==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 07-NOV-07 3BAC . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.PINKO . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 20.0 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 . 2 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 . 1 0.4 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 1 0 1 1 0 0 2 1 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 . 3 0 1 1 0 1 2 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 . 1 1 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 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 69 A G 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-162.1 94.0 134.7 75.2 2 70 A F - 0 0 35 1,-0.1 2,-0.1 139,-0.0 76,-0.1 -0.483 360.0-104.0 -77.3 148.0 95.9 131.9 76.9 3 71 A S - 0 0 80 74,-0.3 74,-2.9 -2,-0.2 2,-0.2 -0.474 39.6-119.4 -69.0 141.9 99.4 131.2 75.8 4 72 A Q E -A 76 0A 129 72,-0.2 2,-0.4 -2,-0.1 72,-0.2 -0.614 27.0-164.9 -84.7 145.1 99.6 128.1 73.6 5 73 A I E -A 75 0A 22 70,-3.0 70,-3.3 -2,-0.2 2,-0.7 -0.993 12.9-145.0-133.6 125.1 101.7 125.1 74.8 6 74 A R E -A 74 0A 189 -2,-0.4 2,-0.2 68,-0.3 68,-0.2 -0.815 29.5-121.2 -90.7 119.3 102.7 122.3 72.5 7 75 A H - 0 0 8 66,-1.2 4,-0.1 -2,-0.7 -1,-0.0 -0.443 9.8-146.2 -62.5 123.3 102.7 119.1 74.7 8 76 A E S S+ 0 0 127 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.933 95.3 31.8 -54.2 -46.4 106.2 117.6 74.6 9 77 A I S S- 0 0 64 1,-0.1 -1,-0.1 -3,-0.0 153,-0.1 -0.910 104.5-105.9-110.7 139.5 104.4 114.2 74.8 10 78 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 63,-0.2 -0.096 12.8-136.2 -62.5 161.9 101.0 113.9 73.2 11 79 A M - 0 0 9 61,-2.6 63,-0.1 58,-0.2 42,-0.0 -0.814 34.3-159.2-119.6 82.2 97.7 113.7 75.1 12 80 A L - 0 0 100 -2,-0.5 2,-0.1 1,-0.1 60,-0.1 -0.063 6.2-131.3 -61.0 161.4 96.0 110.8 73.2 13 81 A S - 0 0 88 1,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.365 21.7-116.8-102.3-173.0 92.3 110.2 73.0 14 82 A L - 0 0 101 -2,-0.1 2,-0.2 207,-0.0 207,-0.0 -0.939 10.3-124.2-131.1 151.9 90.5 106.9 73.6 15 83 A D - 0 0 125 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.595 37.6-132.7 -84.4 155.9 88.3 104.5 71.6 16 84 A N - 0 0 108 -2,-0.2 2,-0.4 205,-0.0 205,-0.0 -0.763 17.7-162.7-116.1 160.3 85.0 103.8 73.2 17 85 A A - 0 0 54 -2,-0.3 3,-0.1 1,-0.0 4,-0.0 -0.996 7.4-178.1-137.2 136.5 82.8 100.8 73.9 18 86 A F + 0 0 157 -2,-0.4 2,-0.3 1,-0.1 3,-0.1 0.115 69.9 37.1-121.4 18.4 79.1 100.9 74.7 19 87 A S S > S- 0 0 47 1,-0.1 4,-2.0 0, 0.0 -1,-0.1 -0.976 78.0-116.3-164.8 154.5 78.6 97.2 75.3 20 88 A D H > S+ 0 0 80 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.874 117.1 62.4 -61.2 -34.4 80.2 94.2 76.8 21 89 A A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.957 106.4 40.8 -54.2 -55.3 80.1 92.9 73.2 22 90 A E H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.801 113.0 57.9 -64.2 -30.7 82.3 95.7 71.9 23 91 A F