==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 07-DEC-11 4AB5 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, LYSR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR S.SAINSBURY,J.REN,N.J.SAUNDERS,D.I.STUART,R.J.OWENS . 436 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 4 0 0 0 4 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 92 A G > 0 0 48 0, 0.0 3,-0.6 0, 0.0 33,-0.3 0.000 360.0 360.0 360.0 64.0 -9.1 -25.8 3.9 2 93 A E T 3 + 0 0 179 1,-0.2 31,-0.1 31,-0.1 3,-0.1 0.822 360.0 53.9 -43.3 -55.7 -6.7 -28.2 2.2 3 94 A A T 3 S- 0 0 61 29,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.828 110.3-117.9 -52.3 -45.7 -3.5 -26.0 2.4 4 95 A G E < -a 33 0A 22 28,-1.2 30,-2.6 -3,-0.6 2,-0.3 -1.000 40.3 -45.0 140.9-137.7 -3.8 -25.5 6.2 5 96 A E E -a 34 0A 70 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.989 15.6-160.7-146.0 149.3 -4.3 -22.4 8.4 6 97 A L E -a 35 0A 0 28,-2.9 30,-1.7 -2,-0.3 2,-0.7 -0.887 19.5-179.2-124.3 89.1 -3.3 -18.8 9.1 7 98 A R E -a 36 0A 41 -2,-0.5 48,-2.2 28,-0.2 49,-1.8 -0.882 18.6-150.0 -92.1 109.2 -4.3 -18.1 12.7 8 99 A I E -ab 37 56A 0 28,-3.1 30,-3.2 -2,-0.7 2,-0.5 -0.819 5.6-157.3 -90.5 117.1 -3.3 -14.4 13.2 9 100 A A E +ab 38 57A 0 47,-2.9 49,-2.2 -2,-0.6 2,-0.3 -0.854 26.4 156.8 -95.9 120.0 -2.3 -13.4 16.8 10 101 A V + 0 0 0 28,-1.2 30,-0.4 -2,-0.5 49,-0.1 -0.966 25.3 170.4-149.0 127.0 -2.7 -9.7 17.3 11 102 A E + 0 0 11 47,-0.5 2,-0.5 -2,-0.3 -1,-0.1 0.293 56.1 102.6-117.8 6.1 -3.1 -7.7 20.6 12 103 A a > - 0 0 33 46,-0.2 4,-0.5 1,-0.1 102,-0.0 -0.821 56.7-157.7 -97.8 121.9 -2.6 -4.2 18.9 13 104 A H T >4 S+ 0 0 30 -2,-0.5 3,-0.9 1,-0.2 4,-0.3 0.900 90.1 49.8 -66.1 -50.8 -5.8 -2.2 18.3 14 105 A T T >4 S+ 0 0 12 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.803 98.0 72.9 -60.3 -31.8 -4.6 0.2 15.5 15 106 A a T >> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-1.3 0.809 83.7 67.6 -48.8 -41.7 -3.2 -2.9 13.6 16 107 A F H S+ 0 0 11 -3,-1.3 4,-1.0 -4,-0.4 -2,-0.2 0.678 122.4 60.3-102.5 -24.6 -4.7 -2.3 7.9 19 110 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -3,-0.2 0.844 99.6 55.1 -73.1 -39.7 -4.8 -6.0 9.0 20 111 A X H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.965 112.5 40.6 -63.4 -51.6 -8.5 -6.5 8.3 21 112 A P H > S+ 0 0 36 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.763 110.6 60.5 -68.2 -20.4 -8.4 -5.4 4.6 22 113 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 3,-0.4 0.893 106.6 46.1 -67.8 -38.4 -5.0 -7.3 4.3 23 114 A X H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.4 -1,-0.2 0.840 108.5 57.0 -67.5 -37.9 -7.0 -10.5 5.2 24 115 A G H < S+ 0 0 10 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.682 111.5 41.4 -66.3 -25.6 -9.7 -9.4 2.6 25 116 A E H X S+ 0 0 74 -4,-0.9 4,-0.8 -3,-0.4 -2,-0.2 0.821 115.1 50.2 -89.0 -42.1 -7.0 -9.3 -0.2 26 117 A F H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.6 0.894 98.7 69.5 -60.9 -48.2 -5.3 -12.6 0.9 27 118 A R H >< S+ 0 0 38 -4,-2.5 3,-0.6 1,-0.2 6,-0.2 0.869 101.8 39.4 -44.3 -60.1 -8.5 -14.6 1.1 28 119 A P H 34 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.785 116.3 54.3 -63.3 -26.7 -9.4 -14.9 -2.6 29 120 A X H << S+ 0 0 138 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.774 124.8 23.4 -71.6 -33.9 -5.7 -15.3 -3.5 30 121 A W S X< S+ 0 0 74 -4,-1.8 3,-1.5 -3,-0.6 -1,-0.3 -0.641 71.6 162.8-131.3 66.6 -5.4 -18.3 -1.0 31 122 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.639 74.5 57.2 -68.2 -10.4 -9.0 -19.7 -0.7 32 123 A Q T 3 S+ 0 0 95 -31,-0.1 -28,-1.2 2,-0.1 -29,-0.7 0.261 83.9 92.2-103.6 10.0 -7.8 -23.0 0.8 33 124 A V E < S-a 4 0A 8 -3,-1.5 2,-0.5 -6,-0.2 -28,-0.2 -0.938 78.3-133.7-103.4 115.6 -5.9 -21.4 3.7 34 125 A E E -a 5 0A 79 -30,-2.6 -28,-2.9 -2,-0.6 2,-0.3 -0.638 22.8-149.3 -74.9 118.1 -8.3 -21.2 6.7 35 126 A L E +a 6 0A 3 -2,-0.5 2,-0.3 330,-0.2 -28,-0.2 -0.669 23.1 163.2 -94.0 147.0 -8.1 -17.8 8.3 36 127 A D E -a 7 0A 28 -30,-1.7 -28,-3.1 -2,-0.3 2,-0.5 -0.974 30.9-134.4-156.9 155.4 -8.6 -16.9 12.0 37 128 A I E -a 8 0A 9 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.988 11.0-166.5-117.5 122.9 -7.9 -14.1 14.5 38 129 A V E +a 9 0A 20 -30,-3.2 -28,-1.2 -2,-0.5 2,-0.3 -0.919 39.7 138.1-109.8 89.9 -6.4 -15.1 17.9 39 130 A S + 0 0 51 -2,-0.7 -28,-0.2 -30,-0.2 -2,-0.1 -0.882 24.6 59.8-134.6 167.3 -6.9 -11.9 19.9 40 131 A G + 0 0 54 -30,-0.4 -1,-0.1 -2,-0.3 -29,-0.1 0.602 64.9 110.6 90.1 16.8 -8.0 -10.4 23.3 41 132 A F - 0 0 98 2,-0.2 3,-0.1 -3,-0.1 -30,-0.1 0.716 68.0-143.2 -91.0 -23.8 -5.5 -12.1 25.6 42 133 A Q + 0 0 91 1,-0.3 2,-0.3 67,-0.0 71,-0.1 0.805 65.9 100.7 61.1 36.9 -3.6 -8.7 26.4 43 134 A A S S- 0 0 51 66,-0.1 -1,-0.3 69,-0.0 -2,-0.2 -0.926 88.3 -65.6-142.4 161.4 -0.3 -10.6 26.4 44 135 A D > - 0 0 77 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.270 39.0-149.3 -53.1 121.3 2.7 -11.1 24.0 45 136 A P T 3> S+ 0 0 6 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.526 84.6 82.2 -76.1 -4.7 1.5 -13.1 21.0 46 137 A V H >> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.847 85.2 60.5 -65.1 -34.8 4.9 -14.8 20.4 47 138 A G H <> S+ 0 0 24 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.879 97.1 58.0 -58.6 -42.1 4.0 -17.3 