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 3oki_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 0.000 176.276 176.300 -0.040 0.000 1.140 247 M CA 0.000 55.277 55.300 -0.039 0.000 0.988 247 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 248 E N 3.361 123.541 120.200 -0.034 0.000 2.418 248 E HA 0.350 4.700 4.350 0.000 0.000 0.261 248 E C -0.677 175.905 176.600 -0.030 0.000 1.070 248 E CA -0.299 56.081 56.400 -0.032 0.000 0.931 248 E CB 0.643 30.327 29.700 -0.027 0.000 0.954 248 E HN 0.637 nan 8.360 nan 0.000 0.439 249 L N 1.951 123.157 121.223 -0.029 0.000 2.439 249 L HA 0.085 4.425 4.340 0.000 0.000 0.269 249 L C 1.037 177.891 176.870 -0.026 0.000 1.179 249 L CA -0.285 54.538 54.840 -0.029 0.000 0.828 249 L CB 0.198 42.238 42.059 -0.032 0.000 1.106 249 L HN 0.633 nan 8.230 nan 0.000 0.467 250 T N -0.926 113.613 114.554 -0.025 0.000 2.849 250 T HA 0.239 4.589 4.350 0.000 0.000 0.284 250 T C -1.841 172.846 174.700 -0.021 0.000 1.004 250 T CA -1.707 60.381 62.100 -0.020 0.000 1.021 250 T CB 1.223 70.080 68.868 -0.018 0.000 1.013 250 T HN 0.350 nan 8.240 nan 0.000 0.527 251 P HA -0.080 nan 4.420 nan 0.000 0.216 251 P C 0.864 178.156 177.300 -0.014 0.000 1.153 251 P CA 1.088 64.183 63.100 -0.008 0.000 0.858 251 P CB -0.017 31.682 31.700 -0.001 0.000 0.789 252 D N -1.303 119.087 120.400 -0.016 0.000 2.149 252 D HA -0.120 4.521 4.640 0.000 0.000 0.201 252 D C 2.107 178.391 176.300 -0.026 0.000 0.972 252 D CA 0.973 54.962 54.000 -0.019 0.000 0.835 252 D CB -0.502 40.287 40.800 -0.018 0.000 0.966 252 D HN 0.284 nan 8.370 nan 0.000 0.476 253 Q N -0.200 119.581 119.800 -0.031 0.000 2.119 253 Q HA -0.167 4.173 4.340 0.000 0.000 0.201 253 Q C 1.998 177.955 176.000 -0.072 0.000 0.972 253 Q CA 0.946 56.727 55.803 -0.036 0.000 0.847 253 Q CB -0.028 28.692 28.738 -0.031 0.000 0.903 253 Q HN 0.158 nan 8.270 nan 0.000 0.433 254 Q N -0.021 119.717 119.800 -0.103 0.000 2.167 254 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 254 Q C 1.657 177.468 176.000 -0.316 0.000 0.970 254 Q CA 1.624 57.284 55.803 -0.238 0.000 0.855 254 Q CB 0.037 28.677 28.738 -0.164 0.000 0.911 254 Q HN 0.250 nan 8.270 nan 0.000 0.438 255 T N 0.252 114.749 114.554 -0.094 0.000 2.942 255 T HA -0.058 4.293 4.350 0.000 0.000 0.265 255 T C 1.429 176.164 174.700 0.059 0.000 1.062 255 T CA 0.845 62.955 62.100 0.017 0.000 1.139 255 T CB -0.158 68.728 68.868 0.030 0.000 0.883 255 T HN 0.202 nan 8.240 nan 0.000 0.468 256 L N 1.209 122.444 121.223 0.020 0.000 2.056 256 L HA 0.135 4.476 4.340 0.000 0.000 0.207 256 L C 2.097 179.046 176.870 0.131 0.000 1.078 256 L CA 1.367 56.253 54.840 0.077 0.000 0.749 256 L CB -0.945 41.134 42.059 0.034 0.000 0.901 256 L HN 0.132 nan 8.230 nan 0.000 0.433 257 L N -0.511 120.726 121.223 0.024 0.000 1.989 257 L HA -0.259 4.081 4.340 0.000 0.000 0.211 257 L C 2.620 179.565 176.870 0.124 0.000 1.071 257 L CA 1.957 56.811 54.840 0.024 0.000 0.749 257 L CB -1.135 40.871 42.059 -0.089 0.000 0.890 257 L HN 0.398 nan 8.230 nan 0.000 0.431 258 H N -1.555 117.593 119.070 0.129 0.000 2.422 258 H HA -0.205 4.351 4.556 0.000 0.000 0.298 258 H C 2.018 177.442 175.328 0.159 0.000 1.098 258 H CA 1.818 57.941 56.048 0.126 0.000 1.315 258 H CB -0.712 29.117 29.762 0.113 0.000 1.382 258 H HN 0.492 nan 8.280 nan 0.000 0.523 259 F N 0.942 120.993 119.950 0.168 0.000 2.163 259 F HA -0.116 4.411 4.527 0.000 0.000 0.297 259 F C 2.111 177.986 175.800 0.125 0.000 1.094 259 F CA 0.645 58.715 58.000 0.116 0.000 1.290 259 F CB -0.164 38.877 39.000 0.069 0.000 1.017 259 F HN -0.051 nan 8.300 nan 0.000 0.483 260 I N 0.147 120.816 120.570 0.165 0.000 2.226 260 I HA -0.279 3.891 4.170 0.000 0.000 0.245 260 I C 2.289 178.526 176.117 0.200 0.000 1.100 260 I CA 1.196 62.577 61.300 0.136 0.000 1.374 260 I CB -1.198 36.920 38.000 0.196 0.000 1.057 260 I HN 0.238 nan 8.210 nan 0.000 0.413 261 M N -0.018 119.683 119.600 0.167 0.000 2.117 261 M HA -0.196 4.284 4.480 0.000 0.000 0.262 261 M C 2.020 178.403 176.300 0.138 0.000 1.065 261 M CA 1.436 56.842 55.300 0.177 0.000 1.114 261 M CB -1.292 31.408 32.600 0.167 0.000 1.361 261 M HN 0.211 nan 8.290 nan 0.000 0.408 262 D N 0.317 120.749 120.400 0.054 0.000 2.116 262 D HA -0.113 4.527 4.640 0.000 0.000 0.193 262 D C 1.836 178.116 176.300 -0.033 0.000 0.998 262 D CA 1.582 55.573 54.000 -0.014 0.000 0.836 262 D CB 0.221 40.978 40.800 -0.071 0.000 0.951 262 D HN 0.253 nan 8.370 nan 0.000 0.449 263 S N -0.919 114.740 115.700 -0.068 0.000 2.368 263 S HA -0.159 4.311 4.470 0.000 0.000 0.224 263 S C 1.865 176.579 174.600 0.189 0.000 1.029 263 S CA 0.540 58.767 58.200 0.046 0.000 0.988 263 S CB -0.531 62.694 63.200 0.040 0.000 0.838 263 S HN 0.381 nan 8.310 nan 0.000 0.462 264 Y N 3.009 123.367 120.300 0.096 0.000 2.274 264 Y HA -0.050 4.500 4.550 0.000 0.000 0.290 264 Y C 1.743 177.576 175.900 -0.112 0.000 1.145 264 Y CA 1.050 59.068 58.100 -0.136 0.000 1.203 264 Y CB -0.324 38.063 38.460 -0.121 0.000 0.984 264 Y HN 0.180 nan 8.280 nan 0.000 0.533 265 N N 0.102 118.810 118.700 0.013 0.000 2.515 265 N HA -0.081 4.659 4.740 0.000 0.000 0.185 265 N C 1.176 176.625 175.510 -0.101 0.000 1.109 265 N CA 0.575 53.595 53.050 -0.050 0.000 0.903 265 N CB -0.060 38.435 38.487 0.013 0.000 0.969 265 N HN 0.175 nan 8.380 nan 0.000 0.450 266 K N 0.745 121.081 120.400 -0.107 0.000 2.525 266 K HA 0.095 4.415 4.320 0.000 0.000 0.192 266 K C 0.403 176.916 176.600 -0.144 0.000 1.029 266 K CA 0.187 56.414 56.287 -0.100 0.000 1.029 266 K CB 0.047 32.506 32.500 -0.069 0.000 0.814 266 K HN 0.356 nan 8.250 nan 0.000 0.503 267 Q N 0.583 120.247 119.800 -0.228 0.000 2.394 267 Q HA 0.088 4.428 4.340 0.000 0.000 0.248 267 Q C -0.138 175.761 176.000 -0.170 0.000 0.992 267 Q CA -0.313 55.344 55.803 -0.243 0.000 0.888 267 Q CB 0.755 29.254 28.738 -0.398 0.000 1.257 267 Q HN 0.095 nan 8.270 nan 0.000 0.462 268 R N 2.067 122.487 120.500 -0.134 0.000 2.537 268 R HA -0.042 4.298 4.340 0.000 0.000 0.281 268 R C -0.052 176.184 176.300 -0.107 0.000 0.988 268 R CA 0.061 56.099 56.100 -0.103 0.000 1.077 268 R CB 0.329 30.578 30.300 -0.085 0.000 0.932 268 R HN 0.644 nan 8.270 nan 0.000 0.409 269 M N 7.787 127.335 119.600 -0.085 0.000 2.260 269 M HA 0.057 4.537 4.480 0.000 0.000 0.348 269 M C -1.782 174.474 176.300 -0.074 0.000 1.342 269 M CA -0.958 54.296 55.300 -0.078 0.000 1.040 269 M CB 1.150 33.716 32.600 -0.056 0.000 1.810 269 M HN 0.516 nan 8.290 nan 0.000 0.453 270 P HA -0.229 nan 4.420 nan 0.000 0.215 270 P C 0.939 178.210 177.300 -0.049 0.000 1.157 270 P CA 1.477 64.531 63.100 -0.077 0.000 0.868 270 P CB -0.158 31.489 31.700 -0.089 0.000 0.788 271 Q N 0.498 120.273 119.800 -0.041 0.000 2.152 271 Q HA -0.274 4.067 4.340 0.000 0.000 0.206 271 Q C 2.219 178.212 176.000 -0.013 0.000 0.985 271 Q CA 1.889 57.678 55.803 -0.023 0.000 0.863 271 Q CB -0.568 28.157 28.738 -0.023 0.000 0.904 271 Q HN 0.267 nan 8.270 nan 0.000 0.422 272 E N 0.197 120.383 120.200 -0.023 0.000 2.110 272 E HA -0.195 4.155 4.350 0.000 0.000 0.193 272 E C 1.929 178.521 176.600 -0.013 0.000 0.988 272 E CA 1.406 57.795 56.400 -0.018 0.000 0.804 272 E CB -0.127 29.554 29.700 -0.031 0.000 0.745 272 E HN 0.597 nan 8.360 nan 0.000 0.458 273 I N 0.869 121.426 120.570 -0.022 0.000 2.333 273 I HA -0.196 3.974 4.170 0.000 0.000 0.246 273 I C 2.709 178.834 176.117 0.015 0.000 1.106 273 I CA 1.488 62.778 61.300 -0.016 0.000 1.411 273 I CB -0.452 37.527 38.000 -0.035 0.000 1.082 273 I HN 0.282 nan 8.210 nan 0.000 0.420 274 T N -1.514 113.051 114.554 0.018 0.000 2.857 274 T HA -0.077 4.273 4.350 0.000 0.000 0.266 274 T C 1.720 176.458 174.700 0.063 0.000 1.048 274 T CA 1.014 63.141 62.100 0.045 0.000 1.139 274 T CB -0.463 68.424 68.868 0.030 0.000 0.874 274 T HN 0.169 nan 8.240 nan 0.000 0.455 275 N N 1.816 120.547 118.700 0.053 0.000 2.149 275 N HA -0.079 4.661 4.740 0.000 0.000 0.188 275 N C 1.770 177.328 175.510 0.081 0.000 1.019 275 N CA 1.475 54.563 53.050 0.064 0.000 0.857 275 N CB -0.385 38.130 38.487 0.047 0.000 0.997 275 N HN 0.539 nan 8.380 nan 0.000 0.426 276 K