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 1zr3_1_C DATA FIRST_RESID 183 DATA SEQUENCE FTVLSTKSLF LGQKLQVVQA DIASIDSDAV VHPTNTDFYI GGEVGNTLEK DATA SEQUENCE KGGKEFVEAV LELRKKNGPL EVAGAAVSAG HGLPAKFVIH CNSPVWGADK DATA SEQUENCE CEELLEKTVK NCLALADDKK LKSIAFPSIG SGRNGFPKQT AAQLILKAIS DATA SEQUENCE SYFVSTMSSS IKTVYFVLFD SESIGIYVQE MAKL 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 183 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 183 F C 0.000 175.776 175.800 -0.040 0.000 0.967 183 F CA 0.000 57.959 58.000 -0.069 0.000 1.383 183 F CB 0.000 38.918 39.000 -0.136 0.000 1.145 184 T N 2.467 117.182 114.554 0.269 0.000 2.824 184 T HA 0.558 4.907 4.350 -0.001 0.000 0.282 184 T C -0.915 173.959 174.700 0.291 0.000 0.993 184 T CA -0.692 61.503 62.100 0.159 0.000 0.967 184 T CB 1.956 70.871 68.868 0.078 0.000 0.960 184 T HN 0.633 8.873 8.240 -0.000 0.000 0.441 185 V N 5.271 125.344 119.914 0.265 0.000 2.521 185 V HA 0.153 4.273 4.120 -0.001 0.000 0.286 185 V C 1.070 177.263 176.094 0.165 0.000 1.034 185 V CA 0.234 62.688 62.300 0.258 0.000 1.045 185 V CB 0.399 32.370 31.823 0.246 0.000 0.974 185 V HN 0.827 9.017 8.190 -0.000 0.000 0.480 186 L N 3.018 124.335 121.223 0.157 0.000 2.388 186 L HA 0.279 4.619 4.340 -0.001 0.000 0.209 186 L C 1.000 177.935 176.870 0.109 0.000 1.061 186 L CA 0.669 55.580 54.840 0.118 0.000 0.834 186 L CB 0.442 42.568 42.059 0.112 0.000 1.029 186 L HN 0.661 8.891 8.230 -0.000 0.000 0.473 187 S N -1.585 114.193 115.700 0.129 0.000 2.607 187 S HA 0.672 5.141 4.470 -0.001 0.000 0.273 187 S C -0.988 173.692 174.600 0.134 0.000 1.148 187 S CA -0.353 57.915 58.200 0.114 0.000 0.833 187 S CB 2.310 65.571 63.200 0.102 0.000 1.130 187 S HN 0.019 8.329 8.310 -0.000 0.000 0.470 188 T N 2.323 116.943 114.554 0.110 0.000 2.923 188 T HA 0.635 4.985 4.350 -0.001 0.000 0.311 188 T C -1.655 173.098 174.700 0.088 0.000 1.183 188 T CA -0.731 61.434 62.100 0.108 0.000 1.020 188 T CB 1.748 70.672 68.868 0.093 0.000 1.165 188 T HN 0.444 8.684 8.240 -0.000 0.000 0.482 189 K N 1.178 121.632 120.400 0.090 0.000 2.535 189 K HA 0.637 4.957 4.320 -0.001 0.000 0.250 189 K C -1.223 175.412 176.600 0.060 0.000 0.948 189 K CA -0.387 55.946 56.287 0.076 0.000 0.796 189 K CB 1.712 34.267 32.500 0.092 0.000 1.216 189 K HN 0.498 8.748 8.250 -0.000 0.000 0.432 190 S N 4.354 120.080 115.700 0.044 0.000 2.457 190 S HA 0.504 4.973 4.470 -0.001 0.000 0.289 190 S C -0.115 174.510 174.600 0.042 0.000 1.163 190 S CA -0.779 57.434 58.200 0.021 0.000 1.078 190 S CB 0.286 63.491 63.200 0.008 0.000 0.987 190 S HN 0.501 8.811 8.310 -0.000 0.000 0.482 191 L N 2.522 123.764 121.223 0.031 0.000 2.479 191 L HA 0.379 4.718 4.340 -0.001 0.000 0.249 191 L C 1.555 178.492 176.870 0.112 0.000 1.178 191 L CA -0.596 54.299 54.840 0.092 0.000 0.811 191 L CB 0.035 42.157 42.059 0.106 0.000 1.187 191 L HN 0.630 8.860 8.230 -0.000 0.000 0.480 192 F N 1.093 121.056 119.950 0.021 0.000 2.087 192 F HA -0.226 4.303 4.527 0.002 0.000 0.299 192 F C 1.596 177.396 175.800 -0.000 0.000 1.100 192 F CA 1.723 59.733 58.000 0.016 0.000 1.226 192 F CB -0.151 38.868 39.000 0.031 0.000 0.983 192 F HN 0.227 8.527 8.300 -0.000 0.000 0.479 193 L N -0.340 120.801 121.223 -0.137 0.000 2.783 193 L HA 0.293 4.632 4.340 -0.001 0.000 0.236 193 L C 1.537 178.288 176.870 -0.198 0.000 1.225 193 L CA 0.456 55.136 54.840 -0.266 0.000 1.026 193 L CB -0.637 41.345 42.059 -0.127 0.000 1.314 193 L HN 0.470 8.700 8.230 -0.000 0.000 0.489 194 G N -0.746 107.958 108.800 -0.159 0.000 2.176 194 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.253 194 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.253 194 G C 0.271 175.070 174.900 -0.167 0.000 0.979 194 G CA -0.213 44.804 45.100 -0.140 0.000 0.641 194 G HN 0.426 8.716 8.290 -0.000 0.000 0.530 195 Q N 0.606 120.246 119.800 -0.266 0.000 2.395 195 Q HA 0.564 4.904 4.340 -0.001 0.000 0.271 195 Q C 0.388 176.269 176.000 -0.198 0.000 1.026 195 Q CA 0.672 56.257 55.803 -0.364 0.000 0.900 195 Q CB 0.548 28.783 28.738 -0.838 0.000 1.266 195 Q HN 0.470 8.740 8.270 -0.000 0.000 0.430 196 K N 1.687 121.987 120.400 -0.167 0.000 2.235 196 K HA 0.430 4.749 4.320 -0.001 0.000 0.266 196 K C -1.167 175.384 176.600 -0.083 0.000 0.980 196 K CA -0.755 55.482 56.287 -0.084 0.000 0.849 196 K CB 1.006 33.465 32.500 -0.069 0.000 1.098 196 K HN 0.237 8.487 8.250 -0.000 0.000 0.445 197 L N 3.122 124.360 121.223 0.026 0.000 2.296 197 L HA 0.335 4.674 4.340 -0.001 0.000 0.286 197 L C -0.506 176.458 176.870 0.156 0.000 1.023 197 L CA 0.027 54.940 54.840 0.122 0.000 0.812 197 L CB 1.421 43.664 42.059 0.308 0.000 1.223 197 L HN 0.536 8.766 8.230 -0.000 0.000 0.421 198 Q N 2.521 122.405 119.800 0.141 0.000 2.285 198 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 198 Q C -1.274 174.914 176.000 0.312 0.000 1.030 198 Q CA -0.775 55.154 55.803 0.210 0.000 0.788 198 Q CB 3.040 31.893 28.738 0.192 0.000 1.266 198 Q HN 0.302 8.572 8.270 -0.000 0.000 0.438 199 V N 3.066 123.161 119.914 0.303 0.000 2.488 199 V HA 0.306 4.426 4.120 -0.001 0.000 0.277 199 V C -0.073 176.134 176.094 0.189 0.000 1.046 199 V CA -0.275 62.182 62.300 0.262 0.000 0.986 199 V CB 1.194 33.138 31.823 0.202 0.000 0.989 199 V HN 0.490 8.680 8.190 -0.000 0.000 0.475 200 V N 4.108 124.100 119.914 0.130 0.000 2.735 200 V HA 0.428 4.548 4.120 -0.001 0.000 0.310 200 V C -0.376 175.762 176.094 0.074 0.000 1.061 200 V CA -0.800 61.553 62.300 0.089 0.000 0.913 200 V CB 2.178 33.920 31.823 -0.135 0.000 1.005 200 V HN 0.851 9.041 8.190 -0.000 0.000 0.428 201 Q N 2.600 122.470 119.800 0.117 0.000 2.274 201 Q HA 0.804 5.143 4.340 -0.001 0.000 0.256 201 Q C -0.480 175.590 176.000 0.116 0.000 0.927 201 Q CA 0.326 56.196 55.803 0.112 0.000 0.939 201 Q CB 1.337 30.137 28.738 0.104 0.000 1.201 201 Q HN 1.142 9.412 8.270 -0.000 0.000 0.426 202 A N 3.351 126.244 122.820 0.121 0.000 2.481 202 A HA 0.352 4.671 4.320 -0.001 0.000 0.295 202 A C -1.731 175.937 177.584 0.139 0.000 0.986 202 A CA -0.706 51.390 52.037 0.098 0.000 0.617 202 A CB 0.394 19.432 19.000 0.063 0.000 1.364 202 A HN 0.629 8.779 8.150 -0.000 0.000 0.452 203 D N 0.646 121.062 120.400 0.027 0.000 2.339 203 D HA 0.244 4.884 4.640 -0.001 0.000 0.256 203 D C 1.081 177.422 176.300 0.069 0.000 1.214 203 D CA 0.030 54.001 54.000 -0.049 0.000 0.877 203 D CB 0.664 41.378 40.800 -0.144 0.000 1.111 203 D HN 0.499 8.869 8.370 -0.000 0.000 0.478 204 I N 3.596 124.331 120.570 0.274 0.000 2.335 204 I HA -0.271 3.899 4.170 -0.001 0.000 0.251 204 I C 1.783 177.901 176.117 0.002 0.000 1.129 204 I CA 1.100 62.480 61.300 0.133 0.000 1.402 204 I CB 0.171 38.281 38.000 0.183 0.000 1.069 204 I HN 0.530 8.740 8.210 -0.000 0.000 0.424 205 A N -0.259 