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 1osv_1_A DATA FIRST_RESID 240 DATA SEQUENCE AELTVDQQTL LDYIMDSYSK QRMPQEITNK ILKEEFSAEE NFLILTEMAT DATA SEQUENCE SHVQILVEFT KRLPGFQTLD HEDQIALLKG SAVEAMFLRS AEIFNKKLPA DATA SEQUENCE GHADLLEERI RKSGISDEYI TPMFSFYKSV GELKMTQEEY ALLTAIVILS DATA SEQUENCE PDRQYIKDRE AVEKLQEPLL DVLQKLCKIY QPENPQHFAC LLGRLTELRT DATA SEQUENCE FNHHHAEMLM SWRVNDHKFT PLLCEIWDV 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 240 A HA 0.000 nan 4.320 nan 0.000 0.244 240 A C 0.000 177.539 177.584 -0.075 0.000 1.274 240 A CA 0.000 51.987 52.037 -0.083 0.000 0.836 240 A CB 0.000 18.950 19.000 -0.083 0.000 0.831 241 E N 0.403 120.556 120.200 -0.079 0.000 4.521 241 E HA 0.625 4.977 4.350 0.004 0.000 0.562 241 E C -0.014 176.545 176.600 -0.069 0.000 1.127 241 E CA 0.197 56.557 56.400 -0.066 0.000 3.733 241 E CB 0.123 29.784 29.700 -0.066 0.000 1.950 241 E HN 1.449 nan 8.360 nan 0.000 0.434 242 L N -0.013 121.172 121.223 -0.063 0.000 1.545 242 L HA -0.108 4.234 4.340 0.004 0.000 0.629 242 L C -0.170 176.679 176.870 -0.036 0.000 1.008 242 L CA 0.574 55.381 54.840 -0.055 0.000 1.322 242 L CB -2.029 39.992 42.059 -0.063 0.000 2.157 242 L HN 0.730 nan 8.230 nan 0.000 1.048 243 T N -0.508 114.028 114.554 -0.031 0.000 2.701 243 T HA 0.448 4.801 4.350 0.004 0.000 0.303 243 T C 1.702 176.394 174.700 -0.014 0.000 1.030 243 T CA 0.095 62.182 62.100 -0.022 0.000 1.010 243 T CB 0.747 69.602 68.868 -0.021 0.000 1.007 243 T HN 1.312 nan 8.240 nan 0.000 0.532 244 V N -1.041 118.867 119.914 -0.010 0.000 2.379 244 V HA -0.041 4.081 4.120 0.004 0.000 0.245 244 V C 2.113 178.206 176.094 -0.002 0.000 1.044 244 V CA 1.711 64.009 62.300 -0.003 0.000 1.036 244 V CB -1.129 30.693 31.823 -0.002 0.000 0.664 244 V HN 0.763 nan 8.190 nan 0.000 0.453 245 D N 0.544 120.940 120.400 -0.007 0.000 2.123 245 D HA -0.178 4.465 4.640 0.004 0.000 0.196 245 D C 2.406 178.702 176.300 -0.005 0.000 0.992 245 D CA 1.939 55.934 54.000 -0.009 0.000 0.833 245 D CB -0.292 40.500 40.800 -0.014 0.000 0.954 245 D HN 0.641 nan 8.370 nan 0.000 0.455 246 Q N -0.150 119.647 119.800 -0.005 0.000 2.083 246 Q HA -0.158 4.184 4.340 0.004 0.000 0.198 246 Q C 2.125 178.133 176.000 0.014 0.000 0.969 246 Q CA 0.958 56.761 55.803 -0.000 0.000 0.838 246 Q CB -0.080 28.651 28.738 -0.012 0.000 0.900 246 Q HN 0.142 nan 8.270 nan 0.000 0.436 247 Q N 0.384 120.191 119.800 0.012 0.000 2.119 247 Q HA -0.112 4.231 4.340 0.004 0.000 0.201 247 Q C 1.812 177.838 176.000 0.043 0.000 0.972 247 Q CA 1.840 57.658 55.803 0.025 0.000 0.847 247 Q CB -0.152 28.596 28.738 0.016 0.000 0.903 247 Q HN 0.275 nan 8.270 nan 0.000 0.433 248 T N 0.761 115.336 114.554 0.036 0.000 2.708 248 T HA -0.139 4.213 4.350 0.004 0.000 0.266 248 T C 1.572 176.318 174.700 0.076 0.000 1.037 248 T CA 1.209 63.339 62.100 0.051 0.000 1.146 248 T CB -0.403 68.480 68.868 0.024 0.000 0.865 248 T HN 0.243 nan 8.240 nan 0.000 0.435 249 L N 1.169 122.418 121.223 0.043 0.000 1.989 249 L HA -0.012 4.331 4.340 0.004 0.000 0.211 249 L C 2.230 179.171 176.870 0.119 0.000 1.071 249 L CA 1.525 56.395 54.840 0.051 0.000 0.749 249 L CB -0.962 41.108 42.059 0.019 0.000 0.890 249 L HN 0.169 nan 8.230 nan 0.000 0.431 250 L N -0.292 120.986 121.223 0.093 0.000 2.013 250 L HA -0.255 4.087 4.340 0.004 0.000 0.212 250 L C 2.127 179.070 176.870 0.123 0.000 1.073 250 L CA 2.079 56.981 54.840 0.103 0.000 0.753 250 L CB -1.172 40.935 42.059 0.081 0.000 0.890 250 L HN 0.372 nan 8.230 nan 0.000 0.432 251 D N -1.739 118.732 120.400 0.118 0.000 2.117 251 D HA -0.253 4.390 4.640 0.004 0.000 0.197 251 D C 2.022 178.405 176.300 0.137 0.000 0.987 251 D CA 1.713 55.780 54.000 0.112 0.000 0.829 251 D CB -0.338 40.518 40.800 0.093 0.000 0.961 251 D HN 0.518 nan 8.370 nan 0.000 0.460 252 Y N 1.464 121.786 120.300 0.037 0.000 2.089 252 Y HA -0.218 4.335 4.550 0.004 0.000 0.282 252 Y C 2.294 178.219 175.900 0.043 0.000 1.139 252 Y CA 1.333 59.450 58.100 0.028 0.000 1.123 252 Y CB -0.182 38.284 38.460 0.010 0.000 0.980 252 Y HN -0.159 nan 8.280 nan 0.000 0.493 253 I N 0.055 120.818 120.570 0.321 0.000 2.151 253 I HA -0.362 3.810 4.170 0.004 0.000 0.243 253 I C 2.283 178.532 176.117 0.221 0.000 1.080 253 I CA 1.662 63.109 61.300 0.245 0.000 1.339 253 I CB -1.080 37.054 38.000 0.222 0.000 1.039 253 I HN 0.423 nan 8.210 nan 0.000 0.409 254 M N -0.037 119.663 119.600 0.167 0.000 2.108 254 M HA -0.229 4.254 4.480 0.004 0.000 0.261 254 M C 2.014 178.409 176.300 0.159 0.000 1.066 254 M CA 1.666 57.068 55.300 0.170 0.000 1.107 254 M CB -1.402 31.268 32.600 0.117 0.000 1.356 254 M HN 0.233 nan 8.290 nan 0.000 0.406 255 D N -0.105 120.330 120.400 0.058 0.000 2.087 255 D HA -0.156 4.487 4.640 0.004 0.000 0.192 255 D C 2.074 178.370 176.300 -0.008 0.000 0.993 255 D CA 2.153 56.146 54.000 -0.012 0.000 0.828 255 D CB -0.099 40.632 40.800 -0.115 0.000 0.968 255 D HN 0.239 nan 8.370 nan 0.000 0.448 256 S N -1.831 113.819 115.700 -0.083 0.000 2.402 256 S HA -0.250 4.222 4.470 0.004 0.000 0.233 256 S C 2.028 176.795 174.600 0.277 0.000 1.030 256 S CA 1.138 59.312 58.200 -0.043 0.000 1.003 256 S CB -0.774 62.278 63.200 -0.247 0.000 0.813 256 S HN 0.472 nan 8.310 nan 0.000 0.477 257 Y N 2.554 123.026 120.300 0.287 0.000 2.242 257 Y HA -0.014 4.538 4.550 0.004 0.000 0.291 257 Y C 2.273 178.212 175.900 0.066 0.000 1.137 257 Y CA 1.579 59.849 58.100 0.284 0.000 1.181 257 Y CB -0.333 38.244 38.460 0.195 0.000 0.989 257 Y HN 0.434 nan 8.280 nan 0.000 0.527 258 S N -1.292 114.439 115.700 0.052 0.000 2.573 258 S HA 0.217 4.690 4.470 0.004 0.000 0.244 258 S C 1.234 175.797 174.600 -0.062 0.000 0.984 258 S CA -0.531 57.626 58.200 -0.072 0.000 1.001 258 S CB 0.234 63.437 63.200 0.005 0.000 0.788 258 S HN 0.313 nan 8.310 nan 0.000 0.456 259 K N 1.195 121.567 120.400 -0.047 0.000 2.019 259 K HA 0.062 4.384 4.320 0.004 0.000 0.209 259 K C 2.144 178.706 176.600 -0.065 0.000 1.032 259 K CA 0.866 57.125 56.287 -0.047 0.000 0.947 259 K CB -0.156 32.323 32.500 -0.035 0.000 0.757 259 K HN 0.182 nan 8.250 nan 0.000 0.444 260 Q N 0.802 120.560 119.800 -0.071 0.000 1.967 260 Q HA -0.175 4.167 4.340 0.004 0.000 0.210 260 Q C 0.112 176.054 176.000 -0.098 0.000 1.005 260 Q CA 1.213 56.968 55.803 -0.080 0.000 0.862 260 Q CB -0.410 28.276 28.738 -0.086 0.000 0.939 260 Q HN 0.285 nan 8.270 nan 0.000 0.417 261 R N -0.833 119.584 120.500 -0.139 0.000 1.070 261 R HA -0.145 4.197 4.340 0.004 0.000 0.423 261 R C -0.530 175.706 176.300 -0.107 0.000 1.363 261 R CA 0.069 56.087 56.100 -0.136 0.000 1.323 261 R CB -0.145 30.092 30.300 -0.105 0.000 3.683 261 R HN 0.252 nan 8.270 nan 0.000 0.499 262 M N 4.262 123.801 119.600 -0.101 0.000 2.248 262 M HA 0.083 4.565 4.480 0.004 0.000 0.345 262 M C -1.727 174.541 176.300 -0.053 0.000 1.243 262 M CA -0.964 54.292 55.300 -0.073 0.000 1.090 262 M CB 0.022 32.586 32.600 -0.060 0.000 1.683 262 M HN 0.367 nan 8.290 nan 0.000 0.450 263 P HA -0.019 nan 4.420 nan 0.000 0.265 263 P C 0.548 177.830 177.300 -0.029 0.000 1.193 263 P CA -0.059 63.019 63.100 -0.038 0.000 0.765 263 P CB 0.463 32.140 31.700 -0.038 0.000 0.823 264 Q N 1.966 121.752 119.800 -0.023 0.000 2.181 264 Q HA -0.221 4.121 4.340 0.004 0.000 0.205 264 Q C 1.780 177.765 176.000 -0.024 0.000 0.980 264 Q CA 1.579 57.372 55.803 -0.017 0.000 0.862 264 Q CB -0.153 28.577 28.738 -0.013 0.000 0.905 264 Q HN 0.648 nan 8.270 nan 0.000 0.429 265 E N 0.565 120.749 120.200 -0.027 0.000 2.012 265 E HA -0.188 4.164 4.350 0.004 0.000 0.197 265 E C 2.065 178.645 176.600 -0.032 0.000 1.007 265 E CA 1.178 57.560 56.400 -0.029 0.000 0.816 265 E CB -0.141 29.542 29.700 -0.028 0.000 0.762 265 E HN 0.314 nan 8.360 nan 0.000 0.451 266 I N 0.837 121.388 120.570 -0.032 0.000 2.264 266 I HA -0.276 3.896 4.170 0.004 0.000 0.248 266 I C 2.504 178.604 176.117 -0.028 0.000 1.111 266 I CA 1.268 62.548 61.300 -0.033 0.000 1.382 266 I CB -0.590 37.388 38.000 -0.036 0.000 1.060 266 I HN 0.233 nan 8.210 nan 0.000 0.418 267 T N 1.664 116.205 114.554 -0.022 0.000 2.564 267 T HA -0.174 4.178 4.350 0.004 0.000 0.259 267 T C 