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 1svl_1_A DATA FIRST_RESID 265 DATA SEQUENCE TKQVSWKLVT EYAMETKCDD VLLLLGMYLE FQYSFEMCLK CIKKEQPSHY DATA SEQUENCE KYHEKHYANA AIFADSKNQK TICQQAVDTV LAKKRVDSLQ LTREQMLTNR DATA SEQUENCE FNDLLDRMDI MFGSTGSADI EEWMAGVAWL HCLLPKMDSV VYDFLKCMVY DATA SEQUENCE NIPKKRYWLF KGPIDSGKTT LAAALLELCG GKALNVNLPL DRLNFELGVA DATA SEQUENCE IDQFLVVFED VKGTGGESRD LPSGQGINNL DNLRDYLDGS VKVNLEKKHL DATA SEQUENCE NKRTQIFPPG IVTMNEYSVP KTLQARFVKQ IDFRPKDYLK HCLERSEFLL DATA SEQUENCE EKRIIQSGIA LLLMLIWYRP VAEFAQSIQS RIVEWKERLD KEFSLSVYQK DATA SEQUENCE MKFNVAMGIG VLD 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 265 T HA 0.000 nan 4.350 nan 0.000 0.228 265 T C 0.000 174.719 174.700 0.031 0.000 1.109 265 T CA 0.000 62.118 62.100 0.030 0.000 1.349 265 T CB 0.000 68.879 68.868 0.019 0.000 0.612 266 K N 1.751 122.171 120.400 0.034 0.000 2.358 266 K HA 0.360 4.680 4.320 -0.000 0.000 0.197 266 K C 0.400 177.029 176.600 0.049 0.000 1.025 266 K CA 0.107 56.414 56.287 0.033 0.000 1.104 266 K CB 0.413 32.928 32.500 0.025 0.000 0.855 266 K HN 0.380 nan 8.250 nan 0.000 0.531 267 Q N -0.002 119.839 119.800 0.067 0.000 2.375 267 Q HA 0.351 4.691 4.340 -0.000 0.000 0.271 267 Q C -1.115 174.971 176.000 0.143 0.000 1.074 267 Q CA -0.946 54.918 55.803 0.102 0.000 0.808 267 Q CB 1.943 30.739 28.738 0.096 0.000 1.327 267 Q HN -0.090 nan 8.270 nan 0.000 0.441 268 V N 2.269 122.301 119.914 0.196 0.000 2.740 268 V HA 0.042 4.162 4.120 -0.000 0.000 0.303 268 V C 0.249 176.533 176.094 0.317 0.000 1.054 268 V CA 0.248 62.695 62.300 0.245 0.000 1.106 268 V CB 1.358 33.334 31.823 0.255 0.000 0.957 268 V HN 0.752 nan 8.190 nan 0.000 0.486 269 S N 4.348 120.203 115.700 0.260 0.000 2.399 269 S HA 0.165 4.635 4.470 -0.000 0.000 0.301 269 S C 0.487 175.271 174.600 0.307 0.000 1.093 269 S CA -0.632 57.727 58.200 0.265 0.000 1.077 269 S CB -0.024 63.280 63.200 0.173 0.000 0.980 269 S HN 0.622 nan 8.310 nan 0.000 0.494 270 W N 4.308 125.626 121.300 0.030 0.000 2.363 270 W HA -0.003 4.657 4.660 -0.000 0.000 0.296 270 W C 2.337 178.847 176.519 -0.015 0.000 1.212 270 W CA 0.797 58.143 57.345 0.000 0.000 1.260 270 W CB -0.382 29.084 29.460 0.009 0.000 1.131 270 W HN 0.657 nan 8.180 nan 0.000 0.530 271 K N -0.002 120.549 120.400 0.253 0.000 2.097 271 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 271 K C 1.841 178.518 176.600 0.128 0.000 1.049 271 K CA 1.077 57.453 56.287 0.150 0.000 0.933 271 K CB -0.369 32.197 32.500 0.110 0.000 0.717 271 K HN 0.061 nan 8.250 nan 0.000 0.442 272 L N 1.089 122.401 121.223 0.148 0.000 2.109 272 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 272 L C 2.323 179.307 176.870 0.189 0.000 1.086 272 L CA 1.046 56.010 54.840 0.208 0.000 0.760 272 L CB -0.576 41.629 42.059 0.243 0.000 0.910 272 L HN 0.089 nan 8.230 nan 0.000 0.437 273 V N -0.812 119.076 119.914 -0.043 0.000 2.358 273 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 273 V C 2.550 178.552 176.094 -0.153 0.000 1.047 273 V CA 1.869 63.938 62.300 -0.385 0.000 1.035 273 V CB -0.803 30.587 31.823 -0.722 0.000 0.658 273 V HN 0.406 nan 8.190 nan 0.000 0.452 274 T N -0.348 114.174 114.554 -0.053 0.000 2.720 274 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 274 T C 1.881 176.583 174.700 0.005 0.000 1.037 274 T CA 1.933 64.024 62.100 -0.015 0.000 1.144 274 T CB -0.223 68.668 68.868 0.038 0.000 0.864 274 T HN 0.668 nan 8.240 nan 0.000 0.444 275 E N -0.308 119.932 120.200 0.066 0.000 2.077 275 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 275 E C 2.036 178.680 176.600 0.072 0.000 0.989 275 E CA 1.023 57.481 56.400 0.097 0.000 0.800 275 E CB -0.231 29.574 29.700 0.176 0.000 0.746 275 E HN 0.635 nan 8.360 nan 0.000 0.452 276 Y N 0.846 121.110 120.300 -0.060 0.000 2.145 276 Y HA -0.157 4.393 4.550 -0.000 0.000 0.286 276 Y C 2.100 177.850 175.900 -0.249 0.000 1.145 276 Y CA 1.743 59.687 58.100 -0.261 0.000 1.148 276 Y CB -0.720 37.504 38.460 -0.393 0.000 0.981 276 Y HN 0.125 nan 8.280 nan 0.000 0.507 277 A N 0.097 122.760 122.820 -0.261 0.000 1.908 277 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 277 A C 2.256 179.681 177.584 -0.265 0.000 1.181 277 A CA 2.242 54.103 52.037 -0.294 0.000 0.627 277 A CB -0.892 18.021 19.000 -0.146 0.000 0.818 277 A HN 0.559 nan 8.150 nan 0.000 0.445 278 M N -0.131 119.369 119.600 -0.167 0.000 2.086 278 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 278 M C 1.862 178.083 176.300 -0.132 0.000 1.067 278 M CA 1.624 56.858 55.300 -0.110 0.000 1.116 278 M CB -0.548 32.025 32.600 -0.046 0.000 1.348 278 M HN 0.450 nan 8.290 nan 0.000 0.407 279 E N -0.965 119.137 120.200 -0.163 0.000 2.153 279 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 279 E C 1.703 178.189 176.600 -0.190 0.000 0.988 279 E CA 1.888 58.218 56.400 -0.117 0.000 0.811 279 E CB -0.567 29.112 29.700 -0.036 0.000 0.746 279 E HN 0.683 nan 8.360 nan 0.000 0.466 280 T N -1.644 112.667 114.554 -0.405 0.000 3.069 280 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 280 T C 0.487 175.048 174.700 -0.231 0.000 1.053 280 T CA -0.367 61.516 62.100 -0.361 0.000 0.964 280 T CB 0.221 68.704 68.868 -0.642 0.000 1.005 280 T HN -0.123 nan 8.240 nan 0.000 0.532 281 K N -0.236 120.049 120.400 -0.193 0.000 3.071 281 K HA -0.157 4.163 4.320 -0.000 0.000 0.265 281 K C 0.046 176.570 176.600 -0.127 0.000 1.060 281 K CA 0.409 56.620 56.287 -0.126 0.000 0.767 281 K CB -2.963 29.486 32.500 -0.085 0.000 1.241 281 K HN 0.629 nan 8.250 nan 0.000 0.486 282 C N 3.070 122.267 119.300 -0.171 0.000 2.416 282 C HA 0.196 4.656 4.460 -0.000 0.000 0.355 282 C C 1.106 176.041 174.990 -0.092 0.000 1.211 282 C CA -0.076 58.861 59.018 -0.136 0.000 1.699 282 C CB -0.516 27.120 27.740 -0.175 0.000 2.310 282 C HN 0.479 nan 8.230 nan 0.000 0.539 283 D N 2.765 123.127 120.400 -0.064 0.000 2.463 283 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 283 D C -0.186 176.094 176.300 -0.032 0.000 1.174 283 D CA 0.059 54.033 54.000 -0.044 0.000 0.829 283 D CB -0.150 40.630 40.800 -0.034 0.000 0.993 283 D HN 0.555 nan 8.370 nan 0.000 0.497 284 D N 0.648 121.027 120.400 -0.035 0.000 2.440 284 D HA 0.108 4.748 4.640 -0.000 0.000 0.239 284 D C 1.305 177.591 176.300 -0.024 0.000 1.084 284 D CA -0.669 53.317 54.000 -0.023 0.000 0.843 284 D CB 2.243 43.031 40.800 -0.020 0.000 1.097 284 D HN -0.223 nan 8.370 nan 0.000 0.531 285 V N 4.482 124.384 119.914 -0.019 0.000 2.407 285 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 285 V C 2.483 178.570 176.094 -0.011 0.000 1.055 285 V CA 1.310 63.598 62.300 -0.020 0.000 1.049 285 V CB -0.396 31.417 31.823 -0.016 0.000 0.662 285 V HN 0.631 nan 8.190 nan 0.000 0.455 286 L N -0.851 120.368 121.223 -0.006 0.000 2.109 286 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 286 L C 2.436 179.307 176.870 0.001 0.000 1.086 286 L CA 1.140 55.980 54.840 -0.000 0.000 0.760 286 L CB -0.514 41.545 42.059 -0.001 0.000 0.910 286 L HN 0.360 nan 8.230 nan 0.000 0.437 287 L N -0.112 121.108 121.223 -0.004 0.000 2.083 287 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 287 L C 2.272 179.144 176.870 0.004 0.000 1.083 287 L CA 1.552 56.391 54.840 -0.003 0.000 0.752 287 L CB -0.486 41.568 42.059 -0.008 0.000 0.899 287 L HN 0.124 nan 8.230 nan 0.000 0.433 288 L N -0.845 120.377 121.223 -0.001 0.000 2.027 288 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 288 L C 2.311 179.180 176.870 -0.001 0.000 1.074 288 L CA 1.920 56.767 54.840 0.010 0.000 0.745 288 L CB -0.997 41.041 42.059 -0.035 0.000 0.898 288 L HN 0.410 nan 8.230 nan 0.000 0.433 289 L N 0.011 121.240 121.223 0.011 0.000 2.012 289 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 289 L C 2.316 179.224 176.870 0.064 0.000 1.073 289 L CA 2.274 57.160 54.840 0.076 0.000 0.748 289 L CB -1.553 40.554 42.059 0.081 0.000 0.891 289 L HN 0.305 nan 8.230 nan 0.000 0.431 290 G N -1.008 107.803 108.800 0.018 0.000 2.408 290 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 290 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 290 G C 1.459 176.307 174.900 -0.087 0.000 1.150 290 G CA 0.928 46.022 45.100 -0.011 0.000 0.776 290 G HN 0.308 nan 8.290 nan 0.000 0.542 291 M N -0.603 118.935 119.600 -0.104 0.000 2.099 291 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 291 M C 2.305 178.205 176.300 -0.666 0.000 1.067 291 M CA 0.771 55.921 55.300 -0.251 0.000 1.124 291 M CB -1.203 31.383 32.600 -0.023 0.000 1.353 291 M HN 0.307 nan 8.290 nan 0.000 0.410 292 Y N 0.939 120.864 120.300 -0.624 0.000 2.224 292 Y HA -0.143 4.407 4.550 -0.000 0.000 0.289 292 Y C 2.246 177.845 175.900 -0.501 0.000 1.146 292 Y CA 1.451 59.097 58.100 -0.755 0.000 1.182 292 Y CB -0.444 37.602 38.460 -0.690 0.000 0.983 292 Y HN 0.110 nan 8.280 nan 0.000 0.524 293 L N -0.201 120.949 121.223 -0.122 0.000 2.261 293 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 293 L C 1.853 178.624 176.870 -0.166 0.000 1.114 293 L CA 1.398 56.219 54.840 -0.031 0.000 0.777 293 L CB -0.428 41.667 42.059 0.060 0.000 0.910 293 L HN 0.305 nan 8.230 nan 0.000 0.440 294 E N -0.607 119.419 120.200 -0.290 0.000 2.427 294 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 294 E C 1.403 177.918 176.600 -0.142 0.000 1.028 294 E CA 0.555 56.876 56.400 -0.133 0.000 0.864 294 E CB 0.093 29.697 29.700 -0.160 0.000 0.813 294 E HN 0.428 nan 8.360 nan 0.000 0.514 295 F N 1.308 121.081 119.950 -0.295 0.000 2.776 295 F HA 0.034 4.561 4.527 -0.000 0.000 0.300 295 F C 2.363 178.183 175.800 0.034 0.000 1.116 295 F CA 0.195 57.991 58.000 -0.341 0.000 1.375 295 F CB -0.418 38.312 39.000 -0.449 0.000 1.109 295 F HN 0.045 nan 8.300 nan 0.000 0.585 296 Q N -0.237 119.570 119.800 0.011 0.000 2.224 296 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 296 Q C -0.093 175.957 176.000 0.084 0.000 0.970 296 Q CA 1.111 56.868 55.803 -0.076 0.000 0.865 296 Q CB -0.600 27.930 28.738 -0.347 0.000 0.922 296 Q HN 0.287 nan 8.270 nan 0.000 0.445 297 Y N 2.476 123.034 120.300 0.430 0.000 2.300 297 Y HA 0.150 4.700 4.550 -0.000 0.000 0.328 297 Y C 0.851 177.040 175.900 0.481 0.000 1.270 297 Y CA -0.771 57.576 58.100 0.412 0.000 1.352 297 Y CB 0.669 39.293 38.460 0.273 0.000 1.286 297 Y HN 0.102 nan 8.280 nan 0.000 0.536 298 S N 1.432 117.357 115.700 0.374 0.000 2.552 298 S HA -0.102 4.368 4.470 -0.000 0.000 0.289 298 S C 0.563 175.027 174.600 -0.228 0.000 1.304 298 S CA -0.523 57.586 58.200 -0.151 0.000 1.063 298 S CB -0.016 63.145 63.200 -0.065 0.000 0.848 298 S HN 0.681 nan 8.310 nan 0.000 0.499 299 F N 2.418 121.883 119.950 -0.808 0.000 2.367 299 F HA 0.130 4.657 4.527 -0.000 0.000 0.298 299 F C 1.967 177.548 175.800 -0.365 0.000 1.094 299 F CA 0.917 58.433 58.000 -0.806 0.000 1.409 299 F CB -0.341 38.135 39.000 -0.873 0.000 1.064 299 F HN 0.659 nan 8.300 nan 0.000 0.528 300 E N 0.461 120.307 120.200 -0.589 0.000 2.150 300 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 300 E C 1.084 177.465 176.600 -0.365 0.000 0.985 300 E CA 1.149 57.239 56.400 -0.516 0.000 0.814 300 E CB -0.280 29.259 29.700 -0.269 0.000 0.752 300 E HN 0.481 nan 8.360 nan 0.000 0.466 301 M N 0.227 119.684 119.600 -0.238 0.000 3.043 301 M HA 0.176 4.656 4.480 -0.000 0.000 0.309 301 M C -0.541 175.720 176.300 -0.065 0.000 1.202 301 M CA -0.339 54.882 55.300 -0.132 0.000 0.869 301 M CB 1.143 33.701 32.600 -0.071 0.000 1.327 301 M HN -0.127 nan 8.290 nan 0.000 0.524 302 C N 1.505 120.757 119.300 -0.080 0.000 2.239 302 C HA 0.303 4.763 4.460 -0.000 0.000 0.325 302 C C 1.663 176.691 174.990 0.065 0.000 1.231 302 C CA -0.711 58.361 59.018 0.090 0.000 1.652 302 C CB -0.262 27.665 27.740 0.311 0.000 2.284 302 C HN 0.824 nan 8.230 nan 0.000 0.499 303 L N 5.995 127.245 121.223 0.045 0.000 2.042 303 