122.544 122.820 -0.028 0.000 2.121 205 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 205 A C 2.310 179.833 177.584 -0.101 0.000 1.154 205 A CA 1.585 53.553 52.037 -0.114 0.000 0.679 205 A CB -0.523 18.375 19.000 -0.170 0.000 0.795 205 A HN 0.599 8.749 8.150 -0.000 0.000 0.458 206 S N -1.222 114.435 115.700 -0.072 0.000 2.497 206 S HA 0.249 4.719 4.470 -0.001 0.000 0.218 206 S C 0.693 175.270 174.600 -0.038 0.000 1.023 206 S CA -0.258 57.909 58.200 -0.055 0.000 0.913 206 S CB -0.487 62.686 63.200 -0.045 0.000 0.800 206 S HN 0.448 8.758 8.310 -0.000 0.000 0.505 207 I N 2.660 123.193 120.570 -0.061 0.000 2.752 207 I HA 0.047 4.217 4.170 -0.001 0.000 0.287 207 I C 0.354 176.429 176.117 -0.069 0.000 1.188 207 I CA 0.186 61.431 61.300 -0.092 0.000 1.427 207 I CB 0.744 38.572 38.000 -0.287 0.000 1.365 207 I HN 0.043 8.253 8.210 -0.000 0.000 0.585 208 D N 4.197 124.594 120.400 -0.006 0.000 2.358 208 D HA -0.033 4.606 4.640 -0.001 0.000 0.241 208 D C 0.680 176.997 176.300 0.029 0.000 1.094 208 D CA 0.383 54.400 54.000 0.029 0.000 0.907 208 D CB 0.021 40.878 40.800 0.095 0.000 0.893 208 D HN 0.403 8.773 8.370 -0.000 0.000 0.528 209 S N -0.009 115.681 115.700 -0.015 0.000 2.568 209 S HA -0.061 4.409 4.470 -0.001 0.000 0.282 209 S C 1.087 175.721 174.600 0.056 0.000 1.338 209 S CA -0.560 57.675 58.200 0.058 0.000 1.045 209 S CB 0.737 63.954 63.200 0.029 0.000 0.873 209 S HN 0.061 8.371 8.310 -0.000 0.000 0.516 210 D N 1.978 122.432 120.400 0.090 0.000 2.117 210 D HA 0.078 4.717 4.640 -0.001 0.000 0.197 210 D C 0.531 176.913 176.300 0.136 0.000 0.987 210 D CA 1.492 55.560 54.000 0.114 0.000 0.829 210 D CB -0.128 40.753 40.800 0.135 0.000 0.961 210 D HN 0.589 8.959 8.370 -0.000 0.000 0.460 211 A N -0.268 122.593 122.820 0.068 0.000 2.401 211 A HA 0.614 4.934 4.320 -0.001 0.000 0.310 211 A C -0.896 176.641 177.584 -0.078 0.000 1.075 211 A CA -0.547 51.506 52.037 0.027 0.000 0.746 211 A CB 2.070 21.059 19.000 -0.019 0.000 1.277 211 A HN -0.090 8.060 8.150 -0.000 0.000 0.425 212 V N 1.633 121.487 119.914 -0.101 0.000 2.604 212 V HA 0.435 4.554 4.120 -0.001 0.000 0.305 212 V C -0.263 175.715 176.094 -0.193 0.000 1.043 212 V CA -0.634 61.572 62.300 -0.157 0.000 0.888 212 V CB 1.852 33.607 31.823 -0.113 0.000 0.995 212 V HN 0.688 8.878 8.190 -0.000 0.000 0.429 213 V N 3.875 123.627 119.914 -0.270 0.000 2.461 213 V HA 0.279 4.399 4.120 -0.001 0.000 0.275 213 V C 0.102 176.172 176.094 -0.039 0.000 1.047 213 V CA -0.372 61.787 62.300 -0.234 0.000 0.955 213 V CB 0.965 32.536 31.823 -0.420 0.000 0.988 213 V HN 0.923 9.113 8.190 -0.000 0.000 0.471 214 H N 6.758 125.759 119.070 -0.115 0.000 2.725 214 H HA 0.371 4.926 4.556 -0.001 0.000 0.283 214 H C -2.692 172.687 175.328 0.085 0.000 1.110 214 H CA -2.440 53.614 56.048 0.010 0.000 1.289 214 H CB 1.965 31.768 29.762 0.070 0.000 1.400 214 H HN 0.427 8.707 8.280 -0.000 0.000 0.493 215 P HA 0.046 4.466 4.420 -0.000 0.000 0.271 215 P C -0.186 176.920 177.300 -0.323 0.000 1.233 215 P CA 0.309 63.322 63.100 -0.146 0.000 0.764 215 P CB 1.380 33.068 31.700 -0.019 0.000 0.825 216 T N 2.036 116.406 114.554 -0.307 0.000 2.604 216 T HA 0.538 4.888 4.350 -0.001 0.000 0.267 216 T C -0.567 174.060 174.700 -0.122 0.000 0.923 216 T CA -0.434 61.518 62.100 -0.247 0.000 1.077 216 T CB 0.696 69.356 68.868 -0.346 0.000 1.392 216 T HN 0.430 8.670 8.240 -0.000 0.000 0.531 217 N N -1.048 117.592 118.700 -0.101 0.000 3.201 217 N HA 0.267 5.006 4.740 -0.001 0.000 0.344 217 N C 1.140 176.539 175.510 -0.186 0.000 1.465 217 N CA 0.324 53.320 53.050 -0.090 0.000 0.731 217 N CB -0.182 38.295 38.487 -0.017 0.000 1.677 217 N HN 0.643 9.023 8.380 -0.000 0.000 0.631 218 T N -3.564 110.920 114.554 -0.117 0.000 2.881 218 T HA -0.070 4.280 4.350 -0.001 0.000 0.270 218 T C 0.161 174.807 174.700 -0.089 0.000 1.068 218 T CA 1.367 63.392 62.100 -0.125 0.000 1.131 218 T CB -0.424 68.422 68.868 -0.036 0.000 0.871 218 T HN 0.462 8.702 8.240 -0.000 0.000 0.479 219 D N 0.276 120.684 120.400 0.014 0.000 2.368 219 D HA 0.260 4.900 4.640 -0.001 0.000 0.218 219 D C -0.063 176.435 176.300 0.330 0.000 1.112 219 D CA -0.390 53.720 54.000 0.183 0.000 0.834 219 D CB -0.418 40.479 40.800 0.162 0.000 0.953 219 D HN 0.423 8.793 8.370 -0.000 0.000 0.505 220 F N -0.038 119.955 119.950 0.072 0.000 3.091 220 F HA -0.300 4.226 4.527 -0.001 0.000 0.288 220 F C 0.173 176.050 175.800 0.128 0.000 0.907 220 F CA -0.217 57.815 58.000 0.053 0.000 1.028 220 F CB -2.563 36.401 39.000 -0.060 0.000 1.022 220 F HN 0.104 8.404 8.300 -0.000 0.000 0.665 221 Y N 1.763 122.155 120.300 0.153 0.000 2.810 221 Y HA 0.249 4.799 4.550 -0.001 0.000 0.332 221 Y C 0.709 176.766 175.900 0.263 0.000 1.243 221 Y CA -0.098 58.097 58.100 0.159 0.000 1.537 221 Y CB 0.255 38.774 38.460 0.098 0.000 1.265 221 Y HN 0.128 8.408 8.280 -0.000 0.000 0.572 222 I N 7.077 127.444 120.570 -0.339 0.000 2.306 222 I HA 0.507 4.677 4.170 -0.001 0.000 0.288 222 I C 0.596 176.551 176.117 -0.270 0.000 1.036 222 I CA 0.240 61.516 61.300 -0.040 0.000 1.221 222 I CB 0.319 38.316 38.000 -0.004 0.000 1.385 222 I HN 0.796 9.006 8.210 -0.000 0.000 0.472 223 G N 3.211 112.088 108.800 0.129 0.000 2.578 223 G HA2 0.631 4.591 3.960 -0.001 0.000 0.302 223 G HA3 0.631 4.591 3.960 -0.001 0.000 0.302 223 G C -0.395 174.672 174.900 0.278 0.000 1.243 223 G CA -0.164 45.064 45.100 0.214 0.000 0.843 223 G HN 0.906 9.196 8.290 -0.000 0.000 0.486 224 G N -0.605 108.346 108.800 0.251 0.000 2.916 224 G HA2 0.044 4.003 3.960 -0.001 0.000 0.533 224 G HA3 0.044 4.003 3.960 -0.001 0.000 0.533 224 G C 0.973 175.994 174.900 0.202 0.000 1.516 224 G CA 1.223 46.449 45.100 0.210 0.000 0.944 224 G HN 1.802 10.092 8.290 -0.000 0.000 0.555 225 E N -0.972 119.356 120.200 0.214 0.000 2.086 225 E HA -0.228 4.122 4.350 -0.001 0.000 0.200 225 E C 2.324 179.123 176.600 0.331 0.000 1.012 225 E CA 2.332 58.908 56.400 0.294 0.000 0.812 225 E CB -0.309 29.652 29.700 0.435 0.000 0.743 225 E HN 0.547 8.907 8.360 -0.000 0.000 0.453 226 V N 1.214 121.316 119.914 0.314 0.000 2.346 226 V HA -0.066 4.053 4.120 -0.001 0.000 0.244 226 V C 2.549 178.744 176.094 0.168 0.000 1.037 226 V CA 1.692 64.167 62.300 0.292 0.000 1.029 226 V CB -0.854 31.119 31.823 0.249 0.000 0.663 226 V HN 0.550 8.740 8.190 -0.000 0.000 0.454 227 G N 0.484 109.434 108.800 0.250 0.000 2.440 227 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 227 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 227 G C 1.437 176.352 174.900 0.025 0.000 1.154 227 G CA 1.026 46.202 45.100 0.127 0.000 0.767 227 G HN 0.502 8.792 8.290 -0.000 0.000 0.552 228 N N 0.035 118.774 118.700 0.064 0.000 2.142 228 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 228 N C 2.280 177.754 