1.485 176.159 174.700 -0.043 0.000 1.087 267 T CA 2.075 64.171 62.100 -0.006 0.000 1.184 267 T CB -0.626 68.255 68.868 0.021 0.000 0.864 267 T HN 0.498 nan 8.240 nan 0.000 0.403 268 N N 1.443 120.091 118.700 -0.087 0.000 2.651 268 N HA -0.092 4.650 4.740 0.004 0.000 0.193 268 N C 1.206 176.651 175.510 -0.109 0.000 1.149 268 N CA 0.752 53.699 53.050 -0.172 0.000 0.933 268 N CB -0.372 38.027 38.487 -0.147 0.000 0.974 268 N HN 0.354 nan 8.380 nan 0.000 0.448 269 K N 0.453 120.815 120.400 -0.063 0.000 2.515 269 K HA 0.027 4.350 4.320 0.004 0.000 0.196 269 K C 1.467 178.051 176.600 -0.028 0.000 1.038 269 K CA 0.769 57.032 56.287 -0.040 0.000 0.967 269 K CB -0.122 32.359 32.500 -0.032 0.000 0.780 269 K HN 0.616 nan 8.250 nan 0.000 0.483 270 I N -2.710 117.840 120.570 -0.034 0.000 3.462 270 I HA 0.014 4.187 4.170 0.004 0.000 0.290 270 I C 1.529 177.641 176.117 -0.009 0.000 1.236 270 I CA 0.023 61.319 61.300 -0.006 0.000 1.418 270 I CB 0.075 38.088 38.000 0.021 0.000 1.102 270 I HN -0.027 nan 8.210 nan 0.000 0.441 271 L N 1.942 123.123 121.223 -0.070 0.000 2.051 271 L HA 0.277 4.620 4.340 0.004 0.000 0.202 271 L C 1.159 178.015 176.870 -0.023 0.000 1.097 271 L CA 1.573 56.371 54.840 -0.070 0.000 0.762 271 L CB -0.524 41.417 42.059 -0.197 0.000 0.913 271 L HN 0.083 nan 8.230 nan 0.000 0.447 272 K N 0.371 120.747 120.400 -0.040 0.000 2.202 272 K HA 0.225 4.548 4.320 0.004 0.000 0.238 272 K C -0.074 176.532 176.600 0.009 0.000 1.070 272 K CA 0.139 56.419 56.287 -0.012 0.000 0.859 272 K CB -0.137 32.349 32.500 -0.023 0.000 1.140 272 K HN 0.337 nan 8.250 nan 0.000 0.515 273 E N -0.487 119.724 120.200 0.019 0.000 8.959 273 E HA -0.240 4.113 4.350 0.004 0.000 0.467 273 E C -1.309 175.332 176.600 0.069 0.000 1.281 273 E CA 0.890 57.310 56.400 0.034 0.000 2.226 273 E CB 0.054 29.767 29.700 0.021 0.000 1.018 273 E HN 0.549 nan 8.360 nan 0.000 0.296 274 E N 0.553 120.812 120.200 0.098 0.000 2.429 274 E HA 0.381 4.733 4.350 0.004 0.000 0.276 274 E C -0.150 176.602 176.600 0.254 0.000 0.953 274 E CA -0.743 55.767 56.400 0.184 0.000 0.787 274 E CB 0.552 30.346 29.700 0.155 0.000 1.307 274 E HN 0.306 nan 8.360 nan 0.000 0.458 275 F N 1.481 121.454 119.950 0.039 0.000 3.253 275 F HA -0.400 4.130 4.527 0.004 0.000 0.298 275 F C 0.798 176.635 175.800 0.062 0.000 1.423 275 F CA 1.967 59.997 58.000 0.051 0.000 1.218 275 F CB -1.129 37.898 39.000 0.045 0.000 0.746 275 F HN 0.538 nan 8.300 nan 0.000 0.694 276 S N -2.123 113.758 115.700 0.303 0.000 3.025 276 S HA 0.103 4.576 4.470 0.004 0.000 0.857 276 S C 0.342 175.027 174.600 0.140 0.000 0.978 276 S CA -0.004 58.307 58.200 0.184 0.000 1.339 276 S CB -1.046 62.240 63.200 0.143 0.000 0.955 276 S HN 1.200 nan 8.310 nan 0.000 0.248 277 A N 2.556 125.463 122.820 0.144 0.000 1.969 277 A HA -0.095 4.228 4.320 0.004 0.000 0.218 277 A C 1.931 179.637 177.584 0.205 0.000 1.169 277 A CA 1.661 53.790 52.037 0.154 0.000 0.635 277 A CB -0.451 18.635 19.000 0.142 0.000 0.810 277 A HN 1.004 nan 8.150 nan 0.000 0.445 278 E N -0.551 119.759 120.200 0.185 0.000 2.158 278 E HA -0.170 4.182 4.350 0.004 0.000 0.191 278 E C 1.732 178.419 176.600 0.146 0.000 0.982 278 E CA 1.212 57.748 56.400 0.228 0.000 0.823 278 E CB -0.222 29.677 29.700 0.332 0.000 0.766 278 E HN 0.461 nan 8.360 nan 0.000 0.468 279 E N 1.313 121.580 120.200 0.112 0.000 2.076 279 E HA -0.110 4.243 4.350 0.004 0.000 0.190 279 E C 1.787 178.426 176.600 0.065 0.000 0.979 279 E CA 1.217 57.652 56.400 0.059 0.000 0.807 279 E CB -0.125 29.614 29.700 0.065 0.000 0.761 279 E HN 0.220 nan 8.360 nan 0.000 0.454 280 N N 0.072 118.828 118.700 0.092 0.000 2.058 280 N HA -0.172 4.571 4.740 0.004 0.000 0.191 280 N C 1.730 177.314 175.510 0.123 0.000 1.037 280 N CA 1.314 54.410 53.050 0.077 0.000 0.848 280 N CB -0.700 37.820 38.487 0.056 0.000 1.021 280 N HN 0.248 nan 8.380 nan 0.000 0.422 281 F N 1.948 121.944 119.950 0.077 0.000 2.147 281 F HA -0.150 4.379 4.527 0.003 0.000 0.301 281 F C 2.062 177.840 175.800 -0.037 0.000 1.084 281 F CA 1.217 59.269 58.000 0.086 0.000 1.268 281 F CB -0.322 38.694 39.000 0.027 0.000 1.009 281 F HN -0.027 nan 8.300 nan 0.000 0.486 282 L N -0.412 120.789 121.223 -0.037 0.000 2.072 282 L HA -0.165 4.177 4.340 0.004 0.000 0.205 282 L C 2.478 179.235 176.870 -0.188 0.000 1.079 282 L CA 1.104 55.834 54.840 -0.182 0.000 0.752 282 L CB -0.567 41.427 42.059 -0.110 0.000 0.906 282 L HN 0.192 nan 8.230 nan 0.000 0.436 283 I N -0.635 119.876 120.570 -0.098 0.000 2.090 283 I HA -0.324 3.849 4.170 0.004 0.000 0.236 283 I C 2.383 178.455 176.117 -0.075 0.000 1.064 283 I CA 1.056 62.316 61.300 -0.067 0.000 1.324 283 I CB -0.295 37.693 38.000 -0.022 0.000 1.044 283 I HN 0.137 nan 8.210 nan 0.000 0.399 284 L N 0.281 121.477 121.223 -0.045 0.000 2.051 284 L HA -0.299 4.044 4.340 0.004 0.000 0.214 284 L C 2.666 179.508 176.870 -0.046 0.000 1.076 284 L CA 2.267 57.113 54.840 0.011 0.000 0.758 284 L CB -1.565 40.564 42.059 0.116 0.000 0.890 284 L HN 0.320 nan 8.230 nan 0.000 0.433 285 T N -1.916 112.501 114.554 -0.228 0.000 2.951 285 T HA -0.162 4.191 4.350 0.004 0.000 0.268 285 T C 1.866 176.436 174.700 -0.216 0.000 1.073 285 T CA 1.209 63.137 62.100 -0.287 0.000 1.134 285 T CB 0.067 68.557 68.868 -0.630 0.000 0.884 285 T HN 0.459 nan 8.240 nan 0.000 0.479 286 E N -0.072 120.023 120.200 -0.174 0.000 2.072 286 E HA -0.086 4.266 4.350 0.004 0.000 0.190 286 E C 2.184 178.726 176.600 -0.097 0.000 0.982 286 E CA 0.963 57.288 56.400 -0.126 0.000 0.803 286 E CB -0.118 29.522 29.700 -0.100 0.000 0.755 286 E HN 0.563 nan 8.360 nan 0.000 0.453 287 M N 0.462 120.019 119.600 -0.071 0.000 2.067 287 M HA -0.111 4.372 4.480 0.004 0.000 0.260 287 M C 2.588 178.867 176.300 -0.035 0.000 1.069 287 M CA 1.537 56.813 55.300 -0.041 0.000 1.117 287 M CB -0.362 32.227 32.600 -0.018 0.000 1.334 287 M HN 0.172 nan 8.290 nan 0.000 0.407 288 A N 0.264 123.053 122.820 -0.052 0.000 1.948 288 A HA -0.188 4.134 4.320 0.004 0.000 0.220 288 A C 2.212 179.708 177.584 -0.146 0.000 1.177 288 A CA 2.467 54.459 52.037 -0.076 0.000 0.636 288 A CB -1.352 17.581 19.000 -0.112 0.000 0.815 288 A HN 0.535 nan 8.150 nan 0.000 0.449 289 T N -0.815 113.621 114.554 -0.196 0.000 2.867 289 T HA -0.101 4.251 4.350 0.004 0.000 0.268 289 T C 2.216 176.854 174.700 -0.104 0.000 1.057 289 T CA 1.481 63.467 62.100 -0.191 0.000 1.136 289 T CB -0.258 68.506 68.868 -0.173 0.000 0.874 289 T HN 0.552 nan 8.240 nan 0.000 0.466 290 S N 0.601 116.259 115.700 -0.070 0.000 2.335 290 S HA -0.209 4.263 4.470 0.004 0.000 0.216 290 S C 2.021 176.601 174.600 -0.035 0.000 1.032 290 S CA 1.172 59.340 58.200 -0.053 0.000 1.000 290 S CB -0.683 62.489 63.200 -0.046 0.000 0.928 290 S HN 0.626 nan 8.310 nan 0.000 0.434 291 H N 1.028 120.037 119.070 -0.102 0.000 2.330 291 H HA -0.133 4.425 4.556 0.004 0.000 0.290 291 H C 2.103 177.377 175.328 -0.090 0.000 1.111 291 H CA 2.328 58.315 56.048 -0.101 0.000 1.226 291 H CB -0.771 28.938 29.762 -0.089 0.000 1.355 291 H HN 0.314 nan 8.280 nan 0.000 0.485 292 V N 1.219 121.185 119.914 0.087 0.000 2.332 292 V HA -0.303 3.819 4.120 0.004 0.000 0.248 292 V C 2.797 178.860 176.094 -0.052 0.000 1.055 292 V CA 2.310 64.629 62.300 0.031 0.000 1.038 292 V CB -0.614 31.193 31.823 -0.026 0.000 0.651 292 V HN 0.460 nan 8.190 nan 0.000 0.450 293 Q N -0.629 119.130 119.800 -0.068 0.000 2.050 293 Q HA -0.178 4.164 4.340 0.004 0.000 0.202 293 Q C 2.263 178.211 176.000 -0.086 0.000 0.980 293 Q CA 1.998 57.761 55.803 -0.067 0.000 0.840 293 Q CB -0.269 28.431 28.738 -0.063 0.000 0.898 293 Q HN 0.579 nan 8.270 nan 0.000 0.424 294 I N 0.375 120.865 120.570 -0.133 0.000 2.208 294 I HA -0.294 3.879 4.170 0.004 0.000 0.245 294 I C 2.328 178.354 176.117 -0.152 0.000 1.097 294 I CA 0.805 62.009 61.300 -0.160 0.000 1.363 294 I CB -0.205 37.647 38.000 -0.246 0.000 1.051 294 I HN 0.247 nan 8.210 nan 0.000 0.413 295 L N 0.377 121.467 121.223 -0.222 0.000 2.046 295 L HA -0.183 4.160 4.340 0.004 0.000 0.208 295 L C 2.352 179.208 176.870 -0.024 0.000 1.077 295 L CA 1.596 56.346 54.840 -0.150 0.000 0.747 295 L CB -0.201 41.767 42.059 -0.152 0.000 0.896 295 L HN -0.025 nan 8.230 nan 0.000 0.432 296 V N -0.437 119.452 119.914 -0.041 0.000 2.626 296 V HA -0.158 3.964 4.120 0.004 0.000 0.252 296 V C 2.537 178.604 176.094 -0.045 0.000 1.067 296 V CA 1.452 63.727 62.300 -0.041 0.000 1.081 296 V CB -0.746 31.063 31.823 -0.023 0.000 0.686 296 V HN 0.446 nan 8.190 nan 0.000 0.468 297 E N -0.194 119.994 120.200 -0.020 0.000 2.046 297 E HA -0.141 4.212 4.350 0.004 0.000 0.190 297 E C 1.973 178.574 176.600 0.002 0.000 0.982 297 E CA 1.103 57.495 56.400 -0.013 0.000 0.800 297 E CB -0.440 29.252 29.700 -0.014 0.000 0.756 297 E HN 0.610 nan 8.360 nan 0.000 0.449 298 F N 2.201 122.082 119.950 -0.115 0.000 2.069 298 F HA -0.265 4.265 4.527 0.004 0.000 0.298 298 F C 2.592 178.329 175.800 -0.105 0.000 1.113 298 F CA 2.485 60.433 58.000 -0.087 0.000 1.214 298 F CB -0.573 38.382 39.000 -0.075 0.000 0.978 298 F HN 0.074 nan 8.300 nan 0.000 0.474 299 T N -0.869 113.659 114.554 -0.043 0.000 3.007 299 T HA -0.169 4.183 4.350 0.004 0.000 0.270 299 T C 1.710 176.034 174.700 -0.626 0.000 1.107 299 T CA 1.265 63.130 62.100 -0.392 0.000 1.118 299 T CB -0.533 68.061 68.868 -0.457 0.000 0.889 299 T HN 0.480 nan 8.240 nan 0.000 0.506 300 K N 2.127 122.324 120.400 -0.337 0.000 2.288 300 K HA -0.029 4.294 4.320 0.004 0.000 0.201 300 K C 1.976 178.565 176.600 -0.019 0.000 1.048 300 K CA 0.883 57.092 56.287 -0.130 0.000 0.956 300 K CB -0.337 32.155 32.500 -0.014 0.000 0.746 300 K HN 0.587 nan 8.250 nan 0.000 0.461 301 R N 0.383 120.824 120.500 -0.098 0.000 2.696 301 R HA 0.305 4.648 4.340 0.004 0.000 0.355 301 R C -0.809 175.499 176.300 0.014 0.000 1.138 301 R CA -0.615 55.480 56.100 -0.009 0.000 1.059 301 R CB -0.024 30.260 30.300 -0.026 0.000 1.380 301 R HN 0.005 nan 8.270 nan 0.000 0.578 302 L N 3.165 124.346 121.223 -0.070 0.000 2.276 302 L HA 0.373 4.715 4.340 0.004 0.000 0.286 302 L C -2.065 174.834 176.870 0.048 0.000 1.061 302 L CA -2.618 52.187 54.840 -0.059 0.000 0.807 302 L CB 1.085 43.063 42.059 -0.135 0.000 1.177 302 L HN 0.121 nan 8.230 nan 0.000 0.429 303 P HA 0.032 nan 4.420 nan 0.000 0.255 303 P C 0.772 178.072 177.300 0.001 0.000 1.161 303 P CA 1.161 64.204 63.100 -0.096 0.000 0.768 303 P CB 0.314 31.877 31.700 -0.228 0.000 0.746 304 G N 3.465 112.275 108.800 0.017 0.000 2.268 304 G HA2 -0.390 3.572 3.960 0.004 0.000 0.240 304 G HA3 -0.390 3.572 3.960 0.004 0.000 0.240 304 G C 0.676 175.605 174.900 0.049 0.000 1.010 304 G CA 0.206 45.320 45.100 0.024 0.000 0.618 304 G HN 0.443 nan 8.290 nan 0.000 0.516 305 F N 1.615 121.560 119.950 -0.007 0.000 2.045 305 F HA -0.171 4.358 4.527 0.004 0.000 0.297 305 F C 2.779 178.592 175.800 0.021 0.000 1.114 305 F CA 3.061 61.066 58.000 0.009 0.000 1.207 305 F CB -0.282 38.722 39.000 0.007 0.000 0.964 305 F HN 0.275 nan 8.300 nan 0.000 0.486 306 Q N -0.644 119.220 119.800 0.106 0.000 2.439 306 Q HA -0.127 4.216 4.340 0.004 0.000 0.211 306 Q C 1.907 177.879 176.000 -0.046 0.000 0.978 306 Q CA 1.806 57.631 55.803 0.037 0.000 0.897 306 Q CB -0.474 28.326 28.738 0.104 0.000 0.956 306 Q HN 0.391 nan 8.270 nan 0.000 0.483 307 T N -0.072 114.444 114.554 -0.063 0.000 3.055 307 T HA 0.061 4.414 4.350 0.004 0.000 0.265 307 T C 0.552 175.197 174.700 -0.092 0.000 1.111 307 T CA 0.183 62.249 62.100 -0.057 0.000 1.118 307 T CB 0.006 68.850 68.868 -0.039 0.000 0.909 307 T HN 0.138 nan 8.240 nan 0.000 0.501 308 L N 1.470 122.584 121.223 -0.181 0.000 2.472 308 L HA 0.268 4.611 4.340 0.004 0.000 0.260 308 L C 0.627 177.419 176.870 -0.131 0.000 1.209 308 L CA -0.745 53.980 54.840 -0.191 0.000 0.817 308 L CB 0.066 41.919 42.059 -0.343 0.000 1.106 308 L HN 0.067 nan 8.230 nan 0.000 0.479 309 D N -1.068 119.281 120.400 -0.086 0.000 2.472 309 D HA -0.101 4.542 4.640 0.004 0.000 0.237 309 D C 1.047 177.334 176.300 -0.022 0.000 1.141 309 D CA 0.350 54.334 54.000 -0.028 0.000 0.875 309 D CB 0.653 41.443 40.800 -0.016 0.000 1.192 309 D HN 0.483 nan 8.370 nan 0.000 0.450 310 H N 2.388 121.424 119.070 -0.057 0.000 2.353 310 H HA -0.096 4.462 4.556 0.003 0.000 0.300 310 H C 1.346 176.663 175.328 -0.018 0.000 1.090 310 H CA 2.101 58.126 56.048 -0.039 0.000 1.327 310 H CB 0.313 30.066 29.762 -0.015 0.000 1.383 310 H HN 0.616 nan 8.280 nan 0.000 0.508 311 E N -0.327 119.866 120.200 -0.012 0.000 2.077 311 E HA -0.168 4.185 4.350 0.004 0.000 0.193 311 E C 1.692 178.258 176.600 -0.056 0.000 0.989 311 E CA 1.233 57.607 56.400 -0.043 0.000 0.800 311 E CB 0.026 29.734 29.700 0.013 0.000 0.746 311 E HN 0.577 nan 8.360 nan 0.000 0.452 312 D N 0.675 121.047 120.400 -0.047 0.000 2.144 312 D HA -0.151 4.491 4.640 0.004 0.000 0.199 312 D C 1.918 178.190 176.300 -0.048 0.000 0.984 312 D CA 0.968 54.949 54.000 -0.032 0.000 0.834 312 D CB -0.170 40.602 40.800 -0.047 0.000 0.955 312 D HN 0.230 nan 8.370 nan 0.000 0.465 313 Q N -0.153 119.560 119.800 -0.145 0.000 2.050 313 Q HA -0.117 4.225 4.340 0.004 0.000 0.202 313 Q C 2.167 178.238 176.000 0.117 0.000 0.980 313 Q CA 0.690 56.451 55.803 -0.070 0.000 0.840 313 Q CB 0.070 28.681 28.738 -0.212 0.000 0.898 313 Q HN 0.277 nan 8.270 nan 0.000 0.424 314 I N 0.916 121.462 120.570 -0.041 0.000 2.099 314 I HA -0.274 3.899 4.170 0.004 0.000 0.239 314 I C 2.432 178.584 176.117 0.058 0.000 1.066 314 I CA 1.559 62.854 61.300 -0.009 0.000 1.324 314 I CB -1.568 36.388 38.000 -0.073 0.000 1.037 314 I HN 0.170 nan 8.210 nan 0.000 0.401 315 A N 0.799 123.654 122.820 0.058 0.000 1.948 315 A HA -0.203 4.119 4.320 0.004 0.000 0.220 315 A C 2.415 180.082 177.584 0.139 0.000 1.177 315 A CA 1.561 53.668 52.037 0.116 0.000 0.636 315 A CB -0.904 18.186 19.000 0.149 0.000 0.815 315 A HN 0.451 nan 8.150 nan 0.000 0.449 316 L N -1.199 120.118 121.223 0.155 0.000 2.093 316 L HA -0.138 4.205 4.340 0.004 0.000 0.208 316 L C 2.566 179.541 176.870 0.176 0.000 1.085 316 L CA 0.843 55.798 54.840 0.192 0.000 0.755 316 L CB -0.420 41.818 42.059 0.299 0.000 0.904 316 L HN 0.383 nan 8.230 nan 0.000 0.435 317 L N -0.329 120.996 121.223 0.170 0.000 2.023 317 L HA -0.192 4.150 4.340 0.004 0.000 0.205 317 L C 2.674 179.605 176.870 0.102 0.000 1.073 317 L CA 1.025 55.934 54.840 0.116 0.000 0.745 317 L CB -0.350 41.767 42.059 0.098 0.000 0.900 317 L HN 0.127 nan 8.230 nan 0.000 0.435 318 K N 0.609 121.069 120.400 0.100 0.000 2.063 318 K HA -0.134 4.189 4.320 0.004 0.000 0.208 318 K C 1.847 178.515 176.600 0.114 0.000 1.048 318 K CA 1.663 58.010 56.287 0.101 0.000 0.928 318 K CB -0.804 31.750 32.500 0.090 0.000 0.713 318 K HN 0.253 nan 8.250 nan 0.000 0.442 319 G N -1.062 107.812 108.800 0.123 0.000 2.471 319 G HA2 -0.175 3.788 3.960 0.004 0.000 0.219 319 G HA3 -0.175 3.788 3.960 0.004 0.000 0.219 319 G C 1.304 176.263 174.900 0.099 0.000 1.125 319 G CA 1.030 46.200 45.100 0.118 0.000 0.775 319 G HN 0.494 nan 8.290 nan 0.000 0.548 320 S N -0.643 115.117 115.700 0.100 0.000 2.526 320 S HA 0.523 4.995 4.470 0.004 0.000 0.220 320 S C 2.328 176.972 174.600 0.074 0.000 1.017 320 S CA 0.917 59.172 58.200 0.091 0.000 0.930 320 S CB 0.375 63.640 63.200 0.108 0.000 0.856 320 S HN 0.421 nan 8.310 nan 0.000 0.497 321 A N 2.358 125.228 122.820 0.082 0.000 1.903 321 A HA -0.081 4.242 4.320 0.004 0.000 0.219 321 A C 2.256 179.858 177.584 0.030 0.000 1.191 321 A CA 2.339 54.434 52.037 0.097 0.000 0.638 321 A CB -1.309 17.773 19.000 0.137 0.000 0.823 321 A HN 0.447 nan 8.150 nan 0.000 0.451 322 V N -0.034 119.831 119.914 -0.083 0.000 2.307 322 V HA -0.240 3.882 4.120 0.004 0.000 0.245 322 V C 2.417 178.207 176.094 -0.505 0.000 1.045 322 V CA 2.181 64.222 62.300 -0.431 0.000 1.024 322 V CB -0.951 30.479 31.823 -0.655 0.000 0.651 322 V HN 0.662 nan 8.190 nan 0.000 0.449 323 E N 0.752 120.869 120.200 -0.137 0.000 2.058 323 E HA -0.227 4.125 4.350 0.004 0.000 0.194 323 E C 2.353 179.010 176.600 0.095 0.000 0.997 323 E CA 1.382 57.852 56.400 0.117 0.000 0.801 323 E CB -0.407 29.396 29.700 0.172 0.000 0.746 323 E HN 0.581 nan 8.360 nan 0.000 0.450 324 A N 2.160 125.015 122.820 0.058 0.000 1.883 324 A HA -0.232 4.091 4.320 0.004 0.000 0.217 324 A C 2.193 179.807 