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 3c5n_1_B DATA FIRST_RESID 238 DATA SEQUENCE PREFVLRPAP QGRTVRCRLT RDKXXXXXXX YPSYFLHLDT EKKVFLLAGR DATA SEQUENCE KRKRSKTANY LISIDPTXXX XXXXNFIGKL RSNLLGNRFT VFDNGQNPQR DATA SEQUENCE GYSTNVASLR QELAAVIYET NVLGFRGPRR MTVIIPGMSA ENERVPIRPR DATA SEQUENCE NASDGLLVRW QNKTLESLIE LHNKPPVXXX XXXXXXLNFQ GRVTQASVKN DATA SEQUENCE FQIVHADDPD YIVLQFGRVA EDAFTLDYRY PLCALQAFAI ALSSFD 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 238 P HA 0.000 4.489 4.420 0.115 0.000 0.216 238 P C 0.000 177.377 177.300 0.128 0.000 1.155 238 P CA 0.000 63.171 63.100 0.119 0.000 0.800 238 P CB 0.000 31.740 31.700 0.067 0.000 0.726 239 R N -0.275 120.277 120.500 0.087 0.000 2.127 239 R HA -0.348 4.025 4.340 0.055 0.000 0.238 239 R C 1.269 177.605 176.300 0.060 0.000 1.134 239 R CA 3.242 59.380 56.100 0.063 0.000 0.975 239 R CB -0.112 30.217 30.300 0.048 0.000 0.865 239 R HN 0.322 8.640 8.270 0.079 0.000 0.447 240 E N -1.542 118.707 120.200 0.082 0.000 2.076 240 E HA -0.170 4.203 4.350 0.039 0.000 0.190 240 E C 1.962 178.616 176.600 0.090 0.000 0.979 240 E CA 1.995 58.437 56.400 0.070 0.000 0.807 240 E CB -0.379 29.363 29.700 0.071 0.000 0.761 240 E HN 0.049 8.512 8.360 0.092 -0.048 0.454 241 F N 0.221 120.176 119.950 0.007 0.000 2.126 241 F HA -0.318 4.227 4.527 0.029 0.000 0.299 241 F C 1.216 177.023 175.800 0.011 0.000 1.096 241 F CA 2.798 60.808 58.000 0.017 0.000 1.255 241 F CB 0.171 39.181 39.000 0.016 0.000 0.997 241 F HN -0.351 8.149 8.300 0.282 -0.031 0.479 242 V N -5.560 114.415 119.914 0.101 0.000 3.217 242 V HA -0.277 3.804 4.120 -0.066 0.000 0.264 242 V C -0.093 175.924 176.094 -0.129 0.000 1.135 242 V CA 2.463 64.747 62.300 -0.027 0.000 1.142 242 V CB -0.102 31.723 31.823 0.003 0.000 0.754 242 V HN -0.336 7.957 8.190 0.171 0.000 0.484 243 L N -3.111 118.051 121.223 -0.101 0.000 2.585 243 L HA 0.148 4.421 4.340 -0.112 0.000 0.226 243 L C -0.532 176.271 176.870 -0.112 0.000 1.113 243 L CA -1.173 53.607 54.840 -0.100 0.000 0.876 243 L CB -0.031 41.992 42.059 -0.059 0.000 1.072 243 L HN -0.765 7.390 8.230 -0.065 0.037 0.468 244 R N 0.883 121.289 120.500 -0.156 0.000 2.298 244 R HA 0.163 4.461 4.340 -0.069 0.000 0.310 244 R C -2.193 174.044 176.300 -0.105 0.000 1.068 244 R CA -2.192 53.831 56.100 -0.127 0.000 0.957 244 R CB 0.467 30.674 30.300 -0.155 0.000 1.003 244 R HN -0.851 7.180 8.270 -0.204 0.117 0.454 245 P HA -0.233 4.358 4.420 0.025 -0.156 0.266 245 P C -0.912 176.476 177.300 0.146 0.000 1.195 245 P CA 0.109 63.252 63.100 0.072 0.000 0.768 245 P CB 0.420 32.217 31.700 0.162 0.000 0.838 246 A N 4.930 127.884 122.820 0.223 0.000 2.555 246 A HA -0.069 4.298 4.320 0.079 0.000 0.233 246 A C -1.853 175.839 177.584 0.180 0.000 1.060 246 A CA -0.650 51.489 52.037 0.170 0.000 0.759 246 A CB -0.816 18.267 19.000 0.137 0.000 0.995 246 A HN 0.025 8.333 8.150 0.265 0.000 0.506 247 P HA -0.022 4.410 4.420 0.021 0.000 0.268 247 P C -0.804 176.510 177.300 0.023 0.000 1.205 247 P CA -0.514 62.608 63.100 0.037 0.000 0.771 247 P CB 0.562 32.277 31.700 0.024 0.000 0.858 248 Q N 2.203 121.957 119.800 -0.076 0.000 2.304 248 Q HA -0.392 3.898 4.340 -0.083 0.000 0.301 248 Q C 1.608 177.606 176.000 -0.004 0.000 1.063 248 Q CA 1.897 57.641 55.803 -0.098 0.000 0.947 248 Q CB 0.074 28.688 28.738 -0.206 0.000 1.201 248 Q HN 0.166 8.360 8.270 -0.126 0.000 0.389 249 G N 2.708 111.546 108.800 0.063 0.000 2.205 249 G HA2 -0.342 3.683 3.960 0.108 0.000 0.261 249 G HA3 -0.342 3.642 3.960 0.039 0.000 0.261 249 G C -0.319 174.613 174.900 0.053 0.000 0.980 249 G CA 0.030 45.172 45.100 0.070 0.000 0.632 249 G HN 0.533 8.892 8.290 0.115 0.000 0.533 250 R N 0.916 121.441 120.500 0.042 0.000 2.643 250 R HA 0.328 4.667 4.340 -0.001 0.000 0.272 250 R C -0.969 175.309 176.300 -0.036 0.000 0.995 250 R CA -1.589 54.513 56.100 0.002 0.000 1.032 250 R CB 1.651 31.949 30.300 -0.004 0.000 1.126 250 R HN -0.383 7.861 8.270 0.056 0.060 0.505 251 T N 2.618 117.128 114.554 -0.072 0.000 2.786 251 T HA 0.341 4.733 4.350 -0.154 -0.134 0.283 251 T C -0.694 173.904 174.700 -0.170 0.000 0.992 251 T CA -0.618 61.406 62.100 -0.126 0.000 0.954 251 T CB 1.384 70.198 68.868 -0.090 0.000 0.934 251 T HN 0.136 8.343 8.240 -0.056 0.000 0.440 252 V N 8.494 128.197 119.914 -0.353 0.000 2.368 252 V HA 0.049 4.043 4.120 -0.210 0.000 0.266 252 V C -1.361 174.584 176.094 -0.249 0.000 1.045 252 V CA -0.563 61.499 62.300 -0.396 0.000 0.899 252 V CB 0.481 31.761 31.823 -0.905 0.000 1.006 252 V HN 0.707 8.605 8.190 -0.486 0.000 0.470 253 R N 7.386 127.842 120.500 -0.074 0.000 2.265 253 R HA 0.440 4.967 4.340 0.027 -0.171 0.319 253 R C -0.519 175.826 176.300 0.075 0.000 1.006 253 R CA -0.776 55.332 56.100 0.013 0.000 0.880 253 R CB 1.155 31.464 30.300 0.015 0.000 1.077 253 R HN 0.425 8.662 8.270 -0.055 0.000 0.454 254 C N 2.001 121.382 119.300 0.135 0.000 2.971 254 C HA 0.752 5.497 4.460 0.156 -0.192 0.310 254 C C -1.555 173.553 174.990 0.198 0.000 1.285 254 C CA -2.251 56.873 59.018 0.177 0.000 1.593 254 C CB 4.721 32.598 27.740 0.230 0.000 2.076 254 C HN 0.334 8.795 8.230 0.148 -0.142 0.472 255 R N 1.470 122.104 120.500 0.222 0.000 2.437 255 R HA 0.575 5.200 4.340 0.239 -0.141 0.310 255 R C -2.326 174.185 176.300 0.352 0.000 0.955 255 R CA -1.498 54.752 56.100 0.250 0.000 0.851 255 R CB 3.194 33.607 30.300 0.189 0.000 1.161 255 R HN 0.549 8.954 8.270 0.225 0.000 0.446 256 L N 8.371 129.861 121.223 0.444 0.000 2.305 256 L HA 0.946 5.813 4.340 0.507 -0.223 0.284 256 L C -2.049 175.189 176.870 0.613 0.000 1.013 256 L CA -1.547 53.627 54.840 0.557 0.000 0.819 256 L CB 3.262 45.724 42.059 0.672 0.000 1.227 256 L HN 0.626 9.128 8.230 0.453 0.000 0.417 257 T N 8.682 123.574 114.554 0.564 0.000 2.797 257 T HA 0.515 5.307 4.350 0.468 -0.161 0.279 257 T C -1.834 173.141 174.700 0.458 0.000 0.991 257 T CA -0.576 61.821 62.100 0.494 0.000 0.979 257 T CB 1.923 71.043 68.868 0.421 0.000 0.943 257 T HN 0.647 9.234 8.240 0.580 0.000 0.444 258 R N 6.388 127.102 120.500 0.356 0.000 2.346 258 R HA 0.530 4.912 4.340 -0.192 -0.157 0.311 258 R C -1.264 175.081 176.300 0.075 0.000 0.983 258 R CA -1.205 54.923 56.100 0.048 0.000 0.880 258 R CB 2.144 32.487 30.300 0.072 0.000 1.100 258 R HN 0.284 8.802 8.270 0.414 0.000 0.453 259 D N 7.027 127.432 120.400 0.009 0.000 2.441 259 D HA 0.287 4.988 4.640 0.102 0.000 0.231 259 D C -1.094 175.204 176.300 -0.004 0.000 1.073 259 D CA -1.371 52.684 54.000 0.092 0.000 0.850 259 D CB 1.460 42.415 40.800 0.258 0.000 1.062 259 D HN 0.346 8.649 8.370 -0.112 0.000 0.524 269 P HA 0.101 4.584 4.420 -0.051 -0.094 0.272 269 P C -1.126 176.064 177.300 -0.182 0.000 1.230 269 P CA -0.532 62.525 63.100 -0.073 0.000 0.788 269 P CB 1.010 32.605 31.700 -0.176 0.000 0.949 270 S N -0.059 115.464 115.700 -0.294 0.000 2.593 270 S HA 0.533 5.010 4.470 -0.183 -0.117 0.297 270 S C -1.047 173.118 174.600 -0.725 0.000 1.112 270 S CA -0.472 57.521 58.200 -0.344 0.000 1.043 270 S CB 2.878 65.965 63.200 -0.188 0.000 1.054 270 S HN -0.144 8.026 8.310 -0.233 0.000 0.516 271 Y N -0.173 119.832 120.300 -0.492 0.000 2.442 271 Y HA 0.579 5.191 4.550 -0.178 -0.168 0.344 271 Y C -0.953 174.680 175.900 -0.445 0.000 0.976 271 Y CA -1.726 56.177 58.100 -0.328 0.000 1.040 271 Y CB 3.255 41.586 38.460 -0.216 0.000 1.228 271 Y HN 0.242 8.338 8.280 -0.307 0.000 0.451 272 F N -0.281 119.928 119.950 0.433 0.000 2.540 272 F HA 0.556 5.391 4.527 0.271 -0.145 0.317 272 F C -1.692 174.222 175.800 0.190 0.000 1.104 272 F CA -1.634 56.550 58.000 0.308 0.000 0.913 272 F CB 3.977 43.185 39.000 0.348 0.000 1.170 272 F HN 0.792 9.351 8.300 0.432 0.000 0.450 273 L N 1.598 122.784 121.223 -0.061 0.000 2.333 273 L HA 0.656 5.221 4.340 0.113 -0.157 0.280 273 L C -2.064 174.592 