==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-03 1NZU . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.NICOLA,R.A.NICHOLAS,C.DAVIES . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 0 0 0 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 1 1 1 2 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 . 4 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 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 3 A L >> 0 0 168 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -87.8 46.5 -0.0 14.8 2 4 A N H 3> + 0 0 113 1,-0.2 4,-0.7 2,-0.2 0, 0.0 0.735 360.0 49.7 -56.4 -42.0 45.3 3.5 13.9 3 5 A I H 34 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 3,-0.0 0.870 116.3 48.1 -68.8 -28.4 43.9 3.3 10.4 4 6 A K H <4 S+ 0 0 93 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.4 36.7 -73.9 -46.1 41.8 0.3 11.6 5 7 A T H < S+ 0 0 73 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.396 92.8 137.0 -88.1 2.1 40.4 1.8 14.8 6 8 A M < - 0 0 68 -4,-0.7 -3,-0.1 -5,-0.3 -4,-0.0 -0.044 51.1-141.2 -49.3 146.0 40.1 5.2 13.2 7 9 A I - 0 0 144 287,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.968 28.5-125.5-111.5 113.5 37.0 7.3 13.7 8 10 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 247,-0.0 -0.270 17.4-119.5 -65.0 139.7 36.2 9.0 10.3 9 11 A G - 0 0 65 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.539 30.6-119.0 -74.4 145.2 35.9 12.7 10.2 10 12 A V - 0 0 63 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.703 25.3-114.5 -91.3 135.7 32.4 13.9 9.0 11 13 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.229 37.0 -98.0 -60.9 154.0 32.1 16.0 5.9 12 14 A Q - 0 0 162 2,-0.0 2,-0.5 1,-0.0 236,-0.0 -0.603 37.2-157.8 -73.1 134.6 30.9 19.6 6.2 13 15 A I - 0 0 10 -2,-0.3 2,-2.5 2,-0.1 231,-0.0 -0.965 12.4-144.9-119.6 115.2 27.2 19.9 5.5 14 16 A D + 0 0 66 -2,-0.5 222,-2.1 226,-0.1 223,-0.5 -0.374 69.0 91.6 -77.2 63.5 25.9 23.3 4.4 15 17 A A E S-A 235 0A 0 -2,-2.5 220,-0.3 220,-0.3 219,-0.2 -0.967 82.2-114.6-150.7 163.8 22.6 22.9 6.2 16 18 A E E S+ 0 0 81 218,-1.1 2,-0.3 217,-0.6 218,-0.2 0.827 94.6 2.2 -72.7 -33.5 20.9 23.6 9.6 17 19 A S E +A 233 0A 0 216,-2.2 216,-2.7 17,-0.1 2,-0.3 -0.997 64.2 162.4-154.3 153.9 20.4 20.0 10.5 18 20 A Y E -AB 232 32A 18 14,-2.0 14,-2.2 -2,-0.3 2,-0.3 -0.990 11.7-168.7-163.2 164.3 21.1 16.5 9.3 19 21 A I E -AB 231 31A 1 212,-1.7 212,-2.0 -2,-0.3 2,-0.4 -0.969 8.4-156.6-159.4 148.7 21.3 12.9 10.3 20 22 A L E +AB 230 30A 0 10,-2.4 9,-3.0 -2,-0.3 10,-1.0 -0.975 23.7 169.3-132.9 115.7 22.6 9.7 8.6 21 23 A I E -AB 229 28A 6 208,-2.5 208,-2.7 -2,-0.4 2,-0.5 -0.867 