N 1.240 121.687 120.400 0.078 0.000 2.097 276 K HA 0.034 4.354 4.320 0.000 0.000 0.206 276 K C 1.782 178.512 176.600 0.218 0.000 1.049 276 K CA 0.988 57.343 56.287 0.114 0.000 0.933 276 K CB -0.170 32.354 32.500 0.039 0.000 0.717 276 K HN 0.171 nan 8.250 nan 0.000 0.442 277 I N 0.072 120.747 120.570 0.175 0.000 2.584 277 I HA -0.137 4.033 4.170 0.000 0.000 0.255 277 I C 1.927 178.152 176.117 0.179 0.000 1.145 277 I CA 0.600 62.040 61.300 0.233 0.000 1.462 277 I CB -0.078 38.027 38.000 0.174 0.000 1.102 277 I HN 0.094 nan 8.210 nan 0.000 0.433 278 L N 0.701 121.987 121.223 0.104 0.000 2.131 278 L HA -0.124 4.216 4.340 0.000 0.000 0.206 278 L C 2.598 179.468 176.870 -0.000 0.000 1.087 278 L CA 0.973 55.828 54.840 0.026 0.000 0.767 278 L CB -0.448 41.605 42.059 -0.010 0.000 0.917 278 L HN 0.197 nan 8.230 nan 0.000 0.441 279 K N 0.810 121.233 120.400 0.038 0.000 1.987 279 K HA -0.137 4.183 4.320 0.000 0.000 0.216 279 K C 0.238 176.801 176.600 -0.061 0.000 1.051 279 K CA 1.357 57.649 56.287 0.009 0.000 0.942 279 K CB 0.176 32.709 32.500 0.056 0.000 0.722 279 K HN 0.282 nan 8.250 nan 0.000 0.444 280 E N -1.038 119.087 120.200 -0.125 0.000 2.299 280 E HA 0.473 4.823 4.350 0.000 0.000 0.265 280 E C -1.597 174.646 176.600 -0.595 0.000 0.911 280 E CA -0.967 55.184 56.400 -0.415 0.000 0.789 280 E CB 2.013 31.324 29.700 -0.649 0.000 1.246 280 E HN 0.337 nan 8.360 nan 0.000 0.427 281 A N 1.902 124.405 122.820 -0.529 0.000 2.290 281 A HA 0.640 4.960 4.320 0.000 0.000 0.310 281 A C -1.160 176.109 177.584 -0.526 0.000 1.202 281 A CA -0.318 51.504 52.037 -0.358 0.000 0.837 281 A CB 0.007 18.921 19.000 -0.144 0.000 1.139 281 A HN 0.453 nan 8.150 nan 0.000 0.509 282 F N 0.836 120.821 119.950 0.058 0.000 2.556 282 F HA 0.541 5.068 4.527 0.000 0.000 0.327 282 F C 1.176 177.024 175.800 0.079 0.000 1.059 282 F CA -0.326 57.713 58.000 0.065 0.000 0.953 282 F CB 1.839 40.884 39.000 0.074 0.000 1.227 282 F HN 0.668 nan 8.300 nan 0.000 0.478 283 S N 0.617 116.479 115.700 0.269 0.000 2.617 283 S HA 0.444 4.914 4.470 0.000 0.000 0.259 283 S C 1.039 175.782 174.600 0.238 0.000 1.301 283 S CA -0.226 58.088 58.200 0.190 0.000 0.984 283 S CB 1.057 64.339 63.200 0.138 0.000 0.954 283 S HN 0.842 nan 8.310 nan 0.000 0.572 284 A N 0.382 123.329 122.820 0.213 0.000 1.969 284 A HA -0.041 4.279 4.320 0.000 0.000 0.218 284 A C 2.153 179.975 177.584 0.396 0.000 1.169 284 A CA 1.123 53.354 52.037 0.324 0.000 0.635 284 A CB -0.756 18.369 19.000 0.209 0.000 0.810 284 A HN 0.878 nan 8.150 nan 0.000 0.445 285 E N -0.054 120.272 120.200 0.209 0.000 2.152 285 E HA -0.150 4.200 4.350 0.000 0.000 0.192 285 E C 1.768 178.441 176.600 0.120 0.000 0.983 285 E CA 1.120 57.588 56.400 0.114 0.000 0.818 285 E CB -0.192 29.530 29.700 0.037 0.000 0.758 285 E HN 0.769 nan 8.360 nan 0.000 0.467 286 E N 0.775 121.062 120.200 0.144 0.000 2.107 286 E HA -0.083 4.267 4.350 0.000 0.000 0.191 286 E C 1.833 178.456 176.600 0.037 0.000 0.982 286 E CA 0.399 56.853 56.400 0.090 0.000 0.809 286 E CB 0.056 29.856 29.700 0.166 0.000 0.756 286 E HN 0.121 nan 8.360 nan 0.000 0.459 287 N N 0.500 119.301 118.700 0.169 0.000 2.270 287 N HA -0.127 4.613 4.740 0.000 0.000 0.181 287 N C 1.515 177.051 175.510 0.043 0.000 1.016 287 N CA 0.644 53.803 53.050 0.181 0.000 0.870 287 N CB -0.252 38.496 38.487 0.435 0.000 0.979 287 N HN 0.122 nan 8.380 nan 0.000 0.431 288 F N 1.399 121.218 119.950 -0.219 0.000 2.134 288 F HA -0.037 4.491 4.527 0.000 0.000 0.299 288 F C 2.135 177.662 175.800 -0.455 0.000 1.097 288 F CA 0.874 58.432 58.000 -0.737 0.000 1.264 288 F CB -0.240 38.265 39.000 -0.825 0.000 1.001 288 F HN -0.049 nan 8.300 nan 0.000 0.479 289 L N -0.193 120.924 121.223 -0.176 0.000 2.093 289 L HA -0.169 4.171 4.340 0.000 0.000 0.208 289 L C 2.236 178.952 176.870 -0.256 0.000 1.085 289 L CA 1.071 55.786 54.840 -0.207 0.000 0.755 289 L CB -0.352 41.654 42.059 -0.087 0.000 0.904 289 L HN 0.174 nan 8.230 nan 0.000 0.435 290 I N -1.018 119.411 120.570 -0.235 0.000 2.315 290 I HA -0.296 3.874 4.170 0.000 0.000 0.248 290 I C 2.341 178.326 176.117 -0.221 0.000 1.117 290 I CA 0.849 62.014 61.300 -0.224 0.000 1.404 290 I CB -0.197 37.662 38.000 -0.235 0.000 1.071 290 I HN 0.281 nan 8.210 nan 0.000 0.419 291 L N 0.897 121.947 121.223 -0.289 0.000 2.005 291 L HA -0.193 4.147 4.340 0.000 0.000 0.207 291 L C 2.773 179.485 176.870 -0.262 0.000 1.072 291 L CA 2.570 57.246 54.840 -0.273 0.000 0.744 291 L CB -0.952 40.860 42.059 -0.411 0.000 0.895 291 L HN 0.401 nan 8.230 nan 0.000 0.433 292 T N -3.484 110.817 114.554 -0.421 0.000 2.833 292 T HA -0.209 4.141 4.350 0.000 0.000 0.269 292 T C 1.839 176.394 174.700 -0.241 0.000 1.054 292 T CA 1.294 63.193 62.100 -0.336 0.000 1.135 292 T CB -0.551 68.046 68.868 -0.451 0.000 0.869 292 T HN 0.464 nan 8.240 nan 0.000 0.466 293 E N 0.779 120.848 120.200 -0.218 0.000 2.072 293 E HA -0.068 4.282 4.350 0.000 0.000 0.190 293 E C 2.184 178.704 176.600 -0.134 0.000 0.982 293 E CA 0.857 57.159 56.400 -0.163 0.000 0.803 293 E CB -0.228 29.382 29.700 -0.150 0.000 0.755 293 E HN 0.416 nan 8.360 nan 0.000 0.453 294 M N 0.353 119.876 119.600 -0.129 0.000 2.117 294 M HA -0.093 4.388 4.480 0.000 0.000 0.262 294 M C 2.393 178.655 176.300 -0.063 0.000 1.065 294 M CA 1.383 56.626 55.300 -0.094 0.000 1.114 294 M CB -1.140 31.402 32.600 -0.096 0.000 1.361 294 M HN 0.117 nan 8.290 nan 0.000 0.408 295 A N -0.231 122.548 122.820 -0.069 0.000 1.898 295 A HA -0.124 4.196 4.320 0.000 0.000 0.216 295 A C 2.297 179.815 177.584 -0.111 0.000 1.181 295 A CA 2.153 54.173 52.037 -0.028 0.000 0.620 295 A CB -1.086 17.920 19.000 0.010 0.000 0.819 295 A HN 0.467 nan 8.150 nan 0.000 0.442 296 T N 0.155 114.599 114.554 -0.184 0.000 2.746 296 T HA -0.173 4.177 4.350 0.000 0.000 0.267 296 T C 1.930 176.554 174.700 -0.128 0.000 1.039 296 T CA 1.787 63.773 62.100 -0.190 0.000 1.142 296 T CB -0.431 68.332 68.868 -0.176 0.000 0.866 296 T HN 0.719 nan 8.240 nan 0.000 0.444 297 N N 0.384 119.028 118.700 -0.094 0.000 2.142 297 N HA -0.154 4.586 4.740 0.000 0.000 0.186 297 N C 1.756 177.226 175.510 -0.066 0.000 1.023 297 N CA 1.538 54.541 53.050 -0.079 0.000 0.852 297 N CB -0.273 38.171 38.487 -0.071 0.000 0.998 297 N HN 0.535 nan 8.380 nan 0.000 0.424 298 H N -0.457 118.540 119.070 -0.122 0.000 2.352 298 H HA -0.049 4.507 4.556 0.000 0.000 0.299 298 H C 1.734 177.001 175.328 -0.103 0.000 1.097 298 H CA 2.113 58.090 56.048 -0.117 0.000 1.311 298 H CB -0.395 29.306 29.762 -0.100 0.000 1.377 298 H HN 0.095 nan 8.280 nan 0.000 0.504 299 V N 0.852 120.639 119.914 -0.211 0.000 2.295 299 V HA -0.277 3.843 4.120 0.000 0.000 0.246 299 V C 2.444 178.411 176.094 -0.211 0.000 1.049 299 V CA 2.161 64.315 62.300 -0.244 0.000 1.024 299 V CB -0.691 31.032 31.823 -0.166 0.000 0.648 299 V HN 0.516 nan 8.190 nan 0.000 0.447 300 Q N -0.328 119.374 119.800 -0.163 0.000 2.045 300 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 300 Q C 2.352 178.273 176.000 -0.131 0.000 0.991 300 Q CA 2.172 57.898 55.803 -0.128 0.000 0.851 300 Q CB -0.429 28.245 28.738 -0.105 0.000 0.911 300 Q HN 0.545 nan 8.270 nan 0.000 0.418 301 V N 0.829 120.648 119.914 -0.158 0.000 2.427 301 V HA -0.227 3.893 4.120 0.000 0.000 0.248 301 V C 2.138 178.142 176.094 -0.151 0.000 1.051 301 V CA 1.258 63.469 62.300 -0.149 0.000 1.048 301 V CB -0.502 31.217 31.823 -0.173 0.000 0.666 301 V HN 0.311 nan 8.190 nan 0.000 0.456 302 L N 0.124 121.190 121.223 -0.262 0.000 2.042 302 L HA -0.125 4.215 4.340 0.000 0.000 0.210 302 L C 2.358 179.185 176.870 -0.071 0.000 1.076 302 L CA 1.918 56.632 54.840 -0.211 0.000 0.749 302 L CB -0.534 41.296 42.059 -0.382 0.000 0.893 302 L HN 0.141 nan 8.230 nan 0.000 0.432 303 V N -0.274 119.573 119.914 -0.110 0.000 2.343 303 V HA -0.219 3.901 4.120 0.000 0.000 0.247 303 V C 2.646 178.681 176.094 -0.098 0.000 1.051 303 V CA 1.697 63.932 62.300 -0.108 0.000 1.036 303 V CB -0.712 31.058 31.823 -0.089 0.000 0.654 303 V HN 0.441 nan 8.190 nan 0.000 0.451 304 E N -0.231 119.933 120.200 -0.059 0.000 2.058 304 E HA -0.240 4.110 4.350 