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 1ot7_1_B DATA FIRST_RESID 240 DATA SEQUENCE TELTVDQQTL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 240 T C 0.000 174.682 174.700 -0.030 0.000 1.109 240 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 240 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 241 E N 0.412 120.598 120.200 -0.025 0.000 2.766 241 E HA 0.475 4.825 4.350 0.000 0.000 0.261 241 E C 0.597 177.172 176.600 -0.042 0.000 1.427 241 E CA -0.733 55.648 56.400 -0.032 0.000 1.085 241 E CB 0.579 30.269 29.700 -0.016 0.000 1.074 241 E HN 0.440 nan 8.360 nan 0.000 0.651 242 L N 0.939 122.134 121.223 -0.047 0.000 2.483 242 L HA 0.033 4.373 4.340 0.000 0.000 0.275 242 L C 0.639 177.489 176.870 -0.033 0.000 1.220 242 L CA 0.691 55.501 54.840 -0.049 0.000 0.833 242 L CB 0.369 42.397 42.059 -0.051 0.000 1.102 242 L HN 0.610 nan 8.230 nan 0.000 0.490 243 T N -0.371 114.163 114.554 -0.033 0.000 2.895 243 T HA 0.374 4.724 4.350 0.000 0.000 0.283 243 T C 1.332 176.019 174.700 -0.021 0.000 1.014 243 T CA -0.710 61.375 62.100 -0.025 0.000 1.037 243 T CB 1.246 70.098 68.868 -0.026 0.000 1.006 243 T HN 0.279 nan 8.240 nan 0.000 0.468 244 V N 2.112 122.017 119.914 -0.015 0.000 2.280 244 V HA -0.307 3.813 4.120 0.000 0.000 0.258 244 V C 2.247 178.332 176.094 -0.015 0.000 1.081 244 V CA 2.634 64.927 62.300 -0.012 0.000 1.070 244 V CB -1.012 30.805 31.823 -0.011 0.000 0.666 244 V HN 0.959 nan 8.190 nan 0.000 0.450 245 D N -1.200 119.188 120.400 -0.020 0.000 2.178 245 D HA -0.148 4.493 4.640 0.000 0.000 0.202 245 D C 2.319 178.604 176.300 -0.024 0.000 0.974 245 D CA 1.054 55.039 54.000 -0.024 0.000 0.841 245 D CB -0.141 40.643 40.800 -0.026 0.000 0.953 245 D HN 0.579 nan 8.370 nan 0.000 0.478 246 Q N -0.123 119.662 119.800 -0.025 0.000 1.994 246 Q HA -0.147 4.194 4.340 0.000 0.000 0.198 246 Q C 2.099 178.090 176.000 -0.016 0.000 0.976 246 Q CA 0.885 56.672 55.803 -0.027 0.000 0.828 246 Q CB -0.114 28.600 28.738 -0.041 0.000 0.894 246 Q HN 0.118 nan 8.270 nan 0.000 0.432 247 Q N 0.446 120.238 119.800 -0.014 0.000 2.181 247 Q HA -0.151 4.189 4.340 0.000 0.000 0.205 247 Q C 1.816 177.826 176.000 0.016 0.000 0.980 247 Q CA 2.022 57.825 55.803 0.000 0.000 0.862 247 Q CB -0.262 28.476 28.738 0.001 0.000 0.905 247 Q HN 0.332 nan 8.270 nan 0.000 0.429 248 T N 0.542 115.100 114.554 0.007 0.000 2.674 248 T HA -0.171 4.179 4.350 0.000 0.000 0.265 248 T C 1.565 176.287 174.700 0.036 0.000 1.039 248 T CA 1.285 63.393 62.100 0.014 0.000 1.150 248 T CB -0.465 68.393 68.868 -0.017 0.000 0.864 248 T HN 0.258 nan 8.240 nan 0.000 0.427 249 L N 1.005 122.237 121.223 0.015 0.000 2.012 249 L HA -0.002 4.338 4.340 0.000 0.000 0.210 249 L C 2.209 179.124 176.870 0.074 0.000 1.073 249 L CA 1.491 56.352 54.840 0.034 0.000 0.748 249 L CB -0.975 41.087 42.059 0.005 0.000 0.891 249 L HN 0.165 nan 8.230 nan 0.000 0.431 250 L N -0.288 120.961 121.223 0.044 0.000 1.989 250 L HA -0.233 4.107 4.340 0.000 0.000 0.211 250 L C 2.136 179.049 176.870 0.071 0.000 1.071 250 L CA 2.076 56.942 54.840 0.043 0.000 0.749 250 L CB -1.236 40.831 42.059 0.014 0.000 0.890 250 L HN 0.338 nan 8.230 nan 0.000 0.431 251 D N -1.486 118.959 120.400 0.075 0.000 2.104 251 D HA -0.277 4.363 4.640 0.000 0.000 0.194 251 D C 2.097 178.462 176.300 0.109 0.000 0.994 251 D CA 1.822 55.872 54.000 0.083 0.000 0.830 251 D CB -0.550 40.294 40.800 0.075 0.000 0.959 251 D HN 0.484 nan 8.370 nan 0.000 0.452 252 Y N 1.408 121.709 120.300 0.002 0.000 2.151 252 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 252 Y C 2.106 177.997 175.900 -0.016 0.000 1.166 252 Y CA 1.626 59.721 58.100 -0.010 0.000 1.163 252 Y CB -0.253 38.191 38.460 -0.026 0.000 0.974 252 Y HN 0.049 nan 8.280 nan 0.000 0.511 253 I N -3.219 117.397 120.570 0.077 0.000 2.406 253 I HA -0.149 4.022 4.170 0.000 0.000 0.249 253 I C 2.033 178.195 176.117 0.075 0.000 1.122 253 I CA 1.113 62.406 61.300 -0.011 0.000 1.431 253 I CB -0.922 37.097 38.000 0.031 0.000 1.087 253 I HN 0.028 nan 8.210 nan 0.000 0.424 254 M N 1.262 120.919 119.600 0.096 0.000 2.065 254 M HA -0.235 4.245 4.480 0.000 0.000 0.259 254 M C 2.237 178.619 176.300 0.136 0.000 1.069 254 M CA 1.980 57.370 55.300 0.148 0.000 1.110 254 M CB -1.518 31.147 32.600 0.108 0.000 1.328 254 M HN 0.535 nan 8.290 nan 0.000 0.405 255 D N -0.657 119.766 120.400 0.039 0.000 2.116 255 D HA -0.162 4.478 4.640 0.000 0.000 0.193 255 D C 1.960 178.243 176.300 -0.028 0.000 0.998 255 D CA 1.854 55.847 54.000 -0.012 0.000 0.836 255 D CB 0.120 40.876 40.800 -0.073 0.000 0.951 255 D HN 0.304 nan 8.370 nan 0.000 0.449 256 S N -1.522 114.116 115.700 -0.104 0.000 2.447 256 S HA -0.167 4.303 4.470 0.000 0.000 0.233 256 S C 1.780 176.524 174.600 0.240 0.000 1.006 256 S CA 0.456 58.602 58.200 -0.090 0.000 0.957 256 S CB -0.401 62.584 63.200 -0.359 0.000 0.773 256 S HN 0.376 nan 8.310 nan 0.000 0.507 257 Y N 2.156 122.588 120.300 0.220 0.000 2.130 257 Y HA 0.043 4.593 4.550 0.000 0.000 0.287 257 Y C 2.617 178.571 175.900 0.091 0.000 1.124 257 Y CA 1.650 59.931 58.100 0.302 0.000 1.118 257 Y CB -0.865 37.752 38.460 0.260 0.000 0.994 257 Y HN 0.242 nan 8.280 nan 0.000 0.497 258 S N 0.284 116.029 115.700 0.074 0.000 2.442 258 S HA -0.202 4.268 4.470 0.000 0.000 0.236 258 S C 1.944 176.507 174.600 -0.062 0.000 1.007 258 S CA 1.194 59.362 58.200 -0.052 0.000 0.965 258 S CB -0.350 62.858 63.200 0.014 0.000 0.773 258 S HN 0.391 nan 8.310 nan 0.000 0.504 259 K N 0.521 120.909 120.400 -0.020 0.000 2.173 259 K HA -0.137 4.183 4.320 0.000 0.000 0.207 259 K C 0.063 176.629 176.600 -0.057 0.000 1.046 259 K CA 1.129 57.396 56.287 -0.033 0.000 0.929 259 K CB 0.116 32.604 32.500 -0.021 0.000 0.720 259 K HN 0.232 nan 8.250 nan 0.000 0.453 260 Q N 0.551 120.298 119.800 -0.088 0.000 2.414 260 Q HA 0.207 4.547 4.340 0.000 0.000 0.256 260 Q C -1.273 174.621 176.000 -0.176 0.000 0.974 260 Q CA -0.330 55.406 55.803 -0.113 0.000 0.723 260 Q CB 1.969 30.648 28.738 -0.099 0.000 1.281 260 Q HN 0.033 nan 8.270 nan 0.000 0.470 261 R N 3.172 123.580 120.500 -0.153 0.000 2.423 261 R HA 0.228 4.568 4.340 0.000 0.000 0.293 261 R C 0.265 176.492 176.300 -0.123 0.000 1.196 261 R CA -0.869 55.128 56.100 -0.171 0.000 1.262 261 R CB 0.163 30.370 30.300 -0.156 0.000 1.116 261 R HN 0.687 nan 8.270 nan 0.000 0.566 262 M N 1.814 121.342 119.600 -0.119 0.000 2.136 262 M HA -0.178 4.302 4.480 0.000 0.000 0.194 262 M C -2.180 174.079 176.300 -0.068 0.000 0.337 262 M CA 0.219 55.471 55.300 -0.080 0.000 0.385 262 M CB -0.917 31.644 32.600 -0.066 0.000 1.066 262 M HN 0.243 nan 8.290 nan 0.000 0.943 263 P HA 0.097 nan 4.420 nan 0.000 0.271 263 P C -0.653 176.618 177.300 -0.048 0.000 1.238 263 P CA 0.439 63.505 63.100 -0.057 0.000 0.794 263 P CB 0.555 32.221 31.700 -0.057 0.000 0.959 264 Q N -0.315 119.460 119.800 -0.040 0.000 2.105 264 Q HA -0.079 4.261 4.340 0.000 0.000 0.284 264 Q C 0.842 176.822 176.000 -0.035 0.000 0.976 264 Q CA 0.182 55.964 55.803 -0.036 0.000 0.555 264 Q CB -1.341 27.375 28.738 -0.037 0.000 0.764 264 Q HN 0.575 nan 8.270 nan 0.000 0.325 265 E N 1.137 121.319 120.200 -0.031 0.000 2.130 265 E HA -0.180 4.170 4.350 0.000 0.000 0.196 265 E C 1.752 178.334 176.600 -0.031 0.000 0.998 265 E CA 1.676 58.058 56.400 -0.030 0.000 0.806 265 E CB -0.251 29.436 29.700 -0.023 0.000 0.738 265 E HN 0.842 nan 8.360 nan 0.000 0.459 266 I N -1.228 119.326 120.570 -0.028 0.000 2.761 266 I HA -0.223 3.947 4.170 0.000 0.000 0.266 266 I C 1.525 177.625 176.117 -0.029 0.000 1.239 266 I CA 1.318 62.602 61.300 -0.027 0.000 1.451 266 I CB -0.266 37.719 38.000 -0.026 0.000 1.096 266 I HN -0.125 nan 8.210 nan 0.000 0.465 267 T N 0.740 115.274 114.554 -0.034 0.000 3.234 267 T HA 0.075 4.426 4.350 0.000 0.000 0.235 267 T C 1.492 176.168 174.700 -0.040 0.000 0.971 267 T CA 0.817 62.896 62.100 -0.034 0.000 1.292 267 T CB -0.395 68.452 68.868 -0.035 0.000 0.994 267 T HN 0.401 nan 8.240 nan 0.000 0.412 268 N N 1.474 120.145 118.700 -0.049 0.000 2.182 268 N HA -0.169 4.571 4.740 0.000 0.000 0.192 268 N