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 3omk_1_C DATA FIRST_RESID 247 DATA SEQUENCE MELTPDQQTL LHFIMDSYNK QRMPQEITNK ILKEAFSAEE NFLILTEMAT DATA SEQUENCE NHVQVLVEFT KKLPGFQTLD HEDQIALLKG SAVEAMFLRS AEIFNKKLPS DATA SEQUENCE GHSDLLEARI RNSGISDEYI TPMFSFYKSI GELKMTQEEY ALLTAIVILS DATA SEQUENCE PDRQYIKDRE AVEKLQEPLL DVLQKLCKIH QPENPQHFAC LLGRLTELRT DATA SEQUENCE FNHHHAEMLM SWRVNDHKFT PLLCEIWDVQ 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 247 M HA 0.000 nan 4.480 nan 0.000 0.227 247 M C 0.000 176.266 176.300 -0.056 0.000 1.140 247 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 247 M CB 0.000 32.563 32.600 -0.062 0.000 1.302 248 E N 0.959 121.128 120.200 -0.053 0.000 2.321 248 E HA 0.540 4.888 4.350 -0.003 0.000 0.278 248 E C -1.617 174.954 176.600 -0.048 0.000 0.902 248 E CA -0.495 55.874 56.400 -0.051 0.000 0.758 248 E CB 2.242 31.919 29.700 -0.039 0.000 1.213 248 E HN 0.633 nan 8.360 nan 0.000 0.426 249 L N 2.793 123.987 121.223 -0.050 0.000 2.461 249 L HA 0.181 4.519 4.340 -0.003 0.000 0.272 249 L C 0.972 177.822 176.870 -0.035 0.000 1.197 249 L CA 0.018 54.830 54.840 -0.046 0.000 0.836 249 L CB 0.639 42.667 42.059 -0.052 0.000 1.105 249 L HN 0.691 nan 8.230 nan 0.000 0.477 250 T N -0.813 113.722 114.554 -0.032 0.000 2.882 250 T HA 0.217 4.565 4.350 -0.003 0.000 0.287 250 T C -1.800 172.888 174.700 -0.020 0.000 1.014 250 T CA -1.711 60.375 62.100 -0.023 0.000 1.049 250 T CB 1.349 70.204 68.868 -0.021 0.000 1.001 250 T HN 0.353 nan 8.240 nan 0.000 0.525 251 P HA -0.100 nan 4.420 nan 0.000 0.217 251 P C 0.839 178.136 177.300 -0.006 0.000 1.151 251 P CA 1.119 64.218 63.100 -0.002 0.000 0.849 251 P CB 0.004 31.706 31.700 0.003 0.000 0.787 252 D N -1.342 119.050 120.400 -0.012 0.000 2.149 252 D HA -0.118 4.520 4.640 -0.003 0.000 0.201 252 D C 2.097 178.383 176.300 -0.023 0.000 0.972 252 D CA 0.983 54.973 54.000 -0.017 0.000 0.835 252 D CB -0.517 40.272 40.800 -0.019 0.000 0.966 252 D HN 0.278 nan 8.370 nan 0.000 0.476 253 Q N -0.186 119.598 119.800 -0.028 0.000 2.167 253 Q HA -0.163 4.175 4.340 -0.003 0.000 0.202 253 Q C 2.015 177.977 176.000 -0.062 0.000 0.970 253 Q CA 0.906 56.688 55.803 -0.034 0.000 0.855 253 Q CB -0.006 28.711 28.738 -0.035 0.000 0.911 253 Q HN 0.220 nan 8.270 nan 0.000 0.438 254 Q N -0.100 119.653 119.800 -0.079 0.000 2.119 254 Q HA -0.124 4.214 4.340 -0.003 0.000 0.201 254 Q C 1.734 177.617 176.000 -0.196 0.000 0.972 254 Q CA 1.783 57.488 55.803 -0.164 0.000 0.847 254 Q CB 0.107 28.798 28.738 -0.079 0.000 0.903 254 Q HN 0.271 nan 8.270 nan 0.000 0.433 255 T N 0.714 115.250 114.554 -0.030 0.000 2.777 255 T HA -0.119 4.229 4.350 -0.003 0.000 0.266 255 T C 1.562 176.306 174.700 0.073 0.000 1.040 255 T CA 1.080 63.215 62.100 0.058 0.000 1.141 255 T CB -0.324 68.564 68.868 0.033 0.000 0.868 255 T HN 0.242 nan 8.240 nan 0.000 0.444 256 L N 1.501 122.741 121.223 0.029 0.000 1.994 256 L HA 0.018 4.356 4.340 -0.003 0.000 0.208 256 L C 2.223 179.159 176.870 0.110 0.000 1.071 256 L CA 1.532 56.419 54.840 0.078 0.000 0.745 256 L CB -1.118 40.960 42.059 0.031 0.000 0.892 256 L HN 0.170 nan 8.230 nan 0.000 0.431 257 L N -0.354 120.866 121.223 -0.005 0.000 1.997 257 L HA -0.291 4.047 4.340 -0.003 0.000 0.216 257 L C 2.609 179.495 176.870 0.027 0.000 1.074 257 L CA 2.099 56.917 54.840 -0.037 0.000 0.763 257 L CB -1.268 40.697 42.059 -0.157 0.000 0.890 257 L HN 0.460 nan 8.230 nan 0.000 0.434 258 H N -1.644 117.501 119.070 0.126 0.000 2.421 258 H HA -0.153 4.401 4.556 -0.002 0.000 0.298 258 H C 2.046 177.470 175.328 0.161 0.000 1.087 258 H CA 1.697 57.821 56.048 0.126 0.000 1.330 258 H CB -0.622 29.207 29.762 0.112 0.000 1.388 258 H HN 0.497 nan 8.280 nan 0.000 0.526 259 F N 1.137 121.173 119.950 0.144 0.000 2.146 259 F HA -0.087 4.439 4.527 -0.003 0.000 0.298 259 F C 2.354 178.204 175.800 0.083 0.000 1.096 259 F CA 0.780 58.835 58.000 0.091 0.000 1.275 259 F CB -0.503 38.526 39.000 0.048 0.000 1.008 259 F HN -0.039 nan 8.300 nan 0.000 0.480 260 I N -0.424 120.187 120.570 0.068 0.000 2.226 260 I HA -0.332 3.836 4.170 -0.003 0.000 0.245 260 I C 2.280 178.485 176.117 0.146 0.000 1.100 260 I CA 0.911 62.221 61.300 0.016 0.000 1.374 260 I CB -0.377 37.676 38.000 0.088 0.000 1.057 260 I HN 0.156 nan 8.210 nan 0.000 0.413 261 M N 0.017 119.711 119.600 0.158 0.000 2.117 261 M HA -0.215 4.263 4.480 -0.003 0.000 0.262 261 M C 1.827 178.233 176.300 0.178 0.000 1.065 261 M CA 1.776 57.194 55.300 0.196 0.000 1.114 261 M CB -1.382 31.334 32.600 0.194 0.000 1.361 261 M HN 0.155 nan 8.290 nan 0.000 0.408 262 D N -0.161 120.294 120.400 0.091 0.000 2.092 262 D HA -0.127 4.511 4.640 -0.003 0.000 0.193 262 D C 2.200 178.509 176.300 0.016 0.000 0.994 262 D CA 1.551 55.569 54.000 0.030 0.000 0.828 262 D CB -0.364 40.421 40.800 -0.025 0.000 0.963 262 D HN 0.201 nan 8.370 nan 0.000 0.450 263 S N -1.109 114.569 115.700 -0.037 0.000 2.370 263 S HA -0.198 4.270 4.470 -0.003 0.000 0.226 263 S C 1.841 176.600 174.600 0.265 0.000 1.033 263 S CA 0.721 58.947 58.200 0.044 0.000 1.011 263 S CB -0.397 62.756 63.200 -0.078 0.000 0.852 263 S HN 0.315 nan 8.310 nan 0.000 0.457 264 Y N 2.594 123.029 120.300 0.225 0.000 2.293 264 Y HA 0.014 4.563 4.550 -0.002 0.000 0.291 264 Y C 1.903 177.788 175.900 -0.025 0.000 1.137 264 Y CA 1.297 59.429 58.100 0.052 0.000 1.202 264 Y CB -0.240 38.263 38.460 0.072 0.000 0.990 264 Y HN 0.282 nan 8.280 nan 0.000 0.537 265 N N 0.239 118.991 118.700 0.088 0.000 2.521 265 N HA -0.084 4.654 4.740 -0.003 0.000 0.188 265 N C 0.860 176.336 175.510 -0.057 0.000 1.146 265 N CA 0.590 53.642 53.050 0.004 0.000 0.893 265 N CB 0.004 38.525 38.487 0.058 0.000 0.975 265 N HN 0.445 nan 8.380 nan 0.000 0.451 266 K N 0.662 121.018 120.400 -0.073 0.000 2.444 266 K HA 0.079 4.397 4.320 -0.003 0.000 0.193 266 K C 0.420 176.944 176.600 -0.127 0.000 1.024 266 K CA 0.109 56.348 56.287 -0.079 0.000 1.077 266 K CB 0.359 32.826 32.500 -0.054 0.000 0.833 266 K HN 0.369 nan 8.250 nan 0.000 0.517 267 Q N 1.354 121.033 119.800 -0.201 0.000 2.340 267 Q HA 0.116 4.454 4.340 -0.003 0.000 0.249 267 Q C -0.031 175.876 176.000 -0.155 0.000 0.957 267 Q CA -0.260 55.408 55.803 -0.225 0.000 0.882 267 Q CB 1.055 29.573 28.738 -0.367 0.000 1.235 267 Q HN 0.070 nan 8.270 nan 0.000 0.439 268 R N 1.831 122.258 120.500 -0.122 0.000 2.523 268 R HA -0.084 4.254 4.340 -0.003 0.000 0.281 268 R C -0.128 176.116 176.300 -0.092 0.000 0.969 268 R CA -0.141 55.904 56.100 -0.090 0.000 1.093 268 R CB 0.343 30.597 30.300 -0.077 0.000 0.917 268 R HN 0.533 nan 8.270 nan 0.000 0.408 269 M N 8.086 127.643 119.600 -0.071 0.000 2.248 269 M HA 0.092 4.570 4.480 -0.003 0.000 0.345 269 M C -1.748 174.516 176.300 -0.059 0.000 1.243 269 M CA -1.340 53.922 55.300 -0.063 0.000 1.090 269 M CB 1.009 33.583 32.600 -0.043 0.000 1.683 269 M HN 0.504 nan 8.290 nan 0.000 0.450 270 P HA -0.196 nan 4.420 nan 0.000 0.216 270 P C 0.646 177.929 177.300 -0.028 0.000 1.150 270 P CA 1.694 64.760 63.100 -0.057 0.000 0.837 270 P CB -0.125 31.533 31.700 -0.070 0.000 0.786 271 Q N 0.013 119.800 119.800 -0.022 0.000 2.077 271 Q HA -0.238 4.100 4.340 -0.003 0.000 0.206 271 Q C 2.370 178.373 176.000 0.006 0.000 0.989 271 Q CA 1.843 57.644 55.803 -0.004 0.000 0.853 271 Q CB -0.518 28.216 28.738 -0.006 0.000 0.907 271 Q HN 0.428 nan 8.270 nan 0.000 0.418 272 E N 0.966 121.162 120.200 -0.006 0.000 2.035 272 E HA -0.254 4.094 4.350 -0.003 0.000 0.204 272 E C 1.951 178.554 176.600 0.006 0.000 1.025 272 E CA 1.475 57.873 56.400 -0.003 0.000 0.835 272 E CB -0.299 29.390 29.700 -0.019 0.000 0.764 272 E HN 0.404 nan 8.360 nan 0.000 0.457 273 I N 0.942 121.510 120.570 -0.004 0.000 2.226 273 I HA -0.244 3.924 4.170 -0.003 0.000 0.245 273 I C 2.478 178.620 176.117 0.042 0.000 1.100 273 I CA 2.053 63.357 61.300 0.007 0.000 1.374 273 I CB -0.425 37.566 38.000 -0.014 0.000 1.057 273 I HN 0.454 nan 8.210 nan 0.000 0.413 274 T N -1.650 112.931 114.554 0.046 0.000 2.962 274 T HA -0.103 4.245 4.350 -0.003 0.000 0.270 274 T C 1.660 176.410 174.700 0.083 0.000 1.088 274 T CA 1.017 63.162 62.100 0.075 0.000 1.127 274 T CB -0.450 68.458 68.868 0.068 0.000 0.883 274 T HN 0.291 nan 8.240 