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 2vf5_1_X DATA FIRST_RESID 243 DATA SEQUENCE GDKGIYRHYM QKEIYEQPNA IKNTLTGRIS HGQVDLSELG PNADELLSKV DATA SEQUENCE EHIQILACGT SYNSGMVSRY WFESLAGIPC DVEIASEFRY RKSAVRRNSL DATA SEQUENCE MITLSQSGET ADTLAGLRLS KELGYLGSLA ICNVPGSSLV RESDLALMTN DATA SEQUENCE AGTEIGVAST KAFTTQLTVL LMLVAKLSRL KGLDASIEHD IVHGLQALPS DATA SEQUENCE RIEQMLSQDK RIEALAEDFS DKHHALFLGR GDQYPIALEG ALKLKEISYI DATA SEQUENCE HAEAYAAGEL KHGPLALIDA DMPVIVVAPN NELLEKLKSN IEEVRARGGQ DATA SEQUENCE LYVFADQDAG FVSSDNMHII EMPHVEEVIA PIFYTVPLQL LAYHVALIKG DATA SEQUENCE TDVDQPRNLA KSVTVE 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 243 G HA2 0.000 nan 3.960 nan 0.000 0.244 243 G HA3 0.000 3.974 3.960 0.024 0.000 0.244 243 G C 0.000 175.019 174.900 0.198 0.000 0.946 243 G CA 0.000 45.180 45.100 0.133 0.000 0.502 244 D N 0.895 121.368 120.400 0.121 0.000 2.434 244 D HA 0.340 4.994 4.640 0.024 0.000 0.252 244 D C 1.418 177.753 176.300 0.058 0.000 1.185 244 D CA 0.169 54.215 54.000 0.076 0.000 0.886 244 D CB 1.388 42.213 40.800 0.042 0.000 1.148 244 D HN 0.343 nan 8.370 nan 0.000 0.483 245 K N 1.984 122.357 120.400 -0.045 0.000 2.209 245 K HA 0.003 4.337 4.320 0.024 0.000 0.204 245 K C 1.336 177.966 176.600 0.050 0.000 1.048 245 K CA 0.637 56.849 56.287 -0.125 0.000 0.940 245 K CB -0.104 32.206 32.500 -0.317 0.000 0.729 245 K HN 0.746 nan 8.250 nan 0.000 0.451 246 G N 1.333 110.134 108.800 0.001 0.000 2.509 246 G HA2 -0.335 3.639 3.960 0.024 0.000 0.259 246 G HA3 -0.335 3.639 3.960 0.024 0.000 0.259 246 G C 0.637 175.447 174.900 -0.150 0.000 1.169 246 G CA 0.107 45.187 45.100 -0.033 0.000 0.953 246 G HN 0.351 nan 8.290 nan 0.000 0.563 247 I N -1.122 119.236 120.570 -0.354 0.000 3.456 247 I HA 0.438 4.622 4.170 0.024 0.000 0.291 247 I C 0.489 176.265 176.117 -0.569 0.000 1.307 247 I CA 0.217 61.225 61.300 -0.488 0.000 1.333 247 I CB -0.478 37.192 38.000 -0.550 0.000 1.032 247 I HN 0.301 nan 8.210 nan 0.000 0.506 248 Y N 0.434 120.656 120.300 -0.130 0.000 2.419 248 Y HA 0.484 5.048 4.550 0.024 0.000 0.328 248 Y C 1.469 177.263 175.900 -0.176 0.000 1.162 248 Y CA -1.038 56.978 58.100 -0.141 0.000 1.174 248 Y CB 1.008 39.387 38.460 -0.134 0.000 1.228 248 Y HN -0.134 nan 8.280 nan 0.000 0.473 249 R N 0.077 120.597 120.500 0.033 0.000 2.075 249 R HA 0.032 4.386 4.340 0.024 0.000 0.226 249 R C -0.502 175.542 176.300 -0.427 0.000 1.114 249 R CA 0.973 56.941 56.100 -0.219 0.000 0.972 249 R CB 0.231 30.399 30.300 -0.221 0.000 0.869 249 R HN 0.664 nan 8.270 nan 0.000 0.437 250 H N -1.847 117.248 119.070 0.041 0.000 2.806 250 H HA 0.077 4.647 4.556 0.024 0.000 0.367 250 H C 0.035 175.289 175.328 -0.123 0.000 1.136 250 H CA -0.688 55.353 56.048 -0.011 0.000 1.178 250 H CB 1.201 31.046 29.762 0.138 0.000 1.718 250 H HN -0.011 nan 8.280 nan 0.000 0.540 251 Y N 0.677 121.049 120.300 0.119 0.000 2.139 251 Y HA -0.315 4.249 4.550 0.023 0.000 0.282 251 Y C 2.879 178.740 175.900 -0.065 0.000 1.179 251 Y CA 1.776 59.887 58.100 0.018 0.000 1.161 251 Y CB -0.168 38.308 38.460 0.026 0.000 0.970 251 Y HN 0.569 nan 8.280 nan 0.000 0.511 252 M N -0.164 119.496 119.600 0.099 0.000 2.159 252 M HA -0.309 4.186 4.480 0.024 0.000 0.263 252 M C 2.405 178.531 176.300 -0.291 0.000 1.063 252 M CA 1.771 57.027 55.300 -0.073 0.000 1.110 252 M CB -0.196 32.366 32.600 -0.063 0.000 1.374 252 M HN 0.398 nan 8.290 nan 0.000 0.411 253 Q N 0.493 120.048 119.800 -0.408 0.000 2.002 253 Q HA -0.289 4.065 4.340 0.024 0.000 0.204 253 Q C 2.016 177.732 176.000 -0.475 0.000 0.988 253 Q CA 2.335 57.800 55.803 -0.563 0.000 0.843 253 Q CB -0.207 28.320 28.738 -0.352 0.000 0.908 253 Q HN 0.526 nan 8.270 nan 0.000 0.420 254 K N 0.361 120.368 120.400 -0.655 0.000 1.987 254 K HA -0.258 4.076 4.320 0.024 0.000 0.216 254 K C 1.834 178.206 176.600 -0.380 0.000 1.051 254 K CA 2.102 57.847 56.287 -0.903 0.000 0.942 254 K CB -0.177 32.024 32.500 -0.498 0.000 0.722 254 K HN 0.223 nan 8.250 nan 0.000 0.444 255 E N 0.512 120.592 120.200 -0.199 0.000 2.164 255 E HA -0.254 4.111 4.350 0.024 0.000 0.206 255 E C 2.001 178.498 176.600 -0.172 0.000 1.032 255 E CA 2.239 58.564 56.400 -0.125 0.000 0.832 255 E CB -0.248 29.414 29.700 -0.064 0.000 0.742 255 E HN 0.442 nan 8.360 nan 0.000 0.460 256 I N -0.493 119.916 120.570 -0.270 0.000 2.163 256 I HA -0.249 3.935 4.170 0.024 0.000 0.240 256 I C 1.839 177.735 176.117 -0.369 0.000 1.081 256 I CA 1.210 62.307 61.300 -0.339 0.000 1.353 256 I CB -0.431 37.291 38.000 -0.464 0.000 1.054 256 I HN 0.141 nan 8.210 nan 0.000 0.407 257 Y N 1.085 121.247 120.300 -0.230 0.000 2.483 257 Y HA -0.175 4.389 4.550 0.023 0.000 0.291 257 Y C 2.300 178.155 175.900 -0.075 0.000 1.143 257 Y CA 0.915 58.937 58.100 -0.131 0.000 1.289 257 Y CB -0.359 38.030 38.460 -0.120 0.000 0.983 257 Y HN 0.236 nan 8.280 nan 0.000 0.556 258 E N -0.412 119.786 120.200 -0.002 0.000 2.435 258 E HA -0.129 4.236 4.350 0.024 0.000 0.195 258 E C 1.777 178.383 176.600 0.010 0.000 1.029 258 E CA 0.042 56.455 56.400 0.021 0.000 0.865 258 E CB 0.043 29.743 29.700 -0.001 0.000 0.833 258 E HN 0.581 nan 8.360 nan 0.000 0.510 259 Q N 0.572 120.360 119.800 -0.020 0.000 2.112 259 Q HA -0.171 4.183 4.340 0.024 0.000 0.206 259 Q C -0.712 175.296 176.000 0.012 0.000 0.987 259 Q CA 1.789 57.585 55.803 -0.012 0.000 0.858 259 Q CB -0.834 27.885 28.738 -0.033 0.000 0.905 259 Q HN 0.349 nan 8.270 nan 0.000 0.420 260 P HA -0.200 nan 4.420 nan 0.000 0.214 260 P C 0.482 177.800 177.300 0.030 0.000 1.163 260 P CA 1.464 64.585 63.100 0.035 0.000 0.889 260 P CB -0.204 31.527 31.700 0.052 0.000 0.790 261 N N 0.686 119.407 118.700 0.035 0.000 2.022 261 N HA -0.155 4.599 4.740 0.024 0.000 0.194 261 N C 2.131 177.654 175.510 0.021 0.000 1.057 261 N CA 1.661 54.730 53.050 0.030 0.000 0.849 261 N CB -1.150 37.359 38.487 0.037 0.000 1.044 261 N HN 0.060 nan 8.380 nan 0.000 0.424 262 A N 1.695 124.526 122.820 0.019 0.000 1.969 262 A HA -0.218 4.117 4.320 0.024 0.000 0.223 262 A C 2.307 179.896 177.584 0.008 0.000 1.218 262 A CA 1.656 53.701 52.037 0.013 0.000 0.667 262 A CB -1.043 17.963 19.000 0.010 0.000 0.826 262 A HN 0.306 nan 8.150 nan 0.000 0.472 263 I N -1.422 119.153 120.570 0.008 0.000 2.394 263 I HA -0.213 3.972 4.170 0.024 0.000 0.251 263 I C 2.432 178.550 176.117 0.001 0.000 1.136 263 I CA 1.554 62.855 61.300 0.002 0.000 1.425 263 I CB -0.183 37.820 38.000 0.005 0.000 1.079 263 I HN 0.240 nan 8.210 nan 0.000 0.425 264 K N 0.990 121.393 120.400 0.007 0.000 2.009 264 K HA -0.202 4.132 4.320 0.024 0.000 0.210 264 K C 1.801 178.403 176.600 0.004 0.000 1.049 264 K CA 2.088 58.379 56.287 0.006 0.000 0.929 264 K CB -0.201 32.305 32.500 0.011 0.000 0.714 264 K HN 0.257 nan 8.250 nan 0.000 0.440 265 N N -0.647 118.057 118.700 0.006 0.000 2.149 265 N HA -0.135 4.619 4.740 0.024 0.000 0.188 265 N C 1.409 176.919 175.510 0.001 0.000 1.019 265 N CA 1.539 54.592 53.050 0.006 0.000 0.857 265 N CB -0.264 38.228 38.487 0.009 0.000 0.997 265 N HN 0.056 nan 8.380 nan 0.000 0.426 266 T N -0.020 114.533 114.554 -0.002 0.000 3.077 266 T HA 0.068 4.432 4.350 0.024 0.000 0.269 266 T C 1.175 175.868 174.700 -0.012 0.000 1.146 266 T CA 0.693 62.788 62.100 -0.008 0.000 1.091 266 T CB -0.047 68.814 68.868 -0.012 0.000 0.892 266 T HN 0.183 nan 8.240 nan 0.000 0.533 267 L N -0.423 120.795 121.223 -0.010 0.000 2.817 267 L HA 0.201 4.556 4.340 0.024 0.000 0.248 267 L C 0.768 177.634 176.870 -0.006 0.000 1.133 267 L CA -0.112 54.721 54.840 -0.012 0.000 0.935 267 L CB 0.145 42.195 42.059 -0.015 0.000 1.266 267 L HN -0.069 nan 8.230 nan 0.000 0.535 268 T N 1.776 116.329 114.554 -0.001 0.000 2.704 268 T HA 0.069 4.434 4.350 0.024 0.000 0.271 268 T C 1.262 175.963 174.700 0.002 0.000 1.000 268 T CA 1.194 63.295 62.100 0.002 0.000 1.216 268 T CB 0.117 68.987 68.868 0.004 0.000 0.961 268 T HN 0.622 nan 8.240 nan 0.000 0.515 269 G N 3.865 112.667 108.800 0.004 0.000 2.361 269 G HA2 -0.354 3.620 3.960 0.024 0.000 0.294 269 G HA3 -0.354 3.620 3.960 0.024 0.000 0.294 269 G C 0.991 175.893 174.900 0.004 0.000 1.004 269 G CA 0.905 46.008 45.100 0.006 0.000 0.870 269 G HN 0.709 nan 8.290 nan 0.000 0.510 270 R N -1.423 119.077 120.500 -0.000 0.000 2.191 270 R HA 0.352 4.706 4.340 0.024 0.000 0.196 270 R C 1.043 177.340 176.300 -0.004 0.000 0.991 270 R CA -0.097 56.000 56.100 -0.004 0.000 1.075 270 R CB 0.220 30.513 30.300 -0.011 0.000 1.040 270 R HN 0.364 nan 8.270 nan 0.000 0.526 271 I N 1.448 122.015 120.570 -0.005 0.000 2.496 271 I HA 0.115 4.299 4.170 0.024 0.000 0.285 271 I C -0.465 175.662 176.117 0.016 0.000 1.080 271 I CA 0.122 61.421 61.300 -0.001 0.000 1.404 271 I CB 1.092 39.086 38.000 -0.011 0.000 1.403 271 I HN 0.180 nan 8.210 nan 0.000 0.539 272 S N 4.213 119.934 115.700 0.036 0.000 2.584 272 S HA 0.351 4.836 4.470 0.024 0.000 0.282 272 S C -0.276 174.410 174.600 0.144 0.000 1.138 272 S CA -0.727 57.512 58.200 0.066 0.000 0.987 272 S CB 0.223 63.453 63.200 0.050 0.000 1.137 272 S HN 0.790 nan 8.310 nan 0.000 0.457 273 H N 2.013 121.088 119.070 0.009 0.000 2.936 273 H HA -0.144 4.427 4.556 0.024 0.000 0.276 273 H C 1.393 176.738 175.328 0.028 0.000 1.216 273 H CA 1.903 57.960 56.048 0.015 0.000 1.132 273 H CB -1.203 28.570 29.762 0.018 0.000 1.303 273 H HN 2.488 nan 8.280 nan 0.000 0.370 274 G N -0.878 107.909 108.800 -0.023 0.000 2.168 274 G HA2 -0.342 3.633 3.960 0.024 0.000 0.263 274 G HA3 -0.342 3.633 3.960 0.024 0.000 0.263 274 G C 0.326 175.274 174.900 0.080 0.000 0.977 274 G CA 0.734 45.815 45.100 -0.033 0.000 0.659 274 G HN 0.714 nan 8.290 nan 0.000 0.533 275 Q N -1.229 118.628 119.800 0.094 0.000 2.385 275 Q HA 0.680 5.035 4.340 0.024 0.000 0.262 275 Q C -0.163 175.849 176.000 0.020 0.000 1.050 275 Q CA -0.938 54.907 55.803 0.070 0.000 0.903 275 Q CB 2.232 31.016 28.738 0.077 0.000 1.325 275 Q HN 0.198 nan 8.270 nan 0.000 0.485 276 V N 1.092 121.000 119.914 -0.009 0.000 2.407 276 V HA 0.181 4.315 4.120 0.024 0.000 0.278 276 V C -0.730 175.360 176.094 -0.007 0.000 1.037 276 V CA -0.497 61.792 62.300 -0.019 0.000 0.900 276 V CB 1.323 33.121 31.823 -0.042 0.000 0.983 276 V HN 0.618 nan 8.190 nan 0.000 0.459 277 D N 4.250 124.648 120.400 -0.002 0.000 2.464 277 D HA 0.429 5.084 4.640 0.024 0.000 0.243 277 D C 0.127 176.426 176.300 -0.001 0.000 1.104 277 D CA -0.210 53.791 54.000 0.002 0.000 0.883 277 D CB 1.249 42.055 40.800 0.009 0.000 1.050 277 D HN 0.431 nan 8.370 nan 0.000 0.524 278 L N 2.094 123.317 121.223 -0.001 0.000 2.808 278 L HA 0.101 4.455 4.340 0.024 0.000 0.246 278 L C 1.927 178.798 176.870 0.001 0.000 1.153 278 L CA -0.038 54.802 54.840 0.000 0.000 0.956 278 L CB 0.233 42.293 42.059 0.002 0.000 1.270 278 L HN 0.255 nan 8.230 nan 0.000 0.528 279 S N -0.321 115.379 115.700 0.001 0.000 2.528 279 S HA -0.188 4.296 4.470 0.024 0.000 0.244 279 S C 1.260 175.861 174.600 0.001 0.000 0.982 279 S CA 0.828 59.028 58.200 0.001 0.000 0.953 279 S CB -0.682 62.517 63.200 -0.000 0.000 0.754 279 S HN 0.632 nan 8.310 nan 0.000 0.529 280 E N 1.133 121.334 120.200 0.001 0.000 2.413 280 E HA 0.167 4.532 4.350 0.024 0.000 0.204 280 E C 0.414 177.015 176.600 0.002 0.000 1.275 280 E CA 0.305 56.706 56.400 0.001 0.000 1.090 280 E CB -0.663 29.037 29.700 0.001 0.000 1.145 280 E HN 0.543 nan 8.360 nan 0.000 0.472 281 L N 0.459 121.683 121.223 0.002 0.000 3.320 281 L HA 0.360 4.715 4.340 0.024 0.000 0.331 281 L C 0.187 177.059 176.870 0.002 0.000 1.306 281 L CA -0.131 54.710 54.840 0.002 0.000 0.892 281 L CB 0.630 42.691 42.059 0.003 0.000 1.337 281 L HN 0.462 nan 8.230 nan 0.000 0.604 282 G N 0.593 109.394 108.800 0.002 0.000 2.767 282 G HA2 -0.175 3.799 3.960 0.024 0.000 0.686 282 G HA3 -0.175 3.799 3.960 0.024 0.000 0.686 282 G C -2.326 172.574 174.900 0.001 0.000 1.213 282 G CA -0.764 44.337 45.100 0.002 0.000 0.803 282 G HN 0.163 nan 8.290 nan 0.000 0.603 283 P HA -0.053 nan 4.420 nan 0.000 0.226 283 P C 1.563 178.864 177.300 0.000 0.000 1.153 283 P CA 0.842 63.942 63.100 -0.000 0.000 0.777 283 P CB 0.166 31.866 31.700 -0.000 0.000 0.794 284 N N -0.178 118.523 118.700 0.001 0.000 2.038 284 N HA -0.067 4.688 4.740 0.024 0.000 0.189 284 N C 1.642 177.153 175.510 0.002 0.000 1.151 284 N CA 1.658 54.709 53.050 0.002 0.000 0.964 284 N CB -0.969 37.520 38.487 0.002 0.000 1.031 284 N HN 0.034 nan 8.380 nan 0.000 0.423 285 A N -0.375 122.447 122.820 0.003 0.000 1.345 285 A HA -0.280 4.054 4.320 0.024 0.000 0.221 285 A C 1.413 178.999 177.584 0.003 0.000 0.422 285 A CA 2.027 54.066 52.037 0.003 0.000 1.098 285 A CB -2.135 16.866 19.000 0.003 0.000 1.468 285 A HN 0.584 nan 8.150 nan 0.000 0.722 286 D N 0.169 120.570 120.400 0.002 0.000 2.194 286 D HA 0.071 4.725 4.640 0.024 0.000 0.204 286 D C 1.725 178.026 176.300 0.001 0.000 0.964 286 D CA 1.625 55.625 54.000 0.001 0.000 0.846 286 D CB -0.296 40.503 40.800 -0.000 0.000 0.962 286 D HN 0.861 nan 8.370 nan 0.000 0.490 287 E N 0.928 121.129 120.200 0.001 0.000 2.230 287 E