H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 108.1 41.9 -65.8 -50.0 84.5 95.3 75.0 24 92 A N H X S+ 0 0 62 -4,-2.8 4,-3.6 1,-0.2 5,-0.3 0.885 110.0 60.3 -63.5 -37.4 85.3 91.7 74.5 25 93 A A H X S+ 0 0 44 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.913 106.8 46.7 -51.7 -45.4 85.7 92.6 70.8 26 94 A F H X S+ 0 0 64 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.871 112.7 49.0 -63.2 -43.6 88.5 94.9 72.1 27 95 A V H >X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 3,-0.9 0.967 110.9 48.6 -62.3 -56.6 90.0 92.2 74.3 28 96 A K H 3X S+ 0 0 112 -4,-3.6 4,-2.5 1,-0.3 5,-0.3 0.943 106.5 57.2 -48.3 -55.0 90.0 89.6 71.5 29 97 A R H 3X S+ 0 0 142 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.3 0.829 111.7 44.9 -46.3 -36.3 91.7 92.2 69.2 30 98 A I H S-DE 100 62C 47 3,-2.8 3,-1.5 -2,-0.5 41,-0.2 -0.901 81.2 -24.0-109.4 107.1 110.6 120.2 87.9 60 128 A N T 3 S- 0 0 99 38,-1.3 -1,-0.2 39,-1.1 39,-0.1 0.938 131.1 -46.2 56.8 47.3 112.6 118.7 90.7 61 129 A G T 3 S+ 0 0 0 37,-0.5 31,-2.4 1,-0.2 2,-0.4 0.165 114.9 115.1 85.0 -16.9 109.4 118.4 92.8 62 130 A E E < S-EF 59 91C 112 -3,-1.5 -3,-2.8 29,-0.2 2,-0.5 -0.740 70.4-123.3 -95.5 130.8 108.1 121.9 92.0 63 131 A L E +E 58 0C 1 27,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.563 43.2 161.9 -66.4 118.2 104.9 122.5 90.1 64 132 A T E - 0 0 54 -7,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.647 54.9 -0.3-114.2 -24.3 106.3 124.7 87.3 65 133 A Q E -E 57 0C 59 -8,-1.2 -8,-3.9 14,-0.1 -1,-0.3 -0.970 49.8-174.1-167.9 151.8 103.6 124.6 84.6 66 134 A A E -E 56 0C 0 -2,-0.3 12,-1.8 -10,-0.2 13,-0.5 -0.983 8.2-178.4-147.0 153.2 100.2 123.2 83.5 67 135 A A E -EG 55 77C 2 -12,-1.6 -12,-2.5 -2,-0.3 10,-0.2 -0.962 28.6-105.0-149.6 164.9 98.0 123.2 80.4 68 136 A T E -E 54 0C 3 8,-1.7 -14,-0.2 -2,-0.3 -63,-0.1 -0.437 39.6-108.6 -86.0 166.0 94.7 122.0 78.9 69 137 A R > + 0 0 69 -16,-1.3 3,-1.9 1,-0.2 5,-0.3 0.852 49.3 175.8 -66.2 -35.1 94.6 119.1 76.5 70 138 A G T 3 S- 0 0 38 1,-0.3 5,-0.2 -17,-0.2 -1,-0.2 -0.439 70.8 -21.3 66.7-137.1 93.7 121.2 73.5 71 139 A D T 3 S- 0 0 105 3,-1.3 -1,-0.3 -2,-0.1 4,-0.1 0.328 101.9 -94.6 -87.3 7.2 93.6 119.1 70.3 72 140 A G S < S+ 0 0 7 -3,-1.9 -61,-2.6 2,-0.3 -2,-0.1 0.042 124.8 54.9 101.2 -22.5 95.7 116.5 72.1 73 141 A T S S+ 0 0 52 1,-0.3 -66,-1.2 -63,-0.2 2,-0.4 0.636 112.5 30.1-114.7 -22.6 98.8 118.0 70.6 74 142 A T E +A 6 0A 39 -5,-0.3 -3,-1.3 -68,-0.2 -1,-0.3 -0.973 67.9 171.9-142.0 125.2 98.6 121.7 71.7 75 143 A G E -A 5 0A 0 -70,-3.3 -70,-3.0 -2,-0.4 2,-0.4 -0.509 32.8 -92.5-119.5-170.0 97.0 123.1 74.8 76 144 A E E -A 4 0A 22 -72,-0.2 -8,-1.7 -2,-0.2 2,-0.7 -0.862 36.4-110.6-110.7 143.1 96.6 126.3 76.7 77 145 A D B +G 67 0C 50 -74,-2.9 -74,-0.3 -2,-0.4 -10,-0.3 -0.602 47.3 156.9 -72.9 109.9 98.8 127.5 79.6 78 146 A I > + 0 0 0 -12,-1.8 4,-2.2 -2,-0.7 -11,-0.2 -0.204 22.4 131.3-127.1 37.8 96.6 127.3 82.7 79 147 A T H > S+ 0 