35.9-114.6-128.6 159.8 21.2 6.4 9.8 22 24 A D E > -A 228 0A 0 5,-1.9 4,-2.0 -2,-0.3 206,-0.2 -0.833 21.3-142.0 -93.6 128.3 21.3 2.8 8.7 23 25 A Y T 4 S+ 0 0 43 204,-2.1 -1,-0.1 -2,-0.5 205,-0.1 0.876 95.9 37.1 -53.6 -45.7 17.8 1.5 7.7 24 26 A N T 4 S+ 0 0 51 203,-0.5 -1,-0.2 1,-0.1 266,-0.2 0.894 126.2 30.3 -80.4 -43.6 18.3 -2.0 9.2 25 27 A S T 4 S- 0 0 32 2,-0.1 -2,-0.2 264,-0.1 -1,-0.1 0.766 90.4-134.3 -91.3 -25.7 20.3 -1.5 12.4 26 28 A G < + 0 0 36 -4,-2.0 -3,-0.1 1,-0.3 265,-0.0 0.383 49.1 156.6 86.5 -1.8 19.0 2.0 13.2 27 29 A K - 0 0 68 -6,-0.1 -5,-1.9 1,-0.1 2,-0.7 -0.284 41.3-135.0 -62.3 136.9 22.6 3.1 13.9 28 30 A V E +B 21 0A 46 -7,-0.2 -7,-0.2 1,-0.1 3,-0.1 -0.859 23.5 179.0 -93.1 116.1 23.2 6.9 13.7 29 31 A L E - 0 0 16 -9,-3.0 2,-0.3 -2,-0.7 -8,-0.2 0.684 68.3 -3.8 -92.6 -20.9 26.5 7.4 11.7 30 32 A A E +B 20 0A 9 -10,-1.0 -10,-2.4 -20,-0.0 -1,-0.3 -0.924 65.7 170.1-168.7 146.6 26.5 11.2 11.8 31 33 A E E -B 19 0A 91 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.983 14.1-172.4-161.3 151.7 24.2 13.9 13.1 32 34 A Q E S-B 18 0A 72 -14,-2.2 -14,-2.0 -2,-0.3 123,-0.1 -0.890 83.7 -18.6-149.3 116.5 24.1 17.7 13.7 33 35 A N S > S+ 0 0 84 -2,-0.3 3,-1.6 -16,-0.2 122,-0.4 0.817 81.2 161.5 56.8 34.9 21.2 19.4 15.4 34 36 A A T 3 + 0 0 3 1,-0.3 122,-2.7 -16,-0.2 123,-0.5 0.642 69.2 43.6 -64.4 -20.3 19.1 16.2 14.7 35 37 A D T 3 S+ 0 0 72 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.349 81.0 122.1-106.6 3.8 16.5 17.0 17.3 36 38 A V < - 0 0 68 -3,-1.6 2,-0.4 1,-0.1 119,-0.3 -0.512 66.9-120.6 -68.3 128.8 16.0 20.7 16.6 37 39 A R + 0 0 131 -2,-0.3 2,-0.3 117,-0.1 117,-0.2 -0.587 45.5 159.5 -74.7 128.5 12.4 21.4 15.7 38 40 A R B -E 153 0B 54 115,-2.6 115,-2.3 -2,-0.4 175,-0.1 -0.948 49.1 -89.7-144.4 160.3 12.0 23.0 12.3 39 41 A D - 0 0 30 -2,-0.3 113,-0.2 113,-0.2 195,-0.2 -0.637 31.7-162.4 -72.9 117.6 9.3 23.5 9.6 40 42 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.512 17.8-162.7 -81.3 -2.2 9.5 20.4 7.4 41 43 A A G > S- 0 0 1 1,-0.3 3,-1.2 110,-0.2 4,-0.1 -0.349 72.2 -5.4 56.1-127.8 7.6 22.1 4.5 42 44 A S G > S+ 0 0 21 1,-0.2 3,-2.0 2,-0.2 -1,-0.3 0.557 115.8 88.8 -75.1 -5.4 6.3 19.5 2.1 43 45 A L G X> + 0 0 0 -3,-2.3 3,-2.4 1,-0.3 4,-0.5 0.791 69.6 78.6 -61.4 -25.0 8.2 16.8 4.0 44 46 A T H X> S+ 0 0 0 -3,-1.2 3,-1.3 1,-0.3 4,-1.3 0.846 77.8 73.4 -48.6 -34.2 5.0 16.6 6.0 45 47 A K H <> S+ 0 0 2 -3,-2.0 4,-3.0 99,-0.3 -1,-0.3 0.758 80.4 70.0 -54.5 -27.9 3.7 14.6 3.0 46 48 A M H <> S+ 0 0 0 -3,-2.4 4,-1.8 -4,-0.2 -1,-0.3 0.909 102.4 44.0 -58.7 -40.5 5.8 11.6 4.0 47 49 A M H S+ 0 0 15 -4,-3.0 5,-2.3 1,-0.2 6,-0.3 0.896 112.7 44.8 -54.2 -43.5 -4.9 2.2 4.8 56 58 A M H ><5S+ 0 0 37 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.867 110.1 53.5 -73.1 -34.5 -4.0 0.4 1.6 57 59 A K H 3<5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.4 53.0 -65.5 -34.1 -2.1 -2.3 3.5 58 60 A A T 3<5S- 0 0 73 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.460 118.0-118.6 -78.9 -1.8 -5.3 -2.8 5.6 59 61 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.681 70.8 136.5 75.4 21.2 -7.2 -3.2 2.3 60 62 A K S - 0 0 130 -2,-0.3 3,-1.5 -3,-0.1 30,-0.4 -0.839 34.0 -95.0-131.4 170.5 -6.7 0.2 -3.8 63 65 A E T 3 S+ 0 0 62 1,-0.3 30,-2.8 -2,-0.3 31,-0.3 0.745 120.3 52.6 -56.8 -26.0 -4.8 1.9 -6.6 64 66 A T T 3 S+ 0 0 105 28,-0.2 -1,-0.3 27,-0.2 -3,-0.0 0.673 82.2 108.7 -87.1 -18.1 -7.7 1.3 -9.1 65 67 A D S < S- 0 0 56 -3,-1.5 27,-2.1 26,-0.1 2,-0.4 -0.292 72.0-119.4 -61.3 143.4 -10.5 2.8 -7.0 66 68 A L E -F 91 0C 91 25,-0.2 2,-0.3 26,-0.1 -1,-0.1 -0.689 24.0-155.0 -89.8 135.3 -11.9 6.1 -8.2 67 69 A V E -F 90 0C 2 23,-2.6 23,-2.3 -2,-0.4 2,-0.5 -0.858 10.0-133.8-111.7 145.8 -11.7 9.2 -6.0 68 70 A T E -F 89 0C 85 -2,-0.3 2,-0.7 21,-0.2 21,-0.2 -0.861 17.8-130.9-101.2 123.1 -13.9 12.2 -6.2 69 71 A I - 0 0 2 19,-2.3 18,-2.5 -2,-0.5 19,-0.2 -0.598 30.5-150.5 -73.7 113.3 -12.3 15.7 -6.1 70 72 A G >> - 0 0 23 -2,-0.7 4,-1.6 16,-0.2 3,-1.0 -0.376 33.0-107.6 -85.8 160.8 -14.2 17.7 -3.5 71 73 A N H 3> S+ 0 0 135 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.735 120.7 74.4 -52.9 -15.8 -14.8 21.4 -3.2 72 74 A D H 34 S+ 0 0 53 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.933 94.1 38.3 -61.2 -58.0 -12.2 20.5 -0.6 73 75 A A H X4 S+ 0 0 2 -3,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.864 117.9 52.2 -66.9 -37.9 -9.1 20.0 -2.7 74 76 A W H 3< S+ 0 0 113 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 97.4 65.0 -64.4 -44.1 -10.0 22.8 -5.0 75 77 A A T 3< 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.578 360.0 360.0 -60.7 -10.8 -10.5 25.4 -2.2 76 78 A T < 0 0 85 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.671 360.0 360.0-108.0 360.0 -6.8 25.2 -1.2 77 ! 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 78 85 A G 0 0 66 0, 0.0 7,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -83.2 -8.0 27.2 -13.2 79 86 A S + 0 0 144 2,-0.0 2,-0.4 0, 0.0 0, 0.0 0.642 360.0 75.8 -65.7 -14.0 -5.6 28.7 -15.8 80 87 A S > - 0 0 45 1,-0.1 3,-0.7 2,-0.0 0, 0.0 -0.821 65.9-155.0-116.4 140.3 -3.7 25.6 -15.1 81 88 A L T 3 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 105,-0.1 0.696 89.3 75.0 -79.4 -20.3 -4.0 21.9 -16.1 82 89 A M T 3 S+ 0 0 42 2,-0.1 2,-0.4 103,-0.1 -1,-0.2 0.701 79.4 89.9 -64.6 -21.5 -2.1 20.7 -13.0 83 90 A F S < S- 0 0 86 -3,-0.7 2,-0.3 1,-0.1 -9,-0.1 -0.648 78.0-125.1 -92.4 133.5 -5.0 21.3 -10.7 84 91 A L - 0 0 0 -2,-0.4 -2,-0.1 -11,-0.1 -1,-0.1 -0.532 27.7-143.6 -67.7 126.9 -7.7 18.8 -9.9 85 92 A K > - 0 0 64 -2,-0.3 3,-1.7 1,-0.1 -16,-0.3 -0.753 26.3 -96.0 -96.5 144.0 -11.1 20.3 -10.6 86 93 A P T 3 S+ 0 0 53 0, 0.0 -16,-0.2 0, 0.0 3,-0.1 -0.188 106.7 26.3 -56.2 146.1 -14.1 19.5 -8.4 87 94 A G T 3 S+ 0 0 61 -18,-2.5 2,-0.1 1,-0.3 -17,-0.1 0.247 89.9 121.1 86.0 -14.9 -16.3 16.7 -9.6 88 95 A M < - 0 0 63 -3,-1.7 -19,-2.3 -19,-0.2 2,-0.5 -0.467 58.3-132.9 -80.1 157.1 -13.6 14.8 -11.6 89 96 A Q E -F 68 0C 119 -21,-0.2 -21,-0.2 -2,-0.1 -23,-0.0 -0.959 25.1-179.6-114.5 125.0 -12.8 11.3 -10.7 90 97 A V E -F 67 0C 3 -23,-2.3 -23,-2.6 -2,-0.5 2,-0.0 -0.980 29.1-115.4-127.1 133.6 -9.2 10.3 -10.4 91 98 A P E >> -F 66 0C 30 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.342 24.0-121.3 -64.1 147.0 -7.8 6.9 -9.5 92 99 A V H 3> S+ 0 0 0 -27,-2.1 4,-2.8 -30,-0.4 5,-0.4 0.912 110.7 68.9 -54.1 -42.6 -5.9 6.5 -6.2 93 100 A S H 3> S+ 0 0 36 -30,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.828 105.3 39.2 -45.3 -42.5 -2.9 5.4 -8.3 94 101 A Q H <4 S+ 0 0 40 -3,-0.9 3,-0.3 -31,-0.3 4,-0.3 0.918 114.7 52.0 -75.8 -47.9 -2.5 8.9 -9.8 95 102 A L H >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.889 106.1 51.6 -58.1 -46.3 -3.3 10.8 -6.6 96 103 A I H >< S+ 0 0 6 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.820 102.6 61.0 -65.8 -27.7 -0.8 9.1 -4.3 97 104 A R G >< S+ 0 0 37 -4,-0.7 3,-1.8 -5,-0.4 -1,-0.3 0.566 80.0 87.9 -73.5 -6.4 1.9 9.7 -6.9 98 105 A G G X + 0 0 2 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.3 0.711 69.8 77.4 -61.5 -18.6 1.2 13.4 -6.3 99 106 A I G < S+ 0 0 9 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.798 85.6 60.4 -61.1 -26.0 3.7 13.1 -3.5 100 107 A N G < S+ 0 0 5 -3,-1.8 91,-2.1 -4,-0.1 -1,-0.3 0.440 93.6 90.6 -83.2 -0.2 6.4 13.2 -6.2 101 108 A L S < S- 0 0 3 -3,-1.8 89,-0.1 2,-0.2 -3,-0.0 -0.472 81.0-124.2 -98.3 166.0 5.4 16.7 -7.3 102 109 A Q S S+ 0 0 119 -2,-0.1 107,-0.1 106,-0.1 -1,-0.1 0.884 106.0 5.0 -71.3 -42.3 6.3 20.3 -6.4 103 110 A S + 0 0 49 1,-0.1 -2,-0.2 -21,-0.0 0, 0.0 0.432 68.5 135.2-104.6-111.3 2.6 21.0 -5.7 104 111 A G > + 0 0 4 -22,-0.1 4,-1.1 -4,-0.1 -6,-0.1 0.794 31.0 139.9 66.1 27.5 -0.1 18.3 -5.8 105 112 A N H > + 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.811 65.3 58.6 -73.0 -30.7 -1.5 19.6 -2.6 106 113 A D H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 101.3 55.8 -64.0 -39.7 -5.0 19.1 -3.8 107 