C 1.768 177.222 175.510 -0.093 0.000 1.007 268 N CA 1.024 54.030 53.050 -0.074 0.000 0.873 268 N CB -0.043 38.400 38.487 -0.075 0.000 0.998 268 N HN 0.363 nan 8.380 nan 0.000 0.436 269 K N 0.998 121.359 120.400 -0.064 0.000 2.031 269 K HA 0.032 4.352 4.320 0.000 0.000 0.205 269 K C 1.893 178.468 176.600 -0.041 0.000 1.049 269 K CA 0.714 56.967 56.287 -0.057 0.000 0.939 269 K CB -0.083 32.396 32.500 -0.035 0.000 0.717 269 K HN 0.164 nan 8.250 nan 0.000 0.438 270 I N 2.019 122.573 120.570 -0.027 0.000 2.761 270 I HA -0.238 3.932 4.170 0.000 0.000 0.266 270 I C 1.939 178.054 176.117 -0.003 0.000 1.239 270 I CA 0.634 61.930 61.300 -0.008 0.000 1.451 270 I CB -0.181 37.815 38.000 -0.007 0.000 1.096 270 I HN 0.247 nan 8.210 nan 0.000 0.465 271 L N 0.833 122.039 121.223 -0.029 0.000 2.554 271 L HA -0.013 4.327 4.340 0.000 0.000 0.226 271 L C 1.064 177.911 176.870 -0.038 0.000 1.137 271 L CA 1.525 56.347 54.840 -0.030 0.000 0.863 271 L CB -0.249 41.770 42.059 -0.066 0.000 0.985 271 L HN 0.282 nan 8.230 nan 0.000 0.451 272 K N -1.069 119.306 120.400 -0.041 0.000 2.609 272 K HA 0.149 4.469 4.320 0.000 0.000 0.195 272 K C 0.278 176.882 176.600 0.007 0.000 1.144 272 K CA -0.002 56.270 56.287 -0.024 0.000 1.084 272 K CB 1.078 33.539 32.500 -0.066 0.000 0.877 272 K HN -0.036 nan 8.250 nan 0.000 0.540 273 E N 0.258 120.469 120.200 0.017 0.000 2.555 273 E HA 0.095 4.445 4.350 0.000 0.000 0.209 273 E C -0.109 176.521 176.600 0.050 0.000 0.847 273 E CA 0.255 56.672 56.400 0.028 0.000 1.438 273 E CB 0.785 30.491 29.700 0.011 0.000 1.420 273 E HN 0.071 nan 8.360 nan 0.000 0.755 274 E N -0.006 120.231 120.200 0.063 0.000 2.376 274 E HA 0.095 4.445 4.350 0.000 0.000 0.254 274 E C -0.146 176.572 176.600 0.196 0.000 1.213 274 E CA -0.427 56.035 56.400 0.103 0.000 0.945 274 E CB 0.201 29.956 29.700 0.091 0.000 1.057 274 E HN 0.098 nan 8.360 nan 0.000 0.479 275 F N 0.985 120.950 119.950 0.026 0.000 2.629 275 F HA -0.155 4.372 4.527 0.000 0.000 0.377 275 F C 1.402 177.228 175.800 0.043 0.000 1.101 275 F CA 0.255 58.275 58.000 0.033 0.000 1.301 275 F CB 0.559 39.582 39.000 0.038 0.000 1.062 275 F HN 0.185 nan 8.300 nan 0.000 0.583 276 S N 5.349 121.073 115.700 0.040 0.000 2.849 276 S HA 0.445 4.915 4.470 0.000 0.000 0.244 276 S C 0.227 174.667 174.600 -0.267 0.000 1.297 276 S CA -0.151 58.004 58.200 -0.074 0.000 1.241 276 S CB -0.741 62.452 63.200 -0.011 0.000 0.958 276 S HN 0.718 nan 8.310 nan 0.000 0.489 277 A N 1.606 124.174 122.820 -0.421 0.000 3.369 277 A HA 0.507 4.827 4.320 0.000 0.000 0.186 277 A C 1.400 178.914 177.584 -0.116 0.000 1.849 277 A CA -0.093 51.686 52.037 -0.431 0.000 0.881 277 A CB -0.078 18.525 19.000 -0.662 0.000 1.850 277 A HN 0.510 nan 8.150 nan 0.000 0.656 278 E N -0.107 120.064 120.200 -0.049 0.000 2.427 278 E HA -0.109 4.241 4.350 0.000 0.000 0.196 278 E C 1.206 177.911 176.600 0.175 0.000 1.028 278 E CA 0.929 57.372 56.400 0.072 0.000 0.864 278 E CB -0.205 29.518 29.700 0.038 0.000 0.813 278 E HN 0.654 nan 8.360 nan 0.000 0.514 279 E N 0.931 121.218 120.200 0.144 0.000 2.273 279 E HA -0.173 4.177 4.350 0.000 0.000 0.198 279 E C 1.233 177.930 176.600 0.161 0.000 1.002 279 E CA 0.632 57.141 56.400 0.182 0.000 0.828 279 E CB -0.021 29.790 29.700 0.184 0.000 0.747 279 E HN 0.328 nan 8.360 nan 0.000 0.491 280 N N 0.282 119.076 118.700 0.157 0.000 2.334 280 N HA -0.185 4.556 4.740 0.000 0.000 0.187 280 N C 1.513 177.173 175.510 0.251 0.000 1.016 280 N CA 0.701 53.857 53.050 0.177 0.000 0.879 280 N CB -0.429 38.165 38.487 0.177 0.000 0.965 280 N HN 0.242 nan 8.380 nan 0.000 0.438 281 F N 1.990 122.010 119.950 0.116 0.000 2.039 281 F HA -0.052 4.475 4.527 0.000 0.000 0.294 281 F C 2.147 177.928 175.800 -0.032 0.000 1.130 281 F CA 1.036 59.067 58.000 0.051 0.000 1.189 281 F CB -0.737 38.224 39.000 -0.065 0.000 0.983 281 F HN -0.132 nan 8.300 nan 0.000 0.471 282 L N 0.324 121.454 121.223 -0.156 0.000 2.051 282 L HA -0.306 4.034 4.340 0.000 0.000 0.214 282 L C 2.570 179.319 176.870 -0.203 0.000 1.076 282 L CA 1.780 56.431 54.840 -0.316 0.000 0.758 282 L CB -0.915 41.035 42.059 -0.182 0.000 0.890 282 L HN 0.296 nan 8.230 nan 0.000 0.433 283 I N -0.504 120.030 120.570 -0.060 0.000 2.252 283 I HA -0.294 3.876 4.170 0.000 0.000 0.245 283 I C 2.439 178.559 176.117 0.005 0.000 1.102 283 I CA 1.277 62.569 61.300 -0.013 0.000 1.385 283 I CB -0.211 37.816 38.000 0.046 0.000 1.064 283 I HN 0.228 nan 8.210 nan 0.000 0.414 284 L N 0.287 121.546 121.223 0.059 0.000 2.093 284 L HA -0.175 4.165 4.340 0.000 0.000 0.208 284 L C 2.836 179.755 176.870 0.081 0.000 1.085 284 L CA 1.919 56.856 54.840 0.162 0.000 0.755 284 L CB -1.014 41.274 42.059 0.382 0.000 0.904 284 L HN 0.427 nan 8.230 nan 0.000 0.435 285 T N -3.287 111.170 114.554 -0.162 0.000 2.951 285 T HA -0.128 4.223 4.350 0.000 0.000 0.268 285 T C 1.575 176.189 174.700 -0.144 0.000 1.073 285 T CA 0.980 62.957 62.100 -0.205 0.000 1.134 285 T CB -0.061 68.448 68.868 -0.598 0.000 0.884 285 T HN 0.348 nan 8.240 nan 0.000 0.479 286 E N 0.542 120.657 120.200 -0.143 0.000 2.051 286 E HA 0.038 4.388 4.350 0.000 0.000 0.189 286 E C 2.322 178.890 176.600 -0.053 0.000 0.979 286 E CA 0.986 57.326 56.400 -0.100 0.000 0.803 286 E CB -0.228 29.416 29.700 -0.094 0.000 0.761 286 E HN 0.486 nan 8.360 nan 0.000 0.451 287 M N 0.714 120.302 119.600 -0.020 0.000 2.110 287 M HA -0.280 4.200 4.480 0.000 0.000 0.257 287 M C 2.536 178.851 176.300 0.025 0.000 1.071 287 M CA 1.831 57.137 55.300 0.011 0.000 1.096 287 M CB -0.467 32.160 32.600 0.045 0.000 1.300 287 M HN 0.163 nan 8.290 nan 0.000 0.411 288 A N -0.029 122.811 122.820 0.033 0.000 1.849 288 A HA -0.224 4.097 4.320 0.000 0.000 0.217 288 A C 2.143 179.683 177.584 -0.072 0.000 1.202 288 A CA 2.670 54.708 52.037 0.000 0.000 0.629 288 A CB -1.484 17.516 19.000 0.001 0.000 0.834 288 A HN 0.517 nan 8.150 nan 0.000 0.447 289 T N -0.275 114.203 114.554 -0.127 0.000 2.649 289 T HA -0.246 4.104 4.350 0.000 0.000 0.268 289 T C 2.245 176.896 174.700 -0.081 0.000 1.036 289 T CA 2.114 64.133 62.100 -0.136 0.000 1.157 289 T CB -0.555 68.246 68.868 -0.112 0.000 0.861 289 T HN 0.577 nan 8.240 nan 0.000 0.445 290 S N 0.177 115.848 115.700 -0.049 0.000 2.353 290 S HA -0.251 4.219 4.470 0.000 0.000 0.222 290 S C 2.034 176.611 174.600 -0.039 0.000 1.035 290 S CA 1.715 59.890 58.200 -0.043 0.000 1.025 290 S CB -0.643 62.537 63.200 -0.034 0.000 0.902 290 S HN 0.687 nan 8.310 nan 0.000 0.440 291 H N 0.709 119.725 119.070 -0.090 0.000 2.431 291 H HA -0.072 4.484 4.556 0.000 0.000 0.297 291 H C 2.010 177.281 175.328 -0.095 0.000 1.115 291 H CA 1.788 57.783 56.048 -0.088 0.000 1.277 291 H CB -0.488 29.234 29.762 -0.067 0.000 1.372 291 H HN 0.316 nan 8.280 nan 0.000 0.516 292 V N 1.147 121.063 119.914 0.004 0.000 2.221 292 V HA -0.266 3.854 4.120 0.000 0.000 0.240 292 V C 2.796 178.828 176.094 -0.103 0.000 1.041 292 V CA 2.099 64.369 62.300 -0.050 0.000 0.991 292 V CB -0.775 30.978 31.823 -0.117 0.000 0.634 292 V HN 0.429 nan 8.190 nan 0.000 0.450 293 Q N -0.533 119.213 119.800 -0.090 0.000 2.165 293 Q HA -0.310 4.030 4.340 0.000 0.000 0.215 293 Q C 2.112 178.056 176.000 -0.093 0.000 1.010 293 Q CA 2.812 58.569 55.803 -0.078 0.000 0.896 293 Q CB -0.351 28.346 28.738 -0.068 0.000 0.956 293 Q HN 0.680 nan 8.270 nan 0.000 0.413 294 I N 0.087 120.575 120.570 -0.138 0.000 2.315 294 I HA -0.267 3.903 4.170 0.000 0.000 0.248 294 I C 2.292 178.311 176.117 -0.163 0.000 1.117 294 I CA 0.414 61.618 61.300 -0.160 0.000 1.404 294 I CB -0.209 37.654 38.000 -0.227 0.000 1.071 294 I HN 0.297 nan 8.210 nan 0.000 0.419 295 L N 0.499 121.581 121.223 -0.236 0.000 2.017 295 L HA -0.164 4.176 4.340 0.000 0.000 0.208 295 L C 2.473 179.323 176.870 -0.034 0.000 1.073 295 L CA 1.812 56.551 54.840 -0.168 0.000 0.745 295 L CB -0.521 41.442 42.059 -0.160 0.000 0.894 295 L HN -0.008 nan 8.230 nan 0.000 0.432 296 V N -0.160 119.721 119.914 -0.054 0.000 2.282 296 V HA -0.294 3.826 4.120 0.000 0.000 0.249 296 V C 2.673 178.738 176.094 -0.049 0.000 1.057 296 V CA 1.960 64.228 