176.870 -0.357 0.000 1.004 273 L CA -1.415 53.320 54.840 -0.175 0.000 0.820 273 L CB 3.098 44.822 42.059 -0.558 0.000 1.247 273 L HN 0.621 8.693 8.230 -0.264 0.000 0.416 274 H N 4.454 123.553 119.070 0.049 0.000 2.747 274 H HA 0.584 5.277 4.556 -0.019 -0.148 0.371 274 H C -0.596 174.759 175.328 0.045 0.000 1.161 274 H CA -1.848 54.225 56.048 0.041 0.000 1.167 274 H CB 4.450 34.275 29.762 0.105 0.000 1.732 274 H HN 0.373 8.806 8.280 0.254 0.000 0.544 275 L N 0.392 121.696 121.223 0.136 0.000 2.485 275 L HA -0.244 4.161 4.340 0.109 0.000 0.275 275 L C 0.122 177.057 176.870 0.108 0.000 1.207 275 L CA 1.222 56.122 54.840 0.099 0.000 0.855 275 L CB 0.288 42.366 42.059 0.032 0.000 1.114 275 L HN 0.173 8.461 8.230 0.096 0.000 0.485 276 D N 1.100 121.553 120.400 0.087 0.000 2.538 276 D HA 0.072 4.757 4.640 0.075 0.000 0.234 276 D C -0.748 175.576 176.300 0.039 0.000 1.191 276 D CA -0.502 53.539 54.000 0.069 0.000 0.828 276 D CB -0.469 40.374 40.800 0.072 0.000 0.981 276 D HN 0.036 8.455 8.370 0.082 0.000 0.490 277 T N -4.618 109.955 114.554 0.031 0.000 2.864 277 T HA 0.326 4.683 4.350 0.013 0.000 0.276 277 T C 0.628 175.334 174.700 0.009 0.000 1.006 277 T CA -2.216 59.893 62.100 0.015 0.000 0.970 277 T CB 1.521 70.394 68.868 0.009 0.000 1.420 277 T HN -0.831 7.345 8.240 0.038 0.087 0.601 278 E N -2.082 118.119 120.200 0.003 0.000 2.097 278 E HA -0.339 4.008 4.350 -0.004 0.000 0.196 278 E C 1.492 178.090 176.600 -0.003 0.000 1.000 278 E CA 2.676 59.075 56.400 -0.002 0.000 0.804 278 E CB -0.144 29.554 29.700 -0.003 0.000 0.740 278 E HN 0.460 8.821 8.360 0.002 0.000 0.454 279 K N -1.653 118.747 120.400 0.000 0.000 2.262 279 K HA -0.102 4.217 4.320 -0.001 0.000 0.200 279 K C -0.157 176.451 176.600 0.014 0.000 1.049 279 K CA -0.396 55.892 56.287 0.003 0.000 0.979 279 K CB 0.602 33.102 32.500 0.000 0.000 0.773 279 K HN -0.603 7.648 8.250 0.001 0.000 0.474 280 K N -3.767 116.649 120.400 0.026 0.000 3.125 280 K HA -0.416 4.196 4.320 0.071 -0.249 0.268 280 K C -1.105 175.587 176.600 0.154 0.000 1.078 280 K CA 0.450 56.771 56.287 0.057 0.000 0.775 280 K CB -2.571 29.914 32.500 -0.025 0.000 1.253 280 K HN -0.526 7.736 8.250 0.021 0.000 0.486 281 V N -1.217 118.761 119.914 0.107 0.000 2.599 281 V HA -0.182 4.031 4.120 0.156 0.000 0.300 281 V C -0.281 175.917 176.094 0.174 0.000 1.034 281 V CA -0.290 62.081 62.300 0.118 0.000 1.115 281 V CB 1.053 32.872 31.823 -0.007 0.000 0.934 281 V HN -0.206 8.017 8.190 0.055 0.000 0.485 282 F N 7.223 127.225 119.950 0.087 0.000 2.572 282 F HA -0.208 4.109 4.527 -0.349 0.000 0.370 282 F C -1.243 174.479 175.800 -0.129 0.000 1.103 282 F CA 1.706 59.639 58.000 -0.112 0.000 1.286 282 F CB 0.474 39.428 39.000 -0.078 0.000 1.105 282 F HN 0.138 8.668 8.300 0.383 0.000 0.583 283 L N 4.985 125.518 121.223 -1.150 0.000 2.541 283 L HA 0.224 4.232 4.340 -0.554 0.000 0.187 283 L C -0.951 175.177 176.870 -1.236 0.000 1.098 283 L CA 0.367 54.680 54.840 -0.878 0.000 0.846 283 L CB 1.785 43.585 42.059 -0.431 0.000 1.151 283 L HN 0.608 8.072 8.230 -1.277 0.000 0.492 284 L N -6.495 113.835 121.223 -1.488 0.000 2.465 284 L HA 0.644 4.821 4.340 -0.553 -0.169 0.257 284 L C -2.511 174.078 176.870 -0.469 0.000 0.988 284 L CA -1.203 53.107 54.840 -0.884 0.000 0.827 284 L CB 5.370 46.874 42.059 -0.925 0.000 1.397 284 L HN -0.861 6.467 8.230 -1.503 0.000 0.410 285 A N -0.705 122.214 122.820 0.166 0.000 2.374 285 A HA 1.122 5.759 4.320 0.218 -0.186 0.317 285 A C -1.662 176.140 177.584 0.363 0.000 1.094 285 A CA -2.181 50.037 52.037 0.302 0.000 0.765 285 A CB 4.021 23.277 19.000 0.426 0.000 1.268 285 A HN 0.527 8.824 8.150 0.245 0.000 0.438 286 G N -0.890 108.120 108.800 0.352 0.000 2.591 286 G HA2 0.845 5.191 3.960 0.300 0.000 0.306 286 G HA3 0.845 4.932 3.960 0.212 0.000 0.306 286 G C -2.938 172.113 174.900 0.252 0.000 1.334 286 G CA -0.699 44.579 45.100 0.295 0.000 0.981 286 G HN 0.434 8.868 8.290 0.241 0.000 0.491 287 R N 0.227 120.885 120.500 0.263 0.000 2.584 287 R HA 0.436 4.915 4.340 0.231 0.000 0.276 287 R C -1.241 175.092 176.300 0.056 0.000 1.046 287 R CA -1.008 55.207 56.100 0.192 0.000 0.906 287 R CB 5.062 35.434 30.300 0.119 0.000 1.215 287 R HN -0.028 8.397 8.270 0.258 0.000 0.449 288 K N 3.335 123.617 120.400 -0.197 0.000 2.436 288 K HA -0.079 3.923 4.320 -0.793 -0.158 0.275 288 K C -0.075 176.365 176.600 -0.265 0.000 0.999 288 K CA 0.834 56.748 56.287 -0.623 0.000 0.980 288 K CB 0.798 32.584 32.500 -1.190 0.000 0.919 288 K HN 0.418 8.599 8.250 -0.115 0.000 0.484 289 R N 5.472 125.827 120.500 -0.241 0.000 2.265 289 R HA 0.147 4.495 4.340 0.014 0.000 0.319 289 R C 0.344 176.658 176.300 0.024 0.000 1.006 289 R CA -0.214 55.852 56.100 -0.056 0.000 0.880 289 R CB 0.859 31.124 30.300 -0.060 0.000 1.077 289 R HN 0.125 8.210 8.270 -0.308 0.000 0.454 290 K N 5.218 125.733 120.400 0.191 0.000 2.026 290 K HA -0.239 4.445 4.320 0.607 0.000 0.208 290 K C 0.752 177.428 176.600 0.126 0.000 1.048 290 K CA 2.490 58.954 56.287 0.295 0.000 0.929 290 K CB 0.236 32.830 32.500 0.156 0.000 0.713 290 K HN 0.435 8.783 8.250 0.163 0.000 0.439 291 R N -1.197 119.335 120.500 0.053 0.000 2.287 291 R HA 0.044 4.400 4.340 0.027 0.000 0.316 291 R C -1.114 175.184 176.300 -0.004 0.000 1.050 291 R CA -0.141 55.971 56.100 0.020 0.000 0.983 291 R CB -0.179 30.127 30.300 0.008 0.000 1.140 291 R HN 0.001 8.296 8.270 0.042 0.000 0.528 292 S N 3.188 118.883 115.700 -0.007 0.000 2.607 292 S HA 0.333 4.789 4.470 -0.023 0.000 0.273 292 S C -0.950 173.641 174.600 -0.015 0.000 1.148 292 S CA -0.552 57.636 58.200 -0.020 0.000 0.833 292 S CB 2.810 65.991 63.200 -0.031 0.000 1.130 292 S HN 0.088 8.398 8.310 -0.000 0.000 0.470 293 K N 0.091 120.481 120.400 -0.017 0.000 2.486 293 K HA -0.014 4.299 4.320 -0.011 0.000 0.194 293 K C -0.267 176.325 176.600 -0.013 0.000 1.033 293 K CA 1.207 57.486 56.287 -0.013 0.000 1.004 293 K CB 0.246 32.738 32.500 -0.014 0.000 0.798 293 K HN 0.368 8.606 8.250 -0.020 0.000 0.495 294 T N -0.030 114.515 114.554 -0.015 0.000 2.903 294 T HA 0.051 4.391 4.350 -0.018 0.000 0.299 294 T C -2.012 172.670 174.700 -0.030 0.000 1.093 294 T CA -1.051 61.040 62.100 -0.015 0.000 1.002 294 T CB 2.564 71.435 68.868 0.004 0.000 1.127 294 T HN -0.806 7.354 8.240 -0.017 0.069 0.488 295 A N 3.157 125.952 122.820 -0.042 0.000 2.409 295 A HA 0.075 4.327 4.320 -0.114 0.000 0.267 295 A C -1.388 176.166 177.584 -0.050 0.000 1.127 295 A CA -0.041 51.948 52.037 -0.080 0.000 0.795 295 A CB 0.520 19.471 19.000 -0.081 0.000 1.061 295 A HN 0.472 8.598 8.150 -0.040 0.000 0.502 296 N N 1.901 120.533 118.700 -0.114 0.000 2.504 296 N HA 0.393 5.338 4.740 0.093 -0.149 0.268 296 N C -2.373 173.064 175.510 -0.121 0.000 1.184 296 N CA -0.665 52.376 53.050 -0.014 0.000 0.875 296 N CB 2.951 41.477 38.487 0.064 0.000 1.630 296 N HN -0.149 8.112 8.380 -0.199 0.000 0.486 297 Y N -2.322 117.958 120.300 -0.033 0.000 2.342 297 Y HA 0.341 5.035 4.550 -0.061 -0.181 0.334 297 Y C -0.275 175.645 175.900 0.033 0.000 1.067 297 Y CA -0.628 57.444 58.100 -0.046 0.000 1.128 297 Y CB 1.377 39.765 38.460 -0.119 0.000 1.200 297 Y HN 0.220 8.738 8.280 0.397 0.000 0.464 298 L N 1.524 122.865 121.223 0.196 0.000 2.334 298 L HA 0.309 4.954 4.340 0.308 -0.120 0.277 298 L C -0.925 176.116 176.870 0.285 0.000 1.075 298 L CA -0.619 54.365 54.840 0.239 0.000 0.804 298 L CB 1.683 43.809 42.059 0.112 0.000 1.174 298 L HN 0.007 8.319 8.230 0.136 0.000 0.438 299 I N 1.724 122.505 120.570 0.350 0.000 2.465 299 I HA 0.681 5.232 4.170 0.319 -0.189 0.291 299 I C -1.206 175.087 176.117 0.293 0.000 1.014 299 I CA -1.235 60.248 61.300 0.306 0.000 1.093 299 I CB 2.472 40.627 38.000 0.258 0.000 1.267 299 I HN 0.525 9.000 8.210 0.442 0.000 0.431 300 S N 4.145 120.004 115.700 0.265 0.000 2.595 