0 14 -13,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.949 74.1 44.6 -57.2 -55.3 99.4 127.1 85.3 80 148 A A H > S+ 0 0 49 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.883 111.6 54.0 -58.9 -40.7 98.1 129.8 87.6 81 149 A N H >4 S+ 0 0 7 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.918 108.6 50.6 -59.1 -43.4 94.6 128.4 87.4 82 150 A I H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.858 99.5 62.4 -63.3 -40.7 95.9 125.0 88.4 83 151 A R H 3< S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.771 95.4 63.4 -59.1 -24.2 97.8 126.3 91.4 84 152 A T T << S+ 0 0 43 -4,-0.9 2,-0.9 -3,-0.8 -1,-0.3 0.637 78.6 98.4 -75.4 -12.9 94.5 127.4 92.9 85 153 A I X - 0 0 4 -3,-2.1 3,-2.2 -4,-0.2 69,-0.1 -0.653 66.6-153.3 -81.2 105.9 93.3 123.7 93.0 86 154 A R T 3 S+ 0 0 235 -2,-0.9 -1,-0.2 1,-0.3 68,-0.1 0.866 88.7 54.0 -43.2 -57.6 93.8 122.6 96.6 87 155 A N T 3 S+ 0 0 52 66,-0.4 -1,-0.3 2,-0.1 67,-0.1 0.414 89.7 92.2 -68.0 5.8 94.3 118.9 96.1 88 156 A V S < S- 0 0 5 -3,-2.2 2,-0.1 -6,-0.2 96,-0.1 -0.901 78.5-135.3-100.0 117.2 97.0 119.7 93.6 89 157 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.464 10.9-156.5 -73.8 144.3 100.4 119.7 95.4 90 158 A L S S+ 0 0 89 1,-0.3 -27,-2.8 -2,-0.1 2,-0.4 0.691 86.9 35.6 -89.3 -20.4 102.9 122.5 94.6 91 159 A Q B S-F 62 0C 103 -29,-0.2 2,-0.3 92,-0.1 -1,-0.3 -0.994 80.5-134.4-136.4 124.9 105.7 120.3 95.8 92 160 A L - 0 0 4 -31,-2.4 2,-0.9 -2,-0.4 3,-0.4 -0.603 26.6-131.4 -73.7 135.8 106.0 116.5 95.3 93 161 A L + 0 0 116 89,-2.0 -1,-0.1 -2,-0.3 -32,-0.0 -0.773 70.0 95.9 -99.1 106.3 107.1 114.9 98.6 94 162 A T S S- 0 0 42 -2,-0.9 -1,-0.2 88,-0.1 89,-0.0 0.456 74.6-128.4-155.0 -17.7 110.0 112.5 98.1 95 163 A D S S+ 0 0 164 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.0 0.175 105.5 63.4 76.5 -21.7 113.4 114.2 98.7 96 164 A N S S+ 0 0 130 -35,-0.0 -35,-0.1 2,-0.0 3,-0.1 -0.453 72.1 177.3-131.9 60.5 114.2 112.7 95.3 97 165 A P - 0 0 33 0, 0.0 -35,-0.1 0, 0.0 68,-0.0 -0.391 37.7-104.7 -66.9 136.5 111.9 114.4 92.7 98 166 A P - 0 0 1 0, 0.0 -38,-1.3 0, 0.0 -37,-0.5 -0.167 32.2-108.0 -56.5 159.5 112.4 113.3 89.1 99 167 A A S S- 0 0 34 1,-0.3 -39,-1.1 -40,-0.2 2,-0.3 0.958 103.8 -5.1 -49.7 -53.6 114.2 115.9 87.0 100 168 A R E S-D 59 0C 48 -41,-0.2 64,-2.1 -40,-0.1 2,-0.4 -0.995 70.9-177.3-144.6 139.2 110.9 116.5 85.3 101 169 A L E -DH 58 163C 0 -43,-2.1 -43,-3.7 -2,-0.3 2,-0.6 -0.999 11.9-155.4-140.1 136.1 107.6 114.7 85.8 102 170 A E E -D 57 0C 9 60,-2.5 59,-2.5 -2,-0.4 2,-0.4 -0.954 10.6-163.4-117.9 114.4 104.4 115.3 83.9 103 171 A V E -DH 56 160C 3 -47,-3.5 -47,-3.3 -2,-0.6 2,-0.4 -0.809 6.4-164.6 -98.5 136.7 101.2 114.3 85.8 104 172 A R E +DH 55 159C 21 55,-2.4 54,-3.5 -2,-0.4 55,-1.6 -0.960 24.7 116.2-125.8 139.7 98.0 113.9 83.8 105 173 A G E -DH 54 157C 0 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.4 -0.970 55.6 -63.2-173.5-172.0 94.4 113.7 85.0 106 174 A E E -DH 