==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-05 2ETJ . COMPND 2 MOLECULE: RIBONUCLEASE HII; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 211 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 8.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 3 0 0 1 0 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 197 0, 0.0 117,-0.2 0, 0.0 116,-0.1 0.000 360.0 360.0 360.0 -14.1 -1.0 0.8 22.9 2 2 A G > + 0 0 37 115,-0.8 3,-1.5 3,-0.0 4,-0.4 0.562 360.0 137.7 107.2 13.4 -4.4 1.7 21.4 3 3 A I G > + 0 0 48 114,-1.8 3,-1.8 1,-0.3 4,-0.5 0.830 65.8 69.2 -60.8 -29.3 -4.0 5.5 20.8 4 4 A D G > S+ 0 0 18 113,-0.3 3,-1.1 1,-0.3 4,-0.3 0.756 84.8 70.8 -57.9 -28.6 -5.8 5.1 17.4 5 5 A E G X S+ 0 0 122 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.771 90.9 58.0 -62.2 -28.4 -9.0 4.4 19.2 6 6 A L G < S+ 0 0 124 -3,-1.8 3,-0.3 -4,-0.4 4,-0.3 0.774 110.0 43.7 -70.4 -23.7 -9.2 8.0 20.4 7 7 A Y G <> S+ 0 0 40 -3,-1.1 4,-0.5 -4,-0.5 -1,-0.2 0.338 85.6 97.7-106.8 2.3 -9.2 9.2 16.7 8 8 A K T <4 S+ 0 0 97 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.695 93.0 25.1 -63.9 -23.0 -11.6 6.6 15.4 9 9 A K T 4 S+ 0 0 178 -3,-0.3 -1,-0.2 -4,-0.2 3,-0.1 0.709 117.7 39.1-126.5 -21.4 -14.7 8.8 15.5 10 10 A E T 4 S+ 0 0 157 -4,-0.3 -2,-0.1 1,-0.1 -3,-0.1 0.333 104.1 62.1-115.1 8.6 -14.3 12.6 15.4 11 11 A F S < S- 0 0 69 -4,-0.5 82,-0.2 1,-0.4 -1,-0.1 0.160 86.6-134.3-130.3 16.2 -11.5 13.1 12.8 12 12 A G S S+ 0 0 56 -3,-0.1 2,-0.4 81,-0.1 -1,-0.4 -0.220 73.9 2.2 58.5-150.6 -12.8 11.7 9.5 13 13 A I S S- 0 0 80 78,-0.2 80,-3.0 22,-0.0 81,-1.7 -0.573 77.2-158.9 -71.3 127.9 -10.3 9.5 7.6 14 14 A V E -a 94 0A 18 -2,-0.4 2,-0.3 78,-0.2 22,-0.3 -0.912 8.6-169.7-114.6 130.2 -7.2 9.1 9.6 15 15 A A E -a 95 0A 0 79,-2.1 81,-2.9 -2,-0.5 2,-0.4 -0.890 16.0-136.9-111.4 147.5 -3.8 8.1 8.2 16 16 A G E -aB 96 34A 0 18,-2.6 18,-2.5 -2,-0.3 2,-0.4 -0.848 20.8-161.9-102.1 143.0 -0.6 7.1 10.1 17 17 A V E +aB 97 33A 0 79,-2.4 81,-2.4 -2,-0.4 2,-0.3 -0.990 20.1 146.8-131.7 128.3 2.7 8.5 8.8 18 18 A D E - B 0 32A 5 14,-1.9 14,-2.3 -2,-0.4 2,-0.3 -0.939 25.2-139.7-148.7 175.3 6.3 7.4 9.4 19 19 A E E - B 0 31A 41 -2,-0.3 2,-0.4 12,-0.2 12,-0.3 -0.910 3.2-148.2-137.0 164.2 9.7 7.2 7.7 20 20 A A E S+ B 0 30A 9 10,-2.9 10,-2.5 -2,-0.3 -2,-0.0 -0.996 76.8 27.2-129.9 140.9 12.7 5.1 7.2 21 21 A G > + 0 0 1 -2,-0.4 3,-1.5 8,-0.2 -1,-0.1 0.457 65.6 129.1 95.8 6.6 16.3 6.4 6.6 22 22 A R T 3 S+ 0 0 118 1,-0.3 7,-0.1 8,-0.1 55,-0.1 0.901 80.6 45.9 -57.3 -38.6 16.3 9.7 8.4 23 23 A G T 3 S+ 0 0 59 2,-0.0 132,-0.4 50,-0.0 -1,-0.3 0.322 91.9 113.0 -89.4 5.9 19.4 8.7 10.3 24 24 A C < - 0 0 0 -3,-1.5 130,-0.3 130,-0.1 129,-0.1 -0.308 60.8-144.2 -79.9 160.7 21.4 7.3 7.3 25 25 A L S S+ 0 0 8 128,-2.9 148,-2.8 1,-0.1 2,-0.3 0.564 86.4 32.4 -94.3 -15.4 24.6 8.5 5.6 26 26 A A B S+E 172 0B 0 127,-0.7 146,-0.3 