300 S HA 0.963 5.730 4.470 0.227 -0.161 0.281 300 S C 0.360 175.104 174.600 0.240 0.000 1.117 300 S CA -2.010 56.338 58.200 0.247 0.000 0.873 300 S CB 3.560 66.917 63.200 0.261 0.000 1.108 300 S HN 0.558 9.033 8.310 0.274 0.000 0.477 301 I N -6.546 114.157 120.570 0.222 0.000 3.904 301 I HA 0.484 4.805 4.170 0.251 0.000 0.333 301 I C -1.103 175.261 176.117 0.412 0.000 1.361 301 I CA -0.638 60.822 61.300 0.267 0.000 1.116 301 I CB 0.615 38.703 38.000 0.148 0.000 1.028 301 I HN 0.050 8.377 8.210 0.194 0.000 0.398 302 D N 2.321 122.907 120.400 0.311 0.000 2.375 302 D HA 0.336 5.037 4.640 0.101 0.000 0.247 302 D C -1.481 174.815 176.300 -0.006 0.000 1.061 302 D CA -3.541 50.539 54.000 0.133 0.000 0.834 302 D CB 2.933 43.779 40.800 0.077 0.000 1.247 302 D HN -0.603 7.879 8.370 0.275 0.053 0.489 303 P HA -0.143 3.985 4.420 -0.487 0.000 0.216 303 P C -0.461 176.840 177.300 0.002 0.000 1.150 303 P CA 1.508 64.317 63.100 -0.485 0.000 0.843 303 P CB 0.771 32.024 31.700 -0.745 0.000 0.787 313 F N 2.967 122.958 119.950 0.070 0.000 2.541 313 F HA -0.008 4.692 4.527 0.084 -0.123 0.378 313 F C -0.745 175.095 175.800 0.068 0.000 1.068 313 F CA 0.181 58.224 58.000 0.072 0.000 1.199 313 F CB 0.031 39.066 39.000 0.058 0.000 1.091 313 F HN -0.428 8.093 8.300 0.367 0.000 0.555 314 I N 6.308 126.742 120.570 -0.225 0.000 4.403 314 I HA 0.241 4.178 4.170 -0.387 0.000 0.331 314 I C -1.746 174.146 176.117 -0.374 0.000 1.327 314 I CA -0.743 60.368 61.300 -0.314 0.000 1.175 314 I CB 3.029 40.976 38.000 -0.089 0.000 1.165 314 I HN 0.528 8.738 8.210 0.001 0.000 0.413 315 G N -2.771 105.848 108.800 -0.301 0.000 2.523 315 G HA2 0.271 4.279 3.960 -0.119 0.000 0.291 315 G HA3 0.271 4.230 3.960 -0.002 0.000 0.291 315 G C -3.723 171.327 174.900 0.251 0.000 1.450 315 G CA 0.510 45.576 45.100 -0.057 0.000 0.790 315 G HN -0.854 7.321 8.290 -0.192 0.000 0.496 316 K N -0.336 120.229 120.400 0.274 0.000 2.525 316 K HA 0.869 5.585 4.320 0.339 -0.192 0.254 316 K C -2.692 174.052 176.600 0.240 0.000 0.934 316 K CA -1.109 55.386 56.287 0.347 0.000 0.802 316 K CB 4.719 37.495 32.500 0.460 0.000 1.295 316 K HN 0.102 8.484 8.250 0.221 0.000 0.433 317 L N 6.011 127.350 121.223 0.194 0.000 2.298 317 L HA 0.666 5.206 4.340 0.069 -0.159 0.284 317 L C -2.517 174.503 176.870 0.250 0.000 1.013 317 L CA -1.342 53.578 54.840 0.134 0.000 0.824 317 L CB 3.262 45.312 42.059 -0.014 0.000 1.221 317 L HN 0.461 8.823 8.230 0.221 0.000 0.418 318 R N 7.361 127.996 120.500 0.225 0.000 2.445 318 R HA 0.720 5.325 4.340 0.194 -0.149 0.308 318 R C -1.497 174.871 176.300 0.113 0.000 0.961 318 R CA -1.803 54.420 56.100 0.206 0.000 0.862 318 R CB 2.843 33.319 30.300 0.294 0.000 1.144 318 R HN 0.722 9.083 8.270 0.152 0.000 0.447 319 S N 4.518 120.220 115.700 0.003 0.000 2.638 319 S HA 0.604 4.771 4.470 -0.735 -0.138 0.298 319 S C -0.331 174.109 174.600 -0.266 0.000 1.111 319 S CA -1.939 56.056 58.200 -0.341 0.000 1.027 319 S CB 2.711 65.773 63.200 -0.231 0.000 1.064 319 S HN 0.105 8.437 8.310 0.036 0.000 0.525 320 N N 2.738 121.219 118.700 -0.365 0.000 2.366 320 N HA 0.036 4.698 4.740 -0.130 0.000 0.277 320 N C 1.712 177.129 175.510 -0.154 0.000 1.275 320 N CA -0.493 52.441 53.050 -0.195 0.000 0.964 320 N CB -0.101 38.284 38.487 -0.170 0.000 1.167 320 N HN -0.106 7.946 8.380 -0.546 0.000 0.568 321 L N -1.374 119.794 121.223 -0.092 0.000 2.042 321 L HA -0.145 4.162 4.340 -0.056 0.000 0.210 321 L C 0.178 177.010 176.870 -0.063 0.000 1.076 321 L CA 2.215 57.019 54.840 -0.062 0.000 0.749 321 L CB -0.029 42.008 42.059 -0.036 0.000 0.893 321 L HN 0.277 8.462 8.230 -0.076 0.000 0.432 322 L N -3.802 117.377 121.223 -0.072 0.000 2.591 322 L HA -0.011 4.309 4.340 -0.034 0.000 0.228 322 L C 0.564 177.395 176.870 -0.066 0.000 1.133 322 L CA -0.131 54.678 54.840 -0.052 0.000 0.880 322 L CB -0.933 41.107 42.059 -0.032 0.000 1.033 322 L HN -0.495 7.673 8.230 -0.082 0.013 0.450 323 G N 0.503 109.221 108.800 -0.137 0.000 2.225 323 G HA2 -0.377 3.421 3.960 -0.270 0.000 0.267 323 G HA3 -0.377 3.567 3.960 -0.026 0.000 0.267 323 G C -0.491 174.368 174.900 -0.068 0.000 1.024 323 G CA 1.138 46.155 45.100 -0.139 0.000 0.784 323 G HN -0.216 7.897 8.290 -0.179 0.070 0.507 324 N N -5.537 113.088 118.700 -0.125 0.000 2.143 324 N HA 0.082 5.061 4.740 0.398 0.000 0.229 324 N C -1.807 173.725 175.510 0.037 0.000 1.294 324 N CA -0.547 52.577 53.050 0.123 0.000 0.883 324 N CB 1.533 40.085 38.487 0.108 0.000 1.148 324 N HN -0.395 8.053 8.380 -0.193 -0.184 0.511 325 R N -0.837 119.484 120.500 -0.298 0.000 2.538 325 R HA 0.698 5.123 4.340 -0.138 -0.167 0.292 325 R C -2.624 173.371 176.300 -0.508 0.000 1.008 325 R CA -0.894 55.051 56.100 -0.259 0.000 0.896 325 R CB 2.918 33.117 30.300 -0.168 0.000 1.187 325 R HN -0.552 7.655 8.270 -0.515 -0.246 0.440 326 F N 2.551 122.423 119.950 -0.129 0.000 2.576 326 F HA 0.875 5.563 4.527 -0.086 -0.213 0.313 326 F C -0.220 175.455 175.800 -0.208 0.000 1.078 326 F CA -1.248 56.674 58.000 -0.130 0.000 0.921 326 F CB 4.829 43.753 39.000 -0.127 0.000 1.232 326 F HN 0.598 8.916 8.300 0.030 0.000 0.459 327 T N 3.854 118.365 114.554 -0.070 0.000 2.841 327 T HA 0.481 4.790 4.350 -0.294 -0.136 0.283 327 T C -1.407 173.043 174.700 -0.416 0.000 1.000 327 T CA -0.612 61.287 62.100 -0.335 0.000 0.977 327 T CB 2.517 71.043 68.868 -0.570 0.000 0.979 327 T HN 0.482 8.702 8.240 -0.034 0.000 0.446 328 V N 5.518 125.171 119.914 -0.434 0.000 2.370 328 V HA 0.622 4.803 4.120 -0.215 -0.190 0.283 328 V C -1.234 174.632 176.094 -0.381 0.000 1.023 328 V CA -1.223 60.889 62.300 -0.315 0.000 0.857 328 V CB 1.163 32.862 31.823 -0.207 0.000 0.985 328 V HN 0.726 8.677 8.190 -0.398 0.000 0.443 329 F N 7.018 126.969 119.950 0.001 0.000 2.507 329 F HA 0.940 5.659 4.527 -0.012 -0.200 0.327 329 F C 0.353 176.131 175.800 -0.036 0.000 1.068 329 F CA -1.795 56.203 58.000 -0.002 0.000 0.965 329 F CB 2.994 42.017 39.000 0.038 0.000 1.192 329 F HN 0.578 8.930 8.300 0.088 0.000 0.476 330 D N 0.358 120.846 120.400 0.146 0.000 2.315 330 D HA -0.048 4.670 4.640 -0.059 -0.114 0.275 330 D C 0.186 176.419 176.300 -0.112 0.000 1.218 330 D CA -0.947 53.042 54.000 -0.018 0.000 1.040 330 D CB 0.983 41.757 40.800 -0.044 0.000 1.123 330 D HN -0.054 8.414 8.370 0.164 0.000 0.541 331 N N -2.537 115.985 118.700 -0.296 0.000 2.276 331 N HA -0.024 4.282 4.740 -0.723 0.000 0.212 331 N C 0.578 176.012 175.510 -0.128 0.000 1.127 331 N CA -0.587 52.142 53.050 -0.534 0.000 0.834 331 N CB -0.218 37.735 38.487 -0.890 0.000 1.014 331 N HN 0.034 8.262 8.380 -0.254 0.000 0.491 332 G N -0.581 108.191 108.800 -0.047 0.000 2.616 332 G HA2 -0.020 3.942 3.960 0.005 0.000 0.268 332 G HA3 -0.020 3.985 3.960 0.001 -0.045 0.268 332 G C -1.361 173.549 174.900 0.018 0.000 1.213 332 G CA -0.764 44.336 45.100 0.000 0.000 0.926 332 G HN -0.561 7.938 8.290 -0.044 -0.235 0.523 333 Q N -0.679 119.131 119.800 0.017 0.000 2.288 333 Q HA -0.057 4.289 4.340 0.010 0.000 0.254 333 Q C -0.306 175.681 176.000 -0.021 0.000 0.932 333 Q CA -0.266 55.541 55.803 0.006 0.000 0.902 333 Q CB 1.783 30.530 28.738 0.016 0.000 1.203 333 Q HN -0.215 8.067 8.270 0.019 0.000 0.415 334 N N 7.201 125.868 118.700 -0.056 0.000 2.434 334 N HA -0.050 4.645 4.740 -0.076 0.000 0.268 334 N C -0.334 175.172 175.510 -0.008 0.000 1.256 334 N CA -1.340 51.671 53.050 -0.064 0.000 0.914 334 N CB 0.000 38.427 38.487 -0.101 0.000 1.088 334 N HN 0.534 8.875 8.380 -0.065 0.000 0.478 335 P HA -0.201 4.273 4.420 0.091 0.000 0.218 335 P C 1.395 178.767 177.300 0.119 0.000 1.148 335 P CA 2.152 65.308 63.100 0.093 0.000 0.822 335 P CB 0.382 32.149 31.700 0.111 0.000 0.784 336 Q N -4.364 115.478 119.800 0.071 0.000 2.291 336 Q HA -0.263 4.115 4.340 0.065 0.000 0.206 336 Q C 1.505 177.435 176.000 -0.118 