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 303 L C 2.441 179.341 176.870 0.051 0.000 1.076 303 L CA 1.982 56.833 54.840 0.019 0.000 0.749 303 L CB -0.451 41.603 42.059 -0.008 0.000 0.893 303 L HN 0.739 nan 8.230 nan 0.000 0.432 304 K N -1.431 119.015 120.400 0.077 0.000 2.097 304 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 304 K C 2.113 178.874 176.600 0.269 0.000 1.049 304 K CA 1.574 57.905 56.287 0.073 0.000 0.933 304 K CB -0.495 31.858 32.500 -0.246 0.000 0.717 304 K HN 0.434 nan 8.250 nan 0.000 0.442 305 C N 0.403 119.937 119.300 0.390 0.000 2.475 305 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 305 C C 2.523 177.584 174.990 0.119 0.000 1.322 305 C CA -0.102 59.156 59.018 0.400 0.000 1.734 305 C CB -0.486 27.557 27.740 0.505 0.000 2.005 305 C HN 0.431 nan 8.230 nan 0.000 0.495 306 I N 1.282 121.876 120.570 0.040 0.000 2.394 306 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 306 I C 2.093 178.186 176.117 -0.040 0.000 1.136 306 I CA 1.730 63.009 61.300 -0.035 0.000 1.425 306 I CB -0.391 37.576 38.000 -0.054 0.000 1.079 306 I HN 0.219 nan 8.210 nan 0.000 0.425 307 K N 0.450 120.845 120.400 -0.008 0.000 2.426 307 K HA 0.046 4.366 4.320 -0.000 0.000 0.193 307 K C 0.064 176.643 176.600 -0.035 0.000 1.028 307 K CA -0.058 56.221 56.287 -0.014 0.000 1.047 307 K CB 0.226 32.733 32.500 0.011 0.000 0.821 307 K HN 0.065 nan 8.250 nan 0.000 0.513 308 K N 1.102 121.448 120.400 -0.090 0.000 3.148 308 K HA -0.223 4.097 4.320 -0.000 0.000 0.267 308 K C 0.152 176.823 176.600 0.118 0.000 0.996 308 K CA 0.758 56.867 56.287 -0.298 0.000 0.737 308 K CB -1.622 30.592 32.500 -0.477 0.000 1.308 308 K HN 0.494 nan 8.250 nan 0.000 0.470 309 E N 0.322 120.665 120.200 0.238 0.000 2.028 309 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 309 E C 0.244 177.018 176.600 0.290 0.000 0.984 309 E CA 0.893 57.420 56.400 0.212 0.000 0.800 309 E CB 0.134 29.909 29.700 0.124 0.000 0.758 309 E HN 0.310 nan 8.360 nan 0.000 0.448 310 Q N -0.367 119.661 119.800 0.381 0.000 2.290 310 Q HA 0.194 4.534 4.340 -0.000 0.000 0.269 310 Q C -2.229 173.767 176.000 -0.006 0.000 1.016 310 Q CA -1.904 54.035 55.803 0.226 0.000 0.754 310 Q CB 1.782 30.625 28.738 0.174 0.000 1.247 310 Q HN -0.063 nan 8.270 nan 0.000 0.451 311 P HA -0.208 nan 4.420 nan 0.000 0.216 311 P C 1.313 178.464 177.300 -0.248 0.000 1.153 311 P CA 1.700 64.326 63.100 -0.790 0.000 0.858 311 P CB 0.266 31.790 31.700 -0.295 0.000 0.789 312 S N -2.472 113.257 115.700 0.048 0.000 2.500 312 S HA -0.206 4.264 4.470 -0.000 0.000 0.239 312 S C 1.810 176.704 174.600 0.490 0.000 0.989 312 S CA 1.295 59.655 58.200 0.265 0.000 0.951 312 S CB -1.128 62.156 63.200 0.141 0.000 0.759 312 S HN 0.292 nan 8.310 nan 0.000 0.523 313 H N 0.948 120.188 119.070 0.282 0.000 2.332 313 H HA 0.128 4.684 4.556 -0.000 0.000 0.316 313 H C 1.900 177.502 175.328 0.455 0.000 1.069 313 H CA 0.857 57.179 56.048 0.457 0.000 1.484 313 H CB -0.708 29.248 29.762 0.324 0.000 1.496 313 H HN 0.413 nan 8.280 nan 0.000 0.623 314 Y N 0.298 120.818 120.300 0.366 0.000 2.403 314 Y HA 0.074 4.624 4.550 -0.000 0.000 0.291 314 Y C 1.552 177.480 175.900 0.047 0.000 1.143 314 Y CA 0.711 58.955 58.100 0.241 0.000 1.257 314 Y CB -0.392 38.250 38.460 0.304 0.000 0.984 314 Y HN 0.012 nan 8.280 nan 0.000 0.550 315 K N -0.219 120.117 120.400 -0.105 0.000 2.366 315 K HA -0.005 4.315 4.320 -0.000 0.000 0.198 315 K C 0.452 176.716 176.600 -0.559 0.000 1.044 315 K CA 0.881 56.971 56.287 -0.328 0.000 0.973 315 K CB -0.199 31.947 32.500 -0.591 0.000 0.767 315 K HN 0.563 nan 8.250 nan 0.000 0.475 316 Y N -1.883 118.332 120.300 -0.141 0.000 2.423 316 Y HA 0.139 4.689 4.550 -0.000 0.000 0.257 316 Y C 2.052 177.514 175.900 -0.730 0.000 1.087 316 Y CA -0.353 57.585 58.100 -0.270 0.000 1.258 316 Y CB -0.170 38.249 38.460 -0.069 0.000 1.237 316 Y HN 0.192 nan 8.280 nan 0.000 0.517 317 H N 1.197 119.744 119.070 -0.872 0.000 2.265 317 H HA -0.266 4.290 4.556 -0.000 0.000 0.293 317 H C 2.228 177.169 175.328 -0.645 0.000 1.089 317 H CA 2.029 57.506 56.048 -0.951 0.000 1.244 317 H CB 0.205 29.768 29.762 -0.331 0.000 1.355 317 H HN 0.454 nan 8.280 nan 0.000 0.485 318 E N 0.513 120.211 120.200 -0.836 0.000 2.058 318 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 318 E C 2.388 178.731 176.600 -0.428 0.000 0.997 318 E CA 1.457 57.297 56.400 -0.934 0.000 0.801 318 E CB -0.067 28.747 29.700 -1.475 0.000 0.746 318 E HN 0.385 nan 8.360 nan 0.000 0.450 319 K N -0.526 119.629 120.400 -0.408 0.000 2.097 319 K HA -0.166 4.153 4.320 -0.000 0.000 0.206 319 K C 1.680 178.020 176.600 -0.434 0.000 1.049 319 K CA 1.464 57.536 56.287 -0.358 0.000 0.933 319 K CB -0.047 32.246 32.500 -0.345 0.000 0.717 319 K HN 0.353 nan 8.250 nan 0.000 0.442 320 H N -1.463 117.437 119.070 -0.283 0.000 2.551 320 H HA -0.046 4.510 4.556 -0.000 0.000 0.271 320 H C 1.301 176.541 175.328 -0.146 0.000 0.984 320 H CA 0.218 56.114 56.048 -0.253 0.000 1.164 320 H CB 0.206 29.656 29.762 -0.519 0.000 1.437 320 H HN 0.273 nan 8.280 nan 0.000 0.550 321 Y N 2.518 122.755 120.300 -0.104 0.000 2.069 321 Y HA -0.326 4.224 4.550 -0.000 0.000 0.278 321 Y C 2.544 178.464 175.900 0.033 0.000 1.175 321 Y CA 1.788 59.907 58.100 0.032 0.000 1.134 321 Y CB -0.522 37.947 38.460 0.015 0.000 0.965 321 Y HN 0.135 nan 8.280 nan 0.000 0.498 322 A N 0.046 122.754 122.820 -0.186 0.000 1.902 322 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 322 A C 2.182 179.690 177.584 -0.128 0.000 1.181 322 A CA 2.046 53.922 52.037 -0.268 0.000 0.623 322 A CB -1.062 17.876 19.000 -0.104 0.000 0.818 322 A HN 0.624 nan 8.150 nan 0.000 0.443 323 N N -0.161 118.534 118.700 -0.008 0.000 2.216 323 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 323 N C 1.685 177.310 175.510 0.191 0.000 1.017 323 N CA 1.518 54.641 53.050 0.122 0.000 0.861 323 N CB -0.314 38.311 38.487 0.230 0.000 0.986 323 N HN 0.344 nan 8.380 nan 0.000 0.428 324 A N 0.342 123.211 122.820 0.081 0.000 1.930 324 A HA 0.104 4.423 4.320 -0.000 0.000 0.217 324 A C 2.314 179.957 177.584 0.099 0.000 1.175 324 A CA 1.648 53.731 52.037 0.077 0.000 0.627 324 A CB -1.132 17.786 19.000 -0.137 0.000 0.815 324 A HN 0.374 nan 8.150 nan 0.000 0.443 325 A N 0.184 122.969 122.820 -0.058 0.000 1.917 325 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 325 A C 2.101 179.676 177.584 -0.015 0.000 1.182 325 A CA 1.737 53.711 52.037 -0.104 0.000 0.633 325 A CB -0.633 18.198 19.000 -0.282 0.000 0.819 325 A HN 0.531 nan 8.150 nan 0.000 0.448 326 I N -2.324 118.265 120.570 0.032 0.000 2.353 326 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 326 I C 2.318 178.503 176.117 0.114 0.000 1.119 326 I CA 1.179 62.518 61.300 0.064 0.000 1.417 326 I CB -0.362 37.689 38.000 0.085 0.000 1.078 326 I HN 0.405 nan 8.210 nan 0.000 0.421 327 F N 2.296 122.268 119.950 0.036 0.000 2.126 327 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 327 F C 2.504 178.304 175.800 -0.001 0.000 1.096 327 F CA 1.356 59.380 58.000 0.040 0.000 1.255 327 F CB -0.319 38.779 39.000 0.164 0.000 0.997 327 F HN 0.010 nan 8.300 nan 0.000 0.479 328 A N -0.537 122.317 122.820 0.056 0.000 2.032 328 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 328 A C 1.846 179.351 177.584 -0.132 0.000 1.165 328 A CA 2.132 54.126 52.037 -0.072 0.000 0.645 328 A CB -0.783 18.188 19.000 -0.049 0.000 0.807 328 A HN 0.508 nan 8.150 nan 0.000 0.453 329 D N -0.847 119.493 120.400 -0.100 0.000 2.360 329 D HA 0.093 4.733 4.640 -0.000 0.000 0.210 329 D C 0.666 176.898 176.300 -0.113 0.000 1.047 329 D CA 0.296 54.244 54.000 -0.086 0.000 0.854 329 D CB 0.171 40.947 40.800 -0.041 0.000 0.936 329 D HN 0.341 nan 8.370 nan 0.000 0.514 330 S N 1.039 116.631 115.700 -0.181 0.000 2.572 330 S HA 0.010 4.480 4.470 -0.000 0.000 0.279 330 S C 1.040 175.519 174.600 -0.201 0.000 1.341 330 S CA -0.239 57.852 58.200 -0.183 0.000 1.043 330 S CB 0.764 63.808 63.200 -0.260 0.000 0.887 330 S HN 0.164 nan 8.310 nan 0.000 0.516 331 K N 2.281 122.608 120.400 -0.121 0.000 2.437 331 K HA 0.297 4.617 4.320 -0.000 0.000 0.205 331 K C -0.131 176.411 176.600 -0.098 0.000 1.026 331 K CA -0.306 55.919 56.287 -0.103 0.000 1.153 331 K CB 0.026 32.495 32.500 -0.052 0.000 0.863 331 K HN 0.400 nan 8.250 nan 0.000 0.502 332 N N 1.613 120.230 118.700 -0.138 0.000 2.451 332 N HA 0.049 4.789 4.740 -0.000 0.000 0.271 332 N C 0.256 175.631 175.510 -0.225 0.000 1.410 332 N CA -0.041 52.939 53.050 -0.117 0.000 0.884 332 N CB 0.890 39.370 38.487 -0.012 0.000 1.332 332 N HN 0.259 nan 8.380 nan 0.000 0.498 333 Q N 0.801 120.412 119.800 -0.316 0.000 2.096 333 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 333 Q C 1.756 177.686 176.000 -0.117 0.000 0.993 333 Q CA 1.823 57.400 55.803 -0.378 0.000 0.862 333 Q CB 0.029 28.454 28.738 -0.521 0.000 0.915 333 Q HN 0.144 nan 8.270 nan 0.000 0.416 334 K N 0.033 120.371 120.400 -0.103 0.000 2.097 334 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 334 K C 2.024 178.575 176.600 -0.081 0.000 1.050 334 K CA 1.633 57.885 56.287 -0.059 0.000 0.938 334 K CB -0.105 32.370 32.500 -0.042 0.000 0.718 334 K HN 0.108 nan 8.250 nan 0.000 0.442 335 T N 0.894 115.385 114.554 -0.105 0.000 2.746 335 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 335 T C 1.761 176.304 174.700 -0.261 0.000 1.039 335 T CA 1.508 63.556 62.100 -0.088 0.000 1.142 335 T CB -0.195 68.676 68.868 0.006 0.000 0.866 335 T HN 0.145 nan 8.240 nan 0.000 0.444 336 I N 0.721 120.955 120.570 -0.560 0.000 2.179 336 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 336 I C 2.617 178.504 176.117 -0.384 0.000 1.088 336 I CA 0.893 61.648 61.300 -0.907 0.000 1.357 336 I CB -0.433 37.032 38.000 -0.892 0.000 1.051 336 I HN 0.312 nan 8.210 nan 0.000 0.409 337 C N -0.006 119.165 119.300 -0.215 0.000 2.425 337 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 337 C C 2.841 177.776 174.990 -0.092 0.000 1.280 337 C CA 0.794 59.724 59.018 -0.146 0.000 1.744 337 C CB -0.898 26.800 27.740 -0.070 0.000 1.989 337 C HN 0.518 nan 8.230 nan 0.000 0.491 338 Q N 1.112 120.873 119.800 -0.066 0.000 2.084 338 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 338 Q C 2.175 178.181 176.000 0.009 0.000 0.978 338 Q CA 1.861 57.652 55.803 -0.019 0.000 0.844 338 Q CB -0.547 28.191 28.738 0.000 0.000 0.898 338 Q HN 0.770 nan 8.270 nan 0.000 0.426 339 Q N -1.167 118.656 119.800 0.038 0.000 2.119 339 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 339 Q C 1.798 177.831 176.000 0.054 0.000 0.972 339 Q CA 1.343 57.207 55.803 0.102 0.000 0.847 339 Q CB -0.256 28.644 28.738 0.270 0.000 0.903 339 Q HN 0.451 nan 8.270 nan 0.000 0.433 340 A N -0.096 122.725 122.820 0.001 0.000 1.930 340 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 340 A C 2.167 179.729 177.584 -0.036 0.000 1.175 340 A CA 1.417 53.436 52.037 -0.030 0.000 0.627 340 A CB -0.604 18.335 19.000 -0.102 0.000 0.815 340 A HN 0.308 nan 8.150 nan 0.000 0.443 341 V N 0.420 120.312 119.914 -0.038 0.000 2.453 341 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 341 V C 2.040 178.124 176.094 -0.016 0.000 1.048 341 V CA 2.136 64.416 62.300 -0.035 0.000 1.049 341 V CB -0.696 31.108 31.823 -0.032 0.000 0.672 341 V HN 0.476 nan 8.190 nan 0.000 0.457 342 D N -0.136 120.264 120.400 -0.000 0.000 2.178 342 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 342 D C 2.258 178.563 176.300 0.007 0.000 0.980 342 D CA 1.715 55.720 54.000 0.009 0.000 0.842 342 D CB -0.277 40.538 40.800 0.025 0.000 0.948 342 D HN 0.377 nan 8.370 nan 0.000 0.472 343 T N 0.158 114.716 114.554 0.008 0.000 2.777 343 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 343 T C 2.215 176.910 174.700 -0.008 0.000 1.040 343 T CA 0.635 62.738 62.100 0.005 0.000 1.141 343 T CB -0.190 68.684 68.868 0.010 0.000 0.868 343 T HN -0.013 nan 8.240 nan 0.000 0.444 344 V N 1.454 121.355 119.914 -0.021 0.000 2.427 344 V HA -0.075 4.045 4.120 -0.000 0.000 0.248 344 V C 2.431 178.511 176.094 -0.023 0.000 1.051 344 V CA 1.347 63.628 62.300 -0.032 0.000 1.048 344 V CB -0.627 31.165 31.823 -0.051 0.000 0.666 344 V HN 0.436 nan 8.190 nan 0.000 0.456 345 L N 0.014 121.227 121.223 -0.016 0.000 2.093 345 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 345 L C 2.731 179.598 176.870 -0.005 0.000 1.085 345 L CA 1.405 56.239 54.840 -0.010 0.000 0.755 345 L CB -0.770 41.287 42.059 -0.005 0.000 0.904 345 L HN 0.349 nan 8.230 nan 0.000 0.435 346 A N 0.363 123.181 122.820 -0.002 0.000 1.902 346 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 346 A C 2.295 179.877 177.584 -0.002 0.000 1.181 346 A CA 2.010 54.047 52.037 0.000 0.000 0.623 346 A CB -0.380 18.623 19.000 0.004 0.000 0.818 346 A HN 0.249 nan 8.150 nan 0.000 0.443 347 K N 0.401 120.797 120.400 -0.006 0.000 2.057 347 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 347 K C 1.829 178.423 176.600 -0.009 0.000 1.049 347 K CA 2.029 58.311 56.287 -0.008 0.000 0.931 347 K CB -0.307 32.186 32.500 -0.012 0.000 0.714 347 K HN 0.465 nan 8.250 nan 0.000 0.440 348 K N -0.270 120.123 120.400 -0.012 0.000 2.097 348 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 348 K C 2.255 178.851 176.600 -0.007 0.000 1.049 348 K CA 1.405 57.685 56.287 -0.012 0.000 0.933 348 K CB -0.166 32.326 32.500 -0.014 0.000 0.717 348 K HN -0.006 nan 8.250 nan 0.000 0.442 349 R N 1.165 121.662 120.500 -0.004 0.000 2.073 349 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 349 R C 1.905 178.203 176.300 -0.002 0.000 1.134 349 R CA 1.342 57.441 56.100 -0.002 0.000 0.952 349 R CB -0.739 29.561 30.300 0.000 0.000 0.850 349 R HN -0.028 nan 8.270 nan 0.000 0.433 350 V N 1.172 121.085 119.914 -0.002 0.000 2.295 350 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 350 V C 1.674 177.766 176.094 -0.003 0.000 1.049 350 V CA 2.318 64.617 62.300 -0.002 0.000 1.024 350 V CB -0.601 31.221 31.823 -0.002 0.000 0.648 350 V HN 0.336 nan 8.190 nan 0.000 0.447 351 D N 0.322 120.719 120.400 -0.005 0.000 2.149 351 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 351 D C 2.429 178.728 176.300 -0.002 0.000 0.990 351 D CA 1.756 55.752 54.000 -0.006 0.000 0.839 351 D CB -0.346 40.448 40.800 -0.011 0.000 0.948 351 D HN 0.592 nan 8.370 nan 0.000 0.460 352 S N -0.282 115.418 115.700 -0.000 0.000 2.399 352 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 352 S C 1.755 176.356 174.600 0.001 0.000 1.022 352 S CA 0.580 58.782 58.200 0.004 0.000 0.983 352 S CB -0.180 63.021 63.200 0.002 0.000 0.803 352 S HN 0.076 nan 8.310 nan 0.000 0.480 353 L N 0.837 122.059 121.223 -0.002 0.000 2.375 353 L HA 0.360 4.700 4.340 -0.000 0.000 0.215 353 L C 2.398 179.267 176.870 -0.002 0.000 1.108 353 L CA 1.296 56.134 54.840 -0.003 0.000 0.830 353 L CB -0.779 41.278 42.059 -0.003 0.000 0.959 353 L HN 0.440 nan 8.230 nan 0.000 0.457 354 Q N -1.801 117.998 119.800 -0.001 0.000 2.322 354 Q HA 0.242 4.582 4.340 -0.000 0.000 0.250 354 Q C 0.284 176.284 176.000 -0.000 0.000 0.853 354 Q CA -0.178 55.624 55.803 -0.001 0.000 0.951 354 Q CB 1.086 29.824 28.738 -0.001 0.000 1.114 354 Q HN 0.279 nan 8.270 nan 0.000 0.523 355 L N 1.769 122.992 121.223 -0.001 0.000 2.456 355 L HA 0.217 4.557 4.340 -0.000 0.000 0.257 355 L C 0.714 177.586 176.870 0.003 0.000 1.162 355 L CA -0.393 54.446 54.840 -0.002 0.000 0.808 355 L CB 0.835 42.889 42.059 -0.008 0.000 1.136 355 L HN 0.110 nan 8.230 nan 0.000 0.466 356 T N -2.057 112.497 114.554 0.001 0.000 2.913 356 T HA 0.254 4.604 4.350 -0.000 0.000 0.287 356 T C 1.138 175.846 174.700 0.015 0.000 1.008 356 T CA -0.725 61.378 62.100 0.006 0.000 1.067 356 T CB 1.246 70.116 68.868 0.003 0.000 0.996 356 T HN 0.497 nan 8.240 nan 0.000 0.513 357 R N 0.456 120.975 120.500 0.032 0.000 2.117 357 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 357 R C 2.274 178.605 176.300 0.052 0.000 1.143 357 R CA 2.015 58.181 56.100 0.111 0.000 0.968 357 R CB -0.435 29.893 30.300 0.047 0.000 0.863 357 R HN 0.863 nan 8.270 nan 0.000 0.444 358 E N 1.059 121.238 120.200 -0.036 0.000 2.110 358 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 358 E C 1.818 178.341 176.600 -0.129 0.000 0.988 358 E CA 1.513 57.848 56.400 -0.108 0.000 0.804 358 E CB 0.045 29.695 29.700 -0.084 0.000 0.745 358 E HN 0.357 nan 8.360 nan 0.000 0.458 359 Q N -0.642 119.110 119.800 -0.079 0.000 2.123 359 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 359 Q C 2.294 178.224 176.000 -0.118 0.000 0.966 359 Q CA 1.492 57.247 55.803 -0.079 0.000 0.845 359 Q CB -0.108 28.605 28.738 -0.040 0.000 0.907 359 Q HN 0.389 nan 8.270 nan 0.000 0.439 360 M N 0.338 119.867 119.600 -0.119 0.000 2.065 360 M HA -0.185 4.295 4.480 -0.000 0.000 0.259 360 M C 2.203 178.289 176.300 -0.357 0.000 1.069 360 M CA 1.190 56.381 55.300 -0.181 0.000 1.110 360 M CB -0.356 32.179 32.600 -0.108 0.000 1.328 360 M HN 0.241 nan 8.290 nan 0.000 0.405 361 L N 0.131 121.061 121.223 -0.488 0.000 2.046 361 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 361 L C 2.123 178.631 176.870 -0.603 0.000 1.077 361 L CA 2.040 56.476 54.840 -0.674 0.000 0.747 361 L CB -1.177 40.480 42.059 -0.669 0.000 0.896 361 L HN 0.335 nan 8.230 nan 0.000 0.432 362 T N 0.588 114.900 114.554 -0.405 0.000 2.708 362 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 362 T C 1.685 176.337 174.700 -0.080 0.000 1.037 362 T CA 1.478 63.435 62.100 -0.237 0.000 1.146 362 T CB -0.194 68.605 68.868 -0.115 0.000 0.865 362 T HN 0.370 nan 8.240 nan 0.000 0.435 363 N N 0.971 119.617 118.700 -0.091 0.000 2.166 363 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 363 N C 1.998 177.501 175.510 -0.012 0.000 1.019 363 N CA 0.929 53.957 53.050 -0.037 0.000 0.856 363 N CB -0.341 38.114 38.487 -0.054 0.000 0.993 363 N HN 0.248 nan 8.380 nan 0.000 0.426 364 R N 0.412 120.876 120.500 -0.060 0.000 2.091 364 R HA -0.039 4.301 4.340 -0.000 0.000 0.238 364 R C 1.795 178.214 176.300 0.198 0.000 1.136 364 R CA 1.176 57.278 56.100 0.002 0.000 0.959 364 R CB -0.616 29.619 30.300 -0.108 0.000 0.856 364 R HN 0.062 nan 8.270 nan 0.000 0.437 365 F N 0.917 120.826 119.950 -0.069 0.000 2.146 365 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 365 F C 2.023 177.810 175.800 -0.022 0.000 1.096 365 F CA 1.007 58.989 58.000 -0.030 0.000 1.275 365 F CB -0.825 38.185 39.000 0.017 0.000 1.008 365 F HN 0.125 nan 8.300 nan 0.000 0.480 366 N N 0.485 119.297 118.700 0.187 0.000 2.223 366 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 366 N C 1.318 176.866 175.510 0.063 0.000 1.016 366 N CA 1.458 54.572 53.050 0.107 0.000 0.863 366 N CB -0.377 38.159 38.487 0.082 0.000 0.983 366 N HN 0.261 nan 8.380 nan 0.000 0.429 367 D N 0.735 121.164 120.400 0.049 0.000 2.123 367 D HA -0.017 4.623 4.640 -0.000 0.000 0.200 367 D C 2.163 178.458 176.300 -0.009 0.000 0.976 367 D CA 0.382 54.392 54.000 0.017 0.000 0.831 367 D CB -0.284 40.520 40.800 0.006 0.000 0.974 367 D HN 0.216 nan 8.370 nan 0.000 0.469 368 L N 0.145 121.354 121.223 -0.023 0.000 2.141 368 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 368 L C 2.364 179.152 176.870 -0.137 0.000 1.094 368 L CA 0.540 55.324 54.840 -0.094 0.000 0.763 368 L CB -0.228 41.748 42.059 -0.139 0.000 0.908 368 L HN 0.055 nan 8.230 nan 0.000 0.437 369 L N -0.660 120.502 121.223 -0.102 0.000 2.141 369 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 369 L C 2.164 179.068 176.870 0.056 0.000 1.094 369 L CA 0.879 55.664 54.840 -0.092 0.000 0.763 369 L CB -0.497 41.559 42.059 -0.005 0.000 0.908 369 L HN 0.294 nan 8.230 nan 0.000 0.437 370 D N -0.145 120.284 120.400 0.049 0.000 2.117 370 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 370 D C 2.199 178.521 176.300 0.037 0.000 0.982 370 D CA 0.961 55.003 54.000 0.070 0.000 0.828 370 D CB -0.091 40.736 40.800 0.046 0.000 0.967 370 D HN 0.196 nan 8.370 nan 0.000 0.464 371 R N 0.119 120.603 120.500 -0.027 0.000 2.120 371 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 371 R C 2.265 178.477 176.300 -0.147 0.000 1.123 371 R CA 0.801 56.851 56.100 -0.083 0.000 0.975 371 R CB -0.025 30.205 30.300 -0.115 0.000 0.866 371 R HN 0.152 nan 8.270 nan 0.000 0.446 372 M N 0.047 119.572 119.600 -0.124 0.000 2.200 372 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 372 M C 1.244 177.716 176.300 0.286 0.000 1.066 372 M CA 1.242 56.474 55.300 -0.112 0.000 1.127 372 M CB 0.032 32.473 32.600 -0.265 0.000 1.379 372 M HN 0.033 nan 8.290 nan 0.000 0.420 373 D N 0.585 121.215 120.400 0.382 0.000 2.263 373 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 373 D C 1.792 178.209 176.300 0.195 0.000 0.971 373 D CA 1.281 55.510 54.000 0.381 0.000 0.867 373 D CB 0.039 41.001 40.800 0.270 0.000 0.929 373 D HN 0.423 nan 8.370 nan 0.000 0.492 374 I N 0.855 121.485 120.570 0.101 0.000 2.512 374 I HA -0.123 4.047 4.170 -0.000 0.000 0.247 374 I C 2.683 178.794 176.117 -0.010 0.000 1.094 374 I CA 0.351 61.691 61.300 0.067 0.000 1.427 374 I CB -0.309 37.731 38.000 0.066 0.000 1.149 374 I HN -0.101 nan 8.210 nan 0.000 0.438 375 M N 0.168 119.658 119.600 -0.183 0.000 2.267 375 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 375 M C 1.017 177.109 176.300 -0.347 0.000 1.063 375 M CA 2.100 57.178 55.300 -0.370 0.000 1.090 375 M CB -0.525 31.638 32.600 -0.727 0.000 1.392 375 M HN 0.052 nan 8.290 nan 0.000 0.422 376 F N 1.195 121.182 119.950 0.061 0.000 2.639 376 F HA 0.530 5.057 4.527 -0.000 0.000 0.302 376 F C 1.502 177.355 175.800 0.088 0.000 1.097 376 F CA -0.667 57.393 58.000 0.101 0.000 1.294 376 F CB -0.529 38.591 39.000 0.200 0.000 1.027 376 F HN 0.116 nan 8.300 nan 0.000 0.550 377 G N -0.130 108.783 108.800 0.190 0.000 2.531 377 G HA2 0.303 4.263 3.960 -0.000 0.000 0.281 377 G HA3 0.303 4.263 3.960 -0.000 0.000 0.281 377 G C 0.982 175.936 174.900 0.090 0.000 1.382 377 G CA 0.205 45.379 45.100 0.122 0.000 1.045 377 G HN 0.156 nan 8.290 nan 0.000 0.533 378 S N -1.676 114.058 115.700 0.056 0.000 2.428 378 S HA -0.143 4.327 4.470 -0.000 0.000 0.230 378 S C 2.049 176.667 174.600 0.031 0.000 1.014 378 S CA 1.938 60.160 58.200 0.036 0.000 0.957 378 S CB -0.588 62.620 63.200 0.014 0.000 0.784 378 S HN 0.889 nan 8.310 nan 0.000 0.499 379 T N -1.201 113.374 114.554 0.034 0.000 3.081 379 T HA 0.372 4.722 4.350 -0.000 0.000 0.250 379 T C 1.004 175.737 174.700 0.056 0.000 1.100 379 T CA 0.169 62.286 62.100 0.027 0.000 1.038 379 T CB -0.443 68.432 68.868 0.013 0.000 0.962 379 T HN 0.437 nan 8.240 nan 0.000 0.516 380 G N 0.954 109.791 108.800 0.061 0.000 2.634 380 G HA2 0.404 4.364 3.960 -0.000 0.000 0.255 380 G HA3 0.404 4.364 3.960 -0.000 0.000 0.255 380 G C 0.623 175.554 174.900 0.052 0.000 1.205 380 G CA -0.056 45.071 45.100 0.045 0.000 0.884 380 G HN 0.481 nan 8.290 nan 0.000 0.549 381 S N -1.372 114.353 115.700 0.042 0.000 2.666 381 S HA 0.569 5.039 4.470 -0.000 0.000 0.239 381 S C 0.692 175.355 174.600 0.105 0.000 1.031 381 S CA 0.356 58.597 58.200 0.068 0.000 1.015 381 S CB 0.454 63.691 63.200 0.061 0.000 0.981 381 S HN 1.043 nan 8.310 nan 0.000 0.547 382 A N 1.455 124.335 122.820 0.099 0.000 2.303 382 A HA 0.678 4.998 4.320 -0.000 0.000 0.317 382 A C -0.736 177.074 177.584 0.376 0.000 1.149 382 A CA -0.454 51.718 52.037 0.224 0.000 0.822 382 A CB 0.716 19.701 19.000 -0.025 0.000 1.131 382 A HN 0.310 nan 8.150 nan 0.000 0.493 383 D N 1.683 122.383 120.400 0.499 0.000 2.412 383 D HA 0.292 4.932 4.640 -0.000 0.000 0.224 383 D C 0.813 177.470 176.300 0.596 0.000 1.093 383 D CA -0.502 53.753 54.000 0.425 0.000 0.850 383 D CB 0.537 41.468 40.800 0.218 0.000 1.046 383 D HN 0.290 nan 