23.1 48 139 A L H 34>S+ 0 0 14 -4,-0.4 5,-3.0 1,-0.2 6,-1.1 0.804 103.6 53.3 -59.6 -33.8 1.0 -18.5 21.1 49 140 A L H X<5S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.6 -1,-0.2 0.931 109.9 46.4 -66.9 -48.0 3.4 -19.4 18.2 50 141 A L H 3<5S+ 0 0 85 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 113.3 50.9 -60.7 -38.3 5.5 -21.6 20.5 51 142 A Q T 3<5S- 0 0 117 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.356 112.0-122.1 -81.3 1.9 2.3 -23.1 21.8 52 143 A H T < 5S+ 0 0 98 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.720 82.8 118.6 58.5 27.4 1.0 -23.9 18.2 53 144 A R S - 0 0 64 3,-0.5 3,-0.9 -3,-0.0 2,-0.3 -0.978 40.5-101.7-141.1 150.1 14.2 -16.1 20.5 66 157 A N T 3 S+ 0 0 159 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.564 103.7 16.5 -75.7 131.6 15.0 -19.7 19.6 67 158 A G T 3 S+ 0 0 46 -2,-0.3 119,-2.8 1,-0.2 120,-0.4 0.266 106.5 93.4 91.2 -7.1 12.5 -21.3 17.2 68 159 A I E < -D 185 0A 10 -3,-0.9 -3,-0.5 117,-0.3 2,-0.4 -0.961 55.7-156.1-124.9 138.0 10.8 -18.1 16.0 69 160 A S E -D 184 0A 27 115,-2.9 115,-2.4 -2,-0.4 2,-0.4 -0.901 9.2-144.3-114.3 138.4 11.7 -15.8 12.9 70 161 A F E -D 183 0A 52 -2,-0.4 113,-0.2 113,-0.2 -8,-0.1 -0.821 9.0-168.3-106.2 142.6 10.9 -12.2 12.4 71 162 A Q E -D 182 0A 39 111,-2.0 111,-2.7 -2,-0.4 2,-0.1 -0.996 25.9-125.0-127.3 118.4 9.9 -10.3 9.2 72 163 A P E +D 181 0A 44 0, 0.0 109,-0.2 0, 0.0 130,-0.1 -0.417 30.0 173.3 -66.0 139.2 9.9 -6.5 9.2 73 164 A L E - 0 0 3 107,-2.9 142,-0.3 1,-0.2 2,-0.3 0.742 52.5 -54.9-103.7 -73.7 6.7 -4.9 8.2 74 165 A F E -D 180 0A 0 106,-0.7 106,-2.3 140,-0.2 2,-0.3 -0.974 36.6-129.3-168.6 158.1 7.0 -1.1 8.7 75 166 A A E +DE 179 213A 0 138,-2.9 138,-2.4 -2,-0.3 2,-0.3 -0.797 27.2 173.3-111.8 152.8 7.9 1.7 11.2 76 167 A Y E -D 178 0A 9 102,-2.0 102,-3.0 -2,-0.3 2,-0.3 -0.982 32.9 -95.6-155.7 159.0 5.8 4.9 12.0 77 168 A E E -D 177 0A 73 134,-0.5 77,-2.3 -2,-0.3 2,-0.6 -0.576 24.3-140.8 -80.5 139.5 5.7 7.9 14.4 78 169 A X E -F 153 0B 23 98,-3.8 93,-0.6 -2,-0.3 98,-0.5 -0.892 27.5-162.0 -95.8 116.1 3.6 7.9 17.5 79 170 A V E -FG 152 170B 0 73,-3.0 73,-2.7 -2,-0.6 2,-0.3 -0.822 16.1-124.3-106.5 146.4 2.1 11.4 17.8 80 171 A G E -FG 151 169B 0 89,-3.0 89,-2.6 -2,-0.3 2,-0.4 -0.705 27.3-156.3 -85.3 135.8 0.6 13.1 20.8 81 172 A I E +FG 150 168B 0 69,-3.1 69,-1.8 -2,-0.3 2,-0.3 -0.968 20.7 157.3-120.6 136.8 -3.0 14.4 20.3 82 173 A C E - G 0 167B 0 85,-1.5 85,-2.3 -2,-0.4 62,-0.1 -0.902 48.5 -84.2-142.9 166.2 -4.8 17.2 22.2 83 174 A A > - 0 0 4 60,-0.5 3,-1.9 -2,-0.3 6,-0.2 -0.430 46.1-109.6 -70.4 150.7 -7.8 19.5 21.5 84 175 