nan 0.000 0.493 275 N N 1.804 120.545 118.700 0.068 0.000 2.080 275 N HA -0.028 4.710 4.740 -0.003 0.000 0.189 275 N C 1.773 177.335 175.510 0.086 0.000 1.036 275 N CA 1.503 54.595 53.050 0.071 0.000 0.846 275 N CB -0.404 38.116 38.487 0.055 0.000 1.015 275 N HN 0.561 nan 8.380 nan 0.000 0.423 276 K N 0.953 121.412 120.400 0.100 0.000 2.032 276 K HA -0.017 4.301 4.320 -0.003 0.000 0.209 276 K C 1.977 178.726 176.600 0.248 0.000 1.048 276 K CA 1.135 57.520 56.287 0.163 0.000 0.927 276 K CB -0.236 32.334 32.500 0.118 0.000 0.712 276 K HN 0.109 nan 8.250 nan 0.000 0.441 277 I N 0.689 121.379 120.570 0.200 0.000 2.286 277 I HA -0.263 3.905 4.170 -0.003 0.000 0.248 277 I C 2.066 178.270 176.117 0.147 0.000 1.115 277 I CA 1.030 62.465 61.300 0.227 0.000 1.392 277 I CB -0.164 37.950 38.000 0.190 0.000 1.065 277 I HN 0.183 nan 8.210 nan 0.000 0.418 278 L N 0.570 121.845 121.223 0.086 0.000 2.131 278 L HA -0.153 4.185 4.340 -0.003 0.000 0.206 278 L C 2.580 179.433 176.870 -0.028 0.000 1.087 278 L CA 0.950 55.792 54.840 0.003 0.000 0.767 278 L CB -0.536 41.498 42.059 -0.041 0.000 0.917 278 L HN 0.224 nan 8.230 nan 0.000 0.441 279 K N 1.368 121.772 120.400 0.007 0.000 1.977 279 K HA -0.188 4.130 4.320 -0.003 0.000 0.218 279 K C 0.662 177.215 176.600 -0.078 0.000 1.051 279 K CA 1.694 57.971 56.287 -0.016 0.000 0.953 279 K CB -0.015 32.502 32.500 0.029 0.000 0.727 279 K HN 0.414 nan 8.250 nan 0.000 0.445 280 E N -0.460 119.651 120.200 -0.149 0.000 2.367 280 E HA 0.504 4.852 4.350 -0.003 0.000 0.273 280 E C -1.708 174.601 176.600 -0.486 0.000 0.903 280 E CA -1.057 55.153 56.400 -0.317 0.000 0.764 280 E CB 1.868 31.329 29.700 -0.398 0.000 1.252 280 E HN 0.296 nan 8.360 nan 0.000 0.446 281 A N 2.304 124.889 122.820 -0.391 0.000 2.327 281 A HA 0.603 4.921 4.320 -0.003 0.000 0.283 281 A C -1.114 176.205 177.584 -0.443 0.000 1.127 281 A CA -0.430 51.443 52.037 -0.273 0.000 0.810 281 A CB -0.017 18.923 19.000 -0.100 0.000 1.066 281 A HN 0.472 nan 8.150 nan 0.000 0.492 282 F N 0.392 120.377 119.950 0.059 0.000 2.575 282 F HA 0.537 5.062 4.527 -0.003 0.000 0.330 282 F C 1.144 176.992 175.800 0.080 0.000 1.056 282 F CA -0.222 57.818 58.000 0.067 0.000 0.964 282 F CB 1.818 40.865 39.000 0.079 0.000 1.258 282 F HN 0.660 nan 8.300 nan 0.000 0.484 283 S N 0.469 116.340 115.700 0.285 0.000 2.645 283 S HA 0.515 4.983 4.470 -0.003 0.000 0.266 283 S C 0.991 175.739 174.600 0.246 0.000 1.258 283 S CA -0.258 58.061 58.200 0.198 0.000 0.990 283 S CB 1.252 64.539 63.200 0.145 0.000 0.967 283 S HN 0.847 nan 8.310 nan 0.000 0.556 284 A N 0.904 123.860 122.820 0.227 0.000 1.978 284 A HA -0.156 4.162 4.320 -0.003 0.000 0.220 284 A C 2.122 179.939 177.584 0.387 0.000 1.170 284 A CA 1.784 54.032 52.037 0.352 0.000 0.636 284 A CB -1.235 17.915 19.000 0.251 0.000 0.810 284 A HN 1.042 nan 8.150 nan 0.000 0.448 285 E N -0.102 120.220 120.200 0.203 0.000 2.107 285 E HA -0.183 4.165 4.350 -0.003 0.000 0.191 285 E C 1.706 178.380 176.600 0.124 0.000 0.982 285 E CA 1.300 57.770 56.400 0.117 0.000 0.809 285 E CB -0.393 29.332 29.700 0.041 0.000 0.756 285 E HN 0.689 nan 8.360 nan 0.000 0.459 286 E N 0.585 120.865 120.200 0.133 0.000 2.072 286 E HA -0.124 4.224 4.350 -0.003 0.000 0.191 286 E C 1.987 178.577 176.600 -0.018 0.000 0.985 286 E CA 1.039 57.474 56.400 0.059 0.000 0.801 286 E CB -0.002 29.794 29.700 0.161 0.000 0.750 286 E HN 0.239 nan 8.360 nan 0.000 0.452 287 N N 0.308 119.086 118.700 0.130 0.000 2.120 287 N HA -0.164 4.574 4.740 -0.003 0.000 0.188 287 N C 1.585 177.126 175.510 0.051 0.000 1.024 287 N CA 0.832 53.979 53.050 0.162 0.000 0.852 287 N CB -0.349 38.400 38.487 0.437 0.000 1.003 287 N HN 0.120 nan 8.380 nan 0.000 0.424 288 F N 1.613 121.473 119.950 -0.150 0.000 2.171 288 F HA -0.044 4.481 4.527 -0.003 0.000 0.300 288 F C 1.963 177.524 175.800 -0.399 0.000 1.090 288 F CA 1.008 58.656 58.000 -0.586 0.000 1.293 288 F CB -0.060 38.521 39.000 -0.698 0.000 1.013 288 F HN -0.040 nan 8.300 nan 0.000 0.486 289 L N -0.362 120.744 121.223 -0.194 0.000 2.179 289 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 289 L C 2.350 179.056 176.870 -0.274 0.000 1.096 289 L CA 0.803 55.502 54.840 -0.235 0.000 0.779 289 L CB -0.621 41.372 42.059 -0.110 0.000 0.922 289 L HN 0.167 nan 8.230 nan 0.000 0.443 290 I N -0.223 120.194 120.570 -0.256 0.000 2.252 290 I HA -0.290 3.878 4.170 -0.003 0.000 0.245 290 I C 2.511 178.486 176.117 -0.237 0.000 1.102 290 I CA 0.976 62.131 61.300 -0.242 0.000 1.385 290 I CB -0.161 37.684 38.000 -0.259 0.000 1.064 290 I HN 0.223 nan 8.210 nan 0.000 0.414 291 L N 0.992 122.032 121.223 -0.304 0.000 1.976 291 L HA -0.223 4.115 4.340 -0.003 0.000 0.209 291 L C 2.789 179.469 176.870 -0.317 0.000 1.071 291 L CA 2.751 57.401 54.840 -0.316 0.000 0.746 291 L CB -1.209 40.555 42.059 -0.491 0.000 0.890 291 L HN 0.439 nan 8.230 nan 0.000 0.432 292 T N -3.448 110.819 114.554 -0.478 0.000 2.803 292 T HA -0.216 4.132 4.350 -0.003 0.000 0.269 292 T C 1.847 176.383 174.700 -0.273 0.000 1.052 292 T CA 1.375 63.250 62.100 -0.376 0.000 1.136 292 T CB -0.556 68.027 68.868 -0.474 0.000 0.864 292 T HN 0.475 nan 8.240 nan 0.000 0.467 293 E N 0.799 120.854 120.200 -0.242 0.000 2.046 293 E HA -0.045 4.303 4.350 -0.003 0.000 0.190 293 E C 2.249 178.755 176.600 -0.156 0.000 0.982 293 E CA 0.890 57.181 56.400 -0.182 0.000 0.800 293 E CB -0.235 29.367 29.700 -0.163 0.000 0.756 293 E HN 0.433 nan 8.360 nan 0.000 0.449 294 M N 0.280 119.790 119.600 -0.150 0.000 2.159 294 M HA -0.110 4.368 4.480 -0.003 0.000 0.263 294 M C 2.353 178.595 176.300 -0.097 0.000 1.063 294 M CA 1.339 56.571 55.300 -0.114 0.000 1.110 294 M CB -1.015 31.518 32.600 -0.111 0.000 1.374 294 M HN 0.092 nan 8.290 nan 0.000 0.411 295 A N -0.325 122.419 122.820 -0.127 0.000 1.930 295 A HA -0.111 4.207 4.320 -0.003 0.000 0.217 295 A C 2.305 179.774 177.584 -0.191 0.000 1.175 295 A CA 2.049 54.010 52.037 -0.127 0.000 0.627 295 A CB -0.973 17.932 19.000 -0.158 0.000 0.815 295 A HN 0.448 nan 8.150 nan 0.000 0.443 296 T N 0.077 114.493 114.554 -0.229 0.000 2.737 296 T HA -0.140 4.208 4.350 -0.003 0.000 0.265 296 T C 1.979 176.586 174.700 -0.155 0.000 1.038 296 T CA 1.682 63.649 62.100 -0.221 0.000 1.144 296 T CB -0.397 68.351 68.868 -0.200 0.000 0.866 296 T HN 0.668 nan 8.240 nan 0.000 0.434 297 N N 0.407 119.035 118.700 -0.120 0.000 2.120 297 N HA -0.152 4.586 4.740 -0.003 0.000 0.188 297 N C 1.716 177.165 175.510 -0.101 0.000 1.024 297 N CA 1.669 54.657 53.050 -0.102 0.000 0.852 297 N CB -0.296 38.138 38.487 -0.088 0.000 1.003 297 N HN 0.533 nan 8.380 nan 0.000 0.424 298 H N -0.539 118.439 119.070 -0.154 0.000 2.319 298 H HA -0.037 4.517 4.556 -0.004 0.000 0.299 298 H C 1.795 177.039 175.328 -0.140 0.000 1.092 298 H CA 2.092 58.050 56.048 -0.151 0.000 1.302 298 H CB -0.396 29.281 29.762 -0.142 0.000 1.373 298 H HN 0.075 nan 8.280 nan 0.000 0.497 299 V N 0.634 120.437 119.914 -0.185 0.000 2.490 299 V HA -0.268 3.850 4.120 -0.003 0.000 0.250 299 V C 2.335 178.306 176.094 -0.206 0.000 1.061 299 V CA 2.153 64.329 62.300 -0.206 0.000 1.064 299 V CB -0.525 31.192 31.823 -0.178 0.000 0.670 299 V HN 0.532 nan 8.190 nan 0.000 0.461 300 Q N -0.644 119.047 119.800 -0.181 0.000 2.049 300 Q HA -0.125 4.213 4.340 -0.003 0.000 0.198 300 Q C 2.325 178.235 176.000 -0.150 0.000 0.971 300 Q CA 1.694 57.411 55.803 -0.142 0.000 0.833 300 Q CB -0.191 28.477 28.738 -0.118 0.000 0.896 300 Q HN 0.555 nan 8.270 nan 0.000 0.434 301 V N 0.828 120.626 119.914 -0.194 0.000 2.515 301 V HA -0.213 3.905 4.120 -0.003 0.000 0.250 301 V C 2.096 178.075 176.094 -0.191 0.000 1.058 301 V CA 1.072 63.260 62.300 -0.186 0.000 1.064 301 V CB -0.455 31.241 31.823 -0.213 0.000 0.675 301 V HN 0.299 nan 8.190 nan 0.000 0.461 302 L N 0.143 121.181 121.223 -0.308 0.000 2.017 302 L HA -0.107 4.231 4.340 -0.003 0.000 0.208 302 L C 2.385 179.205 176.870 -0.084 0.000 1.073 302 L CA 1.849 56.544 54.840 -0.241 0.000 0.745 302 L CB -0.514 41.324 42.059 -0.368 0.000 0.894 302 L HN 0.130 nan 8.230 nan 0.000 0.432 303 V N -0.321 119.526 119.914 -0.111 0.000 2.343 303 V HA -0.236 3.882 4.120 -0.003 0.000 0.247 303 V C 2.656 178.703 176.094 -0.078 0.000 1.051 303 V CA 1.659 63.904 62.300 -0.093 0.000 1.036 303 V CB -0.659 31.120 31.823 -0.073 0.000 0.654 303 V HN 0.441 nan 8.190 nan 0.000 0.451 304 E N -0.317 119.851 120.200 -0.054 0.000 2.038 304 E HA -0.237 4.111 4.350 -0.003 0.000 0.195 304 E C 2.003 178.594 176.600 -0.014 0.000 1.000 304 E CA 1.597 57.977 56.400 -0.033 0.000 0.803 304 E CB -0.545 29.135 29.700 -0.033 0.000 0.750 304 E HN 0.626 nan 8.360 nan 0.000 0.448 305 F N 1.934 121.798 119.950 -0.144 0.000 2.126 305 F HA -0.224 4.301 4.527 -0.003 0.000 0.299 305 F C 2.321 178.031 175.800 -0.149 0.000 1.096 305 F CA 1.917 59.842 58.000 -0.126 0.000 1.255 305 F CB -0.408 38.534 39.000 -0.095 0.000 0.997 305 F HN -0.052 nan 8.300 nan 0.000 0.479 306 T N 0.357 114.828 114.554 -0.139 0.000 2.746 306 T HA -0.199 4.149 4.350 -0.003 0.000 0.267 306 T C 1.862 176.205 174.700 -0.595 0.000 1.039 306 T CA 1.773 63.598 62.100 -0.459 0.000 1.142 306 T CB -0.267 68.280 68.868 -0.535 0.000 0.866 306 T HN 0.226 nan 8.240 nan 0.000 0.444 307 K N 0.758 120.958 120.400 -0.334 0.000 2.209 307 K HA -0.001 4.317 4.320 -0.003 0.000 0.204 307 K C 2.166 178.769 176.600 0.005 0.000 1.048 307 K CA 0.804 57.055 56.287 -0.060 0.000 0.940 307 K CB 0.076 32.587 32.500 0.018 0.000 0.729 307 K HN 0.172 nan 8.250 nan 0.000 0.451 308 K N 0.569 120.913 120.400 -0.093 0.000 2.400 308 K HA 0.082 4.400 4.320 -0.003 0.000 0.194 308 K C 0.388 177.008 176.600 0.034 0.000 1.033 308 K CA 0.182 56.465 56.287 -0.007 0.000 1.021 308 K CB 0.118 32.517 32.500 -0.170 0.000 0.808 308 K HN 0.153 nan 8.250 nan 0.000 0.505 309 L N 3.272 124.421 121.223 -0.122 0.000 2.499 309 L HA 0.058 4.396 4.340 -0.003 0.000 0.273 309 L C -2.136 174.791 176.870 0.095 0.000 1.195 309 L CA -1.765 53.035 54.840 -0.066 0.000 0.882 309 L CB -0.232 41.754 42.059 -0.123 0.000 1.133 309 L HN -0.209 nan 8.230 nan 0.000 0.483 310 P HA -0.000 nan 4.420 nan 0.000 0.258 310 P C 0.803 178.159 177.300 0.093 0.000 1.187 310 P CA 0.894 64.043 63.100 0.082 0.000 0.767 310 P CB 0.612 32.341 31.700 0.048 0.000 0.770 311 G N 3.110 111.964 108.800 0.091 0.000 2.225 311 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.254 311 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.254 311 G C 0.874 175.832 174.900 0.096 0.000 0.988 311 G CA 0.190 45.334 45.100 0.074 0.000 0.625 311 G HN 0.489 nan 8.290 nan 0.000 0.527 312 F N 1.620 121.584 119.950 0.024 0.000 2.120 312 F HA -0.122 4.403 4.527 -0.004 0.000 0.300 312 F C 2.630 178.455 175.800 0.043 0.000 1.095 312 F CA 2.702 60.721 58.000 0.032 0.000 1.249 312 F CB 0.039 39.054 39.000 0.024 0.000 0.995 312 F HN 0.311 nan 8.300 nan 0.000 0.480 313 Q N -0.520 119.369 119.800 0.148 0.000 2.515 313 Q HA -0.081 4.257 4.340 -0.003 0.000 0.212 313 Q C 1.817 177.813 176.000 -0.006 0.000 0.970 313 Q CA 1.363 57.211 55.803 0.076 0.000 0.941 313 Q CB -0.510 28.313 28.738 0.143 0.000 0.998 313 Q HN 0.588 nan 8.270 nan 0.000 0.518 314 T N -3.232 111.297 114.554 -0.041 0.000 3.086 314 T HA 0.247 4.595 4.350 -0.003 0.000 0.250 314 T C 0.850 175.490 174.700 -0.100 0.000 1.074 314 T CA -0.183 61.885 62.100 -0.054 0.000 0.988 314 T CB 0.098 68.948 68.868 -0.030 0.000 0.988 314 T HN -0.023 nan 8.240 nan 0.000 0.530 315 L N 1.820 122.942 121.223 -0.169 0.000 2.439 315 L HA 0.411 4.749 4.340 -0.003 0.000 0.261 315 L C 0.426 177.200 176.870 -0.160 0.000 1.153 315 L CA -0.920 53.806 54.840 -0.191 0.000 0.808 315 L CB 0.484 42.349 42.059 -0.323 0.000 1.126 315 L HN 0.152 nan 8.230 nan 0.000 0.460 316 D N -0.064 120.263 120.400 -0.121 0.000 2.531 316 D HA -0.104 4.534 4.640 -0.003 0.000 0.239 316 D C 1.226 177.515 176.300 -0.020 0.000 1.144 316 D CA 0.311 54.256 54.000 -0.091 0.000 0.869 316 D CB 0.601 41.369 40.800 -0.054 0.000 1.160 316 D HN 0.345 nan 8.370 nan 0.000 0.484 317 H N 2.815 121.847 119.070 -0.064 0.000 2.321 317 H HA -0.132 4.422 4.556 -0.003 0.000 0.295 317 H C 1.469 176.787 175.328 -0.017 0.000 1.102 317 H CA 1.519 57.541 56.048 -0.043 0.000 1.266 317 H CB 0.127 29.879 29.762 -0.017 0.000 1.363 317 H HN 0.531 nan 8.280 nan 0.000 0.492 318 E N 0.242 120.521 120.200 0.131 0.000 2.106 318 E HA -0.085 4.263 4.350 -0.003 0.000 0.192 318 E C 1.946 178.598 176.600 0.086 0.000 0.984 318 E CA 0.785 57.243 56.400 0.097 0.000 0.806 318 E CB -0.213 29.537 29.700 0.083 0.000 0.750 318 E HN 0.446 nan 8.360 nan 0.000 0.458 319 D N 0.341 120.773 120.400 0.054 0.000 2.144 319 D HA -0.117 4.521 4.640 -0.003 0.000 0.200 319 D C 1.847 178.169 176.300 0.036 0.000 0.978 319 D CA 0.775 54.800 54.000 0.041 0.000 0.833 319 D CB -0.141 40.659 40.800 0.001 0.000 0.961 319 D HN 0.241 nan 8.370 nan 0.000 0.470 320 Q N -0.166 119.620 119.800 -0.024 0.000 2.112 320 Q HA -0.150 4.188 4.340 -0.003 0.000 0.206 320 Q C 2.308 178.435 176.000 0.211 0.000 0.987 320 Q CA 0.974 56.774 55.803 -0.005 0.000 0.858 320 Q CB -0.084 28.602 28.738 -0.087 0.000 0.905 320 Q HN 0.340 nan 8.270 nan 0.000 0.420 321 I N 0.350 121.000 120.570 0.133 0.000 2.202 321 I HA -0.242 3.926 4.170 -0.003 0.000 0.242 321 I C 2.367 178.550 176.117 0.110 0.000 1.091 321 I CA 1.039 62.409 61.300 0.116 0.000 1.368 321 I CB -0.376 37.671 38.000 0.078 0.000 1.058 321 I HN 0.134 nan 8.210 nan 0.000 0.410 322 A N 0.458 123.344 122.820 0.111 0.000 1.978 322 A HA -0.180 4.138 4.320 -0.003 0.000 0.220 322 A C 2.292 179.938 177.584 0.103 0.000 1.170 322 A CA 1.585 53.681 52.037 0.099 0.000 0.636 322 A CB -0.859 18.227 19.000 0.143 0.000 0.810 322 A HN 0.417 nan 8.150 nan 0.000 0.448 323 L N -1.150 120.163 121.223 0.149 0.000 2.131 323 L HA -0.063 4.275 4.340 -0.003 0.000 0.206 323 L C 2.529 179.495 176.870 0.160 0.000 1.087 323 L CA 0.651 55.597 54.840 0.177 0.000 0.767 323 L CB -0.349 41.879 42.059 0.283 0.000 0.917 323 L HN 0.362 nan 8.230 nan 0.000 0.441 324 L N -0.377 120.945 121.223 0.165 0.000 2.056 324 L HA -0.206 4.132 4.340 -0.003 0.000 0.207 324 L C 2.603 179.518 176.870 0.075 0.000 1.078 324 L CA 1.417 56.321 54.840 0.107 0.000 0.749 324 L CB -0.273 41.846 42.059 0.100 0.000 0.901 324 L HN 0.208 nan 8.230 nan 0.000 0.433 325 K N -0.420 120.019 120.400 0.066 0.000 2.103 325 K HA -0.079 4.239 4.320 -0.003 0.000 0.204 325 K C 2.018 178.644 176.600 0.043 0.000 1.052 325 K CA 1.123 57.438 56.287 0.046 0.000 0.945 325 K CB -0.336 32.173 32.500 0.016 0.000 0.722 325 K HN 0.358 nan 8.250 nan 0.000 0.443 326 G N 0.608 109.436 108.800 0.046 0.000 2.443 326 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.219 326 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.219 326 G C 1.439 176.373 174.900 0.058 0.000 1.131 326 G CA 1.217 46.343 45.100 0.043 0.000 0.775 326 G HN 0.416 nan 8.290 nan 0.000 0.547 327 S N -0.718 115.027 115.700 0.076 0.000 2.520 327 S HA 0.526 4.994 4.470 -0.003 0.000 0.219 327 S C 2.349 177.010 174.600 0.102 0.000 1.028 327 S CA 0.971 59.225 58.200 0.090 0.000 0.921 327 S CB 0.299 63.563 63.200 0.107 0.000 0.844 327 S HN 0.424 nan 8.310 nan 0.000 0.495 328 A N 2.368 125.248 122.820 0.101 0.000 1.873 328 A HA -0.041 4.277 4.320 -0.003 0.000 0.218 328 A C 2.270 179.953 177.584 0.164 0.000 1.193 328 A CA 2.215 54.337 52.037 0.142 0.000 0.629 328 A CB -1.347 17.741 19.000 0.146 0.000 0.826 328 A HN 0.457 nan 8.150 nan 0.000 0.447 329 V N 0.058 120.019 119.914 0.078 0.000 2.343 329 V HA -0.277 3.841 4.120 -0.003 0.000 0.247 329 V C 2.405 178.548 176.094 0.082 0.000 1.051 329 V CA 2.317 64.591 62.300 -0.043 0.000 1.036 329 V CB -0.960 30.657 31.823 -0.343 0.000 0.654 329 V HN 0.658 nan 8.190 nan 0.000 0.451 330 E N 0.469 120.751 120.200 0.136 0.000 2.077 330 E HA -0.186 4.162 4.350 -0.003 0.000 0.193 330 E C 2.331 179.044 176.600 0.189 0.000 0.989 330 E CA 1.301 57.818 56.400 0.196 0.000 0.800 330 E CB -0.346 29.439 29.700 0.142 0.000 0.746 330 E HN 0.605 nan 8.360 nan 0.000 0.452 331 A N 1.663 124.583 122.820 0.167 0.000 1.930 331 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 331 A C 2.141 179.775 177.584 0.083 0.000 1.175 331 A CA 1.156 53.310 52.037 0.196 0.000 0.627 331 A CB -0.434 18.724 19.000 0.263 0.000 0.815 331 A HN 0.199 nan 8.150 nan 0.000 0.443 332 M N -1.234 118.309 119.600 -0.094 0.000 2.080 332 M HA -0.137 