0.000 0.976 336 Q CA 2.403 58.212 55.803 0.011 0.000 0.875 336 Q CB -0.466 28.279 28.738 0.012 0.000 0.927 336 Q HN -0.254 8.333 8.270 0.053 -0.285 0.450 337 R N -3.634 116.819 120.500 -0.078 0.000 2.299 337 R HA 0.024 4.297 4.340 -0.112 0.000 0.197 337 R C 0.071 176.308 176.300 -0.106 0.000 0.971 337 R CA -0.538 55.505 56.100 -0.094 0.000 1.030 337 R CB 0.543 30.807 30.300 -0.060 0.000 0.932 337 R HN -0.463 7.644 8.270 -0.045 0.136 0.477 338 G N -0.697 108.046 108.800 -0.095 0.000 2.880 338 G HA2 0.148 4.047 3.960 -0.101 0.000 0.303 338 G HA3 0.148 4.095 3.960 -0.022 0.000 0.303 338 G C -0.866 174.078 174.900 0.073 0.000 2.853 338 G CA 0.413 45.483 45.100 -0.051 0.000 0.748 338 G HN -0.335 7.743 8.290 -0.072 0.168 0.349 339 Y N 2.322 122.621 120.300 -0.002 0.000 2.315 339 Y HA -0.346 4.204 4.550 -0.001 0.000 0.288 339 Y C 0.933 176.833 175.900 0.001 0.000 1.154 339 Y CA 1.940 60.040 58.100 -0.000 0.000 1.229 339 Y CB -0.001 38.459 38.460 -0.000 0.000 0.980 339 Y HN 0.366 8.618 8.280 -0.047 0.000 0.540 340 S N -3.245 112.553 115.700 0.164 0.000 2.593 340 S HA 0.035 4.557 4.470 0.088 0.000 0.217 340 S C -0.131 174.506 174.600 0.062 0.000 0.966 340 S CA -0.075 58.180 58.200 0.093 0.000 0.914 340 S CB 0.295 63.536 63.200 0.069 0.000 0.776 340 S HN -0.372 7.978 8.310 0.138 0.043 0.523 341 T N 4.585 119.178 114.554 0.066 0.000 2.930 341 T HA -0.068 4.304 4.350 0.037 0.000 0.306 341 T C -0.793 173.930 174.700 0.038 0.000 1.045 341 T CA 1.070 63.197 62.100 0.045 0.000 1.134 341 T CB 0.660 69.554 68.868 0.043 0.000 0.961 341 T HN -0.803 7.431 8.240 0.083 0.056 0.545 342 N N 3.409 122.126 118.700 0.028 0.000 2.356 342 N HA -0.190 4.562 4.740 0.020 0.000 0.252 342 N C 1.555 177.077 175.510 0.022 0.000 1.241 342 N CA 0.347 53.410 53.050 0.022 0.000 0.861 342 N CB 0.436 38.934 38.487 0.018 0.000 1.075 342 N HN 0.076 8.472 8.380 0.027 0.000 0.461 343 V N 5.728 125.653 119.914 0.018 0.000 2.392 343 V HA -0.442 3.690 4.120 0.020 0.000 0.249 343 V C 1.317 177.421 176.094 0.016 0.000 1.059 343 V CA 3.277 65.587 62.300 0.017 0.000 1.051 343 V CB -0.021 31.808 31.823 0.011 0.000 0.658 343 V HN 0.323 8.522 8.190 0.015 0.000 0.455 344 A N -1.757 121.071 122.820 0.014 0.000 2.125 344 A HA -0.209 4.117 4.320 0.011 0.000 0.219 344 A C 1.128 178.719 177.584 0.011 0.000 1.156 344 A CA 2.325 54.369 52.037 0.011 0.000 0.671 344 A CB -0.842 18.164 19.000 0.010 0.000 0.794 344 A HN 0.191 8.339 8.150 0.013 0.010 0.459 345 S N -2.674 113.035 115.700 0.015 0.000 2.556 345 S HA 0.008 4.485 4.470 0.011 0.000 0.216 345 S C -0.920 173.690 174.600 0.017 0.000 0.970 345 S CA 0.345 58.554 58.200 0.015 0.000 0.912 345 S CB 0.692 63.904 63.200 0.019 0.000 0.790 345 S HN -0.554 7.609 8.310 0.017 0.157 0.504 346 L N 0.841 122.076 121.223 0.021 0.000 2.436 346 L HA 0.090 4.582 4.340 0.023 -0.139 0.265 346 L C -0.407 176.478 176.870 0.024 0.000 1.168 346 L CA -0.323 54.531 54.840 0.024 0.000 0.815 346 L CB 0.961 43.039 42.059 0.031 0.000 1.109 346 L HN -0.663 7.421 8.230 0.021 0.158 0.462 347 R N 0.117 120.629 120.500 0.021 0.000 2.543 347 R HA 0.084 4.575 4.340 0.031 -0.133 0.277 347 R C -0.689 175.666 176.300 0.092 0.000 1.074 347 R CA -0.378 55.745 56.100 0.037 0.000 1.076 347 R CB 0.786 31.076 30.300 -0.015 0.000 0.993 347 R HN 0.091 8.282 8.270 0.009 0.084 0.459 348 Q N 2.564 122.429 119.800 0.108 0.000 2.214 348 Q HA 0.525 5.090 4.340 0.099 -0.166 0.251 348 Q C -0.051 176.059 176.000 0.184 0.000 0.936 348 Q CA -1.151 54.718 55.803 0.110 0.000 0.894 348 Q CB 3.079 31.846 28.738 0.047 0.000 1.252 348 Q HN 0.015 8.643 8.270 0.088 -0.305 0.448 349 E N 0.968 121.235 120.200 0.112 0.000 2.174 349 E HA 0.180 4.639 4.350 -0.051 -0.140 0.282 349 E C -0.198 176.364 176.600 -0.063 0.000 0.992 349 E CA -0.328 56.065 56.400 -0.012 0.000 0.803 349 E CB 0.843 30.512 29.700 -0.052 0.000 1.090 349 E HN -0.146 8.268 8.360 0.089 0.000 0.396 350 L N 2.250 123.407 121.223 -0.110 0.000 2.556 350 L HA 0.143 4.431 4.340 -0.086 0.000 0.226 350 L C -0.825 175.959 176.870 -0.142 0.000 1.089 350 L CA -0.097 54.679 54.840 -0.107 0.000 0.864 350 L CB 1.003 43.002 42.059 -0.100 0.000 1.067 350 L HN 0.576 8.718 8.230 -0.147 0.000 0.477 351 A N -5.050 117.661 122.820 -0.182 0.000 2.583 351 A HA 0.490 4.898 4.320 -0.172 -0.191 0.292 351 A C -2.932 174.519 177.584 -0.222 0.000 1.045 351 A CA -0.166 51.756 52.037 -0.193 0.000 0.672 351 A CB 3.057 21.936 19.000 -0.203 0.000 1.283 351 A HN -0.877 7.145 8.150 -0.213 0.000 0.419 352 A N -0.921 121.769 122.820 -0.216 0.000 2.386 352 A HA 1.048 5.410 4.320 -0.209 -0.168 0.311 352 A C -2.085 175.329 177.584 -0.284 0.000 1.068 352 A CA -2.000 49.902 52.037 -0.225 0.000 0.743 352 A CB 3.518 22.399 19.000 -0.198 0.000 1.258 352 A HN 0.394 8.417 8.150 -0.211 0.000 0.429 353 V N 1.879 121.637 119.914 -0.260 0.000 2.540 353 V HA 0.756 4.765 4.120 -0.486 -0.180 0.302 353 V C -1.441 174.426 176.094 -0.379 0.000 1.035 353 V CA -1.715 60.352 62.300 -0.388 0.000 0.873 353 V CB 2.955 34.527 31.823 -0.419 0.000 0.992 353 V HN 0.005 8.101 8.190 -0.156 0.000 0.428 354 I N 5.398 125.598 120.570 -0.618 0.000 2.410 354 I HA 0.391 4.462 4.170 -0.409 -0.147 0.286 354 I C -1.430 174.357 176.117 -0.550 0.000 1.009 354 I CA -1.090 59.854 61.300 -0.594 0.000 1.111 354 I CB 2.777 40.160 38.000 -1.028 0.000 1.262 354 I HN 0.558 8.353 8.210 -0.693 0.000 0.443 355 Y N 7.641 127.862 120.300 -0.131 0.000 2.331 355 Y HA 0.566 5.243 4.550 -0.094 -0.184 0.338 355 Y C -0.396 175.477 175.900 -0.045 0.000 0.992 355 Y CA -1.504 56.551 58.100 -0.075 0.000 1.121 355 Y CB 1.747 40.197 38.460 -0.017 0.000 1.184 355 Y HN 0.325 8.631 8.280 0.043 0.000 0.469 356 E N 2.979 123.249 120.200 0.117 0.000 2.288 356 E HA 0.394 4.805 4.350 0.101 0.000 0.268 356 E C -1.087 175.566 176.600 0.088 0.000 0.885 356 E CA -2.251 54.208 56.400 0.099 0.000 0.767 356 E CB 3.818 33.579 29.700 0.101 0.000 1.220 356 E HN 0.562 8.984 8.360 0.104 0.000 0.427 357 T N 4.731 119.326 114.554 0.069 0.000 2.870 357 T HA -0.132 4.391 4.350 0.046 -0.145 0.300 357 T C 0.390 175.115 174.700 0.042 0.000 0.989 357 T CA 1.280 63.408 62.100 0.047 0.000 1.139 357 T CB 0.453 69.340 68.868 0.032 0.000 0.920 357 T HN 0.263 8.543 8.240 0.068 0.000 0.537 358 N N 8.072 126.791 118.700 0.032 0.000 2.492 358 N HA -0.091 4.668 4.740 0.031 0.000 0.262 358 N C 0.146 175.663 175.510 0.012 0.000 1.202 358 N CA 0.967 54.031 53.050 0.024 0.000 0.926 358 N CB 0.503 39.000 38.487 0.017 0.000 1.078 358 N HN -0.116 8.282 8.380 0.029 0.000 0.454 359 V N 3.005 122.929 119.914 0.017 0.000 3.354 359 V HA -0.034 4.091 4.120 0.008 0.000 0.258 359 V C 1.004 177.104 176.094 0.011 0.000 1.159 359 V CA 0.750 63.057 62.300 0.013 0.000 1.125 359 V CB 0.628 32.462 31.823 0.019 0.000 0.774 359 V HN -0.005 8.198 8.190 0.023 0.000 0.464 360 L N 1.160 122.395 121.223 0.019 0.000 2.331 360 L HA 0.335 4.697 4.340 0.037 0.000 0.275 360 L C -0.077 176.798 176.870 0.009 0.000 1.022 360 L CA -0.872 53.990 54.840 0.037 0.000 0.812 360 L CB 0.797 42.897 42.059 0.068 0.000 1.257 360 L HN -0.667 nan 8.230 nan 0.000 0.435 361 G N -1.200 107.589 108.800 -0.019 0.000 2.616 361 G HA2 -0.090 3.684 3.960 -0.311 0.000 0.268 361 G HA3 -0.090 3.442 3.960 -0.715 0.000 0.268 361 G C -0.828 174.023 174.900 -0.082 0.000 1.213 361 G CA -0.450 44.458 45.100 -0.319 0.000 0.926 361 G HN 0.005 8.324 8.290 0.049 0.000 0.523 362 F N -7.039 112.924 119.950 0.021 0.000 2.926 362 F HA -0.250 4.292 4.527 0.025 0.000 0.288 362 F C -0.463 175.351 175.800 0.025 0.000 0.756 362 F CA 1.043 59.056 58.000 0.022 0.000 1.292 362 F CB -1.865 37.145 39.000 0.017 0.000 1.482 362 F HN 0.088 8.042 8.300 -0.575 0.000 0.400 363 R N -3.160 117.400 120.500 0.100 0.000 2.569 363 R HA 0.174 4.574 4.340 