0.000 0.000 0.194 304 E C 2.020 178.606 176.600 -0.023 0.000 0.997 304 E CA 1.525 57.902 56.400 -0.038 0.000 0.801 304 E CB -0.537 29.146 29.700 -0.027 0.000 0.746 304 E HN 0.624 nan 8.360 nan 0.000 0.450 305 F N 2.117 121.984 119.950 -0.138 0.000 2.126 305 F HA -0.213 4.314 4.527 0.000 0.000 0.299 305 F C 2.290 178.003 175.800 -0.145 0.000 1.096 305 F CA 1.835 59.764 58.000 -0.120 0.000 1.255 305 F CB -0.438 38.508 39.000 -0.089 0.000 0.997 305 F HN -0.071 nan 8.300 nan 0.000 0.479 306 T N 0.362 114.773 114.554 -0.237 0.000 2.821 306 T HA -0.180 4.170 4.350 0.000 0.000 0.267 306 T C 1.865 176.159 174.700 -0.677 0.000 1.046 306 T CA 1.691 63.461 62.100 -0.551 0.000 1.139 306 T CB -0.226 68.275 68.868 -0.611 0.000 0.871 306 T HN 0.249 nan 8.240 nan 0.000 0.454 307 K N 0.843 121.008 120.400 -0.391 0.000 2.211 307 K HA 0.011 4.331 4.320 0.000 0.000 0.203 307 K C 2.125 178.702 176.600 -0.039 0.000 1.050 307 K CA 0.928 57.127 56.287 -0.146 0.000 0.945 307 K CB 0.009 32.487 32.500 -0.036 0.000 0.732 307 K HN 0.212 nan 8.250 nan 0.000 0.451 308 K N 0.551 120.894 120.400 -0.095 0.000 2.426 308 K HA 0.109 4.429 4.320 0.000 0.000 0.193 308 K C -0.012 176.646 176.600 0.096 0.000 1.028 308 K CA -0.028 56.292 56.287 0.054 0.000 1.047 308 K CB 0.177 32.673 32.500 -0.005 0.000 0.821 308 K HN 0.049 nan 8.250 nan 0.000 0.513 309 L N 3.167 124.317 121.223 -0.122 0.000 2.462 309 L HA 0.075 4.415 4.340 0.000 0.000 0.272 309 L C -2.186 174.728 176.870 0.073 0.000 1.166 309 L CA -1.892 52.904 54.840 -0.074 0.000 0.880 309 L CB -0.002 41.947 42.059 -0.183 0.000 1.142 309 L HN -0.198 nan 8.230 nan 0.000 0.473 310 P HA 0.009 nan 4.420 nan 0.000 0.257 310 P C 0.806 178.145 177.300 0.066 0.000 1.189 310 P CA 0.829 63.951 63.100 0.038 0.000 0.780 310 P CB 0.627 32.328 31.700 0.001 0.000 0.772 311 G N 3.099 111.941 108.800 0.071 0.000 2.232 311 G HA2 -0.368 3.592 3.960 0.000 0.000 0.226 311 G HA3 -0.368 3.592 3.960 0.000 0.000 0.226 311 G C 0.858 175.812 174.900 0.091 0.000 0.996 311 G CA 0.096 45.234 45.100 0.063 0.000 0.626 311 G HN 0.478 nan 8.290 nan 0.000 0.509 312 F N 1.792 121.743 119.950 0.002 0.000 2.161 312 F HA -0.066 4.461 4.527 0.000 0.000 0.300 312 F C 2.675 178.484 175.800 0.015 0.000 1.089 312 F CA 2.617 60.620 58.000 0.006 0.000 1.282 312 F CB 0.090 39.086 39.000 -0.008 0.000 1.010 312 F HN 0.224 nan 8.300 nan 0.000 0.485 313 Q N -0.412 119.486 119.800 0.163 0.000 2.364 313 Q HA -0.120 4.220 4.340 0.000 0.000 0.207 313 Q C 2.076 178.078 176.000 0.003 0.000 0.970 313 Q CA 1.651 57.508 55.803 0.090 0.000 0.888 313 Q CB -0.857 27.955 28.738 0.123 0.000 0.951 313 Q HN 0.587 nan 8.270 nan 0.000 0.469 314 T N -2.952 111.590 114.554 -0.021 0.000 3.107 314 T HA 0.252 4.602 4.350 0.000 0.000 0.249 314 T C 0.899 175.561 174.700 -0.063 0.000 1.096 314 T CA -0.161 61.923 62.100 -0.026 0.000 1.012 314 T CB -0.059 68.801 68.868 -0.013 0.000 0.977 314 T HN -0.043 nan 8.240 nan 0.000 0.527 315 L N 1.597 122.734 121.223 -0.144 0.000 2.421 315 L HA 0.426 4.766 4.340 0.000 0.000 0.263 315 L C 0.526 177.334 176.870 -0.104 0.000 1.122 315 L CA -0.996 53.742 54.840 -0.170 0.000 0.804 315 L CB 0.400 42.255 42.059 -0.339 0.000 1.150 315 L HN 0.108 nan 8.230 nan 0.000 0.457 316 D N -0.138 120.222 120.400 -0.068 0.000 2.525 316 D HA -0.093 4.547 4.640 0.000 0.000 0.235 316 D C 1.297 177.616 176.300 0.032 0.000 1.137 316 D CA 0.671 54.665 54.000 -0.011 0.000 0.868 316 D CB 0.557 41.352 40.800 -0.009 0.000 1.180 316 D HN 0.408 nan 8.370 nan 0.000 0.465 317 H N 2.414 121.444 119.070 -0.066 0.000 2.265 317 H HA -0.189 4.367 4.556 0.000 0.000 0.295 317 H C 1.612 176.920 175.328 -0.033 0.000 1.084 317 H CA 1.751 57.768 56.048 -0.051 0.000 1.261 317 H CB 0.394 30.143 29.762 -0.022 0.000 1.360 317 H HN 0.699 nan 8.280 nan 0.000 0.487 318 E N 0.419 120.685 120.200 0.109 0.000 2.347 318 E HA -0.122 4.228 4.350 0.000 0.000 0.196 318 E C 1.061 177.688 176.600 0.046 0.000 1.008 318 E CA 1.081 57.520 56.400 0.065 0.000 0.852 318 E CB 0.069 29.816 29.700 0.078 0.000 0.783 318 E HN 0.410 nan 8.360 nan 0.000 0.505 319 D N 1.431 121.844 120.400 0.020 0.000 2.149 319 D HA -0.101 4.539 4.640 0.000 0.000 0.201 319 D C 1.891 178.175 176.300 -0.026 0.000 0.972 319 D CA 0.908 54.910 54.000 0.004 0.000 0.835 319 D CB -0.054 40.732 40.800 -0.023 0.000 0.966 319 D HN 0.289 nan 8.370 nan 0.000 0.476 320 Q N -0.100 119.634 119.800 -0.110 0.000 2.124 320 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 320 Q C 2.215 178.295 176.000 0.133 0.000 0.977 320 Q CA 0.790 56.515 55.803 -0.130 0.000 0.850 320 Q CB 0.062 28.630 28.738 -0.283 0.000 0.901 320 Q HN 0.377 nan 8.270 nan 0.000 0.429 321 I N 0.232 120.837 120.570 0.058 0.000 2.286 321 I HA -0.195 3.975 4.170 0.000 0.000 0.245 321 I C 2.343 178.497 176.117 0.061 0.000 1.104 321 I CA 0.715 62.051 61.300 0.059 0.000 1.397 321 I CB -0.345 37.667 38.000 0.021 0.000 1.072 321 I HN 0.136 nan 8.210 nan 0.000 0.417 322 A N 0.935 123.791 122.820 0.060 0.000 1.972 322 A HA -0.134 4.186 4.320 0.000 0.000 0.219 322 A C 2.287 179.921 177.584 0.083 0.000 1.169 322 A CA 1.282 53.353 52.037 0.058 0.000 0.635 322 A CB -0.663 18.394 19.000 0.095 0.000 0.810 322 A HN 0.375 nan 8.150 nan 0.000 0.446 323 L N -1.011 120.286 121.223 0.124 0.000 2.072 323 L HA -0.119 4.221 4.340 0.000 0.000 0.205 323 L C 2.542 179.499 176.870 0.145 0.000 1.079 323 L CA 0.899 55.836 54.840 0.162 0.000 0.752 323 L CB -0.439 41.780 42.059 0.266 0.000 0.906 323 L HN 0.367 nan 8.230 nan 0.000 0.436 324 L N -0.465 120.844 121.223 0.143 0.000 2.044 324 L HA -0.192 4.148 4.340 0.000 0.000 0.205 324 L C 2.634 179.546 176.870 0.070 0.000 1.075 324 L CA 1.296 56.190 54.840 0.090 0.000 0.747 324 L CB -0.358 41.743 42.059 0.071 0.000 0.903 324 L HN 0.172 nan 8.230 nan 0.000 0.435 325 K N -0.164 120.270 120.400 0.056 0.000 2.097 325 K HA -0.126 4.194 4.320 0.000 0.000 0.206 325 K C 1.973 178.608 176.600 0.059 0.000 1.049 325 K CA 1.316 57.631 56.287 0.047 0.000 0.933 325 K CB -0.376 32.127 32.500 0.004 0.000 0.717 325 K HN 0.392 nan 8.250 nan 0.000 0.442 326 G N 0.127 108.962 108.800 0.059 0.000 2.572 326 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 326 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 326 G C 1.331 176.273 174.900 0.070 0.000 1.133 326 G CA 0.942 46.079 45.100 0.061 0.000 0.791 326 G HN 0.400 nan 8.290 nan 0.000 0.538 327 S N -0.940 114.812 115.700 0.086 0.000 2.559 327 S HA 0.520 4.990 4.470 0.000 0.000 0.226 327 S C 2.283 176.954 174.600 0.117 0.000 1.030 327 S CA 0.974 59.233 58.200 0.098 0.000 0.956 327 S CB 0.364 63.631 63.200 0.111 0.000 0.900 327 S HN 0.362 nan 8.310 nan 0.000 0.510 328 A N 2.297 125.192 122.820 0.124 0.000 1.865 328 A HA 0.010 4.330 4.320 0.000 0.000 0.217 328 A C 2.256 179.969 177.584 0.215 0.000 1.191 328 A CA 2.114 54.256 52.037 0.175 0.000 0.623 328 A CB -1.292 17.817 19.000 0.181 0.000 0.826 328 A HN 0.444 nan 8.150 nan 0.000 0.444 329 V N 0.128 120.118 119.914 0.127 0.000 2.343 329 V HA -0.267 3.853 4.120 0.000 0.000 0.247 329 V C 2.421 178.548 176.094 0.054 0.000 1.051 329 V CA 2.293 64.560 62.300 -0.055 0.000 1.036 329 V CB -0.941 30.660 31.823 -0.369 0.000 0.654 329 V HN 0.650 nan 8.190 nan 0.000 0.451 330 E N 0.465 120.709 120.200 0.075 0.000 2.085 330 E HA -0.219 4.131 4.350 0.000 0.000 0.194 330 E C 2.339 179.024 176.600 0.143 0.000 0.994 330 E CA 1.353 57.813 56.400 0.101 0.000 0.801 330 E CB -0.372 29.367 29.700 0.065 0.000 0.743 330 E HN 0.601 nan 8.360 nan 0.000 0.453 331 A N 1.581 124.501 122.820 0.167 0.000 1.940 331 A HA -0.220 4.100 4.320 0.000 0.000 0.219 331 A C 2.157 179.810 177.584 0.115 0.000 1.176 331 A CA 1.611 53.782 52.037 0.222 0.000 0.631 331 A CB -0.555 18.630 19.000 0.308 0.000 0.814 331 A HN 0.292 nan 8.150 nan 0.000 0.446 332 M N -1.755 117.831 119.600 -0.022 0.000 2.086 332 M HA -0.131 4.349 4.480 0.000 0.000 0.261 332 M C 1.812 177.893 176.300 -0.365 0.000 1.067 332 M CA 2.014 57.026 55.300 -0.481 0.000 1.116 332 M CB -0.252 32.116 32.600 -0.386 0.000 1.348 332 M HN 0.338 