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.784 119.4 43.1 -54.7 -27.1 -6.8 22.7 19.5 85 176 A D T 3 S+ 0 0 141 4,-0.0 -2,-0.0 3,-0.0 5,-0.0 0.258 85.9 118.9-103.7 13.0 -7.4 24.9 22.6 86 177 A H S X S- 0 0 8 -3,-1.9 3,-2.0 1,-0.1 4,-0.3 -0.518 75.5-119.5 -73.5 141.1 -5.6 22.6 25.1 87 178 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.833 111.0 65.1 -53.8 -33.4 -2.5 24.2 26.8 88 179 A L G > S+ 0 0 14 1,-0.3 3,-1.2 2,-0.2 -3,-0.0 0.633 82.4 75.3 -65.1 -15.3 -0.2 21.5 25.3 89 180 A A G < S+ 0 0 16 -3,-2.0 -1,-0.3 1,-0.2 79,-0.1 0.734 86.0 66.4 -67.8 -20.4 -1.0 22.8 21.7 90 181 A A G < S+ 0 0 93 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.2 0.711 91.1 73.8 -70.4 -24.8 1.4 25.7 22.6 91 182 A K < - 0 0 82 -3,-1.2 3,-0.1 -4,-0.2 0, 0.0 -0.823 63.8-161.4 -96.1 129.2 4.3 23.2 22.8 92 183 A N S S+ 0 0 132 -2,-0.4 78,-1.6 1,-0.2 2,-0.4 0.862 85.6 35.1 -72.4 -38.6 5.8 21.8 19.5 93 184 A V E S-h 170 0B 47 76,-0.2 2,-0.6 78,-0.1 78,-0.2 -0.972 77.3-144.7-120.6 131.9 7.4 18.9 21.4 94 185 A W E -h 171 0B 1 76,-3.3 78,-2.8 -2,-0.4 2,-0.1 -0.868 13.9-154.1 -98.9 119.7 6.0 17.1 24.5 95 186 A T > - 0 0 53 -2,-0.6 3,-1.6 76,-0.2 4,-0.4 -0.464 34.4-103.6 -82.0 163.7 8.5 16.0 27.1 96 187 A A G > S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.881 123.6 59.4 -53.2 -39.8 7.7 13.0 29.5 97 188 A E G > S+ 0 0 95 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.663 90.2 69.8 -62.8 -23.5 7.0 15.6 32.2 98 189 A D G < S+ 0 0 35 -3,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.659 93.7 57.6 -71.3 -16.4 4.2 17.3 30.1 99 190 A F G < S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.606 80.9 95.3 -85.2 -18.2 2.1 14.2 30.7 100 191 A I S < S+ 0 0 100 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.840 94.2 26.1 -42.5 -58.3 2.2 14.5 34.6 101 192 A G S S+ 0 0 63 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.860 104.8 93.5 -77.2 -39.4 -1.0 16.5 35.1 102 193 A E S S- 0 0 61 -4,-0.4 2,-0.4 1,-0.1 46,-0.0 -0.150 76.7-116.3 -62.1 146.9 -3.1 15.3 32.1 103 194 A T - 0 0 46 25,-0.1 46,-2.8 27,-0.1 2,-0.5 -0.698 31.4-140.6 -80.9 128.8 -5.5 12.4 31.8 104 195 A L E -ij 130 149C 2 25,-3.5 27,-2.2 -2,-0.4 2,-0.6 -0.862 7.4-153.2 -99.7 122.5 -4.1 9.8 29.3 105 196 A I E +i 131 0C 3 44,-3.3 46,-0.5 -2,-0.5 2,-0.2 -0.866 32.0 150.6 -97.6 118.6 -6.7 8.1 26.9 106 197 A T E -i 132 0C 13 25,-2.1 27,-1.8 -2,-0.6 46,-0.0 -0.831 50.6 -80.9-135.1 177.1 -5.5 4.6 25.8 107 198 A Y - 0 0 20 -2,-0.2 2,-2.4 25,-0.2 27,-0.2 -0.480 56.8 -98.4 -78.6 152.3 -6.8 1.2 24.7 108 199 A P S S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.459 