53 156C 20 50,-2.4 50,-2.4 -2,-0.3 2,-0.5 -0.793 29.1-156.1 -99.7 133.9 90.9 115.1 85.2 107 175 A V E +DH 52 155C 0 -55,-3.6 -55,-2.3 -2,-0.4 2,-0.3 -0.890 33.3 161.6-102.2 138.0 90.0 118.4 86.8 108 176 A F E - H 0 154C 10 46,-2.2 46,-2.1 -2,-0.5 -57,-0.1 -0.974 41.1-119.3-154.8 169.0 86.4 118.3 87.9 109 177 A M - 0 0 1 -59,-0.4 107,-0.4 -2,-0.3 44,-0.2 -0.959 29.6-138.0-116.9 115.3 83.7 119.8 90.0 110 178 A P > - 0 0 32 0, 0.0 4,-2.5 0, 0.0 105,-0.3 -0.217 31.1-100.6 -66.4 162.9 81.9 117.6 92.6 111 179 A H H > S+ 0 0 33 103,-2.8 4,-3.0 1,-0.2 5,-0.3 0.883 119.1 54.5 -52.2 -46.2 78.2 117.7 93.1 112 180 A A H > S+ 0 0 60 102,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.944 113.2 41.1 -56.4 -50.5 78.3 119.9 96.2 113 181 A G H > S+ 0 0 10 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.955 115.4 50.7 -61.8 -50.9 80.4 122.6 94.6 114 182 A F H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.915 112.0 47.5 -51.1 -51.6 78.5 122.5 91.3 115 183 A E H X S+ 0 0 120 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.907 113.0 48.2 -59.1 -44.8 75.2 122.8 93.1 116 184 A R H X S+ 0 0 186 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.928 111.1 50.1 -63.8 -46.1 76.4 125.7 95.3 117 185 A L H X S+ 0 0 34 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.932 113.5 45.6 -57.8 -49.3 77.8 127.6 92.3 118 186 A N H X S+ 0 0 20 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.834 107.1 57.7 -65.2 -34.6 74.6 127.2 90.3 119 187 A K H X S+ 0 0 115 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.965 110.4 45.6 -58.9 -49.4 72.5 128.2 93.3 120 188 A Y H X S+ 0 0 129 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.938 111.5 52.2 -57.4 -50.0 74.5 131.4 93.4 121 189 A A H ><>S+ 0 0 11 -4,-2.5 3,-1.6 1,-0.2 5,-1.1 0.952 112.0 44.0 -51.5 -59.0 74.2 131.9 89.6 122 190 A L H ><5S+ 0 0 125 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.914 112.8 51.1 -53.6 -50.1 70.4 131.6 89.5 123 191 A E H 3<5S+ 0 0 119 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.513 114.0 46.9 -68.8 -4.2 69.8 133.7 92.5 124 192 A H T <<5S- 0 0 92 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 -0.051 121.4-101.3-126.7 28.3 72.1 136.4 90.9 125 193 A N T < 5S+ 0 0 153 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.926 77.1 129.4 51.1 61.8 70.5 136.4 87.4 126 194 A E < - 0 0 105 -5,-1.1 -2,-0.2 -8,-0.1 -1,-0.2 -0.995 65.8 -97.9-146.2 135.8 73.1 134.3 85.6 127 195 A K - 0 0 213 -2,-0.3 2,-0.1 1,-0.1 -6,-0.0 -0.238 43.7-131.1 -50.8 133.1 72.8 131.2 83.3 128 196 A T - 0 0 71 1,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.479 24.8 -98.5 -84.9 159.2 73.6 128.1 85.3 129 197 A F - 0 0 62 -15,-0.2 -1,-0.1 -2,-0.1 -11,-0.1 -0.616 24.0-137.3 -78.6 137.5 76.0 125.5 84.1 130 198 A A S S- 0 0 85 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.829 78.6 -9.3 -63.9 -30.9 74.3 122.5 82.5 131 199 A N S > S- 0 0 51 1,-0.1 