nan 8.290 nan 0.000 0.407 333 F N 0.212 120.062 119.950 -0.167 0.000 2.186 333 F HA -0.155 4.372 4.527 0.000 0.000 0.299 333 F C 2.064 177.889 175.800 0.042 0.000 1.090 333 F CA 0.995 58.905 58.000 -0.150 0.000 1.307 333 F CB -0.694 38.043 39.000 -0.438 0.000 1.019 333 F HN 0.189 nan 8.300 nan 0.000 0.489 334 L N 0.421 121.797 121.223 0.255 0.000 2.046 334 L HA -0.172 4.168 4.340 0.000 0.000 0.208 334 L C 2.503 179.477 176.870 0.174 0.000 1.077 334 L CA 1.687 56.719 54.840 0.320 0.000 0.747 334 L CB -0.666 41.570 42.059 0.295 0.000 0.896 334 L HN -0.053 nan 8.230 nan 0.000 0.432 335 R N -0.607 119.912 120.500 0.033 0.000 2.075 335 R HA -0.066 4.275 4.340 0.000 0.000 0.232 335 R C 2.256 178.461 176.300 -0.159 0.000 1.126 335 R CA 1.874 57.921 56.100 -0.089 0.000 0.963 335 R CB -0.835 29.355 30.300 -0.183 0.000 0.858 335 R HN 0.448 nan 8.270 nan 0.000 0.435 336 S N 0.228 115.827 115.700 -0.167 0.000 2.382 336 S HA -0.088 4.382 4.470 0.000 0.000 0.228 336 S C 1.932 176.308 174.600 -0.373 0.000 1.027 336 S CA 1.076 59.142 58.200 -0.224 0.000 0.991 336 S CB -0.393 62.703 63.200 -0.173 0.000 0.823 336 S HN 0.552 nan 8.310 nan 0.000 0.469 337 A N 1.517 124.185 122.820 -0.253 0.000 1.877 337 A HA -0.171 4.149 4.320 0.000 0.000 0.216 337 A C 2.050 179.571 177.584 -0.105 0.000 1.186 337 A CA 1.742 53.633 52.037 -0.242 0.000 0.620 337 A CB -0.675 18.431 19.000 0.176 0.000 0.822 337 A HN 0.596 nan 8.150 nan 0.000 0.443 338 E N -0.075 120.014 120.200 -0.186 0.000 2.058 338 E HA -0.205 4.145 4.350 0.000 0.000 0.194 338 E C 1.913 178.357 176.600 -0.259 0.000 0.997 338 E CA 1.563 57.672 56.400 -0.485 0.000 0.801 338 E CB -0.266 28.826 29.700 -1.014 0.000 0.746 338 E HN 0.666 nan 8.360 nan 0.000 0.450 339 I N 0.312 120.760 120.570 -0.203 0.000 2.179 339 I HA -0.250 3.920 4.170 0.000 0.000 0.242 339 I C 2.392 178.472 176.117 -0.062 0.000 1.088 339 I CA 1.081 62.305 61.300 -0.127 0.000 1.357 339 I CB -0.413 37.521 38.000 -0.110 0.000 1.051 339 I HN 0.192 nan 8.210 nan 0.000 0.409 340 F N 2.143 121.968 119.950 -0.208 0.000 2.202 340 F HA -0.233 4.295 4.527 0.000 0.000 0.301 340 F C 2.155 177.924 175.800 -0.053 0.000 1.082 340 F CA 1.684 59.604 58.000 -0.133 0.000 1.313 340 F CB -0.291 38.550 39.000 -0.265 0.000 1.024 340 F HN 0.114 nan 8.300 nan 0.000 0.495 341 N N 0.127 118.826 118.700 -0.002 0.000 2.353 341 N HA -0.037 4.703 4.740 0.000 0.000 0.185 341 N C 0.071 175.545 175.510 -0.061 0.000 1.098 341 N CA 0.177 53.216 53.050 -0.018 0.000 0.872 341 N CB -0.025 38.539 38.487 0.129 0.000 0.970 341 N HN 0.092 nan 8.380 nan 0.000 0.467 342 K N 2.042 122.391 120.400 -0.085 0.000 2.484 342 K HA 0.012 4.332 4.320 0.000 0.000 0.280 342 K C 0.602 177.153 176.600 -0.083 0.000 1.013 342 K CA 0.169 56.413 56.287 -0.072 0.000 1.029 342 K CB 0.554 33.008 32.500 -0.077 0.000 0.902 342 K HN -0.106 nan 8.250 nan 0.000 0.481 343 K N 3.700 124.066 120.400 -0.057 0.000 2.472 343 K HA 0.048 4.368 4.320 0.000 0.000 0.280 343 K C 0.205 176.758 176.600 -0.078 0.000 1.028 343 K CA 0.341 56.591 56.287 -0.062 0.000 1.045 343 K CB 0.115 32.590 32.500 -0.042 0.000 0.902 343 K HN 0.432 nan 8.250 nan 0.000 0.478 344 L N 4.581 125.750 121.223 -0.091 0.000 2.309 344 L HA 0.448 4.788 4.340 0.000 0.000 0.261 344 L C -2.005 174.771 176.870 -0.158 0.000 1.021 344 L CA -2.375 52.398 54.840 -0.111 0.000 0.823 344 L CB 1.827 43.850 42.059 -0.060 0.000 1.366 344 L HN 0.440 nan 8.230 nan 0.000 0.423 345 P HA -0.036 nan 4.420 nan 0.000 0.270 345 P C -0.497 176.703 177.300 -0.167 0.000 1.221 345 P CA -0.128 62.740 63.100 -0.386 0.000 0.788 345 P CB 0.432 31.572 31.700 -0.933 0.000 0.904 346 S N 0.726 116.385 115.700 -0.067 0.000 2.544 346 S HA 0.283 4.753 4.470 0.000 0.000 0.290 346 S C 1.551 176.219 174.600 0.113 0.000 1.276 346 S CA 0.973 59.183 58.200 0.017 0.000 1.075 346 S CB -1.337 61.869 63.200 0.010 0.000 0.849 346 S HN 0.859 nan 8.310 nan 0.000 0.494 347 G N 4.901 113.748 108.800 0.079 0.000 2.304 347 G HA2 -0.315 3.645 3.960 0.000 0.000 0.252 347 G HA3 -0.315 3.645 3.960 0.000 0.000 0.252 347 G C 0.697 175.653 174.900 0.093 0.000 1.014 347 G CA 0.860 46.004 45.100 0.074 0.000 0.619 347 G HN 0.796 nan 8.290 nan 0.000 0.525 348 H N 1.118 120.166 119.070 -0.036 0.000 2.353 348 H HA 0.029 4.585 4.556 0.000 0.000 0.298 348 H C 2.924 178.219 175.328 -0.054 0.000 1.103 348 H CA 2.119 58.145 56.048 -0.036 0.000 1.293 348 H CB -0.285 29.454 29.762 -0.038 0.000 1.372 348 H HN 0.468 nan 8.280 nan 0.000 0.501 349 S N 0.038 115.758 115.700 0.035 0.000 2.402 349 S HA -0.121 4.349 4.470 0.000 0.000 0.229 349 S C 1.473 176.029 174.600 -0.073 0.000 1.021 349 S CA 1.350 59.492 58.200 -0.097 0.000 0.974 349 S CB -0.097 62.986 63.200 -0.195 0.000 0.800 349 S HN 0.511 nan 8.310 nan 0.000 0.484 350 D N 1.399 121.781 120.400 -0.030 0.000 2.117 350 D HA -0.050 4.590 4.640 0.000 0.000 0.198 350 D C 1.795 178.095 176.300 -0.000 0.000 0.982 350 D CA 0.466 54.456 54.000 -0.017 0.000 0.828 350 D CB -0.308 40.486 40.800 -0.010 0.000 0.967 350 D HN 0.185 nan 8.370 nan 0.000 0.464 351 L N 0.310 121.529 121.223 -0.007 0.000 2.093 351 L HA -0.019 4.322 4.340 0.000 0.000 0.208 351 L C 1.862 178.757 176.870 0.041 0.000 1.085 351 L CA 1.125 55.963 54.840 -0.003 0.000 0.755 351 L CB -0.565 41.460 42.059 -0.056 0.000 0.904 351 L HN 0.043 nan 8.230 nan 0.000 0.435 352 L N 0.046 121.297 121.223 0.047 0.000 1.989 352 L HA -0.252 4.088 4.340 0.000 0.000 0.211 352 L C 2.515 179.524 176.870 0.233 0.000 1.071 352 L CA 2.366 57.276 54.840 0.117 0.000 0.749 352 L CB -1.000 41.098 42.059 0.064 0.000 0.890 352 L HN 0.564 nan 8.230 nan 0.000 0.431 353 E N -0.713 119.622 120.200 0.225 0.000 2.085 353 E HA -0.268 4.083 4.350 0.000 0.000 0.194 353 E C 2.041 178.759 176.600 0.197 0.000 0.994 353 E CA 1.321 57.864 56.400 0.239 0.000 0.801 353 E CB -0.221 29.457 29.700 -0.037 0.000 0.743 353 E HN 0.631 nan 8.360 nan 0.000 0.453 354 A N 1.595 124.483 122.820 0.114 0.000 1.865 354 A HA -0.195 4.125 4.320 0.000 0.000 0.217 354 A C 2.177 179.848 177.584 0.145 0.000 1.191 354 A CA 1.502 53.601 52.037 0.104 0.000 0.623 354 A CB -0.534 18.499 19.000 0.055 0.000 0.826 354 A HN 0.156 nan 8.150 nan 0.000 0.444 355 R N -0.294 120.294 120.500 0.146 0.000 2.139 355 R HA -0.106 4.234 4.340 0.000 0.000 0.243 355 R C 1.941 178.365 176.300 0.207 0.000 1.145 355 R CA 1.516 57.712 56.100 0.159 0.000 0.976 355 R CB -0.858 29.537 30.300 0.158 0.000 0.866 355 R HN 0.696 nan 8.270 nan 0.000 0.449 356 I N 0.260 120.998 120.570 0.280 0.000 2.333 356 I HA -0.166 4.004 4.170 0.000 0.000 0.246 356 I C 2.301 178.564 176.117 0.242 0.000 1.106 356 I CA 0.796 62.281 61.300 0.309 0.000 1.411 356 I CB -0.270 38.011 38.000 0.468 0.000 1.082 356 I HN 0.062 nan 8.210 nan 0.000 0.420 357 R N 0.695 121.393 120.500 0.329 0.000 2.200 357 R HA -0.191 4.149 4.340 0.000 0.000 0.234 357 R C 1.142 177.496 176.300 0.089 0.000 1.127 357 R CA 1.385 57.630 56.100 0.242 0.000 0.989 357 R CB -0.575 29.891 30.300 0.277 0.000 0.869 357 R HN 0.343 nan 8.270 nan 0.000 0.459 358 N N -0.034 118.720 118.700 0.090 0.000 2.238 358 N HA -0.015 4.725 4.740 0.000 0.000 0.222 358 N C 1.039 176.571 175.510 0.035 0.000 1.133 358 N CA -0.023 53.053 53.050 0.043 0.000 0.854 358 N CB 0.499 39.022 38.487 0.061 0.000 1.041 358 N HN 0.093 nan 8.380 nan 0.000 0.510 359 S N -1.548 114.167 115.700 0.024 0.000 2.419 359 S HA 0.055 4.526 4.470 0.000 0.000 0.233 359 S C 1.621 176.191 174.600 -0.050 0.000 1.016 359 S CA 1.215 59.467 58.200 0.087 0.000 0.974 359 S CB -0.085 63.207 63.200 0.153 0.000 0.786 359 S HN 0.385 nan 8.310 nan 0.000 0.492 360 G N 0.580 109.138 108.800 -0.403 0.000 2.421 360 G HA2 -0.120 3.840 3.960 0.000 0.000 0.188 360 G HA3 -0.120 3.840 3.960 0.000 0.000 0.188 360 G C 0.006 174.252 174.900 -1.091 0.000 1.001 360 G CA -0.185 44.527 45.100 -0.647 0.000 0.693 360 G HN 0.617 nan 8.290 nan 0.000 0.479 361 I N 2.710 122.510 120.570 -1.283 0.000 2.588 361 I HA 0.510 4.681 4.170 0.000 0.000 0.283 361 I C 1.112 177.049 176.117 -0.300 0.000 1.119 361 I CA 0.022 60.830 