4.341 4.480 -0.003 0.000 0.260 332 M C 1.819 177.912 176.300 -0.344 0.000 1.068 332 M CA 1.902 56.886 55.300 -0.527 0.000 1.109 332 M CB -0.584 31.721 32.600 -0.493 0.000 1.342 332 M HN 0.390 nan 8.290 nan 0.000 0.405 333 F N 0.265 120.157 119.950 -0.095 0.000 2.234 333 F HA -0.199 4.326 4.527 -0.004 0.000 0.299 333 F C 2.197 178.054 175.800 0.095 0.000 1.087 333 F CA 0.962 58.928 58.000 -0.057 0.000 1.340 333 F CB -0.908 37.967 39.000 -0.208 0.000 1.031 333 F HN 0.170 nan 8.300 nan 0.000 0.500 334 L N 0.152 121.555 121.223 0.300 0.000 2.056 334 L HA -0.116 4.222 4.340 -0.003 0.000 0.207 334 L C 2.527 179.512 176.870 0.192 0.000 1.078 334 L CA 1.554 56.606 54.840 0.353 0.000 0.749 334 L CB -0.636 41.632 42.059 0.348 0.000 0.901 334 L HN -0.098 nan 8.230 nan 0.000 0.433 335 R N -0.427 120.105 120.500 0.054 0.000 2.081 335 R HA -0.065 4.273 4.340 -0.003 0.000 0.235 335 R C 2.241 178.451 176.300 -0.149 0.000 1.131 335 R CA 1.933 57.992 56.100 -0.069 0.000 0.960 335 R CB -0.977 29.245 30.300 -0.130 0.000 0.856 335 R HN 0.449 nan 8.270 nan 0.000 0.436 336 S N 0.294 115.894 115.700 -0.166 0.000 2.382 336 S HA -0.094 4.374 4.470 -0.003 0.000 0.228 336 S C 1.950 176.270 174.600 -0.467 0.000 1.027 336 S CA 1.156 59.207 58.200 -0.249 0.000 0.991 336 S CB -0.407 62.689 63.200 -0.173 0.000 0.823 336 S HN 0.548 nan 8.310 nan 0.000 0.469 337 A N 1.414 124.006 122.820 -0.380 0.000 1.898 337 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 337 A C 2.034 179.549 177.584 -0.115 0.000 1.181 337 A CA 1.675 53.493 52.037 -0.365 0.000 0.620 337 A CB -0.619 18.485 19.000 0.174 0.000 0.819 337 A HN 0.599 nan 8.150 nan 0.000 0.442 338 E N 0.040 120.136 120.200 -0.174 0.000 2.038 338 E HA -0.207 4.141 4.350 -0.003 0.000 0.195 338 E C 1.868 178.309 176.600 -0.265 0.000 1.000 338 E CA 1.606 57.709 56.400 -0.495 0.000 0.803 338 E CB -0.296 28.892 29.700 -0.853 0.000 0.750 338 E HN 0.630 nan 8.360 nan 0.000 0.448 339 I N 0.305 120.756 120.570 -0.199 0.000 2.151 339 I HA -0.266 3.902 4.170 -0.003 0.000 0.243 339 I C 2.353 178.445 176.117 -0.041 0.000 1.080 339 I CA 1.185 62.416 61.300 -0.115 0.000 1.339 339 I CB -0.360 37.580 38.000 -0.100 0.000 1.039 339 I HN 0.228 nan 8.210 nan 0.000 0.409 340 F N 2.033 121.877 119.950 -0.177 0.000 2.171 340 F HA -0.202 4.323 4.527 -0.004 0.000 0.300 340 F C 2.172 177.971 175.800 -0.001 0.000 1.090 340 F CA 1.608 59.564 58.000 -0.073 0.000 1.293 340 F CB -0.339 38.573 39.000 -0.146 0.000 1.013 340 F HN 0.102 nan 8.300 nan 0.000 0.486 341 N N 0.449 119.134 118.700 -0.026 0.000 2.461 341 N HA -0.046 4.692 4.740 -0.003 0.000 0.188 341 N C -0.081 175.387 175.510 -0.070 0.000 1.134 341 N CA 0.337 53.364 53.050 -0.037 0.000 0.878 341 N CB -0.052 38.509 38.487 0.123 0.000 0.972 341 N HN 0.148 nan 8.380 nan 0.000 0.456 342 K N 1.833 122.173 120.400 -0.099 0.000 2.322 342 K HA 0.070 4.388 4.320 -0.003 0.000 0.283 342 K C 0.480 177.025 176.600 -0.092 0.000 1.042 342 K CA -0.149 56.091 56.287 -0.078 0.000 0.958 342 K CB 1.285 33.740 32.500 -0.075 0.000 0.984 342 K HN 0.042 nan 8.250 nan 0.000 0.473 343 K N 3.697 124.057 120.400 -0.067 0.000 2.484 343 K HA 0.061 4.379 4.320 -0.003 0.000 0.280 343 K C -0.516 176.037 176.600 -0.078 0.000 1.013 343 K CA 0.255 56.499 56.287 -0.070 0.000 1.029 343 K CB 0.348 32.818 32.500 -0.050 0.000 0.902 343 K HN 0.433 nan 8.250 nan 0.000 0.481 344 L N 4.902 126.069 121.223 -0.092 0.000 2.376 344 L HA 0.459 4.797 4.340 -0.003 0.000 0.258 344 L C -2.144 174.617 176.870 -0.182 0.000 1.013 344 L CA -2.576 52.194 54.840 -0.117 0.000 0.822 344 L CB 2.067 44.093 42.059 -0.055 0.000 1.388 344 L HN 0.653 nan 8.230 nan 0.000 0.413 345 P HA 0.023 nan 4.420 nan 0.000 0.265 345 P C -0.622 176.537 177.300 -0.234 0.000 1.187 345 P CA -0.267 62.610 63.100 -0.373 0.000 0.766 345 P CB 0.370 31.692 31.700 -0.630 0.000 0.820 346 S N 1.669 117.313 115.700 -0.093 0.000 2.715 346 S HA 0.147 4.615 4.470 -0.003 0.000 0.318 346 S C 1.475 176.126 174.600 0.085 0.000 1.242 346 S CA 0.264 58.459 58.200 -0.007 0.000 1.044 346 S CB -0.732 62.466 63.200 -0.004 0.000 0.760 346 S HN 1.074 nan 8.310 nan 0.000 0.501 347 G N 2.681 111.531 108.800 0.083 0.000 2.304 347 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.252 347 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.252 347 G C 0.601 175.586 174.900 0.142 0.000 1.014 347 G CA 0.675 45.837 45.100 0.103 0.000 0.619 347 G HN 0.850 nan 8.290 nan 0.000 0.525 348 H N 1.931 120.992 119.070 -0.015 0.000 2.421 348 H HA 0.004 4.558 4.556 -0.003 0.000 0.298 348 H C 2.914 178.234 175.328 -0.013 0.000 1.087 348 H CA 2.366 58.408 56.048 -0.009 0.000 1.330 348 H CB -0.411 29.342 29.762 -0.014 0.000 1.388 348 H HN 0.686 nan 8.280 nan 0.000 0.526 349 S N 0.706 116.455 115.700 0.081 0.000 2.414 349 S HA -0.267 4.201 4.470 -0.003 0.000 0.225 349 S C 1.820 176.438 174.600 0.031 0.000 1.041 349 S CA 1.726 59.912 58.200 -0.024 0.000 1.114 349 S CB -0.637 62.533 63.200 -0.050 0.000 1.064 349 S HN 0.477 nan 8.310 nan 0.000 0.420 350 D N 1.363 121.783 120.400 0.034 0.000 2.149 350 D HA -0.081 4.557 4.640 -0.003 0.000 0.198 350 D C 1.978 178.295 176.300 0.029 0.000 0.990 350 D CA 1.280 55.298 54.000 0.029 0.000 0.839 350 D CB -0.301 40.508 40.800 0.016 0.000 0.948 350 D HN 0.318 nan 8.370 nan 0.000 0.460 351 L N 0.815 122.054 121.223 0.028 0.000 2.072 351 L HA -0.071 4.267 4.340 -0.003 0.000 0.205 351 L C 2.173 179.080 176.870 0.062 0.000 1.079 351 L CA 1.019 55.869 54.840 0.016 0.000 0.752 351 L CB -0.539 41.496 42.059 -0.040 0.000 0.906 351 L HN -0.062 nan 8.230 nan 0.000 0.436 352 L N -0.127 121.161 121.223 0.108 0.000 2.017 352 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 352 L C 2.517 179.559 176.870 0.286 0.000 1.073 352 L CA 2.224 57.184 54.840 0.200 0.000 0.745 352 L CB -0.752 41.446 42.059 0.233 0.000 0.894 352 L HN 0.550 nan 8.230 nan 0.000 0.432 353 E N -0.616 119.747 120.200 0.271 0.000 2.031 353 E HA -0.258 4.090 4.350 -0.003 0.000 0.193 353 E C 2.102 178.686 176.600 -0.027 0.000 0.994 353 E CA 1.264 57.697 56.400 0.054 0.000 0.800 353 E CB -0.269 29.299 29.700 -0.220 0.000 0.752 353 E HN 0.574 nan 8.360 nan 0.000 0.447 354 A N 1.668 124.479 122.820 -0.015 0.000 1.892 354 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 354 A C 2.232 179.851 177.584 0.058 0.000 1.188 354 A CA 1.642 53.679 52.037 -0.001 0.000 0.631 354 A CB -0.598 18.401 19.000 -0.002 0.000 0.822 354 A HN 0.178 nan 8.150 nan 0.000 0.447 355 R N -0.494 120.064 120.500 0.096 0.000 2.083 355 R HA -0.089 4.249 4.340 -0.003 0.000 0.237 355 R C 2.069 178.473 176.300 0.174 0.000 1.137 355 R CA 1.661 57.837 56.100 0.126 0.000 0.951 355 R CB -0.868 29.516 30.300 0.139 0.000 0.851 355 R HN 0.680 nan 8.270 nan 0.000 0.434 356 I N 0.507 121.225 120.570 0.247 0.000 2.252 356 I HA -0.230 3.938 4.170 -0.003 0.000 0.245 356 I C 2.427 178.687 176.117 0.238 0.000 1.102 356 I CA 1.115 62.592 61.300 0.294 0.000 1.385 356 I CB -0.292 37.972 38.000 0.441 0.000 1.064 356 I HN 0.084 nan 8.210 nan 0.000 0.414 357 R N 0.505 121.157 120.500 0.252 0.000 2.211 357 R HA -0.192 4.146 4.340 -0.003 0.000 0.240 357 R C 1.213 177.543 176.300 0.049 0.000 1.144 357 R CA 1.294 57.487 56.100 0.155 0.000 0.992 357 R CB -0.528 29.817 30.300 0.075 0.000 0.869 357 R HN 0.318 nan 8.270 nan 0.000 0.462 358 N N -0.272 118.459 118.700 0.052 0.000 2.214 358 N HA -0.016 4.722 4.740 -0.003 0.000 0.214 358 N C 0.955 176.476 175.510 0.020 0.000 1.132 358 N CA 0.058 53.120 53.050 0.020 0.000 0.856 358 N CB 0.459 38.967 38.487 0.035 0.000 1.020 358 N HN 0.095 nan 8.380 nan 0.000 0.509 359 S N -1.831 113.877 115.700 0.013 0.000 2.447 359 S HA 0.110 4.578 4.470 -0.003 0.000 0.233 359 S C 1.577 176.117 174.600 -0.099 0.000 1.006 359 S CA 1.081 59.328 58.200 0.079 0.000 0.957 359 S CB 0.011 63.340 63.200 0.214 0.000 0.773 359 S HN 0.358 nan 8.310 nan 0.000 0.507 360 G N 0.631 109.138 108.800 -0.488 0.000 2.480 360 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.193 360 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.193 360 G C 0.021 174.235 174.900 -1.143 0.000 1.004 360 G CA -0.203 44.433 45.100 -0.773 0.000 