175.510 -0.060 0.000 1.023 228 N CA 1.597 54.657 53.050 0.016 0.000 0.852 228 N CB -0.775 37.737 38.487 0.042 0.000 0.998 228 N HN 0.281 8.661 8.380 -0.000 0.000 0.424 229 T N 0.919 115.427 114.554 -0.077 0.000 2.951 229 T HA 0.105 4.455 4.350 -0.001 0.000 0.268 229 T C 1.982 176.547 174.700 -0.225 0.000 1.073 229 T CA 0.396 62.407 62.100 -0.150 0.000 1.134 229 T CB -0.063 68.686 68.868 -0.199 0.000 0.884 229 T HN 0.070 8.310 8.240 -0.000 0.000 0.479 230 L N 0.444 121.463 121.223 -0.339 0.000 2.093 230 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 230 L C 2.689 179.111 176.870 -0.747 0.000 1.085 230 L CA 1.686 56.099 54.840 -0.712 0.000 0.755 230 L CB -0.418 40.901 42.059 -1.234 0.000 0.904 230 L HN 0.382 8.612 8.230 -0.000 0.000 0.435 231 E N 0.692 120.653 120.200 -0.398 0.000 2.072 231 E HA -0.260 4.090 4.350 -0.001 0.000 0.190 231 E C 2.217 178.782 176.600 -0.058 0.000 0.982 231 E CA 0.925 57.297 56.400 -0.046 0.000 0.803 231 E CB 0.128 29.893 29.700 0.109 0.000 0.755 231 E HN 0.270 8.630 8.360 -0.000 0.000 0.453 232 K N 0.719 121.063 120.400 -0.093 0.000 2.074 232 K HA -0.265 4.055 4.320 -0.001 0.000 0.209 232 K C 2.143 178.691 176.600 -0.088 0.000 1.048 232 K CA 1.895 58.136 56.287 -0.078 0.000 0.926 232 K CB -0.028 32.418 32.500 -0.090 0.000 0.713 232 K HN -0.117 8.133 8.250 -0.000 0.000 0.444 233 K N -0.463 119.855 120.400 -0.137 0.000 2.044 233 K HA 0.012 4.332 4.320 -0.001 0.000 0.204 233 K C 1.815 178.363 176.600 -0.086 0.000 1.049 233 K CA 1.704 57.919 56.287 -0.121 0.000 0.945 233 K CB -0.374 32.031 32.500 -0.159 0.000 0.724 233 K HN 0.275 8.525 8.250 -0.000 0.000 0.440 234 G N -1.041 107.697 108.800 -0.103 0.000 2.986 234 G HA2 0.306 4.266 3.960 -0.001 0.000 0.213 234 G HA3 0.306 4.266 3.960 -0.001 0.000 0.213 234 G C 0.722 175.679 174.900 0.095 0.000 1.156 234 G CA 0.287 45.394 45.100 0.013 0.000 0.763 234 G HN 0.647 8.937 8.290 -0.000 0.000 0.547 235 G N 1.544 110.387 108.800 0.072 0.000 2.594 235 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.297 235 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.297 235 G C 1.271 176.241 174.900 0.116 0.000 1.273 235 G CA 1.092 46.238 45.100 0.076 0.000 0.974 235 G HN 0.862 9.152 8.290 -0.000 0.000 0.552 236 K N 0.296 120.734 120.400 0.063 0.000 2.211 236 K HA 0.079 4.399 4.320 -0.001 0.000 0.203 236 K C 2.031 178.656 176.600 0.041 0.000 1.050 236 K CA 1.871 58.182 56.287 0.041 0.000 0.945 236 K CB -0.123 32.385 32.500 0.013 0.000 0.732 236 K HN 0.622 8.872 8.250 -0.000 0.000 0.451 237 E N 0.526 120.766 120.200 0.066 0.000 2.058 237 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 237 E C 1.809 178.495 176.600 0.144 0.000 0.997 237 E CA 1.505 57.958 56.400 0.087 0.000 0.801 237 E CB -0.246 29.516 29.700 0.103 0.000 0.746 237 E HN 0.397 8.757 8.360 -0.000 0.000 0.450 238 F N 1.393 121.361 119.950 0.030 0.000 2.075 238 F HA -0.208 4.319 4.527 -0.001 0.000 0.297 238 F C 2.190 177.996 175.800 0.009 0.000 1.113 238 F CA 1.103 59.115 58.000 0.019 0.000 1.218 238 F CB -0.503 38.487 39.000 -0.016 0.000 0.984 238 F HN -0.221 8.079 8.300 -0.000 0.000 0.472 239 V N 0.646 120.470 119.914 -0.149 0.000 2.343 239 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 239 V C 2.309 178.262 176.094 -0.234 0.000 1.051 239 V CA 2.372 64.520 62.300 -0.254 0.000 1.036 239 V CB -0.738 31.050 31.823 -0.058 0.000 0.654 239 V HN 0.366 8.556 8.190 -0.000 0.000 0.451 240 E N 0.102 120.227 120.200 -0.126 0.000 2.106 240 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 240 E C 2.315 178.846 176.600 -0.116 0.000 0.984 240 E CA 1.210 57.551 56.400 -0.098 0.000 0.806 240 E CB -0.335 29.337 29.700 -0.047 0.000 0.750 240 E HN 0.604 8.964 8.360 -0.000 0.000 0.458 241 A N 0.816 123.574 122.820 -0.104 0.000 1.933 241 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 241 A C 2.453 179.897 177.584 -0.233 0.000 1.175 241 A CA 1.116 53.103 52.037 -0.083 0.000 0.628 241 A CB -0.522 18.472 19.000 -0.010 0.000 0.814 241 A HN 0.120 8.270 8.150 -0.000 0.000 0.444 242 V N -0.360 119.316 119.914 -0.397 0.000 2.358 242 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 242 V C 2.451 178.286 176.094 -0.431 0.000 1.047 242 V CA 1.669 63.673 62.300 -0.493 0.000 1.035 242 V CB -0.699 30.787 31.823 -0.562 0.000 0.658 242 V HN 0.462 8.652 8.190 -0.000 0.000 0.452 243 L N -0.270 120.774 121.223 -0.298 0.000 2.056 243 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 243 L C 2.515 179.247 176.870 -0.230 0.000 1.078 243 L CA 1.652 56.356 54.840 -0.227 0.000 0.749 243 L CB -1.081 40.891 42.059 -0.145 0.000 0.901 243 L HN 0.292 8.522 8.230 -0.000 0.000 0.433 244 E N -0.638 119.444 120.200 -0.198 0.000 2.106 244 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 244 E C 2.223 178.693 176.600 -0.216 0.000 0.984 244 E CA 0.818 57.124 56.400 -0.157 0.000 0.806 244 E CB -0.387 29.259 29.700 -0.090 0.000 0.750 244 E HN 0.299 8.659 8.360 -0.000 0.000 0.458 245 L N 1.377 122.410 121.223 -0.316 0.000 2.056 245 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 245 L C 2.491 178.983 176.870 -0.630 0.000 1.078 245 L CA 1.687 56.282 54.840 -0.409 0.000 0.749 245 L CB -0.380 41.399 42.059 -0.467 0.000 0.901 245 L HN -0.055 8.175 8.230 -0.000 0.000 0.433 246 R N -0.191 119.800 120.500 -0.848 0.000 2.083 246 R HA -0.219 4.121 4.340 -0.001 0.000 0.237 246 R C 2.291 178.414 176.300 -0.296 0.000 1.137 246 R CA 2.077 57.718 56.100 -0.764 0.000 0.951 246 R CB -0.184 29.828 30.300 -0.479 0.000 0.851 246 R HN 0.385 8.655 8.270 -0.000 0.000 0.434 247 K N 0.309 120.582 120.400 -0.212 0.000 2.063 247 K HA -0.222 4.098 4.320 -0.001 0.000 0.208 247 K C 2.188 178.734 176.600 -0.089 0.000 1.048 247 K CA 1.873 58.093 56.287 -0.112 0.000 0.928 247 K CB -0.139 32.306 32.500 -0.092 0.000 0.713 247 K HN 0.175 8.425 8.250 -0.000 0.000 0.442 248 K N 1.206 121.536 120.400 -0.117 0.000 2.001 248 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 248 K C 1.947 178.521 176.600 -0.044 0.000 1.048 248 K CA 1.861 58.105 56.287 -0.072 0.000 0.932 248 K CB -0.099 32.355 32.500 -0.077 0.000 0.715 248 K HN -0.001 8.249 8.250 -0.000 0.000 0.437 249 N N -0.698 117.963 118.700 -0.064 0.000 2.270 249 N HA 0.006 4.745 4.740 -0.001 0.000 0.181 249 N C 0.295 175.853 175.510 0.079 0.000 1.016 249 N CA 1.131 54.200 53.050 0.032 0.000 0.870 249 N CB 0.261 38.810 38.487 0.104 0.000 0.979 249 N HN 0.480 8.860 8.380 -0.000 0.000 0.431 250 G N -0.647 108.190 108.800 0.062 0.000 2.750 250 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.228 250 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.228 250 G C -2.467 172.556 174.900 0.205 0.000 1.367 250 G CA -0.564 44.594 45.100 0.096 0.000 0.871 250 G HN 0.225 8.515 