8.370 nan 0.000 0.507 384 I N 3.707 124.540 120.570 0.439 0.000 2.300 384 I HA -0.255 3.915 4.170 -0.000 0.000 0.252 384 I C 1.577 177.880 176.117 0.309 0.000 1.119 384 I CA 1.784 63.118 61.300 0.058 0.000 1.384 384 I CB -0.045 37.890 38.000 -0.108 0.000 1.062 384 I HN 0.563 nan 8.210 nan 0.000 0.426 385 E N 0.022 120.462 120.200 0.400 0.000 2.077 385 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 385 E C 2.074 178.819 176.600 0.242 0.000 0.989 385 E CA 1.615 58.292 56.400 0.462 0.000 0.800 385 E CB -0.239 29.598 29.700 0.228 0.000 0.746 385 E HN 0.641 nan 8.360 nan 0.000 0.452 386 E N -0.174 120.104 120.200 0.130 0.000 2.150 386 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 386 E C 1.743 178.439 176.600 0.159 0.000 0.985 386 E CA 0.830 57.220 56.400 -0.017 0.000 0.814 386 E CB -0.110 29.410 29.700 -0.300 0.000 0.752 386 E HN 0.367 nan 8.360 nan 0.000 0.466 387 W N 0.261 121.665 121.300 0.174 0.000 2.436 387 W HA -0.055 4.605 4.660 -0.000 0.000 0.284 387 W C 2.247 178.781 176.519 0.025 0.000 1.225 387 W CA 0.359 57.798 57.345 0.156 0.000 1.271 387 W CB -0.197 29.409 29.460 0.243 0.000 1.114 387 W HN 0.090 nan 8.180 nan 0.000 0.559 388 M N 0.545 120.190 119.600 0.076 0.000 2.319 388 M HA 0.054 4.533 4.480 -0.000 0.000 0.265 388 M C 2.038 178.323 176.300 -0.025 0.000 1.068 388 M CA 1.687 56.864 55.300 -0.205 0.000 1.118 388 M CB -0.786 31.300 32.600 -0.856 0.000 1.395 388 M HN -0.039 nan 8.290 nan 0.000 0.435 389 A N -0.856 122.022 122.820 0.097 0.000 2.015 389 A HA 0.102 4.422 4.320 -0.000 0.000 0.219 389 A C 2.272 179.960 177.584 0.174 0.000 1.163 389 A CA 1.509 53.646 52.037 0.167 0.000 0.646 389 A CB -1.505 17.689 19.000 0.324 0.000 0.806 389 A HN 0.554 nan 8.150 nan 0.000 0.448 390 G N -0.558 108.331 108.800 0.148 0.000 2.403 390 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 390 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 390 G C 1.461 176.500 174.900 0.232 0.000 1.154 390 G CA 1.110 46.287 45.100 0.129 0.000 0.784 390 G HN 0.288 nan 8.290 nan 0.000 0.538 391 V N 1.612 121.649 119.914 0.205 0.000 2.343 391 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 391 V C 3.311 179.593 176.094 0.313 0.000 1.051 391 V CA 1.981 64.428 62.300 0.245 0.000 1.036 391 V CB -0.825 31.087 31.823 0.149 0.000 0.654 391 V HN 0.467 nan 8.190 nan 0.000 0.451 392 A N -0.961 121.997 122.820 0.229 0.000 1.877 392 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 392 A C 1.972 179.669 177.584 0.189 0.000 1.186 392 A CA 2.029 54.123 52.037 0.095 0.000 0.620 392 A CB -0.938 17.986 19.000 -0.126 0.000 0.822 392 A HN 0.713 nan 8.150 nan 0.000 0.443 393 W N 0.425 121.757 121.300 0.054 0.000 2.355 393 W HA -0.123 4.537 4.660 -0.000 0.000 0.309 393 W C 1.822 178.393 176.519 0.086 0.000 1.206 393 W CA 1.846 59.223 57.345 0.054 0.000 1.284 393 W CB -0.268 29.195 29.460 0.004 0.000 1.145 393 W HN 0.250 nan 8.180 nan 0.000 0.502 394 L N -0.592 120.867 121.223 0.392 0.000 2.131 394 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 394 L C 2.255 179.185 176.870 0.101 0.000 1.092 394 L CA 1.562 56.554 54.840 0.252 0.000 0.759 394 L CB -0.881 41.376 42.059 0.329 0.000 0.903 394 L HN 0.036 nan 8.230 nan 0.000 0.435 395 H N -1.642 117.475 119.070 0.078 0.000 2.559 395 H HA -0.052 4.504 4.556 -0.000 0.000 0.273 395 H C 1.788 177.094 175.328 -0.036 0.000 1.000 395 H CA 0.708 56.785 56.048 0.048 0.000 1.195 395 H CB 0.074 29.955 29.762 0.198 0.000 1.368 395 H HN 0.300 nan 8.280 nan 0.000 0.592 396 C N -0.741 118.481 119.300 -0.130 0.000 2.906 396 C HA 0.177 4.637 4.460 -0.000 0.000 0.274 396 C C 2.372 177.190 174.990 -0.287 0.000 1.257 396 C CA -0.374 58.534 59.018 -0.184 0.000 1.695 396 C CB -0.813 26.855 27.740 -0.121 0.000 1.958 396 C HN 0.516 nan 8.230 nan 0.000 0.619 397 L N 0.347 121.342 121.223 -0.380 0.000 2.109 397 L HA 0.247 4.587 4.340 -0.000 0.000 0.207 397 L C 0.391 177.062 176.870 -0.331 0.000 1.086 397 L CA 2.048 56.647 54.840 -0.402 0.000 0.760 397 L CB 0.013 41.883 42.059 -0.315 0.000 0.910 397 L HN 0.232 nan 8.230 nan 0.000 0.437 398 L N -1.555 119.475 121.223 -0.323 0.000 2.469 398 L HA 0.434 4.774 4.340 -0.000 0.000 0.256 398 L C -2.414 174.274 176.870 -0.303 0.000 1.006 398 L CA -1.970 52.657 54.840 -0.354 0.000 0.832 398 L CB 1.700 43.493 42.059 -0.445 0.000 1.421 398 L HN -0.273 nan 8.230 nan 0.000 0.410 399 P HA 0.124 nan 4.420 nan 0.000 0.271 399 P C -0.966 176.216 177.300 -0.196 0.000 1.220 399 P CA -0.165 62.812 63.100 -0.205 0.000 0.768 399 P CB 0.326 31.936 31.700 -0.150 0.000 0.848 400 K N 1.246 121.521 120.400 -0.208 0.000 3.278 400 K HA -0.247 4.073 4.320 -0.000 0.000 0.270 400 K C 0.835 177.362 176.600 -0.121 0.000 0.955 400 K CA -0.004 56.205 56.287 -0.130 0.000 0.723 400 K CB -1.227 31.250 32.500 -0.038 0.000 1.382 400 K HN 0.377 nan 8.250 nan 0.000 0.461 401 M N 1.986 121.435 119.600 -0.252 0.000 2.106 401 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 401 M C 1.826 178.149 176.300 0.040 0.000 1.068 401 M CA 2.494 57.727 55.300 -0.112 0.000 1.100 401 M CB -0.207 32.315 32.600 -0.131 0.000 1.351 401 M HN 0.434 nan 8.290 nan 0.000 0.404 402 D N -1.899 118.529 120.400 0.047 0.000 2.263 402 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 402 D C 1.478 177.865 176.300 0.144 0.000 0.971 402 D CA 1.543 55.577 54.000 0.056 0.000 0.867 402 D CB -0.434 40.259 40.800 -0.179 0.000 0.929 402 D HN 0.423 nan 8.370 nan 0.000 0.492 403 S N -0.156 115.622 115.700 0.131 0.000 2.425 403 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 403 S C 2.274 177.040 174.600 0.276 0.000 1.024 403 S CA 0.088 58.414 58.200 0.209 0.000 0.951 403 S CB 0.210 63.498 63.200 0.148 0.000 0.796 403 S HN 0.151 nan 8.310 nan 0.000 0.498 404 V N 1.669 121.717 119.914 0.223 0.000 2.295 404 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 404 V C 2.308 178.635 176.094 0.388 0.000 1.049 404 V CA 1.573 64.070 62.300 0.328 0.000 1.024 404 V CB -0.720 31.218 31.823 0.191 0.000 0.648 404 V HN 0.325 nan 8.190 nan 0.000 0.447 405 V N -0.990 119.090 119.914 0.276 0.000 2.261 405 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 405 V C 2.215 178.472 176.094 0.271 0.000 1.047 405 V CA 2.498 64.956 62.300 0.263 0.000 1.015 405 V CB -0.854 31.106 31.823 0.228 0.000 0.642 405 V HN 0.619 nan 8.190 nan 0.000 0.446 406 Y N 1.744 122.140 120.300 0.161 0.000 2.114 406 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 406 Y C 2.343 178.315 175.900 0.120 0.000 1.165 406 Y CA 2.176 60.339 58.100 0.106 0.000 1.148 406 Y CB -0.523 37.982 38.460 0.075 0.000 0.972 406 Y HN 0.358 nan 8.280 nan 0.000 0.504 407 D N -0.561 119.934 120.400 0.157 0.000 2.144 407 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 407 D C 2.008 178.347 176.300 0.065 0.000 0.984 407 D CA 1.400 55.493 54.000 0.156 0.000 0.834 407 D CB -0.842 40.232 40.800 0.457 0.000 0.955 407 D HN 0.431 nan 8.370 nan 0.000 0.465 408 F N 1.395 121.221 119.950 -0.207 0.000 2.102 408 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 408 F C 2.043 177.563 175.800 -0.467 0.000 1.105 408 F CA 1.135 58.668 58.000 -0.778 0.000 1.239 408 F CB -0.334 38.195 39.000 -0.785 0.000 0.991 408 F HN -0.111 nan 8.300 nan 0.000 0.474 409 L N 0.107 121.140 121.223 -0.316 0.000 2.012 409 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 409 L C 2.565 179.128 176.870 -0.512 0.000 1.073 409 L CA 1.375 55.994 54.840 -0.369 0.000 0.748 409 L CB -0.841 41.106 42.059 -0.185 0.000 0.891 409 L HN 0.057 nan 8.230 nan 0.000 0.431 410 K N -0.404 119.662 120.400 -0.557 0.000 2.057 410 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 410 K C 2.195 178.502 176.600 -0.489 0.000 1.049 410 K CA 1.511 57.428 56.287 -0.616 0.000 0.931 410 K CB -1.432 30.824 32.500 -0.408 0.000 0.714 410 K HN 0.371 nan 8.250 nan 0.000 0.440 411 C N 1.227 120.334 119.300 -0.322 0.000 2.413 411 C HA -0.097 4.363 4.460 -0.000 0.000 0.276 411 C C 2.637 177.386 174.990 -0.402 0.000 1.236 411 C CA 0.760 59.646 59.018 -0.220 0.000 1.735 411 C CB -0.663 26.959 27.740 -0.196 0.000 2.031 411 C HN 0.386 nan 8.230 nan 0.000 0.474 412 M N 0.338 119.529 119.600 -0.681 0.000 2.117 412 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 412 M C 2.142 178.138 176.300 -0.508 0.000 1.065 412 M CA 1.434 56.327 55.300 -0.677 0.000 1.114 412 M CB -1.517 30.637 32.600 -0.743 0.000 1.361 412 M HN 0.325 nan 8.290 nan 0.000 0.408 413 V N -0.761 118.908 119.914 -0.409 0.000 2.307 413 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 413 V C 2.240 178.171 176.094 -0.272 0.000 1.045 413 V CA 1.578 63.687 62.300 -0.318 0.000 1.024 413 V CB -0.939 30.625 31.823 -0.432 0.000 0.651 413 V HN 0.252 nan 8.190 nan 0.000 0.449 414 Y N -0.106 120.104 120.300 -0.149 0.000 2.274 414 Y HA -0.063 4.487 4.550 -0.000 0.000 0.290 414 Y C 1.672 177.500 175.900 -0.120 0.000 1.145 414 Y CA 0.494 58.528 58.100 -0.109 0.000 1.203 414 Y CB -1.161 37.249 38.460 -0.083 0.000 0.984 414 Y HN 0.432 nan 8.280 nan 0.000 0.533 415 N N 0.545 119.220 118.700 -0.040 0.000 2.716 415 N HA -0.239 4.501 4.740 -0.000 0.000 0.250 415 N C -0.865 174.635 175.510 -0.016 0.000 1.033 415 N CA -0.189 52.804 53.050 -0.095 0.000 0.727 415 N CB -1.043 37.351 38.487 -0.156 0.000 0.950 415 N HN 0.256 nan 8.380 nan 0.000 0.541 416 I N 0.990 121.578 120.570 0.031 0.000 2.533 416 I HA 0.133 4.303 4.170 -0.000 0.000 0.284 416 I C -1.785 174.354 176.117 0.037 0.000 1.109 416 I CA -1.577 59.742 61.300 0.032 0.000 1.412 416 I CB 0.521 38.542 38.000 0.035 0.000 1.396 416 I HN 0.040 nan 8.210 nan 0.000 0.543 417 P HA -0.063 nan 4.420 nan 0.000 0.263 417 P C -0.073 177.258 177.300 0.052 0.000 1.175 417 P CA 0.400 63.523 63.100 0.038 0.000 0.761 417 P CB 0.299 32.011 31.700 0.021 0.000 0.794 418 K N 0.410 120.851 120.400 0.069 0.000 3.584 418 K HA -0.232 4.088 4.320 -0.000 0.000 0.300 418 K C 0.007 176.671 176.600 0.108 0.000 1.285 418 K CA 1.433 57.764 56.287 0.072 0.000 1.008 418 K CB -1.207 31.320 32.500 0.045 0.000 1.271 418 K HN 0.527 nan 8.250 nan 0.000 0.447 419 K N 0.276 120.748 120.400 0.119 0.000 3.084 419 K HA 0.261 4.581 4.320 -0.000 0.000 0.210 419 K C 0.407 177.109 176.600 0.171 0.000 1.137 419 K CA -0.276 56.106 56.287 0.159 0.000 1.010 419 K CB 0.750 33.327 32.500 0.128 0.000 0.806 419 K HN 0.064 nan 8.250 nan 0.000 0.460 420 R N -0.488 120.121 120.500 0.181 0.000 2.373 420 R HA 0.186 4.526 4.340 -0.000 0.000 0.221 420 R C -0.422 175.864 176.300 -0.025 0.000 0.893 420 R CA 0.224 56.352 56.100 0.047 0.000 1.049 420 R CB 0.516 30.830 30.300 0.022 0.000 1.119 420 R HN 0.077 nan 8.270 nan 0.000 0.535 421 Y N -0.915 119.575 120.300 0.316 0.000 2.364 421 Y HA 0.330 4.880 4.550 -0.000 0.000 0.340 421 Y C -0.692 175.719 175.900 0.852 0.000 0.975 421 Y CA -1.112 57.278 58.100 0.484 0.000 1.089 421 Y CB 1.217 39.864 38.460 0.311 0.000 1.192 421 Y HN -0.122 nan 8.280 nan 0.000 0.454 422 W N 4.779 126.411 121.300 0.554 0.000 2.573 422 W HA 0.556 5.216 4.660 -0.000 0.000 0.326 422 W C -0.966 175.763 176.519 0.351 0.000 1.049 422 W CA -1.346 56.286 57.345 0.477 0.000 1.220 422 W CB 1.287 31.022 29.460 0.457 0.000 1.373 422 W HN 0.268 nan 8.180 nan 0.000 0.507 423 L N 4.483 125.861 121.223 0.258 0.000 2.272 423 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 423 L C -1.192 175.886 176.870 0.347 0.000 1.032 423 L CA -0.713 54.041 54.840 -0.144 0.000 0.810 423 L CB 0.445 41.994 42.059 -0.850 0.000 1.205 423 L HN 0.108 nan 8.230 nan 0.000 0.422 424 F N 5.022 125.006 119.950 0.057 0.000 2.371 424 F HA 0.463 4.990 4.527 -0.000 0.000 0.363 424 F C 0.276 176.085 175.800 0.014 0.000 1.122 424 F CA -0.766 57.305 58.000 0.118 0.000 1.129 424 F CB 1.018 39.992 39.000 -0.043 0.000 1.173 424 F HN 0.362 nan 8.300 nan 