62.300 -0.053 0.000 1.032 296 V CB -0.832 30.970 31.823 -0.036 0.000 0.645 296 V HN 0.466 nan 8.190 nan 0.000 0.447 297 E N -0.393 119.795 120.200 -0.021 0.000 2.077 297 E HA -0.229 4.121 4.350 0.000 0.000 0.193 297 E C 2.015 178.623 176.600 0.014 0.000 0.989 297 E CA 1.625 58.020 56.400 -0.010 0.000 0.800 297 E CB -0.431 29.263 29.700 -0.010 0.000 0.746 297 E HN 0.695 nan 8.360 nan 0.000 0.452 298 F N 1.980 121.866 119.950 -0.107 0.000 2.171 298 F HA -0.234 4.293 4.527 0.000 0.000 0.300 298 F C 2.520 178.252 175.800 -0.114 0.000 1.090 298 F CA 2.139 60.091 58.000 -0.080 0.000 1.293 298 F CB -0.252 38.727 39.000 -0.035 0.000 1.013 298 F HN 0.059 nan 8.300 nan 0.000 0.486 299 T N -0.501 114.055 114.554 0.003 0.000 2.668 299 T HA -0.258 4.092 4.350 0.000 0.000 0.262 299 T C 1.906 176.294 174.700 -0.520 0.000 1.045 299 T CA 1.443 63.345 62.100 -0.331 0.000 1.152 299 T CB -0.936 67.603 68.868 -0.548 0.000 0.864 299 T HN 0.504 nan 8.240 nan 0.000 0.419 300 K N 1.111 121.270 120.400 -0.400 0.000 2.520 300 K HA -0.069 4.251 4.320 0.000 0.000 0.197 300 K C 2.049 178.639 176.600 -0.016 0.000 1.044 300 K CA 1.033 57.237 56.287 -0.139 0.000 0.938 300 K CB -0.212 32.278 32.500 -0.017 0.000 0.767 300 K HN 0.306 nan 8.250 nan 0.000 0.481 301 R N 0.388 120.830 120.500 -0.096 0.000 2.509 301 R HA 0.197 4.537 4.340 0.000 0.000 0.300 301 R C -0.672 175.630 176.300 0.003 0.000 0.985 301 R CA -0.478 55.602 56.100 -0.034 0.000 1.092 301 R CB 0.440 30.653 30.300 -0.145 0.000 1.237 301 R HN 0.086 nan 8.270 nan 0.000 0.546 302 L N 1.642 122.841 121.223 -0.041 0.000 2.313 302 L HA 0.215 4.555 4.340 0.000 0.000 0.282 302 L C -1.447 175.493 176.870 0.116 0.000 1.092 302 L CA -1.990 52.852 54.840 0.003 0.000 0.831 302 L CB 0.952 43.020 42.059 0.014 0.000 1.159 302 L HN -0.129 nan 8.230 nan 0.000 0.442 303 P HA -0.288 nan 4.420 nan 0.000 0.224 303 P C 1.199 178.516 177.300 0.028 0.000 0.837 303 P CA 2.419 65.516 63.100 -0.005 0.000 1.060 303 P CB 0.149 31.831 31.700 -0.031 0.000 0.717 304 G N -3.429 105.402 108.800 0.051 0.000 2.539 304 G HA2 -0.160 3.800 3.960 0.000 0.000 0.215 304 G HA3 -0.160 3.800 3.960 0.000 0.000 0.215 304 G C 1.231 176.171 174.900 0.067 0.000 1.141 304 G CA 0.303 45.426 45.100 0.038 0.000 0.806 304 G HN 0.193 nan 8.290 nan 0.000 0.533 305 F N 1.628 121.583 119.950 0.008 0.000 2.065 305 F HA -0.384 4.143 4.527 0.001 0.000 0.288 305 F C 2.703 178.517 175.800 0.023 0.000 1.063 305 F CA 2.599 60.612 58.000 0.022 0.000 1.285 305 F CB -0.006 39.010 39.000 0.027 0.000 0.980 305 F HN 0.239 nan 8.300 nan 0.000 0.493 306 Q N -1.478 118.410 119.800 0.146 0.000 2.488 306 Q HA -0.097 4.243 4.340 0.000 0.000 0.211 306 Q C 1.897 177.867 176.000 -0.051 0.000 0.967 306 Q CA 1.304 57.148 55.803 0.069 0.000 0.926 306 Q CB -0.092 28.719 28.738 0.121 0.000 0.992 306 Q HN 0.442 nan 8.270 nan 0.000 0.506 307 T N 0.883 115.394 114.554 -0.072 0.000 2.851 307 T HA 0.024 4.374 4.350 0.000 0.000 0.262 307 T C 0.816 175.449 174.700 -0.111 0.000 1.043 307 T CA 0.210 62.265 62.100 -0.075 0.000 1.140 307 T CB -0.044 68.792 68.868 -0.053 0.000 0.872 307 T HN 0.139 nan 8.240 nan 0.000 0.446 308 L N 2.141 123.257 121.223 -0.180 0.000 2.517 308 L HA 0.036 4.376 4.340 0.000 0.000 0.294 308 L C 0.705 177.493 176.870 -0.137 0.000 1.264 308 L CA -0.368 54.362 54.840 -0.184 0.000 0.839 308 L CB -0.146 41.730 42.059 -0.306 0.000 1.098 308 L HN 0.281 nan 8.230 nan 0.000 0.525 309 D N -0.492 119.860 120.400 -0.080 0.000 2.443 309 D HA -0.107 4.533 4.640 0.000 0.000 0.234 309 D C 1.280 177.594 176.300 0.024 0.000 1.172 309 D CA 0.411 54.397 54.000 -0.023 0.000 0.878 309 D CB 0.544 41.341 40.800 -0.005 0.000 1.204 309 D HN 0.508 nan 8.370 nan 0.000 0.453 310 H N 1.024 120.064 119.070 -0.050 0.000 2.289 310 H HA -0.179 4.377 4.556 -0.000 0.000 0.296 310 H C 1.241 176.558 175.328 -0.018 0.000 1.091 310 H CA 1.492 57.522 56.048 -0.030 0.000 1.274 310 H CB 0.438 30.193 29.762 -0.011 0.000 1.364 310 H HN 0.504 nan 8.280 nan 0.000 0.490 311 E N 0.380 120.613 120.200 0.056 0.000 2.204 311 E HA -0.115 4.235 4.350 0.000 0.000 0.195 311 E C 1.372 177.980 176.600 0.014 0.000 0.990 311 E CA 1.037 57.427 56.400 -0.016 0.000 0.821 311 E CB -0.066 29.620 29.700 -0.023 0.000 0.750 311 E HN 0.515 nan 8.360 nan 0.000 0.477 312 D N -0.260 120.147 120.400 0.012 0.000 2.349 312 D HA -0.017 4.623 4.640 0.000 0.000 0.224 312 D C 1.362 177.660 176.300 -0.004 0.000 1.029 312 D CA 0.352 54.357 54.000 0.008 0.000 0.879 312 D CB 0.144 40.931 40.800 -0.022 0.000 0.906 312 D HN 0.269 nan 8.370 nan 0.000 0.528 313 Q N -0.308 119.495 119.800 0.006 0.000 2.107 313 Q HA 0.005 4.345 4.340 0.000 0.000 0.195 313 Q C 1.873 178.019 176.000 0.243 0.000 0.964 313 Q CA 0.280 56.135 55.803 0.087 0.000 0.833 313 Q CB 0.345 29.156 28.738 0.121 0.000 0.910 313 Q HN 0.199 nan 8.270 nan 0.000 0.465 314 I N 1.590 122.243 120.570 0.138 0.000 2.091 314 I HA -0.295 3.875 4.170 0.000 0.000 0.239 314 I C 2.496 178.691 176.117 0.130 0.000 1.061 314 I CA 1.725 63.089 61.300 0.106 0.000 1.317 314 I CB -1.597 36.412 38.000 0.015 0.000 1.031 314 I HN 0.156 nan 8.210 nan 0.000 0.401 315 A N 0.585 123.475 122.820 0.118 0.000 1.927 315 A HA -0.214 4.106 4.320 0.000 0.000 0.220 315 A C 2.416 180.099 177.584 0.166 0.000 1.185 315 A CA 1.730 53.861 52.037 0.157 0.000 0.639 315 A CB -0.964 18.135 19.000 0.165 0.000 0.820 315 A HN 0.472 nan 8.150 nan 0.000 0.451 316 L N -0.925 120.408 121.223 0.182 0.000 2.240 316 L HA -0.060 4.280 4.340 0.000 0.000 0.211 316 L C 2.485 179.489 176.870 0.223 0.000 1.106 316 L CA 0.189 55.160 54.840 0.217 0.000 0.793 316 L CB -0.255 41.983 42.059 0.297 0.000 0.927 316 L HN 0.394 nan 8.230 nan 0.000 0.446 317 L N 0.271 121.627 121.223 0.222 0.000 1.982 317 L HA -0.156 4.184 4.340 0.000 0.000 0.206 317 L C 2.450 179.397 176.870 0.129 0.000 1.078 317 L CA 1.788 56.725 54.840 0.161 0.000 0.749 317 L CB -0.633 41.514 42.059 0.146 0.000 0.894 317 L HN 0.196 nan 8.230 nan 0.000 0.436 318 K N -0.187 120.288 120.400 0.126 0.000 2.000 318 K HA -0.209 4.111 4.320 0.000 0.000 0.218 318 K C 1.736 178.410 176.600 0.124 0.000 1.053 318 K CA 1.638 58.001 56.287 0.126 0.000 0.946 318 K CB -0.926 31.652 32.500 0.128 0.000 0.723 318 K HN 0.530 nan 8.250 nan 0.000 0.446 319 G N -0.068 108.805 108.800 0.121 0.000 2.601 319 G HA2 -0.235 3.725 3.960 0.000 0.000 0.214 319 G HA3 -0.235 3.725 3.960 0.000 0.000 0.214 319 G C 1.302 176.257 174.900 0.091 0.000 1.132 319 G CA 1.158 46.315 45.100 0.095 0.000 0.761 319 G HN 0.293 nan 8.290 nan 0.000 0.550 320 S N -1.555 114.208 115.700 0.104 0.000 2.631 320 S HA 0.486 4.956 4.470 0.000 0.000 0.246 320 S C 2.422 177.077 174.600 0.093 0.000 1.068 320 S CA 1.004 59.266 58.200 0.102 0.000 0.995 320 S CB -0.076 63.197 63.200 0.121 0.000 0.944 320 S HN 0.525 nan 8.310 nan 0.000 0.529 321 A N 2.308 125.189 122.820 0.101 0.000 1.912 321 A HA -0.186 4.134 4.320 0.000 0.000 0.217 321 A C 2.307 179.925 177.584 0.057 0.000 1.309 321 A CA 2.933 55.038 52.037 0.113 0.000 0.726 321 A CB -1.848 17.245 19.000 0.155 0.000 0.840 321 A HN 1.174 nan 8.150 nan 0.000 0.473 322 V N -1.289 118.615 119.914 -0.016 0.000 2.277 322 V HA -0.377 3.743 4.120 0.000 0.000 0.253 322 V C 1.996 177.795 176.094 -0.491 0.000 1.067 322 V CA 2.974 65.026 62.300 -0.414 0.000 1.047 322 V CB -1.485 29.892 31.823 -0.743 0.000 0.649 322 V HN 0.701 nan 8.190 nan 0.000 0.447 323 E N 1.379 121.503 120.200 -0.128 0.000 2.077 323 E HA -0.150 4.200 4.350 0.000 0.000 0.193 323 E C 2.450 179.144 176.600 0.158 0.000 0.989 323 E CA 1.412 57.886 56.400 0.123 0.000 0.800 323 E CB -0.495 29.301 29.700 0.160 0.000 0.746 323 E HN 0.779 nan 8.360 nan 0.000 0.452 324 A N 2.517 125.399 122.820 0.103 0.000 1.835 324 A HA -0.218 4.102 4.320 0.000 0.000 0.215 324 A C 2.233 179.904 177.584 0.145 0.000 1.199 324 A CA 1.640 53.769 52.037 0.152 0.000 0.615 324 A CB -0.685 18.415 19.000 0.166 0.000 0.838 324 A HN 0.214 nan 8.150 nan 0.000 0.444 325 M N -0.758 118.851 119.600 0.016 0.000 2.103 325 M HA -0.214 