0.696 360 G HN 0.573 nan 8.290 nan 0.000 0.478 361 I N 2.957 122.670 120.570 -1.428 0.000 2.692 361 I HA 0.423 4.591 4.170 -0.003 0.000 0.284 361 I C 0.782 176.746 176.117 -0.254 0.000 1.159 361 I CA -0.207 60.640 61.300 -0.756 0.000 1.423 361 I CB 0.847 38.472 38.000 -0.626 0.000 1.380 361 I HN 0.197 nan 8.210 nan 0.000 0.580 362 S N 5.221 120.915 115.700 -0.011 0.000 2.568 362 S HA -0.077 4.391 4.470 -0.003 0.000 0.282 362 S C 0.796 175.381 174.600 -0.026 0.000 1.338 362 S CA -0.217 57.988 58.200 0.009 0.000 1.045 362 S CB 1.051 64.293 63.200 0.071 0.000 0.873 362 S HN 0.807 nan 8.310 nan 0.000 0.516 363 D N 1.547 121.905 120.400 -0.070 0.000 2.178 363 D HA -0.167 4.471 4.640 -0.003 0.000 0.201 363 D C 1.891 178.126 176.300 -0.109 0.000 0.980 363 D CA 1.463 55.424 54.000 -0.065 0.000 0.842 363 D CB 0.026 40.792 40.800 -0.057 0.000 0.948 363 D HN 0.823 nan 8.370 nan 0.000 0.472 364 E N -1.349 118.707 120.200 -0.240 0.000 2.409 364 E HA -0.211 4.137 4.350 -0.003 0.000 0.198 364 E C 0.885 177.235 176.600 -0.417 0.000 1.024 364 E CA 0.849 57.028 56.400 -0.368 0.000 0.861 364 E CB -0.235 29.166 29.700 -0.497 0.000 0.788 364 E HN 0.483 nan 8.360 nan 0.000 0.521 365 Y N -0.373 119.913 120.300 -0.023 0.000 2.559 365 Y HA 0.172 4.720 4.550 -0.003 0.000 0.279 365 Y C 1.938 177.814 175.900 -0.040 0.000 1.117 365 Y CA -0.463 57.632 58.100 -0.008 0.000 1.263 365 Y CB -0.091 38.374 38.460 0.008 0.000 1.230 365 Y HN 0.029 nan 8.280 nan 0.000 0.528 366 I N 0.045 120.671 120.570 0.092 0.000 2.315 366 I HA -0.226 3.942 4.170 -0.003 0.000 0.248 366 I C 2.037 178.185 176.117 0.053 0.000 1.117 366 I CA 1.728 63.042 61.300 0.024 0.000 1.404 366 I CB -0.610 37.432 38.000 0.071 0.000 1.071 366 I HN 0.143 nan 8.210 nan 0.000 0.419 367 T N 1.661 116.253 114.554 0.062 0.000 2.595 367 T HA -0.092 4.256 4.350 -0.003 0.000 0.264 367 T C -0.269 174.468 174.700 0.062 0.000 1.058 367 T CA 2.298 64.441 62.100 0.072 0.000 1.166 367 T CB -1.252 67.631 68.868 0.024 0.000 0.863 367 T HN 0.255 nan 8.240 nan 0.000 0.415 368 P HA -0.063 nan 4.420 nan 0.000 0.216 368 P C 1.610 178.977 177.300 0.111 0.000 1.153 368 P CA 1.284 64.458 63.100 0.123 0.000 0.858 368 P CB -0.153 31.654 31.700 0.179 0.000 0.789 369 M N -2.602 116.909 119.600 -0.147 0.000 2.073 369 M HA -0.196 4.282 4.480 -0.003 0.000 0.258 369 M C 1.888 177.620 176.300 -0.947 0.000 1.070 369 M CA 1.905 56.751 55.300 -0.757 0.000 1.103 369 M CB -0.871 31.155 32.600 -0.956 0.000 1.321 369 M HN -0.137 nan 8.290 nan 0.000 0.405 370 F N 0.249 119.875 119.950 -0.540 0.000 2.293 370 F HA -0.180 4.345 4.527 -0.003 0.000 0.300 370 F C 2.920 178.644 175.800 -0.126 0.000 1.086 370 F CA 1.539 59.297 58.000 -0.402 0.000 1.375 370 F CB -0.940 37.911 39.000 -0.248 0.000 1.045 370 F HN 0.264 nan 8.300 nan 0.000 0.516 371 S N -0.236 115.538 115.700 0.122 0.000 2.368 371 S HA -0.252 4.216 4.470 -0.003 0.000 0.224 371 S C 2.036 176.753 174.600 0.194 0.000 1.029 371 S CA 0.918 59.209 58.200 0.152 0.000 0.988 371 S CB -1.469 61.808 63.200 0.127 0.000 0.838 371 S HN 0.368 nan 8.310 nan 0.000 0.462 372 F N 1.935 121.930 119.950 0.075 0.000 2.102 372 F HA -0.081 4.444 4.527 -0.004 0.000 0.298 372 F C 2.184 178.131 175.800 0.244 0.000 1.105 372 F CA 1.330 59.427 58.000 0.161 0.000 1.239 372 F CB -0.524 38.645 39.000 0.281 0.000 0.991 372 F HN 0.086 nan 8.300 nan 0.000 0.474 373 Y N 1.261 121.612 120.300 0.085 0.000 2.128 373 Y HA -0.190 4.358 4.550 -0.004 0.000 0.284 373 Y C 2.416 178.404 175.900 0.147 0.000 1.154 373 Y CA 1.244 59.368 58.100 0.040 0.000 1.149 373 Y CB -1.295 37.115 38.460 -0.083 0.000 0.976 373 Y HN 0.114 nan 8.280 nan 0.000 0.505 374 K N 0.009 120.629 120.400 0.367 0.000 2.097 374 K HA -0.095 4.223 4.320 -0.003 0.000 0.205 374 K C 2.248 178.951 176.600 0.171 0.000 1.050 374 K CA 1.462 57.945 56.287 0.326 0.000 0.938 374 K CB -0.381 32.296 32.500 0.295 0.000 0.718 374 K HN 0.403 nan 8.250 nan 0.000 0.442 375 S N 1.485 117.243 115.700 0.096 0.000 2.357 375 S HA -0.089 4.379 4.470 -0.003 0.000 0.221 375 S C 2.095 176.675 174.600 -0.034 0.000 1.031 375 S CA 0.538 58.757 58.200 0.031 0.000 0.982 375 S CB -0.518 62.697 63.200 0.026 0.000 0.853 375 S HN 0.227 nan 8.310 nan 0.000 0.458 376 I N 2.192 122.667 120.570 -0.158 0.000 2.454 376 I HA -0.026 4.142 4.170 -0.003 0.000 0.254 376 I C 2.303 178.406 176.117 -0.022 0.000 1.156 376 I CA 1.103 62.287 61.300 -0.194 0.000 1.433 376 I CB -0.516 37.209 38.000 -0.459 0.000 1.082 376 I HN 0.508 nan 8.210 nan 0.000 0.432 377 G N -0.408 108.433 108.800 0.068 0.000 2.572 377 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.216 377 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.216 377 G C 1.452 176.404 174.900 0.087 0.000 1.133 377 G CA 0.080 45.255 45.100 0.124 0.000 0.791 377 G HN 0.347 nan 8.290 nan 0.000 0.538 378 E N 0.254 120.494 120.200 0.067 0.000 2.152 378 E HA 0.018 4.366 4.350 -0.003 0.000 0.192 378 E C 2.448 179.085 176.600 0.060 0.000 0.983 378 E CA 0.256 56.691 56.400 0.059 0.000 0.818 378 E CB -0.078 29.654 29.700 0.053 0.000 0.758 378 E HN 0.420 nan 8.360 nan 0.000 0.467 379 L N 0.910 122.167 121.223 0.058 0.000 2.353 379 L HA -0.095 4.243 4.340 -0.003 0.000 0.220 379 L C 0.511 177.458 176.870 0.129 0.000 1.133 379 L CA 0.664 55.576 54.840 0.120 0.000 0.798 379 L CB -0.386 41.709 42.059 0.059 0.000 0.922 379 L HN 0.014 nan 8.230 nan 0.000 0.445 380 K N 0.302 120.742 120.400 0.067 0.000 3.419 380 K HA -0.212 4.106 4.320 -0.003 0.000 0.272 380 K C -0.258 176.355 176.600 0.021 0.000 0.973 380 K CA 0.616 56.931 56.287 0.046 0.000 0.749 380 K CB -1.878 30.636 32.500 0.024 0.000 1.403 380 K HN 0.336 nan 8.250 nan 0.000 0.456 381 M N 0.903 120.499 119.600 -0.007 0.000 2.238 381 M HA 0.027 4.505 4.480 -0.003 0.000 0.347 381 M C 1.418 177.712 176.300 -0.009 0.000 1.173 381 M CA 0.203 55.443 55.300 -0.100 0.000 1.147 381 M CB 0.657 32.960 32.600 -0.495 0.000 1.547 381 M HN 0.342 nan 8.290 nan 0.000 0.455 382 T N -1.408 113.098 114.554 -0.081 0.000 2.788 382 T HA 0.076 4.424 4.350 -0.003 0.000 0.287 382 T C 0.821 175.594 174.700 0.121 0.000 1.007 382 T CA -0.644 61.413 62.100 -0.072 0.000 1.005 382 T CB 0.922 69.596 68.868 -0.323 0.000 1.012 382 T HN 0.768 nan 8.240 nan 0.000 0.530 383 Q N -0.091 119.790 119.800 0.135 0.000 2.170 383 Q HA -0.162 4.176 4.340 -0.003 0.000 0.203 383 Q C 2.032 178.097 176.000 0.107 0.000 0.976 383 Q CA 1.691 57.609 55.803 0.192 0.000 0.858 383 Q CB -0.079 28.739 28.738 0.133 0.000 0.907 383 Q HN 0.843 nan 8.270 nan 0.000 0.433 384 E N 0.018 120.254 120.200 0.061 0.000 2.107 384 E HA -0.162 4.186 4.350 -0.003 0.000 0.191 384 E C 1.768 178.372 176.600 0.008 0.000 0.982 384 E CA 0.895 57.313 56.400 0.031 0.000 0.809 384 E CB 0.095 29.844 29.700 0.082 0.000 0.756 384 E HN 0.403 nan 8.360 nan 0.000 0.459 385 E N 0.064 120.274 120.200 0.016 0.000 2.106 385 E HA -0.173 4.175 4.350 -0.003 0.000 0.192 385 E C 1.683 178.243 176.600 -0.067 0.000 0.984 385 E CA 0.901 57.290 56.400 -0.018 0.000 0.806 385 E CB -0.093 29.582 29.700 -0.041 0.000 0.750 385 E HN 0.326 nan 8.360 nan 0.000 0.458 386 Y N 0.717 120.973 120.300 -0.073 0.000 2.181 386 Y HA -0.187 4.361 4.550 -0.003 0.000 0.288 386 Y C 2.440 178.137 175.900 -0.338 0.000 1.146 386 Y CA 1.137 59.171 58.100 -0.109 0.000 1.164 386 Y CB -0.403 38.037 38.460 -0.033 0.000 0.982 386 Y HN 0.051 nan 8.280 nan 0.000 0.515 387 A N -0.217 122.307 122.820 -0.494 0.000 1.898 387 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 387 A C 2.228 179.719 177.584 -0.156 0.000 1.181 387 A CA 1.409 52.922 52.037 -0.873 0.000 0.620 387 A CB -0.966 17.578 19.000 -0.761 0.000 0.819 387 A HN 0.471 nan 8.150 nan 0.000 0.442 388 L N -1.272 119.928 121.223 -0.038 0.000 2.072 388 L HA -0.108 4.230 4.340 -0.003 0.000 0.205 388 L C 2.500 179.426 176.870 0.092 0.000 1.079 388 L CA 0.796 55.677 54.840 0.069 0.000 0.752 388 L CB -0.371 41.729 42.059 0.068 0.000 0.906 388 L HN 0.413 nan 8.230 nan 0.000 0.436 389 L N -0.401 120.858 121.223 0.060 0.000 2.083 389 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 389 L C 2.452 179.395 176.870 0.122 0.000 1.083 389 L CA 2.013 56.900 54.840 0.078 