0.000 0.489 425 K N 1.643 122.188 120.400 0.243 0.000 2.426 425 K HA 0.825 5.145 4.320 -0.000 0.000 0.251 425 K C -0.415 176.278 176.600 0.155 0.000 0.941 425 K CA -0.666 55.702 56.287 0.136 0.000 0.808 425 K CB 2.467 35.013 32.500 0.077 0.000 1.265 425 K HN 0.796 nan 8.250 nan 0.000 0.432 426 G N 2.292 111.149 108.800 0.095 0.000 2.336 426 G HA2 0.130 4.090 3.960 -0.000 0.000 0.300 426 G HA3 0.130 4.090 3.960 -0.000 0.000 0.300 426 G C -3.292 171.636 174.900 0.046 0.000 1.375 426 G CA -1.054 44.097 45.100 0.084 0.000 0.885 426 G HN 0.367 nan 8.290 nan 0.000 0.599 427 P HA 0.311 nan 4.420 nan 0.000 0.271 427 P C 0.550 177.856 177.300 0.011 0.000 1.244 427 P CA -0.512 62.593 63.100 0.009 0.000 0.793 427 P CB 0.440 32.139 31.700 -0.000 0.000 0.984 428 I N 1.261 121.834 120.570 0.004 0.000 2.752 428 I HA -0.076 4.094 4.170 -0.000 0.000 0.287 428 I C 0.605 176.725 176.117 0.005 0.000 1.188 428 I CA 0.997 62.300 61.300 0.006 0.000 1.427 428 I CB -0.829 37.174 38.000 0.004 0.000 1.365 428 I HN 0.582 nan 8.210 nan 0.000 0.585 429 D N 3.198 123.602 120.400 0.006 0.000 2.746 429 D HA -0.144 4.496 4.640 -0.000 0.000 0.236 429 D C 0.936 177.257 176.300 0.035 0.000 1.129 429 D CA 1.209 55.219 54.000 0.017 0.000 0.691 429 D CB -1.072 39.733 40.800 0.009 0.000 1.077 429 D HN 0.745 nan 8.370 nan 0.000 0.432 430 S N -2.133 113.590 115.700 0.038 0.000 2.540 430 S HA 0.478 4.948 4.470 -0.000 0.000 0.222 430 S C 1.615 176.315 174.600 0.166 0.000 1.008 430 S CA 0.637 58.889 58.200 0.085 0.000 0.939 430 S CB 1.626 64.891 63.200 0.107 0.000 0.865 430 S HN 0.917 nan 8.310 nan 0.000 0.499 431 G N 1.804 110.652 108.800 0.081 0.000 2.205 431 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.180 431 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.180 431 G C 0.804 175.574 174.900 -0.217 0.000 1.004 431 G CA 0.137 45.312 45.100 0.125 0.000 0.670 431 G HN 0.407 nan 8.290 nan 0.000 0.496 432 K N 0.044 120.065 120.400 -0.631 0.000 2.020 432 K HA -0.099 4.221 4.320 -0.000 0.000 0.212 432 K C 2.446 178.945 176.600 -0.169 0.000 1.050 432 K CA 2.012 57.825 56.287 -0.789 0.000 0.929 432 K CB -0.431 31.775 32.500 -0.489 0.000 0.714 432 K HN 0.308 nan 8.250 nan 0.000 0.443 433 T N 0.749 115.258 114.554 -0.076 0.000 2.904 433 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 433 T C 1.924 176.648 174.700 0.041 0.000 1.059 433 T CA 1.521 63.624 62.100 0.005 0.000 1.137 433 T CB -0.269 68.600 68.868 0.002 0.000 0.879 433 T HN 0.289 nan 8.240 nan 0.000 0.467 434 T N 2.483 117.067 114.554 0.050 0.000 2.684 434 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 434 T C 1.848 176.630 174.700 0.137 0.000 1.036 434 T CA 0.935 63.091 62.100 0.094 0.000 1.148 434 T CB -0.434 68.524 68.868 0.151 0.000 0.863 434 T HN 0.111 nan 8.240 nan 0.000 0.436 435 L N 1.235 122.565 121.223 0.178 0.000 2.056 435 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 435 L C 2.608 179.625 176.870 0.244 0.000 1.078 435 L CA 1.732 56.719 54.840 0.246 0.000 0.749 435 L CB -1.114 41.142 42.059 0.328 0.000 0.901 435 L HN 0.222 nan 8.230 nan 0.000 0.433 436 A N -0.553 122.419 122.820 0.253 0.000 1.933 436 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 436 A C 2.433 180.042 177.584 0.042 0.000 1.175 436 A CA 1.723 53.810 52.037 0.083 0.000 0.628 436 A CB -1.077 17.917 19.000 -0.011 0.000 0.814 436 A HN 0.545 nan 8.150 nan 0.000 0.444 437 A N -0.172 122.685 122.820 0.062 0.000 1.898 437 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 437 A C 2.484 180.109 177.584 0.067 0.000 1.181 437 A CA 1.964 54.032 52.037 0.051 0.000 0.620 437 A CB -0.945 18.082 19.000 0.046 0.000 0.819 437 A HN 1.030 nan 8.150 nan 0.000 0.442 438 A N -0.404 122.470 122.820 0.091 0.000 1.930 438 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 438 A C 2.127 179.773 177.584 0.102 0.000 1.175 438 A CA 1.370 53.470 52.037 0.106 0.000 0.627 438 A CB -0.514 18.566 19.000 0.133 0.000 0.815 438 A HN 0.464 nan 8.150 nan 0.000 0.443 439 L N -0.917 120.359 121.223 0.088 0.000 2.156 439 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 439 L C 2.472 179.413 176.870 0.118 0.000 1.095 439 L CA 0.629 55.524 54.840 0.092 0.000 0.770 439 L CB -0.367 41.660 42.059 -0.053 0.000 0.914 439 L HN 0.367 nan 8.230 nan 0.000 0.439 440 L N -0.383 120.885 121.223 0.076 0.000 2.093 440 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 440 L C 2.599 179.510 176.870 0.070 0.000 1.085 440 L CA 1.263 56.145 54.840 0.069 0.000 0.755 440 L CB -0.212 41.869 42.059 0.037 0.000 0.904 440 L HN 0.319 nan 8.230 nan 0.000 0.435 441 E N -0.122 120.119 120.200 0.069 0.000 2.158 441 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 441 E C 2.160 178.799 176.600 0.064 0.000 0.982 441 E CA 0.563 56.999 56.400 0.058 0.000 0.823 441 E CB 0.166 29.903 29.700 0.062 0.000 0.766 441 E HN 0.287 nan 8.360 nan 0.000 0.468 442 L N 0.078 121.356 121.223 0.093 0.000 2.093 442 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 442 L C 1.852 178.826 176.870 0.173 0.000 1.085 442 L CA 1.571 56.484 54.840 0.121 0.000 0.755 442 L CB -0.046 42.104 42.059 0.151 0.000 0.904 442 L HN 0.257 nan 8.230 nan 0.000 0.435 443 C N -0.407 118.971 119.300 0.129 0.000 3.188 443 C HA 0.711 5.171 4.460 -0.000 0.000 0.315 443 C C 1.112 176.073 174.990 -0.049 0.000 1.285 443 C CA -0.247 58.779 59.018 0.013 0.000 1.729 443 C CB -1.127 26.719 27.740 0.177 0.000 2.257 443 C HN 0.761 nan 8.230 nan 0.000 0.645 444 G N 0.059 108.883 108.800 0.039 0.000 2.705 444 G HA2 0.458 4.418 3.960 -0.000 0.000 0.686 444 G HA3 0.458 4.418 3.960 -0.000 0.000 0.686 444 G C -0.283 174.668 174.900 0.086 0.000 1.285 444 G CA -0.439 44.681 45.100 0.032 0.000 0.800 444 G HN 1.644 nan 8.290 nan 0.000 0.611 445 G N 0.912 109.741 108.800 0.047 0.000 2.369 445 G HA2 0.584 4.544 3.960 -0.000 0.000 0.293 445 G HA3 0.584 4.544 3.960 -0.000 0.000 0.293 445 G C -1.329 173.565 174.900 -0.009 0.000 1.301 445 G CA -0.055 45.058 45.100 0.022 0.000 0.913 445 G HN 0.956 nan 8.290 nan 0.000 0.540 446 K N -0.442 119.932 120.400 -0.044 0.000 2.340 446 K HA 0.850 5.170 4.320 -0.000 0.000 0.244 446 K C -0.107 176.455 176.600 -0.063 0.000 0.973 446 K CA -0.300 55.963 56.287 -0.041 0.000 0.828 446 K CB 2.133 34.609 32.500 -0.039 0.000 1.226 446 K HN 1.175 nan 8.250 nan 0.000 0.437 447 A N 2.728 125.527 122.820 -0.036 0.000 2.301 447 A HA 0.715 5.035 4.320 -0.000 0.000 0.312 447 A C -0.507 177.066 177.584 -0.018 0.000 1.182 447 A CA -0.629 51.388 52.037 -0.033 0.000 0.826 447 A CB 0.273 19.271 19.000 -0.003 0.000 1.134 447 A HN 0.553 nan 8.150 nan 0.000 0.501 448 L N 1.547 122.758 121.223 -0.020 0.000 2.341 448 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 448 L C -0.437 176.526 176.870 0.154 0.000 1.009 448 L CA -1.052 53.823 54.840 0.059 0.000 0.819 448 L CB 2.142 44.228 42.059 0.045 0.000 1.323 448 L HN 0.767 nan 8.230 nan 0.000 0.425 449 N N 0.804 119.591 118.700 0.145 0.000 2.479 449 N HA 0.324 5.064 4.740 -0.000 0.000 0.261 449 N C -0.007 175.579 175.510 0.126 0.000 0.979 449 N CA -0.632 52.493 53.050 0.126 0.000 0.930 449 N CB 1.741 40.271 38.487 0.073 0.000 1.172 449 N HN 0.450 nan 8.380 nan 0.000 0.499 450 V N 0.247 120.235 119.914 0.123 0.000 3.514 450 V HA 0.363 4.483 4.120 -0.000 0.000 0.301 450 V C 0.262 176.340 176.094 -0.026 0.000 1.346 450 V CA -0.210 62.112 62.300 0.036 0.000 1.156 450 V CB -0.561 31.222 31.823 -0.067 0.000 1.029 450 V HN 0.518 nan 8.190 nan 0.000 0.428 451 N N 1.897 120.592 118.700 -0.010 0.000 3.091 451 N HA 0.372 5.112 4.740 -0.000 0.000 0.301 451 N C -0.594 174.907 175.510 -0.015 0.000 1.325 451 N CA 0.175 53.206 53.050 -0.031 0.000 1.143 451 N CB 0.729 39.199 38.487 -0.028 0.000 1.450 451 N HN 0.395 nan 8.380 nan 0.000 0.542 452 L N 0.132 121.346 121.223 -0.014 0.000 2.256 452 L HA 0.597 4.937 4.340 -0.000 0.000 0.261 452 L C -2.133 174.727 176.870 -0.015 0.000 1.022 452 L CA -2.097 52.741 54.840 -0.004 0.000 0.828 452 L CB 0.820 42.887 42.059 0.014 0.000 1.374 452 L HN -0.058 nan 8.230 nan 0.000 0.436 453 P HA 0.256 nan 4.420 nan 0.000 0.275 453 P C 0.876 178.167 177.300 -0.015 0.000 1.227 453 P CA -0.336 62.757 63.100 -0.012 0.000 0.781 453 P CB 0.569 32.267 31.700 -0.003 0.000 0.906 454 L N 1.072 122.278 121.223 -0.028 0.000 2.103 454 L HA -0.207 4.132 4.340 -0.000 0.000 0.215 454 L C 0.784 177.643 176.870 -0.020 0.000 1.080 454 L CA 1.534 56.352 54.840 -0.037 0.000 0.764 454 L CB -0.516 41.518 42.059 -0.042 0.000 0.890 454 L HN 0.436 nan 8.230 nan 0.000 0.435 455 D N -0.222 120.175 120.400 -0.004 0.000 3.085 455 D HA 0.081 4.721 4.640 -0.000 0.000 0.243 455 D C 1.141 177.465 176.300 0.040 0.000 1.232 455 D CA 0.304 54.312 54.000 0.013 0.000 0.913 455 D CB 0.400 41.207 40.800 0.012 0.000 1.108 455 D HN 0.299 nan 8.370 nan 0.000 0.468 456 R N -0.188 120.342 120.500 0.050 0.000 2.208 456 R HA 0.041 4.381 4.340 -0.000 0.000 0.131 456 R C 1.147 177.507 176.300 0.100 0.000 0.610 456 R CA -0.149 56.007 56.100 0.094 0.000 1.080 456 R CB -0.328 30.006 30.300 0.057 0.000 1.294 456 R HN 0.098 nan 8.270 nan 0.000 0.476 457 L N 1.179 122.427 121.223 0.041 0.000 2.056 457 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 457 L C 1.315 178.199 176.870 0.023 0.000 1.078 457 L CA 1.883 56.732 54.840 0.015 0.000 0.749 457 L CB -0.340 41.686 42.059 -0.055 0.000 0.901 457 L HN 0.366 nan 8.230 nan 0.000 0.433 458 N N -0.709 117.988 118.700 -0.005 0.000 2.060 458 N HA -0.280 4.460 4.740 -0.000 0.000 0.195 458 N C 1.736 177.211 175.510 -0.059 0.000 1.028 458 N CA 1.557 54.569 53.050 -0.063 0.000 0.861 458 N CB -0.221 38.183 38.487 -0.138 0.000 1.029 458 N HN 0.188 nan 8.380 nan 0.000 0.428 459 F N 1.498 121.454 119.950 0.009 0.000 2.186 459 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 459 F C 2.575 178.403 175.800 0.047 0.000 1.090 459 F CA 0.868 58.883 58.000 0.025 0.000 1.307 459 F CB -0.075 38.934 39.000 0.014 0.000 1.019 459 F HN -0.033 nan 8.300 nan 0.000 0.489 460 E N 0.330 120.668 120.200 0.228 0.000 2.072 460 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 460 E C 2.379 179.084 176.600 0.174 0.000 0.985 460 E CA 0.944 57.448 56.400 0.173 0.000 0.801 460 E CB -0.494 29.291 29.700 0.141 0.000 0.750 460 E HN 0.370 nan 8.360 nan 0.000 0.452 461 L N -0.234 121.090 121.223 0.167 0.000 2.275 461 L HA -0.074 4.266 4.340 -0.000 0.000 0.215 461 L C 2.333 179.350 176.870 0.245 0.000 1.119 461 L CA 0.927 55.913 54.840 0.243 0.000 0.790 461 L CB -0.515 41.635 42.059 0.151 0.000 0.919 461 L HN 0.143 nan 8.230 nan 0.000 0.443 462 G N -0.479 108.412 108.800 0.152 0.000 2.471 462 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 462 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 462 G C 1.523 176.489 174.900 0.110 0.000 1.125 462 G CA 0.432 45.600 45.100 0.114 0.000 0.775 462 G HN 0.218 nan 8.290 nan 0.000 0.548 463 V N 1.115 121.099 119.914 0.117 0.000 2.720 463 V HA -0.083 4.037 4.120 -0.000 0.000 0.256 463 V C 3.053 179.161 176.094 0.022 0.000 1.082 463 V CA 1.612 63.956 62.300 0.074 0.000 1.101 463 V CB -0.404 31.462 31.823 0.071 0.000 0.693 463 V HN 0.448 nan 8.190 nan 0.000 0.479 464 A N -0.515 122.315 122.820 0.017 0.000 2.167 464 A HA 0.159 4.479 4.320 -0.000 0.000 0.214 464 A C 1.097 178.605 177.584 -0.125 0.000 1.151 464 A CA 0.019 51.980 52.037 -0.125 0.000 0.735 464 A CB -0.421 18.391 19.000 -0.313 0.000 0.802 464 A HN 0.494 nan 8.150 nan 0.000 0.467 465 I N 1.351 121.903 120.570 -0.030 0.000 2.906 465 I HA -0.137 4.033 4.170 -0.000 0.000 0.301 465 I C 0.106 176.199 176.117 -0.040 0.000 1.221 465 I CA 0.581 61.867 61.300 -0.023 0.000 1.435 465 I CB 0.007 38.016 38.000 0.015 0.000 1.345 465 I HN 0.334 nan 8.210 nan 0.000 0.558 466 D N 2.779 123.149 120.400 -0.050 0.000 