REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ktb_1_B DATA FIRST_RESID 173 DATA SEQUENCE STEGSSPAYL KEILEQLLEA IVVATNPSGR LISELFQKLP SKVQYPDYYA DATA SEQUENCE IIKEPIDLKT IAQRIQNGSY KSIHAMAKDI DLLAKNAKTY NEPGSQVFKD DATA SEQUENCE ANSIKKIFYM KKAEIEHHEM A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 173 S HA 0.000 4.479 4.470 0.016 0.000 0.327 173 S C 0.000 174.614 174.600 0.023 0.000 1.055 173 S CA 0.000 58.209 58.200 0.016 0.000 1.107 173 S CB 0.000 63.205 63.200 0.008 0.000 0.593 174 T N -1.748 112.824 114.554 0.031 0.000 3.449 174 T HA 0.128 4.643 4.350 0.046 -0.138 0.268 174 T C -0.418 174.310 174.700 0.045 0.000 0.996 174 T CA 0.444 62.573 62.100 0.048 0.000 1.125 174 T CB 0.855 69.765 68.868 0.070 0.000 1.172 174 T HN -0.027 8.230 8.240 0.029 0.000 0.430 175 E N 0.137 120.361 120.200 0.039 0.000 3.431 175 E HA -0.372 3.992 4.350 0.022 0.000 0.294 175 E C -0.162 176.452 176.600 0.023 0.000 1.487 175 E CA 2.107 58.522 56.400 0.024 0.000 2.027 175 E CB -0.472 29.234 29.700 0.010 0.000 1.966 175 E HN -0.045 8.339 8.360 0.040 0.000 0.482 176 G N -1.769 107.029 108.800 -0.004 0.000 3.379 176 G HA2 -0.292 3.644 3.960 -0.039 0.000 0.653 176 G HA3 -0.292 3.669 3.960 0.002 0.000 0.653 176 G C -0.201 174.632 174.900 -0.111 0.000 0.872 176 G CA 0.102 45.183 45.100 -0.032 0.000 0.754 176 G HN 0.130 8.415 8.290 -0.007 0.000 0.467 177 S N 3.655 119.258 115.700 -0.162 0.000 4.158 177 S HA -0.451 3.906 4.470 -0.189 0.000 0.538 177 S C -0.708 173.800 174.600 -0.153 0.000 1.794 177 S CA 2.458 60.512 58.200 -0.244 0.000 4.172 177 S CB -0.406 62.454 63.200 -0.567 0.000 0.768 177 S HN 0.380 8.616 8.310 -0.123 0.000 0.455 178 S N 2.923 118.532 115.700 -0.152 0.000 2.478 178 S HA 0.487 4.954 4.470 -0.005 0.000 0.312 178 S C -1.760 172.884 174.600 0.074 0.000 1.094 178 S CA -2.313 55.888 58.200 0.003 0.000 1.081 178 S CB 0.880 64.126 63.200 0.078 0.000 1.007 178 S HN -0.259 7.857 8.310 -0.323 0.000 0.475 179 P HA -0.164 4.438 4.420 0.068 -0.142 0.217 179 P C 0.621 177.985 177.300 0.105 0.000 1.151 179 P CA 2.741 65.884 63.100 0.071 0.000 0.849 179 P CB 0.213 31.941 31.700 0.047 0.000 0.787 180 A N -3.833 119.054 122.820 0.113 0.000 1.874 180 A HA -0.184 4.192 4.320 0.092 0.000 0.214 180 A C 1.649 179.337 177.584 0.173 0.000 1.189 180 A CA 2.506 54.612 52.037 0.116 0.000 0.615 180 A CB -1.181 17.876 19.000 0.095 0.000 0.830 180 A HN 0.015 8.216 8.150 0.100 0.009 0.443 181 Y N 0.213 120.538 120.300 0.042 0.000 2.132 181 Y HA -0.386 4.192 4.550 0.047 0.000 0.280 181 Y C 1.160 177.097 175.900 0.061 0.000 1.193 181 Y CA 2.339 60.469 58.100 0.051 0.000 1.157 181 Y CB -0.421 38.071 38.460 0.054 0.000 0.966 181 Y HN -0.180 8.200 8.280 0.277 0.066 0.511 182 L N -2.736 118.770 121.223 0.472 0.000 2.084 182 L HA -0.364 4.182 4.340 0.344 0.000 0.202 182 L C 2.014 178.981 176.870 0.163 0.000 1.074 182 L CA 2.767 57.804 54.840 0.328 0.000 0.757 182 L CB 0.018 42.258 42.059 0.302 0.000 0.918 182 L HN -0.185 8.289 8.230 0.404 -0.002 0.444 183 K N -0.895 119.582 120.400 0.130 0.000 2.032 183 K HA -0.428 3.940 4.320 0.079 0.000 0.209 183 K C 1.821 178.453 176.600 0.053 0.000 1.048 183 K CA 2.994 59.330 56.287 0.082 0.000 0.927 183 K CB -0.712 31.829 32.500 0.068 0.000 0.712 183 K HN 0.135 8.472 8.250 0.144 0.000 0.441 184 E N -1.554 118.675 120.200 0.050 0.000 2.070 184 E HA -0.277 4.081 4.350 0.012 0.000 0.197 184 E C 2.133 178.718 176.600 -0.025 0.000 1.004 184 E CA 2.938 59.347 56.400 0.014 0.000 0.805 184 E CB -0.807 28.904 29.700 0.020 0.000 0.744 184 E HN 0.244 8.514 8.360 0.075 0.135 0.451 185 I N -0.962 119.587 120.570 -0.035 0.000 2.394 185 I HA -0.322 3.768 4.170 -0.134 0.000 0.251 185 I C 1.345 177.447 176.117 -0.024 0.000 1.136 185 I CA 2.112 63.364 61.300 -0.080 0.000 1.425 185 I CB -0.451 37.486 38.000 -0.105 0.000 1.079 185 I HN -0.845 7.268 8.210 -0.003 0.096 0.425 186 L N 0.344 121.583 121.223 0.026 0.000 1.997 186 L HA -0.427 3.956 4.340 0.072 0.000 0.216 186 L C 1.132 178.014 176.870 0.020 0.000 1.074 186 L CA 3.746 58.614 54.840 0.046 0.000 0.763 186 L CB -0.255 41.837 42.059 0.056 0.000 0.890 186 L HN 0.022 8.116 8.230 0.039 0.159 0.434 187 E N -5.070 115.131 120.200 0.001 0.000 2.170 187 E HA -0.239 4.110 4.350 -0.003 0.000 0.191 187 E C 2.542 179.117 176.600 -0.041 0.000 0.981 187 E CA 2.219 