4,-2.5 -17,-0.0 5,-0.2 -0.980 71.9 -97.6-161.1 165.6 76.5 120.0 84.2 132 200 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -23,-0.2 0.839 118.9 59.5 -58.8 -34.8 79.6 119.6 86.4 133 201 A R H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.993 111.0 37.1 -56.3 -66.7 81.6 118.8 83.3 134 202 A N H > S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.844 116.2 54.8 -54.0 -38.7 80.9 122.1 81.6 135 203 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.3 0.887 108.5 49.6 -64.2 -38.3 81.1 123.9 84.9 136 204 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -3,-0.5 5,-0.3 0.970 109.1 50.4 -63.8 -55.7 84.5 122.5 85.4 137 205 A A H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.905 116.7 41.1 -50.2 -48.7 85.8 123.5 82.0 138 206 A G H < S+ 0 0 22 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.943 112.3 53.2 -67.9 -47.1 84.7 127.0 82.5 139 207 A S H < S+ 0 0 0 -4,-2.9 3,-0.2 -5,-0.2 -1,-0.2 0.875 118.2 39.0 -55.0 -36.0 85.7 127.3 86.1 140 208 A L H < S+ 0 0 0 -4,-2.6 2,-2.5 1,-0.2 -2,-0.2 0.914 103.2 65.0 -82.9 -47.2 89.2 126.2 85.0 141 209 A R S < S+ 0 0 112 -4,-2.7 2,-0.5 -5,-0.3 -1,-0.2 -0.411 74.9 143.3 -78.2 67.1 89.8 127.9 81.7 142 210 A Q - 0 0 47 -2,-2.5 -61,-0.1 -3,-0.2 6,-0.1 -0.929 51.4-149.7-113.7 130.5 89.7 131.4 83.2 143 211 A L S S+ 0 0 114 -2,-0.5 -1,-0.1 1,-0.2 -62,-0.0 0.857 96.3 58.4 -62.1 -32.8 91.9 134.3 82.1 144 212 A D S >> S- 0 0 67 1,-0.1 3,-1.8 -3,-0.1 4,-1.2 -0.842 74.5-159.2-102.1 104.3 91.8 135.5 85.7 145 213 A P H 3> S+ 0 0 42 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.619 87.7 69.9 -55.5 -13.1 93.1 132.7 88.0 146 214 A N H 3> S+ 0 0 105 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.839 96.8 49.7 -73.6 -36.2 91.3 134.4 90.9 147 215 A I H X> S+ 0 0 48 -3,-1.8 3,-1.4 2,-0.2 4,-0.5 0.971 110.9 48.8 -63.0 -54.8 87.9 133.3 89.5 148 216 A T H >< S+ 0 0 1 -4,-1.2 3,-1.2 1,-0.3 5,-0.2 0.847 104.1 64.7 -51.7 -34.3 89.3 129.8 89.1 149 217 A S H 3< S+ 0 0 64 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.878 102.8 45.3 -56.7 -40.8 90.4 130.3 92.7 150 218 A K H << S+ 0 0 164 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.409 94.4 90.8 -87.7 0.6 86.8 130.6 93.9 151 219 A R S << S- 0 0 62 -3,-1.2 2,-1.5 -4,-0.5 -37,-0.1 -0.824 83.5-118.7 -98.4 135.7 85.4 127.6 91.9 152 220 A P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 -38,-0.1 -0.539 48.8 165.1 -77.5 88.8 85.5 124.2 93.6 153 221 A L - 0 0 14 -2,-1.5 2,-0.4 -5,-0.2 -66,-0.4 -0.705 17.6-165.7-105.5 155.1 87.8 122.1 91.4 154 222 A V E -H 108 0C 39 -46,-2.1 -46,-2.2 -2,-0.3 2,-0.5 -1.000 11.1-140.7-144.1 141.4 89.5 118.8 92.1 155 223 A L E -H 107 0C 3 -2,-0.4 2,-0.5 -48,-0.2 -48,-0.2 -0.876 13.6-178.3-106.8 129.8 92.3 116.9 90.4 156 224 A N E -H 106 0C 21 -50,-2.4 -50,-2.4 -2,-0.5 30,-0.2 -0.957 21.8-144.5-126.7 108.4 92.3 113.1 89.9 157 225 A A E +Hi 105 186C 3 28,-3.2 30,-0.5 -2,-0.5 -52,-0.3 -0.393 