HA -0.055 4.309 4.350 0.024 0.000 0.192 287 E C 1.950 178.551 176.600 0.001 0.000 0.987 287 E CA -0.105 56.295 56.400 0.000 0.000 0.841 287 E CB -0.473 29.227 29.700 -0.000 0.000 0.783 287 E HN 0.027 nan 8.360 nan 0.000 0.481 288 L N 1.337 122.562 121.223 0.003 0.000 1.957 288 L HA -0.211 4.143 4.340 0.024 0.000 0.228 288 L C 2.052 178.924 176.870 0.003 0.000 1.086 288 L CA 1.921 56.763 54.840 0.004 0.000 0.796 288 L CB -1.141 40.922 42.059 0.006 0.000 0.900 288 L HN 0.273 nan 8.230 nan 0.000 0.439 289 L N -0.434 120.790 121.223 0.002 0.000 2.261 289 L HA -0.181 4.174 4.340 0.024 0.000 0.216 289 L C 2.230 179.098 176.870 -0.002 0.000 1.114 289 L CA 1.246 56.085 54.840 -0.001 0.000 0.777 289 L CB -0.565 41.496 42.059 0.003 0.000 0.910 289 L HN 0.507 nan 8.230 nan 0.000 0.440 290 S N -2.008 113.691 115.700 -0.001 0.000 2.548 290 S HA 0.028 4.513 4.470 0.024 0.000 0.215 290 S C 1.665 176.264 174.600 -0.002 0.000 0.976 290 S CA -0.170 58.029 58.200 -0.001 0.000 0.908 290 S CB 0.086 63.286 63.200 -0.001 0.000 0.781 290 S HN 0.344 nan 8.310 nan 0.000 0.519 291 K N 1.238 121.637 120.400 -0.002 0.000 2.361 291 K HA 0.215 4.549 4.320 0.024 0.000 0.196 291 K C -0.188 176.411 176.600 -0.001 0.000 1.039 291 K CA 0.079 56.365 56.287 -0.001 0.000 1.001 291 K CB 0.169 32.669 32.500 -0.000 0.000 0.795 291 K HN 0.239 nan 8.250 nan 0.000 0.495 292 V N 3.472 123.384 119.914 -0.004 0.000 2.493 292 V HA -0.074 4.060 4.120 0.024 0.000 0.292 292 V C 0.529 176.619 176.094 -0.006 0.000 1.016 292 V CA 0.800 63.096 62.300 -0.007 0.000 1.097 292 V CB 0.232 32.038 31.823 -0.028 0.000 0.947 292 V HN 0.331 nan 8.190 nan 0.000 0.479 293 E N 4.059 124.266 120.200 0.011 0.000 2.789 293 E HA 0.351 4.716 4.350 0.024 0.000 0.208 293 E C -0.066 176.580 176.600 0.077 0.000 0.988 293 E CA -0.320 56.094 56.400 0.023 0.000 1.092 293 E CB 0.659 30.371 29.700 0.021 0.000 1.066 293 E HN 0.747 nan 8.360 nan 0.000 0.465 294 H N 0.876 119.908 119.070 -0.064 0.000 3.120 294 H HA 0.182 4.752 4.556 0.024 0.000 0.314 294 H C -1.667 173.605 175.328 -0.092 0.000 1.151 294 H CA -0.628 55.377 56.048 -0.072 0.000 1.404 294 H CB 1.064 30.799 29.762 -0.045 0.000 2.031 294 H HN 0.011 nan 8.280 nan 0.000 0.513 295 I N 3.598 123.818 120.570 -0.582 0.000 2.378 295 I HA 0.188 4.372 4.170 0.024 0.000 0.291 295 I C 0.028 175.936 176.117 -0.348 0.000 0.992 295 I CA -0.606 60.446 61.300 -0.413 0.000 1.154 295 I CB 1.573 39.215 38.000 -0.597 0.000 1.315 295 I HN 0.464 nan 8.210 nan 0.000 0.448 296 Q N 6.373 126.138 119.800 -0.059 0.000 2.341 296 Q HA 0.574 4.928 4.340 0.024 0.000 0.268 296 Q C -1.106 174.806 176.000 -0.146 0.000 1.013 296 Q CA -0.246 55.537 55.803 -0.033 0.000 0.798 296 Q CB 1.412 30.197 28.738 0.078 0.000 1.253 296 Q HN 0.546 nan 8.270 nan 0.000 0.457 297 I N 3.816 124.307 120.570 -0.132 0.000 2.577 297 I HA 0.475 4.659 4.170 0.024 0.000 0.305 297 I C -0.380 175.661 176.117 -0.126 0.000 0.986 297 I CA -1.102 60.130 61.300 -0.113 0.000 1.189 297 I CB 1.332 39.297 38.000 -0.057 0.000 1.355 297 I HN 0.489 nan 8.210 nan 0.000 0.476 298 L N 4.482 125.638 121.223 -0.111 0.000 2.620 298 L HA 0.613 4.968 4.340 0.024 0.000 0.261 298 L C -0.627 176.230 176.870 -0.023 0.000 0.978 298 L CA -0.041 54.737 54.840 -0.103 0.000 0.897 298 L CB 1.534 43.441 42.059 -0.254 0.000 1.207 298 L HN 0.912 nan 8.230 nan 0.000 0.425 299 A N 2.105 124.965 122.820 0.068 0.000 2.593 299 A HA 0.868 5.203 4.320 0.024 0.000 0.304 299 A C -1.576 176.070 177.584 0.103 0.000 1.233 299 A CA -0.411 51.669 52.037 0.073 0.000 0.661 299 A CB 1.804 20.848 19.000 0.075 0.000 1.338 299 A HN 0.529 nan 8.150 nan 0.000 0.495 300 C N -0.493 118.852 119.300 0.075 0.000 2.498 300 C HA 0.860 5.335 4.460 0.024 0.000 0.316 300 C C 1.129 176.154 174.990 0.059 0.000 1.209 300 C CA 0.409 59.448 59.018 0.035 0.000 1.518 300 C CB 0.361 28.104 27.740 0.005 0.000 2.147 300 C HN 2.488 nan 8.230 nan 0.000 0.483 301 G N 3.006 111.827 108.800 0.034 0.000 2.514 301 G HA2 -0.273 3.702 3.960 0.024 0.000 0.265 301 G HA3 -0.273 3.702 3.960 0.024 0.000 0.265 301 G C 0.861 175.808 174.900 0.078 0.000 1.150 301 G CA 0.596 45.715 45.100 0.031 0.000 0.959 301 G HN 0.691 nan 8.290 nan 0.000 0.556 302 T N 1.083 115.657 114.554 0.033 0.000 2.833 302 T HA -0.011 4.353 4.350 0.024 0.000 0.269 302 T C 2.733 177.538 174.700 0.176 0.000 1.054 302 T CA 2.242 64.352 62.100 0.017 0.000 1.135 302 T CB -0.411 68.424 68.868 -0.055 0.000 0.869 302 T HN 0.541 nan 8.240 nan 0.000 0.466 303 S N 0.365 116.160 115.700 0.158 0.000 2.382 303 S HA -0.109 4.376 4.470 0.024 0.000 0.228 303 S C 1.662 176.366 174.600 0.173 0.000 1.027 303 S CA 0.959 59.256 58.200 0.161 0.000 0.991 303 S CB -0.424 62.839 63.200 0.105 0.000 0.823 303 S HN 0.703 nan 8.310 nan 0.000 0.469 304 Y N 2.868 123.195 120.300 0.045 0.000 2.242 304 Y HA -0.123 4.441 4.550 0.024 0.000 0.291 304 Y C 1.962 177.890 175.900 0.047 0.000 1.137 304 Y CA 1.262 59.380 58.100 0.030 0.000 1.181 304 Y CB -0.383 38.086 38.460 0.014 0.000 0.989 304 Y HN 0.148 nan 8.280 nan 0.000 0.527 305 N N 0.432 119.218 118.700 0.143 0.000 2.013 305 N HA -0.243 4.511 4.740 0.024 0.000 0.195 305 N C 2.269 177.855 175.510 0.127 0.000 1.051 305 N CA 2.066 55.165 53.050 0.083 0.000 0.851 305 N CB -1.067 37.480 38.487 0.100 0.000 1.044 305 N HN 0.562 nan 8.380 nan 0.000 0.422 306 S N 0.018 115.917 115.700 0.331 0.000 2.368 306 S HA -0.176 4.308 4.470 0.024 0.000 0.226 306 S C 2.207 176.739 174.600 -0.114 0.000 1.044 306 S CA 1.928 60.102 58.200 -0.044 0.000 1.062 306 S CB -1.291 61.801 63.200 -0.179 0.000 0.931 306 S HN 0.404 nan 8.310 nan 0.000 0.440 307 G N 2.072 110.831 108.800 -0.069 0.000 2.529 307 G HA2 -0.232 3.743 3.960 0.024 0.000 0.219 307 G HA3 -0.232 3.743 3.960 0.024 0.000 0.219 307 G C 1.551 176.359 174.900 -0.154 0.000 1.177 307 G CA 1.452 46.500 45.100 -0.086 0.000 0.773 307 G HN 0.443 nan 8.290 nan 0.000 0.573 308 M N 0.300 119.741 119.600 -0.264 0.000 2.195 308 M HA -0.087 4.408 4.480 0.024 0.000 0.260 308 M C 2.739 178.987 176.300 -0.087 0.000 1.066 308 M CA 0.836 55.976 55.300 -0.267 0.000 1.089 308 M CB -0.966 31.419 32.600 -0.359 0.000 1.377 308 M HN 0.164 nan 8.290 nan 0.000 0.411 309 V N 0.232 120.057 119.914 -0.148 0.000 2.229 309 V HA -0.251 3.883 4.120 0.024 0.000 0.243 309 V C 2.469 178.311 176.094 -0.420 0.000 1.042 309 V CA 2.112 64.241 62.300 -0.284 0.000 1.000 309 V CB -1.322 30.213 31.823 -0.479 0.000 0.637 309 V HN 0.604 nan 8.190 nan 0.000 0.446 310 S N 0.750 116.236 115.700 -0.357 0.000 2.419 310 S HA -0.312 4.172 4.470 0.024 0.000 0.235 310 S C 2.047 176.679 174.600 0.053 0.000 1.019 310 S CA 1.852 59.963 58.200 -0.148 0.000 0.982 310 S CB -0.726 62.508 63.200 0.057 0.000 0.789 310 S HN 0.579 nan 8.310 nan 0.000 0.490 311 R N -0.078 120.444 120.500 0.035 0.000 2.091 311 R HA -0.151 4.203 4.340 0.024 0.000 0.238 311 R C 1.890 178.165 176.300 -0.041 0.000 1.136 311 R CA 1.751 57.867 56.100 0.027 0.000 0.959 311 R CB -0.535 29.670 30.300 -0.159 0.000 0.856 311 R HN 0.541 nan 8.270 nan 0.000 0.437 312 Y N -0.602 119.651 120.300 -0.078 0.000 2.165 312 Y HA -0.297 4.268 4.550 0.024 0.000 0.286 312 Y C 2.162 178.112 175.900 0.084 0.000 1.155 312 Y CA 1.508 59.572 58.100 -0.061 0.000 1.164 312 Y CB -0.384 37.949 38.460 -0.211 0.000 0.978 312 Y HN 0.184 nan 8.280 nan 0.000 0.513 313 W N -0.749 120.610 121.300 0.098 0.000 2.360 313 W HA -0.167 4.508 4.660 0.025 0.000 0.323 313 W C 2.197 178.701 176.519 -0.027 0.000 1.181 313 W CA 0.698 58.015 57.345 -0.046 0.000 1.261 313 W CB -1.721 27.593 29.460 -0.243 0.000 1.195 313 W HN 0.027 nan 8.180 nan 0.000 0.454 314 F N 0.933 121.044 119.950 0.267 0.000 2.104 314 F HA -0.368 4.173 4.527 0.024 0.000 0.289 314 F C 2.357 178.195 175.800 0.063 0.000 1.115 314 F CA 2.340 60.402 58.000 0.103 0.000 1.273 314 F CB -1.584 37.443 39.000 0.044 0.000 0.933 314 F HN 0.085 nan 8.300 nan 0.000 0.517 315 E N -0.748 119.605 120.200 0.254 0.000 2.209 315 E HA -0.186 4.178 4.350 0.024 0.000 0.196 315 E C 2.217 178.889 176.600 0.121 0.000 0.993 315 E CA 1.728 58.204 56.400 0.127 0.000 0.819 315 E CB -0.358 29.371 29.700 0.048 0.000 0.745 315 E HN 0.552 nan 8.360 nan 0.000 0.477 316 S N -0.948 114.844 115.700 0.154 0.000 2.539 316 S HA 0.136 4.620 4.470 0.024 0.000 0.226 316 S C 1.864 176.528 174.600 0.108 0.000 1.054 316 S CA -0.316 57.962 58.200 0.131 0.000 0.910 316 S CB 0.100 63.394 63.200 0.157 0.000 0.818 316 S HN 0.071 nan 8.310 nan 0.000 0.490 317 L N 0.816 122.107 121.223 0.114 0.000 2.265 317 L HA 0.443 4.797 4.340 0.024 0.000 0.195 317 L C 2.778 179.679 176.870 0.052 0.000 1.083 317 L CA 1.060 55.933 54.840 0.055 0.000 0.798 317 L CB -0.504 41.555 42.059 -0.000 0.000 0.989 317 L HN 0.443 nan 8.230 nan 0.000 0.472 318 A N -0.450 122.430 122.820 0.099 0.000 2.275 318 A HA 0.269 4.603 4.320 0.024 0.000 0.212 318 A C 1.678 179.320 177.584 0.097 0.000 1.201 318 A CA 0.645 52.748 52.037 0.110 0.000 0.843 318 A CB -0.457 18.663 19.000 0.200 0.000 0.873 318 A HN 0.557 nan 8.150 nan 0.000 0.492 319 G N -0.442 108.415 108.800 0.095 0.000 2.200 319 G HA2 -0.282 3.693 3.960 0.024 0.000 0.267 319 G HA3 -0.282 3.693 3.960 0.024 0.000 0.267 319 G C 0.166 175.097 174.900 0.052 0.000 0.993 319 G CA 0.797 45.938 45.100 0.068 0.000 0.701 319 G HN 0.534 nan 8.290 nan 0.000 0.524 320 I N 1.730 122.336 120.570 0.059 0.000 2.315 320 I HA 0.260 4.444 4.170 0.024 0.000 0.291 320 I C -1.836 174.249 176.117 -0.052 0.000 1.006 320 I CA -2.431 58.865 61.300 -0.007 0.000 1.265 320 I CB 1.358 39.323 38.000 -0.059 0.000 1.387 320 I HN -0.174 nan 8.210 nan 0.000 0.475 321 P HA -0.102 nan 4.420 nan 0.000 0.261 321 P C -0.778 176.325 177.300 -0.328 0.000 1.173 321 P CA 0.047 63.090 63.100 -0.096 0.000 0.760 321 P CB 0.319 32.046 31.700 0.046 0.000 0.783 322 C N 4.117 123.264 119.300 -0.256 0.000 2.547 322 C HA 0.477 4.952 4.460 0.024 0.000 0.313 322 C C -1.283 173.582 174.990 -0.208 0.000 1.191 322 C CA -0.306 58.517 59.018 -0.325 0.000 1.474 322 C CB 1.060 28.706 27.740 -0.157 0.000 2.081 322 C HN 0.489 nan 8.230 nan 0.000 0.476 323 D N 3.136 123.412 120.400 -0.206 0.000 2.649 323 D HA 0.589 5.243 4.640 0.024 0.000 0.249 323 D C -0.691 175.585 176.300 -0.040 0.000 1.112 323 D CA 0.058 54.036 54.000 -0.037 0.000 0.850 323 D CB 2.241 43.120 40.800 0.132 0.000 1.399 323 D HN 0.522 nan 8.370 nan 0.000 0.503 324 V N -0.250 119.650 119.914 -0.024 0.000 2.628 324 V HA 0.779 4.913 4.120 0.024 0.000 0.306 324 V C -0.184 175.978 176.094 0.113 0.000 1.045 324 V CA -0.812 61.477 62.300 -0.019 0.000 0.905 324 V CB 2.247 33.985 31.823 -0.142 0.000 0.997 324 V HN 0.492 nan 8.190 nan 0.000 0.436 325 E N 2.346 122.658 120.200 0.187 0.000 2.352 325 E HA 0.503 4.867 4.350 0.024 0.000 0.280 325 E C -1.180 175.587 176.600 0.279 0.000 0.930 325 E CA -0.907 55.658 56.400 0.275 0.000 0.765 325 E CB 2.232 32.043 29.700 0.185 0.000 1.219 325 E HN 0.777 nan 8.360 nan 0.000 0.434 326 I N 4.035 124.678 120.570 0.121 0.000 2.662 326 I HA -0.049 4.135 4.170 0.024 0.000 0.285 326 I C 1.584 177.720 176.117 0.031 0.000 1.161 326 I CA 0.341 61.590 61.300 -0.086 0.000 1.415 326 I CB 0.600 38.438 38.000 -0.270 0.000 1.385 326 I HN 0.810 nan 8.210 nan 0.000 0.552 327 A N 6.130 128.965 122.820 0.026 0.000 1.870 327 A HA -0.287 4.048 4.320 0.024 0.000 0.219 327 A C 2.381 179.987 177.584 0.036 0.000 1.224 327 A CA 2.897 54.956 52.037 0.036 0.000 0.650 327 A CB -1.151 17.852 19.000 0.005 0.000 0.836 327 A HN 0.878 nan 8.150 nan 0.000 0.454 328 S N -0.362 115.338 115.700 0.001 0.000 2.400 328 S HA -0.280 4.204 4.470 0.024 0.000 0.234 328 S C 1.641 176.283 174.600 0.070 0.000 1.049 328 S CA 1.701 59.902 58.200 0.001 0.000 1.039 328 S CB -0.549 62.735 63.200 0.139 0.000 0.856 328 S HN 0.587 nan 8.310 nan 0.000 0.465 329 E N 0.587 120.848 120.200 0.102 0.000 2.072 329 E HA 0.031 4.396 4.350 0.024 0.000 0.191 329 E C 1.642 178.319 176.600 0.129 0.000 0.985 329 E CA 0.694 57.173 56.400 0.132 0.000 0.801 329 E CB -0.533 29.231 29.700 0.107 0.000 0.750 329 E HN 0.633 nan 8.360 nan 0.000 0.452 330 F N 2.526 122.471 119.950 -0.010 0.000 2.075 330 F HA -0.190 4.351 4.527 0.024 0.000 0.297 330 F C 2.368 178.121 175.800 -0.079 0.000 1.113 330 F CA 1.986 59.974 58.000 -0.021 0.000 1.218 330 F CB -0.144 38.841 39.000 -0.025 0.000 0.984 330 F HN -0.035 nan 8.300 nan 0.000 0.472 331 R N -1.129 119.278 120.500 -0.155 0.000 2.357 331 R HA -0.138 4.217 4.340 0.024 0.000 0.202 331 R C -0.259 175.733 176.300 -0.513 0.000 1.047 331 R CA 1.159 57.023 56.100 -0.395 0.000 1.034 331 R CB -0.811 29.211 30.300 -0.462 0.000 0.875 331 R HN 0.383 nan 8.270 nan 0.000 0.473 332 Y N 1.297 121.549 120.300 -0.080 0.000 2.698 332 Y HA 0.356 4.920 4.550 0.024 0.000 0.261 332 Y C -0.350 175.500 175.900 -0.084 0.000 1.104 332 Y CA -1.047 57.012 58.100 -0.068 0.000 1.145 332 Y CB 0.406 38.846 38.460 -0.033 0.000 1.191 332 Y HN 0.097 nan 8.280 nan 0.000 0.564 