58.611 56.400 -0.013 0.000 0.830 187 E CB 0.024 29.716 29.700 -0.013 0.000 0.775 187 E HN -0.685 7.678 8.360 0.004 0.000 0.470 188 Q N -0.786 118.973 119.800 -0.068 0.000 2.008 188 Q HA -0.106 4.170 4.340 -0.107 0.000 0.196 188 Q C 2.493 178.417 176.000 -0.126 0.000 0.973 188 Q CA 2.048 57.785 55.803 -0.110 0.000 0.826 188 Q CB -0.304 28.347 28.738 -0.145 0.000 0.894 188 Q HN 0.332 8.367 8.270 -0.060 0.199 0.439 189 L N -0.312 120.816 121.223 -0.159 0.000 2.044 189 L HA -0.268 3.909 4.340 -0.272 0.000 0.205 189 L C 2.342 179.175 176.870 -0.061 0.000 1.075 189 L CA 2.806 57.517 54.840 -0.215 0.000 0.747 189 L CB -0.200 41.627 42.059 -0.386 0.000 0.903 189 L HN -0.090 7.935 8.230 -0.147 0.117 0.435 190 L N -1.953 119.266 121.223 -0.006 0.000 2.012 190 L HA -0.422 3.962 4.340 0.072 0.000 0.210 190 L C 1.762 178.644 176.870 0.021 0.000 1.073 190 L CA 3.819 58.682 54.840 0.037 0.000 0.748 190 L CB -0.818 41.267 42.059 0.042 0.000 0.891 190 L HN -0.414 7.806 8.230 -0.016 0.000 0.431 191 E N -1.104 119.093 120.200 -0.004 0.000 2.028 191 E HA -0.368 3.985 4.350 0.005 0.000 0.191 191 E C 1.949 178.543 176.600 -0.010 0.000 0.988 191 E CA 2.931 59.327 56.400 -0.007 0.000 0.799 191 E CB -0.065 29.622 29.700 -0.021 0.000 0.755 191 E HN -0.627 7.723 8.360 -0.018 0.000 0.447 192 A N -0.643 122.157 122.820 -0.032 0.000 1.903 192 A HA -0.287 4.012 4.320 -0.034 0.000 0.219 192 A C 2.673 180.255 177.584 -0.003 0.000 1.191 192 A CA 3.111 55.127 52.037 -0.034 0.000 0.638 192 A CB -0.552 18.406 19.000 -0.071 0.000 0.823 192 A HN -0.101 8.019 8.150 -0.051 0.000 0.451 193 I N -3.132 117.449 120.570 0.019 0.000 2.500 193 I HA -0.258 3.942 4.170 0.050 0.000 0.252 193 I C 1.744 177.900 176.117 0.065 0.000 1.142 193 I CA 2.827 64.160 61.300 0.055 0.000 1.451 193 I CB 0.092 38.147 38.000 0.091 0.000 1.093 193 I HN -0.507 7.702 8.210 0.012 0.008 0.430 194 V N 0.247 120.194 119.914 0.054 0.000 3.041 194 V HA -0.118 4.045 4.120 0.072 0.000 0.260 194 V C 1.065 177.178 176.094 0.031 0.000 1.105 194 V CA 2.204 64.535 62.300 0.052 0.000 1.125 194 V CB 0.000 31.851 31.823 0.047 0.000 0.730 194 V HN -0.511 7.623 8.190 0.044 0.081 0.479 195 V N -6.296 113.630 119.914 0.021 0.000 3.354 195 V HA 0.081 4.207 4.120 0.010 0.000 0.258 195 V C 0.002 176.104 176.094 0.013 0.000 1.159 195 V CA -1.107 61.199 62.300 0.011 0.000 1.125 195 V CB -0.183 31.640 31.823 0.000 0.000 0.774 195 V HN -0.211 7.957 8.190 0.019 0.033 0.464 196 A N 1.755 124.588 122.820 0.022 0.000 2.492 196 A HA -0.045 4.285 4.320 0.017 0.000 0.236 196 A C -0.942 176.660 177.584 0.029 0.000 1.078 196 A CA 1.259 53.312 52.037 0.026 0.000 0.773 196 A CB 0.331 19.355 19.000 0.040 0.000 1.023 196 A HN -0.458 7.613 8.150 0.027 0.095 0.504 197 T N -3.586 110.984 114.554 0.027 0.000 2.778 197 T HA 0.079 4.494 4.350 0.026 -0.049 0.293 197 T C -1.201 173.517 174.700 0.030 0.000 1.144 197 T CA -1.900 60.215 62.100 0.025 0.000 1.010 197 T CB 2.729 71.606 68.868 0.015 0.000 1.325 197 T HN -0.131 8.124 8.240 0.024 0.000 0.515 198 N N -1.041 117.676 118.700 0.027 0.000 2.518 198 N HA 0.345 5.106 4.740 0.036 0.000 0.284 198 N C -1.046 174.477 175.510 0.022 0.000 1.230 198 N CA -1.913 51.155 53.050 0.031 0.000 0.941 198 N CB -1.226 37.283 38.487 0.035 0.000 1.219 198 N HN 0.396 8.666 8.380 0.021 0.123 0.560 199 P HA -0.078 4.351 4.420 0.014 0.000 0.218 199 P C -0.260 177.047 177.300 0.012 0.000 1.146 199 P CA 2.257 65.366 63.100 0.016 0.000 0.813 199 P CB -0.067 31.643 31.700 0.017 0.000 0.778 200 S N -4.627 111.080 115.700 0.012 0.000 2.428 200 S HA -0.166 4.308 4.470 0.006 0.000 0.230 200 S C 0.938 175.541 174.600 0.006 0.000 1.014 200 S CA 0.793 58.997 58.200 0.007 0.000 0.957 200 S CB 0.272 63.476 63.200 0.007 0.000 0.784 200 S HN -0.120 8.250 8.310 0.016 -0.051 0.499 201 G N -0.619 108.185 108.800 0.008 0.000 2.205 201 G HA2 -0.189 3.775 3.960 0.007 0.000 0.180 201 G HA3 -0.189 3.773 3.960 0.004 0.000 0.180 201 G C -0.678 174.225 174.900 0.005 0.000 1.004 201 G CA -0.319 44.784 45.100 0.006 0.000 0.670 201 G HN 0.038 8.340 8.290 0.011 -0.006 0.496 202 R N -0.462 120.042 120.500 0.005 0.000 2.778 202 R HA 0.385 4.727 4.340 0.002 0.000 0.277 202 R C -0.682 175.621 176.300 0.006 0.000 0.977 202 R CA -2.376 53.725 56.100 0.002 0.000 0.950 202 R CB 2.699 32.997 30.300 -0.004 0.000 1.165 202 R