177.584 0.049 0.000 1.186 324 A CA 1.670 53.767 52.037 0.101 0.000 0.624 324 A CB -0.581 18.499 19.000 0.133 0.000 0.822 324 A HN 0.232 nan 8.150 nan 0.000 0.444 325 M N -0.886 118.635 119.600 -0.131 0.000 2.108 325 M HA -0.158 4.325 4.480 0.004 0.000 0.261 325 M C 1.952 178.103 176.300 -0.249 0.000 1.066 325 M CA 1.808 56.848 55.300 -0.434 0.000 1.107 325 M CB -0.869 31.421 32.600 -0.518 0.000 1.356 325 M HN 0.496 nan 8.290 nan 0.000 0.406 326 F N 0.357 120.289 119.950 -0.031 0.000 2.134 326 F HA -0.272 4.257 4.527 0.004 0.000 0.299 326 F C 2.332 178.169 175.800 0.061 0.000 1.097 326 F CA 0.843 58.894 58.000 0.085 0.000 1.264 326 F CB -0.431 38.664 39.000 0.157 0.000 1.001 326 F HN 0.132 nan 8.300 nan 0.000 0.479 327 L N -0.472 120.902 121.223 0.251 0.000 2.012 327 L HA -0.236 4.107 4.340 0.004 0.000 0.210 327 L C 2.731 179.583 176.870 -0.030 0.000 1.073 327 L CA 1.177 56.124 54.840 0.178 0.000 0.748 327 L CB -0.596 41.589 42.059 0.209 0.000 0.891 327 L HN 0.055 nan 8.230 nan 0.000 0.431 328 R N -0.109 120.347 120.500 -0.072 0.000 2.083 328 R HA -0.134 4.208 4.340 0.004 0.000 0.237 328 R C 2.447 178.513 176.300 -0.389 0.000 1.137 328 R CA 1.818 57.799 56.100 -0.199 0.000 0.951 328 R CB -0.544 29.727 30.300 -0.048 0.000 0.851 328 R HN 0.379 nan 8.270 nan 0.000 0.434 329 S N 0.854 116.308 115.700 -0.410 0.000 2.370 329 S HA -0.183 4.290 4.470 0.004 0.000 0.226 329 S C 2.107 176.171 174.600 -0.893 0.000 1.033 329 S CA 1.376 59.142 58.200 -0.724 0.000 1.011 329 S CB -0.311 62.535 63.200 -0.589 0.000 0.852 329 S HN 0.484 nan 8.310 nan 0.000 0.457 330 A N 1.609 124.051 122.820 -0.630 0.000 1.858 330 A HA -0.180 4.143 4.320 0.004 0.000 0.216 330 A C 2.110 179.519 177.584 -0.291 0.000 1.190 330 A CA 1.761 53.602 52.037 -0.325 0.000 0.617 330 A CB -0.838 18.179 19.000 0.027 0.000 0.827 330 A HN 0.575 nan 8.150 nan 0.000 0.443 331 E N -0.446 119.390 120.200 -0.607 0.000 2.049 331 E HA -0.218 4.135 4.350 0.004 0.000 0.198 331 E C 1.932 178.245 176.600 -0.477 0.000 1.007 331 E CA 1.572 57.380 56.400 -0.985 0.000 0.809 331 E CB -0.189 28.705 29.700 -1.343 0.000 0.749 331 E HN 0.480 nan 8.360 nan 0.000 0.450 332 I N 0.416 120.686 120.570 -0.500 0.000 2.099 332 I HA -0.291 3.881 4.170 0.004 0.000 0.239 332 I C 2.301 178.232 176.117 -0.309 0.000 1.066 332 I CA 1.507 62.535 61.300 -0.453 0.000 1.324 332 I CB -1.261 36.342 38.000 -0.662 0.000 1.037 332 I HN 0.218 nan 8.210 nan 0.000 0.401 333 F N 1.502 121.370 119.950 -0.137 0.000 2.014 333 F HA -0.216 4.313 4.527 0.004 0.000 0.295 333 F C 1.870 177.678 175.800 0.012 0.000 1.145 333 F CA 0.967 58.952 58.000 -0.025 0.000 1.178 333 F CB -0.645 38.371 39.000 0.027 0.000 0.972 333 F HN 0.245 nan 8.300 nan 0.000 0.476 334 N N 1.103 119.935 118.700 0.220 0.000 2.322 334 N HA 0.029 4.771 4.740 0.004 0.000 0.270 334 N C -0.649 174.921 175.510 0.100 0.000 1.286 334 N CA -0.285 52.858 53.050 0.154 0.000 0.948 334 N CB 0.188 38.764 38.487 0.148 0.000 1.164 334 N HN -0.047 nan 8.380 nan 0.000 0.551 335 K N -0.534 119.919 120.400 0.087 0.000 7.396 335 K HA -0.165 4.157 4.320 0.004 0.000 0.647 335 K C -0.816 175.807 176.600 0.039 0.000 2.584 335 K CA 0.633 56.960 56.287 0.066 0.000 1.938 335 K CB -0.426 32.130 32.500 0.094 0.000 1.962 335 K HN 0.850 nan 8.250 nan 0.000 0.295 336 K N 0.519 120.935 120.400 0.028 0.000 5.135 336 K HA -0.220 4.102 4.320 0.004 0.000 0.556 336 K C -0.121 176.483 176.600 0.006 0.000 1.469 336 K CA 0.619 56.913 56.287 0.012 0.000 1.255 336 K CB -0.671 31.831 32.500 0.004 0.000 1.862 336 K HN 0.396 nan 8.250 nan 0.000 0.289 337 L N 5.749 126.977 121.223 0.009 0.000 2.314 337 L HA 0.217 4.560 4.340 0.004 0.000 0.275 337 L C -0.803 176.061 176.870 -0.010 0.000 1.068 337 L CA -1.232 53.611 54.840 0.006 0.000 0.894 337 L CB 0.812 42.883 42.059 0.020 0.000 1.275 337 L HN 0.404 nan 8.230 nan 0.000 0.432 338 P HA -0.040 nan 4.420 nan 0.000 0.274 338 P C 0.782 178.057 177.300 -0.041 0.000 1.370 338 P CA 0.445 63.519 63.100 -0.044 0.000 0.760 338 P CB 0.158 31.812 31.700 -0.076 0.000 1.308 339 A N -1.251 121.557 122.820 -0.020 0.000 2.771 339 A HA -0.056 4.266 4.320 0.004 0.000 0.294 339 A C 0.826 178.406 177.584 -0.008 0.000 1.500 339 A CA 1.001 53.036 52.037 -0.004 0.000 0.829 339 A CB -1.920 17.082 19.000 0.003 0.000 0.998 339 A HN 0.566 nan 8.150 nan 0.000 0.526 340 G N -1.721 107.051 108.800 -0.047 0.000 3.176 340 G HA2 0.596 4.559 3.960 0.004 0.000 0.272 340 G HA3 0.596 4.559 3.960 0.004 0.000 0.272 340 G C -0.300 174.568 174.900 -0.053 0.000 1.349 340 G CA -0.131 44.921 45.100 -0.081 0.000 0.953 340 G HN 0.982 nan 8.290 nan 0.000 0.559 341 H N -0.381 118.702 119.070 0.022 0.000 3.191 341 H HA 0.472 5.031 4.556 0.004 0.000 0.261 341 H C 0.579 175.924 175.328 0.029 0.000 1.013 341 H CA 0.356 56.421 56.048 0.028 0.000 1.457 341 H CB 0.296 30.070 29.762 0.020 0.000 1.535 341 H HN 0.841 nan 8.280 nan 0.000 0.518 342 A N 2.961 125.849 122.820 0.114 0.000 1.790 342 A HA -0.133 4.189 4.320 0.004 0.000 0.174 342 A C 1.516 179.216 177.584 0.193 0.000 2.050 342 A CA 0.385 52.488 52.037 0.110 0.000 1.622 342 A CB -0.158 18.862 19.000 0.034 0.000 1.619 342 A HN 0.552 nan 8.150 nan 0.000 0.280 343 D N 0.780 121.263 120.400 0.138 0.000 2.249 343 D HA 0.021 4.663 4.640 0.004 0.000 0.205 343 D C 1.666 178.030 176.300 0.105 0.000 0.962 343 D CA 1.371 55.440 54.000 0.115 0.000 0.860 343 D CB -0.030 40.814 40.800 0.074 0.000 0.955 343 D HN 0.532 nan 8.370 nan 0.000 0.505 344 L N -0.139 121.156 121.223 0.120 0.000 2.240 344 L HA 0.030 4.373 4.340 0.004 0.000 0.211 344 L C 2.379 179.313 176.870 0.108 0.000 1.106 344 L CA 0.265 55.169 54.840 0.108 0.000 0.793 344 L CB -0.517 41.614 42.059 0.120 0.000 0.927 344 L HN 0.059 nan 8.230 nan 0.000 0.446 345 L N 0.843 122.161 121.223 0.158 0.000 2.093 345 L HA -0.147 4.196 4.340 0.004 0.000 0.208 345 L C 2.440 179.451 176.870 0.235 0.000 1.085 345 L CA 1.703 56.656 54.840 0.189 0.000 0.755 345 L CB -0.534 41.658 42.059 0.223 0.000 0.904 345 L HN 0.303 nan 8.230 nan 0.000 0.435 346 E N -0.254 120.091 120.200 0.242 0.000 2.058 346 E HA -0.265 4.088 4.350 0.004 0.000 0.194 346 E C 1.978 178.590 176.600 0.021 0.000 0.997 346 E CA 1.733 58.204 56.400 0.119 0.000 0.801 346 E CB -0.178 29.466 29.700 -0.093 0.000 0.746 346 E HN 0.652 nan 8.360 nan 0.000 0.450 347 E N 0.003 120.201 120.200 -0.002 0.000 2.058 347 E HA -0.229 4.124 4.350 0.004 0.000 0.194 347 E C 2.241 178.769 176.600 -0.119 0.000 0.997 347 E CA 1.260 57.625 56.400 -0.060 0.000 0.801 347 E CB -0.078 29.599 29.700 -0.038 0.000 0.746 347 E HN 0.258 nan 8.360 nan 0.000 0.450 348 R N 0.573 121.019 120.500 -0.090 0.000 2.105 348 R HA -0.127 4.216 4.340 0.004 0.000 0.239 348 R C 2.348 178.657 176.300 0.015 0.000 1.135 348 R CA 1.036 57.077 56.100 -0.099 0.000 0.967 348 R CB -0.832 29.456 30.300 -0.020 0.000 0.861 348 R HN 0.322 nan 8.270 nan 0.000 0.442 349 I N 1.179 121.812 120.570 0.104 0.000 2.226 349 I HA -0.169 4.004 4.170 0.004 0.000 0.245 349 I C 0.790 176.979 176.117 0.121 0.000 1.100 349 I CA 0.846 62.253 61.300 0.179 0.000 1.374 349 I CB -0.213 37.992 38.000 0.341 0.000 1.057 349 I HN -0.064 nan 8.210 nan 0.000 0.413 350 R N 3.236 123.769 120.500 0.055 0.000 2.401 350 R HA 0.077 4.419 4.340 0.004 0.000 0.299 350 R C -0.167 176.137 176.300 0.006 0.000 1.064 350 R CA -0.078 56.032 56.100 0.017 0.000 1.000 350 R CB 0.203 30.479 30.300 -0.040 0.000 0.973 350 R HN 0.125 nan 8.270 nan 0.000 0.438 351 K N 0.771 121.192 120.400 0.035 0.000 4.361 351 K HA -0.138 4.184 4.320 0.004 0.000 0.294 351 K C -0.046 176.595 176.600 0.068 0.000 0.970 351 K CA 1.124 57.441 56.287 0.051 0.000 0.913 351 K CB -1.661 30.868 32.500 0.047 0.000 1.583 351 K HN 0.922 nan 8.250 nan 0.000 0.438 352 S N -1.492 114.291 115.700 0.138 0.000 3.067 352 S HA 0.413 4.886 4.470 0.004 0.000 0.253 352 S C 0.889 175.743 174.600 0.424 0.000 0.942 352 S CA 0.813 59.166 58.200 0.254 0.000 1.197 352 S CB 1.030 64.395 63.200 0.274 0.000 1.143 352 S HN 1.363 nan 8.310 nan 0.000 0.638 353 G N 1.473 110.440 108.800 0.278 0.000 2.141 353 