114 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 103.7 54.0 -61.1 -38.2 -4.3 15.4 -4.2 108 115 A C H X S+ 0 0 13 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.930 111.1 46.4 -61.5 -42.7 -3.2 15.2 -0.6 109 116 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.937 111.6 49.6 -65.4 -46.0 -6.6 16.7 0.4 110 117 A A H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.864 113.7 46.8 -61.1 -38.5 -8.6 14.5 -1.8 111 118 A M H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.873 109.7 53.4 -73.8 -33.9 -6.8 11.4 -0.5 112 119 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.923 111.2 44.9 -66.6 -44.9 -7.2 12.5 3.1 113 120 A D H X S+ 0 0 41 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.897 113.6 52.5 -62.6 -41.0 -11.0 12.9 2.7 114 121 A F H < S+ 0 0 80 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 116.9 36.6 -63.9 -37.8 -11.1 9.6 0.9 115 122 A A H < S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.730 137.9 10.3 -90.2 -23.7 -9.2 7.7 3.6 116 123 A A H < S- 0 0 32 -4,-2.1 2,-0.9 -5,-0.2 -3,-0.2 0.263 94.5-112.8-144.9 9.3 -10.5 9.3 6.8 117 124 A G S < S+ 0 0 61 -4,-2.1 2,-0.3 -5,-0.2 -4,-0.2 -0.154 88.9 31.8 88.2 -43.0 -13.5 11.6 5.9 118 125 A S S > S- 0 0 53 -2,-0.9 4,-1.7 -6,-0.3 5,-0.2 -0.973 76.1-117.1-144.7 161.1 -12.0 15.0 6.7 119 126 A Q H > S+ 0 0 39 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.868 114.5 52.2 -63.9 -37.0 -8.7 16.7 6.6 120 127 A D H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.860 108.6 47.8 -74.5 -32.6 -8.7 17.2 10.3 121 128 A A H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.856 110.7 52.8 -71.9 -34.7 -9.4 13.6 11.2 122 129 A F H >X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.6 0.961 107.9 50.4 -64.2 -50.2 -6.6 12.5 8.8 123 130 A V H 3X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.890 105.8 57.4 -54.0 -39.3 -4.3 14.9 10.6 124 131 A G H 3X S+ 0 0 36 -4,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.883 107.8 46.6 -57.3 -40.4 -5.5 13.3 13.8 125 132 A L H S+ 0 0 6 -4,-1.8 5,-2.2 1,-0.2 -1,-0.2 0.909 110.0 43.1 -56.0 -41.7 3.8 10.2 15.3 131 138 A N H ><5S+ 0 0 129 -4,-1.3 3,-1.3 -3,-0.3 -2,-0.2 0.883 110.0 53.6 -72.1 -43.9 3.1 8.9 18.7 132 139 A A H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 108.4 52.1 -61.8 -31.9 3.1 5.2 17.7 133 140 A L T 3<5S- 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.455 114.2-116.5 -84.6 -0.6 6.6 5.7 16.1 134 141 A G T < 5 + 0 0 39 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.686 53.7 165.9 74.9 19.6 8.0 7.3 19.3 135 142 A L < - 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