333 R N -1.023 119.448 120.500 -0.049 0.000 2.698 333 R HA 0.459 4.813 4.340 0.024 0.000 0.275 333 R C -0.878 175.338 176.300 -0.140 0.000 1.001 333 R CA -1.081 54.980 56.100 -0.063 0.000 0.896 333 R CB 1.539 31.817 30.300 -0.037 0.000 1.218 333 R HN -0.133 nan 8.270 nan 0.000 0.462 334 K N 2.623 122.973 120.400 -0.084 0.000 2.245 334 K HA 0.076 4.411 4.320 0.024 0.000 0.281 334 K C -0.698 175.852 176.600 -0.083 0.000 1.079 334 K CA 0.134 56.370 56.287 -0.085 0.000 1.000 334 K CB 0.323 32.796 32.500 -0.045 0.000 1.038 334 K HN 0.728 nan 8.250 nan 0.000 0.430 335 S N 1.770 117.392 115.700 -0.129 0.000 2.584 335 S HA 0.365 4.850 4.470 0.024 0.000 0.273 335 S C 0.130 174.730 174.600 0.001 0.000 1.311 335 S CA -1.016 57.154 58.200 -0.049 0.000 1.034 335 S CB 1.756 64.925 63.200 -0.050 0.000 0.939 335 S HN 0.532 nan 8.310 nan 0.000 0.513 336 A N 2.696 125.531 122.820 0.024 0.000 2.910 336 A HA 0.531 4.866 4.320 0.024 0.000 0.316 336 A C 0.423 177.990 177.584 -0.027 0.000 1.493 336 A CA -0.932 51.099 52.037 -0.009 0.000 1.150 336 A CB -1.128 17.862 19.000 -0.018 0.000 1.159 336 A HN 0.973 nan 8.150 nan 0.000 0.526 337 V N 0.486 120.374 119.914 -0.043 0.000 2.960 337 V HA -0.121 4.013 4.120 0.024 0.000 0.282 337 V C 0.708 176.669 176.094 -0.222 0.000 1.420 337 V CA 0.566 62.765 62.300 -0.169 0.000 1.448 337 V CB -0.634 31.029 31.823 -0.266 0.000 0.886 337 V HN 0.835 nan 8.190 nan 0.000 0.522 338 R N 2.535 122.840 120.500 -0.325 0.000 2.643 338 R HA 0.538 4.893 4.340 0.024 0.000 0.272 338 R C 0.043 176.197 176.300 -0.244 0.000 0.995 338 R CA -0.917 54.972 56.100 -0.351 0.000 1.032 338 R CB 0.941 30.794 30.300 -0.745 0.000 1.126 338 R HN 0.687 nan 8.270 nan 0.000 0.505 339 R N 2.813 123.213 120.500 -0.167 0.000 2.446 339 R HA -0.011 4.344 4.340 0.024 0.000 0.314 339 R C -0.457 175.802 176.300 -0.068 0.000 1.003 339 R CA 0.145 56.184 56.100 -0.102 0.000 1.018 339 R CB -0.179 30.081 30.300 -0.066 0.000 0.945 339 R HN 0.633 nan 8.270 nan 0.000 0.419 340 N N 1.170 119.828 118.700 -0.070 0.000 2.641 340 N HA -0.177 4.577 4.740 0.024 0.000 0.267 340 N C -1.007 174.507 175.510 0.007 0.000 1.087 340 N CA 0.716 53.747 53.050 -0.032 0.000 0.731 340 N CB -0.486 37.996 38.487 -0.010 0.000 0.886 340 N HN 0.480 nan 8.380 nan 0.000 0.547 341 S N 0.580 116.271 115.700 -0.014 0.000 2.537 341 S HA 0.449 4.933 4.470 0.024 0.000 0.275 341 S C 0.282 175.015 174.600 0.221 0.000 1.272 341 S CA -0.661 57.624 58.200 0.141 0.000 1.050 341 S CB 1.203 64.450 63.200 0.078 0.000 0.961 341 S HN 0.365 nan 8.310 nan 0.000 0.496 342 L N 4.848 126.172 121.223 0.168 0.000 2.307 342 L HA 0.657 5.012 4.340 0.024 0.000 0.282 342 L C -0.391 176.519 176.870 0.066 0.000 1.051 342 L CA -0.375 54.529 54.840 0.107 0.000 0.804 342 L CB 1.238 43.296 42.059 -0.001 0.000 1.197 342 L HN 0.670 nan 8.230 nan 0.000 0.431 343 M N 6.734 126.324 119.600 -0.016 0.000 2.206 343 M HA 0.463 4.957 4.480 0.024 0.000 0.353 343 M C -1.316 174.891 176.300 -0.155 0.000 1.242 343 M CA 0.070 55.238 55.300 -0.221 0.000 1.179 343 M CB -0.244 32.087 32.600 -0.448 0.000 1.374 343 M HN 0.463 nan 8.290 nan 0.000 0.427 344 I N 4.334 124.822 120.570 -0.137 0.000 2.325 344 I HA 0.330 4.514 4.170 0.024 0.000 0.291 344 I C 0.283 176.335 176.117 -0.109 0.000 1.019 344 I CA -0.522 60.723 61.300 -0.091 0.000 1.302 344 I CB 1.096 39.065 38.000 -0.051 0.000 1.401 344 I HN 0.675 nan 8.210 nan 0.000 0.485 345 T N 5.437 119.939 114.554 -0.087 0.000 2.770 345 T HA 0.632 4.997 4.350 0.024 0.000 0.283 345 T C -0.552 174.130 174.700 -0.031 0.000 0.988 345 T CA -0.739 61.317 62.100 -0.073 0.000 0.957 345 T CB 0.878 69.697 68.868 -0.081 0.000 0.930 345 T HN 0.323 nan 8.240 nan 0.000 0.443 346 L N 3.301 124.518 121.223 -0.010 0.000 2.312 346 L HA 0.727 5.082 4.340 0.024 0.000 0.281 346 L C 0.447 177.328 176.870 0.017 0.000 1.070 346 L CA -0.283 54.564 54.840 0.011 0.000 0.805 346 L CB 1.606 43.680 42.059 0.026 0.000 1.174 346 L HN 0.930 nan 8.230 nan 0.000 0.434 347 S N 1.083 116.794 115.700 0.018 0.000 2.579 347 S HA 0.103 4.588 4.470 0.024 0.000 0.290 347 S C -0.095 174.517 174.600 0.019 0.000 1.123 347 S CA -0.593 57.619 58.200 0.020 0.000 0.894 347 S CB 1.621 64.827 63.200 0.009 0.000 1.095 347 S HN 0.674 nan 8.310 nan 0.000 0.450 348 Q N 2.173 121.987 119.800 0.023 0.000 2.137 348 Q HA -0.008 4.346 4.340 0.024 0.000 0.198 348 Q C 1.557 177.562 176.000 0.008 0.000 0.960 348 Q CA 2.294 58.108 55.803 0.018 0.000 0.847 348 Q CB -0.161 28.590 28.738 0.021 0.000 0.915 348 Q HN 0.840 nan 8.270 nan 0.000 0.448 349 S N -1.997 113.707 115.700 0.005 0.000 2.497 349 S HA 0.220 4.705 4.470 0.024 0.000 0.218 349 S C 1.323 175.922 174.600 -0.001 0.000 1.023 349 S CA 0.505 58.704 58.200 -0.000 0.000 0.913 349 S CB 0.271 63.469 63.200 -0.002 0.000 0.800 349 S HN 0.460 nan 8.310 nan 0.000 0.505 350 G N 1.892 110.692 108.800 -0.000 0.000 2.341 350 G HA2 -0.231 3.743 3.960 0.024 0.000 0.292 350 G HA3 -0.231 3.743 3.960 0.024 0.000 0.292 350 G C 0.313 175.211 174.900 -0.004 0.000 1.021 350 G CA 0.675 45.773 45.100 -0.003 0.000 0.905 350 G HN 0.530 nan 8.290 nan 0.000 0.508 351 E N -0.986 119.212 120.200 -0.003 0.000 2.676 351 E HA 0.063 4.428 4.350 0.024 0.000 0.225 351 E C 0.595 177.193 176.600 -0.002 0.000 0.944 351 E CA 0.006 56.404 56.400 -0.003 0.000 1.156 351 E CB 0.391 30.088 29.700 -0.003 0.000 1.117 351 E HN 0.299 nan 8.360 nan 0.000 0.523 352 T N 2.073 116.626 114.554 -0.002 0.000 2.754 352 T HA 0.164 4.528 4.350 0.024 0.000 0.282 352 T C 1.428 176.126 174.700 -0.002 0.000 0.923 352 T CA 0.506 62.606 62.100 -0.000 0.000 1.164 352 T CB 0.839 69.708 68.868 0.002 0.000 0.873 352 T HN 0.162 nan 8.240 nan 0.000 0.537 353 A N 3.933 126.753 122.820 0.000 0.000 1.903 353 A HA -0.202 4.132 4.320 0.024 0.000 0.219 353 A C 2.223 179.802 177.584 -0.009 0.000 1.191 353 A CA 1.815 53.852 52.037 0.000 0.000 0.638 353 A CB -0.436 18.569 19.000 0.009 0.000 0.823 353 A HN 0.696 nan 8.150 nan 0.000 0.451 354 D N -1.200 119.195 120.400 -0.007 0.000 2.178 354 D HA -0.089 4.566 4.640 0.024 0.000 0.202 354 D C 2.322 178.605 176.300 -0.028 0.000 0.974 354 D CA 1.945 55.931 54.000 -0.023 0.000 0.841 354 D CB -0.126 40.670 40.800 -0.005 0.000 0.953 354 D HN 0.660 nan 8.370 nan 0.000 0.478 355 T N -1.328 113.216 114.554 -0.017 0.000 2.866 355 T HA -0.046 4.318 4.350 0.024 0.000 0.250 355 T C 2.045 176.730 174.700 -0.025 0.000 1.033 355 T CA 0.158 62.245 62.100 -0.021 0.000 1.145 355 T CB -0.680 68.177 68.868 -0.017 0.000 0.866 355 T HN -0.003 nan 8.240 nan 0.000 0.434 356 L N 2.548 123.759 121.223 -0.020 0.000 2.030 356 L HA -0.176 4.178 4.340 0.024 0.000 0.222 356 L C 2.834 179.693 176.870 -0.018 0.000 1.082 356 L CA 2.285 57.114 54.840 -0.018 0.000 0.785 356 L CB -1.332 40.720 42.059 -0.011 0.000 0.895 356 L HN 0.428 nan 8.230 nan 0.000 0.439 357 A N -1.142 121.667 122.820 -0.020 0.000 1.933 357 A HA -0.054 4.280 4.320 0.024 0.000 0.218 357 A C 2.323 179.904 177.584 -0.005 0.000 1.175 357 A CA 1.512 53.535 52.037 -0.024 0.000 0.628 357 A CB -1.459 17.511 19.000 -0.051 0.000 0.814 357 A HN 0.571 nan 8.150 nan 0.000 0.444 358 G N -0.497 108.309 108.800 0.010 0.000 2.448 358 G HA2 -0.064 3.910 3.960 0.024 0.000 0.219 358 G HA3 -0.064 3.910 3.960 0.024 0.000 0.219 358 G C 1.433 176.363 174.900 0.051 0.000 1.127 358 G CA 1.195 46.356 45.100 0.103 0.000 0.766 358 G HN 0.511 nan 8.290 nan 0.000 0.552 359 L N 0.081 121.290 121.223 -0.024 0.000 2.102 359 L HA 0.285 4.640 4.340 0.024 0.000 0.202 359 L C 2.804 179.666 176.870 -0.014 0.000 1.076 359 L CA 1.247 56.051 54.840 -0.060 0.000 0.761 359 L CB -0.454 41.567 42.059 -0.064 0.000 0.921 359 L HN 0.065 nan 8.230 nan 0.000 0.444 360 R N -0.565 119.936 120.500 0.002 0.000 2.091 360 R HA -0.177 4.177 4.340 0.024 0.000 0.238 360 R C 2.236 178.557 176.300 0.035 0.000 1.136 360 R CA 1.775 57.883 56.100 0.014 0.000 0.959 360 R CB -0.798 29.505 30.300 0.005 0.000 0.856 360 R HN 0.342 nan 8.270 nan 0.000 0.437 361 L N 0.960 122.213 121.223 0.049 0.000 2.046 361 L HA -0.213 4.142 4.340 0.024 0.000 0.208 361 L C 2.413 179.367 176.870 0.141 0.000 1.077 361 L CA 2.095 56.977 54.840 0.069 0.000 0.747 361 L CB -0.458 41.619 42.059 0.031 0.000 0.896 361 L HN 0.235 nan 8.230 nan 0.000 0.432 362 S N -0.997 114.804 115.700 0.169 0.000 2.383 362 S HA -0.236 4.248 4.470 0.024 0.000 0.229 362 S C 2.003 176.732 174.600 0.215 0.000 1.030 362 S CA 1.044 59.359 58.200 0.191 0.000 1.002 362 S CB -0.591 62.454 63.200 -0.259 0.000 0.829 362 S HN 0.451 nan 8.310 nan 0.000 0.467 363 K N 2.023 122.487 120.400 0.107 0.000 2.032 363 K HA -0.224 4.110 4.320 0.024 0.000 0.218 363 K C 1.929 178.595 176.600 0.109 0.000 1.054 363 K CA 2.167 58.510 56.287 0.092 0.000 0.941 363 K CB -0.748 31.784 32.500 0.052 0.000 0.720 363 K HN 0.869 nan 8.250 nan 0.000 0.449 364 E N 0.615 120.872 120.200 0.094 0.000 2.463 364 E HA 0.037 4.401 4.350 0.024 0.000 0.191 364 E C 1.490 178.137 176.600 0.078 0.000 1.083 364 E CA 0.097 56.539 56.400 0.070 0.000 0.872 364 E CB -0.079 29.648 29.700 0.044 0.000 0.966 364 E HN 0.251 nan 8.360 nan 0.000 0.491 365 L N -0.357 120.947 121.223 0.135 0.000 2.672 365 L HA 0.299 4.653 4.340 0.024 0.000 0.236 365 L C 1.097 177.974 176.870 0.012 0.000 1.092 365 L CA 0.398 55.308 54.840 0.117 0.000 0.887 365 L CB 0.739 42.959 42.059 0.267 0.000 1.168 365 L HN 0.413 nan 8.230 nan 0.000 0.502 366 G N -0.748 108.061 108.800 0.015 0.000 2.155 366 G HA2 -0.253 3.721 3.960 0.024 0.000 0.135 366 G HA3 -0.253 3.721 3.960 0.024 0.000 0.135 366 G C -0.357 174.447 174.900 -0.161 0.000 1.023 366 G CA -0.717 44.334 45.100 -0.081 0.000 0.688 366 G HN 0.121 nan 8.290 nan 0.000 0.499 367 Y N 0.618 120.932 120.300 0.023 0.000 2.436 367 Y HA 0.391 4.955 4.550 0.024 0.000 0.343 367 Y C 1.995 177.899 175.900 0.007 0.000 1.008 367 Y CA -0.240 57.870 58.100 0.018 0.000 1.241 367 Y CB 0.974 39.447 38.460 0.022 0.000 1.153 367 Y HN 0.151 nan 8.280 nan 0.000 0.521 368 L N 2.568 123.851 121.223 0.100 0.000 2.123 368 L HA -0.248 4.106 4.340 0.024 0.000 0.217 368 L C 1.088 178.004 176.870 0.076 0.000 1.081 368 L CA 2.040 56.918 54.840 0.064 0.000 0.772 368 L CB -0.358 41.731 42.059 0.050 0.000 0.890 368 L HN 0.943 nan 8.230 nan 0.000 0.437 369 G N -2.386 106.481 108.800 0.110 0.000 2.315 369 G HA2 0.252 4.226 3.960 0.024 0.000 0.294 369 G HA3 0.252 4.226 3.960 0.024 0.000 0.294 369 G C -1.416 173.513 174.900 0.048 0.000 1.300 369 G CA 0.069 45.209 45.100 0.067 0.000 0.843 369 G HN 0.093 nan 8.290 nan 0.000 0.527 370 S N -0.617 115.090 115.700 0.011 0.000 2.652 370 S HA 0.548 5.032 4.470 0.024 0.000 0.252 370 S C -0.977 173.608 174.600 -0.025 0.000 1.219 370 S CA -0.562 57.624 58.200 -0.024 0.000 1.151 370 S CB 1.204 64.383 63.200 -0.034 0.000 1.080 370 S HN 1.599 nan 8.310 nan 0.000 0.481 371 L N 4.213 125.418 121.223 -0.030 0.000 2.260 371 L HA 0.793 5.148 4.340 0.024 0.000 0.289 371 L C 0.064 176.917 176.870 -0.027 0.000 1.057 371 L CA -0.191 54.637 54.840 -0.020 0.000 0.811 371 L CB 0.769 42.823 42.059 -0.008 0.000 1.184 371 L HN 0.839 nan 8.230 nan 0.000 0.429 372 A N 7.304 130.112 122.820 -0.021 0.000 2.582 372 A HA 0.510 4.844 4.320 0.024 0.000 0.336 372 A C -0.041 177.539 177.584 -0.007 0.000 1.445 372 A CA -0.532 51.493 52.037 -0.020 0.000 0.997 372 A CB -0.713 18.275 19.000 -0.020 0.000 1.148 372 A HN 0.740 nan 8.150 nan 0.000 0.514 373 I N 1.716 122.286 120.570 -0.001 0.000 2.598 373 I HA 0.307 4.492 4.170 0.024 0.000 0.284 373 I C 0.473 176.593 176.117 0.004 0.000 1.140 373 I CA 0.241 61.545 61.300 0.006 0.000 1.420 373 I CB 0.283 38.292 38.000 0.016 0.000 1.387 373 I HN 0.698 nan 8.210 nan 0.000 0.553 374 C N 4.845 124.148 119.300 0.004 0.000 3.253 374 C HA 0.305 4.779 4.460 0.024 0.000 0.342 374 C C -0.073 174.920 174.990 0.004 0.000 1.306 374 C CA -0.654 58.366 59.018 0.004 0.000 1.207 374 C CB 1.503 29.243 27.740 0.001 0.000 1.479 374 C HN 0.910 nan 8.230 nan 0.000 0.469 375 N N 0.413 119.116 118.700 0.005 0.000 2.159 375 N HA 0.399 5.153 4.740 0.024 0.000 0.217 375 N C -1.069 174.442 175.510 0.003 0.000 1.223 375 N CA 0.253 53.306 53.050 0.005 0.000 0.896 375 N CB 0.929 39.421 38.487 0.009 0.000 1.064 375 N HN 0.544 nan 8.380 nan 0.000 0.518 376 V N 2.463 122.377 119.914 0.001 0.000 2.444 376 V HA 0.487 4.621 4.120 0.024 0.000 0.294 376 V C -2.363 173.730 176.094 -0.001 0.000 1.022 376 V CA -1.985 60.315 62.300 -0.001 0.000 0.850 376 V CB 2.045 33.867 31.823 -0.003 0.000 0.992 376 V HN 0.058 nan 8.190 nan 0.000 0.426 377 P HA 0.266 nan 4.420 nan 0.000 0.273 377 P C 0.244 177.544 177.300 -0.000 0.000 1.319 377 P CA 0.699 63.799 63.100 0.000 0.000 0.885 377 P CB 0.500 32.201 31.700 0.001 0.000 1.015 378 G N 2.548 111.347 108.800 -0.001 0.000 2.788 378 G HA2 0.074 4.048 3.960 0.024 0.000 0.249 378 G HA3 0.074 4.048 3.960 0.024 0.000 0.249 378 G C -0.393 174.506 174.900 -0.002 0.000 1.008 378 G CA -0.168 44.931 45.100 -0.001 0.000 1.220 378 G HN 0.792 nan 8.290 nan 0.000 0.506 379 S N 0.070 115.769 115.700 -0.002 0.000 2.552 379 S HA 0.798 5.283 4.470 0.024 0.000 0.272 379 S C 1.236 175.833 174.600 -0.004 0.000 1.150 379 S CA 0.289 58.488 58.200 -0.003 0.000 0.849 379 S CB 1.328 64.526 63.200 -0.003 0.000 1.113 379 S HN 1.805 nan 8.310 nan 0.000 0.458 380 S N 1.445 117.143 115.700 -0.004 0.000 2.456 380 S HA -0.338 4.146 4.470 0.024 0.000 0.359 380 S C 1.582 176.178 174.600 -0.007 0.000 1.227 380 S CA 2.271 60.468 58.200 -0.005 0.000 1.598 380 S CB -1.389 61.808 63.200 -0.005 0.000 1.444 380 S HN 0.714 nan 8.310 nan 0.000 0.483 381 L N 0.951 122.169 121.223 -0.009 0.000 2.191 381 L HA -0.105 4.249 4.340 0.024 0.000 0.212 381 L C 2.411 179.273 176.870 -0.012 0.000 1.103 381 L CA 0.964 55.796 54.840 -0.013 0.000 0.769 381 L CB -0.432 41.618 42.059 -0.014 0.000 0.908 381 L HN 0.263 nan 8.230 nan 0.000 0.438 382 V N -0.638 119.271 119.914 -0.008 0.000 2.232 382 V HA -0.229 3.906 4.120 0.024 0.000 0.239 382 V C 2.465 178.555 176.094 -0.006 0.000 1.040 382 V CA 1.487 63.784 62.300 -0.006 0.000 0.996 382 V CB -0.589 31.232 31.823 -0.004 0.000 0.638 382 V HN 0.368 nan 8.190 nan 0.000 0.453 383 R N 0.542 121.039 120.500 -0.004 0.000 2.159 383 R HA -0.242 4.113 4.340 0.024 0.000 0.252 383 R C 1.865 178.163 176.300 -0.003 0.000 1.144 383 R CA 2.146 58.244 56.100 -0.003 0.000 0.961 383 R CB -0.515 29.784 30.300 -0.002 0.000 0.877 383 R HN 0.674 nan 8.270 nan 0.000 0.444 384 E N 0.337 120.534 120.200 -0.005 0.000 2.476 384 E HA 0.096 4.460 4.350 0.024 0.000 0.191 384 E C 0.007 176.603 176.600 -0.008 0.000 1.064 384 E CA -0.035 56.362 56.400 -0.005 0.000 0.866 384 E CB 0.552 30.249 29.700 -0.006 0.000 0.952 384 E HN 0.110 nan 8.360 nan 0.000 0.492 385 S N 0.921 116.615 115.700 -0.009 0.000 2.681 385 S HA 0.121 4.606 4.470 0.024 0.000 0.299 385 S C 0.580 175.177 174.600 -0.005 0.000 1.113 385 S CA -0.817 57.375 58.200 -0.012 0.000 1.013 385 S CB 1.535 64.724 63.200 -0.018 0.000 1.076 385 S HN 0.076 nan 8.310 nan 0.000 0.534 386 D N 0.551 120.950 120.400 -0.003 0.000 2.123 386 D HA 0.070 4.724 4.640 0.024 0.000 0.200 386 D C 0.221 176.521 176.300 0.000 0.000 0.976 386 D CA 1.189 55.190 54.000 0.002 0.000 0.831 386 D CB 0.077 40.881 40.800 0.007 0.000 0.974 386 D HN 0.292 nan 8.370 nan 0.000 0.469 387 L N -0.136 121.086 121.223 -0.002 0.000 2.381 387 L HA 0.685 5.039 4.340 0.024 0.000 0.268 387 L C -0.633 176.235 176.870 -0.003 0.000 0.997 387 L CA -0.986 53.853 54.840 -0.001 0.000 0.818 387 L CB 2.424 44.484 42.059 0.001 0.000 1.310 387 L HN -0.185 nan 8.230 nan 0.000 0.416 388 A N 2.436 125.256 122.820 -0.001 0.000 2.454 388 A HA 0.873 5.208 4.320 0.024 0.000 0.302 388 A C -0.705 176.880 177.584 0.002 0.000 1.079 388 A CA -0.366 51.671 52.037 -0.001 0.000 0.731 388 A CB 1.764 20.763 19.000 -0.002 0.000 1.299 388 A HN 0.746 nan 8.150 nan 0.000 0.413 389 L N 2.211 123.436 121.223 0.003 0.000 3.193 389 L HA 0.188 4.542 4.340 0.024 0.000 0.305 389 L C -0.279 176.592 176.870 0.002 0.000 1.299 389 L CA -0.397 54.445 54.840 0.004 0.000 0.904 389 L CB 0.371 42.434 42.059 0.007 0.000 1.331 389 L HN 0.722 nan 8.230 nan 0.000 0.588 390 M N 0.587 120.188 119.600 0.002 0.000 2.337 390 M HA -0.186 4.309 4.480 0.024 0.000 0.555 390 M C 1.487 177.788 176.300 0.001 0.000 1.363 390 M CA 0.918 56.219 55.300 0.002 0.000 0.782 390 M CB -1.209 31.392 32.600 0.002 0.000 1.806 390 M HN 0.399 nan 8.290 nan 0.000 0.536 391 T N -0.665 113.890 114.554 0.001 0.000 2.977 391 T HA -0.094 4.270 4.350 0.024 0.000 0.271 391 T C 0.833 175.534 174.700 0.001 0.000 1.105 391 T CA 0.494 62.593 62.100 -0.001 0.000 1.116 391 T CB -0.236 68.631 68.868 -0.002 0.000 0.878 391 T HN 0.686 nan 8.240 nan 0.000 0.509 392 N N 1.082 119.784 118.700 0.003 0.000 2.641 392 N HA -0.136 4.618 4.740 0.024 0.000 0.267 392 N C 0.249 175.763 175.510 0.007 0.000 1.087 392 N CA 0.708 53.761 53.050 0.005 0.000 0.731 392 N CB -1.228 37.262 38.487 0.004 0.000 0.886 392 N HN 0.751 nan 8.380 nan 0.000 0.547 393 A N -0.002 122.823 122.820 0.008 0.000 2.538 393 A HA 0.621 4.956 4.320 0.024 0.000 0.269 393 A C 1.251 178.843 177.584 0.014 0.000 1.231 393 A CA 0.862 52.905 52.037 0.011 0.000 0.948 393 A CB 0.048 19.054 19.000 0.010 0.000 1.110 393 A HN 1.407 nan 8.150 nan 0.000 0.529 394 G N 0.023 108.832 108.800 0.014 0.000 2.860 394 G HA2 0.021 3.995 3.960 0.024 0.000 0.553 394 G HA3 0.021 3.995 3.960 0.024 0.000 0.553 394 G C 0.121 175.028 174.900 0.012 0.000 1.439 394 G CA -0.256 44.854 45.100 0.017 0.000 0.879 394 G HN 1.557 nan 8.290 nan 0.000 0.545 395 T N -1.792 112.768 114.554 0.010 0.000 2.926 395 T HA 0.488 4.852 4.350 0.024 0.000 0.307 395 T C 0.271 174.969 174.700 -0.002 0.000 1.059 395 T CA 0.560 62.659 62.100 -0.002 0.000 1.122 395 T CB 1.877 70.737 68.868 -0.013 0.000 0.972 395 T HN 0.799 nan 8.240 nan 0.000 0.545 396 E N 1.918 122.109 120.200 -0.015 0.000 2.114 396 E HA 0.301 4.666 4.350 0.024 0.000 0.266 396 E C 0.357 176.925 176.600 -0.053 0.000 0.896 396 E CA -0.719 55.671 56.400 -0.016 0.000 0.750 396 E CB 0.667 30.363 29.700 -0.007 0.000 1.121 396 E HN 0.631 nan 8.360 nan 0.000 0.413 397 I N 2.937 123.450 120.570 -0.095 0.000 3.265 397 I HA 0.092 4.277 4.170 0.024 0.000 0.282 397 I C 1.289 177.311 176.117 -0.158 0.000 1.207 397 I CA 0.483 61.641 61.300 -0.237 0.000 1.449 397 I CB -0.170 37.442 38.000 -0.647 0.000 1.121 397 I HN 0.523 nan 8.210 nan 0.000 0.442 398 G N 0.616 109.394 108.800 -0.037 0.000 2.554 398 G HA2 0.235 4.209 3.960 0.024 0.000 0.238 398 G HA3 0.235 4.209 3.960 0.024 0.000 0.238 398 G C 0.957 175.850 174.900 -0.013 0.000 1.259 398 G CA -0.336 44.774 45.100 0.016 0.000 0.843 398 G HN -0.002 nan 8.290 nan 0.000 0.582 399 V N 1.683 121.595 119.914 -0.003 0.000 2.649 399 V HA 0.143 4.277 4.120 0.024 0.000 0.248 399 V C 1.895 177.981 176.094 -0.013 0.000 1.054 399 V CA 1.728 64.023 62.300 -0.008 0.000 1.073 399 V CB -0.714 31.110 31.823 0.003 0.000 0.699 399 V HN 0.884 nan 8.190 nan 0.000 0.463 400 A N -0.412 122.397 122.820 -0.018 0.000 2.282 400 A HA 0.663 4.997 4.320 0.024 0.000 0.319 400 A C 0.160 177.720 177.584 -0.039 0.000 1.121 400 A CA -0.200 51.816 52.037 -0.035 0.000 0.836 400 A CB 0.806 19.776 19.000 -0.051 0.000 1.146 400 A HN 0.272 nan 8.150 nan 0.000 0.494 401 S N -0.359 115.314 115.700 -0.046 0.000 2.525 401 S HA 0.602 5.086 4.470 0.024 0.000 0.290 401 S C 0.783 175.363 174.600 -0.035 0.000 1.152 401 S CA -0.001 58.186 58.200 -0.022 0.000 1.072 401 S CB 1.579 64.792 63.200 0.022 0.000 1.027 401 S HN 0.902 nan 8.310 nan 0.000 0.500 402 T N 1.303 115.853 114.554 -0.006 0.000 3.426 402 T HA 0.132 4.497 4.350 0.024 0.000 0.195 402 T C 1.707 176.445 174.700 0.063 0.000 0.963 402 T CA -0.348 61.747 62.100 -0.009 0.000 1.154 402 T CB -0.526 68.297 68.868 -0.074 0.000 1.377 402 T HN 0.564 nan 8.240 nan 0.000 0.342 403 K N 2.447 122.859 120.400 0.020 0.000 2.026 403 K HA 0.086 4.420 4.320 0.024 0.000 0.208 403 K C 2.549 179.177 176.600 0.047 0.000 1.048 403 K CA 1.446 57.748 56.287 0.025 0.000 0.929 403 K CB -0.945 31.555 32.500 0.000 0.000 0.713 403 K HN 0.318 nan 8.250 nan 0.000 0.439 404 A N 1.399 124.249 122.820 0.049 0.000 1.969 404 A HA -0.254 4.080 4.320 0.024 0.000 0.223 404 A C 2.056 179.704 177.584 0.107 0.000 1.218 404 A CA 2.085 54.161 52.037 0.064 0.000 0.667 404 A CB -1.013 18.024 19.000 0.061 0.000 0.826 404 A HN 0.592 nan 8.150 nan 0.000 0.472 405 F N 1.466 121.404 119.950 -0.020 0.000 2.128 405 F HA -0.114 4.428 4.527 0.026 0.000 0.295 405 F C 2.725 178.525 175.800 -0.001 0.000 1.100 405 F CA 2.375 60.365 58.000 -0.017 0.000 1.260 405 F CB -0.760 38.220 39.000 -0.034 0.000 1.009 405 F HN 0.321 nan 8.300 nan 0.000 0.476 406 T N -1.804 112.760 114.554 0.016 0.000 2.737 406 T HA -0.201 4.164 4.350 0.024 0.000 0.265 406 T C 2.061 176.708 174.700 -0.088 0.000 1.038 406 T CA 1.916 63.971 62.100 -0.076 0.000 1.144 406 T CB -1.561 67.326 68.868 0.031 0.000 0.866 406 T HN 0.473 nan 8.240 nan 0.000 0.434 407 T N 1.037 115.568 114.554 -0.038 0.000 2.720 407 T HA -0.204 4.160 4.350 0.024 0.000 0.268 407 T C 2.097 176.767 174.700 -0.052 0.000 1.037 407 T CA 1.336 63.417 62.100 -0.033 0.000 1.144 407 T CB -0.751 68.112 68.868 -0.010 0.000 0.864 407 T HN 0.441 nan 8.240 nan 0.000 0.444 408 Q N 0.595 120.352 119.800 -0.071 0.000 2.181 408 Q HA 0.065 4.419 4.340 0.024 0.000 0.205 408 Q C 2.385 178.329 176.000 -0.094 0.000 0.980 408 Q CA 1.269 57.028 55.803 -0.073 0.000 0.862 408 Q CB -0.427 28.266 28.738 -0.074 0.000 0.905 408 Q HN 0.557 nan 8.270 nan 0.000 0.429 409 L N -0.410 120.716 121.223 -0.162 0.000 2.179 409 L HA -0.109 4.245 4.340 0.024 0.000 0.208 409 L C 2.276 179.161 176.870 0.025 0.000 1.096 409 L CA 0.951 55.757 54.840 -0.057 0.000 0.779 409 L CB -0.478 41.496 42.059 -0.141 0.000 0.922 409 L HN 0.246 nan 8.230 nan 0.000 0.443 410 T N -0.334 114.195 114.554 -0.042 0.000 2.622 410 T HA -0.179 4.186 4.350 0.024 0.000 0.266 410 T C 2.004 176.656 174.700 -0.079 0.000 1.047 410 T CA 1.526 63.583 62.100 -0.071 0.000 1.159 410 T CB -0.498 68.339 68.868 -0.052 0.000 0.863 410 T HN 0.053 nan 8.240 nan 0.000 0.422 411 V N 1.693 121.579 119.914 -0.047 0.000 2.282 411 V HA -0.173 3.962 4.120 0.024 0.000 0.249 411 V C 2.569 178.649 176.094 -0.024 0.000 1.057 411 V CA 1.532 63.814 62.300 -0.030 0.000 1.032 411 V CB -0.914 30.903 31.823 -0.010 0.000 0.645 411 V HN 0.369 nan 8.190 nan 0.000 0.447 412 L N -1.126 120.095 121.223 -0.003 0.000 2.043 412 L HA -0.228 4.126 4.340 0.024 0.000 0.212 412 L C 2.425 179.216 176.870 -0.132 0.000 1.075 412 L CA 1.374 56.223 54.840 0.016 0.000 0.752 412 L CB -0.480 41.645 42.059 0.111 0.000 0.891 412 L HN 0.301 nan 8.230 nan 0.000 0.432 413 L N -0.964 120.130 121.223 -0.215 0.000 2.056 413 L HA -0.202 4.152 4.340 0.024 0.000 0.207 413 L C 2.441 179.131 176.870 -0.299 0.000 1.078 413 L CA 1.691 56.260 54.840 -0.452 0.000 0.749 413 L CB -0.519 41.161 42.059 -0.632 0.000 0.901 413 L HN 0.183 nan 8.230 nan 0.000 0.433 414 M N -1.643 117.849 119.600 -0.179 0.000 2.255 414 M HA -0.305 4.189 4.480 0.024 0.000 0.260 414 M C 2.280 178.537 176.300 -0.071 0.000 1.069 414 M CA 1.890 57.122 55.300 -0.112 0.000 1.089 414 M CB -1.240 31.320 32.600 -0.068 0.000 1.269 414 M HN 0.248 nan 8.290 nan 0.000 0.434 415 L N 0.842 122.055 121.223 -0.017 0.000 2.054 415 L HA -0.220 4.134 4.340 0.024 0.000 0.220 415 L C 2.434 179.373 176.870 0.115 0.000 1.081 415 L CA 1.750 56.636 54.840 0.077 0.000 0.780 415 L CB -0.696 41.469 42.059 0.176 0.000 0.893 415 L HN 0.124 nan 8.230 nan 0.000 0.438 416 V N -0.520 119.369 119.914 -0.041 0.000 2.380 416 V HA -0.356 3.779 4.120 0.024 0.000 0.251 416 V C 2.646 178.711 176.094 -0.048 0.000 1.063 416 V CA 1.814 64.049 62.300 -0.109 0.000 1.055 416 V CB -1.653 29.894 31.823 -0.461 0.000 0.657 416 V HN 0.635 nan 8.190 nan 0.000 0.455 417 A N 0.230 122.988 122.820 -0.104 0.000 1.840 417 A HA -0.190 4.144 4.320 0.024 0.000 0.214 417 A C 2.256 179.809 177.584 -0.053 0.000 1.198 417 A CA 1.997 53.971 52.037 -0.104 0.000 0.608 417 A CB -0.568 18.352 19.000 -0.133 0.000 0.839 417 A HN 0.457 nan 8.150 nan 0.000 0.443 418 K N -0.143 120.239 120.400 -0.029 0.000 2.034 418 K HA -0.153 4.182 4.320 0.024 0.000 0.214 418 K C 1.743 178.347 176.600 0.007 0.000 1.051 418 K CA 1.933 58.213 56.287 -0.011 0.000 0.931 418 K CB -0.686 31.815 32.500 0.002 0.000 0.715 418 K HN 0.372 nan 8.250 nan 0.000 0.446 419 L N 0.732 121.980 121.223 0.043 0.000 2.079 419 L HA -0.230 4.124 4.340 0.024 0.000 0.210 419 L C 2.462 179.352 176.870 0.033 0.000 1.081 419 L CA 1.792 56.663 54.840 0.051 0.000 0.752 419 L CB -0.666 41.452 42.059 0.098 0.000 0.896 419 L HN 0.384 nan 8.230 nan 0.000 0.433 420 S N -0.433 115.282 115.700 0.025 0.000 2.383 420 S HA -0.294 4.190 4.470 0.024 0.000 0.229 420 S C 2.122 176.712 174.600 -0.018 0.000 1.030 420 S CA 1.409 59.611 58.200 0.004 0.000 1.002 420 S CB -0.479 62.708 63.200 -0.022 0.000 0.829 420 S HN 0.449 nan 8.310 nan 0.000 0.467 421 R N 0.939 121.419 120.500 -0.033 0.000 2.066 421 R HA 0.239 4.594 4.340 0.024 0.000 0.224 421 R C 1.708 177.994 176.300 -0.023 0.000 1.122 421 R CA 0.678 56.753 56.100 -0.042 0.000 0.974 421 R CB -0.441 29.821 30.300 -0.063 0.000 0.871 421 R HN 0.438 nan 8.270 nan 0.000 0.435 422 L N 1.446 122.660 121.223 -0.015 0.000 2.962 422 L HA -0.063 4.291 4.340 0.024 0.000 0.263 422 L C 1.556 178.424 176.870 -0.003 0.000 1.152 422 L CA 0.984 55.820 54.840 -0.007 0.000 0.954 422 L CB -0.022 42.035 42.059 -0.003 0.000 1.213 422 L HN 0.203 nan 8.230 nan 0.000 0.422 423 K N -1.513 118.884 120.400 -0.004 0.000 2.601 423 K HA 0.174 4.508 4.320 0.024 0.000 0.214 423 K C 1.061 177.660 176.600 -0.002 0.000 1.628 423 K CA 0.617 56.904 56.287 0.000 0.000 1.036 423 K CB 1.323 33.827 32.500 0.007 0.000 1.352 423 K HN 0.181 nan 8.250 nan 0.000 0.607 424 G N 1.725 110.521 108.800 -0.007 0.000 2.179 