0.000 0.752 389 L CB -0.722 41.362 42.059 0.041 0.000 0.899 389 L HN 0.176 nan 8.230 nan 0.000 0.433 390 T N -0.329 114.304 114.554 0.131 0.000 2.708 390 T HA -0.193 4.155 4.350 -0.003 0.000 0.266 390 T C 1.911 176.759 174.700 0.246 0.000 1.037 390 T CA 1.452 63.657 62.100 0.175 0.000 1.146 390 T CB -0.594 68.355 68.868 0.136 0.000 0.865 390 T HN 0.508 nan 8.240 nan 0.000 0.435 391 A N 1.000 124.014 122.820 0.323 0.000 1.940 391 A HA -0.040 4.278 4.320 -0.003 0.000 0.219 391 A C 2.294 179.995 177.584 0.196 0.000 1.176 391 A CA 1.297 53.530 52.037 0.326 0.000 0.631 391 A CB -0.832 18.323 19.000 0.258 0.000 0.814 391 A HN 0.539 nan 8.150 nan 0.000 0.446 392 I N -0.681 119.985 120.570 0.160 0.000 2.315 392 I HA -0.188 3.980 4.170 -0.003 0.000 0.248 392 I C 2.276 178.466 176.117 0.122 0.000 1.117 392 I CA 0.818 62.195 61.300 0.128 0.000 1.404 392 I CB -0.170 37.898 38.000 0.113 0.000 1.071 392 I HN 0.153 nan 8.210 nan 0.000 0.419 393 V N 1.027 121.020 119.914 0.133 0.000 2.358 393 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 393 V C 2.264 178.437 176.094 0.131 0.000 1.047 393 V CA 1.813 64.188 62.300 0.125 0.000 1.035 393 V CB -0.299 31.608 31.823 0.139 0.000 0.658 393 V HN 0.319 nan 8.190 nan 0.000 0.452 394 I N -0.520 120.142 120.570 0.154 0.000 2.252 394 I HA -0.173 3.995 4.170 -0.003 0.000 0.245 394 I C 1.297 177.510 176.117 0.162 0.000 1.102 394 I CA 1.422 62.812 61.300 0.150 0.000 1.385 394 I CB -0.098 37.990 38.000 0.146 0.000 1.064 394 I HN 0.179 nan 8.210 nan 0.000 0.414 395 L N 1.200 122.518 121.223 0.158 0.000 2.934 395 L HA 0.169 4.507 4.340 -0.003 0.000 0.233 395 L C 0.056 177.001 176.870 0.123 0.000 1.358 395 L CA -0.182 54.754 54.840 0.161 0.000 1.233 395 L CB -0.438 41.714 42.059 0.154 0.000 1.594 395 L HN 0.042 nan 8.230 nan 0.000 0.439 396 S N 1.899 117.667 115.700 0.113 0.000 2.411 396 S HA 0.206 4.674 4.470 -0.003 0.000 0.294 396 S C -1.233 173.415 174.600 0.080 0.000 1.115 396 S CA -1.018 57.234 58.200 0.087 0.000 1.071 396 S CB 1.132 64.379 63.200 0.078 0.000 0.967 396 S HN 0.243 nan 8.310 nan 0.000 0.488 397 P HA -0.077 nan 4.420 nan 0.000 0.223 397 P C 0.090 177.422 177.300 0.053 0.000 1.151 397 P CA 0.888 64.023 63.100 0.059 0.000 0.787 397 P CB -0.130 31.600 31.700 0.049 0.000 0.788 398 D N -1.424 119.005 120.400 0.048 0.000 2.352 398 D HA 0.017 4.655 4.640 -0.003 0.000 0.236 398 D C 0.631 176.961 176.300 0.049 0.000 1.148 398 D CA -0.156 53.869 54.000 0.042 0.000 0.844 398 D CB -0.382 40.435 40.800 0.029 0.000 0.933 398 D HN -0.094 nan 8.370 nan 0.000 0.507 399 R N 1.427 121.964 120.500 0.063 0.000 2.594 399 R HA 0.152 4.490 4.340 -0.003 0.000 0.272 399 R C 0.743 177.095 176.300 0.087 0.000 1.074 399 R CA -0.247 55.894 56.100 0.068 0.000 1.105 399 R CB 0.292 30.639 30.300 0.078 0.000 1.008 399 R HN 0.484 nan 8.270 nan 0.000 0.472 400 Q N 0.789 120.643 119.800 0.090 0.000 2.394 400 Q HA 0.016 4.354 4.340 -0.003 0.000 0.248 400 Q C -0.655 175.517 176.000 0.288 0.000 0.992 400 Q CA -0.214 55.688 55.803 0.164 0.000 0.888 400 Q CB 0.424 29.257 28.738 0.159 0.000 1.257 400 Q HN 0.549 nan 8.270 nan 0.000 0.462 401 Y N -1.243 119.074 120.300 0.028 0.000 4.766 401 Y HA -0.208 4.340 4.550 -0.004 0.000 0.289 401 Y C -0.043 175.872 175.900 0.026 0.000 0.965 401 Y CA 0.136 58.253 58.100 0.028 0.000 1.738 401 Y CB -1.338 37.142 38.460 0.034 0.000 1.062 401 Y HN 0.684 nan 8.280 nan 0.000 0.440 402 I N 2.245 122.912 120.570 0.161 0.000 2.664 402 I HA -0.092 4.076 4.170 -0.003 0.000 0.284 402 I C 1.500 177.649 176.117 0.053 0.000 1.154 402 I CA 0.584 61.941 61.300 0.095 0.000 1.402 402 I CB 1.113 39.162 38.000 0.082 0.000 1.395 402 I HN 0.174 nan 8.210 nan 0.000 0.545 403 K N 3.549 123.970 120.400 0.035 0.000 2.031 403 K HA -0.095 4.223 4.320 -0.003 0.000 0.205 403 K C 0.506 177.110 176.600 0.006 0.000 1.049 403 K CA 1.158 57.450 56.287 0.009 0.000 0.939 403 K CB 0.049 32.549 32.500 0.001 0.000 0.717 403 K HN 0.489 nan 8.250 nan 0.000 0.438 404 D N -0.378 120.026 120.400 0.007 0.000 2.432 404 D HA 0.131 4.769 4.640 -0.003 0.000 0.265 404 D C 0.373 176.680 176.300 0.011 0.000 1.160 404 D CA -0.154 53.847 54.000 0.003 0.000 0.911 404 D CB 0.429 41.223 40.800 -0.009 0.000 1.052 404 D HN -0.052 nan 8.370 nan 0.000 0.508 405 R N 1.983 122.494 120.500 0.017 0.000 2.091 405 R HA -0.141 4.197 4.340 -0.003 0.000 0.238 405 R C 1.572 177.885 176.300 0.022 0.000 1.136 405 R CA 1.326 57.441 56.100 0.025 0.000 0.959 405 R CB 0.242 30.557 30.300 0.024 0.000 0.856 405 R HN 0.474 nan 8.270 nan 0.000 0.437 406 E N -0.461 119.748 120.200 0.015 0.000 2.110 406 E HA -0.175 4.173 4.350 -0.003 0.000 0.193 406 E C 1.770 178.379 176.600 0.014 0.000 0.988 406 E CA 1.033 57.442 56.400 0.015 0.000 0.804 406 E CB -0.034 29.672 29.700 0.009 0.000 0.745 406 E HN 0.446 nan 8.360 nan 0.000 0.458 407 A N 0.334 123.159 122.820 0.007 0.000 1.908 407 A HA -0.173 4.145 4.320 -0.003 0.000 0.218 407 A C 2.366 179.958 177.584 0.015 0.000 1.181 407 A CA 1.575 53.614 52.037 0.002 0.000 0.627 407 A CB -0.645 18.348 19.000 -0.013 0.000 0.818 407 A HN 0.209 nan 8.150 nan 0.000 0.445 408 V N -0.164 119.764 119.914 0.024 0.000 2.307 408 V HA -0.259 3.859 4.120 -0.003 0.000 0.245 408 V C 2.468 178.595 176.094 0.055 0.000 1.045 408 V CA 2.182 64.510 62.300 0.047 0.000 1.024 408 V CB -0.840 31.018 31.823 0.059 0.000 0.651 408 V HN 0.728 nan 8.190 nan 0.000 0.449 409 E N 0.492 120.719 120.200 0.045 0.000 2.097 409 E HA -0.295 4.053 4.350 -0.003 0.000 0.196 409 E C 2.258 178.884 176.600 0.044 0.000 1.000 409 E CA 1.674 58.102 56.400 0.046 0.000 0.804 409 E CB -0.055 29.667 29.700 0.037 0.000 0.740 409 E HN 0.598 nan 8.360 nan 0.000 0.454 410 K N 0.080 120.501 120.400 0.035 0.000 2.097 410 K HA -0.125 4.193 4.320 -0.003 0.000 0.206 410 K C 2.225 178.848 176.600 0.039 0.000 1.049 410 K CA 1.116 57.422 56.287 0.030 0.000 0.933 410 K CB -0.068 32.444 32.500 0.020 0.000 0.717 410 K HN 0.218 nan 8.250 nan 0.000 0.442 411 L N 0.610 121.862 121.223 0.049 0.000 2.109 411 L HA -0.150 4.188 4.340 -0.003 0.000 0.207 411 L C 2.758 179.673 176.870 0.075 0.000 1.086 411 L CA 1.180 56.059 54.840 0.065 0.000 0.760 411 L CB -0.397 41.713 42.059 0.084 0.000 0.910 411 L HN 0.319 nan 8.230 nan 0.000 0.437 412 Q N 0.376 120.223 119.800 0.079 0.000 2.123 412 Q HA -0.234 4.104 4.340 -0.003 0.000 0.199 412 Q C 2.011 178.059 176.000 0.079 0.000 0.966 412 Q CA 1.314 57.168 55.803 0.086 0.000 0.845 412 Q CB 0.174 28.965 28.738 0.089 0.000 0.907 412 Q HN 0.432 nan 8.270 nan 0.000 0.439 413 E N 0.029 120.268 120.200 0.066 0.000 2.048 413 E HA -0.210 4.138 4.350 -0.003 0.000 0.202 413 E C -0.935 175.695 176.600 0.051 0.000 1.021 413 E CA 2.032 58.468 56.400 0.059 0.000 0.825 413 E CB -0.392 29.334 29.700 0.044 0.000 0.756 413 E HN 0.391 nan 8.360 nan 0.000 0.454 414 P HA -0.165 nan 4.420 nan 0.000 0.218 414 P C 1.331 178.654 177.300 0.038 0.000 1.148 414 P CA 1.249 64.367 63.100 0.030 0.000 0.822 414 P CB -0.082 31.634 31.700 0.026 0.000 0.784 415 L N -1.375 119.883 121.223 0.059 0.000 2.072 415 L HA -0.085 4.253 4.340 -0.003 0.000 0.205 415 L C 2.744 179.670 176.870 0.093 0.000 1.079 415 L CA 0.996 55.881 54.840 0.073 0.000 0.752 415 L CB -0.963 41.149 42.059 0.089 0.000 0.906 415 L HN -0.102 nan 8.230 nan 0.000 0.436 416 L N -0.280 121.011 121.223 0.114 0.000 2.083 416 L HA -0.235 4.103 4.340 -0.003 0.000 0.209 416 L C 2.255 179.163 176.870 0.063 0.000 1.083 416 L CA 1.044 55.992 54.840 0.179 0.000 0.752 416 L CB -0.541 41.643 42.059 0.208 0.000 0.899 416 L HN 0.303 nan 8.230 nan 0.000 0.433 417 D N -0.481 119.923 120.400 0.007 0.000 2.097 417 D HA -0.153 4.485 4.640 -0.003 0.000 0.195 417 D C 2.318 178.563 176.300 -0.092 0.000 0.989 417 D CA 1.205 55.165 54.000 -0.067 0.000 0.827 417 D CB -0.242 40.536 40.800 -0.036 0.000 0.966 417 D HN 0.121 nan 8.370 nan 0.000 0.456 418 V N 1.177 121.070 119.914 -0.035 0.000 2.358 418 V HA -0.200 3.918 4.120 -0.003 0.000 0.246 418 V C 2.495 178.577 176.094 -0.020 0.000 1.047 418 V CA 0.984 63.268 62.300 -0.027 0.000 1.035 418 V CB -0.458 31.365 31.823 0.000 0.000 0.658 418 V HN 0.115 nan 8.190 nan 0.000 0.452 419 L N 0.183 