4.266 4.480 0.000 0.000 0.255 325 M C 2.076 178.378 176.300 0.004 0.000 1.074 325 M CA 2.015 57.175 55.300 -0.234 0.000 1.090 325 M CB -0.867 31.544 32.600 -0.315 0.000 1.325 325 M HN 0.522 nan 8.290 nan 0.000 0.403 326 F N -0.015 120.019 119.950 0.139 0.000 2.095 326 F HA -0.290 4.237 4.527 0.000 0.000 0.298 326 F C 2.478 178.409 175.800 0.218 0.000 1.104 326 F CA 0.706 58.856 58.000 0.251 0.000 1.232 326 F CB -0.404 38.835 39.000 0.398 0.000 0.987 326 F HN 0.173 nan 8.300 nan 0.000 0.475 327 L N -0.074 121.400 121.223 0.418 0.000 2.131 327 L HA -0.243 4.098 4.340 0.000 0.000 0.210 327 L C 2.619 179.648 176.870 0.265 0.000 1.092 327 L CA 0.954 55.995 54.840 0.335 0.000 0.759 327 L CB -0.283 41.950 42.059 0.290 0.000 0.903 327 L HN 0.082 nan 8.230 nan 0.000 0.435 328 R N -0.066 120.541 120.500 0.179 0.000 2.062 328 R HA -0.117 4.223 4.340 0.000 0.000 0.231 328 R C 2.337 178.583 176.300 -0.091 0.000 1.136 328 R CA 2.121 58.270 56.100 0.082 0.000 0.948 328 R CB -0.844 29.520 30.300 0.108 0.000 0.845 328 R HN 0.169 nan 8.270 nan 0.000 0.430 329 S N 0.578 116.186 115.700 -0.153 0.000 2.368 329 S HA -0.247 4.223 4.470 0.000 0.000 0.226 329 S C 2.002 176.311 174.600 -0.485 0.000 1.044 329 S CA 1.592 59.561 58.200 -0.385 0.000 1.062 329 S CB -0.776 62.126 63.200 -0.496 0.000 0.931 329 S HN 0.589 nan 8.310 nan 0.000 0.440 330 A N 0.825 123.385 122.820 -0.434 0.000 1.997 330 A HA -0.233 4.087 4.320 0.000 0.000 0.221 330 A C 2.053 179.590 177.584 -0.079 0.000 1.172 330 A CA 1.911 53.818 52.037 -0.217 0.000 0.645 330 A CB -0.521 18.478 19.000 -0.001 0.000 0.813 330 A HN 0.624 nan 8.150 nan 0.000 0.454 331 E N -0.581 119.517 120.200 -0.170 0.000 2.021 331 E HA -0.091 4.259 4.350 0.000 0.000 0.189 331 E C 1.888 178.312 176.600 -0.293 0.000 0.980 331 E CA 0.703 56.868 56.400 -0.391 0.000 0.803 331 E CB -0.118 29.201 29.700 -0.635 0.000 0.766 331 E HN 0.460 nan 8.360 nan 0.000 0.449 332 I N 1.182 121.543 120.570 -0.348 0.000 2.065 332 I HA -0.295 3.875 4.170 0.000 0.000 0.236 332 I C 1.319 177.218 176.117 -0.364 0.000 1.028 332 I CA 1.449 62.496 61.300 -0.422 0.000 1.299 332 I CB -1.498 36.089 38.000 -0.688 0.000 1.015 332 I HN 0.003 nan 8.210 nan 0.000 0.396 333 F N 0.981 120.880 119.950 -0.085 0.000 2.485 333 F HA 0.073 4.600 4.527 0.000 0.000 0.327 333 F C 1.816 177.605 175.800 -0.018 0.000 1.203 333 F CA 0.483 58.487 58.000 0.006 0.000 1.295 333 F CB -0.133 38.905 39.000 0.064 0.000 1.191 333 F HN 0.231 nan 8.300 nan 0.000 0.588 334 N N -0.185 118.649 118.700 0.224 0.000 2.857 334 N HA -0.267 4.473 4.740 0.000 0.000 0.242 334 N C 0.232 175.770 175.510 0.047 0.000 0.983 334 N CA 0.941 54.064 53.050 0.122 0.000 0.934 334 N CB -0.684 37.872 38.487 0.116 0.000 1.115 334 N HN 0.583 nan 8.380 nan 0.000 0.593 335 K N 2.074 122.477 120.400 0.004 0.000 2.457 335 K HA -0.094 4.226 4.320 0.000 0.000 0.269 335 K C 1.711 178.298 176.600 -0.022 0.000 0.969 335 K CA 1.026 57.282 56.287 -0.052 0.000 0.921 335 K CB 0.384 32.836 32.500 -0.079 0.000 0.940 335 K HN 0.303 nan 8.250 nan 0.000 0.517 336 K N 2.482 122.861 120.400 -0.035 0.000 2.242 336 K HA -0.233 4.087 4.320 0.000 0.000 0.206 336 K C 0.984 177.574 176.600 -0.017 0.000 1.045 336 K CA 1.706 57.981 56.287 -0.019 0.000 0.930 336 K CB -0.217 32.267 32.500 -0.026 0.000 0.726 336 K HN 0.510 nan 8.250 nan 0.000 0.462 337 L N -2.590 118.616 121.223 -0.028 0.000 1.884 337 L HA -0.104 4.236 4.340 0.000 0.000 0.500 337 L C -2.193 174.635 176.870 -0.070 0.000 0.723 337 L CA 0.767 55.588 54.840 -0.031 0.000 3.153 337 L CB -2.369 39.679 42.059 -0.019 0.000 0.738 337 L HN 0.095 nan 8.230 nan 0.000 0.751 338 P HA 0.179 nan 4.420 nan 0.000 0.265 338 P C 0.611 177.820 177.300 -0.151 0.000 1.151 338 P CA 2.689 65.732 63.100 -0.094 0.000 0.755 338 P CB 0.216 31.877 31.700 -0.064 0.000 0.756 339 A N 2.552 125.232 122.820 -0.233 0.000 3.585 339 A HA 0.036 4.356 4.320 0.000 0.000 0.217 339 A C 1.792 178.855 177.584 -0.867 0.000 0.886 339 A CA 1.103 52.857 52.037 -0.471 0.000 1.941 339 A CB -2.289 16.528 19.000 -0.304 0.000 0.742 339 A HN 1.104 nan 8.150 nan 0.000 0.694 340 G N -0.629 107.917 108.800 -0.423 0.000 2.343 340 G HA2 -0.344 3.616 3.960 0.000 0.000 0.264 340 G HA3 -0.344 3.616 3.960 0.000 0.000 0.264 340 G C 0.308 175.100 174.900 -0.180 0.000 0.989 340 G CA 1.839 46.780 45.100 -0.266 0.000 0.627 340 G HN 2.527 nan 8.290 nan 0.000 0.549 341 H N -0.921 118.162 119.070 0.021 0.000 2.577 341 H HA 0.816 5.372 4.556 0.000 0.000 0.306 341 H C 1.651 177.012 175.328 0.055 0.000 1.109 341 H CA 0.552 56.621 56.048 0.035 0.000 1.063 341 H CB -0.408 29.372 29.762 0.029 0.000 1.535 341 H HN 0.417 nan 8.280 nan 0.000 0.532 342 A N 0.934 123.854 122.820 0.166 0.000 1.841 342 A HA -0.175 4.146 4.320 0.000 0.000 0.214 342 A C 1.873 179.624 177.584 0.277 0.000 1.195 342 A CA 1.357 53.519 52.037 0.207 0.000 0.611 342 A CB -0.348 18.772 19.000 0.201 0.000 0.835 342 A HN 0.459 nan 8.150 nan 0.000 0.443 343 D N -0.261 120.260 120.400 0.201 0.000 2.218 343 D HA -0.221 4.419 4.640 0.000 0.000 0.194 343 D C 1.756 178.141 176.300 0.142 0.000 1.007 343 D CA 1.815 55.903 54.000 0.146 0.000 0.879 343 D CB -0.414 40.439 40.800 0.088 0.000 0.918 343 D HN 0.391 nan 8.370 nan 0.000 0.449 344 L N 0.513 121.832 121.223 0.159 0.000 2.072 344 L HA -0.062 4.278 4.340 0.000 0.000 0.205 344 L C 2.143 179.105 176.870 0.153 0.000 1.079 344 L CA 1.169 56.088 54.840 0.133 0.000 0.752 344 L CB -0.651 41.484 42.059 0.126 0.000 0.906 344 L HN -0.004 nan 8.230 nan 0.000 0.436 345 L N -0.027 121.323 121.223 0.211 0.000 2.017 345 L HA -0.197 4.143 4.340 0.000 0.000 0.208 345 L C 2.482 179.568 176.870 0.360 0.000 1.073 345 L CA 2.250 57.248 54.840 0.264 0.000 0.745 345 L CB -0.910 41.307 42.059 0.263 0.000 0.894 345 L HN 0.568 nan 8.230 nan 0.000 0.432 346 E N -0.372 120.098 120.200 0.451 0.000 2.033 346 E HA -0.347 4.003 4.350 0.000 0.000 0.199 346 E C 2.143 178.771 176.600 0.047 0.000 1.011 346 E CA 1.957 58.487 56.400 0.218 0.000 0.815 346 E CB -0.370 29.322 29.700 -0.013 0.000 0.755 346 E HN 0.662 nan 8.360 nan 0.000 0.451 347 E N 0.038 120.257 120.200 0.032 0.000 2.065 347 E HA -0.268 4.083 4.350 0.000 0.000 0.201 347 E C 2.297 178.926 176.600 0.047 0.000 1.016 347 E CA 1.645 58.049 56.400 0.006 0.000 0.818 347 E CB -0.032 29.680 29.700 0.021 0.000 0.749 347 E HN 0.222 nan 8.360 nan 0.000 0.453 348 R N -0.076 120.480 120.500 0.095 0.000 2.139 348 R HA -0.166 4.175 4.340 0.000 0.000 0.243 348 R C 2.426 178.817 176.300 0.152 0.000 1.145 348 R CA 1.268 57.436 56.100 0.113 0.000 0.976 348 R CB -0.366 30.012 30.300 0.130 0.000 0.866 348 R HN 0.354 nan 8.270 nan 0.000 0.449 349 I N 0.194 120.870 120.570 0.177 0.000 2.202 349 I HA -0.217 3.953 4.170 0.000 0.000 0.242 349 I C 2.014 178.207 176.117 0.126 0.000 1.091 349 I CA 1.072 62.499 61.300 0.212 0.000 1.368 349 I CB -0.149 38.014 38.000 0.272 0.000 1.058 349 I HN 0.014 nan 8.210 nan 0.000 0.410 350 R N 1.007 121.531 120.500 0.040 0.000 2.386 350 R HA -0.044 4.297 4.340 0.000 0.000 0.216 350 R C 0.512 176.818 176.300 0.011 0.000 1.119 350 R CA 0.449 56.541 56.100 -0.013 0.000 1.158 350 R CB -0.103 30.138 30.300 -0.098 0.000 1.057 350 R HN 0.150 nan 8.270 nan 0.000 0.489 351 K N -0.441 119.994 120.400 0.057 0.000 3.099 351 K HA 0.117 4.437 4.320 0.000 0.000 0.197 351 K C -1.202 175.464 176.600 0.110 0.000 1.114 351 K CA -0.124 56.195 56.287 0.054 0.000 1.024 351 K CB 0.909 33.424 32.500 0.025 0.000 0.711 351 K HN -0.058 nan 8.250 nan 0.000 0.432 352 S N -1.702 114.100 115.700 0.170 0.000 2.638 352 S HA 0.498 4.968 4.470 0.000 0.000 0.302 352 S C 0.592 175.359 174.600 0.279 0.000 1.096 352 S CA -0.477 57.911 58.200 0.312 0.000 0.953 352 S CB 1.375 64.879 63.200 0.506 0.000 1.107 352 S HN 0.345 nan 8.310 nan 0.000 0.503 353 G N 2.199 111.238 108.800 0.398 0.000 3.327 353 G HA2 0.190 4.150 3.960 0.000 0.000 0.218 353 G HA3 0.190 4.150 3.960 0.000 0.000 0.218 353 G C 0.300 175.294 174.900 0.158 0.000 1.261 353 G CA 0.278 45.550 45.100 0.286 0.000 1.438 353 G HN 0.767 