==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 17-JAN-12 4DCE . COMPND 2 MOLECULE: ALK TYROSINE KINASE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,L.F.EPSTEIN,H.CHEN . 572 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 4 0.7 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 . 33 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 1 1 1 2 2 0 1 1 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 1 2 3 3 3 3 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 . 2 0 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 1093 A N 0 0 130 0, 0.0 2,-0.3 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 101.4 -2.7 17.4 65.3 2 1094 A P - 0 0 37 0, 0.0 11,-0.4 0, 0.0 2,-0.3 -0.740 360.0-129.1 -90.7 147.8 -4.7 14.8 63.2 3 1095 A N - 0 0 100 -2,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.668 14.7-150.1 -94.6 150.6 -3.5 11.2 62.9 4 1096 A Y E -A 11 0A 30 7,-3.0 7,-2.5 -2,-0.3 2,-0.5 -0.982 2.9-152.1-126.7 136.3 -3.1 9.2 59.7 5 1097 A S E +A 10 0A 83 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.905 22.3 159.9-113.4 122.6 -3.4 5.5 59.2 6 1098 A F E > S-A 9 0A 16 3,-2.6 3,-1.5 -2,-0.5 140,-0.1 -0.960 73.1 -7.9-146.4 123.9 -1.6 3.5 56.5 7 1099 A A T 3 S- 0 0 68 138,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.877 128.1 -59.1 55.6 40.5 -0.9 -0.2 56.3 8 1100 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.417 114.7 115.6 72.7 0.2 -2.3 -0.4 59.9 9 1101 A K E < -A 6 0A 127 -3,-1.5 -3,-2.6 2,-0.0 2,-0.4 -0.861 55.1-147.9-103.5 134.0 0.3 2.0 61.2 10 1102 A T E +A 5 0A 73 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.860 19.4 176.4-104.3 134.4 -0.7 5.3 62.6 11 1103 A S E -A 4 0A 5 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.2 -0.948 6.9-168.0-134.2 153.6 1.5 8.4 62.3 12 1104 A S >> - 0 0 15 -2,-0.3 3,-2.4 -9,-0.2 4,-0.6 -0.771 47.5 -77.8-131.9 177.9 1.2 12.1 63.3 13 1105 A I G >4 S+ 0 0 70 -11,-0.4 3,-1.1 1,-0.3 -10,-0.1 0.817 125.1 60.6 -43.7 -38.9 2.9 15.4 62.7 14 1106 A S G 34 S+ 0 0 95 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.617 95.8 59.5 -72.1 -14.8 5.6 14.4 65.3 15 1107 A D G <4 S+ 0 0 88 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.608 82.0 105.2 -87.9 -13.3 6.7 11.3 63.3 16 1108 A L S << S- 0 0 21 -3,-1.1 2,-1.1 -4,-0.6 55,-0.1 -0.376 83.7-109.8 -66.0 144.3 7.7 13.4 60.2 17 1109 A K - 0 0 156 -2,-0.1 70,-2.5 71,-0.0 2,-0.4 -0.669 33.7-151.5 -82.4 99.5 11.4 13.9 59.7 18 1110 A E B -b 87 0B 63 -2,-1.1 70,-0.2 68,-0.2 -1,-0.0 -0.577 5.1-156.9 -74.2 124.6 12.0 17.6 60.5 19 1111 A V - 0 0 18 68,-3.3 5,-0.1 -2,-0.4 67,-0.0 -0.911 28.3-108.9-101.8 125.4 15.0 19.1 58.6 20 1112 A P > - 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.325 24.0-130.0 -54.8 131.1 16.6 22.2 60.2 21 1113 A R G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 67,-0.0 0.823 105.1 61.9 -53.9 -38.1 15.7 25.2 58.1 22 1114 A K G 