0.100 0.000 0.422 363 R C -0.480 175.856 176.300 0.061 0.000 0.980 363 R CA -0.645 55.506 56.100 0.085 0.000 1.164 363 R CB 1.247 31.593 30.300 0.076 0.000 1.520 363 R HN 0.027 8.284 8.270 0.037 0.035 0.567 364 G N 0.555 109.379 108.800 0.039 0.000 2.612 364 G HA2 -0.185 3.799 3.960 0.040 0.000 0.686 364 G HA3 -0.185 3.813 3.960 0.064 0.000 0.686 364 G C -2.351 172.560 174.900 0.019 0.000 1.274 364 G CA -0.783 44.342 45.100 0.042 0.000 0.849 364 G HN -0.662 7.639 8.290 0.018 0.000 0.595 365 P HA -0.119 4.297 4.420 -0.008 0.000 0.216 365 P C -0.905 176.412 177.300 0.029 0.000 1.153 365 P CA 1.434 64.540 63.100 0.010 0.000 0.848 365 P CB 0.534 32.239 31.700 0.008 0.000 0.787 366 R N -3.896 116.638 120.500 0.058 0.000 2.534 366 R HA 0.631 5.236 4.340 0.085 -0.214 0.301 366 R C -0.648 175.710 176.300 0.096 0.000 0.961 366 R CA -1.937 54.220 56.100 0.095 0.000 0.871 366 R CB 2.426 32.817 30.300 0.152 0.000 1.170 366 R HN -0.454 7.855 8.270 0.064 0.000 0.446 367 R N 5.197 125.743 120.500 0.077 0.000 2.347 367 R HA -0.121 4.362 4.340 0.046 -0.115 0.304 367 R C -1.238 175.071 176.300 0.014 0.000 1.072 367 R CA 0.439 56.569 56.100 0.050 0.000 0.980 367 R CB 0.991 31.319 30.300 0.047 0.000 0.986 367 R HN 0.202 8.516 8.270 0.073 0.000 0.448 368 M N 9.333 128.902 119.600 -0.051 0.000 2.227 368 M HA 0.676 5.089 4.480 -0.410 -0.180 0.335 368 M C -1.680 174.474 176.300 -0.243 0.000 1.053 368 M CA -0.790 54.345 55.300 -0.274 0.000 0.973 368 M CB 3.371 35.777 32.600 -0.324 0.000 1.623 368 M HN 0.495 9.131 8.290 -0.021 -0.358 0.434 369 T N 9.202 123.536 114.554 -0.367 0.000 2.829 369 T HA 0.642 4.961 4.350 -0.332 -0.168 0.280 369 T C -1.370 173.025 174.700 -0.509 0.000 0.999 369 T CA -0.744 61.131 62.100 -0.376 0.000 0.983 369 T CB 2.135 70.811 68.868 -0.320 0.000 0.968 369 T HN 0.648 8.604 8.240 -0.473 0.000 0.446 370 V N 7.453 127.088 119.914 -0.465 0.000 2.487 370 V HA 0.759 4.842 4.120 -0.411 -0.210 0.298 370 V C -1.745 174.159 176.094 -0.318 0.000 1.028 370 V CA -1.728 60.336 62.300 -0.393 0.000 0.860 370 V CB 2.731 34.348 31.823 -0.343 0.000 0.991 370 V HN 0.709 8.606 8.190 -0.488 0.000 0.427 371 I N 6.921 127.332 120.570 -0.265 0.000 2.404 371 I HA 0.777 5.040 4.170 -0.155 -0.187 0.293 371 I C -0.564 175.464 176.117 -0.149 0.000 0.992 371 I CA -2.847 58.349 61.300 -0.173 0.000 1.149 371 I CB 0.725 38.656 38.000 -0.116 0.000 1.315 371 I HN 0.279 8.319 8.210 -0.283 0.000 0.446 372 I N 0.624 121.126 120.570 -0.115 0.000 2.934 372 I HA 0.697 4.798 4.170 -0.115 0.000 0.306 372 I C -2.804 173.268 176.117 -0.075 0.000 1.110 372 I CA -3.924 57.312 61.300 -0.107 0.000 1.019 372 I CB 2.280 40.208 38.000 -0.120 0.000 1.227 372 I HN 0.532 8.683 8.210 -0.099 0.000 0.434 373 P HA -0.042 4.356 4.420 -0.036 0.000 0.267 373 P C -0.123 177.148 177.300 -0.049 0.000 1.200 373 P CA 0.077 63.148 63.100 -0.049 0.000 0.772 373 P CB 0.405 32.077 31.700 -0.046 0.000 0.855 374 G N 1.126 109.908 108.800 -0.029 0.000 2.616 374 G HA2 0.075 4.015 3.960 -0.033 0.000 0.268 374 G HA3 0.075 4.161 3.960 -0.013 -0.135 0.268 374 G C -1.341 173.545 174.900 -0.023 0.000 1.213 374 G CA -0.739 44.346 45.100 -0.025 0.000 0.926 374 G HN -0.164 8.114 8.290 -0.021 0.000 0.523 375 M N -1.704 117.890 119.600 -0.010 0.000 2.598 375 M HA 0.666 5.297 4.480 0.009 -0.146 0.317 375 M C 0.019 176.340 176.300 0.035 0.000 1.179 375 M CA -3.136 52.175 55.300 0.017 0.000 0.936 375 M CB 3.130 35.760 32.600 0.049 0.000 1.713 375 M HN 0.031 8.318 8.290 -0.006 0.000 0.460 376 S N 2.601 118.327 115.700 0.042 0.000 2.694 376 S HA 0.355 4.838 4.470 0.022 0.000 0.278 376 S C 1.044 175.666 174.600 0.037 0.000 1.152 376 S CA -0.847 57.372 58.200 0.031 0.000 1.010 376 S CB 1.827 65.041 63.200 0.024 0.000 1.104 376 S HN 0.352 8.691 8.310 0.048 0.000 0.547 377 A N -0.944 121.888 122.820 0.020 0.000 2.119 377 A HA -0.050 4.276 4.320 0.009 0.000 0.217 377 A C 0.576 178.164 177.584 0.006 0.000 1.153 377 A CA 1.924 53.966 52.037 0.010 0.000 0.692 377 A CB -0.433 18.568 19.000 0.001 0.000 0.799 377 A HN 0.593 8.752 8.150 0.015 0.000 0.458 378 E N -1.462 118.747 120.200 0.015 0.000 2.445 378 E HA -0.003 4.348 4.350 0.001 0.000 0.189 378 E C -0.870 175.747 176.600 0.028 0.000 1.069 378 E CA -1.533 54.874 56.400 0.012 0.000 0.871 378 E CB -0.987 28.720 29.700 0.013 0.000 0.991 378 E HN -0.430 7.909 8.360 0.019 0.032 0.481 379 N N -3.592 115.141 118.700 0.056 0.000 2.727 379 N HA -0.454 4.488 4.740 0.228 -0.065 0.249 379 N C -1.307 174.308 175.510 0.176 0.000 1.048 379 N CA 1.599 54.735 53.050 0.144 0.000 0.714 379 N CB -1.557 36.936 38.487 0.009 0.000 0.959 379 N HN -0.342 7.889 8.380 0.052 0.181 0.544 380 E N -2.826 117.436 120.200 0.103 0.000 2.320 380 E HA 0.225 4.622 4.350 0.077 0.000 0.264 380 E C -1.029 175.593 176.600 0.037 0.000 0.923 380 E CA -1.944 54.495 56.400 0.066 0.000 0.796 380 E CB 3.213 32.935 29.700 0.037 0.000 1.262 380 E HN -0.940 7.450 8.360 0.079 0.017 0.428 381 R N 0.572 121.076 120.500 0.007 0.000 2.491 381 R HA -0.113 4.344 4.340 -0.021 -0.130 0.283 381 R C 0.240 176.536 176.300 -0.005 0.000 1.072 381 R CA 0.831 56.923 56.100 -0.014 0.000 1.048 381 R CB 0.669 30.949 30.300 -0.034 0.000 0.983 381 R HN 0.351 8.623 8.270 0.003 0.000 0.450 382 V N 7.800 127.710 119.914 -0.007 0.000 2.405 382 V HA 0.022 4.142 4.120 0.000 0.000 0.264 382 V C -1.690 174.401 176.094 -0.006 0.000 1.048 382 V CA -1.624 60.674 62.300 -0.003 0.000 0.966 382 V CB -0.095 31.727 31.823 -0.001 0.000 1.015 382 V HN 0.042 8.227 8.190 -0.009 0.000 0.477 383 P HA -0.053 4.363 4.420 -0.006 0.000 0.271 383 P C -1.298 176.004 177.300 0.004 0.000 1.218 383 P CA -0.459 62.640 63.100 -0.001 0.000 0.780 383 P CB 0.444 32.146 31.700 0.003 0.000 0.901 384 I N 2.894 123.468 120.570 0.007 0.000 2.354 384 I HA 0.157 4.336 4.170 0.015 0.000 0.286 384 I C -1.305 174.833 176.117 0.035 0.000 1.007 384 I CA -1.534 59.776 61.300 0.016 0.000 1.167 384 I CB 0.003 38.008 38.000 0.008 0.000 1.320 384 I HN 0.337 8.550 8.210 0.005 0.000 0.458 385 R N 7.673 128.196 120.500 0.037 0.000 2.443 385 R HA 0.661 5.169 4.340 0.068 -0.126 0.287 385 R C -2.582 173.749 176.300 0.051 0.000 1.425 385 R CA -2.912 53.218 56.100 0.051 0.000 1.300 385 R CB 0.690 31.013 30.300 0.037 0.000 1.129 385 R HN 0.336 8.623 8.270 0.029 0.000 0.577 386 P HA 0.027 4.477 4.420 0.049 0.000 0.268 386 P C 0.413 177.747 177.300 0.057 0.000 1.208 386 P CA -0.068 63.069 63.100 0.063 0.000 0.777 386 P CB 0.770 32.523 31.700 0.089 0.000 0.875 387 R N 1.155 121.682 120.500 0.044 0.000 2.546 387 R HA 0.179 4.551 4.340 0.053 0.000 0.320 387 R C -0.524 175.813 176.300 0.063 0.000 1.021 387 R CA -0.351 55.775 56.100 0.044 0.000 1.088 387 R CB 0.344 30.651 30.300 0.012 0.000 1.278 387 R HN 0.342 nan 8.270 nan 0.000 0.557 388 N N -2.523 116.216 118.700 0.064 0.000 3.856 388 N HA -0.014 4.771 4.740 0.076 0.000 0.237 388 N C -1.289 174.260 175.510 0.064 0.000 1.351 388 N CA -0.285 52.807 53.050 0.071 0.000 0.805 388 N CB 0.274 38.808 38.487 0.077 0.000 1.487 388 N HN -0.747 nan 8.380 nan 0.000 0.431 389 A N -1.456 121.401 122.820 0.060 0.000 2.277 389 A HA -0.057 4.307 4.320 0.074 0.000 0.208 389 A C 0.633 178.248 177.584 0.052 0.000 1.202 389 A CA 1.416 53.490 52.037 0.061 0.000 0.762 389 A CB -0.410 18.620 19.000 0.052 0.000 0.770 389 A HN 0.217 8.401 8.150 0.057 0.000 0.487 390 S N -2.460 113.267 115.700 0.046 0.000 2.395 390 S HA -0.117 4.373 4.470 0.032 0.000 0.225 390 S C 0.269 174.891 174.600 0.036 0.000 1.027 390 S CA 1.076 59.297 58.200 0.035 0.000 0.965 390 S CB 0.393 63.609 63.200 0.027 0.000 0.812 390 S HN -0.045 8.186 8.310 0.047 0.107 0.482 391 D N -0.024 120.401 120.400 0.042 0.000 2.299 391 D HA 0.210 4.872 4.640 0.037 0.000 0.243 391 D C -2.189 174.146 