146,-0.3 -1,-0.1 -0.975 96.5 24.7-140.0 157.2 23.4 7.5 2.1 27 27 A G S S- 0 0 0 144,-2.8 -3,-0.0 -2,-0.3 105,-0.0 -0.074 82.6 -53.0 81.3 174.5 20.2 7.1 0.2 28 28 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.196 44.1-110.4 -76.5 172.1 16.8 8.8 0.4 29 29 A V E - C 0 63A 0 34,-2.1 34,-2.2 47,-0.1 2,-0.5 -0.918 35.6-157.1 -94.6 131.6 14.3 9.2 3.2 30 30 A V E -BC 20 62A 5 -10,-2.5 -10,-2.9 -2,-0.5 2,-0.3 -0.969 8.4-168.2-113.0 123.4 11.3 7.0 2.5 31 31 A A E -BC 19 61A 0 30,-3.2 30,-2.1 -2,-0.5 2,-0.4 -0.874 3.9-161.6-110.6 146.3 8.0 7.9 4.0 32 32 A A E -BC 18 60A 0 -14,-2.3 -14,-1.9 -2,-0.3 2,-0.4 -0.979 3.8-163.8-123.0 141.9 4.8 5.8 4.2 33 33 A A E -BC 17 59A 0 26,-2.6 26,-2.4 -2,-0.4 2,-0.4 -0.998 16.6-169.1-121.3 132.5 1.2 6.9 4.9 34 34 A V E -BC 16 58A 0 -18,-2.5 -18,-2.6 -2,-0.4 2,-0.5 -0.978 20.3-171.9-131.9 127.5 -1.3 4.2 5.8 35 35 A V E - C 0 57A 26 22,-2.5 22,-2.7 -2,-0.4 2,-0.5 -0.988 20.3-165.5-112.3 116.9 -5.1 4.1 6.1 36 36 A L E + C 0 56A 35 -2,-0.5 20,-0.2 -22,-0.3 -22,-0.1 -0.907 21.8 170.3-105.7 128.4 -6.1 0.7 7.6 37 37 A E + 0 0 172 18,-1.8 -1,-0.2 -2,-0.5 19,-0.1 0.861 63.7 60.0 -88.5 -59.1 -9.7 -0.6 7.6 38 38 A K S S- 0 0 99 17,-0.9 2,-0.2 1,-0.1 17,-0.1 -0.191 90.3 -97.8 -78.9 160.0 -9.3 -4.1 8.7 39 39 A E - 0 0 160 -3,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.502 36.2-175.6 -71.8 137.8 -7.8 -5.5 12.0 40 40 A I 0 0 23 -2,-0.2 8,-0.0 -4,-0.1 -4,-0.0 -0.983 360.0 360.0-135.8 129.3 -4.2 -6.6 12.0 41 41 A E 0 0 133 -2,-0.4 -2,-0.0 7,-0.0 0, 0.0 -0.704 360.0 360.0 -83.9 360.0 -2.6 -8.2 15.0 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 52 A A > 0 0 118 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 59.1 11.0 -11.4 8.9 44 53 A K H > + 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.715 360.0 64.6 -66.8 -23.2 7.8 -10.8 11.0 45 54 A R H > S+ 0 0 140 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.941 101.9 44.0 -59.0 -53.6 8.0 -7.4 9.1 46 55 A E H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.818 111.6 55.4 -67.0 -30.7 7.5 -9.0 5.8 47 56 A R H X S+ 0 0 63 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.946 113.2 41.3 -59.3 -48.3 4.7 -11.2 7.4 48 57 A L H X S+ 0 0 57 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.888 108.2 60.4 -71.6 -37.4 3.0 -7.9 8.5 49 58 A L H X S+ 0 0 29 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.894 103.7 52.1 -54.8 -39.5 3.7 -6.1 5.2 50 59 A D H X S+ 0 0 64 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.906 111.5 44.9 -68.8 -39.8 1.7 -8.7 3.4 51 60 A E H X S+ 0 0 75 -4,-1.3 4,-1.9 2,-0.2 3,-0.2 0.900 113.1 51.2 -69.4 -41.1 -1.3 -8.3 5.7 52 61 A I H X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.2 3,-0.2 0.950 106.4 54.8 -56.8 -49.5 -1.0 -4.5 5.5 53 62 A X H < S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.1 43.4 -52.4 -34.2 -0.9 -4.7 1.7 54 63 A E H < S+ 0 0 143 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.829 124.0 32.5 -82.0 -32.1 -4.2 -6.6 1.9 55 64 A K H < S+ 0 0 52 -4,-1.9 -18,-1.8 -3,-0.2 -17,-0.9 0.238 110.3 60.6-115.3 4.6 -6.0 -4.5 4.5 56 65 A A E < -C 36 0A 26 -4,-1.6 2,-0.5 -20,-0.2 -20,-0.2 -0.923 66.3-128.3-134.8 159.8 -4.7 -0.9 3.9 57 66 A A E -C 35 0A 24 -22,-2.7 -22,-2.5 -2,-0.3 2,-0.4 -0.924 41.6-168.5 -97.8 136.3 -4.5 1.9 1.4 58 67 A V E -C 34 0A 48 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.979 16.6-170.4-135.0 142.8 -0.8 2.9 1.3 59 68 A G E -C 33 0A 0 -26,-2.4 -26,-2.6 -2,-0.4 2,-0.4 -0.981 8.8-154.3-133.8 147.0 1.2 5.8 -0.2 60 69 A I E -C 32 0A 33 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.932 10.1-178.6-125.2 134.7 4.9 6.3 -0.5 61 70 A G E -C 31 0A 2 -30,-2.1 -30,-3.2 -2,-0.4 2,-0.4 -0.980 7.2-163.0-132.9 143.8 7.0 9.5 -0.7 62 71 A I E -C 30 0A 76 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.972 10.5-162.8-129.0 146.3 10.8 9.9 -1.2 63 72 A A E -C 29 0A 0 -34,-2.2 -34,-2.1 -2,-0.4 13,-0.1 -0.997 27.1-135.0-123.3 128.4 13.2 12.7 -0.6 64 73 A S > - 0 0 37 -2,-0.4 4,-2.4 -36,-0.2 5,-0.2 -0.303 24.1-105.4 -79.9 166.1 16.6 12.3 -2.3 65 74 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 123.5 57.1 -51.4 -37.5 20.2 12.8 -1.1 66 75 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 107.2 46.1 -60.0 -49.1 20.1 16.0 -3.2 67 76 A E H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.887 111.7 51.2 -65.9 -37.1 17.0 17.3 -1.4 68 77 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 3,-0.2 -1,-0.2 0.946 112.5 46.9 -59.0 -46.2 18.6 16.4 2.0 69 78 A D H < S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.4 38.1 -67.0 -36.7 21.7 18.3 1.0 70 79 A L H < S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 132.2 21.9 -82.3 -40.6 19.8 21.4 -0.3 71 80 A Y H < S- 0 0 121 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.592 108.1-109.8-107.7 -16.2 17.0 21.7 2.2 72 81 A N X - 0 0 71 -4,-2.1 4,-2.4 -5,-0.5 5,-0.2 0.033 33.5 -81.8 87.9 159.2 18.2 19.8 5.3 73 82 A I H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.818 126.0 52.3 -68.0 -33.3 17.2 16.5 6.8 74 83 A F H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 114.2 41.3 -67.7 -52.6 14.1 18.0 8.7 75 84 A N H > S+ 0 0 74 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.872 114.9 52.1 -62.4 -37.8 12.7 19.7 5.5 76 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.891 108.4 50.9 -65.6 -41.5 13.5 16.6 3.3 77 86 A T H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.951 111.8 47.4 -62.0 -44.6 11.7 14.2 5.8 78 87 A K H X S+ 0 0 76 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.890 109.7 53.7 -62.8 -42.5 8.6 16.5 5.7 79 88 A L H X S+ 0 0 50 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 110.5 47.1 -57.0 -46.5 8.9 16.6 1.9 80 