G HA2 -0.161 3.801 3.960 0.004 0.000 0.231 353 G HA3 -0.161 3.801 3.960 0.004 0.000 0.231 353 G C -0.237 174.731 174.900 0.113 0.000 0.984 353 G CA 0.080 45.370 45.100 0.317 0.000 0.660 353 G HN 0.619 nan 8.290 nan 0.000 0.525 354 I N 2.172 122.698 120.570 -0.074 0.000 2.354 354 I HA 0.498 4.671 4.170 0.004 0.000 0.292 354 I C 0.544 176.587 176.117 -0.124 0.000 0.989 354 I CA -0.427 60.677 61.300 -0.326 0.000 1.188 354 I CB 1.309 39.042 38.000 -0.444 0.000 1.342 354 I HN 0.060 nan 8.210 nan 0.000 0.457 355 S N 6.408 122.040 115.700 -0.113 0.000 2.546 355 S HA -0.037 4.436 4.470 0.004 0.000 0.290 355 S C 0.725 175.352 174.600 0.045 0.000 1.262 355 S CA -0.183 58.012 58.200 -0.010 0.000 1.083 355 S CB 0.052 63.258 63.200 0.010 0.000 0.859 355 S HN 0.490 nan 8.310 nan 0.000 0.495 356 D N 2.090 122.516 120.400 0.044 0.000 2.403 356 D HA -0.097 4.545 4.640 0.004 0.000 0.227 356 D C 1.698 178.037 176.300 0.065 0.000 0.995 356 D CA 0.636 54.672 54.000 0.059 0.000 0.928 356 D CB 0.061 40.883 40.800 0.036 0.000 0.887 356 D HN 0.825 nan 8.370 nan 0.000 0.529 357 E N -1.429 118.809 120.200 0.065 0.000 2.479 357 E HA -0.098 4.254 4.350 0.004 0.000 0.193 357 E C 1.233 177.874 176.600 0.068 0.000 1.049 357 E CA 0.131 56.558 56.400 0.045 0.000 0.870 357 E CB -0.069 29.646 29.700 0.025 0.000 0.944 357 E HN 0.459 nan 8.360 nan 0.000 0.492 358 Y N 1.582 121.864 120.300 -0.029 0.000 2.594 358 Y HA 0.184 4.737 4.550 0.004 0.000 0.283 358 Y C 2.170 178.065 175.900 -0.007 0.000 1.140 358 Y CA 0.298 58.378 58.100 -0.033 0.000 1.261 358 Y CB 0.288 38.704 38.460 -0.073 0.000 1.358 358 Y HN 0.056 nan 8.280 nan 0.000 0.513 359 I N -1.655 119.102 120.570 0.312 0.000 2.361 359 I HA -0.164 4.008 4.170 0.004 0.000 0.251 359 I C 1.644 177.940 176.117 0.298 0.000 1.133 359 I CA 1.821 63.322 61.300 0.335 0.000 1.413 359 I CB -0.817 37.410 38.000 0.377 0.000 1.073 359 I HN 0.111 nan 8.210 nan 0.000 0.424 360 T N 2.621 117.266 114.554 0.151 0.000 2.674 360 T HA -0.026 4.326 4.350 0.004 0.000 0.265 360 T C -0.161 174.573 174.700 0.056 0.000 1.039 360 T CA 2.032 64.191 62.100 0.098 0.000 1.150 360 T CB -1.315 67.579 68.868 0.043 0.000 0.864 360 T HN 0.459 nan 8.240 nan 0.000 0.427 361 P HA 0.019 nan 4.420 nan 0.000 0.217 361 P C 1.669 178.916 177.300 -0.089 0.000 1.154 361 P CA 0.948 64.034 63.100 -0.022 0.000 0.841 361 P CB -0.096 31.577 31.700 -0.045 0.000 0.788 362 M N -0.177 119.263 119.600 -0.266 0.000 2.082 362 M HA -0.126 4.357 4.480 0.004 0.000 0.258 362 M C 2.041 177.888 176.300 -0.754 0.000 1.071 362 M CA 2.011 56.916 55.300 -0.659 0.000 1.103 362 M CB -1.639 30.608 32.600 -0.587 0.000 1.307 362 M HN -0.236 nan 8.290 nan 0.000 0.409 363 F N -1.062 118.692 119.950 -0.327 0.000 2.408 363 F HA -0.138 4.392 4.527 0.004 0.000 0.300 363 F C 2.696 178.432 175.800 -0.107 0.000 1.090 363 F CA 1.227 59.120 58.000 -0.179 0.000 1.427 363 F CB -0.577 38.355 39.000 -0.114 0.000 1.070 363 F HN 0.255 nan 8.300 nan 0.000 0.549 364 S N -0.216 115.517 115.700 0.054 0.000 2.377 364 S HA -0.184 4.288 4.470 0.004 0.000 0.223 364 S C 2.049 176.697 174.600 0.079 0.000 1.030 364 S CA 0.768 59.013 58.200 0.074 0.000 0.970 364 S CB -0.531 62.710 63.200 0.068 0.000 0.830 364 S HN 0.433 nan 8.310 nan 0.000 0.473 365 F N 1.125 120.955 119.950 -0.200 0.000 2.046 365 F HA -0.188 4.342 4.527 0.004 0.000 0.297 365 F C 1.946 177.690 175.800 -0.094 0.000 1.123 365 F CA 1.991 59.855 58.000 -0.226 0.000 1.199 365 F CB -0.517 38.089 39.000 -0.658 0.000 0.972 365 F HN 0.317 nan 8.300 nan 0.000 0.474 366 Y N 0.094 120.314 120.300 -0.134 0.000 2.193 366 Y HA -0.334 4.218 4.550 0.004 0.000 0.285 366 Y C 2.544 178.408 175.900 -0.059 0.000 1.166 366 Y CA 1.389 59.408 58.100 -0.135 0.000 1.181 366 Y CB -0.491 38.010 38.460 0.068 0.000 0.976 366 Y HN 0.101 nan 8.280 nan 0.000 0.520 367 K N -0.065 120.424 120.400 0.148 0.000 2.217 367 K HA -0.112 4.210 4.320 0.004 0.000 0.202 367 K C 2.154 178.776 176.600 0.037 0.000 1.051 367 K CA 1.048 57.397 56.287 0.104 0.000 0.952 367 K CB -0.017 32.542 32.500 0.098 0.000 0.736 367 K HN 0.101 nan 8.250 nan 0.000 0.453 368 S N 0.309 116.003 115.700 -0.011 0.000 2.357 368 S HA -0.107 4.365 4.470 0.004 0.000 0.221 368 S C 1.902 176.449 174.600 -0.088 0.000 1.031 368 S CA 1.211 59.391 58.200 -0.033 0.000 0.982 368 S CB -0.085 63.112 63.200 -0.005 0.000 0.853 368 S HN 0.381 nan 8.310 nan 0.000 0.458 369 V N 1.008 120.795 119.914 -0.211 0.000 2.594 369 V HA -0.015 4.108 4.120 0.004 0.000 0.253 369 V C 2.099 178.159 176.094 -0.057 0.000 1.069 369 V CA 1.968 64.149 62.300 -0.197 0.000 1.082 369 V CB -1.600 30.048 31.823 -0.291 0.000 0.680 369 V HN 0.411 nan 8.190 nan 0.000 0.469 370 G N -0.151 108.649 108.800 0.000 0.000 2.421 370 G HA2 -0.244 3.718 3.960 0.004 0.000 0.216 370 G HA3 -0.244 3.718 3.960 0.004 0.000 0.216 370 G C 1.343 176.263 174.900 0.033 0.000 1.171 370 G CA 0.860 45.992 45.100 0.053 0.000 0.775 370 G HN 0.556 nan 8.290 nan 0.000 0.543 371 E N 0.017 120.229 120.200 0.021 0.000 2.233 371 E HA -0.083 4.269 4.350 0.004 0.000 0.199 371 E C 2.382 179.003 176.600 0.034 0.000 1.004 371 E CA 0.552 56.967 56.400 0.026 0.000 0.819 371 E CB -0.228 29.484 29.700 0.021 0.000 0.738 371 E HN 0.454 nan 8.360 nan 0.000 0.478 372 L N 0.330 121.568 121.223 0.025 0.000 2.549 372 L HA -0.048 4.295 4.340 0.004 0.000 0.229 372 L C 0.307 177.233 176.870 0.092 0.000 1.158 372 L CA 0.360 55.246 54.840 0.077 0.000 0.842 372 L CB -0.403 41.657 42.059 0.002 0.000 0.952 372 L HN 0.057 nan 8.230 nan 0.000 0.452 373 K N 0.826 121.247 120.400 0.035 0.000 3.490 373 K HA -0.204 4.118 4.320 0.004 0.000 0.273 373 K C -0.002 176.578 176.600 -0.033 0.000 0.916 373 K CA 0.488 56.781 56.287 0.010 0.000 0.718 373 K CB -1.281 31.221 32.500 0.004 0.000 1.477 373 K HN 0.349 nan 8.250 nan 0.000 0.452 374 M N 0.275 119.826 119.600 -0.081 0.000 2.202 374 M HA 0.084 4.566 4.480 0.004 0.000 0.316 374 M C 1.300 177.497 176.300 -0.172 0.000 1.138 374 M CA 0.236 55.411 55.300 -0.208 0.000 1.151 374 M CB 0.812 33.079 32.600 -0.555 0.000 1.422 374 M HN 0.376 nan 8.290 nan 0.000 0.471 375 T N -2.392 112.029 114.554 -0.223 0.000 2.937 375 T HA 0.263 4.616 4.350 0.004 0.000 0.283 375 T C 0.743 175.442 174.700 -0.002 0.000 1.012 375 T CA -0.944 61.066 62.100 -0.150 0.000 0.997 375 T CB 1.389 70.046 68.868 -0.351 0.000 1.136 375 T HN 0.614 nan 8.240 nan 0.000 0.551 376 Q N 0.199 120.035 119.800 0.060 0.000 2.112 376 Q HA -0.188 4.154 4.340 0.004 0.000 0.206 376 Q C 2.006 178.005 176.000 -0.001 0.000 0.987 376 Q CA 2.102 57.979 55.803 0.123 0.000 0.858 376 Q CB -0.256 28.546 28.738 0.107 0.000 0.905 376 Q HN 0.767 nan 8.270 nan 0.000 0.420 377 E N 0.621 120.804 120.200 -0.027 0.000 2.077 377 E HA -0.164 4.188 4.350 0.004 0.000 0.193 377 E C 1.858 178.435 176.600 -0.039 0.000 0.989 377 E CA 1.121 57.507 56.400 -0.023 0.000 0.800 377 E CB -0.055 29.683 29.700 0.063 0.000 0.746 377 E HN 0.405 nan 8.360 nan 0.000 0.452 378 E N -0.410 119.753 120.200 -0.062 0.000 2.072 378 E HA -0.167 4.185 4.350 0.004 0.000 0.191 378 E C 1.808 178.328 176.600 -0.134 0.000 0.985 378 E CA 0.895 57.246 56.400 -0.081 0.000 0.801 378 E CB -0.195 29.426 29.700 -0.132 0.000 0.750 378 E HN 0.388 nan 8.360 nan 0.000 0.452 379 Y N 0.565 120.801 120.300 -0.107 0.000 2.224 379 Y HA -0.226 4.327 4.550 0.004 0.000 0.289 379 Y C 2.463 178.174 175.900 -0.315 0.000 1.146 379 Y CA 0.717 58.730 58.100 -0.144 0.000 1.182 379 Y CB -0.068 38.333 38.460 -0.098 0.000 0.983 379 Y HN 0.082 nan 8.280 nan 0.000 0.524 380 A N -0.000 122.576 122.820 -0.407 0.000 1.873 380 A HA -0.147 4.176 4.320 0.004 0.000 0.215 380 A C 2.115 179.606 177.584 -0.156 0.000 1.186 380 A CA 1.485 53.104 52.037 -0.697 0.000 0.616 380 A CB -0.993 17.585 19.000 -0.704 0.000 0.823 380 A HN 0.445 nan 8.150 nan 0.000 0.442 381 L N -0.632 120.564 121.223 -0.045 0.000 2.027 381 L HA -0.138 4.204 4.340 0.004 0.000 0.206 381 L C 2.556 179.472 176.870 0.078 0.000 1.074 381 L CA 0.974 55.850 54.840 0.060 0.000 0.745 381 L CB -0.579 41.525 42.059 0.075 0.000 0.898 381 L HN 