176.300 0.058 0.000 0.982 391 D CA -0.524 53.501 54.000 0.042 0.000 0.924 391 D CB 2.680 43.501 40.800 0.034 0.000 1.238 391 D HN -0.926 7.471 8.370 0.046 0.000 0.484 392 G N -1.912 106.920 108.800 0.053 0.000 2.358 392 G HA2 -0.040 4.027 3.960 0.061 0.000 0.303 392 G HA3 -0.040 3.962 3.960 0.069 0.000 0.303 392 G C -0.952 173.973 174.900 0.042 0.000 1.537 392 G CA -0.346 44.788 45.100 0.058 0.000 0.928 392 G HN -0.196 8.121 8.290 0.045 0.000 0.656 393 L N 2.408 123.639 121.223 0.014 0.000 2.017 393 L HA -0.354 4.000 4.340 0.023 0.000 0.208 393 L C 1.682 178.587 176.870 0.059 0.000 1.073 393 L CA 3.339 58.184 54.840 0.008 0.000 0.745 393 L CB 0.009 42.035 42.059 -0.055 0.000 0.894 393 L HN 0.079 8.627 8.230 -0.006 -0.322 0.432 394 L N -2.690 118.561 121.223 0.047 0.000 2.046 394 L HA -0.491 3.937 4.340 0.146 0.000 0.208 394 L C 2.096 179.092 176.870 0.210 0.000 1.077 394 L CA 3.044 57.959 54.840 0.125 0.000 0.747 394 L CB -0.650 41.446 42.059 0.062 0.000 0.896 394 L HN -0.169 8.067 8.230 0.011 0.000 0.432 395 V N -1.434 118.552 119.914 0.120 0.000 2.295 395 V HA -0.496 3.677 4.120 0.088 0.000 0.246 395 V C 1.846 177.983 176.094 0.072 0.000 1.049 395 V CA 4.096 66.449 62.300 0.088 0.000 1.024 395 V CB -0.365 31.493 31.823 0.057 0.000 0.648 395 V HN -0.477 7.767 8.190 0.090 0.000 0.447 396 R N -1.518 119.029 120.500 0.078 0.000 2.120 396 R HA -0.254 4.102 4.340 0.027 0.000 0.234 396 R C 2.443 178.794 176.300 0.084 0.000 1.123 396 R CA 3.408 59.543 56.100 0.058 0.000 0.975 396 R CB -0.273 30.059 30.300 0.054 0.000 0.866 396 R HN -0.266 8.051 8.270 0.079 0.000 0.446 397 W N 0.324 121.606 121.300 -0.031 0.000 2.379 397 W HA -0.299 4.341 4.660 -0.032 0.000 0.307 397 W C 2.367 178.873 176.519 -0.023 0.000 1.200 397 W CA 3.676 61.001 57.345 -0.033 0.000 1.297 397 W CB -0.277 29.155 29.460 -0.047 0.000 1.140 397 W HN -0.146 8.101 8.180 0.294 0.109 0.507 398 Q N -0.618 119.092 119.800 -0.151 0.000 2.167 398 Q HA -0.302 3.536 4.340 -0.837 0.000 0.202 398 Q C 2.073 177.884 176.000 -0.315 0.000 0.970 398 Q CA 3.176 58.739 55.803 -0.399 0.000 0.855 398 Q CB -0.148 28.544 28.738 -0.076 0.000 0.911 398 Q HN -0.122 8.229 8.270 0.135 0.000 0.438 399 N N -2.368 116.231 118.700 -0.169 0.000 2.412 399 N HA 0.015 4.680 4.740 -0.126 0.000 0.184 399 N C -0.776 174.656 175.510 -0.129 0.000 1.101 399 N CA -0.009 52.968 53.050 -0.121 0.000 0.881 399 N CB 0.338 38.791 38.487 -0.058 0.000 0.969 399 N HN -0.296 7.998 8.380 -0.109 0.021 0.459 400 K N -4.229 116.068 120.400 -0.172 0.000 3.150 400 K HA -0.368 3.868 4.320 -0.141 0.000 0.267 400 K C -1.163 175.401 176.600 -0.060 0.000 1.028 400 K CA 1.144 57.351 56.287 -0.134 0.000 0.753 400 K CB -2.791 29.621 32.500 -0.147 0.000 1.288 400 K HN -0.485 7.453 8.250 -0.224 0.177 0.473 401 T N -3.734 110.800 114.554 -0.034 0.000 3.378 401 T HA 0.226 4.568 4.350 -0.014 0.000 0.359 401 T C -0.349 174.356 174.700 0.009 0.000 1.815 401 T CA -1.764 60.329 62.100 -0.011 0.000 1.509 401 T CB 0.082 68.944 68.868 -0.010 0.000 1.049 401 T HN -0.218 8.003 8.240 -0.032 0.000 0.705 402 L N 3.061 124.294 121.223 0.016 0.000 2.872 402 L HA 0.222 4.582 4.340 0.033 0.000 0.245 402 L C 1.227 178.113 176.870 0.026 0.000 1.211 402 L CA -0.985 53.873 54.840 0.031 0.000 1.013 402 L CB -0.456 41.634 42.059 0.051 0.000 1.326 402 L HN 0.228 8.464 8.230 0.011 0.000 0.525 403 E N 1.873 122.084 120.200 0.018 0.000 2.045 403 E HA -0.375 3.987 4.350 0.019 0.000 0.212 403 E C 0.224 176.834 176.600 0.018 0.000 1.039 403 E CA 2.800 59.209 56.400 0.016 0.000 0.860 403 E CB 0.111 29.817 29.700 0.010 0.000 0.776 403 E HN -0.130 8.177 8.360 0.013 0.061 0.467 404 S N -2.838 112.869 115.700 0.013 0.000 2.685 404 S HA 0.069 4.545 4.470 0.011 0.000 0.240 404 S C -0.333 174.271 174.600 0.008 0.000 0.967 404 S CA -0.428 57.778 58.200 0.010 0.000 1.009 404 S CB -0.202 63.002 63.200 0.006 0.000 0.776 404 S HN -0.036 8.281 8.310 0.011 0.000 0.467 405 L N 0.545 121.776 121.223 0.013 0.000 2.298 405 L HA 0.343 4.758 4.340 -0.004 -0.078 0.268 405 L C -0.931 175.949 176.870 0.017 0.000 1.010 405 L CA -1.119 53.725 54.840 0.006 0.000 0.812 405 L CB 2.911 44.974 42.059 0.008 0.000 1.331 405 L HN -0.592 7.567 8.230 0.019 0.083 0.450 406 I N 0.156 120.728 120.570 0.003 0.000 2.406 406 I HA 0.237 4.457 4.170 0.083 0.000 0.290 406 I C -1.671 174.439 176.117 -0.013 0.000 0.999 406 I CA -0.900 60.420 61.300 0.033 0.000 1.124 406 I CB 3.220 41.230 38.000 0.017 0.000 1.289 406 I HN 0.206 8.405 8.210 -0.017 0.000 0.441 407 E N 7.973 128.160 120.200 -0.021 0.000 2.133 407 E HA 0.506 4.882 4.350 -0.191 -0.140 0.274 407 E C -1.331 175.066 176.600 -0.338 0.000 0.930 407 E CA -1.341 54.954 56.400 -0.175 0.000 0.770 407 E CB 1.814 31.446 29.700 -0.114 0.000 1.104 407 E HN 0.286 8.671 8.360 0.041 0.000 0.403 408 L N 4.620 125.575 121.223 -0.447 0.000 2.323 408 L HA 0.648 4.888 4.340 -0.355 -0.113 0.265 408 L C -1.030 175.402 176.870 -0.730 0.000 1.012 408 L CA -1.428 53.149 54.840 -0.438 0.000 0.820 408 L CB 3.307 45.247 42.059 -0.199 0.000 1.334 408 L HN 0.610 8.583 8.230 -0.429 0.000 0.427 409 H N -1.730 117.277 119.070 -0.105 0.000 2.928 409 H HA 0.802 5.473 4.556 -0.147 -0.204 0.371 409 H C -0.334 174.951 175.328 -0.071 0.000 1.186 409 H CA -1.735 54.249 56.048 -0.107 0.000 1.134 409 H CB 4.276 33.992 29.762 -0.078 0.000 1.824 409 H HN 0.525 8.744 8.280 -0.101 0.000 0.554 410 N N 1.653 120.385 118.700 0.053 0.000 2.479 410 N HA 0.003 5.003 4.740 0.075 -0.215 0.257 410 N C -0.093 175.473 175.510 0.094 0.000 1.232 410 N CA -0.161 52.928 53.050 0.066 0.000 0.920 410 N CB 0.863 39.381 38.487 0.052 0.000 1.105 410 N HN -0.024 8.371 8.380 0.025 0.000 0.444 411 K N 1.691 122.149 120.400 0.097 0.000 2.258 411 K HA 0.326 4.684 4.320 0.062 0.000 0.284 411 K C -1.439 175.199 176.600 0.064 0.000 1.051 411 K CA -2.528 53.799 56.287 0.068 0.000 0.923 411 K CB 0.529 33.057 32.500 0.046 0.000 1.046 411 K HN 0.151 8.471 8.250 0.116 0.000 0.474 412 P HA 0.269 4.734 4.420 0.074 0.000 0.282 412 P C -2.005 175.323 177.300 0.046 0.000 1.249 412 P CA -1.966 61.170 63.100 0.060 0.000 0.806 412 P CB -0.671 31.063 31.700 0.057 0.000 0.984 413 P HA -0.107 4.329 4.420 0.027 0.000 0.260 413 P C -0.342 176.980 177.300 0.036 0.000 1.147 413 P CA 0.682 63.809 63.100 0.045 0.000 0.758 413 P CB 0.298 32.043 31.700 0.075 0.000 0.744 425 N N 1.225 119.756 118.700 -0.282 0.000 2.469 425 N HA 0.076 4.783 4.740 -0.055 0.000 0.239 425 N C -0.046 175.330 175.510 -0.222 0.000 1.053 425 N CA -0.078 52.878 53.050 -0.157 0.000 0.937 425 N CB 0.397 38.839 38.487 -0.076 0.000 1.163 425 N HN 0.260 8.484 8.380 -0.259 0.000 0.509 426 F N 3.686 123.635 119.950 -0.002 0.000 2.797 426 F HA 0.038 4.735 4.527 -0.009 -0.176 0.302 426 F C -0.211 175.581 175.800 -0.014 0.000 1.130 426 F CA -0.006 57.987 58.000 -0.012 0.000 1.387 426 F CB 0.812 39.797 39.000 -0.025 0.000 1.107 426 F HN 0.150 8.581 8.300 0.218 0.000 0.577 427 Q N -2.207 117.667 119.800 0.124 0.000 2.475 427 Q HA -0.369 4.002 4.340 0.051 0.000 0.280 427 Q C 0.121 176.164 176.000 0.072 0.000 1.234 427 Q CA 0.872 56.718 55.803 0.071 0.000 0.873 427 Q CB -3.158 25.607 28.738 0.045 0.000 1.256 427 Q HN 0.289 8.553 8.270 0.097 0.064 0.475 428 G N -5.664 103.187 108.800 0.086 0.000 2.189 428 G HA2 -0.357 3.626 3.960 0.039 0.000 0.267 428 G HA3 -0.357 3.622 3.960 0.032 0.000 0.267 428 G C 0.028 174.943 174.900 0.026 0.000 0.975 428 G CA 0.450 45.578 45.100 0.046 0.000 0.644 428 G HN 0.228 8.587 8.290 0.114 0.000 0.537 429 R N -1.174 119.358 120.500 0.053 0.000 2.276 429 R HA -0.083 4.258 4.340 0.002 0.000 0.203 429 R C -0.948 175.306 176.300 -0.077 0.000 1.017 429 R CA 0.492 56.600 56.100 0.013 0.000 1.010 429 R CB 0.726 31.060 30.300 0.056 0.000 