424 G HA2 -0.197 3.778 3.960 0.024 0.000 0.220 424 G HA3 -0.197 3.778 3.960 0.024 0.000 0.220 424 G C -0.128 174.765 174.900 -0.011 0.000 0.990 424 G CA -0.162 44.933 45.100 -0.009 0.000 0.646 424 G HN 0.062 nan 8.290 nan 0.000 0.517 425 L N 1.710 122.925 121.223 -0.013 0.000 2.416 425 L HA 0.374 4.728 4.340 0.024 0.000 0.272 425 L C 0.895 177.749 176.870 -0.026 0.000 1.161 425 L CA -0.102 54.730 54.840 -0.013 0.000 0.845 425 L CB 0.637 42.691 42.059 -0.008 0.000 1.119 425 L HN 0.341 nan 8.230 nan 0.000 0.464 426 D N 2.611 123.000 120.400 -0.017 0.000 2.570 426 D HA -0.028 4.626 4.640 0.024 0.000 0.243 426 D C 0.993 177.269 176.300 -0.040 0.000 1.171 426 D CA 0.571 54.560 54.000 -0.019 0.000 0.879 426 D CB 1.084 41.881 40.800 -0.005 0.000 1.143 426 D HN 0.600 nan 8.370 nan 0.000 0.511 427 A N 3.430 126.213 122.820 -0.061 0.000 2.225 427 A HA -0.118 4.217 4.320 0.024 0.000 0.215 427 A C 2.235 179.723 177.584 -0.161 0.000 1.164 427 A CA 1.261 53.217 52.037 -0.135 0.000 0.710 427 A CB -0.791 18.110 19.000 -0.165 0.000 0.780 427 A HN 0.706 nan 8.150 nan 0.000 0.473 428 S N 0.503 116.174 115.700 -0.049 0.000 2.387 428 S HA -0.237 4.247 4.470 0.024 0.000 0.230 428 S C 1.767 176.355 174.600 -0.019 0.000 1.035 428 S CA 1.575 59.783 58.200 0.014 0.000 1.014 428 S CB -0.841 62.382 63.200 0.039 0.000 0.836 428 S HN 0.531 nan 8.310 nan 0.000 0.466 429 I N 1.976 122.513 120.570 -0.056 0.000 2.127 429 I HA -0.214 3.970 4.170 0.024 0.000 0.241 429 I C 3.031 179.073 176.117 -0.124 0.000 1.075 429 I CA 2.107 63.364 61.300 -0.072 0.000 1.334 429 I CB -0.456 37.508 38.000 -0.060 0.000 1.040 429 I HN 0.444 nan 8.210 nan 0.000 0.405 430 E N 0.165 120.258 120.200 -0.179 0.000 2.077 430 E HA -0.260 4.105 4.350 0.024 0.000 0.193 430 E C 2.224 178.695 176.600 -0.214 0.000 0.989 430 E CA 1.333 57.605 56.400 -0.214 0.000 0.800 430 E CB 0.013 29.558 29.700 -0.257 0.000 0.746 430 E HN 0.541 nan 8.360 nan 0.000 0.452 431 H N 0.932 119.862 119.070 -0.233 0.000 2.357 431 H HA -0.086 4.484 4.556 0.024 0.000 0.301 431 H C 1.804 176.678 175.328 -0.756 0.000 1.082 431 H CA 1.323 57.091 56.048 -0.465 0.000 1.342 431 H CB -0.300 29.290 29.762 -0.288 0.000 1.389 431 H HN 0.253 nan 8.280 nan 0.000 0.511 432 D N 0.776 121.060 120.400 -0.194 0.000 2.103 432 D HA -0.152 4.502 4.640 0.024 0.000 0.190 432 D C 2.473 178.686 176.300 -0.145 0.000 0.997 432 D CA 1.001 54.962 54.000 -0.065 0.000 0.833 432 D CB -0.456 40.336 40.800 -0.013 0.000 0.961 432 D HN 0.300 nan 8.370 nan 0.000 0.447 433 I N 0.746 121.201 120.570 -0.192 0.000 2.145 433 I HA -0.302 3.882 4.170 0.024 0.000 0.244 433 I C 2.502 178.492 176.117 -0.212 0.000 1.075 433 I CA 0.947 62.105 61.300 -0.236 0.000 1.332 433 I CB -0.524 37.316 38.000 -0.268 0.000 1.033 433 I HN -0.071 nan 8.210 nan 0.000 0.410 434 V N 0.603 120.376 119.914 -0.235 0.000 2.223 434 V HA -0.296 3.838 4.120 0.024 0.000 0.244 434 V C 2.462 178.473 176.094 -0.138 0.000 1.045 434 V CA 2.073 64.257 62.300 -0.193 0.000 1.000 434 V CB -1.153 30.566 31.823 -0.173 0.000 0.635 434 V HN 0.365 nan 8.190 nan 0.000 0.445 435 H N 0.985 120.029 119.070 -0.043 0.000 2.260 435 H HA -0.237 4.333 4.556 0.024 0.000 0.288 435 H C 2.489 177.775 175.328 -0.069 0.000 1.094 435 H CA 2.112 58.125 56.048 -0.058 0.000 1.197 435 H CB -1.404 28.327 29.762 -0.052 0.000 1.346 435 H HN 0.467 nan 8.280 nan 0.000 0.486 436 G N 0.908 109.741 108.800 0.054 0.000 2.556 436 G HA2 -0.270 3.704 3.960 0.024 0.000 0.220 436 G HA3 -0.270 3.704 3.960 0.024 0.000 0.220 436 G C 2.075 176.940 174.900 -0.058 0.000 1.156 436 G CA 1.309 46.390 45.100 -0.032 0.000 0.766 436 G HN 0.347 nan 8.290 nan 0.000 0.583 437 L N 0.168 121.344 121.223 -0.079 0.000 2.083 437 L HA -0.125 4.230 4.340 0.024 0.000 0.209 437 L C 3.161 180.005 176.870 -0.043 0.000 1.083 437 L CA 1.584 56.377 54.840 -0.079 0.000 0.752 437 L CB -0.236 41.761 42.059 -0.103 0.000 0.899 437 L HN 0.399 nan 8.230 nan 0.000 0.433 438 Q N -0.981 118.805 119.800 -0.022 0.000 2.354 438 Q HA 0.066 4.420 4.340 0.024 0.000 0.203 438 Q C 2.313 178.306 176.000 -0.011 0.000 0.933 438 Q CA 0.742 56.538 55.803 -0.011 0.000 0.901 438 Q CB -0.132 28.606 28.738 0.001 0.000 1.007 438 Q HN 0.455 nan 8.270 nan 0.000 0.495 439 A N 1.835 124.646 122.820 -0.015 0.000 1.883 439 A HA -0.196 4.138 4.320 0.024 0.000 0.217 439 A C 2.105 179.668 177.584 -0.033 0.000 1.186 439 A CA 1.210 53.228 52.037 -0.031 0.000 0.624 439 A CB -0.752 18.218 19.000 -0.049 0.000 0.822 439 A HN 0.381 nan 8.150 nan 0.000 0.444 440 L N 0.258 121.461 121.223 -0.033 0.000 1.978 440 L HA -0.162 4.192 4.340 0.024 0.000 0.218 440 L C -0.595 176.282 176.870 0.012 0.000 1.075 440 L CA 2.689 57.517 54.840 -0.019 0.000 0.767 440 L CB -1.012 41.038 42.059 -0.014 0.000 0.890 440 L HN 0.201 nan 8.230 nan 0.000 0.434 441 P HA -0.222 nan 4.420 nan 0.000 0.216 441 P C 1.801 179.123 177.300 0.036 0.000 1.154 441 P CA 2.304 65.419 63.100 0.025 0.000 0.865 441 P CB -0.238 31.473 31.700 0.017 0.000 0.789 442 S N -1.655 114.060 115.700 0.026 0.000 2.496 442 S HA 0.017 4.502 4.470 0.024 0.000 0.224 442 S C 1.922 176.549 174.600 0.045 0.000 0.996 442 S CA 0.141 58.362 58.200 0.034 0.000 0.927 442 S CB -0.590 62.623 63.200 0.021 0.000 0.774 442 S HN -0.006 nan 8.310 nan 0.000 0.524 443 R N 0.389 120.907 120.500 0.030 0.000 2.092 443 R HA 0.119 4.473 4.340 0.024 0.000 0.231 443 R C 1.978 178.411 176.300 0.222 0.000 1.119 443 R CA 1.167 57.296 56.100 0.049 0.000 0.970 443 R CB -0.758 29.470 30.300 -0.122 0.000 0.864 443 R HN 0.428 nan 8.270 nan 0.000 0.440 444 I N 1.524 122.197 120.570 0.172 0.000 2.208 444 I HA -0.235 3.949 4.170 0.024 0.000 0.245 444 I C 1.941 178.118 176.117 0.100 0.000 1.097 444 I CA 1.525 62.910 61.300 0.142 0.000 1.363 444 I CB -0.155 37.894 38.000 0.081 0.000 1.051 444 I HN 0.121 nan 8.210 nan 0.000 0.413 445 E N -0.524 119.732 120.200 0.092 0.000 2.338 445 E HA -0.217 4.147 4.350 0.024 0.000 0.197 445 E C 2.118 178.778 176.600 0.099 0.000 1.007 445 E CA 0.547 57.003 56.400 0.093 0.000 0.849 445 E CB -0.003 29.747 29.700 0.084 0.000 0.774 445 E HN 0.528 nan 8.360 nan 0.000 0.506 446 Q N -0.238 119.631 119.800 0.116 0.000 2.020 446 Q HA -0.175 4.179 4.340 0.024 0.000 0.198 446 Q C 2.126 178.194 176.000 0.114 0.000 0.974 446 Q CA 1.294 57.172 55.803 0.124 0.000 0.829 446 Q CB -0.060 28.769 28.738 0.151 0.000 0.894 446 Q HN 0.233 nan 8.270 nan 0.000 0.433 447 M N 0.867 120.534 119.600 0.111 0.000 2.115 447 M HA -0.206 4.288 4.480 0.024 0.000 0.258 447 M C 1.792 178.090 176.300 -0.003 0.000 1.071 447 M CA 1.695 56.979 55.300 -0.027 0.000 1.100 447 M CB -0.556 31.924 32.600 -0.201 0.000 1.292 447 M HN 0.211 nan 8.290 nan 0.000 0.415 448 L N -0.073 121.157 121.223 0.011 0.000 2.386 448 L HA -0.287 4.067 4.340 0.024 0.000 0.220 448 L C 2.239 179.200 176.870 0.151 0.000 1.115 448 L CA 1.542 56.422 54.840 0.067 0.000 0.780 448 L CB -1.120 41.007 42.059 0.115 0.000 0.902 448 L HN 0.615 nan 8.230 nan 0.000 0.442 449 S N -2.102 113.665 115.700 0.111 0.000 2.468 449 S HA -0.042 4.442 4.470 0.024 0.000 0.226 449 S C 1.592 176.243 174.600 0.085 0.000 1.051 449 S CA -0.305 57.959 58.200 0.107 0.000 0.943 449 S CB -0.136 63.116 63.200 0.087 0.000 0.810 449 S HN 0.423 nan 8.310 nan 0.000 0.509 450 Q N 1.494 121.336 119.800 0.070 0.000 2.547 450 Q HA -0.064 4.290 4.340 0.024 0.000 0.217 450 Q C 1.023 177.058 176.000 0.058 0.000 0.978 450 Q CA 0.916 56.753 55.803 0.056 0.000 0.962 450 Q CB -0.453 28.314 28.738 0.048 0.000 0.990 450 Q HN 0.734 nan 8.270 nan 0.000 0.538 451 D N 1.711 122.162 120.400 0.084 0.000 2.103 451 D HA -0.213 4.441 4.640 0.024 0.000 0.190 451 D C 1.512 177.849 176.300 0.062 0.000 0.997 451 D CA 1.450 55.519 54.000 0.115 0.000 0.833 451 D CB 0.298 41.226 40.800 0.214 0.000 0.961 451 D HN -0.073 nan 8.370 nan 0.000 0.447 452 K N 0.222 120.649 120.400 0.044 0.000 2.160 452 K HA -0.154 4.181 4.320 0.024 0.000 0.206 452 K C 2.363 178.945 176.600 -0.030 0.000 1.047 452 K CA 0.839 57.118 56.287 -0.013 0.000 0.930 452 K CB -0.495 32.009 32.500 0.006 0.000 0.720 452 K HN 0.240 nan 8.250 nan 0.000 0.450 453 R N 0.349 120.853 120.500 0.008 0.000 2.148 453 R HA -0.012 4.342 4.340 0.024 0.000 0.227 453 R C 2.038 178.346 176.300 0.014 0.000 1.103 453 R CA 0.645 56.755 56.100 0.015 0.000 0.983 453 R CB 0.016 30.338 30.300 0.037 0.000 0.874 453 R HN 0.050 nan 8.270 nan 0.000 0.451 454 I N 0.418 120.997 120.570 0.014 0.000 2.333 454 I HA -0.150 4.034 4.170 0.024 0.000 0.246 454 I C 2.096 178.180 176.117 -0.056 0.000 1.106 454 I CA 1.163 62.482 61.300 0.032 0.000 1.411 454 I CB -1.172 36.883 38.000 0.091 0.000 1.082 454 I HN 0.262 nan 8.210 nan 0.000 0.420 455 E N 1.076 121.125 120.200 -0.251 0.000 2.097 455 E HA -0.264 4.101 4.350 0.024 0.000 0.196 455 E C 2.282 178.790 176.600 -0.153 0.000 1.000 455 E CA 1.636 57.769 56.400 -0.446 0.000 0.804 455 E CB 0.114 29.440 29.700 -0.623 0.000 0.740 455 E HN 0.457 nan 8.360 nan 0.000 0.454 456 A N 0.969 123.739 122.820 -0.084 0.000 1.865 456 A HA -0.209 4.125 4.320 0.024 0.000 0.217 456 A C 2.137 179.730 177.584 0.015 0.000 1.191 456 A CA 1.573 53.595 52.037 -0.025 0.000 0.623 456 A CB -0.760 18.235 19.000 -0.008 0.000 0.826 456 A HN 0.368 nan 8.150 nan 0.000 0.444 457 L N -0.323 120.921 121.223 0.036 0.000 2.201 457 L HA 0.019 4.373 4.340 0.024 0.000 0.212 457 L C 2.509 179.462 176.870 0.139 0.000 1.105 457 L CA 1.974 56.871 54.840 0.096 0.000 0.775 457 L CB -0.758 41.352 42.059 0.084 0.000 0.913 457 L HN 0.343 nan 8.230 nan 0.000 0.440 458 A N -0.563 122.299 122.820 0.069 0.000 1.933 458 A HA -0.227 4.107 4.320 0.024 0.000 0.218 458 A C 2.107 179.776 177.584 0.142 0.000 1.175 458 A CA 1.729 53.817 52.037 0.084 0.000 0.628 458 A CB -0.572 18.466 19.000 0.064 0.000 0.814 458 A HN 0.626 nan 8.150 nan 0.000 0.444 459 E N -0.008 120.241 120.200 0.082 0.000 2.049 459 E HA -0.256 4.108 4.350 0.024 0.000 0.198 459 E C 1.560 178.190 176.600 0.051 0.000 1.007 459 E CA 1.374 57.804 56.400 0.050 0.000 0.809 459 E CB -0.356 29.356 29.700 0.020 0.000 0.749 459 E HN 0.541 nan 8.360 nan 0.000 0.450 460 D N -0.274 120.161 120.400 0.057 0.000 2.191 460 D HA -0.191 4.463 4.640 0.024 0.000 0.195 460 D C 1.292 177.469 176.300 -0.205 0.000 1.003 460 D CA 1.244 55.196 54.000 -0.079 0.000 0.867 460 D CB -0.171 40.539 40.800 -0.149 0.000 0.926 460 D HN 0.196 nan 8.370 nan 0.000 0.450 461 F N -0.489 119.380 119.950 -0.134 0.000 2.721 461 F HA 0.147 4.690 4.527 0.026 0.000 0.301 461 F C 2.266 178.003 175.800 -0.106 0.000 1.096 461 F CA 0.062 57.984 58.000 -0.129 0.000 1.308 461 F CB -0.346 38.577 39.000 -0.129 0.000 1.086 461 F HN -0.123 nan 8.300 nan 0.000 0.587 462 S N 0.164 115.916 115.700 0.086 0.000 2.419 462 S HA -0.184 4.300 4.470 0.024 0.000 0.233 462 S C 1.183 175.751 174.600 -0.054 0.000 1.016 462 S CA 1.580 59.789 58.200 0.015 0.000 0.974 462 S CB -0.531 62.674 63.200 0.009 0.000 0.786 462 S HN 0.454 nan 8.310 nan 0.000 0.492 463 D N -0.157 120.190 120.400 -0.088 0.000 2.501 463 D HA 0.247 4.901 4.640 0.024 0.000 0.226 463 D C 0.020 176.136 176.300 -0.307 0.000 1.198 463 D CA -0.430 53.474 54.000 -0.160 0.000 0.830 463 D CB -0.003 40.748 40.800 -0.082 0.000 1.014 463 D HN 0.126 nan 8.370 nan 0.000 0.496 464 K N 0.066 120.299 120.400 -0.279 0.000 2.087 464 K HA 0.322 4.657 4.320 0.024 0.000 0.255 464 K C -0.064 176.266 176.600 -0.451 0.000 0.988 464 K CA -0.504 55.621 56.287 -0.271 0.000 0.915 464 K CB 0.963 33.396 32.500 -0.111 0.000 1.043 464 K HN 0.205 nan 8.250 nan 0.000 0.457 465 H N -0.758 118.339 119.070 0.045 0.000 2.916 465 H HA 0.235 4.801 4.556 0.016 0.000 0.262 465 H C -0.478 174.690 175.328 -0.266 0.000 1.178 465 H CA -0.191 55.815 56.048 -0.069 0.000 1.090 465 H CB 0.521 30.213 29.762 -0.116 0.000 1.657 465 H HN 0.355 nan 8.280 nan 0.000 0.601 466 H N 0.199 119.353 119.070 0.141 0.000 2.895 466 H HA 0.776 5.340 4.556 0.015 0.000 0.373 466 H C -0.887 174.483 175.328 0.070 0.000 1.174 466 H CA -0.726 55.362 56.048 0.067 0.000 1.144 466 H CB 2.414 32.191 29.762 0.025 0.000 1.793 466 H HN 0.255 nan 8.280 nan 0.000 0.551 467 A N 1.699 124.637 122.820 0.198 0.000 2.605 467 A HA 0.469 4.803 4.320 0.024 0.000 0.294 467 A C -2.076 175.635 177.584 0.211 0.000 1.062 467 A CA -0.536 51.630 52.037 0.216 0.000 0.682 467 A CB 1.949 21.155 19.000 0.343 0.000 1.278 467 A HN 0.355 nan 8.150 nan 0.000 0.410 468 L N 1.391 122.720 121.223 0.177 0.000 2.372 468 L HA 0.799 5.154 4.340 0.024 0.000 0.273 468 L C -1.790 175.213 176.870 0.222 0.000 0.989 468 L CA -0.368 54.582 54.840 0.183 0.000 0.841 468 L CB 0.647 42.739 42.059 0.056 0.000 1.225 468 L HN 0.530 nan 8.230 nan 0.000 0.414 469 F N 5.382 125.409 119.950 0.129 0.000 2.404 469 F HA 0.585 5.125 4.527 0.022 0.000 0.345 469 F C -0.028 175.881 175.800 0.180 0.000 1.110 469 F CA -0.276 57.810 58.000 0.143 0.000 1.130 469 F CB 1.162 40.221 39.000 0.099 0.000 1.129 469 F HN 0.250 nan 8.300 