3 S+ 0 0 184 1,-0.3 -1,-0.3 19,-0.0 20,-0.0 0.697 98.1 58.4 -63.5 -21.1 19.4 26.4 57.9 23 1115 A N G < S+ 0 0 55 -3,-1.9 19,-2.8 19,-0.1 2,-0.5 0.639 94.0 82.2 -80.0 -15.9 20.3 23.1 56.1 24 1116 A I E < -C 41 0B 16 -3,-1.5 2,-0.4 -4,-0.5 17,-0.2 -0.793 55.3-178.9 -99.5 128.6 17.9 23.9 53.3 25 1117 A T E -C 40 0B 75 15,-2.3 15,-2.0 -2,-0.5 2,-0.4 -0.994 19.7-139.8-127.3 129.4 18.8 26.2 50.4 26 1118 A L E +C 39 0B 29 -2,-0.4 13,-0.3 13,-0.2 3,-0.1 -0.712 20.3 177.0 -85.7 134.6 16.4 27.1 47.5 27 1119 A I E - 0 0 55 11,-3.3 2,-0.3 1,-0.4 12,-0.2 0.850 57.1 -21.9-106.8 -51.6 18.1 27.2 44.1 28 1120 A R E -C 38 0B 106 10,-1.2 10,-3.4 0, 0.0 -1,-0.4 -0.985 65.5 -93.8-157.9 159.2 15.4 28.0 41.4 29 1121 A G E +C 37 0B 48 -2,-0.3 8,-0.3 8,-0.3 3,-0.1 -0.378 29.2 175.7 -70.8 153.2 11.6 27.8 40.8 30 1122 A L E - 0 0 100 6,-2.8 2,-0.3 1,-0.5 7,-0.2 0.616 56.7 -52.2-121.9 -49.6 10.0 24.8 39.1 31 1123 A G E C 36 0B 35 5,-1.2 5,-3.1 0, 0.0 -1,-0.5 -0.914 360.0 360.0-168.7-167.1 6.2 25.5 39.2 32 1124 A H 0 0 200 3,-0.3 3,-0.3 -2,-0.3 20,-0.0 -0.934 360.0 360.0-159.7 360.0 3.2 26.3 41.3 33 ! 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 34 1128 A G 0 0 61 0, 0.0 2,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 101.0 1.7 26.5 46.6 35 1129 A E - 0 0 57 -3,-0.3 18,-2.5 18,-0.1 2,-0.4 -0.650 360.0-143.3 -98.8 153.4 5.0 26.9 44.7 36 1130 A V E -CD 31 52B 41 -5,-3.1 -6,-2.8 -2,-0.2 -5,-1.2 -0.946 17.5-175.1-119.7 138.2 7.7 24.4 44.0 37 1131 A Y E -CD 29 51B 5 14,-2.2 14,-2.9 -2,-0.4 2,-0.5 -0.881 30.7-116.7-124.9 155.3 11.5 24.9 44.0 38 1132 A E E +CD 28 50B 29 -10,-3.4 -11,-3.3 -2,-0.3 -10,-1.2 -0.830 52.0 164.6 -81.4 134.2 14.7 23.0 43.2 39 1133 A G E -CD 26 49B 0 10,-3.3 10,-2.5 -2,-0.5 2,-0.3 -0.800 30.8-137.1-138.8 178.2 16.6 22.9 46.5 40 1134 A Q E -CD 25 48B 60 -15,-2.0 -15,-2.3 8,-0.3 2,-0.5 -0.992 9.6-144.2-143.0 147.6 19.4 21.2 48.3 41 1135 A V E CD 24 47B 23 6,-3.1 6,-2.5 -2,-0.3 -17,-0.2 -0.957 360.0 360.0-114.0 121.4 19.8 19.9 51.8 42 1136 A S 0 0 81 -19,-2.8 -19,-0.1 -2,-0.5 -18,-0.0 -0.120 360.0 360.0-117.0 360.0 23.2 20.2 53.5 43 ! 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 44 1142 A P 0 0 166 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.9 30.6 18.4 50.0 45 1143 A S - 0 0 110 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.633 360.0-176.3-130.4 74.9 27.8 16.1 48.6 46 1144 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -4,-0.2 -0.180 29.5-112.4 -65.8 163.5 24.5 17.9 49.4 47 1145 A L E -D 41 0B 91 -6,-2.5 -6,-3.1 0, 0.0 2,-0.4 -0.901 26.1-143.7 -99.1 117.2 21.2 16.2 48.6 48 1146 A Q E +D 40 0B 110 -2,-0.6 52,-0.6 -8,-0.3 -8,-0.3 -0.677 32.8 163.0 -81.9 136.3 19.3 17.9 45.8 49 1147 A V E -DE 39 99B 0 -10,-2.5 -10,-3.3 -2,-0.4 2,-0.4 -0.817 40.8-105.4-141.6 171.5 15.6 18.0 46.4 50 1148 A A E -DE 38 98B 8 48,-2.8 48,-3.2 -2,-0.2 2,-0.6 -0.931 31.4-150.3-105.6 138.6 12.3 