HN 0.172 8.755 8.270 0.007 -0.309 0.474 203 L N 0.467 121.691 121.223 0.002 0.000 2.720 203 L HA -0.223 4.414 4.340 0.019 -0.286 0.289 203 L C 1.581 178.457 176.870 0.010 0.000 1.232 203 L CA 0.296 55.141 54.840 0.007 0.000 0.915 203 L CB -1.361 40.695 42.059 -0.004 0.000 1.184 203 L HN 0.462 8.691 8.230 -0.002 0.000 0.491 204 I N -4.945 115.654 120.570 0.048 0.000 2.716 204 I HA 0.006 4.520 4.170 0.068 -0.302 0.259 204 I C 1.667 177.868 176.117 0.140 0.000 1.172 204 I CA 1.746 63.101 61.300 0.093 0.000 1.478 204 I CB 0.721 38.794 38.000 0.121 0.000 1.104 204 I HN -0.520 7.722 8.210 0.054 0.000 0.439 205 S N 0.032 115.809 115.700 0.127 0.000 2.562 205 S HA -0.220 4.589 4.470 0.565 0.000 0.221 205 S C 1.826 176.381 174.600 -0.074 0.000 0.975 205 S CA 2.254 60.570 58.200 0.193 0.000 0.918 205 S CB -0.398 62.898 63.200 0.160 0.000 0.772 205 S HN 0.100 8.430 8.310 0.091 0.034 0.531 206 E N 3.984 124.098 120.200 -0.143 0.000 2.086 206 E HA -0.312 3.978 4.350 -0.099 0.000 0.200 206 E C 1.560 177.977 176.600 -0.305 0.000 1.012 206 E CA 3.376 59.673 56.400 -0.172 0.000 0.812 206 E CB -0.360 29.262 29.700 -0.130 0.000 0.743 206 E HN 0.436 8.533 8.360 -0.083 0.213 0.453 207 L N -4.599 116.228 121.223 -0.660 0.000 2.395 207 L HA -0.110 4.021 4.340 -0.348 0.000 0.218 207 L C 0.233 176.681 176.870 -0.703 0.000 1.130 207 L CA 0.580 54.976 54.840 -0.739 0.000 0.826 207 L CB -0.735 40.798 42.059 -0.877 0.000 0.941 207 L HN -0.334 7.401 8.230 -0.811 0.008 0.451 208 F N -7.852 112.111 119.950 0.021 0.000 2.668 208 F HA 0.215 5.066 4.527 0.014 -0.316 0.301 208 F C 0.399 176.197 175.800 -0.003 0.000 1.106 208 F CA -2.848 55.157 58.000 0.009 0.000 1.289 208 F CB -0.856 38.145 39.000 0.002 0.000 1.006 208 F HN -0.394 7.190 8.300 -0.873 0.192 0.535 209 Q N 0.643 120.456 119.800 0.021 0.000 2.061 209 Q HA -0.265 4.099 4.340 0.040 0.000 0.204 209 Q C 0.304 176.312 176.000 0.013 0.000 0.984 209 Q CA 2.859 58.672 55.803 0.016 0.000 0.846 209 Q CB 0.092 28.816 28.738 -0.023 0.000 0.902 209 Q HN -0.637 7.504 8.270 -0.084 0.079 0.421 210 K N -3.872 116.519 120.400 -0.014 0.000 2.535 210 K HA 0.204 4.503 4.320 -0.036 0.000 0.250 210 K C -1.362 175.162 176.600 -0.127 0.000 0.948 210 K CA -1.692 54.562 56.287 -0.056 0.000 0.796 210 K CB 2.321 34.776 32.500 -0.074 0.000 1.216 210 K HN -0.284 7.954 8.250 -0.019 0.000 0.432 211 L N 5.914 127.047 121.223 -0.150 0.000 2.264 211 L HA 0.393 4.442 4.340 -0.534 -0.029 0.289 211 L C -1.654 175.064 176.870 -0.254 0.000 1.044 211 L CA -2.935 51.731 54.840 -0.290 0.000 0.807 211 L CB -0.138 41.830 42.059 -0.153 0.000 1.192 211 L HN 0.339 8.515 8.230 -0.089 0.000 0.425 212 P HA -0.174 3.978 4.420 -0.447 0.000 0.216 212 P C -0.769 176.523 177.300 -0.014 0.000 0.997 212 P CA 1.662 64.599 63.100 -0.271 0.000 0.967 212 P CB 0.684 32.221 31.700 -0.272 0.000 0.588 213 S N -6.750 109.036 115.700 0.142 0.000 2.800 213 S HA 0.048 4.492 4.470 -0.044 0.000 0.266 213 S C -0.830 173.599 174.600 -0.285 0.000 1.029 213 S CA -0.142 58.051 58.200 -0.012 0.000 1.302 213 S CB 0.176 63.435 63.200 0.098 0.000 1.212 213 S HN -0.171 8.371 8.310 0.387 0.000 0.683 214 K N -3.596 116.252 120.400 -0.920 0.000 3.426 214 K HA -0.323 1.812 4.320 -3.642 0.000 0.315 214 K C -1.247 174.952 176.600 -0.668 0.000 1.293 214 K CA 2.186 57.546 56.287 -1.544 0.000 0.955 214 K CB -1.302 30.743 32.500 -0.758 0.000 1.238 214 K HN 0.339 8.086 8.250 -0.838 0.000 0.441 215 V N -7.900 111.837 119.914 -0.295 0.000 3.110 215 V HA 0.029 4.098 4.120 -0.086 0.000 0.233 215 V C 0.239 176.341 176.094 0.013 0.000 1.550 215 V CA 0.338 62.582 62.300 -0.094 0.000 1.186 215 V CB 1.049 32.822 31.823 -0.082 0.000 1.052 215 V HN -0.678 7.283 8.190 -0.212 0.102 0.452 216 Q N -0.474 119.377 119.800 0.085 0.000 2.137 216 Q HA -0.098 4.204 4.340 -0.063 0.000 0.198 216 Q C -0.430 175.514 176.000 -0.092 0.000 0.960 216 Q CA 2.080 57.905 55.803 0.037 0.000 0.847 216 Q CB 0.558 29.415 28.738 0.198 0.000 0.915 216 Q HN 0.111 8.439 8.270 0.096 0.000 0.448 217 Y N -4.059 116.371 120.300 0.216 0.000 2.480 217 Y HA 0.381 5.037 4.550 0.177 0.000 0.356 217 Y C -1.841 174.303 175.900 0.407 0.000 0.922 217 Y CA -3.517 54.735 58.100 0.253 0.000 1.146 217 Y CB -1.354 37.222 38.460 0.193 0.000 1.185 217 Y HN -0.401 8.267 8.280 0.646 0.000 0.624 218 P HA -0.296 4.525 4.420 