nan 0.000 0.500 470 L N 2.142 123.548 121.223 0.305 0.000 2.370 470 L HA 0.920 5.275 4.340 0.024 0.000 0.266 470 L C -0.082 176.932 176.870 0.239 0.000 1.002 470 L CA -0.854 54.150 54.840 0.274 0.000 0.818 470 L CB 2.354 44.526 42.059 0.189 0.000 1.325 470 L HN 0.729 nan 8.230 nan 0.000 0.418 471 G N 1.312 110.258 108.800 0.245 0.000 2.755 471 G HA2 0.477 4.451 3.960 0.024 0.000 0.297 471 G HA3 0.477 4.451 3.960 0.024 0.000 0.297 471 G C -2.125 172.871 174.900 0.159 0.000 1.441 471 G CA -0.593 44.619 45.100 0.187 0.000 0.964 471 G HN 0.510 nan 8.290 nan 0.000 0.540 472 R N 1.262 121.796 120.500 0.057 0.000 2.711 472 R HA 0.672 5.027 4.340 0.024 0.000 0.284 472 R C 1.052 177.296 176.300 -0.094 0.000 0.968 472 R CA 0.589 56.692 56.100 0.005 0.000 0.924 472 R CB 1.378 31.681 30.300 0.005 0.000 1.162 472 R HN 1.729 nan 8.270 nan 0.000 0.465 473 G N 3.090 111.810 108.800 -0.133 0.000 2.578 473 G HA2 -0.453 3.522 3.960 0.024 0.000 0.313 473 G HA3 -0.453 3.522 3.960 0.024 0.000 0.313 473 G C 0.381 174.641 174.900 -1.065 0.000 1.324 473 G CA 0.864 45.673 45.100 -0.484 0.000 0.955 473 G HN 0.933 nan 8.290 nan 0.000 0.541 474 D N -0.591 119.095 120.400 -1.190 0.000 2.322 474 D HA -0.114 4.540 4.640 0.024 0.000 0.210 474 D C 1.937 177.959 176.300 -0.462 0.000 0.983 474 D CA 2.075 55.500 54.000 -0.957 0.000 0.902 474 D CB -0.172 40.287 40.800 -0.568 0.000 0.905 474 D HN 0.431 nan 8.370 nan 0.000 0.483 475 Q N -1.033 118.593 119.800 -0.289 0.000 2.331 475 Q HA -0.058 4.297 4.340 0.024 0.000 0.203 475 Q C 1.689 177.663 176.000 -0.043 0.000 0.944 475 Q CA 0.349 56.074 55.803 -0.130 0.000 0.892 475 Q CB -0.556 28.123 28.738 -0.099 0.000 0.983 475 Q HN 0.549 nan 8.270 nan 0.000 0.482 476 Y N 2.626 122.833 120.300 -0.156 0.000 2.069 476 Y HA -0.172 4.391 4.550 0.023 0.000 0.278 476 Y C -0.935 174.961 175.900 -0.007 0.000 1.175 476 Y CA 1.698 59.771 58.100 -0.045 0.000 1.134 476 Y CB -1.329 37.121 38.460 -0.018 0.000 0.965 476 Y HN 0.095 nan 8.280 nan 0.000 0.498 477 P HA -0.123 nan 4.420 nan 0.000 0.234 477 P C 1.365 178.550 177.300 -0.192 0.000 1.167 477 P CA 1.204 64.075 63.100 -0.381 0.000 0.763 477 P CB -0.026 31.563 31.700 -0.185 0.000 0.835 478 I N -0.939 119.562 120.570 -0.114 0.000 2.703 478 I HA -0.009 4.175 4.170 0.024 0.000 0.259 478 I C 2.155 178.236 176.117 -0.060 0.000 1.151 478 I CA 0.729 62.004 61.300 -0.041 0.000 1.470 478 I CB -1.747 36.266 38.000 0.020 0.000 1.112 478 I HN -0.078 nan 8.210 nan 0.000 0.437 479 A N 1.599 124.413 122.820 -0.009 0.000 1.908 479 A HA -0.171 4.164 4.320 0.024 0.000 0.218 479 A C 2.397 179.900 177.584 -0.134 0.000 1.181 479 A CA 1.385 53.475 52.037 0.089 0.000 0.627 479 A CB -0.843 18.287 19.000 0.215 0.000 0.818 479 A HN 0.367 nan 8.150 nan 0.000 0.445 480 L N -0.944 120.128 121.223 -0.252 0.000 1.989 480 L HA -0.233 4.121 4.340 0.024 0.000 0.211 480 L C 2.738 179.436 176.870 -0.288 0.000 1.071 480 L CA 1.963 56.641 54.840 -0.270 0.000 0.749 480 L CB -0.556 41.314 42.059 -0.315 0.000 0.890 480 L HN 0.502 nan 8.230 nan 0.000 0.431 481 E N 0.536 120.551 120.200 -0.308 0.000 2.106 481 E HA -0.128 4.236 4.350 0.024 0.000 0.192 481 E C 2.064 178.403 176.600 -0.434 0.000 0.984 481 E CA 1.415 57.567 56.400 -0.413 0.000 0.806 481 E CB -0.405 28.911 29.700 -0.640 0.000 0.750 481 E HN 0.319 nan 8.360 nan 0.000 0.458 482 G N 0.541 109.081 108.800 -0.433 0.000 2.433 482 G HA2 -0.251 3.724 3.960 0.024 0.000 0.216 482 G HA3 -0.251 3.724 3.960 0.024 0.000 0.216 482 G C 1.761 175.971 174.900 -1.150 0.000 1.186 482 G CA 1.376 46.147 45.100 -0.548 0.000 0.779 482 G HN 0.464 nan 8.290 nan 0.000 0.543 483 A N 0.541 122.405 122.820 -1.594 0.000 1.917 483 A HA -0.067 4.267 4.320 0.024 0.000 0.219 483 A C 2.383 179.672 177.584 -0.491 0.000 1.182 483 A CA 1.985 53.340 52.037 -1.138 0.000 0.633 483 A CB -0.517 18.134 19.000 -0.582 0.000 0.819 483 A HN 0.585 nan 8.150 nan 0.000 0.448 484 L N -0.621 120.375 121.223 -0.378 0.000 2.093 484 L HA -0.091 4.263 4.340 0.024 0.000 0.208 484 L C 2.074 178.829 176.870 -0.191 0.000 1.085 484 L CA 2.080 56.790 54.840 -0.217 0.000 0.755 484 L CB -0.537 41.413 42.059 -0.182 0.000 0.904 484 L HN 0.201 nan 8.230 nan 0.000 0.435 485 K N -0.611 119.637 120.400 -0.252 0.000 2.057 485 K HA -0.121 4.213 4.320 0.024 0.000 0.207 485 K C 2.088 178.612 176.600 -0.126 0.000 1.049 485 K CA 1.189 57.366 56.287 -0.183 0.000 0.931 485 K CB -0.601 31.777 32.500 -0.203 0.000 0.714 485 K HN 0.254 nan 8.250 nan 0.000 0.440 486 L N 2.152 123.291 121.223 -0.140 0.000 1.994 486 L HA -0.176 4.178 4.340 0.024 0.000 0.208 486 L C 2.131 178.997 176.870 -0.006 0.000 1.071 486 L CA 1.792 56.602 54.840 -0.049 0.000 0.745 486 L CB -0.612 41.462 42.059 0.025 0.000 0.892 486 L HN 0.083 nan 8.230 nan 0.000 0.431 487 K N -0.627 119.771 120.400 -0.004 0.000 2.034 487 K HA -0.262 4.072 4.320 0.024 0.000 0.214 487 K C 1.988 178.643 176.600 0.092 0.000 1.051 487 K CA 2.128 58.453 56.287 0.063 0.000 0.931 487 K CB -0.248 32.276 32.500 0.041 0.000 0.715 487 K HN 0.414 nan 8.250 nan 0.000 0.446 488 E N 0.263 120.482 120.200 0.031 0.000 2.038 488 E HA -0.201 4.163 4.350 0.024 0.000 0.195 488 E C 2.034 178.686 176.600 0.086 0.000 1.000 488 E CA 1.870 58.304 56.400 0.057 0.000 0.803 488 E CB -0.053 29.640 29.700 -0.013 0.000 0.750 488 E HN 0.498 nan 8.360 nan 0.000 0.448 489 I N -2.914 117.626 120.570 -0.050 0.000 4.187 489 I HA 0.142 4.326 4.170 0.024 0.000 0.326 489 I C 1.708 177.544 176.117 -0.467 0.000 1.302 489 I CA 0.234 61.416 61.300 -0.197 0.000 1.196 489 I CB 0.655 38.575 38.000 -0.133 0.000 1.095 489 I HN -0.081 nan 8.210 nan 0.000 0.411 490 S N -0.883 114.620 115.700 -0.329 0.000 2.540 490 S HA 0.111 4.595 4.470 0.024 0.000 0.218 490 S C 0.755 175.216 174.600 -0.233 0.000 0.977 490 S CA -0.293 57.707 58.200 -0.333 0.000 0.918 490 S CB -0.543 62.579 63.200 -0.130 0.000 0.806 490 S HN 0.488 nan 8.310 nan 0.000 0.496 491 Y N 0.086 120.393 120.300 0.011 0.000 4.656 491 Y HA -0.245 4.316 4.550 0.020 0.000 0.221 491 Y C 0.416 176.354 175.900 0.064 0.000 1.045 491 Y CA -0.450 57.665 58.100 0.026 0.000 1.926 491 Y CB -2.931 35.542 38.460 0.023 0.000 1.618 491 Y HN 0.431 nan 8.280 nan 0.000 0.615 492 I N 0.814 121.491 120.570 0.177 0.000 2.779 492 I HA 0.002 4.187 4.170 0.024 0.000 0.285 492 I C 1.484 177.724 176.117 0.207 0.000 1.134 492 I CA -0.020 61.387 61.300 0.177 0.000 1.398 492 I CB 0.508 38.588 38.000 0.133 0.000 1.404 492 I HN 0.265 nan 8.210 nan 0.000 0.587 493 H N 5.764 124.869 119.070 0.059 0.000 2.923 493 H HA 0.460 5.028 4.556 0.020 0.000 0.251 493 H C -0.437 174.956 175.328 0.109 0.000 1.741 493 H CA -0.848 55.227 56.048 0.045 0.000 1.387 493 H CB 0.179 29.924 29.762 -0.029 0.000 1.740 493 H HN 0.719 nan 8.280 nan 0.000 0.544 494 A N 4.377 127.315 122.820 0.196 0.000 2.309 494 A HA 0.253 4.587 4.320 0.024 0.000 0.298 494 A C -0.181 177.477 177.584 0.124 0.000 1.165 494 A CA -0.601 51.545 52.037 0.181 0.000 0.821 494 A CB 0.748 19.883 19.000 0.225 0.000 1.102 494 A HN 0.849 nan 8.150 nan 0.000 0.500 495 E N 1.801 122.082 120.200 0.134 0.000 2.248 495 E HA 0.621 4.986 4.350 0.024 0.000 0.267 495 E C -0.605 176.142 176.600 0.245 0.000 0.877 495 E CA -0.720 55.768 56.400 0.147 0.000 0.759 495 E CB 1.891 31.654 29.700 0.105 0.000 1.182 495 E HN 0.824 nan 8.360 nan 0.000 0.418 496 A N 3.323 126.294 122.820 0.251 0.000 2.269 496 A HA 0.679 5.013 4.320 0.024 0.000 0.319 496 A C -1.575 176.336 177.584 0.545 0.000 1.110 496 A CA -0.317 51.920 52.037 0.334 0.000 0.847 496 A CB 0.679 19.762 19.000 0.138 0.000 1.161 496 A HN 0.629 nan 8.150 nan 0.000 0.497 497 Y N -1.049 119.456 120.300 0.342 0.000 2.409 497 Y HA 0.446 5.012 4.550 0.027 0.000 0.321 497 Y C 0.243 176.295 175.900 0.254 0.000 1.209 497 Y CA -0.172 58.110 58.100 0.303 0.000 1.086 497 Y CB 1.311 39.884 38.460 0.187 0.000 1.320 497 Y HN 1.100 nan 8.280 nan 0.000 0.440 498 A N 2.741 125.494 122.820 -0.112 0.000 2.583 498 A HA 0.321 4.655 4.320 0.024 0.000 0.249 498 A C 1.255 178.874 177.584 0.058 0.000 1.035 498 A CA 0.838 52.733 52.037 -0.237 0.000 0.777 498 A CB -0.257 18.494 19.000 -0.415 0.000 0.942 498 A HN 1.275 nan 8.150 nan 0.000 0.516 499 A N 3.275 126.148 122.820 0.088 0.000 2.070 499 A HA 0.109 4.444 4.320 0.024 0.000 0.220 499 A C 2.192 179.829 177.584 0.088 0.000 1.159 499 A CA 1.946 54.051 52.037 0.114 0.000 0.656 499 A CB -0.783 18.271 19.000 0.091 0.000 0.800 499 A HN 1.399 nan 8.150 nan 0.000 0.453 500 G N -0.608 108.226 108.800 0.057 0.000 2.432 500 G HA2 -0.153 3.821 3.960 0.024 0.000 0.219 500 G HA3 -0.153 3.821 3.960 0.024 0.000 0.219 500 G C 1.288 176.275 174.900 0.145 0.000 1.135 500 G CA 0.830 45.974 45.100 0.074 0.000 0.767 500 G HN 0.504 nan 8.290 nan 0.000 0.550 501 E N -0.057 120.248 120.200 0.175 0.000 2.478 501 E HA 0.064 4.428 4.350 0.024 0.000 0.194 501 E C 2.292 179.100 176.600 0.347 0.000 1.045 501 E CA -0.252 56.337 56.400 0.314 0.000 0.868 501 E CB 0.047 29.839 29.700 0.152 0.000 0.885 501 E HN 0.374 nan 8.360 nan 0.000 0.505 502 L N 2.068 123.441 121.223 0.250 0.000 2.010 502 L HA -0.277 4.078 4.340 0.024 0.000 0.219 502 L C 2.155 179.039 176.870 0.024 0.000 1.077 502 L CA 2.068 56.985 54.840 0.129 0.000 0.773 502 L CB -0.372 41.724 42.059 0.062 0.000 0.892 502 L HN -0.093 nan 8.230 nan 0.000 0.436 503 K N -1.083 119.270 120.400 -0.078 0.000 2.362 503 K HA -0.124 4.210 4.320 0.024 0.000 0.200 503 K C 1.435 177.897 176.600 -0.230 0.000 1.046 503 K CA 1.199 57.374 56.287 -0.186 0.000 0.952 503 K CB -0.395 31.951 32.500 -0.256 0.000 0.753 503 K HN 0.611 nan 8.250 nan 0.000 0.466 504 H N -1.109 118.013 119.070 0.086 0.000 2.645 504 H HA 0.259 4.829 4.556 0.024 0.000 0.300 504 H C 0.856 176.246 175.328 0.104 0.000 1.065 504 H CA 0.758 56.860 56.048 0.089 0.000 1.173 504 H CB 0.329 30.147 29.762 0.094 0.000 1.383 504 H HN 0.451 nan 8.280 nan 0.000 0.566 505 G N 0.581 109.450 108.800 0.116 0.000 3.118 505 G HA2 -0.147 3.827 3.960 0.024 0.000 0.105 505 G HA3 -0.147 3.827 3.960 0.024 0.000 0.105 505 G C -1.510 173.374 174.900 -0.027 0.000 1.918 505 G CA -0.392 44.749 45.100 0.069 0.000 1.038 505 G HN 0.071 nan 8.290 nan 0.000 0.293 506 P HA 0.022 nan 4.420 nan 0.000 0.219 506 P C 2.087 179.310 177.300 -0.129 0.000 1.146 506 P CA 0.760 63.737 63.100 -0.206 0.000 0.808 506 P CB 0.040 31.466 31.700 -0.457 0.000 0.779 507 L N 0.252 121.422 121.223 -0.089 0.000 2.034 507 L HA -0.257 4.097 4.340 0.024 0.000 0.217 507 L C 2.197 179.030 176.870 -0.062 0.000 1.077 507 L CA 2.246 57.047 54.840 -0.066 0.000 0.769 507 L CB -1.576 40.451 42.059 -0.055 0.000 0.890 507 L HN -0.057 nan 8.230 nan 0.000 0.435 508 A N -1.494 121.294 122.820 -0.053 0.000 2.076 508 A HA -0.149 4.186 4.320 0.024 0.000 0.220 508 A C 2.237 179.787 177.584 -0.056 0.000 1.160 508 A CA 1.652 53.663 52.037 -0.044 0.000 0.653 508 A CB -0.634 18.349 19.000 -0.028 0.000 0.801 508 A HN 0.513 nan 8.150 nan 0.000 0.455 509 L N -0.482 120.696 121.223 -0.075 0.000 2.270 509 L HA 0.055 4.409 4.340 0.024 0.000 0.210 509 L C 0.011 176.817 176.870 -0.107 0.000 1.104 509 L CA -0.130 54.652 54.840 -0.098 0.000 0.804 509 L CB -0.315 41.674 42.059 -0.117 0.000 0.937 509 L HN 0.206 nan 8.230 nan 0.000 0.450 510 I N 1.758 122.276 120.570 -0.086 0.000 2.598 510 I HA 0.004 4.188 4.170 0.024 0.000 0.284 510 I C 0.140 176.218 176.117 -0.065 0.000 1.140 510 I CA 0.211 61.467 61.300 -0.074 0.000 1.420 510 I CB -0.150 37.818 38.000 -0.054 0.000 1.387 510 I HN 0.211 nan 8.210 nan 0.000 0.553 511 D N 4.296 124.657 120.400 -0.065 0.000 2.895 511 D HA 0.462 5.117 4.640 0.024 0.000 0.320 511 D C 0.570 176.848 176.300 -0.036 0.000 1.249 511 D CA -0.341 53.630 54.000 -0.049 0.000 0.997 511 D CB 0.259 41.027 40.800 -0.053 0.000 1.430 511 D HN 0.274 nan 8.370 nan 0.000 0.558 512 A N -0.701 122.103 122.820 -0.027 0.000 2.139 512 A HA -0.125 4.209 4.320 0.024 0.000 0.221 512 A C 0.843 178.413 177.584 -0.023 0.000 1.159 512 A CA 1.598 53.622 52.037 -0.021 0.000 0.662 512 A CB -0.708 18.283 19.000 -0.016 0.000 0.796 512 A HN 0.493 nan 8.150 nan 0.000 0.463 513 D N -1.547 118.845 120.400 -0.013 0.000 2.388 513 D HA 0.221 4.876 4.640 0.024 0.000 0.221 513 D C 0.067 176.391 176.300 0.039 0.000 1.133 513 D CA 0.289 54.304 54.000 0.024 0.000 0.831 513 D CB 0.300 41.154 40.800 0.090 0.000 0.962 513 D HN 0.460 nan 8.370 nan 0.000 0.502 514 M N 1.494 121.089 119.600 -0.009 0.000 2.060 514 M HA 0.239 4.734 4.480 0.024 0.000 0.231 514 M C -2.988 173.312 176.300 -0.000 0.000 0.936 514 M CA -1.514 53.795 55.300 0.015 0.000 0.981 514 M CB 2.483 35.057 32.600 -0.043 0.000 2.216 514 M HN -0.356 nan 8.290 nan 0.000 0.399 515 P HA 0.176 nan 4.420 nan 0.000 0.271 515 P C -0.799 176.542 177.300 0.069 0.000 1.216 515 P CA -0.302 62.801 63.100 0.005 0.000 0.776 515 P CB 0.865 32.417 31.700 -0.248 0.000 0.881 516 V N 4.580 124.560 119.914 0.111 0.000 2.567 516 V HA 0.343 4.478 4.120 0.024 0.000 0.289 516 V