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.902 112.3 50.0 -61.0 -47.4 8.8 12.8 1.9 81 90 A X H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.928 111.5 47.1 -60.7 -45.7 5.9 12.6 4.3 82 91 A N H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.873 110.6 52.9 -62.8 -39.8 3.8 15.1 2.3 83 92 A R H X S+ 0 0 92 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.874 106.6 53.6 -62.5 -36.4 4.6 13.2 -0.9 84 93 A A H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -51,-0.2 0.907 109.1 47.8 -63.7 -46.0 3.4 10.0 0.8 85 94 A L H < S+ 0 0 5 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.908 111.7 50.5 -57.4 -45.4 0.1 11.7 1.7 86 95 A E H < S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.823 108.4 54.6 -61.2 -32.4 -0.2 12.9 -2.0 87 96 A N H < S+ 0 0 98 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.731 85.2 100.7 -76.9 -23.4 0.5 9.3 -3.1 88 97 A L S < S- 0 0 2 -4,-1.1 -29,-0.1 -3,-0.5 -54,-0.1 -0.396 70.3-141.5 -62.8 138.6 -2.4 7.8 -1.1 89 98 A S S S+ 0 0 103 -31,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.690 90.0 56.1 -74.8 -22.1 -5.5 7.1 -3.2 90 99 A V S S- 0 0 46 -5,-0.1 -2,-0.1 -55,-0.0 -33,-0.0 -0.910 87.2-130.9-108.3 139.0 -7.7 8.2 -0.3 91 100 A K - 0 0 131 -2,-0.4 -78,-0.2 2,-0.0 -5,-0.1 -0.819 23.8-140.4 -92.3 116.6 -7.3 11.7 1.1 92 101 A P - 0 0 13 0, 0.0 -78,-0.2 0, 0.0 3,-0.1 -0.390 7.8-151.2 -72.6 154.2 -7.0 11.6 4.9 93 102 A S S S+ 0 0 64 -80,-3.0 2,-0.3 1,-0.3 -79,-0.2 0.648 82.6 16.0 -90.6 -21.2 -8.7 14.3 7.0 94 103 A F E -a 14 0A 27 -81,-1.7 -79,-2.1 12,-0.1 2,-0.4 -0.991 69.6-147.7-153.8 146.0 -6.2 13.9 9.9 95 104 A V E -ad 15 108A 2 12,-1.5 14,-2.1 -2,-0.3 2,-0.6 -0.962 7.9-152.3-123.8 140.7 -2.8 12.4 10.3 96 105 A L E -ad 16 109A 0 -81,-2.9 -79,-2.4 -2,-0.4 2,-0.4 -0.968 28.5-166.4-103.3 122.2 -1.0 10.7 13.2 97 106 A V E -ad 17 110A 2 12,-2.5 14,-2.9 -2,-0.6 2,-0.4 -0.925 21.2-123.1-118.1 131.2 2.7 11.3 12.6 98 107 A D E S+ d 0 111A 25 -81,-2.4 2,-0.3 -2,-0.4 14,-0.2 -0.613 78.8 22.1 -67.5 125.2 5.7 9.6 14.3 99 108 A G S S- 0 0 23 12,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.927 90.0 -61.5 128.7-141.8 8.0 12.3 15.9 100 109 A K S S+ 0 0 73 -2,-0.3 11,-0.1 11,-0.1 -2,-0.1 -0.971 94.4 0.8-155.1 126.1 7.7 15.9 17.2 101 110 A G S S+ 0 0 82 -2,-0.3 2,-0.5 1,-0.2 -1,-0.0 0.702 76.3 143.2 76.0 22.9 6.8 19.2 15.7 102 111 A I - 0 0 42 -5,-0.1 2,-0.6 -24,-0.0 -1,-0.2 -0.858 31.0-164.9-100.3 124.2 6.2 18.2 12.1 103 112 A E - 0 0 76 -2,-0.5 2,-0.2 4,-0.0 6,-0.0 -0.967 12.4-173.0-112.5 117.7 3.4 20.0 10.3 104 113 A L - 0 0 23 -2,-0.6 4,-0.1 2,-0.5 -25,-0.1 -0.447 42.8 -92.6-100.6 178.0 2.2 18.3 7.2 105 114 A S S S+ 0 0 89 -2,-0.2 -23,-0.0 2,-0.1 -2,-0.0 0.691 114.8 56.8 -67.2 -19.7 -0.2 19.4 4.4 106 115 A V S S- 0 0 23 1,-0.0 -2,-0.5 -12,-0.0 -12,-0.1 -0.922 100.7-106.5-110.9 137.3 -3.0 17.6 6.3 107 116 A