0.900 429 R HN -0.211 7.958 8.270 0.104 0.163 0.469 430 V N -2.745 117.088 119.914 -0.136 0.000 2.569 430 V HA 0.210 4.139 4.120 -0.319 0.000 0.301 430 V C -0.695 175.242 176.094 -0.261 0.000 1.044 430 V CA -0.779 61.313 62.300 -0.346 0.000 0.874 430 V CB 2.436 33.751 31.823 -0.846 0.000 1.002 430 V HN -0.645 7.455 8.190 -0.063 0.052 0.424 431 T N 2.814 117.235 114.554 -0.221 0.000 3.016 431 T HA 0.203 4.488 4.350 -0.108 0.000 0.271 431 T C 0.335 174.954 174.700 -0.135 0.000 0.968 431 T CA -0.805 61.211 62.100 -0.140 0.000 0.891 431 T CB 1.546 70.350 68.868 -0.107 0.000 1.149 431 T HN 0.558 8.650 8.240 -0.246 0.000 0.524 432 Q N 1.106 120.799 119.800 -0.178 0.000 2.397 432 Q HA 0.213 4.490 4.340 -0.106 0.000 0.275 432 Q C -1.728 174.187 176.000 -0.142 0.000 1.090 432 Q CA -1.293 54.426 55.803 -0.140 0.000 0.809 432 Q CB 3.453 32.102 28.738 -0.147 0.000 1.362 432 Q HN -0.760 7.373 8.270 -0.228 0.000 0.431 433 A N 2.465 125.232 122.820 -0.088 0.000 2.498 433 A HA -0.112 4.168 4.320 -0.067 0.000 0.239 433 A C -1.018 176.529 177.584 -0.062 0.000 1.068 433 A CA 0.708 52.707 52.037 -0.063 0.000 0.766 433 A CB 0.331 19.314 19.000 -0.028 0.000 1.003 433 A HN 0.091 8.199 8.150 -0.070 0.000 0.497 434 S N -0.276 115.394 115.700 -0.049 0.000 2.560 434 S HA 0.078 4.540 4.470 -0.013 0.000 0.283 434 S C 1.003 175.598 174.600 -0.008 0.000 1.141 434 S CA -0.693 57.489 58.200 -0.030 0.000 0.902 434 S CB 1.076 64.249 63.200 -0.045 0.000 1.104 434 S HN -0.286 7.999 8.310 -0.041 0.000 0.454 435 V N 4.148 124.062 119.914 0.000 0.000 2.867 435 V HA -0.213 3.926 4.120 0.032 0.000 0.260 435 V C -0.146 175.966 176.094 0.031 0.000 1.099 435 V CA 2.419 64.725 62.300 0.010 0.000 1.122 435 V CB -0.245 31.569 31.823 -0.015 0.000 0.708 435 V HN 0.577 8.765 8.190 -0.003 0.000 0.490 436 K N -2.793 117.610 120.400 0.004 0.000 2.418 436 K HA -0.093 4.286 4.320 0.099 0.000 0.195 436 K C -0.036 176.655 176.600 0.152 0.000 1.035 436 K CA 0.527 56.844 56.287 0.051 0.000 1.003 436 K CB 0.103 32.528 32.500 -0.124 0.000 0.793 436 K HN -0.571 7.597 8.250 -0.020 0.069 0.494 437 N N 0.186 118.910 118.700 0.039 0.000 2.497 437 N HA -0.003 4.825 4.740 -0.208 -0.213 0.268 437 N C -0.603 175.080 175.510 0.289 0.000 1.171 437 N CA 0.566 53.598 53.050 -0.030 0.000 0.948 437 N CB 0.273 38.658 38.487 -0.170 0.000 1.069 437 N HN -0.834 7.517 8.380 0.017 0.040 0.460 438 F N -1.315 118.826 119.950 0.319 0.000 2.693 438 F HA 0.409 5.111 4.527 0.292 0.000 0.309 438 F C -2.862 173.131 175.800 0.321 0.000 1.129 438 F CA -1.823 56.360 58.000 0.304 0.000 0.948 438 F CB 1.697 40.817 39.000 0.201 0.000 1.315 438 F HN 0.452 8.731 8.300 -0.034 0.000 0.447 439 Q N -0.092 119.998 119.800 0.482 0.000 2.337 439 Q HA 0.711 5.442 4.340 0.346 -0.183 0.270 439 Q C -1.343 174.842 176.000 0.309 0.000 1.043 439 Q CA -1.437 54.558 55.803 0.319 0.000 0.794 439 Q CB 3.902 32.680 28.738 0.066 0.000 1.281 439 Q HN 0.470 8.987 8.270 0.411 0.000 0.446 440 I N 3.911 124.654 120.570 0.289 0.000 2.336 440 I HA 0.419 4.821 4.170 0.094 -0.175 0.292 440 I C -1.179 175.011 176.117 0.123 0.000 0.991 440 I CA -2.553 58.835 61.300 0.147 0.000 1.227 440 I CB 0.325 38.389 38.000 0.106 0.000 1.366 440 I HN 0.630 9.032 8.210 0.320 0.000 0.466 441 V N -1.715 118.263 119.914 0.106 0.000 3.130 441 V HA 0.614 4.847 4.120 0.189 0.000 0.310 441 V C -1.876 174.303 176.094 0.142 0.000 1.158 441 V CA -3.574 58.816 62.300 0.150 0.000 1.029 441 V CB 4.061 35.971 31.823 0.145 0.000 1.057 441 V HN 0.527 8.770 8.190 0.087 0.000 0.436 442 H N 2.582 121.716 119.070 0.107 0.000 2.548 442 H HA 0.241 4.835 4.556 0.063 0.000 0.331 442 H C 0.794 176.182 175.328 0.101 0.000 1.093 442 H CA 0.066 56.162 56.048 0.080 0.000 1.367 442 H CB 2.414 32.206 29.762 0.050 0.000 1.455 442 H HN 0.404 8.877 8.280 0.321 0.000 0.519 443 A N 7.518 130.287 122.820 -0.085 0.000 2.024 443 A HA -0.232 4.129 4.320 0.069 0.000 0.220 443 A C 0.492 178.166 177.584 0.150 0.000 1.164 443 A CA 2.387 54.451 52.037 0.045 0.000 0.643 443 A CB -0.171 18.818 19.000 -0.017 0.000 0.806 443 A HN 0.699 8.598 8.150 -0.419 0.000 0.451 444 D N -3.135 117.480 120.400 0.358 0.000 2.355 444 D HA 0.014 4.749 4.640 0.159 0.000 0.218 444 D C -0.536 175.855 176.300 0.150 0.000 1.004 444 D CA 1.185 55.330 54.000 0.241 0.000 0.880 444 D CB 0.505 41.442 40.800 0.229 0.000 0.911 444 D HN -0.506 8.265 8.370 0.730 0.037 0.528 445 D N -2.030 118.476 120.400 0.177 0.000 2.411 445 D HA 0.422 5.119 4.640 0.096 0.000 0.239 445 D C -1.935 174.456 176.300 0.152 0.000 1.307 445 D CA -2.203 51.872 54.000 0.124 0.000 0.930 445 D CB 1.287 42.135 40.800 0.081 0.000 1.395 445 D HN -0.479 7.883 8.370 0.239 0.152 0.536 446 P HA 0.157 4.646 4.420 0.115 0.000 0.241 446 P C -0.577 176.779 177.300 0.095 0.000 1.191 446 P CA 0.690 63.852 63.100 0.102 0.000 0.771 446 P CB 0.545 32.286 31.700 0.068 0.000 0.929 447 D N -2.243 118.222 120.400 0.108 0.000 2.349 447 D HA 0.102 4.779 4.640 0.061 0.000 0.214 447 D C -1.494 174.892 176.300 0.143 0.000 1.063 447 D CA 0.419 54.475 54.000 0.094 0.000 0.847 447 D CB 1.053 41.899 40.800 0.077 0.000 0.933 447 D HN -0.374 8.233 8.370 0.114 -0.169 0.513 448 Y N 1.956 122.283 120.300 0.044 0.000 2.417 448 Y HA 0.056 4.632 4.550 0.044 0.000 0.336 448 Y C -1.907 174.031 175.900 0.062 0.000 0.961 448 Y CA -0.426 57.704 58.100 0.051 0.000 1.215 448 Y CB 0.828 39.322 38.460 0.057 0.000 1.120 448 Y HN -0.847 7.608 8.280 0.291 0.000 0.499 449 I N 7.732 128.186 120.570 -0.193 0.000 2.308 449 I HA -0.033 4.143 4.170 0.010 0.000 0.293 449 I C -0.214 175.789 176.117 -0.190 0.000 1.078 449 I CA -1.648 59.589 61.300 -0.105 0.000 1.292 449 I CB -1.759 36.197 38.000 -0.074 0.000 1.423 449 I HN 0.411 8.460 8.210 -0.267 0.000 0.493 450 V N 6.388 126.302 119.914 0.001 0.000 2.427 450 V HA -0.272 3.858 4.120 0.016 0.000 0.248 450 V C -0.684 175.467 176.094 0.096 0.000 1.051 450 V CA 2.941 65.283 62.300 0.069 0.000 1.048 450 V CB 0.697 32.626 31.823 0.176 0.000 0.666 450 V HN 0.010 8.260 8.190 0.099 0.000 0.456 451 L N -4.105 117.201 121.223 0.139 0.000 2.505 451 L HA 0.604 5.242 4.340 0.200 -0.178 0.266 451 L C -3.157 173.856 176.870 0.238 0.000 0.954 451 L CA -1.116 53.850 54.840 0.211 0.000 0.852 451 L CB 3.802 46.015 42.059 0.257 0.000 1.282 451 L HN -0.880 7.436 8.230 0.144 0.000 0.403 452 Q N 6.576 126.476 119.800 0.166 0.000 2.340 452 Q HA 0.773 5.364 4.340 0.117 -0.180 0.268 452 Q C -2.378 173.644 176.000 0.037 0.000 1.031 452 Q CA -1.863 54.008 55.803 0.113 0.000 0.804 452 Q CB 4.148 32.972 28.738 0.145 0.000 1.286 452 Q HN 0.449 8.817 8.270 0.163 0.000 0.448 453 F N 7.047 126.710 119.950 -0.478 0.000 2.581 453 F HA 1.045 5.647 4.527 -0.258 -0.229 0.311 453 F C -2.095 173.462 175.800 -0.404 0.000 1.113 453 F CA -2.448 55.233 58.000 -0.531 0.000 0.935 453 F CB 4.547 42.914 39.000 -1.055 0.000 1.232 453 F HN 0.290 8.381 8.300 -0.348 0.000 0.445 454 G N 3.061 111.338 108.800 -0.871 0.000 2.506 454 G HA2 0.286 3.909 3.960 -0.735 0.000 0.292 454 G HA3 0.286 3.844 3.960 -0.670 0.000 0.292 454 G C -3.370 171.231 174.900 -0.497 0.000 1.425 454 G CA 0.474 45.138 45.100 -0.728 0.000 0.788 454 G HN 0.039 7.810 8.290 -0.864 0.000 0.490 455 R N 0.137 120.421 120.500 -0.360 0.000 2.340 455 R HA 0.222 4.208 4.340 -0.589 0.000 0.300 455 R C 0.221 176.289 176.300 -0.387 0.000 1.069 455 R CA -0.495 55.365 56.100 -0.401 0.000 0.984 455 R CB 1.360 31.486 30.300 -0.289 0.000 1.003 455 R HN -0.019 8.288 8.270 -0.366 -0.257 0.459 456 V N -0.814 118.847 119.914 -0.422 0.000 3.502 456 V HA 0.764 4.743 4.120 -0.234 0.000 0.288 456 V C -1.268 174.675 176.094 -0.251 0.000 1.461 456 V CA -1.441 60.695 62.300 -0.275 0.000 1.029 456 V CB 1.963 33.671 31.823 -0.191 0.000 0.843 456 V HN 0.247 8.105 8.190 -0.554 0.000 0.438 457 A N -0.392 122.222 122.820 -0.343 0.000 2.557 457 A HA 0.219 4.430 4.320 -0.182 0.000 0.292 457 A C -1.340 176.080 177.584 -0.274 0.000 1.139 457 A CA -0.192 51.701 52.037 -0.241 0.000 0.665 457 A CB 1.806 20.707 19.000 -0.164 0.000 1.285 457 A HN -0.685 7.162 8.150 -0.505 0.000 0.433 458 E N -0.426 119.689 120.200 -0.142 0.000 2.130 458 E HA -0.367 3.944 4.350 -0.064 0.000 0.196 458 E C -0.043 176.530 176.600 -0.044 0.000 0.998 458 E CA 2.934 59.291 56.400 -0.073 0.000 0.806 458 E CB -0.084 29.605 29.700 -0.018 0.000 0.738 458 E HN 0.412 8.708 8.360 -0.106 0.000 0.459 459 D N -4.134 116.231 120.400 -0.059 0.000 2.673 459 D HA 0.147 4.930 4.640 0.237 0.000 0.278 459 D C -2.281 174.065 176.300 0.077 0.000 1.393 459 D CA -0.644 53.413 54.000 0.096 0.000 0.805 459 D CB -0.120 40.758 40.800 0.130 0.000 1.110 459 D HN 0.056 8.361 8.370 -0.086 0.014 0.476 460 A N -2.186 120.434 122.820 -0.332 0.000 2.515 460 A HA 0.897 5.507 4.320 0.185 -0.180 0.298 460 A C -2.488 174.661 177.584 -0.724 0.000 1.059 460 A CA -0.892 51.021 52.037 -0.206 0.000 0.698 460 A CB 3.607 22.567 19.000 -0.066 0.000 1.289 460 A HN -0.849 6.959 8.150 -0.570 0.000 0.404 461 F N -2.358 117.634 119.950 0.070 0.000 2.626 461 F HA 0.801 5.331 4.527 -0.219 -0.135 0.311 461 F C -0.567 175.223 175.800 -0.017 0.000 1.088 461 F CA -1.156 56.782 58.000 -0.102 0.000 0.949 461 F CB 5.256 44.151 39.000 -0.176 0.000 1.322 461 F HN 0.520 9.025 8.300 0.341 0.000 0.461 462 T N -0.884 113.697 114.554 0.045 0.000 2.929 462 T HA 0.531 5.134 4.350 0.178 -0.146 0.284 462 T C -1.458 173.374 174.700 0.220 0.000 1.014 462 T CA -1.751 60.420 62.100 0.117 0.000 1.051 462 T CB 1.876 70.765 68.868 0.035 0.000 1.028 462 T HN 0.542 8.725 8.240 -0.095 0.000 0.485 463 L N 3.534 124.936 121.223 0.298 0.000 2.491 463 L HA 0.733 5.513 4.340 0.398 -0.202 0.267 463 L C -2.636 174.399 176.870 0.275 0.000 0.971 463 L CA -0.428 54.634 54.840 0.370 0.000 0.857 463 L CB 3.630 45.950 42.059 0.435 0.000 1.226 463 L HN 0.124 8.507 8.230 0.255 0.000 0.408 464 D N 7.888 128.422 120.400 0.223 0.000 2.629 464 D HA 0.816 5.739 4.640 0.117 -0.212 0.250 464 D C -1.121 175.288 176.300 0.181 0.000 1.126 464 D CA -1.215 52.871 54.000 0.144 0.000 0.852 464 D CB 3.516 44.361 40.800 0.074 0.000 1.335 464 D HN 0.210 8.708 8.370 0.213 0.000 0.518 465 Y N -0.793 119.536 120.300 0.048 0.000 2.545 465 Y HA 0.861 5.577 4.550 0.024 -0.152 0.348 465 Y C -2.445 173.462 175.900 0.011 0.000 1.002 465 Y CA -2.526 55.591 58.100 0.028 0.000 1.039 465 Y CB 3.527 42.005 38.460 0.030 0.000 1.271 465 Y HN 0.495 8.692 8.280 -0.139 0.000 0.467 466 R N -1.675 118.911 120.500 0.142 0.000 2.888 466 R HA 0.497 4.863 4.340 0.043 0.000 0.264 466 R C -0.768 175.689 176.300 0.262 0.000 1.045 466 R CA -2.519 53.641 56.100 0.099 0.000 0.962 466 R CB 4.628 34.872 30.300 -0.093 0.000 1.210 466 R HN 0.119 8.510 8.270 0.201 0.000 0.479 467 Y N 2.481 122.899 120.300 0.198 0.000 2.811 467 Y HA -0.145 4.542 4.550 0.151 -0.047 0.334 467 Y C -0.653 175.392 175.900 0.241 0.000 1.247 467 Y CA 0.367 58.581 58.100 0.190 0.000 1.526 467 Y CB 0.796 39.344 38.460 0.146 0.000 1.284 467 Y HN 0.421 8.950 8.280 0.414 0.000 0.586 468 P HA 0.085 3.049 4.420 -2.427 0.000 0.255 468 P C -1.412 175.636 177.300 -0.420 0.000 1.248 468 P CA -0.319 62.096 63.100 -1.141 0.000 0.807 468 P CB 0.559 31.728 31.700 -0.884 0.000 1.150 469 L N -1.017 120.126 121.223 -0.133 0.000 2.436 469 L HA 0.095 4.511 4.340 -0.155 -0.169 0.265 469 L C 0.488 177.315 176.870 -0.071 0.000 1.168 469 L CA -0.201 54.582 54.840 -0.097 0.000 0.815 469 L CB 0.932 42.959 42.059 -0.054 0.000 1.109 469 L HN -0.502 7.650 8.230 -0.044 0.052 0.462 470 C N -1.944 117.219 119.300 -0.229 0.000 2.407 470 C HA 0.639 5.092 4.460 -0.190 -0.108 0.366 470 C C 0.791 175.354 174.990 -0.712 0.000 1.213 470 C CA -3.224 55.601 59.018 -0.322 0.000 2.011 470 C CB 3.058 30.668 27.740 -0.218 0.000 2.306 470 C HN 0.076 8.422 8.230 -0.232 -0.255 0.527 471 A N 1.281 123.675 122.820 -0.710 0.000 1.883 471 A HA -0.306 3.336 4.320 -1.131 0.000 0.217 471 A C 1.916 179.288 177.584 -0.354 0.000 1.186 471 A CA 3.347 54.990 52.037 -0.656 0.000 0.624 471 A CB -0.738 18.151 19.000 -0.186 0.000 0.822 471 A HN 0.760 8.623 8.150 -0.478 0.000 0.444 472 L N -2.046 119.039 121.223 -0.229 0.000 2.012 472 L HA -0.409 3.904 4.340 -0.044 0.000 0.210 472 L C 1.911 178.709 176.870 -0.121 0.000 1.073 472 L CA 3.111 57.883 54.840 -0.113 0.000 0.748 472 L CB -0.452 41.550 42.059 -0.095 0.000 0.891 472 L HN -0.136 7.959 8.230 -0.225 0.000 0.431 473 Q N -1.813 117.871 119.800 -0.195 0.000 2.050 473 Q HA -0.438 3.798 4.340 -0.174 0.000 0.202 473 Q C 2.258 178.134 176.000 -0.207 0.000 0.980 473 Q CA 3.384 59.070 55.803 -0.196 0.000 0.840 473 Q CB -0.213 28.405 28.738 -0.201 0.000 0.898 473 Q HN -0.676 7.460 8.270 -0.224 0.000 0.424 474 A N -0.023 122.634 122.820 -0.272 0.000 1.877 474 A HA -0.269 3.964 4.320 -0.146 0.000 0.216 474 A C 1.878 179.398 177.584 -0.106 0.000 1.186 474 A CA 3.040 54.956 52.037 -0.203 0.000 0.620 474 A CB -0.764 18.034 19.000 -0.336 0.000 0.822 474 A HN -0.250 7.669 8.150 -0.385 0.000 0.443 475 F N -0.139 119.650 119.950 -0.267 0.000 2.102 475 F HA -0.460 3.925 4.527 -0.236 0.000 0.298 475 F C 1.222 176.829 175.800 -0.322 0.000 1.105 475 F CA 2.122 59.969 58.000 -0.254 0.000 1.239 475 F CB -0.085 38.788 39.000 -0.211 0.000 0.991 475 F HN -0.071 8.238 8.300 0.016 0.000 0.474 476 A N -0.443 122.202 122.820 -0.291 0.000 1.902 476 A HA -0.350 3.591 4.320 -0.633 0.000 0.217 476 A C 2.156 179.454 177.584 -0.476 0.000 1.181 476 A CA 3.108 54.877 52.037 -0.446 0.000 0.623 476 A CB -0.857 17.983 19.000 -0.268 0.000 0.818 476 A HN -0.348 7.725 8.150 -0.129 0.000 0.443 477 I N -1.712 118.642 120.570 -0.360 0.000 2.179 477 I HA -0.581 3.347 4.170 -0.403 0.000 0.242 477 I C 1.990 177.872 176.117 -0.390 0.000 1.088 477 I CA 3.891 64.976 61.300 -0.358 0.000 1.357 477 I CB -0.188 37.659 38.000 -0.255 0.000 1.051 477 I HN -0.253 7.783 8.210 -0.290 0.000 0.409 478 A N 0.102 122.670 122.820 -0.419 0.000 1.908 478 A HA -0.342 3.613 4.320 -0.607 0.000 0.218 478 A C 1.829 179.019 177.584 -0.656 0.000 1.181 478 A CA 3.285 54.895 52.037 -0.712 0.000 0.627 478 A CB -0.821 17.518 19.000 -1.102 0.000 0.818 478 A HN -0.335 7.593 8.150 -0.370 0.000 0.445 479 L N -3.097 117.673 121.223 -0.755 0.000 2.141 479 L HA -0.329 3.566 4.340 -0.742 0.000 0.209 479 L C 2.426 178.898 176.870 -0.663 0.000 1.094 479 L CA 2.383 56.694 54.840 -0.882 0.000 0.763 479 L CB -0.587 40.610 42.059 -1.436 0.000 0.908 479 L HN -0.115 7.539 8.230 -0.818 0.086 0.437 480 S N -1.275 113.998 115.700 -0.713 0.000 2.469 480 S HA -0.288 3.519 4.470 -1.105 0.000 0.238 480 S C 1.077 175.342 174.600 -0.558 0.000 0.998 480 S CA 3.138 60.778 58.200 -0.933 0.000 0.957 480 S CB -0.239 62.228 63.200 -1.221 0.000 0.764 480 S HN -0.344 7.529 8.310 -0.700 0.017 0.514 481 S N 0.596 116.091 115.700 -0.342 0.000 2.562 481 S HA -0.016 4.234 4.470 -0.366 0.000 0.221 481 S C 0.084 174.481 174.600 -0.338 0.000 0.975 481 S CA 1.109 59.133 58.200 -0.293 0.000 0.918 481 S CB 0.566 63.711 63.200 -0.091 0.000 0.772 481 S HN -0.526 7.424 8.310 -0.340 0.156 0.531 482 F N 2.976 122.786 119.950 -0.233 0.000 2.371 482 F HA -0.070 4.426 4.527 -0.051 0.000 0.329 482 F C 0.349 176.133 175.800 -0.028 0.000 1.107 482 F CA 1.089 59.027 58.000 -0.103 0.000 1.137 482 F CB 1.110 40.046 39.000 -0.107 0.000 1.214 482 F HN -0.764 7.480 8.300 -0.009 0.051 0.536 483 D N 0.000 120.524 120.400 0.207 0.000 6.856 483 D HA 0.000 4.694 4.640 0.090 0.000 0.175 483 D CA 0.000 54.087 54.000 0.146 0.000 0.868 483 D CB 0.000 40.871 40.800 0.118 0.000 0.688 483 D HN 0.000 8.513 8.370 0.238 0.000 0.683