8.290 -0.000 0.000 0.560 251 P HA 0.285 4.705 4.420 -0.000 0.000 0.262 251 P C 0.098 177.469 177.300 0.118 0.000 1.182 251 P CA -0.202 62.985 63.100 0.145 0.000 0.761 251 P CB 0.505 32.249 31.700 0.073 0.000 0.795 252 L N 4.404 125.634 121.223 0.012 0.000 2.315 252 L HA 0.163 4.502 4.340 -0.001 0.000 0.283 252 L C 0.191 177.016 176.870 -0.075 0.000 1.089 252 L CA -0.297 54.481 54.840 -0.103 0.000 0.833 252 L CB -0.361 41.384 42.059 -0.522 0.000 1.170 252 L HN 0.292 8.522 8.230 -0.000 0.000 0.442 253 E N 3.370 123.558 120.200 -0.020 0.000 2.422 253 E HA 0.192 4.542 4.350 -0.001 0.000 0.260 253 E C -0.188 176.396 176.600 -0.027 0.000 1.108 253 E CA -0.566 55.826 56.400 -0.014 0.000 0.943 253 E CB 0.004 29.706 29.700 0.004 0.000 0.961 253 E HN 0.332 8.692 8.360 -0.000 0.000 0.443 254 V N 1.630 121.535 119.914 -0.015 0.000 2.673 254 V HA 0.205 4.324 4.120 -0.001 0.000 0.303 254 V C 1.249 177.342 176.094 -0.002 0.000 1.046 254 V CA 1.297 63.592 62.300 -0.008 0.000 1.126 254 V CB 0.036 31.862 31.823 0.006 0.000 0.934 254 V HN 0.951 9.141 8.190 -0.000 0.000 0.487 255 A N 3.277 126.096 122.820 -0.002 0.000 3.396 255 A HA -0.142 4.178 4.320 -0.001 0.000 0.267 255 A C 1.076 178.659 177.584 -0.000 0.000 1.139 255 A CA 0.841 52.879 52.037 0.002 0.000 1.115 255 A CB -2.050 16.957 19.000 0.011 0.000 1.133 255 A HN 1.789 9.939 8.150 -0.000 0.000 0.920 256 G N -1.149 107.646 108.800 -0.009 0.000 2.503 256 G HA2 0.701 4.660 3.960 -0.001 0.000 0.257 256 G HA3 0.701 4.660 3.960 -0.001 0.000 0.257 256 G C -0.036 174.863 174.900 -0.001 0.000 1.214 256 G CA 0.524 45.623 45.100 -0.002 0.000 0.839 256 G HN 2.000 10.290 8.290 -0.000 0.000 0.559 257 A N 0.006 122.844 122.820 0.030 0.000 2.454 257 A HA 0.974 5.294 4.320 -0.001 0.000 0.302 257 A C -0.194 177.456 177.584 0.111 0.000 1.079 257 A CA -0.096 51.975 52.037 0.058 0.000 0.731 257 A CB 1.895 20.919 19.000 0.040 0.000 1.299 257 A HN 2.119 10.269 8.150 -0.000 0.000 0.413 258 A N 0.127 123.066 122.820 0.199 0.000 2.572 258 A HA 0.774 5.093 4.320 -0.001 0.000 0.295 258 A C -1.465 176.312 177.584 0.322 0.000 1.072 258 A CA -0.442 51.750 52.037 0.258 0.000 0.691 258 A CB 1.475 20.703 19.000 0.381 0.000 1.291 258 A HN 2.065 10.215 8.150 -0.000 0.000 0.404 259 V N 1.594 121.649 119.914 0.235 0.000 2.604 259 V HA 0.799 4.919 4.120 -0.001 0.000 0.305 259 V C -0.099 176.144 176.094 0.248 0.000 1.043 259 V CA 0.279 62.715 62.300 0.227 0.000 0.888 259 V CB 1.988 33.852 31.823 0.067 0.000 0.995 259 V HN 1.604 9.794 8.190 -0.000 0.000 0.429 260 S N 5.545 121.437 115.700 0.320 0.000 2.607 260 S HA 0.905 5.375 4.470 -0.001 0.000 0.303 260 S C -0.041 174.677 174.600 0.198 0.000 1.086 260 S CA -0.245 58.082 58.200 0.212 0.000 0.995 260 S CB 1.811 65.127 63.200 0.194 0.000 1.084 260 S HN 1.679 9.989 8.310 -0.000 0.000 0.507 261 A N 0.704 123.519 122.820 -0.009 0.000 2.445 261 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 261 A C 0.974 178.306 177.584 -0.419 0.000 1.075 261 A CA -0.164 51.677 52.037 -0.328 0.000 0.777 261 A CB -0.601 18.062 19.000 -0.562 0.000 1.013 261 A HN 1.443 9.593 8.150 -0.000 0.000 0.493 262 G N 1.973 110.539 108.800 -0.391 0.000 3.401 262 G HA2 0.337 4.297 3.960 -0.001 0.000 0.251 262 G HA3 0.337 4.297 3.960 -0.001 0.000 0.251 262 G C 0.110 174.950 174.900 -0.099 0.000 0.960 262 G CA -0.341 44.658 45.100 -0.168 0.000 1.900 262 G HN 0.753 9.043 8.290 -0.000 0.000 0.645 263 H N 0.469 119.549 119.070 0.016 0.000 2.964 263 H HA 0.231 4.787 4.556 -0.001 0.000 0.328 263 H C 1.518 176.874 175.328 0.047 0.000 1.030 263 H CA 0.853 56.907 56.048 0.011 0.000 1.445 263 H CB 1.162 30.931 29.762 0.013 0.000 1.449 263 H HN 0.529 8.809 8.280 -0.000 0.000 0.581 264 G N 2.541 111.425 108.800 0.140 0.000 2.179 264 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.260 264 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.260 264 G C -0.005 174.908 174.900 0.022 0.000 0.977 264 G CA 0.275 45.420 45.100 0.076 0.000 0.641 264 G HN 0.513 8.803 8.290 -0.000 0.000 0.533 265 L N -0.927 120.300 121.223 0.006 0.000 2.354 265 L HA 0.488 4.828 4.340 -0.001 0.000 0.264 265 L C -1.271 175.569 176.870 -0.049 0.000 1.008 265 L CA -2.390 52.423 54.840 -0.046 0.000 0.819 265 L CB 1.918 43.935 42.059 -0.070 0.000 1.339 265 L HN -0.178 8.052 8.230 -0.000 0.000 0.420 266 P HA -0.108 4.312 4.420 -0.000 0.000 0.216 266 P C 0.169 177.437 177.300 -0.052 0.000 1.150 266 P CA 0.733 63.806 63.100 -0.045 0.000 0.837 266 P CB 0.136 31.812 31.700 -0.040 0.000 0.786 267 A N 0.077 122.858 122.820 -0.065 0.000 2.498 267 A HA 0.013 4.333 4.320 -0.001 0.000 0.239 267 A C 1.333 178.846 177.584 -0.119 0.000 1.068 267 A CA 0.147 52.145 52.037 -0.065 0.000 0.766 267 A CB 0.131 19.095 19.000 -0.061 0.000 1.003 267 A HN 0.078 8.228 8.150 -0.000 0.000 0.497 268 K N 0.432 120.750 120.400 -0.137 0.000 2.103 268 K HA 0.071 4.390 4.320 -0.001 0.000 0.204 268 K C -0.737 175.376 176.600 -0.811 0.000 1.052 268 K CA 1.110 57.155 56.287 -0.403 0.000 0.945 268 K CB -0.011 32.321 32.500 -0.280 0.000 0.722 268 K HN 0.649 8.899 8.250 -0.000 0.000 0.443 269 F N -0.735 119.188 119.950 -0.044 0.000 2.613 269 F HA 0.336 4.862 4.527 -0.001 0.000 0.310 269 F C -0.640 175.122 175.800 -0.064 0.000 1.085 269 F CA -1.299 56.671 58.000 -0.051 0.000 0.945 269 F CB 1.625 40.600 39.000 -0.043 0.000 1.298 269 F HN -0.450 7.850 8.300 -0.000 0.000 0.455 270 V N 3.532 123.527 119.914 0.134 0.000 2.448 270 V HA 0.462 4.581 4.120 -0.001 0.000 0.295 270 V C -0.322 175.693 176.094 -0.131 0.000 1.025 270 V CA -0.660 61.619 62.300 -0.035 0.000 0.859 270 V CB 1.782 33.596 31.823 -0.014 0.000 0.988 270 V HN 0.525 8.715 8.190 -0.000 0.000 0.431 271 I N 5.037 125.493 120.570 -0.191 0.000 2.355 271 I HA 0.406 4.576 4.170 -0.001 0.000 0.288 271 I C -0.257 175.761 176.117 -0.164 0.000 0.999 271 I CA -0.454 60.776 61.300 -0.117 0.000 1.163 271 I CB 0.789 38.723 38.000 -0.110 0.000 1.316 271 I HN 0.580 8.790 8.210 -0.000 0.000 0.454 272 H N 5.367 124.532 119.070 0.158 0.000 2.489 272 H HA 0.410 4.965 4.556 -0.001 0.000 0.322 272 H C -0.414 174.916 175.328 0.004 0.000 1.091 272 H CA -0.544 55.587 56.048 0.139 0.000 1.291 272 H CB 1.834 31.782 29.762 0.310 0.000 1.436 272 H HN 0.690 8.970 8.280 -0.000 0.000 0.480 273 C N 2.066 121.374 119.300 0.013 0.000 2.802 273 C HA 0.464 4.923 4.460 -0.001 0.000 0.307 273 C C 0.246 175.181 174.990 -0.092 0.000 1.222 273 C CA -1.158 57.843 59.018 -0.028 0.000 1.580 273 C CB 0.895 28.638 27.740 0.005 0.000 2.119 273 C HN 0.959 9.189 8.230 -0.000 0.000 0.479 274 N N 1.776 120.423 118.700 -0.089 0.000 2.706 274 N HA 0.277 5.017 4.740 -0.001 0.000 0.240 274 N C -0.191 175.296 175.510 -0.040 0.000 1.039 274 N CA 0.157 53.150 53.050 -0.095 0.000 0.888 274 N CB 0.829 39.237 38.487 -0.132 0.000 1.128 274 N HN 0.864 9.244 8.380 -0.000 0.000 0.512 275 S N 3.478 119.164 115.700 -0.024 0.000 2.573 275 S HA 0.221 4.690 4.470 -0.001 0.000 0.277 275 S C -2.069 172.564 174.600 0.056 0.000 1.346 275 S CA -1.002 57.197 58.200 -0.001 0.000 1.034 275 S CB 0.547 63.736 63.200 -0.019 0.000 0.879 275 S HN 0.481 8.791 8.310 -0.000 0.000 0.528 276 P HA 0.148 4.568 4.420 -0.000 0.000 0.273 276 P C -0.812 176.672 177.300 0.308 0.000 1.250 276 P CA -0.417 62.790 63.100 0.179 0.000 0.793 276 P CB 0.327 32.164 31.700 0.227 0.000 1.011 277 V N 1.324 121.373 119.914 0.225 0.000 2.539 277 V HA 0.148 4.267 4.120 -0.001 0.000 0.292 277 V C 0.546 176.726 176.094 0.143 0.000 1.045 277 V CA -0.808 61.628 62.300 0.227 0.000 0.945 277 V CB 1.089 32.979 31.823 0.112 0.000 0.993 277 V HN 0.636 8.826 8.190 -0.000 0.000 0.464 278 W N 4.401 125.600 121.300 -0.168 0.000 2.257 278 W HA 0.284 4.944 4.660 -0.001 0.000 0.337 278 W C 1.130 177.483 176.519 -0.277 0.000 1.321 278 W CA 1.245 58.263 57.345 -0.545 0.000 1.267 278 W CB 0.589 29.704 29.460 -0.575 0.000 1.187 278 W HN 0.969 9.149 8.180 -0.000 0.000 0.565 279 G N 3.041 111.127 108.800 -1.190 0.000 2.234 279 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 279 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 279 G C 0.332 174.978 174.900 -0.423 0.000 0.987 279 G CA 0.296 44.907 45.100 -0.814 0.000 0.625 279 G HN 1.231 9.521 8.290 -0.000 0.000 0.532 280 A N 0.416 123.059 122.820 -0.293 0.000 2.520 280 A HA 0.407 4.727 4.320 -0.001 0.000 0.235 280 A C 0.577 178.051 177.584 -0.184 0.000 1.065 280 A CA 0.655 52.594 52.037 -0.163 0.000 0.764 280 A CB 0.128 19.087 19.000 -0.069 0.000 1.002 280 A HN 0.449 8.599 8.150 -0.000 0.000 0.502 281 D N 0.659 120.984 120.400 -0.125 0.000 2.488 281 D HA 0.046 4.686 4.640 -0.001 0.000 0.238 281 D C 0.233 176.481 176.300 -0.088 0.000 1.138 281 D CA 0.871 54.804 54.000 -0.112 0.000 0.873 281 D CB 0.248 41.003 40.800 -0.075 0.000 1.183 281 D HN 0.589 8.959 8.370 -0.000 0.000 0.458 282 K N 0.965 121.309 120.400 -0.093 0.000 3.209 282 K HA -0.267 4.053 4.320 -0.001 0.000 0.289 282 K C 1.544 178.134 176.600 -0.017 0.000 1.191 282 K CA 0.755 57.013 56.287 -0.049 0.000 0.851 282 K CB -2.403 30.082 32.500 -0.025 0.000 1.242 282 K HN 0.676 8.926 8.250 -0.000 0.000 0.480 283 C N -0.954 118.311 119.300 -0.059 0.000 2.413 283 C HA -0.132 4.327 4.460 -0.001 0.000 0.277 283 C C 2.110 177.273 174.990 0.289 0.000 1.265 283 C CA 1.171 60.234 59.018 0.075 0.000 1.752 283 C CB -0.484 27.191 27.740 -0.110 0.000 1.998 283 C HN 0.491 8.721 8.230 -0.000 0.000 0.489 284 E N 1.126 121.440 120.200 0.190 0.000 2.047 284 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 284 E C 2.242 178.935 176.600 0.154 0.000 0.987 284 E CA 1.571 58.145 56.400 0.290 0.000 0.799 284 E CB -0.312 29.513 29.700 0.207 0.000 0.752 284 E HN 0.737 9.097 8.360 -0.000 0.000 0.449 285 E N 0.853 121.102 120.200 0.082 0.000 2.118 285 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 285 E C 2.178 178.806 176.600 0.046 0.000 0.992 285 E CA 0.812 57.240 56.400 0.048 0.000 0.804 285 E CB -0.088 29.627 29.700 0.025 0.000 0.741 285 E HN 0.220 8.580 8.360 -0.000 0.000 0.458 286 L N 0.372 121.634 121.223 0.064 0.000 2.141 286 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 286 L C 2.422 179.313 176.870 0.036 0.000 1.094 286 L CA 0.247 55.118 54.840 0.053 0.000 0.763 286 L CB -0.233 41.865 42.059 0.065 0.000 0.908 286 L HN 0.199 8.429 8.230 -0.000 0.000 0.437 287 L N 0.011 121.258 121.223 0.040 0.000 2.027 287 L HA -0.184 4.156 4.340 -0.001 0.000 0.206 287 L C 2.400 179.228 176.870 -0.071 0.000 1.074 287 L CA 1.751 56.540 54.840 -0.086 0.000 0.745 287 L CB -0.569 41.323 42.059 -0.277 0.000 0.898 287 L HN 0.211 8.441 8.230 -0.000 0.000 0.433 288 E N -0.374 119.808 120.200 -0.031 0.000 2.070 288 E HA -0.319 4.030 4.350 -0.001 0.000 0.197 288 E C 2.173 178.759 176.600 -0.023 0.000 1.004 288 E CA 1.641 58.022 56.400 -0.032 0.000 0.805 288 E CB -0.224 29.473 29.700 -0.005 0.000 0.744 288 E HN 0.467 8.827 8.360 -0.000 0.000 0.451 289 K N 0.461 120.860 120.400 -0.003 0.000 2.063 289 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 289 K C 2.152 178.752 176.600 -0.001 0.000 1.048 289 K CA 1.711 58.001 56.287 0.006 0.000 0.928 289 K CB -0.028 32.480 32.500 0.013 0.000 0.713 289 K HN 0.039 8.289 8.250 -0.000 0.000 0.442 290 T N 0.760 115.309 114.554 -0.009 0.000 2.665 290 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 290 T C 1.885 176.591 174.700 0.010 0.000 1.035 290 T CA 1.638 63.736 62.100 -0.003 0.000 1.151 290 T CB -0.295 68.563 68.868 -0.017 0.000 0.862 290 T HN 0.007 8.247 8.240 -0.000 0.000 0.438 291 V N 1.489 121.392 119.914 -0.018 0.000 2.343 291 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 291 V C 2.478 178.531 176.094 -0.067 0.000 1.051 291 V CA 1.655 63.936 62.300 -0.031 0.000 1.036 291 V CB -0.505 31.216 31.823 -0.170 0.000 0.654 291 V HN 0.487 8.677 8.190 -0.000 0.000 0.451 292 K N -0.042 120.310 120.400 -0.081 0.000 2.097 292 K HA -0.138 4.182 4.320 -0.001 0.000 0.205 292 K C 2.038 178.586 176.600 -0.087 0.000 1.050 292 K CA 1.385 57.608 56.287 -0.108 0.000 0.938 292 K CB -0.291 32.238 32.500 0.048 0.000 0.718 292 K HN 0.405 8.655 8.250 -0.000 0.000 0.442 293 N N 0.857 119.545 118.700 -0.021 0.000 2.166 293 N HA -0.132 4.608 4.740 -0.001 0.000 0.186 293 N C 1.799 177.296 175.510 -0.022 0.000 1.019 293 N CA 0.998 54.047 53.050 -0.002 0.000 0.856 293 N CB -0.506 37.989 38.487 0.014 0.000 0.993 293 N HN 0.207 8.587 8.380 -0.000 0.000 0.426 294 C N 0.662 119.953 119.300 -0.015 0.000 2.453 294 C HA 0.032 4.491 4.460 -0.001 0.000 0.277 294 C C 2.803 177.730 174.990 -0.106 0.000 1.262 294 C CA 0.118 59.119 59.018 -0.029 0.000 1.718 294 C CB -1.213 26.557 27.740 0.050 0.000 2.031 294 C HN 0.408 8.638 8.230 -0.000 0.000 0.480 295 L N 1.282 122.384 121.223 -0.201 0.000 2.079 295 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 295 L C 2.895 179.586 176.870 -0.300 0.000 1.081 295 L CA 1.617 56.197 54.840 -0.434 0.000 0.752 295 L CB -0.802 40.541 42.059 -1.194 0.000 0.896 295 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 296 A N 0.144 122.863 122.820 -0.168 0.000 1.902 296 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 296 A C 2.267 179.858 177.584 0.012 0.000 1.181 296 A CA 1.428 53.504 52.037 0.065 0.000 0.623 296 A CB -0.678 18.386 19.000 0.108 0.000 0.818 296 A HN 0.358 8.508 8.150 -0.000 0.000 0.443 297 L N -0.902 120.300 121.223 -0.035 0.000 2.046 297 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 297 L C 3.120 179.928 176.870 -0.104 0.000 1.077 297 L CA 1.120 55.924 54.840 -0.060 