61.300 -0.821 0.000 1.419 361 I CB 1.140 38.760 38.000 -0.633 0.000 1.394 361 I HN 0.229 nan 8.210 nan 0.000 0.562 362 S N 4.485 120.134 115.700 -0.085 0.000 2.558 362 S HA -0.124 4.346 4.470 0.000 0.000 0.291 362 S C 0.905 175.497 174.600 -0.014 0.000 1.306 362 S CA 0.383 58.585 58.200 0.004 0.000 1.056 362 S CB 0.612 63.889 63.200 0.128 0.000 0.836 362 S HN 0.863 nan 8.310 nan 0.000 0.504 363 D N 1.847 122.216 120.400 -0.053 0.000 2.310 363 D HA -0.074 4.566 4.640 0.000 0.000 0.212 363 D C 1.839 178.079 176.300 -0.100 0.000 0.965 363 D CA 1.197 55.165 54.000 -0.054 0.000 0.879 363 D CB 0.019 40.795 40.800 -0.040 0.000 0.921 363 D HN 0.808 nan 8.370 nan 0.000 0.510 364 E N -1.024 119.061 120.200 -0.193 0.000 2.153 364 E HA -0.220 4.130 4.350 0.000 0.000 0.194 364 E C 0.833 177.169 176.600 -0.441 0.000 0.988 364 E CA 0.999 57.175 56.400 -0.373 0.000 0.811 364 E CB 0.042 29.393 29.700 -0.582 0.000 0.746 364 E HN 0.496 nan 8.360 nan 0.000 0.466 365 Y N -1.023 119.228 120.300 -0.081 0.000 2.507 365 Y HA 0.106 4.656 4.550 0.000 0.000 0.263 365 Y C 1.777 177.626 175.900 -0.086 0.000 1.093 365 Y CA -0.136 57.922 58.100 -0.070 0.000 1.285 365 Y CB 0.158 38.601 38.460 -0.029 0.000 1.115 365 Y HN 0.089 nan 8.280 nan 0.000 0.533 366 I N -0.186 120.387 120.570 0.005 0.000 2.676 366 I HA -0.173 3.997 4.170 0.000 0.000 0.259 366 I C 1.912 177.943 176.117 -0.144 0.000 1.194 366 I CA 1.513 62.728 61.300 -0.141 0.000 1.473 366 I CB -0.512 37.423 38.000 -0.107 0.000 1.096 366 I HN 0.100 nan 8.210 nan 0.000 0.443 367 T N 2.450 116.984 114.554 -0.034 0.000 2.668 367 T HA -0.011 4.339 4.350 0.000 0.000 0.258 367 T C -0.529 174.180 174.700 0.015 0.000 1.051 367 T CA 1.780 63.897 62.100 0.027 0.000 1.155 367 T CB -1.325 67.543 68.868 -0.001 0.000 0.864 367 T HN 0.289 nan 8.240 nan 0.000 0.413 368 P HA -0.021 nan 4.420 nan 0.000 0.222 368 P C 1.585 178.932 177.300 0.080 0.000 1.147 368 P CA 0.966 64.055 63.100 -0.019 0.000 0.790 368 P CB -0.137 31.482 31.700 -0.135 0.000 0.780 369 M N -1.664 117.945 119.600 0.014 0.000 2.099 369 M HA -0.114 4.366 4.480 0.000 0.000 0.262 369 M C 1.766 177.712 176.300 -0.589 0.000 1.067 369 M CA 1.863 57.037 55.300 -0.210 0.000 1.124 369 M CB -0.332 32.002 32.600 -0.443 0.000 1.353 369 M HN -0.248 nan 8.290 nan 0.000 0.410 370 F N 0.259 119.998 119.950 -0.352 0.000 2.206 370 F HA -0.112 4.415 4.527 0.000 0.000 0.298 370 F C 2.926 178.666 175.800 -0.100 0.000 1.090 370 F CA 1.379 59.184 58.000 -0.326 0.000 1.323 370 F CB -1.204 37.700 39.000 -0.159 0.000 1.028 370 F HN 0.322 nan 8.300 nan 0.000 0.492 371 S N -0.317 115.486 115.700 0.171 0.000 2.399 371 S HA -0.264 4.207 4.470 0.000 0.000 0.231 371 S C 2.019 176.735 174.600 0.194 0.000 1.022 371 S CA 1.019 59.312 58.200 0.156 0.000 0.983 371 S CB -1.425 61.844 63.200 0.115 0.000 0.803 371 S HN 0.343 nan 8.310 nan 0.000 0.480 372 F N 1.761 121.757 119.950 0.075 0.000 2.128 372 F HA 0.033 4.560 4.527 0.000 0.000 0.295 372 F C 2.167 178.113 175.800 0.243 0.000 1.100 372 F CA 0.906 58.994 58.000 0.146 0.000 1.260 372 F CB -0.514 38.613 39.000 0.212 0.000 1.009 372 F HN 0.050 nan 8.300 nan 0.000 0.476 373 Y N 1.328 121.685 120.300 0.094 0.000 2.097 373 Y HA -0.227 4.323 4.550 0.000 0.000 0.282 373 Y C 2.443 178.382 175.900 0.065 0.000 1.152 373 Y CA 1.506 59.603 58.100 -0.005 0.000 1.136 373 Y CB -1.413 36.926 38.460 -0.202 0.000 0.975 373 Y HN 0.114 nan 8.280 nan 0.000 0.498 374 K N 0.043 120.616 120.400 0.289 0.000 2.097 374 K HA -0.136 4.185 4.320 0.000 0.000 0.206 374 K C 2.333 179.010 176.600 0.129 0.000 1.049 374 K CA 1.678 58.112 56.287 0.245 0.000 0.933 374 K CB -0.320 32.304 32.500 0.207 0.000 0.717 374 K HN 0.367 nan 8.250 nan 0.000 0.442 375 S N 1.427 117.167 115.700 0.066 0.000 2.355 375 S HA -0.108 4.362 4.470 0.000 0.000 0.222 375 S C 2.056 176.628 174.600 -0.046 0.000 1.031 375 S CA 0.667 58.874 58.200 0.012 0.000 0.993 375 S CB -0.374 62.830 63.200 0.007 0.000 0.859 375 S HN 0.067 nan 8.310 nan 0.000 0.453 376 I N 3.033 123.506 120.570 -0.162 0.000 2.194 376 I HA -0.153 4.017 4.170 0.000 0.000 0.246 376 I C 2.776 178.884 176.117 -0.015 0.000 1.093 376 I CA 1.724 62.913 61.300 -0.184 0.000 1.355 376 I CB -2.030 35.772 38.000 -0.330 0.000 1.046 376 I HN 0.536 nan 8.210 nan 0.000 0.413 377 G N -0.023 108.817 108.800 0.067 0.000 2.422 377 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 377 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 377 G C 1.524 176.473 174.900 0.082 0.000 1.146 377 G CA 0.175 45.343 45.100 0.114 0.000 0.769 377 G HN 0.372 nan 8.290 nan 0.000 0.547 378 E N 0.312 120.551 120.200 0.065 0.000 2.171 378 E HA -0.098 4.252 4.350 0.000 0.000 0.197 378 E C 2.516 179.159 176.600 0.073 0.000 0.997 378 E CA 0.605 57.041 56.400 0.060 0.000 0.810 378 E CB -0.214 29.516 29.700 0.049 0.000 0.738 378 E HN 0.461 nan 8.360 nan 0.000 0.467 379 L N 0.591 121.857 121.223 0.072 0.000 2.450 379 L HA -0.092 4.248 4.340 0.000 0.000 0.224 379 L C 0.608 177.593 176.870 0.192 0.000 1.149 379 L CA 0.501 55.436 54.840 0.159 0.000 0.816 379 L CB -0.310 41.781 42.059 0.053 0.000 0.932 379 L HN -0.024 nan 8.230 nan 0.000 0.449 380 K N 0.822 121.279 120.400 0.096 0.000 3.257 380 K HA -0.183 4.137 4.320 0.000 0.000 0.270 380 K C -0.165 176.458 176.600 0.038 0.000 0.984 380 K CA 1.017 57.342 56.287 0.062 0.000 0.739 380 K CB -1.546 30.975 32.500 0.036 0.000 1.351 380 K HN 0.393 nan 8.250 nan 0.000 0.463 381 M N 0.488 120.095 119.600 0.013 0.000 2.233 381 M HA 0.044 4.524 4.480 0.000 0.000 0.350 381 M C 1.435 177.708 176.300 -0.044 0.000 1.176 381 M CA 0.131 55.369 55.300 -0.103 0.000 1.150 381 M CB 0.728 33.053 32.600 -0.458 0.000 1.530 381 M HN 0.307 nan 8.290 nan 0.000 0.459 382 T N -1.478 113.009 114.554 -0.111 0.000 2.816 382 T HA 0.116 4.466 4.350 0.000 0.000 0.282 382 T C 0.754 175.498 174.700 0.074 0.000 0.993 382 T CA -0.692 61.371 62.100 -0.060 0.000 0.994 382 T CB 1.128 69.838 68.868 -0.264 0.000 1.025 382 T HN 0.800 nan 8.240 nan 0.000 0.529 383 Q N -0.130 119.744 119.800 0.124 0.000 2.170 383 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 383 Q C 2.026 178.066 176.000 0.066 0.000 0.976 383 Q CA 1.608 57.528 55.803 0.194 0.000 0.858 383 Q CB -0.104 28.718 28.738 0.140 0.000 0.907 383 Q HN 0.851 nan 8.270 nan 0.000 0.433 384 E N 0.183 120.376 120.200 -0.011 0.000 2.106 384 E HA -0.192 4.158 4.350 0.000 0.000 0.192 384 E C 1.775 178.326 176.600 -0.082 0.000 0.984 384 E CA 1.152 57.524 56.400 -0.047 0.000 0.806 384 E CB 0.052 29.737 29.700 -0.026 0.000 0.750 384 E HN 0.442 nan 8.360 nan 0.000 0.458 385 E N -0.167 119.968 120.200 -0.109 0.000 2.204 385 E HA -0.160 4.190 4.350 0.000 0.000 0.194 385 E C 1.599 178.103 176.600 -0.160 0.000 0.989 385 E CA 0.687 57.015 56.400 -0.120 0.000 0.824 385 E CB -0.008 29.606 29.700 -0.143 0.000 0.756 385 E HN 0.302 nan 8.360 nan 0.000 0.477 386 Y N 0.607 120.827 120.300 -0.132 0.000 2.200 386 Y HA -0.162 4.388 4.550 0.000 0.000 0.290 386 Y C 2.383 178.033 175.900 -0.415 0.000 1.137 386 Y CA 1.127 59.123 58.100 -0.173 0.000 1.163 386 Y CB -0.526 37.874 38.460 -0.101 0.000 0.988 386 Y HN 0.037 nan 8.280 nan 0.000 0.518 387 A N -0.024 122.461 122.820 -0.559 0.000 1.877 387 A HA -0.156 4.164 4.320 0.000 0.000 0.216 387 A C 2.282 179.757 177.584 -0.181 0.000 1.186 387 A CA 1.646 53.178 52.037 -0.842 0.000 0.620 387 A CB -1.102 17.510 19.000 -0.647 0.000 0.822 387 A HN 0.447 nan 8.150 nan 0.000 0.443 388 L N -1.284 119.901 121.223 -0.064 0.000 2.027 388 L HA -0.161 4.179 4.340 0.000 0.000 0.206 388 L C 2.561 179.475 176.870 0.073 0.000 1.074 388 L CA 1.094 55.964 54.840 0.050 0.000 0.745 388 L CB -0.522 41.569 42.059 0.054 0.000 0.898 388 L HN 0.413 nan 8.230 nan 0.000 0.433 389 L N -0.317 120.927 121.223 0.036 0.000 2.043 389 L HA -0.231 4.109 4.340 0.000 0.000 0.212 389 L C 2.486 179.419 176.870 0.106 0.000 1.075 389 L CA 2.104 56.979 54.840 0.058 0.000 0.752 389 L CB -0.744 41.327 42.059 0.021 0.000 0.891 389 L HN 0.206 nan 8.230 nan 0.000 0.432 390 T N -0.532 114.091 114.554 0.115 0.000 