0.670 0.000 0.218 218 P C 0.647 178.154 177.300 0.344 0.000 1.146 218 P CA 2.624 65.994 63.100 0.449 0.000 0.813 218 P CB -0.084 31.744 31.700 0.215 0.000 0.778 219 D N -1.797 118.760 120.400 0.261 0.000 2.116 219 D HA -0.361 4.376 4.640 0.161 0.000 0.193 219 D C 2.002 178.432 176.300 0.217 0.000 0.998 219 D CA 4.561 58.683 54.000 0.203 0.000 0.836 219 D CB -0.747 40.164 40.800 0.185 0.000 0.951 219 D HN 0.056 8.547 8.370 0.253 0.030 0.449 220 Y N 0.358 120.666 120.300 0.013 0.000 2.224 220 Y HA -0.419 4.262 4.550 0.218 0.000 0.289 220 Y C 1.450 177.109 175.900 -0.402 0.000 1.146 220 Y CA 3.489 61.446 58.100 -0.238 0.000 1.182 220 Y CB 0.109 38.135 38.460 -0.723 0.000 0.983 220 Y HN -0.361 8.092 8.280 0.288 -0.001 0.524 221 Y N -4.311 116.202 120.300 0.355 0.000 2.516 221 Y HA -0.274 4.433 4.550 0.262 0.000 0.291 221 Y C 0.642 176.637 175.900 0.158 0.000 1.131 221 Y CA 2.060 60.295 58.100 0.225 0.000 1.281 221 Y CB -0.795 37.747 38.460 0.136 0.000 1.013 221 Y HN -0.794 7.380 8.280 0.015 0.115 0.554 222 A N -1.588 121.368 122.820 0.228 0.000 1.903 222 A HA -0.123 4.286 4.320 0.149 0.000 0.213 222 A C 0.956 178.607 177.584 0.111 0.000 1.185 222 A CA 1.999 54.128 52.037 0.154 0.000 0.628 222 A CB 0.108 19.188 19.000 0.132 0.000 0.830 222 A HN -0.018 8.003 8.150 0.227 0.265 0.446 223 I N -1.170 119.463 120.570 0.104 0.000 2.202 223 I HA -0.204 3.993 4.170 0.046 0.000 0.242 223 I C 0.326 176.482 176.117 0.066 0.000 1.091 223 I CA 1.430 62.771 61.300 0.068 0.000 1.368 223 I CB 0.388 38.427 38.000 0.065 0.000 1.058 223 I HN -0.180 8.106 8.210 0.127 0.000 0.410 224 I N -2.567 118.051 120.570 0.080 0.000 2.945 224 I HA -0.175 4.026 4.170 0.051 0.000 0.292 224 I C -0.272 175.901 176.117 0.094 0.000 1.093 224 I CA -0.460 60.886 61.300 0.077 0.000 1.336 224 I CB 0.402 38.466 38.000 0.105 0.000 1.435 224 I HN -0.412 7.851 8.210 0.089 0.000 0.593 225 K N -0.430 120.013 120.400 0.073 0.000 2.329 225 K HA 0.078 4.444 4.320 0.076 0.000 0.198 225 K C -0.104 176.540 176.600 0.074 0.000 1.085 225 K CA -0.219 56.108 56.287 0.066 0.000 0.961 225 K CB 1.540 34.063 32.500 0.038 0.000 0.971 225 K HN 0.309 8.593 8.250 0.056 0.000 0.502 226 E N -1.289 118.953 120.200 0.069 0.000 3.626 226 E HA 0.372 4.769 4.350 0.080 0.000 0.245 226 E C -2.968 173.682 176.600 0.083 0.000 1.236 226 E CA -2.921 53.518 56.400 0.066 0.000 1.072 226 E CB 0.498 30.212 29.700 0.024 0.000 1.309 226 E HN -0.224 8.171 8.360 0.058 0.000 0.400 227 P HA 0.012 4.546 4.420 0.190 0.000 0.276 227 P C -2.195 175.184 177.300 0.133 0.000 1.230 227 P CA -0.381 62.839 63.100 0.200 0.000 0.776 227 P CB 0.793 32.695 31.700 0.337 0.000 0.888 228 I N 1.516 122.136 120.570 0.084 0.000 2.748 228 I HA 0.051 4.250 4.170 0.048 0.000 0.283 228 I C -3.213 172.918 176.117 0.024 0.000 1.653 228 I CA 0.048 61.376 61.300 0.046 0.000 1.093 228 I CB 3.295 41.322 38.000 0.045 0.000 1.545 228 I HN 0.141 8.409 8.210 0.096 0.000 0.429 229 D N 7.680 128.101 120.400 0.036 0.000 2.384 229 D HA 0.421 5.110 4.640 0.081 0.000 0.250 229 D C 0.719 177.056 176.300 0.062 0.000 1.029 229 D CA -1.549 52.494 54.000 0.073 0.000 0.990 229 D CB 3.032 43.888 40.800 0.093 0.000 1.175 229 D HN -0.410 7.974 8.370 0.023 0.000 0.532 230 L N 1.620 122.897 121.223 0.090 0.000 2.103 230 L HA -0.454 3.928 4.340 0.069 0.000 0.215 230 L C 1.378 178.293 176.870 0.075 0.000 1.080 230 L CA 4.676 59.565 54.840 0.082 0.000 0.764 230 L CB -0.053 42.068 42.059 0.105 0.000 0.890 230 L HN 0.324 8.643 8.230 0.148 0.000 0.435 231 K N -1.720 118.716 120.400 0.059 0.000 2.001 231 K HA -0.330 4.015 4.320 0.042 0.000 0.208 231 K C 1.958 178.582 176.600 0.041 0.000 1.048 231 K CA 3.757 60.068 56.287 0.040 0.000 0.932 231 K CB -0.579 31.931 32.500 0.017 0.000 0.715 231 K HN -0.066 8.203 8.250 0.063 0.018 0.437 232 T N 1.522 116.098 114.554 0.035 0.000 2.833 232 T HA -0.213 4.142 4.350 0.009 0.000 0.269 232 T C 1.984 176.732 174.700 0.080 0.000 1.054 232 T CA 3.677 65.796 62.100 0.031 0.000 1.135 232 T CB -0.745 68.135 68.868 0.018 0.000 0.869 232 T HN -0.772 7.408 8.240 0.032 0.079 0.466 233 I N 2.080 122.728 120.570 0.131 0.000 2.163 233 I HA -0.388 4.030 4.170 0.413 0.000 0.240 233 I C 1.359 177.652 176.117 0.294 0.000 1.081 233 I CA 4.090 65.549 61.300 0.266 0.000 1.353 233 I CB -0.142 37.958 38.000 0.166 0.000 1.054 