88.4 111.5 -78.6 69.9 -7.9 -1.1 27.7 109 200 A V S S- 0 0 16 -2,-2.4 5,-0.1 1,-0.0 -66,-0.1 -0.953 75.0 -86.3-134.8 152.7 -4.5 -3.0 27.6 110 201 A P > - 0 0 57 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.193 40.4-107.4 -63.9 156.7 -1.6 -3.1 30.2 111 202 A D G > S+ 0 0 42 1,-0.3 3,-1.1 2,-0.2 7,-0.7 0.731 116.7 68.1 -51.5 -31.6 1.3 -0.6 30.0 112 203 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 5,-0.1 -69,-0.0 0.776 100.5 50.0 -59.8 -30.0 3.6 -3.2 28.6 113 204 A X G < S+ 0 0 55 -3,-2.0 2,-0.5 -71,-0.1 -1,-0.3 0.577 98.1 82.3 -83.1 -16.5 1.5 -3.2 25.4 114 205 A L <> - 0 0 24 -3,-1.1 4,-2.3 -4,-0.4 5,-0.2 -0.875 65.1-155.2-103.7 119.8 1.6 0.6 25.1 115 206 A D H > S+ 0 0 12 -2,-0.5 4,-2.8 2,-0.2 5,-0.3 0.869 91.5 51.7 -54.8 -49.5 4.7 2.3 23.5 116 207 A L H >>S+ 0 0 4 2,-0.2 4,-1.9 3,-0.2 5,-1.4 0.973 116.2 37.3 -58.4 -60.6 4.4 5.7 25.2 117 208 A P H 4>S+ 0 0 3 0, 0.0 5,-3.2 0, 0.0 -2,-0.2 0.933 122.4 45.5 -57.3 -47.9 4.1 4.4 28.9 118 209 A K H <5S+ 0 0 52 -4,-2.3 -2,-0.2 -7,-0.7 -3,-0.2 0.899 123.5 30.6 -59.3 -53.1 6.7 1.5 28.3 119 210 A K H <5S+ 0 0 92 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.574 138.4 10.9 -85.3 -17.5 9.4 3.5 26.4 120 211 A I T <5S+ 0 0 18 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.1 0.694 124.7 37.8-129.3 -53.2 8.9 7.0 28.0 121 212 A L T > XS+ 0 0 0 -5,-1.4 5,-3.1 2,-0.2 3,-0.5 0.936 111.0 50.5 -78.4 -53.4 6.6 7.3 31.1 122 213 A I G > - 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0 0 29 1,-0.1 4,-1.7 -220,-0.0 3,-0.3 -0.913 65.2-154.6-113.4 130.6 -14.5 -4.4 16.6 356 227 B T H > S+ 0 0 22 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.882 99.1 58.1 -61.6 -44.8 -17.0 -4.6 13.7 357 228 B I H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.823 108.2 46.7 -57.0 -34.8 -14.1 -4.9 11.1 358 229 B A H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.866 109.0 54.6 -76.5 -38.1 -12.9 -8.1 13.0 359 230 B I H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.946 109.6 47.7 -57.3 -51.5 -16.5 -9.5 13.1 360 231 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.883 112.0 48.6 -58.1 -44.6 -16.8 -9.2 9.3 361 232 B Q H X S+ 0 0 3 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.836 112.5 48.6 -67.0 -33.1 -13.4 -10.8 8.6 362 233 B L H <>S+ 0 0 6 -4,-2.0 5,-2.7 2,-0.2 6,-0.4 0.895 113.4 46.8 -70.7 -42.1 -14.2 -13.7 11.0 363 234 B V H ><5S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -60,-0.5 0.950 112.1 51.0 -62.8 -48.7 -17.7 -14.2 9.3 364 235 B A H 3<5S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 106.4 54.7 -59.4 -29.9 -15.9 -14.0 