2.708 390 T HA -0.154 4.196 4.350 0.000 0.000 0.266 390 T C 1.916 176.765 174.700 0.249 0.000 1.037 390 T CA 1.320 63.527 62.100 0.179 0.000 1.146 390 T CB -0.586 68.384 68.868 0.170 0.000 0.865 390 T HN 0.502 nan 8.240 nan 0.000 0.435 391 A N 1.200 124.205 122.820 0.309 0.000 1.908 391 A HA -0.077 4.243 4.320 0.000 0.000 0.218 391 A C 2.296 179.989 177.584 0.182 0.000 1.181 391 A CA 1.389 53.606 52.037 0.300 0.000 0.627 391 A CB -0.881 18.265 19.000 0.244 0.000 0.818 391 A HN 0.546 nan 8.150 nan 0.000 0.445 392 I N -0.591 120.070 120.570 0.151 0.000 2.315 392 I HA -0.192 3.979 4.170 0.000 0.000 0.248 392 I C 2.281 178.468 176.117 0.117 0.000 1.117 392 I CA 0.916 62.289 61.300 0.122 0.000 1.404 392 I CB -0.260 37.804 38.000 0.107 0.000 1.071 392 I HN 0.155 nan 8.210 nan 0.000 0.419 393 V N 1.226 121.216 119.914 0.126 0.000 2.343 393 V HA -0.269 3.851 4.120 0.000 0.000 0.247 393 V C 2.292 178.461 176.094 0.126 0.000 1.051 393 V CA 1.811 64.182 62.300 0.119 0.000 1.036 393 V CB -0.380 31.522 31.823 0.131 0.000 0.654 393 V HN 0.335 nan 8.190 nan 0.000 0.451 394 I N -0.409 120.249 120.570 0.148 0.000 2.252 394 I HA -0.171 3.999 4.170 0.000 0.000 0.245 394 I C 1.308 177.515 176.117 0.150 0.000 1.102 394 I CA 1.437 62.823 61.300 0.143 0.000 1.385 394 I CB -0.147 37.936 38.000 0.138 0.000 1.064 394 I HN 0.215 nan 8.210 nan 0.000 0.414 395 L N 1.318 122.628 121.223 0.146 0.000 2.873 395 L HA 0.149 4.489 4.340 0.000 0.000 0.236 395 L C 0.083 177.022 176.870 0.115 0.000 1.375 395 L CA -0.190 54.738 54.840 0.147 0.000 1.239 395 L CB -0.519 41.623 42.059 0.139 0.000 1.603 395 L HN 0.039 nan 8.230 nan 0.000 0.430 396 S N 1.099 116.865 115.700 0.109 0.000 2.430 396 S HA 0.243 4.714 4.470 0.000 0.000 0.289 396 S C -1.558 173.091 174.600 0.081 0.000 1.143 396 S CA -0.970 57.283 58.200 0.087 0.000 1.067 396 S CB 1.358 64.607 63.200 0.080 0.000 0.964 396 S HN 0.135 nan 8.310 nan 0.000 0.485 397 P HA 0.042 nan 4.420 nan 0.000 0.237 397 P C 0.131 177.465 177.300 0.057 0.000 1.178 397 P CA 0.608 63.744 63.100 0.060 0.000 0.766 397 P CB 0.142 31.872 31.700 0.050 0.000 0.876 398 D N -0.659 119.777 120.400 0.059 0.000 2.358 398 D HA 0.058 4.699 4.640 0.000 0.000 0.224 398 D C 0.366 176.706 176.300 0.067 0.000 1.123 398 D CA 0.159 54.192 54.000 0.056 0.000 0.833 398 D CB 0.085 40.914 40.800 0.049 0.000 0.946 398 D HN 0.036 nan 8.370 nan 0.000 0.505 399 R N 1.721 122.268 120.500 0.078 0.000 2.438 399 R HA 0.131 4.471 4.340 0.000 0.000 0.287 399 R C 0.966 177.335 176.300 0.116 0.000 1.077 399 R CA -0.245 55.911 56.100 0.094 0.000 1.034 399 R CB 0.462 30.820 30.300 0.096 0.000 0.993 399 R HN 0.313 nan 8.270 nan 0.000 0.459 400 Q N 1.090 120.978 119.800 0.147 0.000 2.474 400 Q HA -0.018 4.322 4.340 0.000 0.000 0.256 400 Q C -0.607 175.608 176.000 0.357 0.000 1.048 400 Q CA -0.222 55.710 55.803 0.215 0.000 0.922 400 Q CB 0.284 29.185 28.738 0.273 0.000 1.288 400 Q HN 0.589 nan 8.270 nan 0.000 0.484 401 Y N -2.260 118.052 120.300 0.021 0.000 4.936 401 Y HA -0.206 4.344 4.550 0.000 0.000 0.260 401 Y C -0.038 175.873 175.900 0.019 0.000 0.928 401 Y CA 0.379 58.491 58.100 0.020 0.000 1.869 401 Y CB -1.194 37.280 38.460 0.024 0.000 1.344 401 Y HN 0.601 nan 8.280 nan 0.000 0.521 402 I N 1.957 122.610 120.570 0.139 0.000 2.471 402 I HA -0.025 4.145 4.170 0.000 0.000 0.286 402 I C 1.371 177.514 176.117 0.044 0.000 1.079 402 I CA 0.364 61.715 61.300 0.085 0.000 1.398 402 I CB 1.351 39.395 38.000 0.072 0.000 1.403 402 I HN 0.277 nan 8.210 nan 0.000 0.530 403 K N 3.259 123.679 120.400 0.033 0.000 2.017 403 K HA -0.043 4.277 4.320 0.000 0.000 0.207 403 K C 0.427 177.032 176.600 0.009 0.000 1.035 403 K CA 0.629 56.924 56.287 0.013 0.000 0.947 403 K CB 0.066 32.573 32.500 0.012 0.000 0.749 403 K HN 0.468 nan 8.250 nan 0.000 0.443 404 D N 1.395 121.799 120.400 0.007 0.000 2.517 404 D HA 0.022 4.662 4.640 0.000 0.000 0.220 404 D C 0.751 177.056 176.300 0.009 0.000 1.158 404 D CA 0.051 54.053 54.000 0.003 0.000 0.992 404 D CB 0.428 41.225 40.800 -0.004 0.000 1.058 404 D HN 0.072 nan 8.370 nan 0.000 0.516 405 R N 2.437 122.946 120.500 0.015 0.000 2.115 405 R HA -0.123 4.217 4.340 0.000 0.000 0.230 405 R C 1.673 177.987 176.300 0.022 0.000 1.111 405 R CA 1.222 57.335 56.100 0.022 0.000 0.976 405 R CB 0.179 30.492 30.300 0.023 0.000 0.870 405 R HN 0.379 nan 8.270 nan 0.000 0.445 406 E N -0.358 119.851 120.200 0.016 0.000 2.158 406 E HA -0.107 4.243 4.350 0.000 0.000 0.191 406 E C 1.675 178.284 176.600 0.015 0.000 0.982 406 E CA 0.812 57.221 56.400 0.016 0.000 0.823 406 E CB -0.008 29.699 29.700 0.012 0.000 0.766 406 E HN 0.474 nan 8.360 nan 0.000 0.468 407 A N 0.430 123.255 122.820 0.009 0.000 1.972 407 A HA -0.122 4.198 4.320 0.000 0.000 0.219 407 A C 2.290 179.881 177.584 0.012 0.000 1.169 407 A CA 1.281 53.320 52.037 0.004 0.000 0.635 407 A CB -0.424 18.571 19.000 -0.008 0.000 0.810 407 A HN 0.216 nan 8.150 nan 0.000 0.446 408 V N -0.166 119.760 119.914 0.020 0.000 2.379 408 V HA -0.224 3.896 4.120 0.000 0.000 0.245 408 V C 2.449 178.573 176.094 0.049 0.000 1.044 408 V CA 2.063 64.386 62.300 0.038 0.000 1.036 408 V CB -0.708 31.144 31.823 0.047 0.000 0.664 408 V HN 0.768 nan 8.190 nan 0.000 0.453 409 E N 0.638 120.863 120.200 0.042 0.000 2.077 409 E HA -0.259 4.091 4.350 0.000 0.000 0.193 409 E C 2.211 178.837 176.600 0.043 0.000 0.989 409 E CA 1.307 57.734 56.400 0.045 0.000 0.800 409 E CB -0.052 29.671 29.700 0.038 0.000 0.746 409 E HN 0.571 nan 8.360 nan 0.000 0.452 410 K N 0.084 120.504 120.400 0.033 0.000 2.152 410 K HA -0.143 4.177 4.320 0.000 0.000 0.206 410 K C 2.152 178.773 176.600 0.036 0.000 1.048 410 K CA 1.119 57.424 56.287 0.029 0.000 0.933 410 K CB -0.056 32.455 32.500 0.020 0.000 0.721 410 K HN 0.283 nan 8.250 nan 0.000 0.447 411 L N 0.259 121.509 121.223 0.045 0.000 2.209 411 L HA -0.068 4.272 4.340 0.000 0.000 0.207 411 L C 2.668 179.578 176.870 0.068 0.000 1.094 411 L CA 0.713 55.588 54.840 0.057 0.000 0.790 411 L CB -0.245 41.858 42.059 0.074 0.000 0.932 411 L HN 0.245 nan 8.230 nan 0.000 0.447 412 Q N 0.805 120.648 119.800 0.072 0.000 2.187 412 Q HA -0.166 4.174 4.340 0.000 0.000 0.199 412 Q C 1.972 178.019 176.000 0.077 0.000 0.957 412 Q CA 1.221 57.072 55.803 0.081 0.000 0.857 412 Q CB 0.230 29.019 28.738 0.084 0.000 0.929 412 Q HN 0.637 nan 8.270 nan 0.000 0.453 413 E N 0.794 121.032 120.200 0.065 0.000 2.110 413 E HA -0.129 4.221 4.350 0.000 0.000 0.193 413 E C -0.887 175.744 176.600 0.052 0.000 0.988 413 E CA 0.745 57.182 56.400 0.061 0.000 0.804 413 E CB -1.217 28.512 29.700 0.048 0.000 0.745 413 E HN 0.419 nan 8.360 nan 0.000 0.458 414 P HA -0.111 nan 4.420 nan 0.000 0.220 414 P C 1.604 178.929 177.300 0.041 0.000 1.148 414 P CA 1.017 64.136 63.100 0.032 0.000 0.803 414 P CB -0.044 31.673 31.700 0.027 0.000 0.782 415 L N -1.260 120.000 121.223 0.061 0.000 2.131 415 L HA -0.046 4.295 4.340 0.000 0.000 0.206 415 L C 2.776 179.702 176.870 0.093 0.000 1.087 415 L CA 0.806 55.691 54.840 0.076 0.000 0.767 415 L CB -0.888 41.225 42.059 0.090 0.000 0.917 415 L HN -0.124 nan 8.230 nan 0.000 0.441 416 L N -0.205 121.085 121.223 0.112 0.000 2.042 416 L HA -0.252 4.088 4.340 0.000 0.000 0.210 416 L C 2.164 179.071 176.870 0.061 0.000 1.076 416 L CA 1.197 56.139 54.840 0.171 0.000 0.749 416 L CB -0.608 41.573 42.059 0.204 0.000 0.893 416 L HN 0.261 nan 8.230 nan 0.000 0.432 417 D N -0.380 120.027 120.400 0.012 0.000 2.092 417 D HA -0.175 4.465 4.640 0.000 0.000 0.193 417 D C 2.279 178.540 176.300 -0.065 0.000 0.994 417 D CA 1.286 55.254 54.000 -0.053 0.000 0.828 417 D CB -0.352 40.432 40.800 -0.026 0.000 0.963 417 D HN 0.054 nan 8.370 nan 0.000 0.450 418 V N 0.705 120.611 119.914 -0.014 0.000 2.295 418 V HA -0.210 3.910 4.120 0.000 0.000 0.246 418 V C 2.418 178.515 176.094 0.006 0.000 1.049 418 V CA 1.192 63.490 62.300 -0.004 0.000 1.024 418 V CB -0.565 31.269 31.823 0.019 0.000 0.648 418 V HN 0.161 nan 8.190 nan 0.000 0.447 419 L N 0.284 121.536 121.223 0.049 0.000 2.042 419 L HA -0.235 4.105 4.340 0.000 0.000 0.210 419 L C 