3.059 466 D HA -0.170 4.470 4.640 -0.000 0.000 0.213 466 D C 0.161 176.438 176.300 -0.038 0.000 1.144 466 D CA 0.989 54.967 54.000 -0.038 0.000 0.975 466 D CB -0.601 40.190 40.800 -0.015 0.000 1.125 466 D HN 0.497 nan 8.370 nan 0.000 0.412 467 Q N -0.868 118.885 119.800 -0.078 0.000 2.299 467 Q HA 0.265 4.605 4.340 -0.000 0.000 0.246 467 Q C 1.122 177.090 176.000 -0.054 0.000 0.935 467 Q CA -0.336 55.431 55.803 -0.059 0.000 0.887 467 Q CB 0.464 29.138 28.738 -0.107 0.000 1.223 467 Q HN 0.160 nan 8.270 nan 0.000 0.439 468 F N 2.363 122.235 119.950 -0.130 0.000 2.146 468 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 468 F C 0.419 176.112 175.800 -0.178 0.000 1.096 468 F CA 0.832 58.748 58.000 -0.141 0.000 1.275 468 F CB 0.387 39.316 39.000 -0.118 0.000 1.008 468 F HN 0.511 nan 8.300 nan 0.000 0.480 469 L N -2.475 118.684 121.223 -0.106 0.000 2.491 469 L HA 0.752 5.092 4.340 -0.000 0.000 0.254 469 L C -1.583 175.185 176.870 -0.169 0.000 1.048 469 L CA -1.385 53.322 54.840 -0.221 0.000 0.855 469 L CB 1.549 43.528 42.059 -0.133 0.000 1.466 469 L HN -0.353 nan 8.230 nan 0.000 0.409 470 V N 0.555 120.344 119.914 -0.208 0.000 2.925 470 V HA 0.816 4.936 4.120 -0.000 0.000 0.311 470 V C -1.247 174.737 176.094 -0.182 0.000 1.104 470 V CA -0.476 61.690 62.300 -0.224 0.000 0.954 470 V CB 2.593 34.202 31.823 -0.356 0.000 1.022 470 V HN 0.711 nan 8.190 nan 0.000 0.427 471 V N 5.949 125.754 119.914 -0.182 0.000 2.409 471 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 471 V C -0.759 175.267 176.094 -0.113 0.000 1.020 471 V CA -0.464 61.776 62.300 -0.101 0.000 0.848 471 V CB 1.510 33.294 31.823 -0.066 0.000 0.990 471 V HN 0.704 nan 8.190 nan 0.000 0.430 472 F N 3.121 123.152 119.950 0.135 0.000 2.462 472 F HA 0.383 4.910 4.527 -0.000 0.000 0.354 472 F C 0.717 176.550 175.800 0.055 0.000 1.192 472 F CA -0.514 57.549 58.000 0.105 0.000 1.173 472 F CB 0.584 39.658 39.000 0.123 0.000 1.402 472 F HN 0.521 nan 8.300 nan 0.000 0.595 473 E N 2.223 122.527 120.200 0.173 0.000 2.344 473 E HA 0.040 4.390 4.350 -0.000 0.000 0.270 473 E C 0.051 176.703 176.600 0.086 0.000 1.021 473 E CA -0.025 56.435 56.400 0.099 0.000 0.887 473 E CB 0.394 30.129 29.700 0.059 0.000 0.997 473 E HN 0.478 nan 8.360 nan 0.000 0.429 474 D N 2.611 123.048 120.400 0.061 0.000 2.802 474 D HA -0.175 4.465 4.640 -0.000 0.000 0.229 474 D C -0.672 175.629 176.300 0.003 0.000 1.203 474 D CA 0.959 54.983 54.000 0.040 0.000 0.712 474 D CB -0.824 40.000 40.800 0.040 0.000 0.973 474 D HN 0.297 nan 8.370 nan 0.000 0.407 475 V N -0.828 119.075 119.914 -0.017 0.000 2.572 475 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 475 V C 0.756 176.675 176.094 -0.292 0.000 1.039 475 V CA -0.167 62.072 62.300 -0.102 0.000 1.055 475 V CB 1.273 33.045 31.823 -0.084 0.000 0.969 475 V HN 0.217 nan 8.190 nan 0.000 0.482 476 K N 3.307 123.483 120.400 -0.373 0.000 2.238 476 K HA 0.887 5.207 4.320 -0.000 0.000 0.239 476 K C 0.073 176.281 176.600 -0.653 0.000 0.987 476 K CA -0.156 55.669 56.287 -0.769 0.000 0.857 476 K CB 2.224 34.520 32.500 -0.340 0.000 1.154 476 K HN 1.109 nan 8.250 nan 0.000 0.439 477 G N -0.217 108.093 108.800 -0.815 0.000 2.696 477 G HA2 0.313 4.273 3.960 -0.000 0.000 0.295 477 G HA3 0.313 4.273 3.960 -0.000 0.000 0.295 477 G C -1.244 173.709 174.900 0.089 0.000 1.398 477 G CA -0.598 44.368 45.100 -0.224 0.000 0.920 477 G HN 0.358 nan 8.290 nan 0.000 0.492 478 T N 0.617 115.206 114.554 0.058 0.000 2.738 478 T HA 0.582 4.932 4.350 -0.000 0.000 0.293 478 T C 0.493 175.252 174.700 0.097 0.000 0.913 478 T CA 0.985 63.136 62.100 0.084 0.000 1.103 478 T CB 0.522 69.411 68.868 0.035 0.000 0.880 478 T HN 1.735 nan 8.240 nan 0.000 0.526 479 G N 1.270 110.139 108.800 0.115 0.000 2.312 479 G HA2 0.440 4.400 3.960 -0.000 0.000 0.322 479 G HA3 0.440 4.400 3.960 -0.000 0.000 0.322 479 G C 0.430 175.367 174.900 0.062 0.000 1.645 479 G CA -0.128 45.020 45.100 0.079 0.000 0.919 479 G HN 1.101 nan 8.290 nan 0.000 0.699 480 G N 0.361 109.168 108.800 0.013 0.000 2.187 480 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.261 480 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.261 480 G C 0.793 175.644 174.900 -0.081 0.000 1.000 480 G CA 1.247 46.328 45.100 -0.033 0.000 0.718 480 G HN 1.209 nan 8.290 nan 0.000 0.519 481 E N 0.198 120.372 120.200 -0.043 0.000 2.515 481 E HA 0.057 4.407 4.350 -0.000 0.000 0.201 481 E C 2.222 178.788 176.600 -0.056 0.000 1.071 481 E CA 0.577 56.944 56.400 -0.054 0.000 0.880 481 E CB 0.005 29.714 29.700 0.015 0.000 0.828 481 E HN 0.461 nan 8.360 nan 0.000 0.540 482 S N 1.040 116.708 115.700 -0.053 0.000 2.423 482 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 482 S C 1.675 176.241 174.600 -0.057 0.000 1.014 482 S CA 0.518 58.693 58.200 -0.043 0.000 0.965 482 S CB -0.020 63.160 63.200 -0.034 0.000 0.785 482 S HN 0.170 nan 8.310 nan 0.000 0.495 483 R N 1.176 121.624 120.500 -0.087 0.000 2.858 483 R HA -0.024 4.316 4.340 -0.000 0.000 0.228 483 R C 0.143 176.386 176.300 -0.095 0.000 1.471 483 R CA 0.702 56.745 56.100 -0.095 0.000 1.342 483 R CB -0.760 29.461 30.300 -0.132 0.000 1.152 483 R HN 0.395 nan 8.270 nan 0.000 0.521 484 D N 0.040 120.398 120.400 -0.069 0.000 3.059 484 D HA -0.211 4.429 4.640 -0.000 0.000 0.220 484 D C -0.833 175.431 176.300 -0.060 0.000 1.169 484 D CA 0.799 54.769 54.000 -0.050 0.000 0.902 484 D CB -0.754 40.022 40.800 -0.039 0.000 1.116 484 D HN 0.363 nan 8.370 nan 0.000 0.417 485 L N 1.050 122.204 121.223 -0.115 0.000 2.278 485 L HA 0.344 4.684 4.340 -0.000 0.000 0.287 485 L C -1.722 175.148 176.870 -0.000 0.000 1.072 485 L CA -1.515 53.232 54.840 -0.155 0.000 0.819 485 L CB 0.841 42.569 42.059 -0.551 0.000 1.176 485 L HN -0.158 nan 8.230 nan 0.000 0.435 486 P HA -0.024 nan 4.420 nan 0.000 0.270 486 P C -0.534 176.885 177.300 0.199 0.000 1.221 486 P CA -0.179 62.995 63.100 0.123 0.000 0.788 486 P CB 0.495 32.261 31.700 0.110 0.000 0.904 487 S N -0.234 115.538 115.700 0.120 0.000 2.585 487 S HA 0.796 5.266 4.470 -0.000 0.000 0.277 487 S C 0.047 174.678 174.600 0.052 0.000 1.241 487 S CA -0.338 57.925 58.200 0.105 0.000 1.041 487 S CB 1.125 64.361 63.200 0.059 0.000 0.987 487 S HN 0.674 nan 8.310 nan 0.000 0.512 488 G N 0.535 109.337 108.800 0.004 0.000 2.698 488 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 488 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 488 G C -0.360 174.496 174.900 -0.074 0.000 1.437 488 G CA -0.627 44.443 45.100 -0.050 0.000 0.852 488 G HN 0.491 nan 8.290 nan 0.000 0.499 489 Q N 0.486 120.244 119.800 -0.070 0.000 2.392 489 Q HA 0.096 4.436 4.340 -0.000 0.000 0.203 489 Q C 2.329 178.263 176.000 -0.110 0.000 0.917 489 Q CA 0.750 56.507 55.803 -0.077 0.000 0.939 489 Q CB 0.532 29.234 28.738 -0.060 0.000 1.063 489 Q HN 0.778 nan 8.270 nan 0.000 0.516 490 G N 2.058 110.780 108.800 -0.129 0.000 2.574 490 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 490 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 490 G C 1.413 176.204 174.900 -0.182 0.000 1.173 490 G CA 0.784 45.791 45.100 -0.156 0.000 0.772 490 G HN 0.271 nan 8.290 nan 0.000 0.585 491 I N 1.680 122.145 120.570 -0.176 0.000 2.142 491 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 491 I C 2.470 178.510 176.117 -0.128 0.000 1.078 491 I CA 1.099 62.314 61.300 -0.142 0.000 1.343 491 I CB -1.346 36.586 38.000 -0.113 0.000 1.046 491 I HN 0.179 nan 8.210 nan 0.000 0.405 492 N N 1.545 120.179 118.700 -0.110 0.000 2.149 492 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 492 N C 1.479 176.910 175.510 -0.133 0.000 1.019 492 N CA 1.233 54.223 53.050 -0.100 0.000 0.857 492 N CB -0.528 37.913 38.487 -0.077 0.000 0.997 492 N HN 0.470 nan 8.380 nan 0.000 0.426 493 N N 1.262 119.868 118.700 -0.157 0.000 2.120 493 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 493 N C 2.010 177.354 175.510 -0.276 0.000 1.024 493 N CA 0.524 53.456 53.050 -0.198 0.000 0.852 493 N CB -0.389 37.983 38.487 -0.191 0.000 1.003 493 N HN 0.281 nan 8.380 nan 0.000 0.424 494 L N 0.850 121.886 121.223 -0.312 0.000 2.056 494 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 494 L C 1.878 178.569 176.870 -0.298 0.000 1.078 494 L CA 1.007 55.606 54.840 -0.402 0.000 0.749 494 L CB -0.397 41.419 42.059 -0.405 0.000 0.901 494 L HN 0.026 nan 8.230 nan 0.000 0.433 495 D N 0.088 120.366 120.400 -0.204 0.000 2.354 495 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 495 D C 1.371 177.583 176.300 -0.146 0.000 0.970 495 D CA 0.866 54.776 54.000 -0.150 0.000 0.905 495 D CB 0.018 40.758 40.800 -0.099 0.000 0.903 495 D HN 0.226 nan 8.370 nan 0.000 0.508 496 N N -0.352 118.245 118.700 -0.172 0.000 2.214 496 N HA 0.096 4.836 4.740 -0.000 0.000 0.214 496 N C 0.208 175.613 175.510 -0.175 0.000 1.132 496 N CA -0.009 52.952 53.050 -0.148 0.000 0.856 496 N CB 0.947 39.353 38.487 -0.134 0.000 1.020 496 N HN 0.255 nan 8.380 nan 0.000 0.509 497 L N 0.454 121.538 121.223 -0.230 0.000 3.141 497 L HA 0.292 4.632 4.340 -0.000 0.000 0.267 497 L C 1.917 178.713 176.870 -0.123 0.000 1.281 497 L CA -0.095 54.596 54.840 -0.249 0.000 1.037 497 L CB 0.385 42.137 42.059 -0.511 0.000 1.407 497 L HN -0.026 nan 8.230 nan 0.000 0.566 498 R N 0.906 121.348 120.500 -0.097 0.000 2.112 498 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 498 R C 1.333 177.613 176.300 -0.035 0.000 1.137 498 R CA 2.357 58.407 56.100 -0.084 0.000 0.944 498 R CB 0.095 30.355 30.300 -0.067 0.000 0.857 498 R HN 0.355 nan 8.270 nan 0.000 0.435 499 D N -0.781 119.622 120.400 0.005 0.000 2.218 499 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 499 D C 1.683 177.946 176.300 -0.062 0.000 0.976 499 D CA 1.183 55.163 54.000 -0.033 0.000 0.853 499 D CB -0.200 40.558 40.800 -0.069 0.000 0.939 499 D HN 0.355 nan 8.370 nan 0.000 0.481 500 Y N 0.813 121.011 120.300 -0.169 0.000 2.153 500 Y HA -0.015 4.535 4.550 -0.000 0.000 0.289 500 Y C 2.537 178.393 175.900 -0.074 0.000 1.127 500 Y CA 0.583 58.540 58.100 -0.238 0.000 1.131 500 Y CB -0.627 37.431 38.460 -0.671 0.000 0.995 500 Y HN -0.100 nan 8.280 nan 0.000 0.505 501 L N -0.408 120.813 121.223 -0.002 0.000 2.046 501 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 501 L C 1.847 178.796 176.870 0.133 0.000 1.077 501 L CA 1.413 56.233 54.840 -0.033 0.000 0.747 501 L CB -0.565 41.273 42.059 -0.368 0.000 0.896 501 L HN 0.180 nan 8.230 nan 0.000 0.432 502 D N 0.418 120.847 120.400 0.048 0.000 2.144 502 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 502 D C 1.609 177.961 176.300 0.087 0.000 0.984 502 D CA 1.360 55.395 54.000 0.059 0.000 0.834 502 D CB -0.303 40.503 40.800 0.011 0.000 0.955 502 D HN 0.394 nan 8.370 nan 0.000 0.465 503 G N -0.025 108.828 108.800 0.088 0.000 2.246 503 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 503 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 503 G C 1.065 175.981 174.900 0.028 0.000 1.055 503 G CA 0.779 45.925 45.100 0.076 0.000 0.851 503 G HN 0.324 nan 8.290 nan 0.000 0.500 504 S N -1.904 113.800 115.700 0.007 0.000 2.468 504 S HA 0.376 4.846 4.470 -0.000 0.000 0.226 504 S C 1.056 175.645 174.600 -0.019 0.000 1.051 504 S CA 0.886 59.083 58.200 -0.005 0.000 0.943 504 S CB 0.732 63.928 63.200 -0.007 0.000 0.810 504 S HN 0.482 nan 8.310 nan 0.000 0.509 505 V N 2.135 122.028 119.914 -0.034 0.000 2.960 505 V HA 0.348 4.468 4.120 -0.000 0.000 0.315 505 V C -0.473 175.578 176.094 -0.071 0.000 1.087 505 V CA -1.107 61.164 62.300 -0.049 0.000 0.982 505 V CB 2.048 33.837 31.823 -0.057 0.000 1.039 505 V HN 0.144 nan 8.190 nan 0.000 0.437 506 K N 1.639 121.997 120.400 -0.070 0.000 2.237 506 K HA 0.556 4.876 4.320 -0.000 0.000 0.270 506 K C -0.569 175.944 176.600 -0.144 0.000 1.015 506 K CA -0.253 55.986 56.287 -0.081 0.000 