nan 8.290 nan 0.000 0.530 354 I N -2.393 118.149 120.570 -0.046 0.000 2.406 354 I HA 0.580 4.750 4.170 0.000 0.000 0.290 354 I C -0.076 175.998 176.117 -0.071 0.000 0.999 354 I CA -0.775 60.388 61.300 -0.229 0.000 1.124 354 I CB 1.896 39.592 38.000 -0.507 0.000 1.289 354 I HN -0.176 nan 8.210 nan 0.000 0.441 355 S N 4.084 119.757 115.700 -0.046 0.000 2.569 355 S HA -0.001 4.469 4.470 0.000 0.000 0.274 355 S C 0.472 175.075 174.600 0.003 0.000 1.353 355 S CA -0.079 58.114 58.200 -0.011 0.000 1.023 355 S CB 0.558 63.753 63.200 -0.007 0.000 0.876 355 S HN 0.747 nan 8.310 nan 0.000 0.540 356 D N 0.718 121.107 120.400 -0.017 0.000 2.355 356 D HA 0.000 4.640 4.640 0.000 0.000 0.218 356 D C 1.584 177.858 176.300 -0.043 0.000 1.004 356 D CA 0.326 54.302 54.000 -0.039 0.000 0.880 356 D CB -0.052 40.718 40.800 -0.051 0.000 0.911 356 D HN 0.706 nan 8.370 nan 0.000 0.528 357 E N -0.482 119.707 120.200 -0.018 0.000 2.072 357 E HA -0.229 4.121 4.350 0.000 0.000 0.191 357 E C 1.555 178.141 176.600 -0.024 0.000 0.985 357 E CA 0.729 57.114 56.400 -0.025 0.000 0.801 357 E CB -0.024 29.672 29.700 -0.007 0.000 0.750 357 E HN 0.308 nan 8.360 nan 0.000 0.452 358 Y N 0.824 121.043 120.300 -0.135 0.000 2.243 358 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 358 Y C 1.862 177.660 175.900 -0.170 0.000 1.124 358 Y CA 1.157 59.158 58.100 -0.165 0.000 1.159 358 Y CB -0.039 38.331 38.460 -0.151 0.000 1.008 358 Y HN 0.021 nan 8.280 nan 0.000 0.527 359 I N -0.762 119.719 120.570 -0.149 0.000 2.133 359 I HA -0.328 3.842 4.170 0.000 0.000 0.238 359 I C 2.154 178.182 176.117 -0.149 0.000 1.074 359 I CA 1.859 63.063 61.300 -0.159 0.000 1.342 359 I CB -0.876 37.090 38.000 -0.056 0.000 1.053 359 I HN 0.139 nan 8.210 nan 0.000 0.404 360 T N 1.805 116.277 114.554 -0.137 0.000 2.653 360 T HA -0.129 4.221 4.350 0.000 0.000 0.268 360 T C -0.381 174.221 174.700 -0.162 0.000 1.035 360 T CA 1.941 63.967 62.100 -0.123 0.000 1.154 360 T CB -1.558 67.245 68.868 -0.107 0.000 0.862 360 T HN 0.370 nan 8.240 nan 0.000 0.441 361 P HA -0.048 nan 4.420 nan 0.000 0.216 361 P C 1.673 178.701 177.300 -0.454 0.000 1.153 361 P CA 1.129 64.057 63.100 -0.286 0.000 0.848 361 P CB -0.144 31.378 31.700 -0.297 0.000 0.787 362 M N -1.122 118.059 119.600 -0.699 0.000 2.065 362 M HA -0.124 4.356 4.480 0.000 0.000 0.259 362 M C 2.300 177.883 176.300 -1.195 0.000 1.069 362 M CA 1.681 56.297 55.300 -1.139 0.000 1.110 362 M CB -1.891 29.954 32.600 -1.258 0.000 1.328 362 M HN -0.107 nan 8.290 nan 0.000 0.405 363 F N 0.524 120.034 119.950 -0.734 0.000 2.451 363 F HA -0.114 4.414 4.527 0.000 0.000 0.299 363 F C 2.541 178.178 175.800 -0.272 0.000 1.101 363 F CA 0.913 58.635 58.000 -0.464 0.000 1.436 363 F CB -0.678 38.138 39.000 -0.308 0.000 1.074 363 F HN 0.160 nan 8.300 nan 0.000 0.553 364 S N -0.157 115.457 115.700 -0.143 0.000 2.383 364 S HA -0.168 4.302 4.470 0.000 0.000 0.227 364 S C 1.814 176.396 174.600 -0.030 0.000 1.026 364 S CA 0.877 59.041 58.200 -0.060 0.000 0.981 364 S CB -0.588 62.574 63.200 -0.064 0.000 0.818 364 S HN 0.378 nan 8.310 nan 0.000 0.472 365 F N 2.047 121.808 119.950 -0.315 0.000 2.014 365 F HA -0.097 4.430 4.527 0.000 0.000 0.295 365 F C 1.965 177.736 175.800 -0.048 0.000 1.145 365 F CA 1.080 58.945 58.000 -0.224 0.000 1.178 365 F CB -1.203 37.489 39.000 -0.514 0.000 0.972 365 F HN 0.233 nan 8.300 nan 0.000 0.476 366 Y N 0.297 120.370 120.300 -0.378 0.000 2.062 366 Y HA -0.402 4.148 4.550 0.000 0.000 0.276 366 Y C 2.742 178.512 175.900 -0.216 0.000 1.189 366 Y CA 1.518 59.392 58.100 -0.376 0.000 1.130 366 Y CB -0.690 37.579 38.460 -0.318 0.000 0.959 366 Y HN 0.126 nan 8.280 nan 0.000 0.499 367 K N 0.063 120.495 120.400 0.054 0.000 2.063 367 K HA -0.210 4.110 4.320 0.000 0.000 0.208 367 K C 2.534 179.137 176.600 0.005 0.000 1.048 367 K CA 1.477 57.797 56.287 0.055 0.000 0.928 367 K CB -0.261 32.276 32.500 0.062 0.000 0.713 367 K HN 0.083 nan 8.250 nan 0.000 0.442 368 S N -0.305 115.375 115.700 -0.034 0.000 2.368 368 S HA -0.091 4.379 4.470 0.000 0.000 0.224 368 S C 1.861 176.416 174.600 -0.075 0.000 1.029 368 S CA 1.175 59.358 58.200 -0.029 0.000 0.988 368 S CB -0.165 63.047 63.200 0.022 0.000 0.838 368 S HN 0.199 nan 8.310 nan 0.000 0.462 369 V N 1.698 121.489 119.914 -0.205 0.000 2.255 369 V HA -0.140 3.980 4.120 0.000 0.000 0.247 369 V C 2.750 178.812 176.094 -0.052 0.000 1.051 369 V CA 1.992 64.171 62.300 -0.202 0.000 1.018 369 V CB -1.615 29.991 31.823 -0.362 0.000 0.641 369 V HN 0.635 nan 8.190 nan 0.000 0.445 370 G N -0.989 107.811 108.800 -0.000 0.000 2.532 370 G HA2 -0.336 3.624 3.960 0.000 0.000 0.222 370 G HA3 -0.336 3.624 3.960 0.000 0.000 0.222 370 G C 1.468 176.403 174.900 0.058 0.000 1.102 370 G CA 1.064 46.206 45.100 0.070 0.000 0.742 370 G HN 0.621 nan 8.290 nan 0.000 0.577 371 E N -0.403 119.813 120.200 0.026 0.000 2.204 371 E HA 0.020 4.370 4.350 0.000 0.000 0.194 371 E C 1.308 177.928 176.600 0.034 0.000 0.989 371 E CA 0.136 56.553 56.400 0.028 0.000 0.824 371 E CB -0.146 29.561 29.700 0.012 0.000 0.756 371 E HN 0.429 nan 8.360 nan 0.000 0.477 372 L N 1.920 123.156 121.223 0.022 0.000 2.998 372 L HA 0.146 4.486 4.340 0.000 0.000 0.234 372 L C -0.140 176.801 176.870 0.117 0.000 1.350 372 L CA -0.239 54.619 54.840 0.030 0.000 1.202 372 L CB -0.137 41.881 42.059 -0.068 0.000 1.583 372 L HN -0.111 nan 8.230 nan 0.000 0.456 373 K N 2.207 122.679 120.400 0.121 0.000 2.290 373 K HA -0.147 4.173 4.320 0.000 0.000 0.237 373 K C -0.042 176.672 176.600 0.190 0.000 1.358 373 K CA 0.696 57.070 56.287 0.145 0.000 1.371 373 K CB -0.388 32.177 32.500 0.109 0.000 0.826 373 K HN 0.459 nan 8.250 nan 0.000 0.512 374 M N 2.115 121.852 119.600 0.229 0.000 2.162 374 M HA 0.029 4.509 4.480 0.000 0.000 0.356 374 M C 1.052 177.560 176.300 0.345 0.000 1.303 374 M CA -0.324 55.114 55.300 0.230 0.000 1.116 374 M CB 0.652 33.219 32.600 -0.054 0.000 1.632 374 M HN 0.421 nan 8.290 nan 0.000 0.469 375 T N -0.932 113.777 114.554 0.258 0.000 2.795 375 T HA -0.005 4.345 4.350 0.000 0.000 0.314 375 T C 0.892 175.794 174.700 0.338 0.000 1.069 375 T CA -0.289 61.962 62.100 0.252 0.000 1.071 375 T CB 1.147 70.165 68.868 0.251 0.000 0.988 375 T HN 0.809 nan 8.240 nan 0.000 0.543 376 Q N 0.271 120.230 119.800 0.265 0.000 2.167 376 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 376 Q C 2.249 178.400 176.000 0.252 0.000 0.970 376 Q CA 1.688 57.661 55.803 0.284 0.000 0.855 376 Q CB -0.064 28.791 28.738 0.195 0.000 0.911 376 Q HN 0.931 nan 8.270 nan 0.000 0.438 377 E N 0.295 120.605 120.200 0.184 0.000 2.051 377 E HA -0.241 4.109 4.350 0.000 0.000 0.192 377 E C 1.619 178.258 176.600 0.065 0.000 0.991 377 E CA 1.241 57.705 56.400 0.106 0.000 0.799 377 E CB -0.428 29.323 29.700 0.087 0.000 0.748 377 E HN 0.456 nan 8.360 nan 0.000 0.449 378 E N 0.567 120.822 120.200 0.092 0.000 2.033 378 E HA -0.225 4.125 4.350 0.000 0.000 0.199 378 E C 2.030 178.618 176.600 -0.019 0.000 1.011 378 E CA 1.765 58.186 56.400 0.034 0.000 0.815 378 E CB -0.448 29.274 29.700 0.038 0.000 0.755 378 E HN 0.312 nan 8.360 nan 0.000 0.451 379 Y N 0.650 120.949 120.300 -0.000 0.000 2.102 379 Y HA -0.330 4.220 4.550 0.000 0.000 0.280 379 Y C 2.500 178.231 175.900 -0.282 0.000 1.178 379 Y CA 1.423 59.494 58.100 -0.049 0.000 1.146 379 Y CB -0.640 37.852 38.460 0.054 0.000 0.968 379 Y HN 0.093 nan 8.280 nan 0.000 0.504 380 A N 0.057 122.653 122.820 -0.373 0.000 1.865 380 A HA -0.202 4.118 4.320 0.000 0.000 0.217 380 A C 2.288 179.758 177.584 -0.191 0.000 1.191 380 A CA 1.934 53.539 52.037 -0.720 0.000 0.623 380 A CB -1.185 17.516 19.000 -0.497 0.000 0.826 380 A HN 0.464 nan 8.150 nan 0.000 0.444 381 L N -0.745 120.438 121.223 -0.066 0.000 1.943 381 L HA -0.236 4.104 4.340 0.000 0.000 0.215 381 L C 2.679 179.574 176.870 0.042 0.000 1.074 381 L CA 1.624 56.475 54.840 0.018 0.000 0.759 381 L CB -0.823 41.250 42.059 0.023 0.000 0.888 381 L HN 0.401 nan 8.230 nan 0.000 0.433 382 L N -0.597 120.638 121.223 0.020 0.000 2.010 382 L HA -0.322 4.018 4.340 0.000 0.000 0.219 382 L