P + 0 0 90 0, 0.0 -12,-1.5 0, 0.0 2,-0.3 -0.260 60.0 129.6 -63.8 156.9 -3.7 18.6 9.9 108 117 A G E -d 95 0A 37 -14,-0.3 2,-0.3 -4,-0.1 -12,-0.2 -0.934 50.3 -93.7-178.5-173.0 -2.6 16.2 12.5 109 118 A T E -d 96 0A 53 -14,-2.1 -12,-2.5 -2,-0.3 2,-0.4 -0.989 26.0-136.5-136.6 139.0 -0.8 15.4 15.7 110 119 A C E -d 97 0A 35 -2,-0.3 2,-0.5 -14,-0.2 -12,-0.2 -0.841 15.4-158.5 -94.9 138.6 2.7 14.1 16.2 111 120 A L E > -d 98 0A 18 -14,-2.9 -12,-2.7 -2,-0.4 3,-1.6 -0.973 16.7-131.4-119.3 119.5 3.4 11.4 18.7 112 121 A V T 3 S+ 0 0 89 -2,-0.5 -12,-0.1 1,-0.3 5,-0.1 -0.520 101.6 5.3 -61.3 135.7 6.8 10.9 20.2 113 122 A K T >> S+ 0 0 83 -2,-0.2 3,-1.9 1,-0.1 4,-0.8 0.882 87.8 159.9 47.8 42.4 7.6 7.1 19.8 114 123 A G H <> + 0 0 0 -3,-1.6 4,-2.6 1,-0.3 8,-0.3 0.752 60.3 70.9 -63.4 -24.3 4.3 7.0 17.9 115 124 A D H 34 S+ 0 0 64 1,-0.2 -1,-0.3 6,-0.2 -2,-0.1 0.571 104.5 40.8 -69.6 -16.0 5.4 3.7 16.3 116 125 A Q H <4 S+ 0 0 135 -3,-1.9 -1,-0.2 5,-0.0 -2,-0.2 0.539 119.0 45.3-102.2 -18.6 4.9 2.1 19.7 117 126 A K H < S+ 0 0 61 -4,-0.8 -114,-1.8 -3,-0.2 -115,-0.8 0.755 110.4 48.0 -94.7 -31.5 1.7 3.9 20.6 118 127 A S X - 0 0 4 -4,-2.6 4,-2.4 -115,-0.2 -1,-0.2 -0.959 58.2-151.3-123.3 137.4 -0.4 3.7 17.4 119 128 A K H > S+ 0 0 84 -2,-0.4 4,-2.3 2,-0.2 5,-0.1 0.830 101.1 54.4 -68.3 -37.5 -1.2 0.8 15.0 120 129 A L H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -104,-0.3 0.933 112.6 41.9 -62.5 -47.7 -1.5 3.1 12.0 121 130 A I H > S+ 0 0 0 -7,-0.3 4,-2.7 2,-0.2 5,-0.2 0.899 112.1 56.2 -69.4 -41.9 2.0 4.6 12.6 122 131 A G H X S+ 0 0 15 -4,-2.4 4,-1.7 -8,-0.3 -2,-0.2 0.927 108.5 47.8 -50.8 -44.3 3.3 1.1 13.4 123 132 A A H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 110.3 51.0 -66.6 -44.7 2.0 -0.1 10.0 124 133 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.891 108.1 53.9 -58.9 -39.6 3.6 3.0 8.2 125 134 A S H X S+ 0 0 31 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.881 109.0 48.9 -65.1 -37.3 7.0 2.2 9.9 126 135 A I H X S+ 0 0 28 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.931 112.5 46.2 -67.3 -45.2 6.8 -1.3 8.6 127 136 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.944 114.5 47.2 -63.0 -47.3 6.0 -0.3 5.0 128 137 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.939 114.7 46.6 -64.1 -45.6 8.7 2.4 4.9 129 138 A K H X S+ 0 0 49 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.934 113.9 46.2 -61.3 -50.3 11.4 0.1 6.4 130 139 A V H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.944 116.8 44.8 -61.5 -44.0 10.7 -2.9 4.1 131 140 A F H X S+ 0 0 86 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.931 114.0 47.9 -69.1 -42.2 10.5 -0.7 1.0 132 141 A R H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.910 108.8 55.8 -62.8 -40.3 13.7 1.3 1.8 133 142 A D H X S+ 0 0 26 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.882 106.3 50.3 -60.0 -39.7 15.5 -1.9 2.6 134 143 A R H X S+ 0 0 162 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.920 110.3 50.2 -63.2 -44.1 14.7 -3.2 -0.9 135 144 A L H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.918 107.8 52.4 -61.2 -42.0 16.0 -0.0 -2.5 136 145 A X H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.896 105.4 54.9 -65.7 -37.3 19.2 -0.2 -0.5 137 146 A S H X S+ 0 0 43 -4,-1.9 4,-1.5 1,-0.2 3,-0.4 0.913 105.3 54.4 -59.6 -35.5 19.7 -3.8 -1.8 138 147 A E H X S+ 0 0 73 -4,-1.8 4,-1.9 1,-0.2 3,-0.2 0.921 103.7 55.3 -59.4 -41.9 19.4 -2.3 -5.3 139 148 A F H X S+ 0 0 30 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.801 100.8 57.4 -66.2 -27.5 22.1 0.1 -4.5 140 149 A H H < S+ 0 0 52 -4,-1.2 -1,-0.2 -3,-0.4 6,-0.2 0.881 105.9 51.9 -69.2 -37.3 24.5 -2.8 -3.5 141 150 A R H < S+ 0 0 188 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.912 115.0 41.2 -60.1 -42.5 23.8 -4.1 -7.1 142 151 A X H < S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.783 128.6 29.7 -73.6 -28.7 24.8 -0.7 -8.5 143 152 A Y >< + 0 0 43 -4,-2.1 3,-2.5 3,-0.2 5,-0.3 -0.680 69.0 174.7-133.9 71.0 27.8 -0.1 -6.2 144 153 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.642 74.5 68.4 -65.1 -13.3 29.1 -3.6 -5.3 145 154 A Q T 3 S+ 0 0 98 1,-0.1 2,-0.4 2,-0.0 21,-0.1 0.570 96.5 68.4 -76.3 -11.4 32.1 -2.2 -3.3 146 155 A F S < S- 0 0 1 -3,-2.5 2,-1.7 -6,-0.2 3,-0.4 -0.953 77.3-142.2-116.7 128.4 29.4 -1.0 -0.8 147 156 A S >> + 0 0 18 -2,-0.4 4,-2.2 1,-0.2 3,-1.5 -0.339 45.1 146.7 -88.7 56.4 27.4 -3.3 1.4 148 157 A F H 3> + 0 0 0 -2,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.792 65.9 67.0 -62.3 -30.0 24.2 -1.3 1.3 149 158 A H H 34 S+ 0 0 64 -3,-0.4 -1,-0.3 -12,-0.2 -12,-0.2 0.793 113.0 31.0 -60.2 -25.6 22.3 -4.6 1.4 150 159 A K H <4 S+ 0 0 134 -3,-1.5 -2,-0.2 -14,-0.1 -1,-0.1 0.903 131.0 28.8 -98.6 -60.5 23.6 -5.0 5.0 151 160 A H H >< S- 0 0 14 -4,-2.2 3,-2.0 -15,-0.1 -3,-0.2 0.649 86.3-142.4 -82.1 -15.2 24.0 -1.6 6.5 152 161 A K T 3< - 0 0 30 -4,-1.6 -126,-0.2 -5,-0.4 -4,-0.1 0.706 69.9 -59.0 64.9 18.9 21.3 0.2 4.5 153 162 A G T 3 S+ 0 0 0 1,-0.3 -128,-2.9 -6,-0.2 -127,-0.7 0.423 98.8 142.3 84.6 -1.1 23.5 3.2 4.3 154 163 A Y < - 0 0 84 -3,-2.0 2,-2.2 -130,-0.3 -1,-0.3 -0.357 67.7-100.2 -62.2 155.2 23.7 3.7 8.0 155 164 A A + 0 0 51 -132,-0.4 -1,-0.1 4,-0.1 2,-0.1 -0.315 64.1 156.3 -82.0 58.8 27.1 4.9 9.4 156 165 A T > - 0 0 46 -2,-2.2 4,-2.6 1,-0.1 5,-0.2 -0.365 59.6-101.5 -75.2 164.8 28.3 1.5 10.5 157 166 A K H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 124.5 48.9 -49.3 -49.1 32.0 0.7 10.9 158 167 A E H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 109.2 50.6 -64.1 -44.5 32.0 -1.2 7.6 159 168 A H H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.955 112.0 47.9 -58.7 -49.2 30.2 1.6 5.7 160 169 A L H X S+ 0 0 39 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 