233 I HN 0.378 8.541 8.210 0.097 0.105 0.407 234 A N -0.910 122.013 122.820 0.170 0.000 1.933 234 A HA -0.451 3.975 4.320 0.178 0.000 0.218 234 A C 1.872 179.515 177.584 0.099 0.000 1.175 234 A CA 3.273 55.395 52.037 0.140 0.000 0.628 234 A CB -1.003 18.050 19.000 0.089 0.000 0.814 234 A HN -0.376 7.853 8.150 0.131 0.000 0.444 235 Q N -1.935 117.902 119.800 0.061 0.000 2.096 235 Q HA -0.389 3.956 4.340 0.009 0.000 0.204 235 Q C 2.942 178.918 176.000 -0.040 0.000 0.982 235 Q CA 3.547 59.355 55.803 0.008 0.000 0.850 235 Q CB -0.083 28.651 28.738 -0.006 0.000 0.901 235 Q HN -0.178 8.038 8.270 0.071 0.096 0.422 236 R N -1.387 119.060 120.500 -0.088 0.000 2.119 236 R HA -0.196 3.969 4.340 -0.291 0.000 0.222 236 R C 2.465 178.580 176.300 -0.308 0.000 1.088 236 R CA 2.759 58.645 56.100 -0.357 0.000 0.984 236 R CB -0.034 29.775 30.300 -0.818 0.000 0.884 236 R HN -0.271 7.886 8.270 -0.001 0.113 0.447 237 I N 0.123 120.734 120.570 0.068 0.000 2.118 237 I HA -0.586 3.889 4.170 0.508 0.000 0.241 237 I C 1.462 177.646 176.117 0.112 0.000 1.070 237 I CA 4.215 65.679 61.300 0.273 0.000 1.327 237 I CB 0.174 38.352 38.000 0.297 0.000 1.034 237 I HN 0.175 8.396 8.210 0.177 0.094 0.405 238 Q N -3.857 115.980 119.800 0.062 0.000 2.245 238 Q HA -0.238 4.161 4.340 0.053 -0.027 0.201 238 Q C 1.895 177.893 176.000 -0.003 0.000 0.955 238 Q CA 2.162 57.986 55.803 0.036 0.000 0.870 238 Q CB -0.380 28.378 28.738 0.033 0.000 0.945 238 Q HN -0.513 7.795 8.270 0.063 0.000 0.461 239 N N 0.176 118.851 118.700 -0.042 0.000 2.571 239 N HA -0.119 4.595 4.740 -0.043 0.000 0.189 239 N C 0.616 176.083 175.510 -0.073 0.000 1.154 239 N CA 0.493 53.504 53.050 -0.066 0.000 0.907 239 N CB 0.186 38.613 38.487 -0.100 0.000 0.977 239 N HN -0.614 7.622 8.380 -0.051 0.113 0.449 240 G N -2.292 106.473 108.800 -0.058 0.000 2.143 240 G HA2 -0.409 3.548 3.960 -0.004 0.000 0.248 240 G HA3 -0.409 3.532 3.960 -0.032 0.000 0.248 240 G C 0.477 175.327 174.900 -0.082 0.000 0.991 240 G CA 0.666 45.741 45.100 -0.041 0.000 0.689 240 G HN -0.628 7.543 8.290 -0.039 0.096 0.522 241 S N -0.377 115.200 115.700 -0.205 0.000 2.603 241 S HA -0.032 4.331 4.470 -0.178 0.000 0.220 241 S C -0.154 174.267 174.600 -0.297 0.000 0.967 241 S CA 2.157 60.168 58.200 -0.315 0.000 0.920 241 S CB 0.394 63.289 63.200 -0.507 0.000 0.773 241 S HN 0.136 8.258 8.310 -0.239 0.044 0.529 242 Y N -1.938 118.383 120.300 0.036 0.000 2.846 242 Y HA 0.022 4.599 4.550 0.046 0.000 0.258 242 Y C -0.351 175.575 175.900 0.043 0.000 1.077 242 Y CA -0.211 57.921 58.100 0.053 0.000 1.270 242 Y CB 0.984 39.498 38.460 0.090 0.000 1.476 242 Y HN -0.691 7.499 8.280 -0.031 0.072 0.460 243 K N -4.629 115.891 120.400 0.200 0.000 3.529 243 K HA -0.399 3.960 4.320 0.065 0.000 0.313 243 K C -2.405 174.225 176.600 0.050 0.000 1.316 243 K CA 1.361 57.700 56.287 0.087 0.000 0.988 243 K CB -0.619 31.904 32.500 0.038 0.000 1.252 243 K HN 0.348 8.724 8.250 0.210 0.000 0.438 244 S N -4.736 111.059 115.700 0.158 0.000 2.563 244 S HA 0.175 4.676 4.470 0.051 0.000 0.279 244 S C -0.165 174.640 174.600 0.341 0.000 1.155 244 S CA -1.008 57.287 58.200 0.158 0.000 0.928 244 S CB 2.132 65.342 63.200 0.017 0.000 1.107 244 S HN -0.784 7.536 8.310 0.270 0.153 0.462 245 I N 5.542 126.488 120.570 0.626 0.000 2.614 245 I HA -0.404 3.896 4.170 0.217 0.000 0.258 245 I C 1.058 177.384 176.117 0.348 0.000 1.189 245 I CA 2.130 63.673 61.300 0.405 0.000 1.462 245 I CB -0.824 37.338 38.000 0.270 0.000 1.092 245 I HN 0.842 9.733 8.210 1.136 0.000 0.442 246 H N -0.459 118.752 119.070 0.234 0.000 2.457 246 H HA -0.363 4.348 4.556 0.259 0.000 0.297 246 H C 2.198 177.520 175.328 -0.010 0.000 1.092 246 H CA 3.018 59.166 56.048 0.166 0.000 1.309 246 H CB -0.204 29.654 29.762 0.160 0.000 1.382 246 H HN -0.480 8.255 8.280 0.803 0.027 0.535 247 A N -1.045 121.811 122.820 0.061 0.000 1.898 247 A HA -0.175 4.118 4.320 -0.046 0.000 0.214 247 A C 1.548 178.758 177.584 -0.623 0.000 1.183 247 A CA 2.535 54.494 52.037 -0.130 0.000 0.622 247 A CB -0.792 18.249 19.000 0.068 0.000 0.824 247 A HN -0.083 8.018 8.150 0.150 0.138 0.444 248 M N 0.315 119.343 119.600 -0.953 0.000 2.080 248 M HA -0.465 2.610 4.480 -2.341 0.000 0.260 248 M C 1.854 177.795 176.300 -0.600 0.000 1.068 248 M CA 3.464 58.061 55.300 -1.173 0.000 1.109 248 M CB 0.033 32.366 32.600 -0.445 