2.507 179.396 176.870 0.032 0.000 1.076 419 L CA 2.514 57.423 54.840 0.115 0.000 0.749 419 L CB -0.906 41.306 42.059 0.256 0.000 0.893 419 L HN 0.473 nan 8.230 nan 0.000 0.432 420 Q N -0.183 119.452 119.800 -0.274 0.000 2.030 420 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 420 Q C 2.190 178.028 176.000 -0.270 0.000 0.986 420 Q CA 2.331 57.712 55.803 -0.704 0.000 0.843 420 Q CB -0.169 28.060 28.738 -0.849 0.000 0.904 420 Q HN 0.527 nan 8.270 nan 0.000 0.420 421 K N -0.118 120.190 120.400 -0.153 0.000 2.097 421 K HA -0.108 4.212 4.320 0.000 0.000 0.206 421 K C 2.187 178.785 176.600 -0.004 0.000 1.049 421 K CA 1.353 57.596 56.287 -0.073 0.000 0.933 421 K CB -0.218 32.249 32.500 -0.054 0.000 0.717 421 K HN 0.272 nan 8.250 nan 0.000 0.442 422 L N 0.627 121.880 121.223 0.049 0.000 2.042 422 L HA -0.267 4.073 4.340 0.000 0.000 0.210 422 L C 2.633 179.635 176.870 0.220 0.000 1.076 422 L CA 1.053 55.997 54.840 0.174 0.000 0.749 422 L CB -0.585 41.568 42.059 0.157 0.000 0.893 422 L HN 0.328 nan 8.230 nan 0.000 0.432 423 C N -0.048 119.352 119.300 0.165 0.000 2.413 423 C HA -0.175 4.285 4.460 0.000 0.000 0.277 423 C C 2.562 177.613 174.990 0.101 0.000 1.265 423 C CA 0.812 59.958 59.018 0.212 0.000 1.752 423 C CB -0.790 27.166 27.740 0.360 0.000 1.998 423 C HN 0.402 nan 8.230 nan 0.000 0.489 424 K N 0.131 120.557 120.400 0.044 0.000 2.525 424 K HA 0.092 4.413 4.320 0.000 0.000 0.192 424 K C 1.416 177.998 176.600 -0.029 0.000 1.029 424 K CA 0.530 56.819 56.287 0.003 0.000 1.029 424 K CB 0.076 32.562 32.500 -0.023 0.000 0.814 424 K HN 0.436 nan 8.250 nan 0.000 0.503 425 I N -0.674 119.872 120.570 -0.040 0.000 2.899 425 I HA -0.033 4.137 4.170 0.000 0.000 0.257 425 I C 1.400 177.386 176.117 -0.218 0.000 1.115 425 I CA 1.213 62.419 61.300 -0.158 0.000 1.451 425 I CB -0.751 37.090 38.000 -0.265 0.000 1.251 425 I HN 0.144 nan 8.210 nan 0.000 0.456 426 H N 0.637 119.674 119.070 -0.055 0.000 2.535 426 H HA 0.158 4.715 4.556 0.000 0.000 0.273 426 H C 0.386 175.637 175.328 -0.127 0.000 0.983 426 H CA 0.635 56.638 56.048 -0.075 0.000 1.238 426 H CB 0.231 29.951 29.762 -0.070 0.000 1.412 426 H HN 0.212 nan 8.280 nan 0.000 0.562 427 Q N 0.777 120.541 119.800 -0.060 0.000 2.928 427 Q HA 0.131 4.471 4.340 0.000 0.000 0.353 427 Q C -2.065 173.899 176.000 -0.059 0.000 0.870 427 Q CA -1.278 54.445 55.803 -0.133 0.000 0.963 427 Q CB 1.684 30.187 28.738 -0.391 0.000 1.419 427 Q HN 0.401 nan 8.270 nan 0.000 0.396 428 P HA -0.132 nan 4.420 nan 0.000 0.221 428 P C 0.810 178.105 177.300 -0.009 0.000 1.150 428 P CA 1.071 64.156 63.100 -0.025 0.000 0.800 428 P CB 0.586 32.266 31.700 -0.033 0.000 0.787 429 E N 0.241 120.435 120.200 -0.010 0.000 2.046 429 E HA -0.092 4.258 4.350 0.000 0.000 0.190 429 E C 0.952 177.562 176.600 0.017 0.000 0.982 429 E CA 0.767 57.169 56.400 0.002 0.000 0.800 429 E CB -1.047 28.653 29.700 0.001 0.000 0.756 429 E HN 0.233 nan 8.360 nan 0.000 0.449 430 N N 2.139 120.853 118.700 0.023 0.000 2.437 430 N HA 0.049 4.789 4.740 0.000 0.000 0.243 430 N C -2.153 173.408 175.510 0.084 0.000 1.041 430 N CA -1.871 51.214 53.050 0.057 0.000 0.940 430 N CB 1.131 39.667 38.487 0.080 0.000 1.133 430 N HN -0.200 nan 8.380 nan 0.000 0.506 431 P HA 0.090 nan 4.420 nan 0.000 0.257 431 P C -0.187 177.177 177.300 0.108 0.000 1.325 431 P CA 0.607 63.756 63.100 0.082 0.000 0.850 431 P CB 0.323 32.055 31.700 0.054 0.000 1.324 432 Q N -1.973 117.899 119.800 0.120 0.000 2.194 432 Q HA 0.067 4.407 4.340 0.000 0.000 0.214 432 Q C 1.601 177.678 176.000 0.130 0.000 0.838 432 Q CA -0.258 55.611 55.803 0.109 0.000 0.972 432 Q CB -0.135 28.646 28.738 0.071 0.000 1.131 432 Q HN 0.407 nan 8.270 nan 0.000 0.498 433 H N 0.158 119.277 119.070 0.081 0.000 2.387 433 H HA -0.137 4.419 4.556 0.000 0.000 0.299 433 H C 1.478 176.867 175.328 0.103 0.000 1.090 433 H CA 1.315 57.408 56.048 0.075 0.000 1.332 433 H CB 0.148 29.955 29.762 0.076 0.000 1.386 433 H HN 0.297 nan 8.280 nan 0.000 0.516 434 F N 1.255 121.230 119.950 0.042 0.000 2.186 434 F HA -0.021 4.506 4.527 0.000 0.000 0.299 434 F C 2.539 178.312 175.800 -0.044 0.000 1.090 434 F CA 1.233 59.229 58.000 -0.007 0.000 1.307 434 F CB -0.553 38.473 39.000 0.043 0.000 1.019 434 F HN 0.176 nan 8.300 nan 0.000 0.489 435 A N -0.898 121.873 122.820 -0.082 0.000 1.969 435 A HA -0.154 4.166 4.320 0.000 0.000 0.218 435 A C 2.307 179.776 177.584 -0.192 0.000 1.169 435 A CA 1.530 53.471 52.037 -0.161 0.000 0.635 435 A CB -1.642 17.345 19.000 -0.022 0.000 0.810 435 A HN 0.531 nan 8.150 nan 0.000 0.445 436 C N -0.697 118.497 119.300 -0.177 0.000 2.440 436 C HA -0.012 4.449 4.460 0.000 0.000 0.278 436 C C 2.594 177.448 174.990 -0.227 0.000 1.295 436 C CA 0.855 59.765 59.018 -0.180 0.000 1.738 436 C CB -1.381 26.247 27.740 -0.187 0.000 1.987 436 C HN 0.625 nan 8.230 nan 0.000 0.492 437 L N 0.216 121.242 121.223 -0.328 0.000 2.056 437 L HA -0.124 4.216 4.340 0.000 0.000 0.207 437 L C 2.473 179.199 176.870 -0.240 0.000 1.078 437 L CA 1.369 56.036 54.840 -0.288 0.000 0.749 437 L CB -0.634 41.243 42.059 -0.302 0.000 0.901 437 L HN 0.378 nan 8.230 nan 0.000 0.433 438 L N -0.452 120.559 121.223 -0.353 0.000 2.201 438 L HA -0.084 4.256 4.340 0.000 0.000 0.212 438 L C 2.623 179.414 176.870 -0.132 0.000 1.105 438 L CA 1.071 55.749 54.840 -0.269 0.000 0.775 438 L CB -1.005 40.833 42.059 -0.368 0.000 0.913 438 L HN 0.302 nan 8.230 nan 0.000 0.440 439 G N -0.287 108.444 108.800 -0.116 0.000 2.422 439 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 439 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 439 G C 1.661 176.568 174.900 0.011 0.000 1.140 439 G CA 0.061 45.133 45.100 -0.047 0.000 0.775 439 G HN 0.143 nan 8.290 nan 0.000 0.545 440 R N -0.104 120.412 120.500 0.027 0.000 2.127 440 R HA 0.020 4.360 4.340 0.000 0.000 0.238 440 R C 2.360 178.765 176.300 0.175 0.000 1.134 440 R CA 0.465 56.664 56.100 0.166 0.000 0.975 440 R CB -0.999 29.386 30.300 0.142 0.000 0.865 440 R HN 0.338 nan 8.270 nan 0.000 0.447 441 L N 0.161 121.428 121.223 0.073 0.000 2.201 441 L HA -0.058 4.282 4.340 0.000 0.000 0.212 441 L C 2.097 178.978 176.870 0.018 0.000 1.105 441 L CA 1.636 56.508 54.840 0.053 0.000 0.775 441 L CB -0.793 41.280 42.059 0.024 0.000 0.913 441 L HN 0.113 nan 8.230 nan 0.000 0.440 442 T N -1.266 113.294 114.554 0.009 0.000 2.896 442 T HA -0.097 4.253 4.350 0.000 0.000 0.263 442 T C 1.701 176.374 174.700 -0.046 0.000 1.050 442 T CA 1.009 63.099 62.100 -0.016 0.000 1.140 442 T CB -0.007 68.855 68.868 -0.010 0.000 0.877 442 T HN 0.409 nan 8.240 nan 0.000 0.457 443 E N 0.940 121.140 120.200 0.000 0.000 2.107 443 E HA 0.044 4.394 4.350 0.000 0.000 0.191 443 E C 2.130 178.640 176.600 -0.150 0.000 0.982 443 E CA 0.558 56.936 56.400 -0.035 0.000 0.809 443 E CB -0.222 29.573 29.700 0.158 0.000 0.756 443 E HN 0.375 nan 8.360 nan 0.000 0.459 444 L N 0.708 121.878 121.223 -0.089 0.000 2.083 444 L HA -0.185 4.155 4.340 0.000 0.000 0.209 444 L C 2.444 179.219 176.870 -0.159 0.000 1.083 444 L CA 1.176 55.937 54.840 -0.132 0.000 0.752 444 L CB -0.221 41.824 42.059 -0.023 0.000 0.899 444 L HN 0.060 nan 8.230 nan 0.000 0.433 445 R N -0.689 119.691 120.500 -0.200 0.000 2.189 445 R HA -0.132 4.208 4.340 0.000 0.000 0.223 445 R C 2.320 178.166 176.300 -0.758 0.000 1.092 445 R CA 1.674 57.573 56.100 -0.334 0.000 0.989 445 R CB -0.458 29.716 30.300 -0.210 0.000 0.876 445 R HN 0.535 nan 8.270 nan 0.000 0.457 446 T N -1.748 112.424 114.554 -0.638 0.000 2.857 446 T HA -0.068 4.282 4.350 0.000 0.000 0.266 446 T C 1.634 175.932 174.700 -0.670 0.000 1.048 446 T CA 0.792 62.453 62.100 -0.732 0.000 1.139 446 T CB -0.279 68.288 68.868 -0.502 0.000 0.874 446 T HN 0.043 nan 8.240 nan 0.000 0.455 447 F N 2.493 122.120 119.950 -0.539 0.000 2.171 447 F HA 0.082 4.609 4.527 0.000 0.000 0.300 447 F C 2.596 178.161 175.800 -0.391 0.000 1.090 447 F CA 0.884 58.543 58.000 -0.569 0.000 1.293 447 F CB -0.860 37.490 39.000 -1.084 0.000 1.013 447 F HN 0.200 nan 8.300 nan 0.000 0.486 448 N N -0.235 118.326 118.700 -0.231 0.000 2.205 448 N HA -0.189 4.551 