27.5 166.3 -72.7 147.6 95.5 111.9 88.2 158 226 A Y E + 0 0 72 -54,-3.5 2,-0.3 1,-0.2 -53,-0.2 0.314 57.8 3.2-142.0 1.4 95.5 109.0 85.8 159 227 A G E -H 104 0C 12 -55,-1.6 -55,-2.4 16,-0.1 2,-0.3 -0.992 57.0-111.0-172.6-179.5 98.9 109.0 84.0 160 228 A I E +H 103 0C 36 -2,-0.3 -57,-0.2 -57,-0.2 3,-0.1 -0.956 17.8 176.6-131.7 147.3 102.3 110.3 83.3 161 229 A G E + 0 0 12 -59,-2.5 -1,-0.1 1,-0.6 -57,-0.1 0.274 69.3 17.2-112.0-116.5 103.9 112.2 80.4 162 230 A I E + 0 0 10 -61,-0.1 -60,-2.5 -153,-0.1 -1,-0.6 -0.210 67.3 170.2 -55.8 148.8 107.5 113.3 80.6 163 231 A A E +H 101 0C 34 -62,-0.2 -62,-0.2 -3,-0.1 5,-0.1 -0.822 8.3 150.9-163.6 118.9 109.5 111.6 83.4 164 232 A E + 0 0 97 -64,-2.1 2,-2.4 -2,-0.3 -63,-0.1 0.733 62.3 51.7-120.4 -70.9 113.2 111.9 83.7 165 233 A G S S+ 0 0 49 -65,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.085 106.1 75.2 -64.2 34.7 115.0 111.6 87.1 166 234 A V - 0 0 45 -2,-2.4 2,-0.5 -66,-0.1 -3,-0.1 -0.955 66.6-143.6-146.6 164.8 113.1 108.3 87.6 167 235 A G - 0 0 77 -2,-0.3 3,-0.1 0, 0.0 -2,-0.0 -0.862 37.6-149.9-125.5 87.1 112.7 104.6 86.9 168 236 A L - 0 0 35 -2,-0.5 7,-0.1 1,-0.1 6,-0.0 -0.306 25.6 -94.6 -62.3 141.6 108.9 104.3 86.9 169 237 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.004 32.8-112.5 -52.0 163.1 107.5 100.9 88.0 170 238 A T S S+ 0 0 108 -3,-0.1 57,-2.6 4,-0.1 58,-0.5 0.569 94.9 63.5 -78.5 -10.8 106.6 98.3 85.4 171 239 A T B > S-J 226 0D 41 55,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.957 75.8-134.8-121.8 137.9 102.9 98.4 85.9 172 240 A H H > S+ 0 0 18 53,-2.7 4,-2.3 -2,-0.4 5,-0.2 0.908 110.3 51.6 -47.8 -49.7 100.5 101.3 85.4 173 241 A Y H > S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.885 108.0 51.6 -58.0 -39.6 98.8 100.5 88.8 174 242 A A H > S+ 0 0 30 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.889 109.3 52.6 -63.3 -37.5 102.2 100.5 90.5 175 243 A R H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.893 107.0 49.9 -65.9 -41.4 102.8 103.9 88.8 176 244 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.910 109.6 52.2 -64.3 -40.4 99.5 105.3 90.2 177 245 A Q H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.848 109.0 50.6 -63.1 -34.8 100.5 104.1 93.7 178 246 A W H X S+ 0 0 55 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.922 107.5 52.8 -68.4 -43.7 103.8 105.9 93.3 179 247 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 -2,-0.2 0.813 108.4 52.3 -60.7 -30.7 102.1 109.1 92.3 180 248 A K H ><5S+ 0 0 74 -4,-1.6 3,-2.4 3,-0.2 -2,-0.2 0.978 108.2 49.3 -66.8 -56.2 99.9 108.8 95.4 181 249 A S H 3<5S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.776 105.8 55.7 -53.6 -36.3 102.9 108.4 97.7 182 250 A I T 3<5S- 0 0 1 -4,-2.0 -89,-2.0 -5,-0.1 -1,-0.3 0.360 130.3 -94.3 -83.1 8.6 104.7 111.4 96.2 183 251 A G T < 5S+ 0 0 32 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.467 79.6 134.4 99.0 2.6 101.6 113.4 97.0 184 252 A I < - 0 0 6 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.665 54.4-116.9 -90.8 142.1 99.5 113.4 93.9 185 253 A P + 0 0 25 0, 0.0 -28,-3.2 0, 0.0 2,-0.3 -0.577 36.4 170.9 -77.3 131.1 95.7 112.7 94.0 186 254 A V B -i 157 0C 16 -2,-0.3 -28,-0.1 -30,-0.2 -30,-0.1 -0.999 42.2 -92.4-140.6 142.2 94.4 109.7 92.3 187 255 A N > - 0 0 6 -30,-0.5 3,-0.9 -2,-0.3 -31,-0.0 -0.249 25.8-148.4 -55.9 131.1 90.9 108.1 92.4 188 256 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -142,-0.0 0.502 88.1 76.2 -79.0 -4.9 90.5 105.4 95.1 189 257 A E T 3 + 0 0 33 -142,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.518 66.3 119.0 -83.7 -5.6 88.0 103.4 93.0 190 258 A I < + 0 0 9 -3,-0.9 2,-0.3 -144,-0.1 -144,-0.2 -0.453 40.7 171.6 -64.3 125.8 90.8 102.1 90.8 191 259 A R E -B 45 0B 129 -146,-2.6 -146,-3.0 -2,-0.2 2,-0.4 -0.860 31.5-112.7-132.3 165.2 91.0 98.3 91.0 192 260 A L E -B 44 0B 71 -2,-0.3 2,-0.4 -148,-0.2 -148,-0.2 -0.822 31.7-166.6-102.8 141.8 92.9 95.6 89.2 193 261 A C E -B 43 0B 7 -150,-2.7 -150,-3.0 -2,-0.4 2,-0.6 -0.982 16.4-152.6-134.8 143.8 91.1 93.0 87.1 194 262 A N E > -B 42 0B 70 -2,-0.4 4,-0.6 -152,-0.2 -152,-0.2 -0.946 68.1 -12.2-113.0 116.0 91.9 89.7 85.4 195 263 A G H >> S- 0 0 19 -154,-2.3 4,-1.5 -155,-0.7 3,-1.4 0.552 86.9 -77.3 71.1 140.6 90.0 88.9 82.3 196 264 A A H 3> S+ 0 0 16 1,-0.3 4,-3.5 2,-0.2 3,-0.5 0.813 125.4 59.4 -30.6 -64.3 86.9 90.5 80.8 197 265 A D H 3> S+ 0 0 127 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.862 109.4 44.8 -36.7 -52.2 84.4 88.9 83.2 198 266 A E H < S+ 0 0 2 -4,-3.0 3,-1.3 -5,-0.2 -1,-0.2 0.964 110.5 54.4 -66.2 -49.4 81.1 101.7 89.0 207 275 A Q H >< S+ 0 0 71 -4,-2.4 3,-1.3 -5,-0.3 2,-0.4 0.855 99.6 64.0 -51.6 -34.9 78.1 102.3 86.9 208 276 A N T 3< S+ 0 0 100 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.024 116.3 28.7 -80.0 33.7 76.0 101.6 89.9 209 277 A K T <> S+ 0 0 47 -3,-1.3 4,-0.8 -2,-0.4 -1,-0.3 0.158 73.4 131.1-179.9 30.4 77.6 104.6 91.6 210 278 A R T <4 S+ 0 0 123 -3,-1.3 7,-2.3 1,-0.2 -3,-0.1 0.622 96.8 14.9 -69.3 -15.2 78.4 107.0 88.7 211 279 A S T >4 S+ 0 0 66 5,-0.2 3,-1.1 -4,-0.2 -1,-0.2 0.454 111.8 79.5-132.5 -16.9 76.7 109.8 90.6 212 280 A S T 34 S+ 0 0 88 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 0.679 81.1 68.4 -70.2 -20.0 76.4 108.3 94.1 213 281 A L T 3< S- 0 0 52 -4,-0.8 -1,-0.2 2,-0.4 3,-0.1 0.523 120.0 -97.7 -79.6 -5.7 80.1 109.1 95.0 214 282 A G S < S+ 0 0 30 -3,-1.1 -103,-2.8 1,-0.3 -102,-0.5 0.426 99.4 56.5 104.6 0.2 79.6 112.8 95.1 215 283 A Y S S- 0 0 28 -105,-0.3 2,-0.4 -104,-0.1 -2,-0.4 -0.957 90.5 -84.8-154.5 165.1 80.8 113.6 91.6 216 284 A D - 0 0 31 -107,-0.4 -166,-2.4 -2,-0.3 2,-0.6 -0.646 29.6-164.4 -85.2 128.2 80.1 112.5 88.0 217 285 A I E -C 49 0B 6 -7,-2.3 -168,-0.2 -2,-0.4 -8,-0.1 -0.943 5.2-164.9-114.7 115.5 81.6 109.4 86.4 218 286 A D E - 0 0 78 -170,-1.7 2,-0.2 -2,-0.6 -169,-0.2 0.872 61.1 -69.8 -61.4 -44.8 81.4 109.3 