19.5 45.4 51 1149 A V E -DE 37 97B 0 -14,-2.9 -14,-2.2 -2,-0.4 2,-0.5 -0.935 7.5-165.9-117.1 112.0 10.8 22.0 47.9 52 1150 A K E -DE 36 96B 45 44,-2.7 44,-2.2 -2,-0.6 2,-0.3 -0.865 17.4-156.6 -96.7 125.6 7.0 22.4 48.1 53 1151 A T E - E 0 95B 2 -18,-2.5 42,-0.2 -2,-0.5 -18,-0.1 -0.736 14.3-138.6-107.2 150.7 6.0 25.4 50.0 54 1152 A L - 0 0 9 40,-2.2 40,-0.4 -2,-0.3 4,-0.1 -0.936 34.9-112.6-101.1 124.6 2.8 26.4 51.9 55 1153 A P - 0 0 51 0, 0.0 39,-0.1 0, 0.0 3,-0.0 -0.314 17.3-135.7 -53.5 135.5 1.9 30.1 51.4 56 1154 A E S S+ 0 0 47 1,-0.2 2,-0.9 37,-0.1 455,-0.0 0.859 100.5 55.3 -64.1 -38.3 2.3 32.1 54.7 57 1155 A V S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.855 85.2 126.9 -95.6 98.7 -1.1 33.8 54.1 58 1156 A C - 0 0 39 -2,-0.9 -4,-0.0 -4,-0.1 2,-0.0 -0.939 59.5 -91.8-146.6 164.4 -3.4 30.8 53.7 59 1157 A S > - 0 0 60 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.224 37.1-110.6 -72.2 168.1 -6.7 29.4 55.2 60 1158 A E H > S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.872 122.0 54.2 -65.4 -38.5 -6.8 27.0 58.1 61 1159 A Q H > S+ 0 0 112 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.878 104.1 55.1 -62.0 -40.1 -8.0 24.3 55.7 62 1160 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 108.1 48.9 -57.9 -46.6 -4.9 25.0 53.5 63 1161 A E H X S+ 0 0 65 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.934 113.9 46.1 -56.1 -50.2 -2.7 24.4 56.6 64 1162 A L H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.870 111.9 49.8 -63.9 -42.8 -4.5 21.1 57.4 65 1163 A D H X S+ 0 0 86 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.898 111.0 51.2 -61.2 -43.0 -4.4 19.8 53.8 66 1164 A F H X S+ 0 0 15 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.904 112.8 44.3 -62.1 -45.8 -0.6 20.6 53.6 67 1165 A L H X S+ 0 0 22 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.900 113.2 50.7 -66.9 -42.8 0.1 18.7 56.8 68 1166 A M H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 107.8 53.5 -62.6 -45.0 -2.1 15.7 55.9 69 1167 A E H X S+ 0 0 31 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.933 107.1 51.7 -51.7 -50.9 -0.4 15.5 52.5 70 1168 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.852 109.8 49.6 -56.1 -39.8 3.0 15.3 54.2 71 1169 A L H X S+ 0 0 2 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.931 113.0 46.9 -65.8 -45.5 1.8 12.4 56.4 72 1170 A I H >X S+ 0 0 26 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.944 115.6 42.4 -62.0 -53.6 0.4 10.5 53.5 73 1171 A I H >< S+ 0 0 20 -4,-2.8 3,-0.9 1,-0.2 11,-0.3 0.873 107.7 60.7 -64.4 -40.1 3.4 10.8 51.2 74 1172 A S H 3< S+ 0 0 37 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.797 104.3 50.5 -59.3 -29.9 6.0 10.1 53.9 75 1173 A K H << S+ 0 0 74 -4,-1.0 -1,-0.2 -3,-0.6 2,-0.2 0.628 86.1 99.6 -88.0 -15.8 4.5 6.7 54.6 76 1174 A F << - 0 0 18 -3,-0.9 2,-0.3 -4,-0.7 8,-0.3 -0.539 51.2-176.0 -64.9 134.7 4.6 5.6 