4.740 0.000 0.000 0.186 448 N C 1.664 177.126 175.510 -0.079 0.000 1.015 448 N CA 1.574 54.527 53.050 -0.161 0.000 0.862 448 N CB -0.360 38.031 38.487 -0.161 0.000 0.986 448 N HN 0.449 nan 8.380 nan 0.000 0.429 449 H N -2.062 116.869 119.070 -0.231 0.000 2.326 449 H HA 0.001 4.557 4.556 0.000 0.000 0.301 449 H C 0.689 175.833 175.328 -0.307 0.000 1.081 449 H CA 1.179 57.019 56.048 -0.347 0.000 1.334 449 H CB 0.051 29.446 29.762 -0.613 0.000 1.385 449 H HN 0.387 nan 8.280 nan 0.000 0.504 450 H N -0.670 118.448 119.070 0.081 0.000 2.505 450 H HA 0.023 4.579 4.556 0.000 0.000 0.289 450 H C 1.463 176.743 175.328 -0.080 0.000 1.052 450 H CA 0.068 56.129 56.048 0.022 0.000 1.156 450 H CB -0.021 29.793 29.762 0.086 0.000 1.507 450 H HN 0.550 nan 8.280 nan 0.000 0.548 451 H N 0.846 119.876 119.070 -0.066 0.000 2.353 451 H HA -0.070 4.486 4.556 0.000 0.000 0.300 451 H C 1.952 177.181 175.328 -0.164 0.000 1.090 451 H CA 1.161 57.127 56.048 -0.136 0.000 1.327 451 H CB 0.536 30.183 29.762 -0.192 0.000 1.383 451 H HN 0.399 nan 8.280 nan 0.000 0.508 452 A N 1.158 123.927 122.820 -0.084 0.000 1.865 452 A HA -0.193 4.127 4.320 0.000 0.000 0.217 452 A C 2.302 179.822 177.584 -0.107 0.000 1.191 452 A CA 1.751 53.730 52.037 -0.097 0.000 0.623 452 A CB -0.573 18.410 19.000 -0.028 0.000 0.826 452 A HN 0.553 nan 8.150 nan 0.000 0.444 453 E N -1.077 119.071 120.200 -0.086 0.000 2.085 453 E HA -0.249 4.101 4.350 0.000 0.000 0.194 453 E C 2.045 178.485 176.600 -0.267 0.000 0.994 453 E CA 1.532 57.878 56.400 -0.090 0.000 0.801 453 E CB -0.270 29.444 29.700 0.024 0.000 0.743 453 E HN 0.745 nan 8.360 nan 0.000 0.453 454 M N 0.492 119.747 119.600 -0.575 0.000 2.213 454 M HA -0.165 4.315 4.480 0.000 0.000 0.263 454 M C 1.769 177.961 176.300 -0.179 0.000 1.062 454 M CA 1.395 56.244 55.300 -0.751 0.000 1.105 454 M CB 0.146 32.315 32.600 -0.717 0.000 1.385 454 M HN 0.069 nan 8.290 nan 0.000 0.417 455 L N -0.640 120.510 121.223 -0.122 0.000 2.249 455 L HA -0.022 4.319 4.340 0.000 0.000 0.207 455 L C 1.882 178.946 176.870 0.323 0.000 1.090 455 L CA 0.292 55.246 54.840 0.189 0.000 0.802 455 L CB -0.262 41.872 42.059 0.125 0.000 0.947 455 L HN 0.334 nan 8.230 nan 0.000 0.453 456 M N -0.700 118.953 119.600 0.088 0.000 2.563 456 M HA 0.060 4.540 4.480 0.000 0.000 0.231 456 M C 1.566 177.844 176.300 -0.036 0.000 1.136 456 M CA 0.559 55.791 55.300 -0.113 0.000 1.026 456 M CB -0.674 31.846 32.600 -0.135 0.000 1.597 456 M HN 0.242 nan 8.290 nan 0.000 0.495 457 S N -2.094 113.688 115.700 0.136 0.000 2.650 457 S HA 0.083 4.553 4.470 0.000 0.000 0.240 457 S C -0.026 174.725 174.600 0.253 0.000 1.007 457 S CA -0.717 57.588 58.200 0.175 0.000 0.984 457 S CB 0.041 63.350 63.200 0.181 0.000 0.910 457 S HN 0.493 nan 8.310 nan 0.000 0.509 458 W N 3.502 124.913 121.300 0.186 0.000 2.216 458 W HA 0.320 4.980 4.660 0.000 0.000 0.326 458 W C -0.105 176.473 176.519 0.098 0.000 1.319 458 W CA -0.628 56.817 57.345 0.166 0.000 1.213 458 W CB 0.513 30.112 29.460 0.231 0.000 1.171 458 W HN 0.235 nan 8.180 nan 0.000 0.557 459 R N 4.305 124.894 120.500 0.148 0.000 3.641 459 R HA 0.194 4.534 4.340 0.000 0.000 0.189 459 R C -0.718 175.662 176.300 0.133 0.000 1.706 459 R CA -0.027 56.140 56.100 0.111 0.000 1.311 459 R CB -0.394 29.919 30.300 0.021 0.000 1.330 459 R HN 0.066 nan 8.270 nan 0.000 0.727 460 V N 1.107 121.026 119.914 0.010 0.000 2.971 460 V HA 0.076 4.196 4.120 0.000 0.000 0.309 460 V C 0.488 176.371 176.094 -0.350 0.000 1.130 460 V CA -0.897 61.270 62.300 -0.220 0.000 0.964 460 V CB 2.514 34.037 31.823 -0.501 0.000 1.029 460 V HN 0.424 nan 8.190 nan 0.000 0.427 461 N N 1.050 119.591 118.700 -0.265 0.000 2.047 461 N HA -0.085 4.655 4.740 0.000 0.000 0.193 461 N C 0.267 175.614 175.510 -0.271 0.000 1.055 461 N CA 1.440 54.375 53.050 -0.192 0.000 0.847 461 N CB 0.085 38.504 38.487 -0.114 0.000 1.038 461 N HN 0.811 nan 8.380 nan 0.000 0.427 462 D N -0.499 119.703 120.400 -0.329 0.000 2.233 462 D HA 0.148 4.788 4.640 0.000 0.000 0.240 462 D C -1.278 174.705 176.300 -0.529 0.000 1.074 462 D CA -0.464 53.373 54.000 -0.272 0.000 0.838 462 D CB 0.426 41.141 40.800 -0.143 0.000 1.124 462 D HN 0.219 nan 8.370 nan 0.000 0.475 463 H N 2.546 121.437 119.070 -0.298 0.000 2.726 463 H HA 0.233 4.789 4.556 0.000 0.000 0.244 463 H C -0.163 175.001 175.328 -0.274 0.000 1.669 463 H CA -0.384 55.386 56.048 -0.463 0.000 1.293 463 H CB 0.178 29.836 29.762 -0.172 0.000 1.640 463 H HN 0.067 nan 8.280 nan 0.000 0.553 464 K N 2.975 123.262 120.400 -0.188 0.000 2.234 464 K HA 0.302 4.622 4.320 0.000 0.000 0.277 464 K C -1.174 175.337 176.600 -0.149 0.000 1.038 464 K CA -0.493 55.763 56.287 -0.052 0.000 0.888 464 K CB 0.465 32.954 32.500 -0.019 0.000 1.091 464 K HN 0.187 nan 8.250 nan 0.000 0.467 465 F N 0.904 120.936 119.950 0.138 0.000 2.497 465 F HA 0.267 4.794 4.527 0.000 0.000 0.331 465 F C 1.016 176.798 175.800 -0.029 0.000 1.060 465 F CA -0.762 57.264 58.000 0.043 0.000 0.989 465 F CB 1.356 40.389 39.000 0.056 0.000 1.245 465 F HN 0.471 nan 8.300 nan 0.000 0.486 466 T N -1.453 113.154 114.554 0.089 0.000 2.898 466 T HA 0.193 4.543 4.350 0.000 0.000 0.301 466 T C -2.059 172.637 174.700 -0.006 0.000 1.049 466 T CA -1.467 60.631 62.100 -0.004 0.000 1.095 466 T CB 1.144 69.965 68.868 -0.079 0.000 0.976 466 T HN 0.271 nan 8.240 nan 0.000 0.539 467 P HA -0.087 nan 4.420 nan 0.000 0.216 467 P C 1.583 178.845 177.300 -0.063 0.000 1.150 467 P CA 0.374 63.460 63.100 -0.025 0.000 0.843 467 P CB -0.033 31.653 31.700 -0.024 0.000 0.787 468 L N -1.077 120.088 121.223 -0.097 0.000 2.056 468 L HA -0.080 4.261 4.340 0.000 0.000 0.207 468 L C 2.130 178.873 176.870 -0.212 0.000 1.078 468 L CA 1.650 56.409 54.840 -0.135 0.000 0.749 468 L CB -1.333 40.641 42.059 -0.142 0.000 0.901 468 L HN -0.119 nan 8.230 nan 0.000 0.433 469 L N -1.480 119.572 121.223 -0.285 0.000 2.191 469 L HA -0.265 4.075 4.340 0.000 0.000 0.212 469 L C 2.495 179.169 176.870 -0.327 0.000 1.103 469 L CA 1.043 55.575 54.840 -0.513 0.000 0.769 469 L CB -0.661 41.053 42.059 -0.574 0.000 0.908 469 L HN 0.388 nan 8.230 nan 0.000 0.438 470 C N -0.298 118.908 119.300 -0.156 0.000 2.432 470 C HA -0.097 4.363 4.460 0.000 0.000 0.280 470 C C 2.512 177.465 174.990 -0.061 0.000 1.353 470 C CA 0.399 59.366 59.018 -0.085 0.000 1.766 470 C CB -0.703 27.021 27.740 -0.026 0.000 1.924 470 C HN 0.500 nan 8.230 nan 0.000 0.509 471 E N 0.207 120.360 120.200 -0.079 0.000 2.285 471 E HA -0.066 4.284 4.350 0.000 0.000 0.194 471 E C 1.446 178.022 176.600 -0.040 0.000 0.997 471 E CA 0.923 57.290 56.400 -0.055 0.000 0.845 471 E CB 0.063 29.728 29.700 -0.059 0.000 0.782 471 E HN 0.591 nan 8.360 nan 0.000 0.491 472 I N -1.386 119.145 120.570 -0.065 0.000 3.526 472 I HA -0.032 4.138 4.170 0.000 0.000 0.294 472 I C 1.061 177.348 176.117 0.283 0.000 1.229 472 I CA 0.448 61.758 61.300 0.017 0.000 1.408 472 I CB 0.316 38.246 38.000 -0.115 0.000 1.127 472 I HN 0.140 nan 8.210 nan 0.000 0.439 473 W N 0.167 121.419 121.300 -0.079 0.000 2.975 473 W HA 0.275 4.935 4.660 0.000 0.000 0.316 473 W C -0.092 176.363 176.519 -0.107 0.000 1.131 473 W CA -0.472 56.825 57.345 -0.080 0.000 1.624 473 W CB -0.219 29.167 29.460 -0.123 0.000 1.038 473 W HN 0.002 nan 8.180 nan 0.000 0.571 474 D N 0.442 120.896 120.400 0.091 0.000 2.705 474 D HA -0.122 4.518 4.640 0.000 0.000 0.240 474 D C -0.190 176.092 176.300 -0.030 0.000 1.137 474 D CA 1.097 55.106 54.000 0.016 0.000 0.677 474 D CB -1.755 39.055 40.800 0.018 0.000 1.049 474 D HN 0.111 nan 8.370 nan 0.000 0.427 475 V N -3.952 115.898 119.914 -0.107 0.000 3.046 475 V HA 0.745 4.865 4.120 0.000 0.000 0.316 475 V C 0.800 176.861 176.094 -0.054 0.000 1.104 475 V CA -0.887 61.293 62.300 -0.200 0.000 1.006 475 V CB 1.990 33.352 31.823 -0.767 0.000 1.058 475 V HN 0.365 nan 8.190 nan 0.000 0.440 476 Q N 0.000 119.849 119.800 0.081 0.000 2.315 476 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 476 Q CA 0.000 55.893 55.803 0.150 0.000 1.022 476 Q CB 0.000 28.887 28.738 0.248 0.000 1.108 476 Q HN 0.000 nan 8.270 nan 0.000 0.481