0.000 1.342 248 M HN -0.767 7.109 8.290 -0.541 0.090 0.405 249 A N -1.116 121.393 122.820 -0.518 0.000 1.892 249 A HA -0.397 2.791 4.320 -1.887 0.000 0.218 249 A C 1.875 179.037 177.584 -0.704 0.000 1.188 249 A CA 3.557 54.961 52.037 -1.055 0.000 0.631 249 A CB -0.980 17.509 19.000 -0.852 0.000 0.822 249 A HN 0.760 8.645 8.150 -0.251 0.114 0.447 250 K N -2.643 117.512 120.400 -0.409 0.000 2.152 250 K HA -0.305 3.848 4.320 -0.278 0.000 0.206 250 K C 2.314 178.761 176.600 -0.255 0.000 1.048 250 K CA 2.729 58.853 56.287 -0.271 0.000 0.933 250 K CB -0.723 31.696 32.500 -0.136 0.000 0.721 250 K HN -0.385 7.584 8.250 -0.330 0.083 0.447 251 D N -1.434 118.805 120.400 -0.268 0.000 2.234 251 D HA -0.135 4.444 4.640 -0.102 0.000 0.205 251 D C 2.034 178.191 176.300 -0.238 0.000 0.962 251 D CA 3.504 57.406 54.000 -0.163 0.000 0.855 251 D CB -0.402 40.387 40.800 -0.018 0.000 0.951 251 D HN -0.773 7.260 8.370 -0.355 0.124 0.500 252 I N -0.257 120.081 120.570 -0.386 0.000 2.394 252 I HA -0.410 3.573 4.170 -0.313 0.000 0.251 252 I C 1.384 177.241 176.117 -0.433 0.000 1.136 252 I CA 2.820 63.860 61.300 -0.434 0.000 1.425 252 I CB -1.072 36.502 38.000 -0.710 0.000 1.079 252 I HN -0.109 7.549 8.210 -0.483 0.262 0.425 253 D N 0.361 120.508 120.400 -0.421 0.000 2.149 253 D HA -0.170 4.262 4.640 -0.346 0.000 0.201 253 D C 2.582 178.717 176.300 -0.275 0.000 0.972 253 D CA 3.763 57.560 54.000 -0.338 0.000 0.835 253 D CB 0.593 41.216 40.800 -0.295 0.000 0.966 253 D HN 0.136 8.117 8.370 -0.448 0.120 0.476 254 L N -1.214 119.870 121.223 -0.232 0.000 2.201 254 L HA -0.229 4.025 4.340 -0.143 0.000 0.212 254 L C 1.971 178.717 176.870 -0.206 0.000 1.105 254 L CA 2.471 57.212 54.840 -0.166 0.000 0.775 254 L CB -0.231 41.770 42.059 -0.097 0.000 0.913 254 L HN -0.342 7.651 8.230 -0.239 0.094 0.440 255 L N 0.403 121.446 121.223 -0.300 0.000 2.017 255 L HA -0.107 4.282 4.340 -0.273 -0.213 0.208 255 L C 1.801 178.180 176.870 -0.818 0.000 1.073 255 L CA 2.917 57.484 54.840 -0.455 0.000 0.745 255 L CB -0.118 41.662 42.059 -0.465 0.000 0.894 255 L HN 0.272 8.082 8.230 -0.297 0.241 0.432 256 A N -2.985 119.417 122.820 -0.696 0.000 1.969 256 A HA -0.280 3.510 4.320 -0.884 0.000 0.218 256 A C 1.815 179.208 177.584 -0.318 0.000 1.169 256 A CA 2.850 54.536 52.037 -0.585 0.000 0.635 256 A CB -0.690 18.089 19.000 -0.369 0.000 0.810 256 A HN -0.424 7.317 8.150 -0.534 0.089 0.445 257 K N -1.802 118.447 120.400 -0.251 0.000 2.057 257 K HA -0.284 3.933 4.320 -0.172 0.000 0.206 257 K C 2.364 178.889 176.600 -0.124 0.000 1.050 257 K CA 2.017 58.205 56.287 -0.166 0.000 0.935 257 K CB -0.670 31.758 32.500 -0.120 0.000 0.715 257 K HN 0.053 7.905 8.250 -0.271 0.235 0.439 258 N N -1.052 117.599 118.700 -0.081 0.000 2.364 258 N HA -0.348 4.396 4.740 0.007 0.000 0.183 258 N C 1.376 176.928 175.510 0.070 0.000 1.022 258 N CA 2.767 55.827 53.050 0.018 0.000 0.883 258 N CB -1.193 37.357 38.487 0.106 0.000 0.965 258 N HN 0.194 8.392 8.380 -0.127 0.105 0.438 259 A N 1.520 124.402 122.820 0.103 0.000 1.858 259 A HA -0.355 4.192 4.320 0.378 0.000 0.216 259 A C 1.699 179.091 177.584 -0.319 0.000 1.190 259 A CA 3.286 55.423 52.037 0.167 0.000 0.617 259 A CB -0.414 18.759 19.000 0.289 0.000 0.827 259 A HN -0.492 7.487 8.150 -0.024 0.157 0.443 260 K N -4.399 115.631 120.400 -0.617 0.000 2.283 260 K HA -0.232 2.396 4.320 -2.821 0.000 0.202 260 K C 1.530 177.919 176.600 -0.352 0.000 1.048 260 K CA 2.643 58.248 56.287 -1.137 0.000 0.948 260 K CB -0.430 31.620 32.500 -0.751 0.000 0.742 260 K HN -0.583 7.418 8.250 -0.416 0.000 0.458 261 T N 0.516 114.977 114.554 -0.156 0.000 2.901 261 T HA -0.077 4.268 4.350 -0.008 0.000 0.252 261 T C 0.446 175.153 174.700 0.011 0.000 1.035 261 T CA 2.917 64.999 62.100 -0.029 0.000 1.142 261 T CB 0.738 69.600 68.868 -0.010 0.000 0.869 261 T HN -0.594 7.408 8.240 -0.163 0.140 0.442 262 Y N 0.583 120.788 120.300 -0.159 0.000 2.153 262 Y HA -0.163 4.241 4.550 -0.242 0.000 0.289 262 Y C 0.086 175.925 175.900 -0.102 0.000 1.119 262 Y CA 2.660 60.629 58.100 -0.218 0.000 1.116 262 Y CB 0.781 38.998 38.460 -0.404 0.000 1.004 262 Y HN -0.044 8.171 8.280 0.078 0.111 0.501 263 N N -0.930 117.815 118.700 0.076 0.000 2.290 263 N HA -0.021 4.707 4.740 -0.021 0.000 0.269 263 N C -1.026 174.595 175.510 0.185 0.000 1.295 263 N CA 0.618 53.724 53.050 