29 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 110.1 49.0 -58.1 -48.8 17.1 19.2 21.8 30 30 A b H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.901 111.5 51.2 -60.0 -40.7 18.4 15.9 20.5 31 31 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.964 111.8 45.4 -58.5 -55.7 16.9 14.1 23.4 32 32 A A H X>S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 6,-1.4 0.881 111.6 53.5 -55.6 -42.6 13.5 15.7 22.9 33 33 A K H X5S+ 0 0 72 -4,-2.6 4,-1.4 4,-0.2 -1,-0.2 0.944 116.5 36.8 -62.0 -44.5 13.6 15.0 19.1 34 34 A W H <5S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.781 118.2 49.5 -84.6 -24.7 14.3 11.3 19.6 35 35 A E H <5S- 0 0 43 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.910 138.8 -11.2 -72.7 -45.1 12.2 10.7 22.7 36 36 A S H ><5S- 0 0 19 -4,-2.1 3,-0.7 20,-0.3 -3,-0.2 0.361 83.5-110.6-138.1 -7.2 9.0 12.3 21.4 37 37 A G T 3<>> -C 51 0C 45 5,-2.8 4,-1.6 -2,-0.4 3,-1.1 -0.823 9.4-172.4-106.0 93.9 6.0 -0.5 28.7 47 47 A A T 345S+ 0 0 75 -2,-0.8 -1,-0.2 1,-0.3 5,-0.0 0.770 79.0 69.3 -53.6 -28.5 4.1 -3.7 29.0 48 48 A G T 345S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.890 120.0 9.2 -61.2 -45.2 7.3 -5.3 30.2 49 49 A D T <45S- 0 0 68 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.275 98.6-114.2-127.5 11.5 7.4 -3.5 33.6 50 50 A R T <5S+ 0 0 152 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.522 74.8 123.0 68.9 10.6 4.0 -1.8 33.8 51 51 A S E < -C 46 0C 0 -5,-0.6 -5,-2.8 19,-0.1 2,-0.3 -0.517 48.2-145.2 -93.5 170.9 5.5 1.7 33.7 52 52 A T E -C 45 0C 9 -7,-0.2 9,-2.1 -2,-0.2 2,-0.5 -0.964 8.4-133.7-136.1 148.0 4.7 4.5 31.2 53 53 A D E -CD 44 60C 26 -9,-2.7 -9,-1.9 -2,-0.3 2,-0.5 -0.917 27.3-154.5-105.1 132.5 6.8 7.2 29.6 54 54 A Y E > -CD 43 59C 19 5,-2.4 5,-2.1 -2,-0.5 3,-0.4 -0.903 32.2 -32.2-117.8 129.6 5.3 10.7 29.6 55 55 A G T > 5S- 0 0 0 -13,-3.0 3,-1.1 -2,-0.5 -16,-0.2 -0.180 97.1 -21.4 79.3-162.8 5.7 13.8 27.5 56 56 A I T 3 5S+ 0 0 3 28,-0.3 -18,-0.3 1,-0.3 -20,-0.3 0.809 139.9 34.1 -66.7 -32.7 8.4 15.6 25.5 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.1 -2,-0.2 0.339 105.9-125.5 -96.5 1.5 11.3 14.0 27.4 58 58 A Q T < 5 - 0 0 15 -3,-1.1 2,-0.3 26,-0.2 -3,-0.2 0.952 34.9-166.5 49.2 60.1 9.5 10.7 27.9 59 59 A I E < -D 54 0C 2 -5,-2.1 -5,-2.4 25,-0.1 2,-0.2 -0.602 16.7-120.1 -85.0 133.5 9.9 10.6 31.6 60 60 A N E >>> -D 53 0C 28 -2,-0.3 4,-1.9 -7,-0.2 5,-0.6 -0.534 3.7-141.8 -89.7 141.1 9.2 7.2 33.2 61 61 A S T 345S+ 0 0 0 -9,-2.1 6,-0.3 -2,-0.2 7,-0.1 0.529 91.0 71.1 -71.6 -14.8 6.6 6.6 35.9 62 62 A R T 345S+ 0 0 44 -10,-0.2 12,-2.6 11,-0.2 -1,-0.2 0.869 120.0 7.7 -76.1 -34.0 8.6 4.1 37.9 63 63 A Y T <45S+ 0 0 132 -3,-0.6 13,-2.4 10,-0.2 -2,-0.2 0.749 131.3 37.8-108.9 -40.8 11.1 6.7 39.3 64 64 A W T <5S+ 0 0 32 -4,-1.9 13,-2.1 11,-0.3 15,-0.4 0.796 106.9 18.5-106.0 -40.2 10.0 10.1 38.4 65 65 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.2 15,-0.2 -0.921 69.1-111.4-132.8 166.5 6.3 10.9 38.4 66 66 A N B +e 80 0D 82 13,-2.6 15,-2.8 -2,-0.3 16,-0.4 -0.881 37.2 155.5-103.3 124.4 3.2 9.5 39.9 67 67 A D - 0 0 38 -2,-0.5 -1,-0.1 -6,-0.3 13,-0.1 0.344 50.6-129.2-118.6 0.6 0.4 7.9 