0.000 0.747 297 L CB -0.582 41.444 42.059 -0.054 0.000 0.896 297 L HN 0.461 8.691 8.230 -0.000 0.000 0.432 298 A N -0.416 122.345 122.820 -0.099 0.000 1.902 298 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 298 A C 1.990 179.544 177.584 -0.050 0.000 1.181 298 A CA 1.858 53.836 52.037 -0.099 0.000 0.623 298 A CB -0.512 18.442 19.000 -0.076 0.000 0.818 298 A HN 0.336 8.486 8.150 -0.000 0.000 0.443 299 D N 0.137 120.545 120.400 0.014 0.000 2.144 299 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 299 D C 1.237 177.548 176.300 0.018 0.000 0.984 299 D CA 1.260 55.300 54.000 0.067 0.000 0.834 299 D CB -0.335 40.572 40.800 0.179 0.000 0.955 299 D HN 0.357 8.727 8.370 -0.000 0.000 0.465 300 D N 0.507 120.899 120.400 -0.013 0.000 2.149 300 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 300 D C 1.477 177.731 176.300 -0.076 0.000 0.990 300 D CA 0.980 54.958 54.000 -0.037 0.000 0.839 300 D CB -0.045 40.723 40.800 -0.054 0.000 0.948 300 D HN 0.242 8.612 8.370 -0.000 0.000 0.460 301 K N 0.094 120.411 120.400 -0.139 0.000 2.417 301 K HA 0.110 4.429 4.320 -0.001 0.000 0.196 301 K C 0.018 176.564 176.600 -0.091 0.000 1.023 301 K CA -0.100 56.068 56.287 -0.199 0.000 1.122 301 K CB 0.459 32.659 32.500 -0.500 0.000 0.850 301 K HN -0.027 8.223 8.250 -0.000 0.000 0.521 302 K N 1.107 121.486 120.400 -0.035 0.000 3.071 302 K HA -0.185 4.134 4.320 -0.001 0.000 0.265 302 K C -0.528 176.086 176.600 0.024 0.000 1.060 302 K CA 0.319 56.611 56.287 0.009 0.000 0.767 302 K CB -1.675 30.834 32.500 0.016 0.000 1.241 302 K HN 0.235 8.485 8.250 -0.000 0.000 0.486 303 L N 0.989 122.219 121.223 0.013 0.000 2.417 303 L HA 0.104 4.444 4.340 -0.001 0.000 0.268 303 L C 1.791 178.692 176.870 0.051 0.000 1.158 303 L CA 0.096 54.962 54.840 0.043 0.000 0.819 303 L CB 0.576 42.651 42.059 0.027 0.000 1.112 303 L HN 0.253 8.483 8.230 -0.000 0.000 0.458 304 K N -0.052 120.382 120.400 0.055 0.000 2.354 304 K HA 0.147 4.466 4.320 -0.001 0.000 0.194 304 K C 0.077 176.690 176.600 0.021 0.000 1.038 304 K CA 0.023 56.334 56.287 0.040 0.000 1.052 304 K CB 0.642 33.166 32.500 0.041 0.000 0.861 304 K HN 0.590 8.840 8.250 -0.000 0.000 0.535 305 S N 0.276 115.996 115.700 0.033 0.000 2.537 305 S HA 0.618 5.087 4.470 -0.001 0.000 0.270 305 S C -1.059 173.541 174.600 -0.000 0.000 1.142 305 S CA -0.941 57.258 58.200 -0.002 0.000 0.870 305 S CB 1.769 65.017 63.200 0.081 0.000 1.112 305 S HN 0.280 8.590 8.310 -0.000 0.000 0.466 306 I N 1.031 121.563 120.570 -0.063 0.000 2.656 306 I HA 0.752 4.922 4.170 -0.001 0.000 0.292 306 I C -1.253 174.773 176.117 -0.151 0.000 1.144 306 I CA -0.902 60.318 61.300 -0.135 0.000 1.038 306 I CB 1.911 39.786 38.000 -0.208 0.000 1.244 306 I HN 1.084 9.294 8.210 -0.000 0.000 0.420 307 A N 6.929 129.633 122.820 -0.195 0.000 2.287 307 A HA 0.728 5.048 4.320 -0.001 0.000 0.317 307 A C -1.504 175.876 177.584 -0.341 0.000 1.220 307 A CA -0.270 51.679 52.037 -0.147 0.000 0.835 307 A CB 0.361 19.305 19.000 -0.094 0.000 1.180 307 A HN 0.551 8.701 8.150 -0.000 0.000 0.500 308 F N 4.314 124.145 119.950 -0.198 0.000 2.421 308 F HA 0.534 5.060 4.527 -0.001 0.000 0.337 308 F C -1.660 174.064 175.800 -0.127 0.000 1.105 308 F CA -1.775 56.148 58.000 -0.128 0.000 1.049 308 F CB 2.034 40.997 39.000 -0.062 0.000 1.139 308 F HN 0.418 8.718 8.300 -0.000 0.000 0.479 309 P HA 0.170 4.590 4.420 -0.000 0.000 0.317 309 P C -0.780 176.466 177.300 -0.090 0.000 1.307 309 P CA -0.580 62.436 63.100 -0.140 0.000 0.749 309 P CB 0.801 32.395 31.700 -0.176 0.000 1.377 310 S N -0.936 114.647 115.700 -0.195 0.000 2.548 310 S HA 0.417 4.887 4.470 -0.001 0.000 0.277 310 S C 0.007 174.607 174.600 -0.000 0.000 1.315 310 S CA -0.406 57.752 58.200 -0.071 0.000 1.050 310 S CB -0.782 62.398 63.200 -0.034 0.000 0.918 310 S HN 0.244 8.554 8.310 -0.000 0.000 0.497 311 I N 2.619 123.212 120.570 0.037 0.000 2.530 311 I HA 0.610 4.780 4.170 -0.001 0.000 0.297 311 I C 1.224 177.293 176.117 -0.081 0.000 1.011 311 I CA -0.115 61.184 61.300 -0.002 0.000 1.107 311 I CB 1.768 39.777 38.000 0.015 0.000 1.285 311 I HN 0.979 9.189 8.210 -0.000 0.000 0.436 312 G N 3.720 112.474 108.800 -0.076 0.000 2.454 312 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.225 312 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.225 312 G C 0.293 175.276 174.900 0.138 0.000 1.138 312 G CA 0.228 45.253 45.100 -0.126 0.000 0.667 312 G HN 0.776 9.066 8.290 -0.000 0.000 0.512 313 S N 0.706 116.453 115.700 0.079 0.000 2.617 313 S HA 0.716 5.186 4.470 -0.001 0.000 0.269 313 S C 1.482 176.128 174.600 0.077 0.000 1.292 313 S CA 0.939 59.197 58.200 0.098 0.000 1.010 313 S CB 1.712 64.940 63.200 0.046 0.000 0.944 313 S HN 2.532 10.841 8.310 -0.000 0.000 0.536 314 G N 2.552 111.387 108.800 0.057 0.000 2.652 314 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.278 314 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.278 314 G C 0.839 175.783 174.900 0.073 0.000 1.263 314 G CA 0.576 45.709 45.100 0.056 0.000 0.966 314 G HN 0.952 9.242 8.290 -0.000 0.000 0.544 315 R N 0.928 121.477 120.500 0.081 0.000 2.096 315 R HA -0.088 4.252 4.340 -0.001 0.000 0.240 315 R C 2.192 178.553 176.300 0.103 0.000 1.139 315 R CA 2.467 58.616 56.100 0.082 0.000 0.952 315 R CB -0.518 29.831 30.300 0.081 0.000 0.854 315 R HN 0.501 8.771 8.270 -0.000 0.000 0.436 316 N N -0.659 118.127 118.700 0.143 0.000 2.461 316 N HA 0.096 4.836 4.740 -0.001 0.000 0.188 316 N C 0.504 176.187 175.510 0.289 0.000 1.134 316 N CA 1.028 54.206 53.050 0.214 0.000 0.878 316 N CB 0.856 39.495 38.487 0.255 0.000 0.972 316 N HN 0.552 8.932 8.380 -0.000 0.000 0.456 317 G N -0.429 108.490 108.800 0.197 0.000 2.155 317 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.257 317 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.257 317 G C -0.071 174.815 174.900 -0.024 0.000 0.983 317 G CA -0.277 44.887 45.100 0.108 0.000 0.676 317 G HN 0.247 8.537 8.290 -0.000 0.000 0.528 318 F N 1.403 121.312 119.950 -0.068 0.000 2.518 318 F HA 0.416 4.943 4.527 -0.000 0.000 0.359 318 F C -1.143 174.361 175.800 -0.493 0.000 1.118 318 F CA -1.758 56.040 58.000 -0.337 0.000 1.287 318 F CB 0.460 39.412 39.000 -0.079 0.000 1.132 318 F HN -0.105 8.195 8.300 -0.000 0.000 0.587 319 P HA -0.004 4.416 4.420 -0.000 0.000 0.265 319 P C 0.313 177.513 177.300 -0.166 0.000 1.187 319 P CA 0.094 62.968 63.100 -0.376 0.000 0.766 319 P CB 0.596 32.027 31.700 -0.449 0.000 0.820 320 K N 2.094 122.424 120.400 -0.116 0.000 2.032 320 K HA -0.261 4.059 4.320 -0.001 0.000 0.209 320 K C 2.006 178.533 176.600 -0.122 0.000 1.048 320 K CA 2.022 58.268 56.287 -0.068 0.000 0.927 320 K CB -0.126 32.350 32.500 -0.040 0.000 0.712 320 K HN 0.546 8.796 8.250 -0.000 0.000 0.441 321 Q N 