5.8 365 236 B S T 3<5S- 0 0 15 -4,-1.1 -1,-0.3 -5,-0.2 -330,-0.2 0.245 120.1-112.0 -89.3 9.8 -13.4 -16.7 6.9 366 237 B R T < 5S+ 0 0 123 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.726 77.7 135.1 61.7 30.4 -16.4 -19.0 7.8 367 238 B R S -P 298 0E 3 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.316 38.8-123.4 -59.0 145.1 -27.5 -3.3 11.2 374 245 B Y H > S+ 0 0 58 -77,-2.3 4,-2.2 1,-0.2 57,-0.1 0.898 111.5 56.4 -55.6 -44.0 -28.0 -3.2 7.4 375 246 B W H 4 S+ 0 0 15 55,-0.2 -1,-0.2 1,-0.2 56,-0.1 0.831 108.6 46.4 -58.1 -36.1 -26.2 0.2 7.2 376 247 B T H 4 S+ 0 0 7 -3,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.864 114.4 47.9 -70.0 -43.7 -23.0 -1.2 8.9 377 248 B V H >X S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 4,-0.9 0.810 91.4 83.6 -66.8 -40.1 -23.0 -4.3 6.7 378 249 B X H >X S+ 0 0 57 -4,-2.2 4,-1.0 1,-0.2 3,-0.9 0.780 86.3 50.1 -40.8 -51.5 -23.5 -2.4 3.4 379 250 B P H 3> S+ 0 0 45 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.819 110.8 52.6 -61.5 -28.5 -19.8 -1.4 2.6 380 251 B Y H <4>S+ 0 0 42 -3,-1.3 5,-1.4 -4,-0.3 6,-0.7 0.675 99.5 60.2 -79.8 -19.7 -18.6 -5.0 3.2 381 252 B L H X<5S+ 0 0 44 -3,-0.9 3,-0.8 -4,-0.9 -1,-0.2 0.847 102.5 54.6 -72.9 -35.3 -21.2 -6.5 0.7 382 253 B E H 3<5S+ 0 0 147 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 106.6 50.7 -65.2 -35.9 -19.5 -4.4 -2.0 383 254 B K T 3<5S- 0 0 110 -4,-0.7 -1,-0.2 1,-0.0 -2,-0.2 0.482 112.2-122.3 -82.2 -6.9 -16.1 -5.9 -1.2 384 255 B G T < 5S+ 0 0 45 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.510 75.6 124.8 76.0 9.9 -17.6 -9.5 -1.4 385 256 B Y S S+ 0 0 63 -119,-0.8 3,-1.2 1,-0.2 4,-0.1 0.844 112.6 58.3 -64.7 -31.7 -37.8 15.0 32.4 407 278 B E G > S+ 0 0 131 -120,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.828 103.4 54.0 -64.0 -33.7 -36.4 18.2 34.2 408 279 B D G > S+ 0 0 9 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.413 74.0 101.8 -84.4 0.2 -33.9 18.6 31.3 409 280 B T G < S+ 0 0 73 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.670 79.2 59.0 -56.4 -20.6 -36.6 18.6 28.5 410 281 B D G < S+ 0 0 117 -3,-0.6 2,-0.5 -4,-0.1 -1,-0.3 0.659 77.6 107.3 -82.3 -22.3 -36.3 22.4 28.4 411 282 B K <> - 0 0 74 -3,-1.8 4,-1.5 1,-0.1 3,-0.4 -0.517 58.0-156.1 -68.9 111.8 -32.5 22.4 27.6 412 283 B S H > S+ 0 0 51 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.843 88.1 54.5 -55.6 -46.5 -32.0 23.4 23.9 413 284 B Y H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.817 105.6 52.9 -62.6 -36.4 -28.6 21.7 23.3 414 285 B L H > S+ 0 0 2 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.941 114.4 