37.8 68 68 A G S S+ 0 0 67 -7,-0.1 -2,-0.1 2,-0.1 12,-0.0 0.241 93.4 75.9 82.6 -21.0 -1.0 5.7 40.5 69 69 A K + 0 0 144 2,-0.1 -1,-0.1 -19,-0.0 -3,-0.0 0.320 65.8 94.6-113.8 8.5 -0.8 2.6 38.3 70 70 A T S > S- 0 0 11 -9,-0.1 3,-1.7 -18,-0.0 -2,-0.1 -0.869 76.4-122.4-106.5 117.1 2.9 1.7 38.3 71 71 A P T 3 S- 0 0 71 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.187 86.5 -0.9 -68.1 147.4 3.8 -0.9 40.9 72 72 A G T 3 S+ 0 0 77 1,-0.2 -10,-0.0 0, 0.0 -2,-0.0 0.549 95.9 157.7 61.9 5.2 6.4 -0.1 43.5 73 73 A A < - 0 0 30 -3,-1.7 2,-0.3 1,-0.0 -10,-0.2 -0.195 28.6-157.8 -64.9 151.5 6.9 3.3 41.9 74 74 A V - 0 0 87 -12,-2.6 2,-0.3 -3,-0.1 -9,-0.2 -0.731 13.4-137.2-117.2 176.3 8.3 6.4 43.5 75 75 A N > + 0 0 58 -2,-0.3 3,-1.3 -11,-0.1 -11,-0.3 -0.687 28.1 166.6-139.1 69.3 7.8 10.0 42.5 76 76 A A T 3 S+ 0 0 30 -13,-2.4 -12,-0.2 1,-0.3 -11,-0.1 0.765 80.5 50.9 -67.7 -25.5 11.2 11.8 42.7 77 77 A d T 3 S- 0 0 8 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.512 104.3-134.3 -85.2 -5.7 10.0 14.9 40.8 78 78 A H < + 0 0 156 -3,-1.3 2,-0.3 -14,-0.2 -13,-0.1 0.901 63.0 117.3 49.8 56.3 7.0 15.0 43.1 79 79 A L S S- 0 0 36 -15,-0.4 -13,-2.6 16,-0.0 2,-0.2 -0.981 71.9-105.9-142.4 149.9 4.5 15.6 40.3 80 80 A S B > -e 66 0D 66 -2,-0.3 3,-1.9 -15,-0.2 4,-0.4 -0.544 35.2-122.0 -61.5 140.0 1.5 13.8 38.9 81 81 A c G > S+ 0 0 1 -15,-2.8 3,-1.9 1,-0.3 -14,-0.1 0.831 110.7 73.1 -56.9 -27.2 2.6 12.3 35.5 82 82 A S G > S+ 0 0 80 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.809 83.9 66.5 -54.3 -29.9 -0.3 14.4 34.1 83 83 A A G X S+ 0 0 16 -3,-1.9 3,-0.8 1,-0.3 9,-0.3 0.788 93.9 60.0 -66.1 -20.5 1.9 17.5 34.6 84 84 A L G < S+ 0 0 4 -3,-1.9 -28,-0.3 -4,-0.4 -1,-0.3 0.254 96.7 60.6 -90.9 9.5 4.2 16.0 32.0 85 85 A L G < S+ 0 0 56 -3,-1.9 -1,-0.2 -30,-0.1 -2,-0.2 0.232 80.3 113.9-117.9 13.4 1.5 16.1 29.3 86 86 A Q S < S- 0 0 83 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.465 72.4-126.8 -78.8 156.3 0.9 19.9 29.4 87 87 A D S S+ 0 0 99 -2,-0.1 2,-0.5 -46,-0.0 -1,-0.1 0.855 99.4 72.7 -64.0 -41.2 1.6 22.3 26.5 88 88 A N S S- 0 0 103 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.729 72.8-160.5 -78.0 125.0 3.7 24.4 28.9 89 89 A I > + 0 0 4 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.311 58.3 107.7 -94.1 11.2 6.8 22.4 29.6 90 90 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 84.1 44.2 -58.0 -47.3 8.0 24.1 32.8 91 91 A D H > S+ 0 0 60 -3,-0.4 4,-2.4 -8,-0.2 -1,-0.2 0.907 113.1 51.6 -63.8 -40.4 7.1 21.1 35.0 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.897 110.2 49.8 -61.9 -41.9 8.7 18.7 32.5 93 93 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 109.2 51.0 -62.4 -40.0 11.8 20.8 32.5 94 94 A A H X S+ 0 0 55 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.899 112.7 47.2 -66.8 -36.8 12.0 20.8 36.3 95 95 A d H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 109.5 52.3 -71.8 -41.3 11.6 17.0 36.3 96 96 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.893 107.7 52.7 -57.9 -42.0 14.3 16.6 33.6 97 97 A K H X S+ 0 0 43 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.881 109.1 50.6 -57.7 -37.8 16.7 18.7 