82.6 219 287 A G E -C 48 0B 23 -171,-1.1 -171,-2.4 -9,-0.0 2,-0.3 -0.777 65.0 -64.6-178.7-136.5 82.2 105.6 82.4 220 288 A T E -C 47 0B 24 -173,-0.3 2,-0.5 -2,-0.2 -17,-0.0 -0.989 29.6-143.3-145.7 132.5 85.4 103.5 83.0 221 289 A V E -C 46 0B 20 -175,-2.0 -175,-2.0 -2,-0.3 2,-0.5 -0.835 17.4-158.2 -96.8 130.6 88.7 103.5 81.2 222 290 A L E +C 45 0B 35 -2,-0.5 2,-0.3 -177,-0.2 -177,-0.2 -0.941 14.8 176.9-111.9 127.4 90.3 100.0 81.0 223 291 A K E -C 44 0B 46 -179,-2.0 -179,-2.7 -2,-0.5 2,-0.4 -0.941 37.6-107.6-130.2 150.2 94.0 99.8 80.5 224 292 A I E -C 43 0B 12 -2,-0.3 -181,-0.3 -181,-0.3 -52,-0.2 -0.662 30.1-148.3 -74.6 127.9 96.4 96.9 80.3 225 293 A N S S+ 0 0 10 -183,-2.8 -53,-2.7 -2,-0.4 2,-0.5 0.900 73.9 84.6 -65.7 -43.7 98.3 97.0 83.5 226 294 A D B > -J 171 0D 59 -184,-0.5 4,-1.7 -55,-0.2 -55,-0.2 -0.483 64.2-158.3 -68.5 114.2 101.7 95.7 82.2 227 295 A I H > S+ 0 0 15 -57,-2.6 4,-2.3 -2,-0.5 5,-0.2 0.852 91.1 58.0 -59.4 -38.4 103.6 98.6 80.7 228 296 A A H > S+ 0 0 58 -58,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.949 106.5 48.2 -58.5 -49.0 105.8 96.2 78.6 229 297 A L H > S+ 0 0 26 1,-0.2 4,-4.3 2,-0.2 -1,-0.2 0.859 107.8 57.0 -57.8 -38.3 102.6 94.9 77.0 230 298 A Q H X S+ 0 0 62 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.954 107.0 46.6 -58.2 -51.7 101.5 98.4 76.4 231 299 A N H < S+ 0 0 108 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.946 116.7 46.1 -55.5 -48.8 104.7 99.2 74.5 232 300 A E H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.966 108.7 54.1 -58.0 -57.1 104.2 96.0 72.5 233 301 A L H < S- 0 0 37 -4,-4.3 -1,-0.2 1,-0.1 -2,-0.2 0.746 97.2-168.8 -51.2 -29.3 100.5 96.6 71.9 234 302 A G < - 0 0 38 -4,-1.8 2,-0.4 -3,-0.4 -1,-0.1 -0.247 20.3 -55.7 80.1-161.6 101.3 100.0 70.3 235 303 A F - 0 0 149 -4,-0.1 2,-3.2 -2,-0.0 -1,-0.1 -0.979 30.4-133.5-134.0 122.9 99.2 103.0 69.3 236 304 A I - 0 0 130 -2,-0.4 -2,-0.1 2,-0.0 0, 0.0 -0.308 46.1-167.6 -71.8 63.9 96.3 103.1 66.8 237 305 A S - 0 0 99 -2,-3.2 2,-0.2 1,-0.0 -1,-0.0 0.224 17.6-174.7 -47.3 167.1 97.7 106.1 65.1 238 306 A K + 0 0 180 1,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.784 48.9 36.2-172.7 128.5 96.1 108.5 62.6 239 307 A A S S- 0 0 93 -2,-0.2 -1,-0.4 5,-0.0 2,-0.1 0.516 72.1-117.1 94.3 124.9 97.5 111.4 60.5 240 308 A P - 0 0 64 0, 0.0 3,-0.2 0, 0.0 0, 0.0 -0.474 1.9-143.2 -86.6 160.7 101.0 111.5 59.0 241 309 A R S S+ 0 0 246 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.653 97.8 64.9 -92.8 -19.6 103.7 114.0 59.9 242 310 A W S S+ 0 0 227 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.505 104.8 44.0 -81.0 -4.4 105.0 114.1 56.3 243 311 A A - 0 0 52 -3,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.866 55.9-179.4-137.1 170.7 101.8 115.7 55.0 244 312 A I - 0 0 161 -2,-0.3 2,-0.7 2,-0.0 -3,-0.0 -0.960 27.9-121.0-166.9 149.7 99.2 118.3 55.6 245 313 A A - 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