42.5 -63.3 -47.6 -29.9 18.3 24.4 415 286 B N H X S+ 0 0 67 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.871 114.5 51.2 -64.6 -40.7 -32.8 18.6 22.0 416 287 B N H X S+ 0 0 34 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.810 104.3 57.2 -69.9 -30.4 -30.5 20.0 19.3 417 288 B F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 107.8 48.7 -66.0 -36.6 -28.0 17.0 19.8 418 289 B C H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.867 109.8 50.1 -70.2 -38.1 -31.0 14.6 19.0 419 290 B Q H X S+ 0 0 78 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.832 110.0 51.9 -70.5 -27.8 -31.9 16.6 15.9 420 291 B I H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.932 109.1 49.7 -68.6 -47.9 -28.2 16.4 14.7 421 292 B I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.895 115.3 44.9 -56.0 -45.7 -28.2 12.6 15.3 422 293 B R H X S+ 0 0 62 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.929 114.1 45.8 -67.1 -50.1 -31.5 12.3 13.2 423 294 B E H X S+ 0 0 122 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.889 118.2 44.9 -60.0 -42.3 -30.4 14.6 10.3 424 295 B R H X S+ 0 0 68 -4,-2.5 4,-1.4 2,-0.2 3,-0.2 0.896 115.1 46.4 -68.0 -46.4 -27.0 12.9 10.1 425 296 B G H X S+ 0 0 1 -4,-2.4 4,-3.3 -5,-0.2 3,-0.5 0.947 111.6 49.5 -62.6 -52.3 -28.4 9.4 10.3 426 297 B F H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.688 117.3 42.5 -62.4 -20.6 -31.1 9.8 7.7 427 298 B A H < S+ 0 0 79 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.656 125.9 30.5 -97.6 -22.5 -28.7 11.4 5.3 428 299 B D H < S+ 0 0 103 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.681 107.7 65.9-111.5 -26.3 -25.8 8.9 5.8 429 300 B L S >< S- 0 0 26 -4,-3.3 3,-0.7 -5,-0.2 -1,-0.1 -0.900 70.6-141.6-107.5 120.2 -27.3 5.6 6.8 430 301 B P T 3 S+ 0 0 53 0, 0.0 -55,-0.2 0, 0.0 -52,-0.1 -0.457 80.2 29.9 -76.9 151.5 -29.4 3.6 4.3 431 302 B G T 3 S+ 0 0 39 1,-0.3 -134,-0.5 -2,-0.1 2,-0.2 0.606 79.2 146.3 80.8 16.9 -32.5 1.6 5.4 432 303 B L < - 0 0 26 -3,-0.7 2,-0.3 -136,-0.1 -1,-0.3 -0.575 27.7-164.4 -83.8 146.7 -33.5 3.9 8.3 433 304 B S B -O 295 0D 46 -138,-2.5 -138,-2.9 -2,-0.2 2,-0.0 -0.970 26.7 -97.3-132.7 148.4 -37.1 4.4 9.2 434 305 B E - 0 0 160 -2,-0.3 2,-0.4 -140,-0.2 -140,-0.2 -0.326 35.8-142.2 -62.1 142.1 -39.0 7.0 11.3 435 306 B L - 0 0 15 -142,-0.3 -1,-0.1 -35,-0.1 -36,-0.0 -0.871 22.3-110.5-107.5 147.1 -39.8 6.0 14.9 436 307 B E 0 0 152 -2,-0.4 -145,-0.0 1,-0.3 -142,-0.0 -0.918 360.0 360.0-130.0 149.3 -43.0 7.0 16.7 437 308 B P 0 0 148 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.447 360.0 360.0 -79.6 360.0 -44.1 8.7 19.0