35.7 98 98 A R H >X S+ 0 0 61 -4,-1.4 3,-0.9 2,-0.2 4,-0.5 0.937 105.9 54.3 -70.4 -44.2 15.9 16.4 38.6 99 99 A V H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.2 6,-0.3 0.948 109.1 49.5 -50.2 -49.8 16.7 13.3 36.5 100 100 A V H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.645 93.0 74.0 -77.6 -5.1 20.1 14.7 35.6 101 101 A R H << S+ 0 0 120 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.718 84.6 87.1 -72.8 -14.6 21.0 15.5 39.2 102 102 A D S X< S- 0 0 65 -3,-1.6 3,-1.8 -4,-0.5 6,-0.1 -0.345 101.6 -94.7 -83.9 164.6 21.5 11.8 39.7 103 103 A P T 3 S+ 0 0 140 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.809 119.6 53.0 -53.8 -40.6 24.8 10.1 38.9 104 104 A Q T > S- 0 0 110 1,-0.2 3,-1.7 -5,-0.1 -4,-0.1 0.668 84.3-172.3 -63.2 -27.2 24.1 9.0 35.3 105 105 A G G X - 0 0 16 -3,-1.8 3,-1.9 -6,-0.3 -1,-0.2 -0.310 69.3 -8.7 58.8-137.2 23.0 12.5 34.2 106 106 A I G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.1 -1,-0.3 0.717 121.7 83.0 -66.3 -17.0 21.6 12.6 30.8 107 107 A R G < + 0 0 110 -3,-1.7 -1,-0.3 1,-0.3 6,-0.2 0.645 66.6 86.3 -59.3 -15.8 22.7 9.0 30.3 108 108 A A G < S+ 0 0 37 -3,-1.9 2,-0.6 -6,-0.1 -1,-0.3 0.710 80.8 68.7 -57.8 -24.5 19.4 7.9 32.2 109 109 A W S X> S- 0 0 18 -3,-1.8 4,-1.1 1,-0.1 3,-0.6 -0.892 71.4-159.6 -97.1 116.6 17.7 8.1 28.8 110 110 A V H 3> S+ 0 0 75 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.822 90.4 65.2 -62.9 -30.2 19.0 5.3 26.4 111 111 A A H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.856 98.4 55.4 -61.7 -32.9 17.8 7.3 23.4 112 112 A W H <>>S+ 0 0 14 -3,-0.6 5,-2.5 -6,-0.2 4,-2.1 0.932 107.9 46.5 -65.6 -46.3 20.4 9.8 24.3 113 113 A R H <5S+ 0 0 102 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.889 119.2 42.9 -56.0 -43.5 23.1 7.2 24.2 114 114 A N H <5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.880 130.4 19.1 -67.7 -48.0 21.8 5.8 20.9 115 115 A R H <5S+ 0 0 119 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.492 133.9 24.4-110.2 -11.8 21.0 9.1 19.0 116 116 A b T ><5S+ 0 0 2 -4,-2.1 3,-1.6 -5,-0.3 -3,-0.2 0.689 85.0 99.5-128.6 -44.5 23.0 11.9 20.7 117 117 A Q T 3 + 0 0 18 -2,-0.9 3,-1.4 1,-0.2 4,-0.3 0.202 40.4 109.0-107.8 12.2 24.3 17.6 17.5 122 122 A R G >> + 0 0 166 1,-0.3 3,-1.5 2,-0.2 4,-0.7 0.798 65.4 69.5 -59.6 -32.2 24.9 21.2 16.3 123 123 A Q G 34 S+ 0 0 129 1,-0.3 3,-0.5 -3,-0.3 -1,-0.3 0.777 85.2 70.8 -58.9 -28.1 22.2 21.0 13.7 124 124 A Y G <4 S+ 0 0 22 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.760 110.9 27.2 -63.8 -27.2 19.5 20.9 16.4 125 125 A V T X4 S+ 0 0 37 -3,-1.5 3,-1.9 -4,-0.3 5,-0.4 0.324 85.4 135.5-116.5 2.9 20.1 24.6 17.4 126 126 A Q T 3< S+ 0 0 121 -4,-0.7 -120,-0.1 -3,-0.5 -3,-0.0 -0.335 81.3 0.4 -58.1 124.5 21.3 26.0 14.1 127 127 A G T 3 S+ 0 0 78 -2,-0.1 -1,-0.3 3,-0.1 -4,-0.0 0.496 97.1 115.1 81.8 2.7 19.7 29.3 13.4 128 128 A a S < S- 0 0 1 -3,-1.9 -2,-0.1 2,-0.0 -118,-0.1 0.511 82.3-115.2 -89.7 -6.6 17.5 29.5 16.5 129 129 A G 0 0 76 -4,-0.3 -3,-0.1 1,-0.2 -1,-0.0 0.776 360.0 360.0 76.8 31.6 19.0 32.5 18.3 130 130 A V 0 0 63 -5,-0.4 -1,-0.2 -117,-0.0 -3,-0.1 -0.521 360.0 360.0-124.8 360.0 20.3 30.5 21.2