C 0.549 176.724 176.094 0.136 0.000 1.049 516 V CA -0.257 62.097 62.300 0.090 0.000 0.969 516 V CB 0.855 32.713 31.823 0.059 0.000 0.995 516 V HN 0.389 nan 8.190 nan 0.000 0.471 517 I N 3.998 124.580 120.570 0.021 0.000 2.447 517 I HA 0.442 4.626 4.170 0.024 0.000 0.287 517 I C -0.643 175.517 176.117 0.073 0.000 1.023 517 I CA -0.702 60.617 61.300 0.031 0.000 1.083 517 I CB 2.120 39.946 38.000 -0.289 0.000 1.245 517 I HN 0.342 nan 8.210 nan 0.000 0.434 518 V N 6.148 126.147 119.914 0.141 0.000 2.612 518 V HA 0.430 4.565 4.120 0.024 0.000 0.301 518 V C -0.003 176.220 176.094 0.216 0.000 1.046 518 V CA -0.822 61.564 62.300 0.142 0.000 0.946 518 V CB 1.819 33.696 31.823 0.090 0.000 1.003 518 V HN 0.388 nan 8.190 nan 0.000 0.459 519 V N 3.495 123.505 119.914 0.161 0.000 2.294 519 V HA 0.650 4.784 4.120 0.024 0.000 0.272 519 V C 0.675 176.748 176.094 -0.034 0.000 1.027 519 V CA 0.165 62.536 62.300 0.117 0.000 0.823 519 V CB 0.229 32.093 31.823 0.068 0.000 1.030 519 V HN 1.512 nan 8.190 nan 0.000 0.457 520 A N 5.538 128.318 122.820 -0.066 0.000 2.876 520 A HA -0.078 4.256 4.320 0.024 0.000 0.287 520 A C -1.383 176.167 177.584 -0.057 0.000 1.455 520 A CA 0.099 51.972 52.037 -0.274 0.000 0.744 520 A CB -1.758 16.711 19.000 -0.885 0.000 1.041 520 A HN 0.632 nan 8.150 nan 0.000 0.500 521 P HA 0.316 nan 4.420 nan 0.000 0.274 521 P C 0.379 177.797 177.300 0.198 0.000 1.237 521 P CA 0.002 63.160 63.100 0.097 0.000 0.793 521 P CB 0.579 32.317 31.700 0.063 0.000 0.977 522 N N 1.285 120.080 118.700 0.159 0.000 2.374 522 N HA -0.022 4.733 4.740 0.024 0.000 0.284 522 N C 0.848 176.545 175.510 0.312 0.000 1.280 522 N CA -0.173 53.005 53.050 0.214 0.000 0.963 522 N CB -0.818 37.740 38.487 0.120 0.000 1.141 522 N HN 0.366 nan 8.380 nan 0.000 0.565 523 N N -1.381 117.497 118.700 0.297 0.000 2.250 523 N HA -0.172 4.582 4.740 0.024 0.000 0.181 523 N C 1.213 176.798 175.510 0.125 0.000 1.017 523 N CA 0.821 54.061 53.050 0.317 0.000 0.866 523 N CB -0.035 38.615 38.487 0.271 0.000 0.985 523 N HN 0.675 nan 8.380 nan 0.000 0.429 524 E N 0.211 120.466 120.200 0.091 0.000 2.216 524 E HA -0.132 4.233 4.350 0.024 0.000 0.192 524 E C 1.780 178.395 176.600 0.025 0.000 0.988 524 E CA 0.444 56.873 56.400 0.048 0.000 0.834 524 E CB -0.187 29.541 29.700 0.047 0.000 0.772 524 E HN 0.365 nan 8.360 nan 0.000 0.479 525 L N 1.056 122.298 121.223 0.031 0.000 1.988 525 L HA -0.116 4.238 4.340 0.024 0.000 0.207 525 L C 2.490 179.338 176.870 -0.036 0.000 1.071 525 L CA 1.228 56.073 54.840 0.010 0.000 0.744 525 L CB -1.228 40.846 42.059 0.026 0.000 0.893 525 L HN 0.198 nan 8.230 nan 0.000 0.433 526 L N 0.107 121.279 121.223 -0.084 0.000 2.021 526 L HA -0.283 4.071 4.340 0.024 0.000 0.215 526 L C 2.582 179.360 176.870 -0.153 0.000 1.074 526 L CA 1.917 56.630 54.840 -0.211 0.000 0.760 526 L CB -1.040 40.712 42.059 -0.511 0.000 0.889 526 L HN 0.450 nan 8.230 nan 0.000 0.433 527 E N -0.918 119.224 120.200 -0.097 0.000 2.110 527 E HA -0.241 4.123 4.350 0.024 0.000 0.193 527 E C 2.142 178.707 176.600 -0.058 0.000 0.988 527 E CA 1.227 57.585 56.400 -0.071 0.000 0.804 527 E CB -0.034 29.646 29.700 -0.033 0.000 0.745 527 E HN 0.548 nan 8.360 nan 0.000 0.458 528 K N 0.625 121.000 120.400 -0.042 0.000 1.985 528 K HA -0.131 4.203 4.320 0.024 0.000 0.210 528 K C 2.352 178.923 176.600 -0.048 0.000 1.047 528 K CA 1.118 57.383 56.287 -0.035 0.000 0.932 528 K CB -0.268 32.221 32.500 -0.018 0.000 0.716 528 K HN 0.084 nan 8.250 nan 0.000 0.439 529 L N 1.154 122.344 121.223 -0.054 0.000 2.012 529 L HA -0.221 4.134 4.340 0.024 0.000 0.210 529 L C 2.544 179.367 176.870 -0.079 0.000 1.073 529 L CA 1.120 55.926 54.840 -0.056 0.000 0.748 529 L CB -0.547 41.482 42.059 -0.051 0.000 0.891 529 L HN 0.127 nan 8.230 nan 0.000 0.431 530 K N 0.191 120.527 120.400 -0.107 0.000 2.074 530 K HA -0.205 4.129 4.320 0.024 0.000 0.209 530 K C 2.276 178.820 176.600 -0.093 0.000 1.048 530 K CA 2.059 58.274 56.287 -0.121 0.000 0.926 530 K CB -0.566 31.849 32.500 -0.141 0.000 0.713 530 K HN 0.080 nan 8.250 nan 0.000 0.444 531 S N 0.015 115.670 115.700 -0.075 0.000 2.387 531 S HA -0.026 4.458 4.470 0.024 0.000 0.226 531 S C 1.634 176.199 174.600 -0.057 0.000 1.026 531 S CA 0.906 59.070 58.200 -0.061 0.000 0.972 531 S CB -0.352 62.819 63.200 -0.049 0.000 0.814 531 S HN 0.411 nan 8.310 nan 0.000 0.477 532 N N 1.400 120.066 118.700 -0.057 0.000 2.069 532 N HA -0.079 4.676 4.740 0.024 0.000 0.191 532 N C 1.713 177.189 175.510 -0.056 0.000 1.031 532 N CA 1.325 54.343 53.050 -0.053 0.000 0.852 532 N CB -0.545 37.914 38.487 -0.048 0.000 1.018 532 N HN 0.416 nan 8.380 nan 0.000 0.423 533 I N 1.818 122.350 120.570 -0.064 0.000 2.315 533 I HA -0.181 4.003 4.170 0.024 0.000 0.248 533 I C 1.965 178.040 176.117 -0.070 0.000 1.117 533 I CA 1.126 62.385 61.300 -0.069 0.000 1.404 533 I CB -0.003 37.947 38.000 -0.083 0.000 1.071 533 I HN 0.014 nan 8.210 nan 0.000 0.419 534 E N 0.483 120.640 120.200 -0.072 0.000 2.130 534 E HA -0.313 4.052 4.350 0.024 0.000 0.196 534 E C 2.032 178.601 176.600 -0.052 0.000 0.998 534 E CA 1.352 57.714 56.400 -0.064 0.000 0.806 534 E CB -0.273 29.390 29.700 -0.061 0.000 0.738 534 E HN 0.600 nan 8.360 nan 0.000 0.459 535 E N -0.024 120.147 120.200 -0.049 0.000 2.267 535 E HA -0.145 4.220 4.350 0.024 0.000 0.197 535 E C 1.457 178.033 176.600 -0.040 0.000 0.998 535 E CA 1.164 57.539 56.400 -0.042 0.000 0.830 535 E CB 0.195 29.869 29.700 -0.043 0.000 0.751 535 E HN 0.150 nan 8.360 nan 0.000 0.491 536 V N -1.488 118.400 119.914 -0.044 0.000 2.988 536 V HA 0.243 4.377 4.120 0.024 0.000 0.356 536 V C 1.424 177.493 176.094 -0.042 0.000 1.380 536 V CA -0.167 62.108 62.300 -0.041 0.000 1.184 536 V CB 0.312 32.109 31.823 -0.043 0.000 1.204 536 V HN 0.113 nan 8.190 nan 0.000 0.530 537 R N 1.748 122.222 120.500 -0.044 0.000 2.081 537 R HA -0.038 4.316 4.340 0.024 0.000 0.235 537 R C 1.956 178.235 176.300 -0.034 0.000 1.131 537 R CA 2.118 58.192 56.100 -0.044 0.000 0.960 537 R CB -0.614 29.658 30.300 -0.048 0.000 0.856 537 R HN 0.529 nan 8.270 nan 0.000 0.436 538 A N 1.264 124.065 122.820 -0.031 0.000 2.070 538 A HA -0.071 4.263 4.320 0.024 0.000 0.220 538 A C 1.978 179.548 177.584 -0.024 0.000 1.159 538 A CA 1.159 53.181 52.037 -0.025 0.000 0.656 538 A CB -0.355 18.631 19.000 -0.023 0.000 0.800 538 A HN 0.390 nan 8.150 nan 0.000 0.453 539 R N -1.233 119.251 120.500 -0.027 0.000 2.317 539 R HA 0.198 4.552 4.340 0.024 0.000 0.208 539 R C 0.763 177.048 176.300 -0.025 0.000 0.914 539 R CA 0.473 56.557 56.100 -0.026 0.000 1.060 539 R CB -0.078 30.203 30.300 -0.031 0.000 1.015 539 R HN 0.646 nan 8.270 nan 0.000 0.498 540 G N 1.074 109.859 108.800 -0.025 0.000 2.368 540 G HA2 -0.200 3.774 3.960 0.024 0.000 0.290 540 G HA3 -0.200 3.774 3.960 0.024 0.000 0.290 540 G C 0.004 174.892 174.900 -0.020 0.000 1.098 540 G CA -0.020 45.067 45.100 -0.021 0.000 1.073 540 G HN 0.457 nan 8.290 nan 0.000 0.511 541 G N -0.542 108.243 108.800 -0.026 0.000 2.400 541 G HA2 0.713 4.688 3.960 0.024 0.000 0.333 541 G HA3 0.713 4.688 3.960 0.024 0.000 0.333 541 G C -0.353 174.536 174.900 -0.020 0.000 1.143 541 G CA -0.538 44.550 45.100 -0.021 0.000 0.914 541 G HN 0.424 nan 8.290 nan 0.000 0.480 542 Q N 0.874 120.684 119.800 0.017 0.000 2.365 542 Q HA 0.366 4.720 4.340 0.024 0.000 0.269 542 Q C -0.962 175.040 176.000 0.002 0.000 1.061 542 Q CA -0.806 54.992 55.803 -0.008 0.000 0.816 542 Q CB 3.036 31.810 28.738 0.061 0.000 1.325 542 Q HN 0.390 nan 8.270 nan 0.000 0.446 543 L N 2.873 124.009 121.223 -0.144 0.000 2.276 543 L HA 0.381 4.735 4.340 0.024 0.000 0.286 543 L C -1.260 175.500 176.870 -0.184 0.000 1.061 543 L CA -0.533 54.248 54.840 -0.100 0.000 0.807 543 L CB 0.364 42.329 42.059 -0.157 0.000 1.177 543 L HN 0.602 nan 8.230 nan 0.000 0.429 544 Y N 3.300 123.612 120.300 0.020 0.000 2.328 544 Y HA 0.394 4.958 4.550 0.023 0.000 0.337 544 Y C 0.018 175.882 175.900 -0.061 0.000 0.966 544 Y CA -0.695 57.410 58.100 0.009 0.000 1.136 544 Y CB 1.951 40.459 38.460 0.080 0.000 1.170 544 Y HN 0.140 nan 8.280 nan 0.000 0.470 545 V N 5.185 125.089 119.914 -0.016 0.000 2.378 545 V HA 0.330 4.465 4.120 0.024 0.000 0.288 545 V C -0.764 175.299 176.094 -0.052 0.000 1.016 545 V CA -1.069 61.236 62.300 0.010 0.000 0.840 545 V CB 0.606 32.421 31.823 -0.013 0.000 0.994 545 V HN 0.472 nan 8.190 nan 0.000 0.431 546 F N 3.863 123.926 119.950 0.188 0.000 2.421 546 F HA 0.728 5.269 4.527 0.023 0.000 0.358 546 F C 0.664 176.660 175.800 0.327 0.000 1.115 546 F CA -0.033 58.131 58.000 0.274 0.000 1.160 546 F CB 1.089 40.291 39.000 0.336 0.000 1.123 546 F HN 0.587 nan 8.300 nan 0.000 0.508 547 A N 2.228 125.342 122.820 0.490 0.000 2.532 547 A HA 0.478 4.812 4.320 0.024 0.000 0.290 547 A C -1.090 176.743 177.584 0.415 0.000 1.143 547 A CA -0.884 51.419 52.037 0.444 0.000 0.728 547 A CB 1.059 20.380 19.000 0.535 0.000 1.317 547 A HN 0.483 nan 8.150 nan 0.000 0.414 548 D N 0.795 121.388 120.400 0.321 0.000 2.458 548 D HA -0.012 4.642 4.640 0.024 0.000 0.243 548 D C 1.453 177.830 176.300 0.128 0.000 1.146 548 D CA 0.353 54.509 54.000 0.260 0.000 0.877 548 D CB 1.070 41.993 40.800 0.205 0.000 1.176 548 D HN 0.620 nan 8.370 nan 0.000 0.461 549 Q N 2.744 122.630 119.800 0.145 0.000 2.291 549 Q HA -0.199 4.155 4.340 0.024 0.000 0.206 549 Q C 0.036 176.047 176.000 0.018 0.000 0.976 549 Q CA 1.226 57.079 55.803 0.083 0.000 0.875 549 Q CB 0.147 28.942 28.738 0.096 0.000 0.927 549 Q HN 0.334 nan 8.270 nan 0.000 0.450 550 D N 0.693 121.106 120.400 0.021 0.000 2.355 550 D HA 0.096 4.751 4.640 0.024 0.000 0.218 550 D C 1.376 177.601 176.300 -0.125 0.000 1.004 550 D CA 0.857 54.835 54.000 -0.037 0.000 0.880 550 D CB 0.206 40.987 40.800 -0.032 0.000 0.911 550 D HN 0.446 nan 8.370 nan 0.000 0.528 551 A N 0.176 122.854 122.820 -0.237 0.000 2.119 551 A HA 0.312 4.646 4.320 0.024 0.000 0.216 551 A C 1.821 179.115 177.584 -0.483 0.000 1.152 551 A CA 0.899 52.616 52.037 -0.535 0.000 0.708 551 A CB -0.494 17.779 19.000 -1.213 0.000 0.805 551 A HN 0.216 nan 8.150 nan 0.000 0.460 552 G N -1.013 107.635 108.800 -0.253 0.000 2.323 552 G HA2 -0.247 3.727 3.960 0.024 0.000 0.292 552 G HA3 -0.247 3.727 3.960 0.024 0.000 0.292 552 G C -0.177 174.732 174.900 0.015 0.000 1.040 552 G CA 0.214 45.257 45.100 -0.095 0.000 0.942 552 G HN 0.222 nan 8.290 nan 0.000 0.506 553 F N -0.851 119.116 119.950 0.029 0.000 2.418 553 F HA 0.531 5.073 4.527 0.025 0.000 0.341 553 F C 0.907 176.709 175.800 0.004 0.000 1.120 553 F CA -1.318 56.691 58.000 0.015 0.000 1.232 553 F CB 1.476 40.488 39.000 0.019 0.000 1.175 553 F HN 0.105 nan 8.300 nan 0.000 0.569 554 V N 0.738 120.770 119.914 0.198 0.000 2.540 554 V HA 0.387 4.521 4.120 0.024 0.000 0.302 554 V C -0.102 176.003 176.094 0.018 0.000 1.035 554 V CA -1.210 61.141 62.300 0.085 0.000 0.873 554 V CB 1.361 33.217 31.823 0.054 0.000 0.992 554 V HN 0.681 nan 8.190 nan 0.000 0.428 555 S N 3.300 119.003 115.700 0.004 0.000 2.498 555 S HA 0.284 4.768 4.470 0.024 0.000 0.281 555 S C 0.680 175.232 174.600 -0.080 0.000 1.265 555 S CA 0.011 58.182 58.200 -0.049 0.000 1.071 555 S CB 0.491 63.690 63.200 -0.001 0.000 0.894 555 S HN 1.133 nan 8.310 nan 0.000 0.491 556 S N 2.204 117.810 115.700 -0.156 0.000 2.719 556 S HA 0.271 4.755 4.470 0.024 0.000 0.285 556 S C 0.917 175.410 174.600 -0.179 0.000 1.137 556 S CA -0.372 57.742 58.200 -0.144 0.000 1.012 556 S CB 0.481 63.595 63.200 -0.144 0.000 1.134 556 S HN 0.655 nan 8.310 nan 0.000 0.544 557 D N 0.631 120.957 120.400 -0.124 0.000 2.264 557 D HA -0.133 4.521 4.640 0.024 0.000 0.208 557 D C 1.039 177.256 176.300 -0.138 0.000 0.966 557 D CA 1.397 55.355 54.000 -0.069 0.000 0.864 557 D CB -0.627 40.150 40.800 -0.039 0.000 0.933 557 D HN 0.673 nan 8.370 nan 0.000 0.499 558 N N -0.594 117.923 118.700 -0.306 0.000 2.159 558 N HA 0.032 4.787 4.740 0.024 0.000 0.217 558 N C -0.107 174.984 175.510 -0.697 0.000 1.223 558 N CA -0.341 52.462 53.050 -0.410 0.000 0.896 558 N CB 0.021 38.403 38.487 -0.175 0.000 1.064 558 N HN 0.220 nan 8.380 nan 0.000 0.518 559 M N 1.756 120.918 119.600 -0.729 0.000 2.114 559 M HA 0.273 4.767 4.480 0.024 0.000 0.332 559 M C -1.559 174.283 176.300 -0.764 0.000 1.014 559 M CA -0.474 54.443 55.300 -0.639 0.000 0.956 559 M CB 0.886 33.272 32.600 -0.355 0.000 1.551 559 M HN -0.014 nan 8.290 nan 0.000 0.427 560 H N 6.371 125.239 119.070 -0.336 0.000 2.638 560 H HA 0.341 4.911 4.556 0.024 0.000 0.303 560 H C -0.555 174.662 175.328 -0.185 0.000 1.034 560 H CA -0.658 55.216 56.048 -0.289 0.000 1.225 560 H CB 0.753 30.227 29.762 -0.480 0.000 1.394 560 H HN 0.573 nan 8.280 nan 0.000 0.477 561 I N 4.690 125.250 120.570 -0.016 0.000 2.416 561 I HA 0.049 4.234 4.170 0.024 0.000 0.288 561 I C 0.631 176.757 176.117 0.015 0.000 1.051 561 I CA -0.594 60.718 61.300 0.019 0.000 1.375 561 I CB 0.072 38.130 38.000 0.097 0.000 1.407 561 I HN 0.382 nan 8.210 nan 0.000 0.516 562 I N 6.377 126.916 120.570 -0.052 0.000 2.337 562 I HA 0.207 4.391 4.170 0.024 0.000 0.285 562 I C 0.578 176.725 176.117 0.050 0.000 1.041 562 I CA -0.233 61.023 61.300 -0.072 0.000 1.199 562 I CB 0.329 38.138 38.000 -0.320 0.000 1.370 562 I HN 0.460 nan 8.210 nan 0.000 0.470 563 E N 6.299 126.554 120.200 0.092 0.000 2.338 563 E HA 0.395 4.760 4.350 0.024 0.000 0.272 563 E C -0.435 176.256 176.600 0.152 0.000 1.029 563 E CA -0.369 56.115 56.400 0.139 0.000 0.872 563 E CB 0.979 30.746 29.700 0.111 0.000 1.015 563 E HN 0.352 nan 8.360 nan 0.000 0.417 564 M N 2.622 122.342 119.600 0.200 0.000 2.602 564 M HA 0.412 4.906 4.480 0.024 0.000 0.312 564 M C -2.434 173.995 176.300 0.216 0.000 1.181 564 M CA -3.055 52.343 55.300 0.163 0.000 0.910 564 M CB 1.097 33.762 32.600 0.109 0.000 1.723 564 M HN 0.154 nan 8.290 nan 0.000 0.459 565 P HA 0.022 nan 4.420 nan 0.000 0.270 565 P C -0.609 176.841 177.300 0.250 0.000 1.227 565 P CA 0.073 63.311 63.100 0.229 0.000 0.788 565 P CB 0.195 32.035 31.700 0.233 0.000 0.926 566 H N 0.491 119.606 119.070 0.076 0.000 2.848 566 H HA 0.351 4.921 4.556 0.024 0.000 0.341 566 H C -0.203 175.056 175.328 -0.115 0.000 1.060 566 H CA 0.198 56.261 56.048 0.026 0.000 1.444 566 H CB 0.080 29.842 29.762 -0.000 0.000 1.446 566 H HN 0.126 nan 8.280 nan 0.000 0.583 567 V N 1.305 120.775 119.914 -0.739 0.000 3.141 567 V HA 0.450 4.585 4.120 0.024 0.000 0.312 567 V C -0.368 175.319 176.094 -0.679 0.000 1.157 567 V CA -1.362 60.488 62.300 -0.751 0.000 1.041 567 V CB 1.933 33.179 31.823 -0.961 0.000 1.071 567 V HN 0.723 nan 8.190 nan 0.000 0.441 568 E N 0.867 120.850 120.200 -0.362 0.000 2.366 568 E HA 0.160 4.525 4.350 0.024 0.000 0.266 568 E C 0.931 177.464 176.600 -0.111 0.000 1.015 568 E CA 0.478 56.775 56.400 -0.172 0.000 0.906 568 E CB 0.866 30.512 29.700 -0.090 0.000 0.979 568 E HN 0.857 nan 8.360 nan 0.000 0.443 569 E N 2.164 122.334 120.200 -0.049 0.000 2.197 569 E HA -0.299 4.065 4.350 0.024 0.000 0.205 569 E C 1.414 178.049 176.600 0.058 0.000 1.029 569 E CA 1.313 57.723 56.400 0.018 0.000 0.828 569 E CB 0.170 29.897 29.700 0.044 0.000 0.737 569 E HN 0.385 nan 8.360 nan 0.000 0.464 570 V N 0.757 120.683 119.914 0.020 0.000 2.719 570 V HA -0.150 3.984 4.120 0.024 0.000 0.252 570 V C 1.915 178.031 176.094 0.037 0.000 1.065 570 V CA 1.552 63.857 62.300 0.008 0.000 1.086 570 V CB -0.213 31.550 31.823 -0.100 0.000 0.700 570 V HN 0.394 nan 8.190 nan 0.000 0.467 571 I N -2.873 117.716 120.570 0.031 0.000 3.941 571 I HA 0.447 4.631 4.170 0.024 0.000 0.335 571 I C 1.860 178.094 176.117 0.194 0.000 1.402 571 I CA 0.547 61.901 61.300 0.090 0.000 1.112 571 I CB -0.149 37.847 38.000 -0.007 0.000 1.043 571 I HN 0.017 nan 8.210 nan 0.000 0.395 572 A N 2.703 125.650 122.820 0.212 0.000 1.851 572 A HA -0.009 4.326 4.320 0.024 0.000 0.216 572 A C 0.233 178.069 177.584 0.420 0.000 1.195 572 A CA 1.792 54.033 52.037 0.340 0.000 0.622 572 A CB -1.937 17.204 19.000 0.236 0.000 0.831 572 A HN 0.348 nan 8.150 nan 0.000 0.444 573 P HA -0.224 nan 4.420 nan 0.000 0.220 573 P C 1.321 178.766 177.300 0.241 0.000 1.155 573 P CA 1.616 64.829 63.100 0.188 0.000 0.880 573 P CB -0.169 31.574 31.700 0.071 0.000 0.790 574 I N -3.410 117.329 120.570 0.282 0.000 2.406 574 I HA -0.179 4.005 4.170 0.024 0.000 0.249 574 I C 2.209 178.473 176.117 0.245 0.000 1.122 574 I CA 0.957 62.387 61.300 0.217 0.000 1.431 574 I CB -0.561 37.544 38.000 0.175 0.000 1.087 574 I HN -0.103 nan 8.210 nan 0.000 0.424 575 F N 1.723 121.731 119.950 0.098 0.000 2.113 575 F HA -0.208 4.335 4.527 0.025 0.000 0.297 575 F C 2.059 177.828 175.800 -0.052 0.000 1.103 575 F CA 1.432 59.437 58.000 0.009 0.000 1.248 575 F CB -0.723 38.281 39.000 0.006 0.000 0.999 575 F HN -0.041 nan 8.300 nan 0.000 0.475 576 Y N 0.232 120.517 120.300 -0.025 0.000 2.688 576 Y HA -0.089 4.475 4.550 0.023 0.000 0.311 576 Y C 2.280 178.065 175.900 -0.192 0.000 1.185 576 Y CA 1.209 59.193 58.100 -0.194 0.000 1.336 576 Y CB -0.881 37.549 38.460 -0.050 0.000 1.015 576 Y HN 0.041 nan 8.280 nan 0.000 0.522 577 T N -1.689 112.856 114.554 -0.015 0.000 3.009 577 T HA -0.063 4.301 4.350 0.024 0.000 0.258 577 T C 2.085 176.713 174.700 -0.119 0.000 1.063 577 T CA 0.885 62.981 62.100 -0.006 0.000 1.139 577 T CB -0.206 68.775 68.868 0.188 0.000 0.890 577 T HN 0.096 nan 8.240 nan 0.000 0.471 578 V N 3.129 122.939 119.914 -0.174 0.000 2.343 578 V HA -0.101 4.033 4.120 0.024 0.000 0.247 578 V C -0.333 175.629 176.094 -0.220 0.000 1.051 578 V CA 1.538 63.717 62.300 -0.201 0.000 1.036 578 V CB -1.740 29.952 31.823 -0.219 0.000 0.654 578 V HN 0.388 nan 8.190 nan 0.000 0.451 579 P HA -0.134 nan 4.420 nan 0.000 0.217 579 P C 1.917 179.088 177.300 -0.216 0.000 1.150 579 P CA 1.504 64.466 63.100 -0.229 0.000 0.832 579 P CB -0.008 31.496 31.700 -0.328 0.000 0.787 580 L N -0.498 120.561 121.223 -0.273 0.000 2.027 580 L HA -0.157 4.197 4.340 0.024 0.000 0.206 580 L C 2.947 179.744 176.870 -0.121 0.000 1.074 580 L CA 1.597 56.329 54.840 -0.179 0.000 0.745 580 L CB -1.332 40.643 42.059 -0.140 0.000 0.898 580 L HN 0.013 nan 8.230 nan 0.000 0.433 581 Q N 0.308 120.023 119.800 -0.142 0.000 2.077 581 Q HA -0.231 4.123 4.340 0.024 0.000 0.206 581 Q C 2.329 178.289 176.000 -0.066 0.000 0.989 581 Q CA 1.446 57.175 55.803 -0.124 0.000 0.853 581 Q CB -0.345 28.303 28.738 -0.150 0.000 0.907 581 Q HN 0.494 nan 8.270 nan 0.000 0.418 582 L N 0.290 121.479 121.223 -0.058 0.000 2.131 582 L HA -0.180 4.175 4.340 0.024 0.000 0.210 582 L C 2.414 179.365 176.870 0.135 0.000 1.092 582 L CA 0.465 55.334 54.840 0.049 0.000 0.759 582 L CB -0.400 41.698 42.059 0.064 0.000 0.903 582 L HN 0.280 nan 8.230 nan 0.000 0.435 583 L N 0.284 121.535 121.223 0.047 0.000 2.005 583 L HA -0.111 4.244 4.340 0.024 0.000 0.207 583 L C 2.657 179.519 176.870 -0.013 0.000 1.072 583 L CA 2.101 56.950 54.840 0.016 0.000 0.744 583 L CB -0.846 41.169 42.059 -0.072 0.000 0.895 583 L HN 0.097 nan 8.230 nan 0.000 0.433 584 A N -1.199 121.603 122.820 -0.030 0.000 1.917 584 A HA -0.313 4.022 4.320 0.024 0.000 0.219 584 A C 2.342 179.902 177.584 -0.041 0.000 1.182 584 A CA 2.076 54.086 52.037 -0.045 0.000 0.633 584 A CB -1.378 17.586 19.000 -0.060 0.000 0.819 584 A HN 0.696 nan 8.150 nan 0.000 0.448 585 Y N 0.211 120.426 120.300 -0.142 0.000 2.145 585 Y HA -0.256 4.310 4.550 0.026 0.000 0.286 585 Y C 2.558 178.326 175.900 -0.220 0.000 1.145 585 Y CA 2.219 60.197 58.100 -0.203 0.000 1.148 585 Y CB -0.494 37.817 38.460 -0.248 0.000 0.981 585 Y HN 0.501 nan 8.280 nan 0.000 0.507 586 H N -1.268 117.727 119.070 -0.124 0.000 2.387 586 H HA -0.126 4.444 4.556 0.023 0.000 0.299 586 H C 2.510 177.730 175.328 -0.181 0.000 1.090 586 H CA 1.686 57.627 56.048 -0.179 0.000 1.332 586 H CB -0.515 29.227 29.762 -0.033 0.000 1.386 586 H HN 0.311 nan 8.280 nan 0.000 0.516 587 V N 1.274 121.159 119.914 -0.048 0.000 2.255 587 V HA -0.277 3.857 4.120 0.024 0.000 0.247 587 V C 2.866 178.875 176.094 -0.143 0.000 1.051 587 V CA 1.697 63.959 62.300 -0.062 0.000 1.018 587 V CB -1.061 30.732 31.823 -0.050 0.000 0.641 587 V HN 0.470 nan 8.190 nan 0.000 0.445 588 A N -0.419 122.263 122.820 -0.230 0.000 1.940 588 A HA -0.233 4.102 4.320 0.024 0.000 0.219 588 A C 2.164 179.571 177.584 -0.294 0.000 1.176 588 A CA 2.241 54.101 52.037 -0.295 0.000 0.631 588 A CB -0.579 18.218 19.000 -0.339 0.000 0.814 588 A HN 0.473 nan 8.150 nan 0.000 0.446 589 L N -0.614 120.387 121.223 -0.370 0.000 2.093 589 L HA -0.004 4.350 4.340 0.024 0.000 0.208 589 L C 2.161 178.964 176.870 -0.111 0.000 1.085 589 L CA 1.576 56.253 54.840 -0.272 0.000 0.755 589 L CB -0.293 41.560 42.059 -0.343 0.000 0.904 589 L HN 0.415 nan 8.230 nan 0.000 0.435 590 I N -0.976 119.543 120.570 -0.085 0.000 2.333 590 I HA -0.225 3.959 4.170 0.024 0.000 0.246 590 I C 2.356 178.449 176.117 -0.040 0.000 1.106 590 I CA 0.947 62.227 61.300 -0.035 0.000 1.411 590 I CB -0.132 37.859 38.000 -0.016 0.000 1.082 590 I HN 0.172 nan 8.210 nan 0.000 0.420 591 K N 0.550 120.910 120.400 -0.067 0.000 2.211 591 K HA -0.036 4.299 4.320 0.024 0.000 0.203 591 K C 1.114 177.686 176.600 -0.047 0.000 1.050 591 K CA 0.960 57.213 56.287 -0.056 0.000 0.945 591 K CB -0.024 32.422 32.500 -0.089 0.000 0.732 591 K HN 0.448 nan 8.250 nan 0.000 0.451 592 G N 1.732 110.493 108.800 -0.065 0.000 2.149 592 G HA2 -0.251 3.723 3.960 0.024 0.000 0.235 592 G HA3 -0.251 3.723 3.960 0.024 0.000 0.235 592 G C 0.075 174.952 174.900 -0.039 0.000 1.018 592 G CA 0.423 45.502 45.100 -0.034 0.000 0.728 592 G HN 0.410 nan 8.290 nan 0.000 0.508 593 T N -2.032 112.452 114.554 -0.116 0.000 2.899 593 T HA 0.497 4.862 4.350 0.024 0.000 0.284 593 T C 0.187 174.821 174.700 -0.109 0.000 1.004 593 T CA -0.050 61.971 62.100 -0.132 0.000 1.043 593 T CB 2.072 70.694 68.868 -0.410 0.000 1.013 593 T HN 0.123 nan 8.240 nan 0.000 0.518 594 D N 1.592 121.987 120.400 -0.008 0.000 2.482 594 D HA 0.043 4.697 4.640 0.024 0.000 0.244 594 D C 1.274 177.537 176.300 -0.061 0.000 1.242 594 D CA -0.266 53.742 54.000 0.013 0.000 1.097 594 D CB -0.433 40.421 40.800 0.090 0.000 1.109 594 D HN 0.367 nan 8.370 nan 0.000 0.510 595 V N 3.104 122.881 119.914 -0.227 0.000 2.282 595 V HA -0.258 3.877 4.120 0.024 0.000 0.249 595 V C 1.922 177.960 176.094 -0.094 0.000 1.057 595 V CA 1.764 63.914 62.300 -0.251 0.000 1.032 595 V CB -0.244 31.277 31.823 -0.503 0.000 0.645 595 V HN 0.442 nan 8.190 nan 0.000 0.447 596 D N -0.453 119.931 120.400 -0.027 0.000 2.103 596 D HA -0.062 4.593 4.640 0.024 0.000 0.199 596 D C 1.381 177.715 176.300 0.058 0.000 0.978 596 D CA 0.989 55.040 54.000 0.085 0.000 0.829 596 D CB -0.102 40.842 40.800 0.240 0.000 0.981 596 D HN 0.509 nan 8.370 nan 0.000 0.464 597 Q N 1.427 121.265 119.800 0.063 0.000 2.636 597 Q HA 0.254 4.609 4.340 0.024 0.000 0.233 597 Q C -2.339 173.707 176.000 0.077 0.000 1.143 597 Q CA -1.711 54.125 55.803 0.055 0.000 0.969 597 Q CB 1.868 30.637 28.738 0.052 0.000 1.185 597 Q HN 0.141 nan 8.270 nan 0.000 0.546 598 P HA -0.108 nan 4.420 nan 0.000 0.269 598 P C -0.554 176.836 177.300 0.150 0.000 1.217 598 P CA 0.008 63.233 63.100 0.208 0.000 0.783 598 P CB 0.612 32.442 31.700 0.217 0.000 0.898 599 R N 1.412 121.981 120.500 0.114 0.000 2.543 599 R HA 0.135 4.490 4.340 0.024 0.000 0.277 599 R C 0.042 176.289 176.300 -0.088 0.000 1.074 599 R CA -0.212 55.850 56.100 -0.064 0.000 1.076 599 R CB -0.627 29.536 30.300 -0.228 0.000 0.993 599 R HN 0.470 nan 8.270 nan 0.000 0.459 600 N N -0.496 118.167 118.700 -0.063 0.000 2.828 600 N HA -0.186 4.568 4.740 0.024 0.000 0.248 600 N C -1.007 174.483 175.510 -0.033 0.000 1.044 600 N CA 1.054 54.071 53.050 -0.056 0.000 0.851 600 N CB -0.710 37.725 38.487 -0.088 0.000 1.136 600 N HN 0.500 nan 8.380 nan 0.000 0.572 601 L N -0.087 121.128 121.223 -0.013 0.000 2.330 601 L HA 0.861 5.215 4.340 0.024 0.000 0.271 601 L C -0.024 176.845 176.870 -0.001 0.000 1.013 601 L CA -0.947 53.891 54.840 -0.003 0.000 0.816 601 L CB 1.781 43.850 42.059 0.016 0.000 1.287 601 L HN 0.071 nan 8.230 nan 0.000 0.435 602 A N 1.192 124.010 122.820 -0.004 0.000 2.371 602 A HA 0.455 4.790 4.320 0.024 0.000 0.311 602 A C 0.265 177.844 177.584 -0.007 0.000 1.068 602 A CA -0.548 51.486 52.037 -0.006 0.000 0.744 602 A CB 1.828 20.824 19.000 -0.007 0.000 1.239 602 A HN 0.700 nan 8.150 nan 0.000 0.435 603 K N 1.224 121.617 120.400 -0.011 0.000 2.034 603 K HA -0.119 4.215 4.320 0.024 0.000 0.214 603 K C 0.807 177.401 176.600 -0.010 0.000 1.051 603 K CA 2.477 58.756 56.287 -0.015 0.000 0.931 603 K CB -0.219 32.267 32.500 -0.023 0.000 0.715 603 K HN 1.089 nan 8.250 nan 0.000 0.446 604 S N -2.181 113.514 115.700 -0.009 0.000 2.579 604 S HA 0.491 4.975 4.470 0.024 0.000 0.272 604 S C -0.972 173.626 174.600 -0.004 0.000 1.141 604 S CA -0.974 57.223 58.200 -0.005 0.000 0.843 604 S CB 2.019 65.217 63.200 -0.004 0.000 1.122 604 S HN -0.143 nan 8.310 nan 0.000 0.468 605 V N 3.175 123.089 119.914 -0.001 0.000 2.284 605 V HA 0.317 4.451 4.120 0.024 0.000 0.260 605 V C 1.492 177.587 176.094 0.002 0.000 1.084 605 V CA 0.161 62.462 62.300 0.001 0.000 0.894 605 V CB -0.892 30.933 31.823 0.003 0.000 1.119 605 V HN 1.139 nan 8.190 nan 0.000 0.484 606 T N 1.763 116.318 114.554 0.001 0.000 2.896 606 T HA 0.047 4.412 4.350 0.024 0.000 0.238 606 T C 1.092 175.795 174.700 0.004 0.000 1.045 606 T CA 0.778 62.879 62.100 0.002 0.000 1.248 606 T CB -0.371 68.496 68.868 -0.001 0.000 0.955 606 T HN 0.917 nan 8.240 nan 0.000 0.416 607 V N 1.343 121.259 119.914 0.004 0.000 2.970 607 V HA 0.055 4.189 4.120 0.024 0.000 0.277 607 V C 0.547 176.647 176.094 0.011 0.000 1.486 607 V CA -0.441 61.863 62.300 0.006 0.000 1.480 607 V CB -0.484 31.341 31.823 0.003 0.000 0.866 607 V HN 0.489 nan 8.190 nan 0.000 0.512 608 E N 0.000 120.209 120.200 0.015 0.000 2.725 608 E HA 0.000 4.364 4.350 0.024 0.000 0.291 608 E CA 0.000 56.414 56.400 0.023 0.000 0.976 608 E CB 0.000 29.715 29.700 0.025 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440