C 2.661 179.568 176.870 0.061 0.000 1.077 382 L CA 2.137 56.999 54.840 0.037 0.000 0.773 382 L CB -1.233 40.819 42.059 -0.011 0.000 0.892 382 L HN 0.396 nan 8.230 nan 0.000 0.436 383 T N -0.364 114.208 114.554 0.031 0.000 2.737 383 T HA -0.256 4.094 4.350 0.000 0.000 0.269 383 T C 1.885 176.676 174.700 0.152 0.000 1.040 383 T CA 1.478 63.612 62.100 0.055 0.000 1.142 383 T CB -0.343 68.473 68.868 -0.086 0.000 0.861 383 T HN 0.522 nan 8.240 nan 0.000 0.456 384 A N 1.339 124.287 122.820 0.212 0.000 1.855 384 A HA 0.106 4.426 4.320 0.000 0.000 0.213 384 A C 2.285 179.971 177.584 0.171 0.000 1.195 384 A CA 0.862 53.056 52.037 0.263 0.000 0.610 384 A CB -0.701 18.430 19.000 0.218 0.000 0.837 384 A HN 0.498 nan 8.150 nan 0.000 0.444 385 I N 0.073 120.722 120.570 0.132 0.000 2.381 385 I HA -0.252 3.918 4.170 0.000 0.000 0.255 385 I C 2.125 178.310 176.117 0.112 0.000 1.140 385 I CA 1.185 62.554 61.300 0.114 0.000 1.404 385 I CB -0.404 37.659 38.000 0.104 0.000 1.075 385 I HN 0.151 nan 8.210 nan 0.000 0.433 386 V N 0.985 120.971 119.914 0.120 0.000 2.535 386 V HA -0.140 3.980 4.120 0.000 0.000 0.246 386 V C 2.207 178.380 176.094 0.132 0.000 1.045 386 V CA 1.278 63.648 62.300 0.117 0.000 1.058 386 V CB -0.096 31.800 31.823 0.121 0.000 0.689 386 V HN 0.311 nan 8.190 nan 0.000 0.461 387 I N -0.346 120.318 120.570 0.157 0.000 2.439 387 I HA -0.097 4.073 4.170 0.000 0.000 0.251 387 I C 0.906 177.140 176.117 0.195 0.000 1.139 387 I CA 0.846 62.250 61.300 0.174 0.000 1.438 387 I CB -0.126 37.987 38.000 0.187 0.000 1.085 387 I HN 0.223 nan 8.210 nan 0.000 0.427 388 L N 1.409 122.738 121.223 0.177 0.000 2.865 388 L HA 0.251 4.591 4.340 0.000 0.000 0.233 388 L C 0.153 177.095 176.870 0.119 0.000 1.320 388 L CA 0.227 55.165 54.840 0.164 0.000 1.225 388 L CB -0.647 41.503 42.059 0.152 0.000 1.542 388 L HN -0.063 nan 8.230 nan 0.000 0.432 389 S N 2.532 118.298 115.700 0.111 0.000 2.420 389 S HA 0.317 4.787 4.470 0.000 0.000 0.313 389 S C -1.200 173.441 174.600 0.067 0.000 1.079 389 S CA -0.819 57.429 58.200 0.080 0.000 1.104 389 S CB 1.377 64.620 63.200 0.071 0.000 0.969 389 S HN 0.292 nan 8.310 nan 0.000 0.471 390 P HA -0.093 nan 4.420 nan 0.000 0.216 390 P C -0.065 177.254 177.300 0.032 0.000 1.150 390 P CA 1.060 64.185 63.100 0.041 0.000 0.837 390 P CB 0.113 31.834 31.700 0.035 0.000 0.786 391 D N 0.459 120.874 120.400 0.025 0.000 3.168 391 D HA 0.141 4.782 4.640 0.000 0.000 0.255 391 D C 0.301 176.602 176.300 0.002 0.000 1.314 391 D CA 0.063 54.069 54.000 0.011 0.000 0.900 391 D CB -0.164 40.639 40.800 0.004 0.000 1.072 391 D HN 0.154 nan 8.370 nan 0.000 0.487 392 R N 0.955 121.459 120.500 0.008 0.000 2.445 392 R HA 0.175 4.516 4.340 0.000 0.000 0.308 392 R C -0.005 176.267 176.300 -0.046 0.000 0.961 392 R CA -0.658 55.437 56.100 -0.009 0.000 0.862 392 R CB 1.478 31.797 30.300 0.032 0.000 1.144 392 R HN 0.036 nan 8.270 nan 0.000 0.447 393 Q N 2.984 122.693 119.800 -0.151 0.000 2.310 393 Q HA -0.174 4.166 4.340 0.000 0.000 0.315 393 Q C -0.636 175.220 176.000 -0.241 0.000 1.081 393 Q CA 1.400 57.008 55.803 -0.325 0.000 0.981 393 Q CB 0.209 28.555 28.738 -0.653 0.000 1.184 393 Q HN 0.914 nan 8.270 nan 0.000 0.389 394 Y N -0.171 120.140 120.300 0.017 0.000 4.745 394 Y HA -0.247 4.303 4.550 -0.000 0.000 0.295 394 Y C 0.129 176.037 175.900 0.014 0.000 0.956 394 Y CA -0.436 57.672 58.100 0.015 0.000 1.684 394 Y CB -0.936 37.533 38.460 0.016 0.000 1.002 394 Y HN 0.524 nan 8.280 nan 0.000 0.430 395 I N 3.688 124.347 120.570 0.147 0.000 2.581 395 I HA -0.091 4.079 4.170 0.000 0.000 0.285 395 I C 1.288 177.446 176.117 0.068 0.000 1.129 395 I CA 0.817 62.171 61.300 0.090 0.000 1.397 395 I CB 1.051 39.087 38.000 0.060 0.000 1.399 395 I HN 0.299 nan 8.210 nan 0.000 0.537 396 K N 3.543 123.975 120.400 0.054 0.000 2.167 396 K HA -0.050 4.270 4.320 0.000 0.000 0.203 396 K C 0.551 177.165 176.600 0.023 0.000 1.052 396 K CA 0.808 57.117 56.287 0.037 0.000 0.956 396 K CB 0.290 32.806 32.500 0.026 0.000 0.735 396 K HN 0.494 nan 8.250 nan 0.000 0.451 397 D N 0.776 121.186 120.400 0.016 0.000 2.634 397 D HA 0.075 4.715 4.640 0.000 0.000 0.318 397 D C 0.610 176.915 176.300 0.009 0.000 1.226 397 D CA -0.126 53.879 54.000 0.008 0.000 0.899 397 D CB 0.429 41.227 40.800 -0.004 0.000 1.025 397 D HN 0.014 nan 8.370 nan 0.000 0.501 398 R N 1.359 121.868 120.500 0.015 0.000 2.133 398 R HA -0.235 4.105 4.340 0.000 0.000 0.245 398 R C 1.768 178.076 176.300 0.013 0.000 1.137 398 R CA 2.042 58.152 56.100 0.016 0.000 0.947 398 R CB 0.057 30.367 30.300 0.016 0.000 0.865 398 R HN 0.357 nan 8.270 nan 0.000 0.437 399 E N -0.428 119.777 120.200 0.009 0.000 2.097 399 E HA -0.251 4.099 4.350 0.000 0.000 0.196 399 E C 1.768 178.371 176.600 0.005 0.000 1.000 399 E CA 1.437 57.841 56.400 0.008 0.000 0.804 399 E CB -0.182 29.521 29.700 0.005 0.000 0.740 399 E HN 0.517 nan 8.360 nan 0.000 0.454 400 A N 0.545 123.365 122.820 -0.001 0.000 1.842 400 A HA -0.229 4.091 4.320 0.000 0.000 0.217 400 A C 2.458 180.041 177.584 -0.002 0.000 1.206 400 A CA 2.062 54.094 52.037 -0.008 0.000 0.630 400 A CB -1.179 17.808 19.000 -0.022 0.000 0.839 400 A HN 0.232 nan 8.150 nan 0.000 0.447 401 V N 0.234 120.149 119.914 0.001 0.000 2.250 401 V HA -0.371 3.749 4.120 0.000 0.000 0.250 401 V C 2.571 178.685 176.094 0.033 0.000 1.060 401 V CA 2.655 64.966 62.300 0.020 0.000 1.030 401 V CB -0.950 30.892 31.823 0.032 0.000 0.643 401 V HN 0.786 nan 8.190 nan 0.000 0.445 402 E N -0.201 120.016 120.200 0.028 0.000 2.147 402 E HA -0.291 4.059 4.350 0.000 0.000 0.199 402 E C 2.276 178.893 176.600 0.029 0.000 1.005 402 E CA 1.373 57.792 56.400 0.032 0.000 0.810 402 E CB -0.001 29.714 29.700 0.025 0.000 0.736 402 E HN 0.466 nan 8.360 nan 0.000 0.460 403 K N 0.381 120.793 120.400 0.020 0.000 2.032 403 K HA -0.161 4.159 4.320 0.000 0.000 0.209 403 K C 2.298 178.911 176.600 0.021 0.000 1.048 403 K CA 1.049 57.345 56.287 0.015 0.000 0.927 403 K CB -0.567 31.936 32.500 0.005 0.000 0.712 403 K HN 0.311 nan 8.250 nan 0.000 0.441 404 L N 1.046 122.286 121.223 0.028 0.000 1.989 404 L HA -0.248 4.092 4.340 0.000 0.000 0.211 404 L C 2.876 179.776 176.870 0.051 0.000 1.071 404 L CA 1.916 56.781 54.840 0.042 0.000 0.749 404 L CB -0.797 41.301 42.059 0.065 0.000 0.890 404 L HN 0.328 nan 8.230 nan 0.000 0.431 405 Q N 0.387 120.224 119.800 0.061 0.000 2.297 405 Q HA -0.211 4.130 4.340 0.000 0.000 0.204 405 Q C 1.951 177.988 176.000 0.061 0.000 0.962 405 Q CA 1.342 57.187 55.803 0.069 0.000 0.879 405 Q CB -0.095 28.690 28.738 0.079 0.000 0.947 405 Q HN 0.525 nan 8.270 nan 0.000 0.462 406 E N 1.184 121.413 120.200 0.048 0.000 2.023 406 E HA -0.162 4.188 4.350 0.000 0.000 0.196 406 E C -0.632 175.987 176.600 0.031 0.000 1.003 406 E CA 1.575 58.001 56.400 0.044 0.000 0.809 406 E CB -0.569 29.149 29.700 0.031 0.000 0.755 406 E HN 0.434 nan 8.360 nan 0.000 0.449 407 P HA -0.191 nan 4.420 nan 0.000 0.216 407 P C 1.643 178.946 177.300 0.004 0.000 1.150 407 P CA 1.284 64.385 63.100 0.002 0.000 0.843 407 P CB -0.139 31.559 31.700 -0.002 0.000 0.787 408 L N -0.913 120.326 121.223 0.026 0.000 1.990 408 L HA -0.195 4.145 4.340 0.000 0.000 0.213 408 L C 2.942 179.834 176.870 0.036 0.000 1.072 408 L CA 1.552 56.413 54.840 0.036 0.000 0.755 408 L CB -1.233 40.863 42.059 0.062 0.000 0.889 408 L HN -0.118 nan 8.230 nan 0.000 0.432 409 L N -0.472 120.791 121.223 0.066 0.000 2.079 409 L HA -0.261 4.079 4.340 0.000 0.000 0.210 409 L C 2.272 179.123 176.870 -0.032 0.000 1.081 409 L CA 1.423 56.328 54.840 0.110 0.000 0.752 409 L CB -0.651 41.515 42.059 0.178 0.000 0.896 409 L HN 0.350 nan 8.230 nan 0.000 0.433 410 D N -0.136 120.236 120.400 -0.046 0.000 2.097 410 D HA -0.159 4.481 4.640 0.000 0.000 0.195 410 D C 2.060 178.265 176.300 -0.159 0.000 0.989 410 D CA 1.319 55.254 54.000 -0.109 0.000 0.827 410 D CB 0.100 40.865 40.800 -0.059 0.000 0.966 410 D HN 0.040 nan 8.370 nan 0.000 0.456 411 V N 0.536 120.387 119.914 -0.106 0.000 2.220 411 V HA -0.215 3.905 4.120 0.000 0.000 0.246 411 V C 2.585 178.585 176.094 -0.158 0.000 1.049 411 V CA 1.705 63.940 62.300 -0.110 0.000 1.003 411 V CB -0.933 30.854 31.823 -0.059 0.000 0.634 411 V HN 0.289 nan 8.190 nan 0.000 0.444 412 L N 0.218 121.369 121.223 -0.119 0.000 1.997 412 L HA -0.277 4.063 4.340 0.000 0.000 0.216 412 L C 2.561 179.252 176.870 -0.298 0.000 1.074 412 L CA 2.629 57.408 54.840 -0.102 0.000 0.763 412 L CB -1.119 40.984 42.059 0.073 0.000 0.890 412 L HN 0.523 nan 8.230 nan 0.000 0.434 413 Q N -0.694 118.664 119.800 -0.736 0.000 2.096 413 Q HA -0.303 4.037 4.340 0.000 0.000 0.204 413 Q C 2.403 178.069 176.000 -0.557 0.000 0.982 413 Q CA 2.383 57.392 55.803 -1.323 0.000 0.850 413 Q CB -0.177 27.582 28.738 -1.632 0.000 0.901 413 Q HN 0.580 nan 8.270 nan 0.000 0.422 414 K N -0.481 119.694 120.400 -0.375 0.000 2.057 414 K HA -0.140 4.180 4.320 0.000 0.000 0.206 414 K C 2.047 178.512 176.600 -0.225 0.000 1.050 414 K CA 0.771 56.915 56.287 -0.238 0.000 0.935 414 K CB -0.033 32.358 32.500 -0.182 0.000 0.715 414 K HN 0.148 nan 8.250 nan 0.000 0.439 415 L N 1.323 122.397 121.223 -0.249 0.000 1.970 415 L HA -0.266 4.074 4.340 0.000 0.000 0.212 415 L C 2.339 179.035 176.870 -0.291 0.000 1.071 415 L CA 1.669 56.323 54.840 -0.310 0.000 0.751 415 L CB -0.997 40.899 42.059 -0.272 0.000 0.889 415 L HN 0.341 nan 8.230 nan 0.000 0.432 416 C N -0.767 118.415 119.300 -0.197 0.000 2.403 416 C HA -0.200 4.260 4.460 0.000 0.000 0.277 416 C C 2.501 177.434 174.990 -0.095 0.000 1.248 416 C CA 0.558 59.491 59.018 -0.141 0.000 1.762 416 C CB -1.125 26.622 27.740 0.012 0.000 2.014 416 C HN 0.451 nan 8.230 nan 0.000 0.486 417 K N 0.256 120.596 120.400 -0.101 0.000 2.515 417 K HA -0.026 4.294 4.320 0.000 0.000 0.196 417 K C 1.457 178.032 176.600 -0.040 0.000 1.038 417 K CA 0.707 56.960 56.287 -0.057 0.000 0.967 417 K CB 0.001 32.456 32.500 -0.073 0.000 0.780 417 K HN 0.499 nan 8.250 nan 0.000 0.483 418 I N -1.118 119.410 120.570 -0.069 0.000 3.194 418 I HA -0.099 4.071 4.170 0.000 0.000 0.271 418 I C 1.606 177.840 176.117 0.195 0.000 1.150 418 I CA 1.003 62.304 61.300 0.002 0.000 1.440 418 I CB -0.663 37.271 38.000 -0.110 0.000 1.276 418 I HN 0.133 nan 8.210 nan 0.000 0.457 419 Y N 1.034 121.292 120.300 -0.070 0.000 2.490 419 Y HA 0.132 4.682 4.550 0.000 0.000 0.281 419 Y C 0.499 176.341 175.900 -0.096 0.000 1.174 419 Y CA -0.100 57.954 58.100 -0.076 0.000 1.295 419 Y CB 0.648 39.056 38.460 -0.087 0.000 1.062 419 Y HN 0.201 nan 8.280 nan 0.000 0.522 420 Q N -0.560 119.272 119.800 0.053 0.000 2.903 420 Q HA 0.192 4.532 4.340 0.000 0.000 0.342 420 Q C -2.425 173.600 176.000 0.042 0.000 0.808 420 Q CA -1.341 54.470 55.803 0.013 0.000 1.004 420 Q CB 0.969 29.651 28.738 -0.094 0.000 1.470 420 Q HN 0.261 nan 8.270 nan 0.000 0.387 421 P HA -0.148 nan 4.420 nan 0.000 0.230 421 P C 1.113 178.439 177.300 0.043 0.000 1.158 421 P CA 1.137 64.262 63.100 0.041 0.000 0.769 421 P CB 0.478 32.200 31.700 0.038 0.000 0.807 422 E N -0.985 119.245 120.200 0.050 0.000 2.431 422 E HA -0.017 4.333 4.350 0.000 0.000 0.200 422 E C 0.441 177.079 176.600 0.063 0.000 0.995 422 E CA 0.437 56.867 56.400 0.050 0.000 0.915 422 E CB -0.943 28.784 29.700 0.044 0.000 0.930 422 E HN 0.259 nan 8.360 nan 0.000 0.496 423 N N 2.329 121.082 118.700 0.087 0.000 2.990 423 N HA 0.152 4.893 4.740 0.000 0.000 0.288 423 N C -1.841 173.748 175.510 0.130 0.000 1.624 423 N CA -1.663 51.455 53.050 0.112 0.000 0.961 423 N CB 0.864 39.449 38.487 0.162 0.000 1.259 423 N HN -0.167 nan 8.380 nan 0.000 0.489 424 P HA -0.144 nan 4.420 nan 0.000 0.231 424 P C 0.282 177.656 177.300 0.122 0.000 1.154 424 P CA 0.984 64.146 63.100 0.102 0.000 0.762 424 P CB 0.350 32.092 31.700 0.071 0.000 0.790 425 Q N -2.167 117.703 119.800 0.117 0.000 2.319 425 Q HA -0.007 4.333 4.340 0.000 0.000 0.209 425 Q C 1.918 177.981 176.000 0.104 0.000 0.884 425 Q CA 0.089 55.945 55.803 0.088 0.000 0.938 425 Q CB -0.673 28.091 28.738 0.043 0.000 1.098 425 Q HN 0.495 nan 8.270 nan 0.000 0.517 426 H N 0.699 119.817 119.070 0.079 0.000 2.265 426 H HA -0.182 4.374 4.556 0.000 0.000 0.295 426 H C 1.599 176.994 175.328 0.112 0.000 1.084 426 H CA 1.659 57.758 56.048 0.085 0.000 1.261 426 H CB -0.188 29.633 29.762 0.097 0.000 1.360 426 H HN 0.191 nan 8.280 nan 0.000 0.487 427 F N 1.279 121.350 119.950 0.202 0.000 2.147 427 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 427 F C 2.520 178.350 175.800 0.050 0.000 1.084 427 F CA 1.484 59.558 58.000 0.123 0.000 1.268 427 F CB -0.907 38.136 39.000 0.073 0.000 1.009 427 F HN 0.250 nan 8.300 nan 0.000 0.486 428 A N -0.398 122.328 122.820 -0.158 0.000 1.841 428 A HA -0.190 4.130 4.320 0.000 0.000 0.214 428 A C 2.480 179.943 177.584 -0.201 0.000 1.195 428 A CA 1.722 53.613 52.037 -0.244 0.000 0.611 428 A CB -1.598 17.338 19.000 -0.107 0.000 0.835 428 A HN 0.511 nan 8.150 nan 0.000 0.443 429 C N -0.104 119.109 119.300 -0.144 0.000 2.385 429 C HA -0.163 4.297 4.460 0.000 0.000 0.275 429 C C 2.618 177.520 174.990 -0.146 0.000 1.207 429 C CA 1.106 60.038 59.018 -0.142 0.000 1.760 429 C CB -1.802 25.833 27.740 -0.176 0.000 2.051 429 C HN 0.608 nan 8.230 nan 0.000 0.467 430 L N 0.153 121.277 121.223 -0.165 0.000 2.043 430 L HA -0.204 4.137 4.340 0.000 0.000 0.212 430 L C 2.585 179.399 176.870 -0.094 0.000 1.075 430 L CA 1.542 56.321 54.840 -0.102 0.000 0.752 430 L CB -0.717 41.347 42.059 0.008 0.000 0.891 430 L HN 0.422 nan 8.230 nan 0.000 0.432 431 L N -0.731 120.386 121.223 -0.178 0.000 2.131 431 L HA -0.040 4.300 4.340 0.000 0.000 0.206 431 L C 2.725 179.533 176.870 -0.103 0.000 1.087 431 L CA 0.980 55.721 54.840 -0.166 0.000 0.767 431 L CB -1.039 40.838 42.059 -0.303 0.000 0.917 431 L HN 0.272 nan 8.230 nan 0.000 0.441 432 G N 0.415 109.149 108.800 -0.110 0.000 2.586 432 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 432 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 432 G C 1.517 176.401 174.900 -0.026 0.000 1.216 432 G CA 0.518 45.576 45.100 -0.070 0.000 0.786 432 G HN 0.193 nan 8.290 nan 0.000 0.583 433 R N 0.253 120.759 120.500 0.010 0.000 2.261 433 R HA 0.042 4.382 4.340 0.000 0.000 0.236 433 R C 2.427 178.800 176.300 0.121 0.000 1.141 433 R CA 0.373 56.540 56.100 0.113 0.000 1.001 433 R CB -1.300 29.083 30.300 0.138 0.000 0.866 433 R HN 0.478 nan 8.270 nan 0.000 0.468 434 L N 0.418 121.669 121.223 0.048 0.000 2.056 434 L HA -0.143 4.197 4.340 0.000 0.000 0.207 434 L C 1.683 178.560 176.870 0.012 0.000 1.078 434 L CA 1.480 56.351 54.840 0.052 0.000 0.749 434 L CB -0.281 41.789 42.059 0.019 0.000 0.901 434 L HN 0.163 nan 8.230 nan 0.000 0.433 435 T N -1.146 113.390 114.554 -0.031 0.000 2.737 435 T HA -0.251 4.099 4.350 0.000 0.000 0.265 435 T C 1.609 176.221 174.700 -0.146 0.000 1.038 435 T CA 1.483 63.539 62.100 -0.074 0.000 1.144 435 T CB -0.168 68.653 68.868 -0.079 0.000 0.866 435 T HN 0.383 nan 8.240 nan 0.000 0.434 436 E N 0.949 121.056 120.200 -0.155 0.000 2.086 436 E HA -0.175 4.175 4.350 0.000 0.000 0.200 436 E C 2.109 178.325 176.600 -0.639 0.000 1.012 436 E CA 1.109 57.302 56.400 -0.345 0.000 0.812 436 E CB -0.391 29.204 29.700 -0.174 0.000 0.743 436 E HN 0.399 nan 8.360 nan 0.000 0.453 437 L N 0.083 121.119 121.223 -0.311 0.000 2.211 437 L HA -0.255 4.085 4.340 0.000 0.000 0.216 437 L C 2.542 179.334 176.870 -0.131 0.000 1.092 437 L CA 1.371 56.130 54.840 -0.135 0.000 0.767 437 L CB -0.181 42.001 42.059 0.206 0.000 0.894 437 L HN 0.098 nan 8.230 nan 0.000 0.437 438 R N -0.922 119.480 120.500 -0.164 0.000 2.153 438 R HA -0.078 4.262 4.340 0.000 0.000 0.218 438 R C 2.353 178.570 176.300 -0.138 0.000 1.072 438 R CA 1.362 57.419 56.100 -0.071 0.000 0.990 438 R CB -0.967 29.305 30.300 -0.047 0.000 0.889 438 R HN 0.491 nan 8.270 nan 0.000 0.452 439 T N -1.557 112.762 114.554 -0.392 0.000 2.833 439 T HA -0.130 4.220 4.350 0.000 0.000 0.269 439 T C 1.722 176.268 174.700 -0.258 0.000 1.054 439 T CA 1.134 62.985 62.100 -0.415 0.000 1.135 439 T CB -0.445 68.106 68.868 -0.529 0.000 0.869 439 T HN 0.227 nan 8.240 nan 0.000 0.466 440 F N 1.849 121.804 119.950 0.008 0.000 2.407 440 F HA 0.087 