0.583 120.299 119.800 -0.140 0.000 2.079 321 Q HA -0.118 4.222 4.340 -0.001 0.000 0.200 321 Q C 1.712 177.613 176.000 -0.165 0.000 0.974 321 Q CA 2.300 58.000 55.803 -0.172 0.000 0.840 321 Q CB -0.326 28.334 28.738 -0.130 0.000 0.898 321 Q HN 0.081 8.351 8.270 -0.000 0.000 0.430 322 T N 0.543 115.028 114.554 -0.115 0.000 2.746 322 T HA -0.070 4.280 4.350 -0.001 0.000 0.267 322 T C 1.876 176.580 174.700 0.007 0.000 1.039 322 T CA 1.361 63.442 62.100 -0.031 0.000 1.142 322 T CB -0.587 68.263 68.868 -0.031 0.000 0.866 322 T HN 0.521 8.761 8.240 -0.000 0.000 0.444 323 A N 1.479 124.292 122.820 -0.012 0.000 1.898 323 A HA 0.191 4.511 4.320 -0.001 0.000 0.216 323 A C 2.657 180.129 177.584 -0.186 0.000 1.181 323 A CA 1.783 53.762 52.037 -0.097 0.000 0.620 323 A CB -1.139 17.798 19.000 -0.105 0.000 0.819 323 A HN 0.496 8.646 8.150 -0.000 0.000 0.442 324 A N -0.719 121.897 122.820 -0.340 0.000 1.883 324 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 324 A C 2.238 179.545 177.584 -0.462 0.000 1.186 324 A CA 1.905 53.505 52.037 -0.727 0.000 0.624 324 A CB -0.622 17.607 19.000 -1.285 0.000 0.822 324 A HN 0.608 8.758 8.150 -0.000 0.000 0.444 325 Q N 0.007 119.623 119.800 -0.306 0.000 2.061 325 Q HA -0.180 4.160 4.340 -0.001 0.000 0.204 325 Q C 2.094 178.016 176.000 -0.131 0.000 0.984 325 Q CA 1.985 57.673 55.803 -0.191 0.000 0.846 325 Q CB -0.340 28.328 28.738 -0.117 0.000 0.902 325 Q HN 0.678 8.948 8.270 -0.000 0.000 0.421 326 L N 0.219 121.386 121.223 -0.093 0.000 2.046 326 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 326 L C 2.641 179.454 176.870 -0.094 0.000 1.077 326 L CA 0.839 55.646 54.840 -0.055 0.000 0.747 326 L CB -0.367 41.690 42.059 -0.004 0.000 0.896 326 L HN 0.219 8.449 8.230 -0.000 0.000 0.432 327 I N -0.426 120.061 120.570 -0.139 0.000 2.226 327 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 327 I C 2.408 178.451 176.117 -0.123 0.000 1.100 327 I CA 1.380 62.589 61.300 -0.152 0.000 1.374 327 I CB -0.189 37.735 38.000 -0.126 0.000 1.057 327 I HN 0.202 8.412 8.210 -0.000 0.000 0.413 328 L N 0.488 121.632 121.223 -0.132 0.000 2.056 328 L HA -0.222 4.118 4.340 -0.001 0.000 0.207 328 L C 2.648 179.504 176.870 -0.024 0.000 1.078 328 L CA 1.351 56.145 54.840 -0.076 0.000 0.749 328 L CB -0.566 41.400 42.059 -0.154 0.000 0.901 328 L HN 0.220 8.450 8.230 -0.000 0.000 0.433 329 K N 0.521 120.894 120.400 -0.045 0.000 2.044 329 K HA -0.248 4.072 4.320 -0.001 0.000 0.210 329 K C 2.085 178.683 176.600 -0.004 0.000 1.049 329 K CA 1.644 57.922 56.287 -0.016 0.000 0.927 329 K CB -0.124 32.362 32.500 -0.023 0.000 0.713 329 K HN 0.278 8.528 8.250 -0.000 0.000 0.443 330 A N 1.188 123.990 122.820 -0.030 0.000 1.877 330 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 330 A C 2.125 179.690 177.584 -0.032 0.000 1.186 330 A CA 1.579 53.596 52.037 -0.034 0.000 0.620 330 A CB -0.526 18.429 19.000 -0.074 0.000 0.822 330 A HN 0.367 8.517 8.150 -0.000 0.000 0.443 331 I N -0.943 119.598 120.570 -0.049 0.000 2.202 331 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 331 I C 2.841 179.012 176.117 0.091 0.000 1.091 331 I CA 1.462 62.733 61.300 -0.049 0.000 1.368 331 I CB -0.264 37.766 38.000 0.050 0.000 1.058 331 I HN 0.392 8.602 8.210 -0.000 0.000 0.410 332 S N -0.201 115.593 115.700 0.156 0.000 2.370 332 S HA -0.256 4.214 4.470 -0.001 0.000 0.226 332 S C 2.275 176.976 174.600 0.168 0.000 1.033 332 S CA 2.174 60.499 58.200 0.208 0.000 1.011 332 S CB -0.336 62.944 63.200 0.134 0.000 0.852 332 S HN 0.461 8.771 8.310 -0.000 0.000 0.457 333 S N -0.821 114.935 115.700 0.093 0.000 2.368 333 S HA -0.124 4.346 4.470 -0.001 0.000 0.224 333 S C 1.658 176.297 174.600 0.065 0.000 1.029 333 S CA 1.347 59.587 58.200 0.067 0.000 0.988 333 S CB -0.733 62.490 63.200 0.038 0.000 0.838 333 S HN 0.749 9.059 8.310 -0.000 0.000 0.462 334 Y N 0.966 121.196 120.300 -0.117 0.000 2.128 334 Y HA -0.156 4.394 4.550 -0.001 0.000 0.284 334 Y C 1.682 177.489 175.900 -0.156 0.000 1.154 334 Y CA 2.092 60.066 58.100 -0.210 0.000 1.149 334 Y CB -0.544 37.665 38.460 -0.418 0.000 0.976 334 Y HN 0.329 8.609 8.280 -0.000 0.000 0.505 335 F N -1.362 118.711 119.950 0.206 0.000 2.186 335 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 335 F C 2.580 178.407 175.800 0.045 0.000 1.090 335 F CA 1.304 59.373 58.000 0.114 0.000 1.307 335 F CB -1.270 37.832 39.000 0.170 0.000 1.019 335 F HN -0.002 8.298 8.300 -0.000 0.000 0.489 336 V N -1.229 118.831 119.914 0.243 0.000 2.759 336 V HA -0.195 3.925 4.120 -0.001 0.000 0.256 336 V C 1.892 178.036 176.094 0.083 0.000 1.080 336 V CA 2.184 64.600 62.300 0.194 0.000 1.101 336 V CB -0.408 31.505 31.823 0.149 0.000 0.698 336 V HN 0.310 8.500 8.190 -0.000 0.000 0.477 337 S N -0.827 114.866 115.700 -0.013 0.000 2.524 337 S HA 0.092 4.562 4.470 -0.001 0.000 0.216 337 S C 0.853 175.359 174.600 -0.157 0.000 0.987 337 S CA 0.615 58.764 58.200 -0.086 0.000 0.909 337 S CB 0.349 63.479 63.200 -0.115 0.000 0.781 337 S HN 0.647 8.957 8.310 -0.000 0.000 0.521 338 T N 2.840 117.271 114.554 -0.206 0.000 3.327 338 T HA 0.285 4.634 4.350 -0.001 0.000 0.373 338 T C 0.753 175.415 174.700 -0.064 0.000 1.589 338 T CA -0.392 61.552 62.100 -0.260 0.000 1.497 338 T CB 0.648 69.084 68.868 -0.721 0.000 1.032 338 T HN 0.022 8.262 8.240 -0.000 0.000 0.640 339 M N 1.122 120.707 119.600 -0.025 0.000 2.279 339 M HA -0.041 4.439 4.480 -0.001 0.000 0.264 339 M C 2.210 178.521 176.300 0.017 0.000 1.062 339 M CA 1.147 56.455 55.300 0.012 0.000 1.099 339 M CB -1.154 31.450 32.600 0.007 0.000 1.394 339 M HN 0.522 8.812 8.290 -0.000 0.000 0.426 340 S N -1.422 114.284 115.700 0.010 0.000 2.562 340 S HA 0.043 4.512 4.470 -0.001 0.000 0.221 340 S C 1.084 175.719 174.600 0.058 0.000 0.975 340 S CA -0.161 58.052 58.200 0.022 0.000 0.918 340 S CB -0.339 62.866 63.200 0.008 0.000 0.772 340 S HN 0.384 8.694 8.310 -0.000 0.000 0.531 341 S N 2.411 118.172 115.700 0.101 0.000 2.552 341 S HA 0.122 4.591 4.470 -0.001 0.000 0.289 341 S C 1.306 176.000 174.600 0.157 0.000 1.304 341 S CA 0.099 58.423 58.200 0.206 0.000 1.063 341 S CB 0.419 63.877 63.200 0.429 0.000 0.848 341 S HN 0.569 8.879 8.310 -0.000 0.000 0.499 342 S N 4.524 120.313 115.700 0.149 0.000 2.503 342 S HA 0.208 4.677 4.470 -0.001 0.000 0.217 342 S C 0.542 175.195 174.600 0.087 0.000 0.999 342 S CA -0.231 58.021 58.200 0.088 0.000 0.914 342 S CB -0.405 62.835 63.200 0.067 0.000 0.782 342 S HN 0.703 9.013 8.310 -0.000 0.000 0.520 343 I N 2.748 123.419 120.570 0.169 0.000 2.517 343 I HA 0.145 4.315 4.170 -0.001 0.000 0.285 343 I C 1.156 177.257 176.117 -0.026 0.000 1.106 343 I CA -0.313 61.069 61.300 0.137 0.000 1.402 343 I CB 0.731 38.922 38.000 0.318 0.000 1.399 343 I HN 0.018 8.228 8.210 -0.000 0.000 0.535 344 K N 3.601 123.959 120.400 -0.071 0.000 2.335 344 K HA 0.216 4.535 4.320 -0.001 0.000 0.195 344 K C 0.159 176.642 176.600 -0.195 0.000 1.058 344 K CA 0.593 56.794 56.287 -0.143 0.000 0.988 344 K CB 0.490 32.942 32.500 -0.081 0.000 0.880 344 K HN 0.530 8.780 8.250 -0.000 0.000 0.513 345 T N 1.035 115.470 114.554 -0.198 0.000 2.928 345 T HA 0.394 4.744 4.350 -0.001 0.000 0.296 345 T C -0.939 173.517 174.700 -0.407 0.000 1.000 345 T CA -0.558 61.334 62.100 -0.347 0.000 0.989 345 T CB 2.656 71.238 68.868 -0.477 0.000 1.005 345 T HN -0.318 7.922 8.240 -0.000 0.000 0.442 346 V N 3.977 123.649 119.914 -0.403 0.000 2.409 346 V HA 0.444 4.563 4.120 -0.001 0.000 0.291 346 V C -1.124 174.584 176.094 -0.643 0.000 1.020 346 V CA -0.918 61.157 62.300 -0.375 0.000 0.848 346 V CB 0.737 32.477 31.823 -0.139 0.000 0.990 346 V HN 0.837 9.027 8.190 -0.000 0.000 0.430 347 Y N 4.086 124.162 120.300 -0.374 0.000 2.323 347 Y HA 0.601 5.151 4.550 -0.000 0.000 0.331 347 Y C -0.245 175.288 175.900 -0.612 0.000 1.092 347 Y CA -0.560 57.291 58.100 -0.414 0.000 1.150 347 Y CB 1.324 39.559 38.460 -0.375 0.000 1.200 347 Y HN 0.510 8.790 8.280 -0.000 0.000 0.472 348 F N 2.245 122.252 119.950 0.095 0.000 2.388 348 F HA 0.487 5.013 4.527 -0.001 0.000 0.358 348 F C -0.555 175.168 175.800 -0.128 0.000 1.122 348 F CA -1.119 56.837 58.000 -0.073 0.000 1.056 348 F CB 1.068 39.955 39.000 -0.189 0.000 1.155 348 F HN 0.066 8.366 8.300 -0.000 0.000 0.461 349 V N 5.896 125.779 119.914 -0.051 0.000 2.326 349 V HA 0.464 4.584 4.120 -0.001 0.000 0.281 349 V C -0.172 175.768 176.094 -0.256 0.000 1.015 349 V CA -0.596 61.646 62.300 -0.097 0.000 0.823 349 V CB 1.191 32.965 31.823 -0.083 0.000 1.009 349 V HN 0.569 8.759 8.190 -0.000 0.000 0.436 350 L N 3.724 124.832 121.223 -0.191 0.000 2.333 350 L HA 0.598 4.938 4.340 -0.001 0.000 0.269 350 L C 0.241 177.091 176.870 -0.033 0.000 1.010 350 L CA -0.508 54.150 54.840 -0.304 0.000 0.818 350 L CB 1.987 43.925 42.059 -0.203 0.000 1.306 350 L HN 0.400 8.630 8.230 -0.000 0.000 0.430 351 F N -0.925 119.019 119.950 -0.009 0.000 2.505 351 F HA 0.085 4.611 4.527 -0.001 0.000 0.289 351 F C 1.013 176.818 175.800 0.009 0.000 1.101 351 F CA -0.607 57.392 58.000 -0.001 0.000 1.446 351 F CB -0.044 38.956 39.000 0.001 0.000 1.123 351 F HN 0.444 8.744 8.300 -0.000 0.000 0.564 352 D N -1.179 119.320 120.400 0.165 0.000 2.269 352 D HA 0.170 4.810 4.640 -0.001 0.000 0.244 352 D C 0.581 176.927 176.300 0.077 0.000 0.992 352 D CA -0.233 53.833 54.000 0.110 0.000 0.894 352 D CB 2.058 42.913 40.800 0.092 0.000 1.248 352 D HN -0.188 8.182 8.370 -0.000 0.000 0.468 353 S N 0.731 116.472 115.700 0.067 0.000 2.370 353 S HA -0.215 4.255 4.470 -0.001 0.000 0.226 353 S C 1.558 176.188 174.600 0.051 0.000 1.033 353 S CA 1.206 59.439 58.200 0.056 0.000 1.011 353 S CB -0.246 62.983 63.200 0.047 0.000 0.852 353 S HN 0.681 8.991 8.310 -0.000 0.000 0.457 354 E N 0.990 121.217 120.200 0.046 0.000 2.058 354 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 354 E C 2.016 178.649 176.600 0.054 0.000 0.997 354 E CA 1.376 57.799 56.400 0.039 0.000 0.801 354 E CB -0.088 29.630 29.700 0.030 0.000 0.746 354 E HN 0.406 8.766 8.360 -0.000 0.000 0.450 355 S N 0.525 116.267 115.700 0.069 0.000 2.356 355 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 355 S C 1.994 176.689 174.600 0.158 0.000 1.032 355 S CA 1.043 59.313 58.200 0.117 0.000 1.005 355 S CB -0.240 62.997 63.200 0.061 0.000 0.867 355 S HN 0.271 8.581 8.310 -0.000 0.000 0.449 356 I N 1.581 122.204 120.570 0.090 0.000 2.118 356 I HA -0.221 3.949 4.170 -0.001 0.000 0.241 356 I C 2.716 178.895 176.117 0.103 0.000 1.070 356 I CA 1.356 62.711 61.300 0.092 0.000 1.327 356 I CB -0.947 37.096 38.000 0.072 0.000 1.034 356 I HN 0.384 8.594 8.210 -0.000 0.000 0.405 357 G N 0.972 109.815 108.800 0.071 0.000 2.446 357 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 357 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 357 G C 1.687 176.605 174.900 0.029 0.000 1.168 357 G CA 0.938 46.065 45.100 0.045 0.000 0.771 357 G HN 0.345 8.635 8.290 -0.000 0.000 0.551 358 I N -0.916 119.672 120.570 0.030 0.000 2.179 358 I HA -0.169 4.001 4.170 -0.001 0.000 0.242 358 I C 2.495 178.540 176.117 -0.120 0.000 1.088 358 I CA 1.051 62.320 61.300 -0.052 0.000 1.357 358 I CB -0.244 37.715 38.000 -0.068 0.000 1.051 358 I HN 0.119 8.329 8.210 -0.000 0.000 0.409 359 Y N 0.428 120.662 120.300 -0.110 0.000 2.242 359 Y HA -0.201 4.348 4.550 -0.001 0.000 0.291 359 Y C 2.560 178.376 175.900 -0.140 0.000 1.137 359 Y CA 1.796 59.786 58.100 -0.183 0.000 1.181 359 Y CB -0.581 37.749 38.460 -0.216 0.000 0.989 359 Y HN 0.094 8.374 8.280 -0.000 0.000 0.527 360 V N -1.732 118.225 119.914 0.073 0.000 2.515 360 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 360 V C 1.950 178.042 176.094 -0.002 0.000 1.058 360 V CA 2.046 64.373 62.300 0.044 0.000 1.064 360 V CB -0.753 31.105 31.823 0.058 0.000 0.675 360 V HN 0.438 8.628 8.190 -0.000 0.000 0.461 361 Q N -0.357 119.426 119.800 -0.028 0.000 2.083 361 Q HA -0.167 4.172 4.340 -0.001 0.000 0.198 361 Q C 2.380 178.334 176.000 -0.078 0.000 0.969 361 Q CA 1.616 57.393 55.803 -0.044 0.000 0.838 361 Q CB -0.013 28.696 28.738 -0.048 0.000 0.900 361 Q HN 0.668 8.938 8.270 -0.000 0.000 0.436 362 E N 0.415 120.531 120.200 -0.140 0.000 2.106 362 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 362 E C 1.802 178.318 176.600 -0.140 0.000 0.984 362 E CA 0.911 57.202 56.400 -0.181 0.000 0.806 362 E CB -0.217 29.290 29.700 -0.322 0.000 0.750 362 E HN 0.434 8.794 8.360 -0.000 0.000 0.458 363 M N 0.127 119.654 119.600 -0.121 0.000 2.175 363 M HA -0.094 4.386 4.480 -0.001 0.000 0.264 363 M C 2.084 178.375 176.300 -0.014 0.000 1.063 363 M CA 1.393 56.658 55.300 -0.059 0.000 1.119 363 M CB 0.008 32.600 32.600 -0.013 0.000 1.377 363 M HN 0.080 8.370 8.290 -0.000 0.000 0.415 364 A N 0.460 123.272 122.820 -0.013 0.000 1.933 364 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 364 A C 1.989 179.569 177.584 -0.006 0.000 1.175 364 A CA 1.737 53.774 52.037 0.001 0.000 0.628 364 A CB -0.584 18.416 19.000 0.000 0.000 0.814 364 A HN 0.529 8.679 8.150 -0.000 0.000 0.444 365 K N -0.571 119.814 120.400 -0.025 0.000 2.280 365 K HA 0.035 4.355 4.320 -0.001 0.000 0.202 365 K C 0.516 177.107 176.600 -0.015 0.000 1.047 365 K CA 0.166 56.438 56.287 -0.025 0.000 0.942 365 K CB -0.369 32.105 32.500 -0.043 0.000 0.739 365 K HN 0.453 8.703 8.250 -0.000 0.000 0.457 366 L N 0.000 121.218 121.223 -0.008 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 366 L CA 0.000 54.846 54.840 0.011 0.000 0.813 366 L CB 0.000 42.077 42.059 0.030 0.000 0.961 366 L HN 0.000 8.230 8.230 -0.000 0.000 0.502