50.9 77 1175 A N + 0 0 106 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.701 31.0 114.0-139.0 84.4 7.6 3.4 50.4 78 1176 A H > - 0 0 22 3,-0.4 3,-1.7 -2,-0.3 60,-0.1 -0.979 64.8-125.3-157.5 141.2 8.0 2.4 46.7 79 1177 A Q T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 59,-0.1 0.622 110.8 50.0 -60.8 -19.7 10.5 3.0 43.8 80 1178 A N T 3 S+ 0 0 9 57,-0.1 90,-2.5 89,-0.1 2,-0.4 -0.013 98.9 74.5-109.9 28.5 7.7 4.3 41.5 81 1179 A I B < S-g 170 0C 8 -3,-1.7 -3,-0.4 88,-0.3 90,-0.2 -0.983 93.6-107.9-137.9 122.8 6.3 6.8 43.9 82 1180 A V - 0 0 8 88,-2.1 -6,-0.1 -2,-0.4 2,-0.1 -0.271 39.4-118.9 -61.4 135.1 8.2 10.0 44.6 83 1181 A R - 0 0 90 -4,-0.1 16,-2.7 17,-0.0 2,-0.6 -0.358 5.7-137.8 -73.6 146.7 9.9 10.1 48.0 84 1182 A C E - F 0 98B 25 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.957 16.9-171.6 -96.7 119.1 9.3 12.6 50.8 85 1183 A I E - 0 0 52 12,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.843 56.2 -67.7 -76.8 -37.2 12.8 13.3 52.2 86 1184 A G E - F 0 97B 2 11,-1.2 11,-3.1 -3,-0.1 -1,-0.3 -0.964 48.6-102.9 167.4-171.7 11.5 15.3 55.1 87 1185 A V E -bF 18 96B 1 -70,-2.5 -68,-3.3 -2,-0.3 9,-0.2 -0.891 2.0-151.9-136.3 164.4 9.7 18.5 56.1 88 1186 A S E + F 0 95B 0 7,-2.2 7,-2.2 -2,-0.3 3,-0.3 -0.702 38.3 145.1-137.1 86.0 10.5 21.9 57.6 89 1187 A L + 0 0 18 5,-0.2 5,-0.1 -2,-0.2 -1,-0.1 0.532 57.8 72.6 -99.3 -11.1 7.3 22.9 59.4 90 1188 A Q S S+ 0 0 160 -3,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.360 97.0 53.9 -90.9 3.2 8.8 24.8 62.3 91 1189 A S S S- 0 0 46 -3,-0.3 4,-0.2 2,-0.1 -3,-0.1 -0.953 95.5 -80.1-132.3 156.3 9.8 27.7 60.1 92 1190 A L S S+ 0 0 58 -2,-0.3 420,-0.4 2,-0.1 2,-0.1 -0.884 110.0 34.4-110.9 136.7 7.8 29.9 57.7 93 1191 A P S S- 0 0 18 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.569 97.7-128.4 -73.8 153.8 6.9 29.3 55.0 94 1192 A R - 0 0 63 -40,-0.4 -40,-2.2 -2,-0.1 2,-0.3 -0.455 25.4-154.5 -72.0 140.2 6.5 25.6 55.7 95 1193 A F E -EF 53 88B 9 -7,-2.2 -7,-2.2 -42,-0.2 2,-0.4 -0.865 17.4-160.3-113.7 148.6 8.3 23.2 53.4 96 1194 A I E -EF 52 87B 1 -44,-2.2 -44,-2.7 -2,-0.3 2,-0.5 -0.998 23.5-143.6-117.1 130.9 7.7 19.6 52.3 97 1195 A L E -EF 51 86B 0 -11,-3.1 -12,-2.5 -2,-0.4 -11,-1.2 -0.852 23.4-177.5-102.7 124.7 10.9 18.1 50.8 98 1196 A L E -EF 50 84B 26 -48,-3.2 -48,-2.8 -2,-0.5 -14,-0.2 -0.818 37.9 -87.2-121.9 154.3 10.5 15.7 47.9 99 1197 A E E -E 49 0B 42 -16,-2.7 2,-0.4 -2,-0.3 -50,-0.2 -0.441 54.7-116.3 -52.3 121.0 12.6 13.5 45.6 100 1198 A L - 0 0 28 -52,-0.6 2,-0.8 -2,-0.2 -1,-0.1 -0.567 24.5-160.5 -72.0 122.3 13.7 15.8 42.8 101 1199 A M > - 0 0 16 -2,-0.4 3,-1.5 1,-0.1 58,-0.2 -0.855 8.3-176.1-108.0 96.5 12.3 14.6 39.5 102 1200 A A T 3 S+ 0 0 64 58,-1.7 59,-0.3 -2,-0.8 58,-0.2 0.640 75.8 64.6 -74.8 -15.4 14.5 16.4 37.0 103 1201 A G T 3 S- 0 0 15 56,-2.5 -1,-0.3 1,-0.2 57,-0.2 0.484 96.0-145.2 -83.9 -4.8 12.5 15.1 33.9 104 1202 A G E < -H 159 0C 