0.336 nan 8.230 nan 0.000 0.433 382 L N -0.711 120.541 121.223 0.049 0.000 2.012 382 L HA -0.239 4.103 4.340 0.004 0.000 0.210 382 L C 2.656 179.583 176.870 0.095 0.000 1.073 382 L CA 1.710 56.590 54.840 0.066 0.000 0.748 382 L CB -0.911 41.176 42.059 0.047 0.000 0.891 382 L HN 0.314 nan 8.230 nan 0.000 0.431 383 T N -0.308 114.296 114.554 0.084 0.000 2.746 383 T HA -0.173 4.180 4.350 0.004 0.000 0.267 383 T C 1.972 176.772 174.700 0.167 0.000 1.039 383 T CA 1.305 63.463 62.100 0.097 0.000 1.142 383 T CB -0.264 68.612 68.868 0.014 0.000 0.866 383 T HN 0.460 nan 8.240 nan 0.000 0.444 384 A N 1.676 124.631 122.820 0.226 0.000 1.898 384 A HA 0.010 4.333 4.320 0.004 0.000 0.216 384 A C 2.356 180.055 177.584 0.192 0.000 1.181 384 A CA 1.492 53.706 52.037 0.296 0.000 0.620 384 A CB -0.745 18.432 19.000 0.295 0.000 0.819 384 A HN 0.710 nan 8.150 nan 0.000 0.442 385 I N -2.650 118.009 120.570 0.149 0.000 2.353 385 I HA -0.084 4.089 4.170 0.004 0.000 0.248 385 I C 1.948 178.136 176.117 0.119 0.000 1.119 385 I CA 1.270 62.645 61.300 0.126 0.000 1.417 385 I CB -0.422 37.643 38.000 0.109 0.000 1.078 385 I HN 0.032 nan 8.210 nan 0.000 0.421 386 V N 1.896 121.881 119.914 0.119 0.000 2.255 386 V HA -0.305 3.818 4.120 0.004 0.000 0.247 386 V C 2.619 178.789 176.094 0.126 0.000 1.051 386 V CA 2.637 65.006 62.300 0.116 0.000 1.018 386 V CB -0.524 31.373 31.823 0.124 0.000 0.641 386 V HN 0.455 nan 8.190 nan 0.000 0.445 387 I N -0.589 120.068 120.570 0.146 0.000 2.208 387 I HA -0.184 3.988 4.170 0.004 0.000 0.245 387 I C 1.071 177.290 176.117 0.171 0.000 1.097 387 I CA 1.152 62.544 61.300 0.153 0.000 1.363 387 I CB -0.155 37.942 38.000 0.161 0.000 1.051 387 I HN 0.168 nan 8.210 nan 0.000 0.413 388 L N 1.392 122.716 121.223 0.169 0.000 2.648 388 L HA 0.231 4.573 4.340 0.004 0.000 0.238 388 L C -0.021 176.923 176.870 0.124 0.000 1.316 388 L CA 0.461 55.402 54.840 0.167 0.000 1.241 388 L CB -1.010 41.148 42.059 0.165 0.000 1.499 388 L HN 0.040 nan 8.230 nan 0.000 0.411 389 S N 2.181 117.950 115.700 0.114 0.000 2.429 389 S HA 0.372 4.844 4.470 0.004 0.000 0.302 389 S C -1.486 173.157 174.600 0.072 0.000 1.115 389 S CA -0.842 57.408 58.200 0.083 0.000 1.095 389 S CB 1.881 65.127 63.200 0.076 0.000 0.987 389 S HN 0.248 nan 8.310 nan 0.000 0.474 390 P HA 0.002 nan 4.420 nan 0.000 0.227 390 P C 0.152 177.470 177.300 0.028 0.000 1.161 390 P CA 0.581 63.706 63.100 0.041 0.000 0.788 390 P CB -0.005 31.715 31.700 0.033 0.000 0.822 391 D N -0.393 120.022 120.400 0.025 0.000 3.110 391 D HA 0.136 4.778 4.640 0.004 0.000 0.254 391 D C 0.059 176.362 176.300 0.006 0.000 1.283 391 D CA -0.345 53.660 54.000 0.008 0.000 0.944 391 D CB -0.055 40.746 40.800 0.002 0.000 1.066 391 D HN -0.100 nan 8.370 nan 0.000 0.496 392 R N 0.382 120.891 120.500 0.015 0.000 2.532 392 R HA 0.179 4.521 4.340 0.004 0.000 0.295 392 R C 1.348 177.630 176.300 -0.030 0.000 0.968 392 R CA -0.619 55.494 56.100 0.021 0.000 0.916 392 R CB 1.249 31.590 30.300 0.069 0.000 1.124 392 R HN 0.065 nan 8.270 nan 0.000 0.463 393 Q N 1.609 121.351 119.800 -0.097 0.000 2.242 393 Q HA -0.263 4.080 4.340 0.004 0.000 0.211 393 Q C 0.004 175.694 176.000 -0.516 0.000 0.992 393 Q CA 2.097 57.694 55.803 -0.344 0.000 0.889 393 Q CB 0.060 28.480 28.738 -0.530 0.000 0.913 393 Q HN 0.735 nan 8.270 nan 0.000 0.422 394 Y N -0.345 119.970 120.300 0.026 0.000 2.500 394 Y HA 0.252 4.805 4.550 0.005 0.000 0.246 394 Y C 0.439 176.348 175.900 0.016 0.000 1.146 394 Y CA -0.837 57.276 58.100 0.021 0.000 1.230 394 Y CB 0.370 38.844 38.460 0.023 0.000 1.214 394 Y HN 0.137 nan 8.280 nan 0.000 0.526 395 I N -1.332 119.304 120.570 0.111 0.000 2.648 395 I HA 0.124 4.297 4.170 0.004 0.000 0.284 395 I C 0.824 176.971 176.117 0.049 0.000 1.153 395 I CA -0.280 61.064 61.300 0.073 0.000 1.426 395 I CB 1.092 39.122 38.000 0.050 0.000 1.381 395 I HN -0.051 nan 8.210 nan 0.000 0.571 396 K N 3.294 123.720 120.400 0.043 0.000 2.116 396 K HA 0.010 4.332 4.320 0.004 0.000 0.203 396 K C 0.228 176.838 176.600 0.017 0.000 1.052 396 K CA 0.980 57.286 56.287 0.031 0.000 0.952 396 K CB -0.233 32.285 32.500 0.030 0.000 0.729 396 K HN 0.743 nan 8.250 nan 0.000 0.446 397 D N 0.901 121.307 120.400 0.010 0.000 2.458 397 D HA 0.153 4.795 4.640 0.004 0.000 0.258 397 D C 0.507 176.810 176.300 0.004 0.000 1.134 397 D CA -0.136 53.867 54.000 0.004 0.000 0.915 397 D CB 0.612 41.410 40.800 -0.004 0.000 1.028 397 D HN -0.078 nan 8.370 nan 0.000 0.508 398 R N 1.404 121.908 120.500 0.008 0.000 2.115 398 R HA -0.059 4.283 4.340 0.004 0.000 0.226 398 R C 1.795 178.102 176.300 0.011 0.000 1.100 398 R CA 0.537 56.643 56.100 0.011 0.000 0.980 398 R CB 0.337 30.643 30.300 0.010 0.000 0.875 398 R HN 0.493 nan 8.270 nan 0.000 0.445 399 E N 1.079 121.284 120.200 0.007 0.000 2.051 399 E HA -0.196 4.156 4.350 0.004 0.000 0.192 399 E C 1.953 178.556 176.600 0.006 0.000 0.991 399 E CA 1.207 57.611 56.400 0.008 0.000 0.799 399 E CB -0.024 29.679 29.700 0.005 0.000 0.748 399 E HN 0.314 nan 8.360 nan 0.000 0.449 400 A N 0.593 123.413 122.820 -0.000 0.000 1.948 400 A HA -0.191 4.131 4.320 0.004 0.000 0.220 400 A C 2.373 179.956 177.584 -0.002 0.000 1.177 400 A CA 1.809 53.842 52.037 -0.007 0.000 0.636 400 A CB -0.664 18.324 19.000 -0.020 0.000 0.815 400 A HN 0.242 nan 8.150 nan 0.000 0.449 401 V N -0.317 119.601 119.914 0.006 0.000 2.591 401 V HA -0.195 3.928 4.120 0.004 0.000 0.249 401 V C 2.299 178.416 176.094 0.037 0.000 1.053 401 V CA 1.865 64.180 62.300 0.025 0.000 1.068 401 V CB -0.799 31.047 31.823 0.037 0.000 0.689 401 V HN 0.611 nan 8.190 nan 0.000 0.462 402 E N 0.560 120.777 120.200 0.030 0.000 2.038 402 E HA -0.282 4.071 4.350 0.004 0.000 0.195 402 E C 2.258 178.877 176.600 0.032 0.000 1.000 402 E CA 1.477 57.897 56.400 0.033 0.000 0.803 402 E CB -0.207 29.509 29.700 0.026 0.000 0.750 402 E HN 0.537 nan 8.360 nan 0.000 0.448 403 K N 0.294 120.706 120.400 0.021 0.000 2.113 403 K HA -0.191 4.131 4.320 0.004 0.000 0.208 403 K C 1.913 178.525 176.600 0.021 0.000 1.047 403 K CA 1.106 57.402 56.287 0.016 0.000 0.928 403 K CB -0.070 32.434 32.500 0.007 0.000 0.716 403 K HN 0.003 nan 8.250 nan 0.000 0.446 404 L N 0.590 121.831 121.223 0.029 0.000 2.240 404 L HA -0.053 4.289 4.340 0.004 0.000 0.211 404 L C 2.395 179.300 176.870 0.058 0.000 1.106 404 L CA 1.475 56.340 54.840 0.041 0.000 0.793 404 L CB -0.435 41.658 42.059 0.056 0.000 0.927 404 L HN 0.221 nan 8.230 nan 0.000 0.446 405 Q N -0.487 119.352 119.800 0.064 0.000 2.204 405 Q HA -0.144 4.198 4.340 0.004 0.000 0.198 405 Q C 1.884 177.928 176.000 0.073 0.000 0.946 405 Q CA 0.651 56.500 55.803 0.078 0.000 0.859 405 Q CB 0.318 29.106 28.738 0.082 0.000 0.946 405 Q HN 0.383 nan 8.270 nan 0.000 0.474 406 E N 0.729 120.965 120.200 0.060 0.000 2.070 406 E HA -0.185 4.168 4.350 0.004 0.000 0.197 406 E C -1.009 175.622 176.600 0.052 0.000 1.004 406 E CA 2.105 58.540 56.400 0.058 0.000 0.805 406 E CB -0.756 28.969 29.700 0.041 0.000 0.744 406 E HN 0.423 nan 8.360 nan 0.000 0.451 407 P HA -0.176 nan 4.420 nan 0.000 0.216 407 P C 1.019 178.344 177.300 0.042 0.000 1.150 407 P CA 1.185 64.301 63.100 0.027 0.000 0.843 407 P CB 0.032 31.741 31.700 0.015 0.000 0.787 408 L N -2.044 119.217 121.223 0.063 0.000 2.056 408 L HA -0.153 4.189 4.340 0.004 0.000 0.207 408 L C 2.275 179.210 176.870 0.108 0.000 1.078 408 L CA 0.937 55.828 54.840 0.085 0.000 0.749 408 L CB -1.010 41.109 42.059 0.101 0.000 0.901 408 L HN -0.012 nan 8.230 nan 0.000 0.433 409 L N 0.006 121.304 121.223 0.125 0.000 1.994 409 L HA -0.237 4.105 4.340 0.004 0.000 0.208 409 L C 2.317 179.250 176.870 0.104 0.000 1.071 409 L CA 1.822 56.780 54.840 0.197 0.000 0.745 409 L CB -1.097 41.087 42.059 0.208 0.000 0.892 409 L HN 0.265 nan 8.230 nan 0.000 0.431 410 D N -0.860 119.559 120.400 0.032 0.000 2.133 410 D HA -0.171 4.472 4.640 0.004 0.000 0.195 410 D C 2.313 178.569 176.300 -0.074 0.000 0.997 410 D CA 1.445 55.414 54.000 -0.051 0.000 0.840 410 D CB -0.180 40.602 40.800 -0.030 0.000 0.947 410 D HN 0.192 nan 8.370 nan 0.000 0.452 411 V N 1.224 121.129 119.914 -0.015 0.000 2.295 411 V HA -0.216 3.906 4.120 0.004 0.000 0.246 411 V C 2.509 178.604 176.094 0.001 0.000 1.049 411 V CA 1.150 63.445 62.300 -0.008 0.000 1.024 411 V CB -0.568 31.271 31.823 0.027 0.000 0.648 411 V HN 0.131 nan 8.190 nan 0.000 0.447 412 L N 0.219 121.479 121.223 0.062 0.000 2.042 412 L HA -0.232 4.110 4.340 0.004 0.000 0.210 412 L C 2.472 179.380 176.870 0.063 0.000 1.076 412 L CA 2.382 57.303 54.840 0.134 0.000 0.749 412 L CB -0.923 41.292 42.059 0.261 0.000 0.893 412 L HN 0.462 nan 8.230 nan 0.000 0.432 413 Q N -0.397 119.265 119.800 -0.231 0.000 2.020 413 Q HA -0.299 4.044 4.340 0.004 0.000 0.202 413 Q C 2.407 178.220 176.000 -0.312 0.000 0.982 413 Q CA 2.181 57.559 55.803 -0.708 0.000 0.838 413 Q CB -0.215 27.683 28.738 -1.400 0.000 0.899 413 Q HN 0.563 nan 8.270 nan 0.000 0.423 414 K N -0.155 120.107 120.400 -0.230 0.000 2.152 414 K HA -0.174 4.149 4.320 0.004 0.000 0.206 414 K C 2.019 178.539 176.600 -0.133 0.000 1.048 414 K CA 1.013 57.205 56.287 -0.157 0.000 0.933 414 K CB -0.097 32.328 32.500 -0.124 0.000 0.721 414 K HN 0.194 nan 8.250 nan 0.000 0.447 415 L N 0.430 121.600 121.223 -0.088 0.000 2.201 415 L HA -0.170 4.172 4.340 0.004 0.000 0.212 415 L C 1.992 178.851 176.870 -0.020 0.000 1.105 415 L CA 1.323 56.117 54.840 -0.077 0.000 0.775 415 L CB -0.363 41.745 42.059 0.082 0.000 0.913 415 L HN 0.310 nan 8.230 nan 0.000 0.440 416 C N -0.827 118.496 119.300 0.040 0.000 2.466 416 C HA -0.117 4.345 4.460 0.004 0.000 0.278 416 C C 2.665 177.648 174.990 -0.012 0.000 1.288 416 C CA 0.461 59.534 59.018 0.091 0.000 1.722 416 C CB -0.600 27.291 27.740 0.252 0.000 2.017 416 C HN 0.474 nan 8.230 nan 0.000 0.488 417 K N 0.703 121.071 120.400 -0.053 0.000 2.032 417 K HA -0.135 4.188 4.320 0.004 0.000 0.209 417 K C 1.699 178.241 176.600 -0.097 0.000 1.048 417 K CA 1.421 57.668 56.287 -0.066 0.000 0.927 417 K CB -0.336 32.115 32.500 -0.080 0.000 0.712 417 K HN 0.491 nan 8.250 nan 0.000 0.441 418 I N 0.131 120.600 120.570 -0.170 0.000 2.076 418 I HA -0.316 3.856 4.170 0.004 0.000 0.237 418 I C 2.223 178.209 176.117 -0.218 0.000 1.059 418 I CA 1.568 62.714 61.300 -0.255 0.000 1.317 418 I CB -0.418 37.315 38.000 -0.445 0.000 1.037 418 I HN 0.076 nan 8.210 nan 0.000 0.398 419 Y N 0.379 120.636 120.300 -0.072 0.000 2.242 419 Y HA -0.086 4.467 4.550 0.004 0.000 0.291 419 Y C 0.912 176.741 175.900 -0.118 0.000 1.137 419 Y CA 0.711 58.758 58.100 -0.088 0.000 1.181 419 Y CB -0.303 38.097 38.460 -0.100 0.000 0.989 419 Y HN 0.282 nan 8.280 nan 0.000 0.527 420 Q N 0.186 119.978 119.800 -0.013 0.000 3.255 420 Q HA 0.198 4.541 4.340 0.004 0.000 0.231 420 Q C -2.301 173.665 176.000 -0.057 0.000 0.935 420 Q CA -1.351 54.404 55.803 -0.080 0.000 0.714 420 Q CB 1.689 30.284 28.738 -0.239 0.000 1.345 420 Q HN 0.081 nan 8.270 nan 0.000 0.463 421 P HA -0.011 nan 4.420 nan 0.000 0.251 421 P C 0.126 177.424 177.300 -0.003 0.000 1.223 421 P CA 0.403 63.492 63.100 -0.017 0.000 0.796 421 P CB 0.686 32.371 31.700 -0.026 0.000 1.068 422 E N 1.025 121.223 120.200 -0.003 0.000 2.187 422 E HA -0.189 4.163 4.350 0.004 0.000 0.199 422 E C 1.691 178.301 176.600 0.016 0.000 1.004 422 E CA 1.549 57.953 56.400 0.006 0.000 0.813 422 E CB -0.615 29.089 29.700 0.006 0.000 0.736 422 E HN 0.509 nan 8.360 nan 0.000 0.468 423 N N -0.219 118.497 118.700 0.027 0.000 2.400 423 N HA 0.071 4.814 4.740 0.004 0.000 0.228 423 N C -0.800 174.735 175.510 0.042 0.000 1.023 423 N CA 0.363 53.438 53.050 0.041 0.000 1.150 423 N CB -1.531 36.994 38.487 0.064 0.000 1.452 423 N HN 0.180 nan 8.380 nan 0.000 0.605 424 P HA 0.186 nan 4.420 nan 0.000 0.197 424 P C 0.050 177.429 177.300 0.131 0.000 1.188 424 P CA 0.913 64.072 63.100 0.098 0.000 0.873 424 P CB 0.631 32.390 31.700 0.098 0.000 0.712 425 Q N -2.339 117.540 119.800 0.132 0.000 2.604 425 Q HA -0.319 4.023 4.340 0.004 0.000 0.160 425 Q C 1.869 177.949 176.000 0.134 0.000 1.724 425 Q CA 1.598 57.468 55.803 0.112 0.000 1.083 425 Q CB -2.394 26.387 28.738 0.073 0.000 1.016 425 Q HN 0.510 nan 8.270 nan 0.000 0.939 426 H N 0.109 119.225 119.070 0.078 0.000 2.330 426 H HA -0.215 4.343 4.556 0.004 0.000 0.290 426 H C 1.745 177.140 175.328 0.111 0.000 1.111 426 H CA 2.372 58.466 56.048 0.076 0.000 1.226 426 H CB -0.275 29.534 29.762 0.079 0.000 1.355 426 H HN 0.403 nan 8.280 nan 0.000 0.485 427 F N 0.977 120.984 119.950 0.095 0.000 2.134 427 F HA -0.104 4.425 4.527 0.004 0.000 0.299 427 F C 2.692 178.477 175.800 -0.025 0.000 1.097 427 F CA 1.630 59.651 58.000 0.035 0.000 1.264 427 F CB -0.825 38.215 39.000 0.065 0.000 1.001 427 F HN 0.230 nan 8.300 nan 0.000 0.479 428 A N -0.456 122.347 122.820 -0.028 0.000 1.877 428 A HA -0.270 4.053 4.320 0.004 0.000 0.216 428 A C 2.482 179.963 177.584 -0.171 0.000 1.186 428 A CA 1.721 53.679 52.037 -0.131 0.000 0.620 428 A CB -1.841 17.159 19.000 -0.001 0.000 0.822 428 A HN 0.673 nan 8.150 nan 0.000 0.443 429 C N -0.358 118.864 119.300 -0.129 0.000 2.413 429 C HA -0.047 4.415 4.460 0.004 0.000 0.277 429 C C 2.570 177.441 174.990 -0.199 0.000 1.265 429 C CA 1.139 60.074 59.018 -0.139 0.000 1.752 429 C CB -1.547 26.117 27.740 -0.127 0.000 1.998 429 C HN 0.568 nan 8.230 nan 0.000 0.489 430 L N 0.372 121.415 121.223 -0.301 0.000 2.017 430 L HA -0.127 4.215 4.340 0.004 0.000 0.208 430 L C 2.676 179.410 176.870 -0.226 0.000 1.073 430 L CA 1.653 56.323 54.840 -0.284 0.000 0.745 430 L CB -0.729 41.154 42.059 -0.294 0.000 0.894 430 L HN 0.416 nan 8.230 nan 0.000 0.432 431 L N -0.665 120.360 121.223 -0.329 0.000 2.265 431 L HA -0.116 4.227 4.340 0.004 0.000 0.215 431 L C 2.591 179.377 176.870 -0.140 0.000 1.117 431 L CA 0.929 55.606 54.840 -0.271 0.000 0.782 431 L CB -0.992 40.829 42.059 -0.396 0.000 0.914 431 L HN 0.305 nan 8.230 nan 0.000 0.441 432 G N 0.046 108.772 108.800 -0.123 0.000 2.453 432 G HA2 -0.257 3.706 3.960 0.004 0.000 0.215 432 G HA3 -0.257 3.706 3.960 0.004 0.000 0.215 432 G C 1.595 176.501 174.900 0.009 0.000 1.201 432 G CA 0.339 45.405 45.100 -0.056 0.000 0.784 432 G HN 0.188 nan 8.290 nan 0.000 0.545 433 R N -0.267 120.257 120.500 0.039 0.000 2.170 433 R HA 0.030 4.373 4.340 0.004 0.000 0.242 433 R C 2.413 178.831 176.300 0.196 0.000 1.145 433 R CA 0.457 56.669 56.100 0.188 0.000 0.984 433 R CB -0.860 29.512 30.300 0.118 0.000 0.869 433 R HN 0.341 nan 8.270 nan 0.000 0.455 434 L N -0.501 120.770 121.223 0.079 0.000 2.141 434 L HA -0.102 4.240 4.340 0.004 0.000 0.209 434 L C 1.843 178.747 176.870 0.056 0.000 1.094 434 L CA 1.817 56.703 54.840 0.076 0.000 0.763 434 L CB -0.578 41.492 42.059 0.018 0.000 0.908 434 L HN 0.172 nan 8.230 nan 0.000 0.437 435 T N -1.497 113.067 114.554 0.018 0.000 2.896 435 T HA -0.091 4.261 4.350 0.004 0.000 0.263 435 T C 1.684 176.361 174.700 -0.038 0.000 1.050 435 T CA 0.840 62.931 62.100 -0.016 0.000 1.140 435 T CB 0.005 68.851 68.868 -0.038 0.000 0.877 435 T HN 0.348 nan 8.240 nan 0.000 0.457 436 E N 1.302 121.490 120.200 -0.019 0.000 2.021 436 E HA -0.167 4.185 4.350 0.004 0.000 0.200 436 E C 2.164 178.671 176.600 -0.155 0.000 1.015 436 E CA 1.516 57.850 56.400 -0.111 0.000 0.824 436 E CB -0.424 29.281 29.700 0.009 0.000 0.762 436 E HN 0.431 nan 8.360 nan 0.000 0.454 437 L N 0.002 121.236 121.223 0.018 0.000 2.450 437 L HA -0.110 4.233 4.340 0.004 0.000 0.225 437 L C 2.029 178.934 176.870 0.059 0.000 1.145 437 L CA 1.545 56.413 54.840 0.047 0.000 0.801 437 L CB -0.539 41.627 42.059 0.177 0.000 0.924 437 L HN -0.090 nan 8.230 nan 0.000 0.447 438 R N 0.246 120.749 120.500 0.005 0.000 2.115 438 R HA -0.077 4.266 4.340 0.004 0.000 0.226 438 R C 2.336 178.591 176.300 -0.074 0.000 1.100 438 R CA 1.564 57.665 56.100 0.002 0.000 0.980 438 R CB -0.337 29.953 30.300 -0.016 0.000 0.875 438 R HN 0.772 nan 8.270 nan 0.000 0.445 439 T N -2.626 111.794 114.554 -0.225 0.000 3.014 439 T HA -0.009 4.343 4.350 0.004 0.000 0.263 439 T C 1.548 175.896 174.700 -0.587 0.000 1.078 439 T CA 0.547 62.421 62.100 -0.377 0.000 1.135 439 T CB -0.209 68.365 68.868 -0.490 0.000 0.895 439 T HN 0.023 nan 8.240 nan 0.000 0.480 440 F N 2.482 122.104 119.950 -0.546 0.000 