121.423 121.223 0.028 0.000 2.042 419 L HA -0.233 4.105 4.340 -0.003 0.000 0.210 419 L C 2.526 179.403 176.870 0.011 0.000 1.076 419 L CA 2.405 57.306 54.840 0.103 0.000 0.749 419 L CB -0.784 41.428 42.059 0.254 0.000 0.893 419 L HN 0.439 nan 8.230 nan 0.000 0.432 420 Q N -0.694 118.889 119.800 -0.361 0.000 2.096 420 Q HA -0.242 4.096 4.340 -0.003 0.000 0.204 420 Q C 2.127 177.958 176.000 -0.280 0.000 0.982 420 Q CA 1.954 57.299 55.803 -0.763 0.000 0.850 420 Q CB -0.043 27.989 28.738 -1.176 0.000 0.901 420 Q HN 0.503 nan 8.270 nan 0.000 0.422 421 K N 0.162 120.453 120.400 -0.182 0.000 2.026 421 K HA -0.139 4.179 4.320 -0.003 0.000 0.208 421 K C 2.227 178.787 176.600 -0.066 0.000 1.048 421 K CA 1.237 57.459 56.287 -0.109 0.000 0.929 421 K CB -0.270 32.176 32.500 -0.089 0.000 0.713 421 K HN 0.301 nan 8.250 nan 0.000 0.439 422 L N 0.845 122.057 121.223 -0.018 0.000 2.042 422 L HA -0.264 4.074 4.340 -0.003 0.000 0.210 422 L C 2.761 179.692 176.870 0.101 0.000 1.076 422 L CA 1.092 55.963 54.840 0.051 0.000 0.749 422 L CB -0.562 41.585 42.059 0.147 0.000 0.893 422 L HN 0.274 nan 8.230 nan 0.000 0.432 423 C N -0.268 119.114 119.300 0.138 0.000 2.429 423 C HA -0.166 4.292 4.460 -0.003 0.000 0.277 423 C C 2.772 177.815 174.990 0.088 0.000 1.262 423 C CA 0.770 59.926 59.018 0.230 0.000 1.733 423 C CB -0.737 27.240 27.740 0.395 0.000 2.010 423 C HN 0.434 nan 8.230 nan 0.000 0.483 424 K N 0.399 120.809 120.400 0.016 0.000 2.103 424 K HA -0.002 4.316 4.320 -0.003 0.000 0.204 424 K C 1.757 178.325 176.600 -0.054 0.000 1.052 424 K CA 1.092 57.368 56.287 -0.019 0.000 0.945 424 K CB -0.177 32.298 32.500 -0.041 0.000 0.722 424 K HN 0.491 nan 8.250 nan 0.000 0.443 425 I N 0.284 120.795 120.570 -0.099 0.000 2.090 425 I HA -0.300 3.868 4.170 -0.003 0.000 0.236 425 I C 2.061 178.054 176.117 -0.207 0.000 1.064 425 I CA 1.657 62.841 61.300 -0.193 0.000 1.324 425 I CB -0.309 37.505 38.000 -0.309 0.000 1.044 425 I HN 0.229 nan 8.210 nan 0.000 0.399 426 H N -0.532 118.513 119.070 -0.042 0.000 2.395 426 H HA 0.027 4.581 4.556 -0.002 0.000 0.299 426 H C 0.748 176.003 175.328 -0.121 0.000 1.070 426 H CA 0.697 56.704 56.048 -0.069 0.000 1.356 426 H CB 0.232 29.959 29.762 -0.059 0.000 1.401 426 H HN 0.296 nan 8.280 nan 0.000 0.524 427 Q N 0.875 120.636 119.800 -0.066 0.000 2.773 427 Q HA 0.114 4.452 4.340 -0.003 0.000 0.373 427 Q C -2.011 173.951 176.000 -0.062 0.000 0.940 427 Q CA -1.421 54.299 55.803 -0.138 0.000 1.015 427 Q CB 1.466 29.963 28.738 -0.402 0.000 1.349 427 Q HN 0.434 nan 8.270 nan 0.000 0.413 428 P HA -0.123 nan 4.420 nan 0.000 0.223 428 P C 0.296 177.593 177.300 -0.006 0.000 1.151 428 P CA 0.961 64.050 63.100 -0.017 0.000 0.787 428 P CB 0.390 32.077 31.700 -0.022 0.000 0.788 429 E N -0.522 119.673 120.200 -0.009 0.000 2.463 429 E HA 0.028 4.376 4.350 -0.003 0.000 0.191 429 E C 0.171 176.777 176.600 0.010 0.000 1.083 429 E CA -0.024 56.377 56.400 0.001 0.000 0.872 429 E CB -0.326 29.373 29.700 -0.001 0.000 0.966 429 E HN 0.116 nan 8.360 nan 0.000 0.491 430 N N 0.340 119.049 118.700 0.016 0.000 2.653 430 N HA 0.088 4.826 4.740 -0.003 0.000 0.261 430 N C -2.280 173.278 175.510 0.080 0.000 1.216 430 N CA -1.632 51.446 53.050 0.046 0.000 0.784 430 N CB 1.176 39.692 38.487 0.049 0.000 1.327 430 N HN -0.233 nan 8.380 nan 0.000 0.539 431 P HA -0.023 nan 4.420 nan 0.000 0.229 431 P C 0.692 178.061 177.300 0.116 0.000 1.160 431 P CA 0.802 63.953 63.100 0.084 0.000 0.777 431 P CB 0.673 32.407 31.700 0.056 0.000 0.814 432 Q N -1.214 118.653 119.800 0.111 0.000 2.297 432 Q HA -0.111 4.227 4.340 -0.003 0.000 0.204 432 Q C 2.030 178.107 176.000 0.129 0.000 0.962 432 Q CA 0.912 56.776 55.803 0.101 0.000 0.879 432 Q CB -1.324 27.456 28.738 0.070 0.000 0.947 432 Q HN 0.386 nan 8.270 nan 0.000 0.462 433 H N -0.569 118.543 119.070 0.071 0.000 2.297 433 H HA -0.250 4.303 4.556 -0.004 0.000 0.289 433 H C 1.488 176.880 175.328 0.106 0.000 1.105 433 H CA 2.246 58.338 56.048 0.074 0.000 1.219 433 H CB -0.379 29.430 29.762 0.078 0.000 1.351 433 H HN 0.343 nan 8.280 nan 0.000 0.481 434 F N 0.519 120.482 119.950 0.020 0.000 2.102 434 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 434 F C 2.544 178.304 175.800 -0.067 0.000 1.105 434 F CA 1.568 59.546 58.000 -0.037 0.000 1.239 434 F CB -1.073 37.942 39.000 0.025 0.000 0.991 434 F HN 0.281 nan 8.300 nan 0.000 0.474 435 A N -0.412 122.337 122.820 -0.118 0.000 1.908 435 A HA -0.243 4.075 4.320 -0.003 0.000 0.218 435 A C 2.384 179.853 177.584 -0.191 0.000 1.181 435 A CA 1.917 53.848 52.037 -0.176 0.000 0.627 435 A CB -1.706 17.270 19.000 -0.040 0.000 0.818 435 A HN 0.574 nan 8.150 nan 0.000 0.445 436 C N -0.648 118.560 119.300 -0.153 0.000 2.425 436 C HA -0.058 4.400 4.460 -0.003 0.000 0.277 436 C C 2.599 177.469 174.990 -0.199 0.000 1.280 436 C CA 0.940 59.870 59.018 -0.147 0.000 1.744 436 C CB -1.539 26.129 27.740 -0.120 0.000 1.989 436 C HN 0.613 nan 8.230 nan 0.000 0.491 437 L N 0.162 121.202 121.223 -0.304 0.000 2.093 437 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 437 L C 2.529 179.265 176.870 -0.223 0.000 1.085 437 L CA 1.247 55.925 54.840 -0.269 0.000 0.755 437 L CB -0.579 41.308 42.059 -0.287 0.000 0.904 437 L HN 0.397 nan 8.230 nan 0.000 0.435 438 L N -0.563 120.465 121.223 -0.324 0.000 2.156 438 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 438 L C 2.602 179.391 176.870 -0.135 0.000 1.095 438 L CA 1.139 55.821 54.840 -0.263 0.000 0.770 438 L CB -1.037 40.792 42.059 -0.383 0.000 0.914 438 L HN 0.307 nan 8.230 nan 0.000 0.439 439 G N -0.380 108.351 108.800 -0.116 0.000 2.422 439 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.218 439 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.218 439 G C 1.652 176.549 174.900 -0.005 0.000 1.140 439 G CA 0.108 45.174 45.100 -0.057 0.000 0.775 439 G HN 0.142 nan 8.290 nan 0.000 0.545 440 R N 0.354 120.867 120.500 0.021 0.000 2.127 440 R HA 0.043 4.381 4.340 -0.003 0.000 0.238 440 R C 2.582 178.978 176.300 0.160 0.000 1.134 440 R CA 0.568 56.760 56.100 0.153 0.000 0.975 440 R CB -0.821 29.559 30.300 0.133 0.000 0.865 440 R HN 0.432 nan 8.270 nan 0.000 0.447 441 L N -0.623 120.639 121.223 0.065 0.000 2.141 441 L HA -0.134 4.204 4.340 -0.003 0.000 0.209 441 L C 1.885 178.760 176.870 0.008 0.000 1.094 441 L CA 1.576 56.444 54.840 0.048 0.000 0.763 441 L CB -0.798 41.273 42.059 0.019 0.000 0.908 441 L HN 0.186 nan 8.230 nan 0.000 0.437 442 T N -0.570 113.974 114.554 -0.016 0.000 2.812 442 T HA -0.134 4.214 4.350 -0.003 0.000 0.264 442 T C 1.750 176.388 174.700 -0.104 0.000 1.042 442 T CA 1.138 63.204 62.100 -0.057 0.000 1.140 442 T CB -0.072 68.763 68.868 -0.055 0.000 0.870 442 T HN 0.384 nan 8.240 nan 0.000 0.445 443 E N 0.967 121.126 120.200 -0.069 0.000 2.110 443 E HA -0.052 4.296 4.350 -0.003 0.000 0.193 443 E C 2.180 178.555 176.600 -0.375 0.000 0.988 443 E CA 0.806 57.097 56.400 -0.182 0.000 0.804 443 E CB -0.310 29.428 29.700 0.063 0.000 0.745 443 E HN 0.400 nan 8.360 nan 0.000 0.458 444 L N 0.467 121.598 121.223 -0.153 0.000 2.046 444 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 444 L C 2.624 179.440 176.870 -0.090 0.000 1.077 444 L CA 1.152 55.946 54.840 -0.077 0.000 0.747 444 L CB -0.371 41.727 42.059 0.065 0.000 0.896 444 L HN 0.083 nan 8.230 nan 0.000 0.432 445 R N -0.335 120.101 120.500 -0.107 0.000 2.105 445 R HA -0.180 4.158 4.340 -0.003 0.000 0.239 445 R C 2.483 178.674 176.300 -0.182 0.000 1.135 445 R CA 2.036 58.075 56.100 -0.102 0.000 0.967 445 R CB -0.505 29.737 30.300 -0.095 0.000 0.861 445 R HN 0.530 nan 8.270 nan 0.000 0.442 446 T N -1.205 113.149 114.554 -0.333 0.000 2.788 446 T HA -0.126 4.222 4.350 -0.003 0.000 0.268 446 T C 1.677 176.083 174.700 -0.490 0.000 1.044 446 T CA 1.082 62.914 62.100 -0.447 0.000 1.139 446 T CB -0.303 68.269 68.868 -0.494 0.000 0.867 446 T HN 0.066 nan 8.240 nan 0.000 0.454 447 F N 2.530 122.264 119.950 -0.360 0.000 2.134 447 F HA 0.086 4.611 4.527 -0.004 0.000 0.299 447 F C 2.612 178.284 175.800 -0.214 0.000 1.097 447 F CA 0.911 58.636 58.000 -0.458 0.000 1.264 447 F CB -1.180 37.249 39.000 -0.952 0.000 1.001 447 F HN 0.248 nan 8.300 nan 0.000 0.479 448 N N -0.487 118.255 118.700 0.070 0.000 2.166 448 N HA -0.238 4.500 4.740 -0.003 0.000 0.186 448 N C 2.021 177.658 175.510 0.210 0.000 1.019 448 N CA 1.442 54.572 53.050 0.133 0.000 0.856 448 N CB -0.592 37.934 38.487 0.065 0.000 0.993 448 N HN 0.450 nan 8.380 nan 0.000 0.426 449 H N -1.555 117.456 119.070 -0.098 0.000 2.387 449 H HA -0.096 4.458 4.556 -0.003 0.000 0.299 449 H C 0.544 175.820 175.328 -0.087 0.000 1.090 449 H CA 1.308 57.261 56.048 -0.158 0.000 1.332 449 H CB 0.130 29.689 29.762 -0.339 0.000 1.386 449 H HN 0.396 nan 8.280 nan 0.000 0.516 450 H N -0.439 118.558 119.070 -0.122 0.000 2.551 450 H HA -0.013 4.542 4.556 -0.003 0.000 0.271 450 H C 2.118 177.286 175.328 -0.267 0.000 0.984 450 H CA 0.582 56.496 56.048 -0.223 0.000 1.164 450 H CB -0.244 29.476 29.762 -0.071 0.000 1.437 450 H HN 0.683 nan 8.280 nan 0.000 0.550 451 H N 0.222 119.228 119.070 -0.106 0.000 2.319 451 H HA -0.081 4.473 4.556 -0.003 0.000 0.297 451 H C 1.843 177.022 175.328 -0.249 0.000 1.097 451 H CA 1.505 57.444 56.048 -0.181 0.000 1.285 451 H CB -0.300 29.327 29.762 -0.226 0.000 1.368 451 H HN 0.227 nan 8.280 nan 0.000 0.495 452 A N 1.239 123.542 122.820 -0.861 0.000 1.933 452 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 452 A C 2.285 179.694 177.584 -0.292 0.000 1.175 452 A CA 1.645 53.352 52.037 -0.549 0.000 0.628 452 A CB -0.334 18.348 19.000 -0.529 0.000 0.814 452 A HN 0.572 nan 8.150 nan 0.000 0.444 453 E N -0.895 119.132 120.200 -0.288 0.000 2.107 453 E HA -0.060 4.288 4.350 -0.003 0.000 0.191 453 E C 1.947 178.365 176.600 -0.304 0.000 0.982 453 E CA 1.091 57.366 56.400 -0.209 0.000 0.809 453 E CB -0.325 29.290 29.700 -0.141 0.000 0.756 453 E HN 0.645 nan 8.360 nan 0.000 0.459 454 M N 0.104 119.360 119.600 -0.573 0.000 2.108 454 M HA -0.173 4.305 4.480 -0.003 0.000 0.261 454 M C 1.708 177.976 176.300 -0.052 0.000 1.066 454 M CA 1.504 56.393 55.300 -0.684 0.000 1.107 454 M CB 0.043 32.351 32.600 -0.488 0.000 1.356 454 M HN 0.122 nan 8.290 nan 0.000 0.406 455 L N -1.015 120.230 121.223 0.037 0.000 2.068 455 L HA -0.147 4.191 4.340 -0.003 0.000 0.204 455 L C 2.184 179.204 176.870 0.250 0.000 1.076 455 L CA 0.580 55.596 54.840 0.294 0.000 0.753 455 L CB -0.496 41.743 42.059 0.299 0.000 0.910 455 L HN 0.313 nan 8.230 nan 0.000 0.439 456 M N -0.449 119.147 119.600 -0.007 0.000 2.630 456 M HA -0.035 4.443 4.480 -0.003 0.000 0.254 456 M C 1.909 178.102 176.300 -0.179 0.000 1.092 456 M CA 0.914 56.043 55.300 -0.285 0.000 1.087 456 M CB -1.111 31.371 32.600 -0.196 0.000 1.453 456 M HN 0.347 nan 8.290 nan 0.000 0.509 457 S N -2.214 113.531 115.700 0.075 0.000 2.578 457 S HA 0.050 4.518 4.470 -0.003 0.000 0.231 457 S C 0.122 174.891 174.600 0.283 0.000 0.994 457 S CA -0.763 57.541 58.200 0.172 0.000 0.956 457 S CB -0.053 63.267 63.200 0.199 0.000 0.870 457 S HN 0.499 nan 8.310 nan 0.000 0.494 458 W N 3.160 124.576 121.300 0.193 0.000 2.181 458 W HA 0.294 4.952 4.660 -0.004 0.000 0.335 458 W C -0.044 176.561 176.519 0.142 0.000 1.310 458 W CA -0.415 57.051 57.345 0.200 0.000 1.226 458 W CB 0.421 30.044 29.460 0.272 0.000 1.155 458 W HN 0.225 nan 8.180 nan 0.000 0.565 459 R N 4.200 124.796 120.500 0.159 0.000 3.152 459 R HA 0.124 4.462 4.340 -0.003 0.000 0.209 459 R C -0.215 176.168 176.300 0.139 0.000 1.649 459 R CA 0.033 56.201 56.100 0.114 0.000 1.185 459 R CB -0.516 29.797 30.300 0.022 0.000 1.258 459 R HN 0.273 nan 8.270 nan 0.000 0.656 460 V N -1.462 118.470 119.914 0.031 0.000 3.178 460 V HA 0.341 4.459 4.120 -0.003 0.000 0.302 460 V C -0.173 175.716 176.094 -0.342 0.000 1.262 460 V CA -1.034 61.138 62.300 -0.213 0.000 1.030 460 V CB 2.546 34.089 31.823 -0.467 0.000 1.074 460 V HN 0.230 nan 8.190 nan 0.000 0.438 461 N N 0.080 118.593 118.700 -0.311 0.000 2.368 461 N HA 0.164 4.902 4.740 -0.003 0.000 0.178 461 N C -0.188 175.135 175.510 -0.313 0.000 1.021 461 N CA 1.097 54.009 53.050 -0.229 0.000 0.875 461 N CB 0.282 38.696 38.487 -0.122 0.000 1.020 461 N HN 0.841 nan 8.380 nan 0.000 0.433 462 D N 0.240 120.399 120.400 -0.402 0.000 2.460 462 D HA 0.121 4.759 4.640 -0.003 0.000 0.232 462 D C -0.881 175.100 176.300 -0.531 0.000 1.079 462 D CA -0.251 53.552 54.000 -0.329 0.000 0.864 462 D CB 0.578 41.276 40.800 -0.170 0.000 1.048 462 D HN 0.320 nan 8.370 nan 0.000 0.523 463 H N 1.435 120.312 119.070 -0.323 0.000 2.923 463 H HA 0.148 4.702 4.556 -0.003 0.000 0.251 463 H C 0.013 175.154 175.328 -0.313 0.000 1.741 463 H CA 0.089 55.845 56.048 -0.487 0.000 1.387 463 H CB 0.219 29.868 29.762 -0.189 0.000 1.740 463 H HN -0.072 nan 8.280 nan 0.000 0.544 464 K N 2.640 122.923 120.400 -0.195 0.000 2.211 464 K HA 0.322 4.640 4.320 -0.003 0.000 0.275 464 K C -0.904 175.563 176.600 -0.223 0.000 1.024 464 K CA -0.429 55.810 56.287 -0.081 0.000 0.887 464 K CB 1.003 33.485 32.500 -0.029 0.000 1.084 464 K HN 0.237 nan 8.250 nan 0.000 0.463 465 F N 0.035 120.062 119.950 0.128 0.000 2.561 465 F HA 0.227 4.752 4.527 -0.003 0.000 0.321 465 F C 0.990 176.775 175.800 -0.026 0.000 1.065 465 F CA -1.069 56.952 58.000 0.036 0.000 0.934 465 F CB 1.555 40.596 39.000 0.068 0.000 1.215 465 F HN 0.436 nan 8.300 nan 0.000 0.471 466 T N -1.208 113.398 114.554 0.087 0.000 2.898 466 T HA 0.192 4.540 4.350 -0.003 0.000 0.301 466 T C -2.038 172.660 174.700 -0.003 0.000 1.049 466 T CA -1.369 60.731 62.100 -0.001 0.000 1.095 466 T CB 1.160 69.982 68.868 -0.076 0.000 0.976 466 T HN 0.327 nan 8.240 nan 0.000 0.539 467 P HA -0.025 nan 4.420 nan 0.000 0.219 467 P C 1.550 178.811 177.300 -0.065 0.000 1.146 467 P CA 0.197 63.282 63.100 -0.024 0.000 0.808 467 P CB -0.034 31.654 31.700 -0.019 0.000 0.779 468 L N -1.032 120.133 121.223 -0.098 0.000 2.093 468 L HA -0.097 4.241 4.340 -0.003 0.000 0.208 468 L C 2.078 178.818 176.870 -0.217 0.000 1.085 468 L CA 1.686 56.444 54.840 -0.137 0.000 0.755 468 L CB -1.182 40.790 42.059 -0.145 0.000 0.904 468 L HN -0.107 nan 8.230 nan 0.000 0.435 469 L N -1.953 119.104 121.223 -0.276 0.000 2.109 469 L HA -0.226 4.112 4.340 -0.003 0.000 0.207 469 L C 2.533 179.234 176.870 -0.281 0.000 1.086 469 L CA 0.956 55.510 54.840 -0.477 0.000 0.760 469 L CB -0.691 41.038 42.059 -0.549 0.000 0.910 469 L HN 0.337 nan 8.230 nan 0.000 0.437 470 C N 0.021 119.246 119.300 -0.126 0.000 2.422 470 C HA -0.124 4.334 4.460 -0.003 0.000 0.279 470 C C 2.598 177.565 174.990 -0.039 0.000 1.305 470 C CA 0.633 59.615 59.018 -0.061 0.000 1.757 470 C CB -0.735 26.999 27.740 -0.009 0.000 1.962 470 C HN 0.507 nan 8.230 nan 0.000 0.499 471 E N -0.117 120.049 120.200 -0.057 0.000 2.158 471 E HA -0.040 4.308 4.350 -0.003 0.000 0.191 471 E C 1.829 178.418 176.600 -0.018 0.000 0.982 471 E CA 0.868 57.248 56.400 -0.033 0.000 0.823 471 E CB -0.036 29.638 29.700 -0.043 0.000 0.766 471 E HN 0.664 nan 8.360 nan 0.000 0.468 472 I N -0.738 119.803 120.570 -0.049 0.000 3.645 472 I HA -0.047 4.121 4.170 -0.003 0.000 0.300 472 I C 0.949 177.201 176.117 0.225 0.000 1.260 472 I CA 0.091 61.397 61.300 0.010 0.000 1.365 472 I CB 0.423 38.371 38.000 -0.087 0.000 1.077 472 I HN 0.121 nan 8.210 nan 0.000 0.439 473 W N 0.422 121.675 121.300 -0.078 0.000 2.871 473 W HA 0.218 4.876 4.660 -0.004 0.000 0.267 473 W C 0.301 176.825 176.519 0.009 0.000 1.180 473 W CA -0.343 56.986 57.345 -0.027 0.000 1.463 473 W CB -0.133 29.258 29.460 -0.115 0.000 0.966 473 W HN -0.013 nan 8.180 nan 0.000 0.605 474 D N 0.300 120.785 120.400 0.141 0.000 2.772 474 D HA -0.159 4.479 4.640 -0.003 0.000 0.233 474 D C 1.310 177.598 176.300 -0.020 0.000 1.143 474 D CA 1.238 55.263 54.000 0.042 0.000 0.700 474 D CB -1.490 39.335 40.800 0.042 0.000 1.076 474 D HN 0.231 nan 8.370 nan 0.000 0.430 475 V N -1.978 117.872 119.914 -0.106 0.000 2.427 475 V HA -0.145 3.973 4.120 -0.003 0.000 0.248 475 V C 1.169 177.193 176.094 -0.116 0.000 1.051 475 V CA 2.003 64.145 62.300 -0.263 0.000 1.048 475 V CB -0.460 30.815 31.823 -0.913 0.000 0.666 475 V HN 0.536 nan 8.190 nan 0.000 0.456 476 Q N 0.000 119.771 119.800 -0.049 0.000 2.315 476 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 476 Q CA 0.000 55.828 55.803 0.041 0.000 1.022 476 Q CB 0.000 28.823 28.738 0.143 0.000 1.108 476 Q HN 0.000 nan 8.270 nan 0.000 0.481