33 -3,-1.5 55,-2.5 55,-0.5 -1,-0.2 -0.233 45.7 -18.2 72.4-163.3 9.4 17.1 35.0 105 1203 A D E > -H 158 0C 44 53,-0.2 4,-2.1 1,-0.1 53,-0.3 -0.481 58.4-124.7 -80.3 150.6 5.8 15.9 34.4 106 1204 A L H > S+ 0 0 0 51,-2.7 4,-2.6 48,-0.8 49,-0.2 0.838 106.6 55.7 -62.6 -38.7 5.0 13.1 32.0 107 1205 A K H > S+ 0 0 37 47,-0.9 4,-2.1 50,-0.3 -1,-0.2 0.952 110.9 43.3 -62.5 -51.8 2.4 15.1 30.0 108 1206 A S H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 113.8 53.8 -57.7 -43.3 4.8 18.0 29.2 109 1207 A F H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 108.6 46.9 -57.4 -52.5 7.6 15.4 28.4 110 1208 A L H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.900 114.4 48.0 -58.5 -44.3 5.5 13.6 25.9 111 1209 A R H >< S+ 0 0 107 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.886 116.2 42.7 -63.7 -42.7 4.4 16.8 24.2 112 1210 A E H 3< S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.772 116.2 48.0 -74.0 -28.5 7.9 18.2 24.0 113 1211 A T T 3< S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.175 76.8 138.4-106.1 15.7 9.5 14.9 22.9 114 1212 A R < - 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0 0 73 -3,-2.0 2,-0.1 -4,-0.2 0, 0.0 -0.834 58.6-143.8-114.3 139.2 10.6 37.2 61.6 511 1334 B S > - 0 0 13 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.409 41.2 -96.1 -82.7 169.4 9.7 35.3 58.5 512 1335 B N H > S+ 0 0 36 -420,-0.4 4,-2.6 1,-0.2 5,-0.1 0.886 125.8 45.6 -55.2 -44.9 9.4 37.0 55.1 513 1336 B Q H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 111.3 52.6 -69.1 -38.5 5.7 37.6 55.3 514 1337 B E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.875 111.2 47.8 -61.7 -37.7 6.0 38.9 58.9 515 1338 B V H X S+ 0 0 1 -4,-2.3 4,-3.5 2,-0.2 5,-0.4 0.945 109.1 53.6 -68.0 -49.8 8.6 41.3 57.7 516 1339 B L H X S+ 0 0 46 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.945 114.7 40.6 -44.5 -57.4 6.4 42.4 54.8 517 1340 B E H X S+ 0 0 112 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.867 116.2 50.7 -65.8 -37.7 3.6 43.1 57.2 518 1341 B F H ><>S+ 0 0 59 -4,-2.4 5,-2.8 2,-0.2 3,-0.5 0.959 115.4 40.7 -61.2 -56.2 5.9 44.7 59.8 519 1342 B V H ><5S+ 0 0 2 -4,-3.5 3,-1.8 1,-0.2 -2,-0.2 0.916 113.8 53.9 -59.5 -47.3 7.6 47.0 57.3 520 1343 B T H 3<5S+ 0 0 57 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.713 107.1 52.9 -60.2 -24.6 4.3 47.8 55.5 521 1344 B S T <<5S- 0 0 93 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.399 128.8 -94.8 -93.4 1.9 2.8 48.8 58.9 522 1345 B G T < 5S+ 0 0 50 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.454 74.4 150.4 96.0 4.2 5.7 51.3 59.6 523 1346 B G < - 0 0 12 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.3 -0.471 20.1-178.1 -68.0 136.8 7.8 48.9 61.7 524 1347 B R - 0 0 53 -2,-0.2 2,-0.1 0, 0.0 16,-0.0 -0.929 32.4 -93.1-130.1 158.5 11.6 49.4 61.6 525 1348 B M - 0 0 10 -2,-0.3 -28,-0.0 1,-0.1 15,-0.0 -0.413 40.3-115.6 -68.7 144.7 