2.234 440 F HA 0.147 4.676 4.527 0.004 0.000 0.299 440 F C 2.425 178.120 175.800 -0.175 0.000 1.087 440 F CA 0.568 58.179 58.000 -0.649 0.000 1.340 440 F CB -0.751 37.626 39.000 -1.039 0.000 1.031 440 F HN 0.216 nan 8.300 nan 0.000 0.500 441 N N -0.420 118.401 118.700 0.203 0.000 2.149 441 N HA -0.261 4.481 4.740 0.004 0.000 0.188 441 N C 1.887 177.529 175.510 0.220 0.000 1.019 441 N CA 1.573 54.787 53.050 0.273 0.000 0.857 441 N CB -0.331 38.257 38.487 0.167 0.000 0.997 441 N HN 0.350 nan 8.380 nan 0.000 0.426 442 H N -0.623 118.463 119.070 0.026 0.000 2.321 442 H HA -0.063 4.496 4.556 0.004 0.000 0.300 442 H C 1.614 177.060 175.328 0.197 0.000 1.087 442 H CA 2.169 58.252 56.048 0.059 0.000 1.319 442 H CB -0.387 29.359 29.762 -0.027 0.000 1.379 442 H HN 0.350 nan 8.280 nan 0.000 0.501 443 H N -1.106 117.962 119.070 -0.003 0.000 2.321 443 H HA -0.119 4.439 4.556 0.004 0.000 0.300 443 H C 2.309 177.747 175.328 0.183 0.000 1.087 443 H CA 1.669 57.715 56.048 -0.003 0.000 1.319 443 H CB -1.125 28.636 29.762 -0.002 0.000 1.379 443 H HN 0.652 nan 8.280 nan 0.000 0.501 444 H N 0.623 119.895 119.070 0.337 0.000 2.319 444 H HA -0.125 4.433 4.556 0.004 0.000 0.297 444 H C 2.210 177.548 175.328 0.016 0.000 1.097 444 H CA 2.057 58.248 56.048 0.237 0.000 1.285 444 H CB -0.138 29.751 29.762 0.212 0.000 1.368 444 H HN 0.327 nan 8.280 nan 0.000 0.495 445 A N 0.453 123.347 122.820 0.124 0.000 1.972 445 A HA -0.180 4.143 4.320 0.004 0.000 0.219 445 A C 2.219 179.778 177.584 -0.043 0.000 1.169 445 A CA 1.838 53.889 52.037 0.024 0.000 0.635 445 A CB -0.374 18.667 19.000 0.069 0.000 0.810 445 A HN 0.728 nan 8.150 nan 0.000 0.446 446 E N -0.760 119.405 120.200 -0.057 0.000 2.076 446 E HA -0.146 4.206 4.350 0.004 0.000 0.190 446 E C 2.013 178.603 176.600 -0.016 0.000 0.979 446 E CA 1.331 57.701 56.400 -0.050 0.000 0.807 446 E CB -0.301 29.338 29.700 -0.102 0.000 0.761 446 E HN 0.812 nan 8.360 nan 0.000 0.454 447 M N 0.467 120.054 119.600 -0.022 0.000 2.279 447 M HA -0.098 4.384 4.480 0.004 0.000 0.264 447 M C 1.735 178.018 176.300 -0.028 0.000 1.062 447 M CA 1.598 56.844 55.300 -0.089 0.000 1.099 447 M CB -0.491 31.888 32.600 -0.369 0.000 1.394 447 M HN -0.016 nan 8.290 nan 0.000 0.426 448 L N -0.339 120.867 121.223 -0.028 0.000 1.989 448 L HA -0.163 4.180 4.340 0.004 0.000 0.211 448 L C 2.349 179.375 176.870 0.259 0.000 1.071 448 L CA 1.220 56.160 54.840 0.167 0.000 0.749 448 L CB -0.736 41.309 42.059 -0.022 0.000 0.890 448 L HN 0.396 nan 8.230 nan 0.000 0.431 449 M N -0.353 119.332 119.600 0.143 0.000 2.629 449 M HA -0.085 4.397 4.480 0.004 0.000 0.257 449 M C 1.749 178.133 176.300 0.140 0.000 1.071 449 M CA 1.024 56.407 55.300 0.139 0.000 1.077 449 M CB -1.321 31.331 32.600 0.086 0.000 1.423 449 M HN 0.341 nan 8.290 nan 0.000 0.508 450 S N -2.437 113.357 115.700 0.156 0.000 2.588 450 S HA 0.105 4.577 4.470 0.004 0.000 0.245 450 S C -0.414 174.337 174.600 0.253 0.000 1.021 450 S CA -0.759 57.526 58.200 0.141 0.000 1.006 450 S CB -0.362 62.887 63.200 0.083 0.000 0.830 450 S HN 0.481 nan 8.310 nan 0.000 0.468 451 W N 3.762 125.107 121.300 0.075 0.000 2.289 451 W HA 0.597 5.260 4.660 0.005 0.000 0.342 451 W C -0.925 175.605 176.519 0.017 0.000 0.958 451 W CA -1.712 55.684 57.345 0.084 0.000 1.492 451 W CB 0.222 29.799 29.460 0.195 0.000 1.336 451 W HN 0.003 nan 8.180 nan 0.000 0.371 452 R N 3.493 124.153 120.500 0.267 0.000 2.732 452 R HA 0.649 4.991 4.340 0.004 0.000 0.278 452 R C -0.845 175.431 176.300 -0.040 0.000 0.976 452 R CA -1.172 54.927 56.100 -0.001 0.000 0.963 452 R CB 1.558 31.839 30.300 -0.032 0.000 1.150 452 R HN 0.276 nan 8.270 nan 0.000 0.478 453 V N -0.250 119.482 119.914 -0.303 0.000 2.595 453 V HA 0.352 4.475 4.120 0.004 0.000 0.269 453 V C 0.506 176.367 176.094 -0.388 0.000 0.982 453 V CA -0.816 61.297 62.300 -0.312 0.000 0.873 453 V CB 0.584 32.093 31.823 -0.523 0.000 1.051 453 V HN 0.966 nan 8.190 nan 0.000 0.466 454 N N 2.246 120.783 118.700 -0.271 0.000 3.594 454 N HA -0.341 4.401 4.740 0.004 0.000 0.203 454 N C 0.589 175.893 175.510 -0.343 0.000 0.298 454 N CA 2.151 55.009 53.050 -0.320 0.000 2.288 454 N CB -0.906 37.285 38.487 -0.495 0.000 1.381 454 N HN 0.884 nan 8.380 nan 0.000 0.377 455 D N -1.381 118.721 120.400 -0.496 0.000 2.738 455 D HA 0.092 4.735 4.640 0.004 0.000 0.345 455 D C -1.203 174.877 176.300 -0.367 0.000 1.465 455 D CA -0.124 53.662 54.000 -0.356 0.000 0.935 455 D CB 0.127 40.777 40.800 -0.251 0.000 1.543 455 D HN 0.329 nan 8.370 nan 0.000 0.399 456 H N 1.275 120.113 119.070 -0.386 0.000 2.972 456 H HA 0.260 4.818 4.556 0.004 0.000 0.343 456 H C 0.360 175.416 175.328 -0.453 0.000 1.054 456 H CA 0.640 56.449 56.048 -0.399 0.000 1.412 456 H CB 0.687 30.137 29.762 -0.521 0.000 1.385 456 H HN 0.143 nan 8.280 nan 0.000 0.600 457 K N 2.118 122.454 120.400 -0.107 0.000 2.166 457 K HA 0.335 4.658 4.320 0.004 0.000 0.245 457 K C -0.261 176.289 176.600 -0.083 0.000 0.967 457 K CA -0.648 55.564 56.287 -0.125 0.000 0.863 457 K CB 1.231 33.721 32.500 -0.016 0.000 1.107 457 K HN 0.191 nan 8.250 nan 0.000 0.436 458 F N 0.885 120.884 119.950 0.082 0.000 2.403 458 F HA 0.054 4.583 4.527 0.003 0.000 0.320 458 F C 1.551 177.319 175.800 -0.053 0.000 1.176 458 F CA -0.349 57.648 58.000 -0.005 0.000 1.206 458 F CB 0.371 39.344 39.000 -0.046 0.000 1.235 458 F HN 0.523 nan 8.300 nan 0.000 0.565 459 T N -0.650 113.949 114.554 0.075 0.000 2.855 459 T HA 0.103 4.455 4.350 0.004 0.000 0.314 459 T C -1.920 172.779 174.700 -0.001 0.000 1.077 459 T CA -1.238 60.860 62.100 -0.004 0.000 1.095 459 T CB 0.733 69.559 68.868 -0.070 0.000 0.987 459 T HN 0.294 nan 8.240 nan 0.000 0.546 460 P HA -0.118 nan 4.420 nan 0.000 0.215 460 P C 1.757 179.038 177.300 -0.032 0.000 1.157 460 P CA 0.464 63.559 63.100 -0.008 0.000 0.874 460 P CB -0.103 31.591 31.700 -0.011 0.000 0.790 461 L N -0.843 120.342 121.223 -0.063 0.000 1.989 461 L HA -0.181 4.162 4.340 0.004 0.000 0.211 461 L C 2.275 179.058 176.870 -0.146 0.000 1.071 461 L CA 1.865 56.652 54.840 -0.089 0.000 0.749 461 L CB -1.488 40.509 42.059 -0.104 0.000 0.890 461 L HN -0.117 nan 8.230 nan 0.000 0.431 462 L N -1.349 119.726 121.223 -0.246 0.000 1.990 462 L HA -0.342 4.000 4.340 0.004 0.000 0.213 462 L C 2.675 179.423 176.870 -0.203 0.000 1.072 462 L CA 1.824 56.397 54.840 -0.447 0.000 0.755 462 L CB -1.034 40.640 42.059 -0.642 0.000 0.889 462 L HN 0.418 nan 8.230 nan 0.000 0.432 463 C N -0.298 118.961 119.300 -0.068 0.000 2.396 463 C HA -0.234 4.228 4.460 0.004 0.000 0.277 463 C C 2.792 177.799 174.990 0.030 0.000 1.231 463 C CA 1.368 60.400 59.018 0.023 0.000 1.775 463 C CB -0.883 26.901 27.740 0.072 0.000 2.036 463 C HN 0.555 nan 8.230 nan 0.000 0.484 464 E N 0.698 120.901 120.200 0.005 0.000 2.076 464 E HA -0.141 4.211 4.350 0.004 0.000 0.190 464 E C 1.959 178.586 176.600 0.046 0.000 0.979 464 E CA 1.455 57.868 56.400 0.021 0.000 0.807 464 E CB -0.080 29.623 29.700 0.005 0.000 0.761 464 E HN 0.791 nan 8.360 nan 0.000 0.454 465 I N -2.457 118.134 120.570 0.035 0.000 2.400 465 I HA -0.022 4.150 4.170 0.004 0.000 0.248 465 I C 1.493 177.779 176.117 0.283 0.000 1.109 465 I CA 0.336 61.702 61.300 0.111 0.000 1.425 465 I CB -0.399 37.641 38.000 0.067 0.000 1.094 465 I HN 0.028 nan 8.210 nan 0.000 0.425 466 W N 2.074 123.360 121.300 -0.024 0.000 3.077 466 W HA 0.106 4.768 4.660 0.003 0.000 0.245 466 W C 1.165 177.681 176.519 -0.005 0.000 1.316 466 W CA 0.167 57.511 57.345 -0.003 0.000 1.537 466 W CB -0.838 28.577 29.460 -0.074 0.000 1.131 466 W HN 0.455 nan 8.180 nan 0.000 0.695 467 D N -1.649 118.872 120.400 0.200 0.000 2.734 467 D HA -0.235 4.407 4.640 0.004 0.000 0.194 467 D C 0.199 176.558 176.300 0.098 0.000 1.459 467 D CA 2.342 56.417 54.000 0.125 0.000 1.925 467 D CB -0.909 39.962 40.800 0.119 0.000 1.370 467 D HN 0.079 nan 8.370 nan 0.000 0.511 468 V N 0.000 119.971 119.914 0.095 0.000 2.409 468 V HA 0.000 4.122 4.120 0.004 0.000 0.244 468 V CA 0.000 62.352 62.300 0.088 0.000 1.235 468 V CB 0.000 31.880 31.823 0.095 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556