110.6 51.8 -58.8 -42.0 32.7 4.1 7.0 161 170 A N H X S+ 0 0 70 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.933 110.2 50.5 -58.6 -44.9 35.6 1.7 6.0 162 171 A E H X S+ 0 0 31 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.874 110.3 47.8 -61.2 -43.4 34.0 1.5 2.5 163 172 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 3,-0.2 -1,-0.2 0.940 112.7 49.4 -63.5 -44.4 33.7 5.2 2.1 164 173 A R H < S+ 0 0 135 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.872 119.6 37.0 -63.1 -36.6 37.4 5.7 3.2 165 174 A K H < S+ 0 0 172 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.917 130.8 25.5 -83.9 -43.7 38.6 3.0 0.8 166 175 A N H < S- 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.685 105.6-116.1 -99.7 -24.3 36.4 3.6 -2.2 167 176 A G < - 0 0 23 -4,-2.4 -1,-0.2 -5,-0.5 -3,-0.1 -0.073 38.7 -57.2 101.9 155.6 35.4 7.2 -2.0 168 177 A V - 0 0 8 11,-0.1 11,-0.0 14,-0.1 6,-0.0 -0.313 49.8-146.0 -64.9 152.5 32.1 9.0 -1.6 169 178 A L > - 0 0 21 1,-0.0 3,-1.9 -26,-0.0 5,-0.1 -0.778 27.4-108.5-114.2 160.7 29.2 8.4 -4.0 170 179 A P T 3 S+ 0 0 17 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.721 118.0 62.4 -60.1 -22.7 26.5 10.8 -5.4 171 180 A I T 3 S+ 0 0 21 2,-0.1 -144,-2.8 -106,-0.1 2,-0.1 0.524 84.1 98.8 -81.4 -6.2 24.0 8.8 -3.2 172 181 A H B < S-E 26 0B 0 -3,-1.9 2,-1.3 -146,-0.3 -146,-0.3 -0.445 90.0-110.0 -71.8 152.9 25.9 9.9 -0.1 173 182 A R > - 0 0 0 -148,-2.8 3,-1.9 1,-0.2 6,-0.3 -0.742 36.6-167.5 -85.5 93.5 24.5 12.8 1.9 174 183 A L T 3 S+ 0 0 0 -2,-1.3 -1,-0.2 1,-0.3 9,-0.1 0.697 78.6 58.8 -64.4 -21.5 27.4 15.1 1.0 175 184 A S T 3 S+ 0 0 27 4,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.557 81.1 101.3 -84.5 -8.3 26.4 17.8 3.6 176 185 A F S X> S- 0 0 49 -3,-1.9 4,-3.0 -151,-0.1 3,-1.5 -0.657 81.5-122.5 -84.9 134.2 26.7 15.3 6.6 177 186 A E H 3> S+ 0 0 90 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.787 106.9 54.9 -48.1 -47.7 29.9 15.8 8.5 178 187 A P H 34 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.814 119.6 34.2 -59.2 -31.8 31.2 12.1 8.2 179 188 A V H X> S+ 0 0 0 -3,-1.5 4,-1.8 -6,-0.3 3,-1.7 0.883 115.3 55.6 -82.8 -50.8 30.9 12.3 4.4 180 189 A L H 3< S+ 0 0 8 -4,-3.0 -3,-0.2 -7,-0.3 -1,-0.1 0.858 103.5 56.2 -55.9 -36.9 31.8 16.0 4.0 181 190 A E T 3< S+ 0 0 115 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 0.650 111.1 43.2 -71.0 -17.9 35.1 15.5 5.8 182 191 A L T <4 S+ 0 0 65 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.667 93.0 102.3 -95.4 -24.7 36.2 12.7 3.3 183 192 A L < - 0 0 10 -4,-1.8 2,-0.3 -9,-0.1 3,-0.0 -0.339 57.6-153.0 -68.6 133.7 35.0 14.6 0.2 184 193 A T > - 0 0 82 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.742 25.1-121.9-100.6 158.8 37.6 16.3 -2.1 185 194 A D H > S+ 0 0 75 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.859 114.4 54.5 -59.3 -40.6 37.1 19.3 -4.3 186 195 A D H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 108.9 45.4 -63.5 -42.6 38.3 17.1 -7.2 187 196 A L H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 112.6 51.7 -69.3 -40.8 35.8 14.3 -6.6 188 197 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.942 110.1 48.8 -61.6 -45.3 33.0 16.9 -6.2 189 198 A R H X S+ 0 0 145 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.901 108.2 55.3 -59.1 -41.9 34.0 18.5 -9.5 190 199 A E H X S+ 0 0 82 -4,-2.3 4,-2.2 2,-0.2 6,-0.3 0.927 105.0 52.5 -53.1 -48.5 34.0 15.0 -11.1 191 200 A F H <>S+ 0 0 7 -4,-2.2 5,-2.5 1,-0.2 6,-0.9 0.921 113.9 43.0 -54.0 -48.4 30.4 14.4 -10.0 192 201 A F H ><5S+ 0 0 78 -4,-1.9 3,-1.6 4,-0.2 -2,-0.2 0.927 111.6 53.7 -66.0 -46.3 29.4 17.7 -11.6 193 202 A E H 3<5S+ 0 0 158 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.3 45.4 -53.0 -40.9 31.4 17.2 -14.8 194 203 A K T 3<5S- 0 0 118 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.462 114.5-115.5 -84.8 -4.2 29.8 13.8 -15.3 195 204 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.722 78.1 128.1 71.2 25.4 26.2 15.1 -14.6 196 205 A L S - 0 0 41 -2,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.319 28.6-114.2 -73.1 159.7 23.0 19.0 -10.1 199 208 A E H > S+ 0 0 103 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.895 117.6 54.8 -59.9 -40.4 24.6 22.4 -10.3 200 209 A N H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 111.4 43.8 -61.9 -43.4 22.6 23.5 -7.2 201 210 A R H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.925 112.5 53.0 -67.4 -42.6 23.9 20.6 -5.2 202 211 A F H X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.950 112.0 44.7 -56.1 -49.7 27.5 21.2 -6.6 203 212 A E H X S+ 0 0 92 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.892 112.0 52.8 -64.9 -42.9 27.4 24.8 -5.5 204 213 A R H X S+ 0 0 93 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.933 114.6 40.4 -57.1 -50.4 25.9 24.0 -2.1 205 214 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.870 110.3 57.5 -72.0 -37.3 28.6 21.4 -1.2 206 215 A L H X S+ 0 0 53 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.921 108.5 49.0 -58.7 -38.8 31.5 23.5 -2.7 207 216 A N H X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 110.5 49.0 -63.0 -47.4 30.4 26.3 -0.3 208 217 A L H < S+ 0 0 43 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.1 45.3 -60.1 -42.5 30.4 23.9 2.7 209 218 A L H < S+ 0 0 27 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.894 109.8 54.0 -67.8 -40.8 33.8 22.5 1.7 210 219 A G H < S+ 0 0 66 -4,-2.6 2,-1.4 1,-0.3 -2,-0.2 0.867 99.7 62.8 -62.6 -37.9 35.2 26.0 1.1 211 220 A A < 0 0 87 -4,-2.2 -1,-0.3 1,-0.2 -4,-0.1 -0.339 360.0 360.0 -81.5 51.3 34.2 27.1 4.6 212 221 A R 0 0 148 -2,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.224 360.0 360.0-152.9 360.0 36.5 24.4 6.1