0.092 0.000 0.932 263 N CB 1.130 39.717 38.487 0.166 0.000 1.128 263 N HN -0.727 7.729 8.380 0.127 0.000 0.532 264 E N -0.724 119.579 120.200 0.171 0.000 2.204 264 E HA 0.428 4.828 4.350 0.085 0.000 0.276 264 E C -2.269 174.281 176.600 -0.083 0.000 0.974 264 E CA -3.194 53.252 56.400 0.076 0.000 0.815 264 E CB 1.194 30.879 29.700 -0.025 0.000 1.119 264 E HN 0.235 8.672 8.360 0.127 0.000 0.393 265 P HA -0.061 2.609 4.420 -2.916 0.000 0.273 265 P C -0.108 176.822 177.300 -0.616 0.000 1.250 265 P CA 0.288 62.660 63.100 -1.213 0.000 0.793 265 P CB 0.380 31.633 31.700 -0.744 0.000 1.011 266 G N -2.634 105.825 108.800 -0.567 0.000 2.189 266 G HA2 -0.292 3.535 3.960 -0.222 0.000 0.267 266 G HA3 -0.292 3.539 3.960 -0.216 0.000 0.267 266 G C -0.743 174.044 174.900 -0.189 0.000 0.975 266 G CA 0.132 45.067 45.100 -0.275 0.000 0.644 266 G HN 0.502 8.343 8.290 -0.749 0.000 0.537 267 S N -0.837 114.736 115.700 -0.212 0.000 2.651 267 S HA 0.272 4.710 4.470 -0.052 0.000 0.291 267 S C 0.280 174.896 174.600 0.026 0.000 1.141 267 S CA -2.365 55.798 58.200 -0.062 0.000 1.027 267 S CB 1.141 64.332 63.200 -0.016 0.000 1.043 267 S HN -0.641 7.314 8.310 -0.393 0.120 0.530 268 Q N 2.705 122.531 119.800 0.044 0.000 2.297 268 Q HA -0.272 4.109 4.340 0.067 0.000 0.208 268 Q C 1.853 177.939 176.000 0.144 0.000 0.981 268 Q CA 2.655 58.502 55.803 0.073 0.000 0.876 268 Q CB -0.322 28.439 28.738 0.039 0.000 0.921 268 Q HN 0.704 8.986 8.270 0.020 0.000 0.446 269 V N 0.118 120.145 119.914 0.188 0.000 2.317 269 V HA -0.493 3.683 4.120 0.094 0.000 0.251 269 V C 1.363 177.659 176.094 0.337 0.000 1.065 269 V CA 3.913 66.352 62.300 0.231 0.000 1.049 269 V CB -0.030 31.951 31.823 0.264 0.000 0.651 269 V HN -0.174 8.065 8.190 0.154 0.043 0.450 270 F N -2.393 117.598 119.950 0.068 0.000 2.098 270 F HA -0.209 4.375 4.527 0.095 0.000 0.294 270 F C 2.492 178.329 175.800 0.062 0.000 1.107 270 F CA 2.604 60.645 58.000 0.069 0.000 1.234 270 F CB -0.996 38.027 39.000 0.038 0.000 1.002 270 F HN -0.717 8.057 8.300 0.811 0.012 0.472 271 K N -0.607 119.943 120.400 0.250 0.000 2.211 271 K HA -0.306 4.091 4.320 0.128 0.000 0.203 271 K C 2.263 178.935 176.600 0.120 0.000 1.050 271 K CA 2.824 59.196 56.287 0.142 0.000 0.945 271 K CB -0.375 32.184 32.500 0.098 0.000 0.732 271 K HN -0.351 8.057 8.250 0.264 0.000 0.451 272 D N -0.542 119.945 120.400 0.144 0.000 2.084 272 D HA -0.246 4.457 4.640 0.105 0.000 0.196 272 D C 2.010 178.416 176.300 0.178 0.000 0.985 272 D CA 3.695 57.779 54.000 0.141 0.000 0.826 272 D CB -0.282 40.598 40.800 0.134 0.000 0.978 272 D HN 0.244 8.592 8.370 0.170 0.124 0.456 273 A N -0.720 122.244 122.820 0.240 0.000 1.902 273 A HA -0.379 4.085 4.320 0.239 0.000 0.217 273 A C 1.410 178.996 177.584 0.004 0.000 1.181 273 A CA 3.341 55.477 52.037 0.165 0.000 0.623 273 A CB -0.574 18.506 19.000 0.134 0.000 0.818 273 A HN -0.173 8.130 8.150 0.254 0.000 0.443 274 N N -2.425 116.290 118.700 0.024 0.000 2.104 274 N HA -0.304 4.406 4.740 -0.049 0.000 0.190 274 N C 2.203 177.712 175.510 -0.001 0.000 1.024 274 N CA 3.380 56.427 53.050 -0.006 0.000 0.853 274 N CB -0.064 38.438 38.487 0.026 0.000 1.008 274 N HN -0.367 8.053 8.380 0.067 0.000 0.424 275 S N 0.817 116.537 115.700 0.033 0.000 2.402 275 S HA -0.206 4.281 4.470 0.027 0.000 0.229 275 S C 1.969 176.587 174.600 0.030 0.000 1.021 275 S CA 3.221 61.442 58.200 0.035 0.000 0.974 275 S CB -0.521 62.710 63.200 0.051 0.000 0.800 275 S HN -0.510 7.738 8.310 0.057 0.096 0.484 276 I N 2.056 122.645 120.570 0.031 0.000 2.099 276 I HA -0.566 3.640 4.170 0.060 0.000 0.239 276 I C 1.229 177.339 176.117 -0.011 0.000 1.066 276 I CA 4.202 65.517 61.300 0.025 0.000 1.324 276 I CB -0.503 37.497 38.000 -0.000 0.000 1.037 276 I HN 0.183 8.281 8.210 0.046 0.139 0.401 277 K N -1.764 118.572 120.400 -0.107 0.000 2.152 277 K HA -0.408 3.753 4.320 -0.265 0.000 0.206 277 K C 2.021 178.559 176.600 -0.102 0.000 1.048 277 K CA 3.410 59.574 56.287 -0.204 0.000 0.933 277 K CB -0.935 31.387 32.500 -0.297 0.000 0.721 277 K HN -0.372 7.804 8.250 -0.124 0.000 0.447 278 K N 0.162 120.545 120.400 -0.028 0.000 2.025 278 K HA -0.243 4.103 4.320 0.044 0.000 0.207 278 K C 2.577 179.221 176.600 0.073 0.000 1.049 278 K CA 2.952 59.258 56.287 0.031 0.000 0.933 278 K CB -0.037 32.480 32.500 0.028 0.000 0.714 278 K HN -0.903 7.224 8.250 -0.033 0.103 0.438 279 I N -0.410 120.197 120.570 0.061 0.000 2.226 279 I HA -0.434 3.758 4.170 0.036 0.000 0.245 279 I C 1.557 177.712 176.117 0.064 0.000 1.100 279 I CA 2.315 63.647 61.300 0.052 0.000 1.374 279 I CB -0.570 37.455 38.000 0.042 0.000 1.057 279 I HN 0.167 8.227 8.210 0.048 0.179 0.413 280 F N 2.221 122.132 119.950 -0.066 0.000 2.043 280 F HA -0.553 3.936 4.527 -0.063 0.000 0.297 280 F C 1.378 177.185 175.800 0.011 0.000 1.118 280 F CA 4.444 62.394 58.000 -0.084 0.000 1.202 280 F CB -0.042 38.836 39.000 -0.204 0.000 0.965 280 F HN 0.384 8.677 8.300 0.178 0.114 0.482 281 Y N -2.841 117.601 120.300 0.237 0.000 2.293 281 Y HA -0.390 4.174 4.550 0.024 0.000 0.291 281 Y C 2.256 178.118 175.900 -0.064 0.000 1.137 281 Y CA 1.510 59.659 58.100 0.080 0.000 1.202 281 Y CB -0.664 37.864 38.460 0.114 0.000 0.990 281 Y HN -0.645 7.853 8.280 0.363 0.000 0.537 282 M N -0.227 119.437 119.600 0.107 0.000 2.159 282 M HA -0.457 4.025 4.480 0.004 0.000 0.263 282 M C 1.715 177.980 176.300 -0.059 0.000 1.063 282 M CA 4.194 59.499 55.300 0.010 0.000 1.110 282 M CB -0.122 32.482 32.600 0.007 0.000 1.374 282 M HN -0.390 7.904 8.290 0.137 0.078 0.411 283 K N -0.601 119.739 120.400 -0.099 0.000 2.228 283 K HA -0.158 4.288 4.320 -0.127 -0.202 0.202 283 K C 2.222 178.693 176.600 -0.215 0.000 1.051 283 K CA 1.831 58.020 56.287 -0.163 0.000 0.960 283 K CB -0.402 31.978 32.500 -0.200 0.000 0.743 283 K HN 0.274 8.380 8.250 -0.081 0.095 0.458 284 K N -0.358 119.891 120.400 -0.251 0.000 2.097 284 K HA -0.321 3.800 4.320 -0.332 0.000 0.205 284 K C 1.695 178.215 176.600 -0.133 0.000 1.050 284 K CA 3.063 59.198 56.287 -0.252 0.000 0.938 284 K CB -0.395 31.998 32.500 -0.178 0.000 0.718 284 K HN -0.069 7.901 8.250 -0.214 0.151 0.442 285 A N -1.565 121.200 122.820 -0.093 0.000 1.897 285 A HA -0.138 4.184 4.320 0.004 0.000 0.215 285 A C 1.545 179.108 177.584 -0.035 0.000 1.181 285 A CA 3.151 55.157 52.037 -0.051 0.000 0.620 285 A CB -0.503 18.439 19.000 -0.097 0.000 0.821 285 A HN 0.064 8.160 8.150 -0.090 0.000 0.443 286 E N -2.030 118.113 120.200 -0.094 0.000 2.208 286 E HA -0.287 3.978 4.350 -0.142 0.000 0.193 286 E C 2.293 178.916 176.600 0.037 0.000 0.988 286 E CA 2.169 58.527 56.400 -0.070 0.000 0.828 286 E CB -0.395 29.256 29.700 -0.081 0.000 0.763 286 E HN -0.626 7.672 8.360 -0.104 0.000 0.478 287 I N 1.279 121.838 120.570 -0.018 0.000 2.179 287 I HA -0.556 3.595 4.170 -0.032 0.000 0.242 287 I C 1.522 177.678 176.117 0.064 0.000 1.088 287 I CA 4.119 65.407 61.300 -0.021 0.000 1.357 287 I CB 0.208 38.133 38.000 -0.125 0.000 1.051 287 I HN -0.356 7.788 8.210 -0.069 0.025 0.409 288 E N -0.827 119.416 120.200 0.071 0.000 2.077 288 E HA -0.362 4.017 4.350 0.048 0.000 0.193 288 E C 2.266 178.931 176.600 0.108 0.000 0.989 288 E CA 3.040 59.492 56.400 0.087 0.000 0.800 288 E CB -0.156 29.596 29.700 0.087 0.000 0.746 288 E HN -0.675 7.711 8.360 0.044 0.000 0.452 289 H N -3.273 115.810 119.070 0.021 0.000 2.495 289 H HA -0.090 4.472 4.556 0.010 0.000 0.287 289 H C 1.593 176.944 175.328 0.040 0.000 1.033 289 H CA 2.865 58.927 56.048 0.023 0.000 1.307 289 H CB 0.055 29.826 29.762 0.016 0.000 1.401 289 H HN -0.601 7.868 8.280 0.438 0.074 0.555 290 H N -0.465 118.659 119.070 0.090 0.000 2.525 290 H HA -0.011 4.570 4.556 0.042 0.000 0.275 290 H C 1.092 176.432 175.328 0.019 0.000 0.984 290 H CA 2.110 58.182 56.048 0.039 0.000 1.264 290 H CB 0.457 30.229 29.762 0.017 0.000 1.432 290 H HN -0.397 7.881 8.280 0.268 0.164 0.549 291 E N -2.099 118.168 120.200 0.112 0.000 2.394 291 E HA 0.098 4.484 4.350 0.060 0.000 0.191 291 E C -1.033 175.572 176.600 0.008 0.000 1.044 291 E CA 0.045 56.482 56.400 0.063 0.000 0.939 291 E CB -0.931 28.819 29.700 0.082 0.000 1.089 291 E HN -0.202 8.083 8.360 0.132 0.154 0.456 292 M N -2.435 117.149 119.600 -0.027 0.000 2.818 292 M HA 0.059 4.519 4.480 -0.033 0.000 0.207 292 M C -0.771 175.493 176.300 -0.059 0.000 1.874 292 M CA 0.609 55.881 55.300 -0.046 0.000 1.238 292 M CB 2.235 34.789 32.600 -0.077 0.000 1.287 292 M HN -0.637 7.533 8.290 -0.031 0.101 0.592 293 A N 0.000 122.780 122.820 -0.067 0.000 2.254 293 A HA 0.000 4.287 4.320 -0.054 0.000 0.244 293 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 293 A CB 0.000 18.976 19.000 -0.041 0.000 0.831 293 A HN 0.000 8.115 8.150 -0.059 0.000 0.486