4.614 4.527 0.000 0.000 0.299 440 F C 2.754 178.760 175.800 0.344 0.000 1.097 440 F CA 0.145 58.218 58.000 0.121 0.000 1.422 440 F CB -0.614 38.264 39.000 -0.205 0.000 1.067 440 F HN 0.136 nan 8.300 nan 0.000 0.539 441 N N 0.455 119.405 118.700 0.417 0.000 2.091 441 N HA -0.230 4.510 4.740 0.000 0.000 0.193 441 N C 1.542 177.200 175.510 0.246 0.000 1.021 441 N CA 1.851 55.088 53.050 0.311 0.000 0.862 441 N CB -0.419 38.182 38.487 0.190 0.000 1.018 441 N HN 0.383 nan 8.380 nan 0.000 0.429 442 H N -0.152 118.934 119.070 0.026 0.000 2.307 442 H HA 0.028 4.584 4.556 0.000 0.000 0.303 442 H C 1.981 177.303 175.328 -0.010 0.000 1.073 442 H CA 1.221 57.231 56.048 -0.064 0.000 1.338 442 H CB -0.607 29.021 29.762 -0.223 0.000 1.389 442 H HN 0.362 nan 8.280 nan 0.000 0.503 443 H N -0.650 118.600 119.070 0.300 0.000 2.390 443 H HA -0.173 4.383 4.556 0.000 0.000 0.298 443 H C 2.277 177.686 175.328 0.134 0.000 1.106 443 H CA 1.834 58.024 56.048 0.237 0.000 1.297 443 H CB -0.585 29.389 29.762 0.352 0.000 1.375 443 H HN 0.535 nan 8.280 nan 0.000 0.509 444 H N 0.718 119.966 119.070 0.298 0.000 2.321 444 H HA -0.038 4.518 4.556 0.000 0.000 0.300 444 H C 2.285 177.528 175.328 -0.142 0.000 1.087 444 H CA 1.858 57.960 56.048 0.090 0.000 1.319 444 H CB -0.104 29.788 29.762 0.217 0.000 1.379 444 H HN 0.301 nan 8.280 nan 0.000 0.501 445 A N 0.737 123.539 122.820 -0.030 0.000 1.908 445 A HA -0.203 4.117 4.320 0.000 0.000 0.218 445 A C 2.297 179.799 177.584 -0.138 0.000 1.181 445 A CA 1.912 53.883 52.037 -0.109 0.000 0.627 445 A CB -0.492 18.465 19.000 -0.071 0.000 0.818 445 A HN 0.673 nan 8.150 nan 0.000 0.445 446 E N -1.062 119.084 120.200 -0.090 0.000 2.016 446 E HA -0.156 4.194 4.350 0.000 0.000 0.190 446 E C 2.045 178.552 176.600 -0.155 0.000 0.985 446 E CA 1.022 57.377 56.400 -0.074 0.000 0.802 446 E CB -0.336 29.363 29.700 -0.001 0.000 0.762 446 E HN 0.593 nan 8.360 nan 0.000 0.448 447 M N 1.151 120.568 119.600 -0.304 0.000 2.327 447 M HA -0.220 4.261 4.480 0.000 0.000 0.258 447 M C 1.753 177.882 176.300 -0.285 0.000 1.079 447 M CA 1.314 56.318 55.300 -0.494 0.000 1.056 447 M CB -0.243 31.601 32.600 -1.259 0.000 1.387 447 M HN 0.139 nan 8.290 nan 0.000 0.423 448 L N -0.192 120.891 121.223 -0.233 0.000 2.179 448 L HA -0.127 4.213 4.340 0.000 0.000 0.208 448 L C 2.326 179.270 176.870 0.123 0.000 1.096 448 L CA 0.739 55.567 54.840 -0.020 0.000 0.779 448 L CB -0.330 41.608 42.059 -0.201 0.000 0.922 448 L HN 0.408 nan 8.230 nan 0.000 0.443 449 M N -1.831 117.793 119.600 0.039 0.000 2.659 449 M HA 0.047 4.527 4.480 0.000 0.000 0.243 449 M C 1.683 178.032 176.300 0.082 0.000 1.111 449 M CA 1.010 56.352 55.300 0.069 0.000 1.070 449 M CB -0.299 32.319 32.600 0.029 0.000 1.525 449 M HN 0.195 nan 8.290 nan 0.000 0.517 450 S N -1.786 113.970 115.700 0.094 0.000 2.613 450 S HA 0.070 4.540 4.470 0.000 0.000 0.235 450 S C 0.186 174.885 174.600 0.165 0.000 1.073 450 S CA -0.637 57.613 58.200 0.084 0.000 0.899 450 S CB -0.193 63.023 63.200 0.028 0.000 0.818 450 S HN 0.610 nan 8.310 nan 0.000 0.484 451 W N 4.631 125.930 121.300 -0.002 0.000 2.264 451 W HA 0.448 5.108 4.660 -0.000 0.000 0.331 451 W C 0.952 177.428 176.519 -0.072 0.000 1.364 451 W CA -0.555 56.789 57.345 -0.002 0.000 1.253 451 W CB 0.493 30.032 29.460 0.131 0.000 1.215 451 W HN 0.460 nan 8.180 nan 0.000 0.561 452 R N 2.334 122.760 120.500 -0.123 0.000 3.709 452 R HA 0.168 4.508 4.340 0.000 0.000 0.111 452 R C 0.909 176.778 176.300 -0.719 0.000 0.726 452 R CA 0.177 56.031 56.100 -0.409 0.000 1.576 452 R CB -0.149 30.053 30.300 -0.164 0.000 1.644 452 R HN 0.120 nan 8.270 nan 0.000 0.456 453 V N 1.324 120.969 119.914 -0.449 0.000 2.070 453 V HA -0.349 3.771 4.120 0.000 0.000 0.100 453 V C -1.046 174.815 176.094 -0.389 0.000 0.533 453 V CA 1.592 63.637 62.300 -0.425 0.000 1.406 453 V CB -1.336 30.090 31.823 -0.662 0.000 1.610 453 V HN 0.706 nan 8.190 nan 0.000 0.921 454 N N 0.098 118.598 118.700 -0.335 0.000 4.707 454 N HA -0.168 4.572 4.740 0.000 0.000 0.346 454 N C 0.353 175.667 175.510 -0.327 0.000 1.724 454 N CA 1.469 54.364 53.050 -0.259 0.000 2.904 454 N CB -0.445 37.923 38.487 -0.199 0.000 0.410 454 N HN 1.136 nan 8.380 nan 0.000 0.805 455 D N -0.914 119.371 120.400 -0.191 0.000 3.027 455 D HA -0.312 4.328 4.640 0.000 0.000 0.224 455 D C -0.630 175.691 176.300 0.035 0.000 1.193 455 D CA 1.798 55.732 54.000 -0.110 0.000 0.858 455 D CB -1.928 38.797 40.800 -0.125 0.000 1.104 455 D HN 0.768 nan 8.370 nan 0.000 0.406 456 H N -0.315 118.692 119.070 -0.106 0.000 2.658 456 H HA 0.448 5.004 4.556 0.000 0.000 0.337 456 H C 0.397 175.704 175.328 -0.035 0.000 1.009 456 H CA -1.233 54.795 56.048 -0.032 0.000 1.231 456 H CB 1.325 31.103 29.762 0.027 0.000 1.508 456 H HN -0.102 nan 8.280 nan 0.000 0.517 457 K N 1.745 122.227 120.400 0.136 0.000 2.646 457 K HA 0.410 4.730 4.320 0.000 0.000 0.270 457 K C -0.704 175.911 176.600 0.025 0.000 1.026 457 K CA -0.378 55.962 56.287 0.088 0.000 1.043 457 K CB 0.771 33.337 32.500 0.110 0.000 1.383 457 K HN 0.250 nan 8.250 nan 0.000 0.513 458 F N 0.078 120.087 119.950 0.098 0.000 2.507 458 F HA 0.279 4.806 4.527 0.001 0.000 0.327 458 F C 0.342 176.127 175.800 -0.026 0.000 1.068 458 F CA -0.868 57.146 58.000 0.023 0.000 0.965 458 F CB 1.709 40.760 39.000 0.085 0.000 1.192 458 F HN 0.430 nan 8.300 nan 0.000 0.476 459 T N 0.265 114.906 114.554 0.144 0.000 2.916 459 T HA 0.105 4.456 4.350 0.000 0.000 0.303 459 T C -2.094 172.630 174.700 0.039 0.000 1.025 459 T CA -1.272 60.849 62.100 0.035 0.000 1.142 459 T CB 1.000 69.848 68.868 -0.032 0.000 0.947 459 T HN 0.278 nan 8.240 nan 0.000 0.544 460 P HA -0.170 nan 4.420 nan 0.000 0.215 460 P C 1.805 179.097 177.300 -0.013 0.000 1.163 460 P CA 0.511 63.621 63.100 0.016 0.000 0.894 460 P CB -0.103 31.602 31.700 0.009 0.000 0.791 461 L N -0.985 120.215 121.223 -0.038 0.000 2.064 461 L HA -0.223 4.117 4.340 0.000 0.000 0.216 461 L C 2.155 178.953 176.870 -0.119 0.000 1.077 461 L CA 1.934 56.732 54.840 -0.071 0.000 0.766 461 L CB -1.404 40.603 42.059 -0.087 0.000 0.890 461 L HN -0.066 nan 8.230 nan 0.000 0.435 462 L N -1.992 119.141 121.223 -0.151 0.000 2.109 462 L HA -0.234 4.106 4.340 0.000 0.000 0.207 462 L C 2.605 179.405 176.870 -0.116 0.000 1.086 462 L CA 1.180 55.859 54.840 -0.267 0.000 0.760 462 L CB -0.636 41.250 42.059 -0.288 0.000 0.910 462 L HN 0.389 nan 8.230 nan 0.000 0.437 463 C N 0.064 119.342 119.300 -0.037 0.000 2.391 463 C HA -0.190 4.270 4.460 0.000 0.000 0.276 463 C C 2.599 177.605 174.990 0.026 0.000 1.217 463 C CA 0.917 59.939 59.018 0.007 0.000 1.766 463 C CB -0.817 26.947 27.740 0.040 0.000 2.046 463 C HN 0.527 nan 8.230 nan 0.000 0.475 464 E N 1.070 121.275 120.200 0.007 0.000 2.004 464 E HA -0.139 4.211 4.350 0.000 0.000 0.192 464 E C 1.768 178.396 176.600 0.047 0.000 0.987 464 E CA 1.441 57.853 56.400 0.020 0.000 0.822 464 E CB -0.339 29.362 29.700 0.002 0.000 0.779 464 E HN 0.691 nan 8.360 nan 0.000 0.458 465 I N -1.367 119.209 120.570 0.010 0.000 2.850 465 I HA -0.156 4.014 4.170 0.000 0.000 0.266 465 I C 1.404 177.678 176.117 0.261 0.000 1.257 465 I CA 0.885 62.222 61.300 0.062 0.000 1.465 465 I CB -0.516 37.461 38.000 -0.038 0.000 1.091 465 I HN 0.174 nan 8.210 nan 0.000 0.467 466 W N 0.313 121.606 121.300 -0.011 0.000 3.127 466 W HA 0.274 4.934 4.660 -0.000 0.000 0.248 466 W C 1.266 177.773 176.519 -0.020 0.000 1.058 466 W CA 0.475 57.819 57.345 -0.001 0.000 1.783 466 W CB -0.024 29.416 29.460 -0.034 0.000 1.030 466 W HN 0.232 nan 8.180 nan 0.000 0.653 467 D N -3.173 117.332 120.400 0.175 0.000 3.485 467 D HA -0.147 4.493 4.640 0.000 0.000 0.178 467 D C 0.395 176.717 176.300 0.038 0.000 0.530 467 D CA 0.481 54.528 54.000 0.078 0.000 0.772 467 D CB -0.777 40.059 40.800 0.059 0.000 1.566 467 D HN -0.285 nan 8.370 nan 0.000 0.517 468 V N 0.000 119.911 119.914 -0.005 0.000 2.409 468 V HA 0.000 4.120 4.120 0.000 0.000 0.244 468 V CA 0.000 62.306 62.300 0.010 0.000 1.235 468 V CB 0.000 31.778 31.823 -0.075 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556