14.5 47.5 63.2 526 1349 B D - 0 0 132 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.309 47.8 -78.9 -66.0 160.3 15.8 48.6 66.6 527 1350 B P - 0 0 63 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.356 53.7-107.3 -54.4 142.6 19.4 49.9 66.7 528 1351 B P > - 0 0 7 0, 0.0 3,-2.1 0, 0.0 -27,-0.1 -0.300 58.4 -64.9 -63.6 162.4 22.0 47.1 66.7 529 1352 B K T 3 S- 0 0 158 1,-0.3 0, 0.0 -28,-0.1 0, 0.0 -0.279 121.1 -3.7 -54.6 129.1 23.7 46.5 70.1 530 1353 B N T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 -29,-0.0 0.486 89.6 164.1 65.5 7.8 25.9 49.6 71.1 531 1354 B C < - 0 0 19 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.350 40.4-118.2 -62.1 125.2 25.1 51.4 67.8 532 1355 B P >> - 0 0 13 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.398 19.9-121.2 -61.0 140.7 25.9 55.1 68.0 533 1356 B G H 3> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 110.4 55.7 -48.3 -53.9 22.9 57.4 67.5 534 1357 B P H 3> S+ 0 0 44 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.825 109.8 47.4 -48.3 -40.4 24.3 59.2 64.5 535 1358 B V H X> S+ 0 0 1 -3,-0.7 4,-1.4 2,-0.2 3,-0.6 0.928 110.9 49.6 -70.4 -47.0 24.8 55.8 62.7 536 1359 B Y H 3X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.865 103.9 61.3 -60.0 -36.8 21.3 54.6 63.4 537 1360 B R H 3X S+ 0 0 157 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.839 99.3 55.2 -61.7 -34.7 19.8 57.9 62.2 538 1361 B I H < S+ 0 0 66 -4,-1.6 3,-1.2 -3,-0.2 -1,-0.2 0.880 108.5 51.6 -72.5 -40.0 16.6 58.0 56.9 542 1365 B C H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.792 107.9 55.3 -60.2 -31.5 17.3 55.1 54.4 543 1366 B W T 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.027 72.8 141.8 -96.3 24.9 14.1 53.5 55.6 544 1367 B Q < - 0 0 64 -3,-1.2 6,-0.1 1,-0.1 -3,-0.1 -0.474 55.4-131.4 -62.4 136.4 11.7 56.4 54.9 545 1368 B H S S+ 0 0 85 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.882 93.2 63.9 -59.7 -41.1 8.4 55.0 53.6 546 1369 B Q S >> S- 0 0 90 1,-0.1 3,-1.8 -71,-0.1 4,-0.7 -0.778 79.2-143.3 -90.9 123.0 8.4 57.5 50.7 547 1370 B P G >4 S+ 0 0 25 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.848 100.5 59.7 -50.7 -40.4 11.3 57.0 48.2 548 1371 B E G 34 S+ 0 0 128 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.751 101.3 55.0 -61.0 -27.2 11.5 60.8 47.7 549 1372 B D G <4 S+ 0 0 92 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.1 0.621 89.3 95.0 -82.3 -15.1 12.2 61.2 51.4 550 1373 B R S << S- 0 0 3 -3,-1.3 -8,-0.2 -4,-0.7 2,-0.1 -0.546 82.1-111.8 -75.6 141.1 15.2 58.8 51.3 551 1374 B P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.395 22.9-123.1 -70.9 148.8 18.6 60.3 50.9 552 1375 B N > - 0 0 64 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.235 37.9 -95.8 -72.9 176.5 20.7 59.9 47.7 553 1376 B F H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -124,-0.2 0.734 122.2 60.2 -76.6 -19.2 24.2 58.4 48.1 554 1377 B A H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.850 109.2 44.5 -68.3 -37.2 26.0 61.8 48.2 555 1378 B I H > S+ 0 0 55 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.4 51.8 -72.0 -44.7 24.0 62.6 51.3 556 1379 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.930 110.1 49.5 -55.6 -47.0 24.6 59.1 52.7 557 1380 B L H X S+ 0 0 28 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 109.9 50.6 -59.5 -42.6 28.4 59.6 52.2 558 1381 B E H X S+ 0 0 128 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.882 111.7 48.4 -60.6 -41.7 28.3 63.0 53.9 559 1382 B R H X S+ 0 0 95 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.882 111.8 47.8 -69.1 -40.4 26.5 61.5 56.9 560 1383 B I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 110.5 54.2 -63.0 -43.3 28.9 58.5 57.1 561 1384 B E H X S+ 0 0 98 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.907 106.8 50.3 -55.5 -46.6 31.8 61.1 56.9 562 1385 B Y H X S+ 0 0 198 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.850 108.8 52.8 -60.9 -37.7 30.4 63.1 59.8 563 1386 B C H < S+ 0 0 5 -4,-1.6 3,-0.4 1,-0.2 7,-0.4 0.898 106.0 53.5 -63.9 -41.5 30.1 59.8 61.8 564 1387 B T H < S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.720 110.5 47.1 -67.0 -24.2 33.8 59.1 61.2 565 1388 B Q H < S+ 0 0 133 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.670 89.0 94.2 -93.6 -16.0 34.9 62.5 62.4 566 1389 B D >X - 0 0 50 -4,-1.1 4,-2.1 -3,-0.4 3,-1.0 -0.662 62.8-157.2 -77.8 109.5 32.8 62.4 65.6 567 1390 B P H 3> S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.842 91.6 60.0 -57.6 -34.9 35.1 61.1 68.4 568 1391 B D H 34 S+ 0 0 132 2,-0.2 -5,-0.1 1,-0.2 4,-0.0 0.807 109.0 44.6 -63.4 -31.3 32.0 59.9 70.5 569 1392 B V H X4 S+ 0 0 2 -3,-1.0 3,-1.5 -6,-0.2 -1,-0.2 0.959 116.6 42.4 -73.3 -54.7 31.1 57.6 67.6 570 1393 B I H 3< S+ 0 0 47 -4,-2.1 -155,-0.4 -7,-0.4 -156,-0.4 0.713 110.6 55.8 -74.1 -21.1 34.5 56.2 66.8 571 1394 B N T 3< S+ 0 0 131 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.3 0.362 79.6 115.3 -89.0 3.7 35.5 55.6 70.5 572 1395 B T < - 0 0 44 -3,-1.5 -158,-0.6 -5,-0.1 2,-0.3 -0.634 68.4-128.7 -73.2 123.6 32.4 53.5 71.1 573 1396 B A - 0 0 74 -2,-0.4 -160,-0.1 -160,-0.1 -2,-0.1 -0.557 16.5-123.1 -76.3 137.6 33.4 50.0 71.9 574 1397 B L - 0 0 18 -162,-0.3 -44,-0.1 -2,-0.3 -1,-0.1 -0.490 37.2 -97.2 -73.0 148.4 31.9 47.2 70.0 575 1398 B P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.373 34.1-122.6 -67.9 149.4 30.1 44.5 72.1 576 1399 B I - 0 0 96 -173,-0.1 2,-0.9 -3,-0.1 -171,-0.2 -0.846 16.0-130.6 -96.9 121.8 32.0 41.3 72.9 577 1400 B E - 0 0 74 -173,-3.2 2,-0.8 -2,-0.6 -1,-0.0 -0.625 24.6-154.1 -69.1 105.4 30.4 38.1 71.8 578 1401 B Y 0 0 214 -2,-0.9 -173,-0.1 -173,-0.1 -1,-0.1 -0.782 360.0 360.0 -91.0 108.0 30.6 36.0 75.1 579 1402 B G 0 0 108 -2,-0.8 -2,-0.0 0, 0.0 0, 0.0 -0.926 360.0 360.0-167.3 360.0 30.7 32.3 74.2