0.949 506 K CB 1.450 33.918 32.500 -0.054 0.000 0.976 506 K HN 0.570 nan 8.250 nan 0.000 0.472 507 V N -1.064 118.736 119.914 -0.189 0.000 2.960 507 V HA 0.407 4.527 4.120 -0.000 0.000 0.315 507 V C -0.572 175.442 176.094 -0.134 0.000 1.087 507 V CA -1.282 60.830 62.300 -0.313 0.000 0.982 507 V CB 1.846 33.151 31.823 -0.864 0.000 1.039 507 V HN 0.579 nan 8.190 nan 0.000 0.437 508 N N 2.783 121.434 118.700 -0.082 0.000 2.420 508 N HA 0.496 5.236 4.740 -0.000 0.000 0.249 508 N C -0.868 174.675 175.510 0.055 0.000 1.033 508 N CA -0.062 52.982 53.050 -0.009 0.000 0.944 508 N CB 1.374 39.854 38.487 -0.013 0.000 1.113 508 N HN 0.663 nan 8.380 nan 0.000 0.502 509 L N 1.312 122.574 121.223 0.065 0.000 2.282 509 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 509 L C 0.714 177.593 176.870 0.013 0.000 1.033 509 L CA -0.538 54.360 54.840 0.097 0.000 0.807 509 L CB 1.355 43.495 42.059 0.137 0.000 1.209 509 L HN 0.345 nan 8.230 nan 0.000 0.423 510 E N 5.030 125.199 120.200 -0.051 0.000 2.195 510 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 510 E C -1.433 175.055 176.600 -0.187 0.000 0.923 510 E CA -0.671 55.634 56.400 -0.159 0.000 0.790 510 E CB 2.191 31.708 29.700 -0.304 0.000 1.155 510 E HN 0.504 nan 8.360 nan 0.000 0.402 511 K N 3.710 124.055 120.400 -0.093 0.000 2.670 511 K HA 0.112 4.431 4.320 -0.000 0.000 0.274 511 K C -1.359 175.357 176.600 0.194 0.000 1.068 511 K CA -0.323 56.018 56.287 0.091 0.000 0.967 511 K CB 0.431 32.999 32.500 0.113 0.000 1.297 511 K HN 0.600 nan 8.250 nan 0.000 0.477 512 K N 4.057 124.717 120.400 0.434 0.000 3.255 512 K HA -0.115 4.205 4.320 -0.000 0.000 0.267 512 K C -1.239 175.585 176.600 0.374 0.000 1.195 512 K CA 0.825 57.344 56.287 0.387 0.000 0.805 512 K CB -1.482 31.141 32.500 0.206 0.000 1.325 512 K HN 1.029 nan 8.250 nan 0.000 0.489 513 H N -2.321 116.897 119.070 0.246 0.000 2.557 513 H HA -0.154 4.402 4.556 -0.000 0.000 0.319 513 H C -0.620 174.734 175.328 0.043 0.000 1.102 513 H CA 1.652 57.780 56.048 0.134 0.000 1.126 513 H CB -0.654 29.193 29.762 0.142 0.000 1.498 513 H HN 0.406 nan 8.280 nan 0.000 0.411 514 L N -0.044 121.210 121.223 0.051 0.000 3.077 514 L HA 0.241 4.581 4.340 -0.000 0.000 0.254 514 L C -1.217 175.642 176.870 -0.018 0.000 0.959 514 L CA -0.544 54.310 54.840 0.023 0.000 1.030 514 L CB 1.123 43.216 42.059 0.057 0.000 1.679 514 L HN 0.143 nan 8.230 nan 0.000 0.468 515 N N 4.468 123.151 118.700 -0.027 0.000 2.670 515 N HA 0.056 4.796 4.740 -0.000 0.000 0.296 515 N C 0.527 176.034 175.510 -0.005 0.000 1.216 515 N CA -0.170 52.864 53.050 -0.028 0.000 1.123 515 N CB 0.606 39.079 38.487 -0.023 0.000 1.459 515 N HN 0.465 nan 8.380 nan 0.000 0.509 516 K N 0.738 121.140 120.400 0.003 0.000 2.293 516 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 516 K C 0.794 177.401 176.600 0.011 0.000 1.045 516 K CA 1.041 57.337 56.287 0.015 0.000 0.933 516 K CB 0.074 32.590 32.500 0.026 0.000 0.736 516 K HN 0.525 nan 8.250 nan 0.000 0.463 517 R N -1.122 119.383 120.500 0.008 0.000 2.907 517 R HA 0.087 4.427 4.340 -0.000 0.000 0.246 517 R C -1.655 174.648 176.300 0.005 0.000 1.082 517 R CA -0.029 56.074 56.100 0.006 0.000 1.003 517 R CB 0.894 31.198 30.300 0.006 0.000 1.261 517 R HN -0.194 nan 8.270 nan 0.000 0.474 518 T N 4.491 119.043 114.554 -0.004 0.000 2.749 518 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 518 T C -0.992 173.700 174.700 -0.014 0.000 0.970 518 T CA -0.353 61.739 62.100 -0.013 0.000 0.980 518 T CB 1.100 69.956 68.868 -0.021 0.000 0.924 518 T HN 0.562 nan 8.240 nan 0.000 0.456 519 Q N 2.147 121.939 119.800 -0.013 0.000 2.685 519 Q HA 0.528 4.868 4.340 -0.000 0.000 0.301 519 Q C -1.357 174.637 176.000 -0.009 0.000 0.924 519 Q CA -1.197 54.597 55.803 -0.014 0.000 0.755 519 Q CB 0.877 29.607 28.738 -0.014 0.000 1.470 519 Q HN 0.284 nan 8.270 nan 0.000 0.434 520 I N 2.227 122.790 120.570 -0.011 0.000 2.517 520 I HA 0.116 4.286 4.170 -0.000 0.000 0.285 520 I C 0.198 176.348 176.117 0.055 0.000 1.106 520 I CA 0.069 61.375 61.300 0.009 0.000 1.402 520 I CB -0.597 37.396 38.000 -0.012 0.000 1.399 520 I HN 0.639 nan 8.210 nan 0.000 0.535 521 F N 10.049 129.978 119.950 -0.035 0.000 2.602 521 F HA 0.135 4.662 4.527 -0.000 0.000 0.367 521 F C -1.532 174.295 175.800 0.045 0.000 1.126 521 F CA -1.012 57.016 58.000 0.048 0.000 1.321 521 F CB 0.096 39.188 39.000 0.154 0.000 1.094 521 F HN 0.369 nan 8.300 nan 0.000 0.594 522 P HA 0.156 nan 4.420 nan 0.000 0.272 522 P C -2.799 174.397 177.300 -0.174 0.000 1.240 522 P CA -1.116 61.757 63.100 -0.379 0.000 0.791 522 P CB 0.251 31.659 31.700 -0.488 0.000 0.978 523 P HA 0.422 nan 4.420 nan 0.000 0.282 523 P C 0.006 176.868 177.300 -0.731 0.000 1.287 523 P CA 0.113 62.912 63.100 -0.501 0.000 0.792 523 P CB 1.052 32.471 31.700 -0.468 0.000 1.163 524 G N -1.103 107.013 108.800 -1.140 0.000 2.399 524 G HA2 0.408 4.368 3.960 -0.000 0.000 0.256 524 G HA3 0.408 4.368 3.960 -0.000 0.000 0.256 524 G C -1.735 173.046 174.900 -0.198 0.000 1.236 524 G CA -0.610 44.163 45.100 -0.545 0.000 0.914 524 G HN 0.443 nan 8.290 nan 0.000 0.482 525 I N -0.418 120.196 120.570 0.074 0.000 2.892 525 I HA 0.672 4.842 4.170 -0.000 0.000 0.306 525 I C -0.748 175.557 176.117 0.314 0.000 1.078 525 I CA -1.292 60.058 61.300 0.082 0.000 1.032 525 I CB 2.502 40.233 38.000 -0.448 0.000 1.229 525 I HN 0.263 nan 8.210 nan 0.000 0.435 526 V N 2.102 122.181 119.914 0.276 0.000 2.482 526 V HA 0.320 4.440 4.120 -0.000 0.000 0.295 526 V C -0.148 176.016 176.094 0.116 0.000 1.026 526 V CA -0.549 61.947 62.300 0.327 0.000 0.856 526 V CB 1.981 34.080 31.823 0.460 0.000 1.001 526 V HN 0.886 nan 8.190 nan 0.000 0.424 527 T N 3.372 117.981 114.554 0.092 0.000 2.882 527 T HA 0.827 5.177 4.350 -0.000 0.000 0.287 527 T C -0.474 174.269 174.700 0.072 0.000 0.992 527 T CA -0.553 61.594 62.100 0.079 0.000 1.076 527 T CB 1.721 70.616 68.868 0.045 0.000 0.961 527 T HN 0.671 nan 8.240 nan 0.000 0.490 528 M N 2.655 122.297 119.600 0.069 0.000 2.414 528 M HA 0.340 4.820 4.480 -0.000 0.000 0.287 528 M C -1.483 174.892 176.300 0.125 0.000 1.181 528 M CA -0.794 54.555 55.300 0.080 0.000 0.933 528 M CB 2.033 34.664 32.600 0.052 0.000 1.732 528 M HN 0.629 nan 8.290 nan 0.000 0.486 529 N N 1.816 120.651 118.700 0.226 0.000 2.332 529 N HA 0.163 4.903 4.740 -0.000 0.000 0.285 529 N C -0.756 174.870 175.510 0.193 0.000 1.292 529 N CA -0.049 53.121 53.050 0.199 0.000 0.947 529 N CB 0.236 38.853 38.487 0.218 0.000 1.084 529 N HN 0.631 nan 8.380 nan 0.000 0.529 530 E N 0.187 120.403 120.200 0.027 0.000 2.110 530 E HA 0.117 4.467 4.350 -0.000 0.000 0.300 530 E C -0.689 175.858 176.600 -0.088 0.000 1.278 530 E CA -0.048 56.343 56.400 -0.015 0.000 1.365 530 E CB -0.217 29.451 29.700 -0.054 0.000 1.283 530 E HN 0.346 nan 8.360 nan 0.000 0.490 531 Y N -0.200 120.101 120.300 0.002 0.000 2.480 531 Y HA 0.237 4.787 4.550 -0.000 0.000 0.323 531 Y C 0.965 176.867 175.900 0.003 0.000 1.267 531 Y CA -1.068 57.034 58.100 0.002 0.000 1.336 531 Y CB 1.083 39.544 38.460 0.003 0.000 1.361 531 Y HN -0.042 nan 8.280 nan 0.000 0.518 532 S N 0.904 116.711 115.700 0.178 0.000 2.465 532 S HA 0.374 4.844 4.470 -0.000 0.000 0.279 532 S C -0.772 173.885 174.600 0.095 0.000 1.201 532 S CA -0.696 57.564 58.200 0.100 0.000 1.053 532 S CB 0.235 63.476 63.200 0.068 0.000 0.953 532 S HN 0.323 nan 8.310 nan 0.000 0.488 533 V N 6.806 126.767 119.914 0.078 0.000 2.364 533 V HA 0.265 4.385 4.120 -0.000 0.000 0.272 533 V C -1.909 174.225 176.094 0.066 0.000 1.036 533 V CA -1.803 60.543 62.300 0.078 0.000 0.880 533 V CB 0.520 32.398 31.823 0.092 0.000 0.991 533 V HN 0.648 nan 8.190 nan 0.000 0.460 534 P HA 0.075 nan 4.420 nan 0.000 0.270 534 P C 0.897 178.223 177.300 0.044 0.000 1.227 534 P CA -0.252 62.869 63.100 0.035 0.000 0.788 534 P CB 0.780 32.489 31.700 0.016 0.000 0.926 535 K N 0.493 120.911 120.400 0.031 0.000 2.057 535 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 535 K C 1.590 178.205 176.600 0.025 0.000 1.050 535 K CA 1.974 58.281 56.287 0.032 0.000 0.935 535 K CB -0.604 31.908 32.500 0.021 0.000 0.715 535 K HN 0.634 nan 8.250 nan 0.000 0.439 536 T N -0.356 114.202 114.554 0.007 0.000 2.977 536 T HA -0.134 4.216 4.350 -0.000 0.000 0.271 536 T C 1.660 176.342 174.700 -0.030 0.000 1.105 536 T CA 0.911 63.003 62.100 -0.014 0.000 1.116 536 T CB 0.003 68.855 68.868 -0.026 0.000 0.878 536 T HN 0.188 nan 8.240 nan 0.000 0.509 537 L N 0.090 121.311 121.223 -0.003 0.000 2.316 537 L HA 0.409 4.749 4.340 -0.000 0.000 0.207 537 L C 2.519 179.440 176.870 0.084 0.000 1.070 537 L CA 1.200 56.033 54.840 -0.011 0.000 0.820 537 L CB -0.768 41.312 42.059 0.036 0.000 0.992 537 L HN 0.112 nan 8.230 nan 0.000 0.466 538 Q N 0.415 120.319 119.800 0.173 0.000 2.181 538 Q HA -0.126 4.214 4.340 -0.000 0.000 0.205 538 Q C 2.079 178.209 176.000 0.216 0.000 0.980 538 Q CA 1.987 57.960 55.803 0.283 0.000 0.862 538 Q CB -0.395 28.440 28.738 0.162 0.000 0.905 538 Q HN 0.587 nan 8.270 nan 0.000 0.429 539 A N 0.011 122.880 122.820 0.082 0.000 2.070 539 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 539 A C 1.763 179.339 177.584 -0.013 0.000 1.159 539 A CA 1.123 53.183 52.037 0.038 0.000 0.656 539 A CB -0.344 18.661 19.000 0.008 0.000 0.800 539 A HN 0.216 nan 8.150 nan 0.000 0.453 540 R N -1.118 119.298 120.500 -0.141 0.000 2.235 540 R HA 0.090 4.430 4.340 -0.000 0.000 0.213 540 R C -0.597 175.487 176.300 -0.359 0.000 1.059 540 R CA 0.258 56.161 56.100 -0.329 0.000 0.997 540 R CB -0.512 29.434 30.300 -0.589 0.000 0.884 540 R HN 0.543 nan 8.270 nan 0.000 0.462 541 F N -0.308 119.716 119.950 0.123 0.000 2.422 541 F HA 0.131 4.658 4.527 -0.000 0.000 0.333 541 F C 1.617 177.491 175.800 0.123 0.000 1.095 541 F CA -0.913 57.194 58.000 0.178 0.000 1.038 541 F CB 1.362 40.462 39.000 0.167 0.000 1.156 541 F HN -0.337 nan 8.300 nan 0.000 0.483 542 V N -0.941 119.163 119.914 0.317 0.000 3.354 542 V HA 0.275 4.395 4.120 -0.000 0.000 0.258 542 V C 0.173 176.283 176.094 0.026 0.000 1.159 542 V CA 0.402 62.802 62.300 0.168 0.000 1.125 542 V CB -0.488 31.453 31.823 0.197 0.000 0.774 542 V HN 0.734 nan 8.190 nan 0.000 0.464 543 K N 0.534 120.909 120.400 -0.042 0.000 2.542 543 K HA 0.482 4.802 4.320 -0.000 0.000 0.259 543 K C -1.463 175.034 176.600 -0.172 0.000 0.932 543 K CA -0.486 55.612 56.287 -0.316 0.000 0.820 543 K CB 2.402 34.295 32.500 -1.012 0.000 1.345 543 K HN 0.315 nan 8.250 nan 0.000 0.432 544 Q N 5.084 124.798 119.800 -0.143 0.000 2.321 544 Q HA 0.467 4.807 4.340 -0.000 0.000 0.270 544 Q C -1.442 174.517 176.000 -0.067 0.000 1.032 544 Q CA -0.689 55.077 55.803 -0.061 0.000 0.784 544 Q CB 1.306 30.010 28.738 -0.056 0.000 1.264 544 Q HN 0.586 nan 8.270 nan 0.000 0.448 545 I N 3.425 124.011 120.570 0.028 0.000 2.404 545 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 545 I C -0.674 175.442 176.117 -0.002 0.000 0.992 545 I CA -0.882 60.372 61.300 -0.077 0.000 1.149 545 I CB 1.722 39.623 38.000 -0.165 0.000 1.315 545 I HN 0.573 nan 8.210 nan 0.000 0.446 546 D N 6.399 126.730 120.400 -0.115 0.000 2.198 546 D HA 0.388 5.028 4.640 -0.000 0.000 0.245 546 D C -0.827 175.392 176.300 -0.136 0.000 1.079 546 D CA -0.026 53.964 54.000 -0.017 0.000 0.854 546 D CB 1.834 42.606 40.800 -0.046 0.000 1.148 546 D HN 0.082 nan 8.370 nan 0.000 0.456 547 F N 1.305 121.189 119.950 -0.110 0.000 2.450 547 F HA 0.454 4.981 4.527 -0.000 0.000 0.332 547 F C 0.845 176.591 175.800 -0.090 0.000 1.093 547 F CA -0.678 57.251 58.000 -0.118 0.000 1.003 547 F CB 1.517 40.450 39.000 -0.112 0.000 1.151 547 F HN -0.086 nan 8.300 nan 0.000 0.474 548 R N 2.294 122.816 120.500 0.036 0.000 2.621 548 R HA 0.453 4.793 4.340 -0.000 0.000 0.284 548 R C -2.863 173.409 176.300 -0.046 0.000 0.998 548 R CA -2.000 54.093 56.100 -0.012 0.000 0.895 548 R CB 1.978 32.245 30.300 -0.055 0.000 1.195 548 R HN 0.297 nan 8.270 nan 0.000 0.450 549 P HA 0.071 nan 4.420 nan 0.000 0.269 549 P C -1.111 176.107 177.300 -0.138 0.000 1.209 549 P CA -0.063 62.999 63.100 -0.064 0.000 0.776 549 P CB 0.616 32.295 31.700 -0.036 0.000 0.876 550 K N 1.970 122.239 120.400 -0.218 0.000 2.507 550 K HA 0.187 4.507 4.320 -0.000 0.000 0.251 550 K C 0.150 176.555 176.600 -0.324 0.000 0.943 550 K CA -0.651 55.396 56.287 -0.400 0.000 0.794 550 K CB 1.969 33.972 32.500 -0.828 0.000 1.188 550 K HN 0.290 nan 8.250 nan 0.000 0.428 551 D N 1.551 121.850 120.400 -0.169 0.000 2.127 551 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 551 D C 1.775 178.195 176.300 0.199 0.000 1.000 551 D CA 2.111 56.159 54.000 0.079 0.000 0.839 551 D CB -0.109 40.722 40.800 0.051 0.000 0.955 551 D HN 0.685 nan 8.370 nan 0.000 0.446 552 Y N 0.617 120.959 120.300 0.071 0.000 2.315 552 Y HA -0.071 4.479 4.550 -0.000 0.000 0.288 552 Y C 2.264 178.232 175.900 0.112 0.000 1.154 552 Y CA 0.590 58.719 58.100 0.048 0.000 1.229 552 Y CB -1.014 37.409 38.460 -0.061 0.000 0.980 552 Y HN -0.044 nan 8.280 nan 0.000 0.540 553 L N 0.455 121.606 121.223 -0.121 0.000 2.072 553 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 553 L C 2.784 179.857 176.870 0.339 0.000 1.079 553 L CA 1.858 56.768 54.840 0.117 0.000 0.752 553 L CB -0.514 41.426 42.059 -0.199 0.000 0.906 553 L HN 0.249 nan 8.230 nan 0.000 0.436 554 K N -0.145 120.348 120.400 0.155 0.000 2.007 554 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 554 K C 2.135 178.739 176.600 0.006 0.000 1.047 554 K CA 1.517 57.836 56.287 0.054 0.000 0.937 554 K CB -0.100 32.358 32.500 -0.070 0.000 0.718 554 K HN 0.265 nan 8.250 nan 0.000 0.438 555 H N -0.077 119.028 119.070 0.058 0.000 2.387 555 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 555 H C 2.357 177.722 175.328 0.062 0.000 1.099 555 H CA 1.562 57.640 56.048 0.049 0.000 1.315 555 H CB -0.586 29.206 29.762 0.049 0.000 1.380 555 H HN 0.378 nan 8.280 nan 0.000 0.513 556 C N 0.396 119.840 119.300 0.239 0.000 2.432 556 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 556 C C 2.618 177.653 174.990 0.076 0.000 1.249 556 C CA 0.814 59.947 59.018 0.192 0.000 1.725 556 C CB -1.287 26.643 27.740 0.315 0.000 2.028 556 C HN 0.547 nan 8.230 nan 0.000 0.477 557 L N 0.700 121.942 121.223 0.032 0.000 2.042 557 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 557 L C 2.743 179.524 176.870 -0.148 0.000 1.076 557 L CA 2.177 56.911 54.840 -0.176 0.000 0.749 557 L CB -0.833 41.084 42.059 -0.237 0.000 0.893 557 L HN 0.480 nan 8.230 nan 0.000 0.432 558 E N -0.030 120.123 120.200 -0.079 0.000 2.171 558 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 558 E C 1.920 178.498 176.600 -0.037 0.000 0.997 558 E CA 1.023 57.383 56.400 -0.067 0.000 0.810 558 E CB -0.080 29.585 29.700 -0.058 0.000 0.738 558 E HN 0.487 nan 8.360 nan 0.000 0.467 559 R N 0.267 120.761 120.500 -0.010 0.000 2.334 559 R HA 0.088 4.428 4.340 -0.000 0.000 0.216 559 R C 0.484 176.803 176.300 0.030 0.000 0.905 559 R CA 0.354 56.469 56.100 0.025 0.000 1.064 559 R CB 0.661 30.994 30.300 0.056 0.000 1.046 559 R HN 0.006 nan 8.270 nan 0.000 0.508 560 S N -0.889 114.764 115.700 -0.078 0.000 2.569 560 S HA 0.194 4.664 4.470 -0.000 0.000 0.215 560 S C 0.274 174.558 174.600 -0.527 0.000 1.096 560 S CA -0.773 57.288 58.200 -0.231 0.000 1.183 560 S CB 0.610 63.600 63.200 -0.350 0.000 1.324 560 S HN 0.104 nan 8.310 nan 0.000 0.421 561 E N 1.285 121.357 120.200 -0.213 0.000 2.147 561 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 561 E C 1.370 177.827 176.600 -0.239 0.000 1.005 561 E CA 1.965 58.248 56.400 -0.194 0.000 0.810 561 E CB -0.628 29.038 29.700 -0.056 0.000 0.736 561 E HN 0.918 nan 8.360 nan 0.000 0.460 562 F N 0.507 120.393 119.950 -0.106 0.000 2.192 562 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 562 F C 1.836 177.517 175.800 -0.199 0.000 1.079 562 F CA 0.913 58.839 58.000 -0.124 0.000 1.303 562 F CB -0.656 38.286 39.000 -0.097 0.000 1.024 562 F HN -0.095 nan 8.300 nan 0.000 0.494 563 L N 0.072 120.682 121.223 -1.021 0.000 2.079 563 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 563 L C 2.469 179.047 176.870 -0.486 0.000 1.081 563 L CA 1.283 55.665 54.840 -0.762 0.000 0.752 563 L CB -0.545 40.954 42.059 -0.935 0.000 0.896 563 L HN 0.331 nan 8.230 nan 0.000 0.433 564 L N -1.418 119.558 121.223 -0.411 0.000 2.253 564 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 564 L C 2.419 179.181 176.870 -0.179 0.000 1.078 564 L CA 0.436 55.105 54.840 -0.285 0.000 0.805 564 L CB -0.285 41.617 42.059 -0.261 0.000 0.963 564 L HN 0.175 nan 8.230 nan 0.000 0.459 565 E N 0.883 120.999 120.200 -0.141 0.000 2.110 565 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 565 E C 1.463 178.035 176.600 -0.047 0.000 0.988 565 E CA 1.072 57.432 56.400 -0.067 0.000 0.804 565 E CB 0.011 29.697 29.700 -0.024 0.000 0.745 565 E HN 0.415 nan 8.360 nan 0.000 0.458 566 K N 0.259 120.620 120.400 -0.066 0.000 2.374 566 K HA 0.163 4.483 4.320 -0.000 0.000 0.196 566 K C -0.228 176.311 176.600 -0.102 0.000 1.023 566 K CA -0.129 56.129 56.287 -0.049 0.000 1.103 566 K CB 0.424 32.898 32.500 -0.043 0.000 0.848 566 K HN 0.008 nan 8.250 nan 0.000 0.528 567 R N 0.594 121.012 120.500 -0.138 0.000 3.333 567 R HA -0.195 4.145 4.340 -0.000 0.000 0.256 567 R C 0.612 176.802 176.300 -0.183 0.000 1.010 567 R CA 0.220 56.245 56.100 -0.125 0.000 0.680 567 R CB -2.409 27.872 30.300 -0.031 0.000 1.102 567 R HN 0.319 nan 8.270 nan 0.000 0.440 568 I N 0.219 120.569 120.570 -0.368 0.000 2.339 568 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 568 I C 2.433 178.420 176.117 -0.218 0.000 1.096 568 I CA 1.403 62.374 61.300 -0.548 0.000 1.408 568 I CB -0.136 37.391 38.000 -0.789 0.000 1.092 568 I HN 0.364 nan 8.210 nan 0.000 0.423 569 I N 0.093 120.528 120.570 -0.225 0.000 2.916 569 I HA -0.185 3.985 4.170 -0.000 0.000 0.267 569 I C 1.607 177.736 176.117 0.020 0.000 1.263 569 I CA 0.947 62.188 61.300 -0.098 0.000 1.471 569 I CB -0.427 37.377 38.000 -0.327 0.000 1.089 569 I HN 0.342 nan 8.210 nan 0.000 0.468 570 Q N 1.540 121.337 119.800 -0.004 0.000 2.172 570 Q HA 0.286 4.626 4.340 -0.000 0.000 0.217 570 Q C 0.276 176.329 176.000 0.088 0.000 0.832 570 Q CA -0.115 55.719 55.803 0.052 0.000 1.010 570 Q CB 0.150 28.900 28.738 0.020 0.000 1.133 570 Q HN 0.382 nan 8.270 nan 0.000 0.489 571 S N -0.163 115.613 115.700 0.127 0.000 2.554 571 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 571 S C 1.113 175.824 174.600 0.186 0.000 1.242 571 S CA 0.069 58.389 58.200 0.200 0.000 1.051 571 S CB 1.217 64.657 63.200 0.401 0.000 0.986 571 S HN 0.395 nan 8.310 nan 0.000 0.502 572 G N 3.651 112.532 108.800 0.134 0.000 2.471 572 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.219 572 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.219 572 G C 1.132 176.064 174.900 0.054 0.000 1.125 572 G CA 0.425 45.577 45.100 0.086 0.000 0.775 572 G HN 0.775 nan 8.290 nan 0.000 0.548 573 I N 0.959 121.580 120.570 0.085 0.000 2.546 573 I HA -0.068 4.102 4.170 -0.000 0.000 0.255 573 I C 3.105 179.308 176.117 0.144 0.000 1.163 573 I CA 0.661 61.969 61.300 0.013 0.000 1.457 573 I CB 0.009 37.925 38.000 -0.141 0.000 1.092 573 I HN 0.242 nan 8.210 nan 0.000 0.434 574 A N 0.893 123.900 122.820 0.313 0.000 1.929 574 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 574 A C 2.250 179.951 177.584 0.195 0.000 1.176 574 A CA 1.055 53.284 52.037 0.322 0.000 0.628 574 A CB -0.550 18.639 19.000 0.314 0.000 0.816 574 A HN 0.347 nan 8.150 nan 0.000 0.444 575 L N -1.051 120.266 121.223 0.158 0.000 2.109 575 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 575 L C 2.498 179.419 176.870 0.085 0.000 1.086 575 L CA 0.745 55.669 54.840 0.140 0.000 0.760 575 L CB -0.464 41.676 42.059 0.135 0.000 0.910 575 L HN 0.411 nan 8.230 nan 0.000 0.437 576 L N -0.007 121.204 121.223 -0.021 0.000 2.056 576 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 576 L C 2.289 179.129 176.870 -0.051 0.000 1.078 576 L CA 1.671 56.426 54.840 -0.143 0.000 0.749 576 L CB -0.437 41.425 42.059 -0.329 0.000 0.901 576 L HN 0.106 nan 8.230 nan 0.000 0.433 577 L N -1.393 119.812 121.223 -0.030 0.000 2.083 577 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 577 L C 2.593 179.526 176.870 0.104 0.000 1.083 577 L CA 1.662 56.494 54.840 -0.013 0.000 0.752 577 L CB -0.402 41.645 42.059 -0.020 0.000 0.899 577 L HN 0.413 nan 8.230 nan 0.000 0.433 578 M N -0.323 119.378 119.600 0.168 0.000 2.117 578 M HA -0.220 4.260 4.480 -0.000 0.000 0.262 578 M C 2.203 178.745 176.300 0.404 0.000 1.065 578 M CA 1.785 57.271 55.300 0.310 0.000 1.114 578 M CB 0.017 32.804 32.600 0.310 0.000 1.361 578 M HN 0.193 nan 8.290 nan 0.000 0.408 579 L N -0.028 121.384 121.223 0.315 0.000 2.093 579 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 579 L C 2.323 179.494 176.870 0.502 0.000 1.085 579 L CA 1.063 56.132 54.840 0.381 0.000 0.755 579 L CB -0.596 41.664 42.059 0.335 0.000 0.904 579 L HN 0.368 nan 8.230 nan 0.000 0.435 580 I N -1.265 119.523 120.570 0.363 0.000 2.394 580 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 580 I C 2.332 178.566 176.117 0.194 0.000 1.136 580 I CA 1.274 62.700 61.300 0.211 0.000 1.425 580 I CB -0.294 37.748 38.000 0.070 0.000 1.079 580 I HN 0.533 nan 8.210 nan 0.000 0.425 581 W N 0.539 121.827 121.300 -0.020 0.000 2.494 581 W HA -0.138 4.522 4.660 0.000 0.000 0.286 581 W C 1.770 178.132 176.519 -0.262 0.000 1.218 581 W CA 1.121 58.338 57.345 -0.214 0.000 1.313 581 W CB -0.071 29.138 29.460 -0.418 0.000 1.105 581 W HN 0.122 nan 8.180 nan 0.000 0.561 582 Y N 0.702 121.075 120.300 0.123 0.000 2.441 582 Y HA 0.153 4.703 4.550 -0.000 0.000 0.288 582 Y C 1.251 177.163 175.900 0.019 0.000 1.118 582 Y CA 0.505 58.620 58.100 0.026 0.000 1.215 582 Y CB -0.237 38.283 38.460 0.100 0.000 1.118 582 Y HN -0.500 nan 8.280 nan 0.000 0.547 583 R N 1.334 121.992 120.500 0.263 0.000 2.459 583 R HA 0.277 4.617 4.340 -0.000 0.000 0.281 583 R C -2.810 173.621 176.300 0.218 0.000 1.050 583 R CA -2.668 53.529 56.100 0.162 0.000 1.055 583 R CB -0.666 29.668 30.300 0.055 0.000 1.045 583 R HN -0.038 nan 8.270 nan 0.000 0.495 584 P HA 0.002 nan 4.420 nan 0.000 0.268 584 P C 0.911 178.363 177.300 0.253 0.000 1.204 584 P CA -0.118 63.049 63.100 0.110 0.000 0.768 584 P CB 0.546 32.269 31.700 0.039 0.000 0.842 585 V N 3.230 123.252 119.914 0.180 0.000 2.439 585 V HA -0.340 3.780 4.120 -0.000 0.000 0.253 585 V C 2.280 178.554 176.094 0.299 0.000 1.074 585 V CA 2.614 65.023 62.300 0.182 0.000 1.076 585 V CB -1.678 30.168 31.823 0.037 0.000 0.664 585 V HN 0.685 nan 8.190 nan 0.000 0.461 586 A N -0.489 122.447 122.820 0.194 0.000 2.070 586 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 586 A C 2.110 179.799 177.584 0.176 0.000 1.159 586 A CA 1.556 53.687 52.037 0.157 0.000 0.656 586 A CB -0.411 18.644 19.000 0.092 0.000 0.800 586 A HN 0.662 nan 8.150 nan 0.000 0.453 587 E N -1.402 118.901 120.200 0.171 0.000 2.482 587 E HA 0.037 4.387 4.350 -0.000 0.000 0.196 587 E C -0.665 175.957 176.600 0.035 0.000 1.047 587 E CA -0.145 56.285 56.400 0.049 0.000 0.869 587 E CB -0.006 29.546 29.700 -0.246 0.000 0.836 587 E HN 0.650 nan 8.360 nan 0.000 0.520 588 F N 0.853 120.883 119.950 0.133 0.000 2.378 588 F HA 0.381 4.908 4.527 -0.000 0.000 0.325 588 F C 0.807 176.664 175.800 0.094 0.000 1.097 588 F CA -1.204 56.883 58.000 0.145 0.000 1.079 588 F CB 0.528 39.621 39.000 0.154 0.000 1.240 588 F HN -0.208 nan 8.300 nan 0.000 0.519 589 A N 2.001 124.965 122.820 0.240 0.000 2.531 589 A HA 0.125 4.445 4.320 -0.000 0.000 0.236 589 A C 1.406 179.075 177.584 0.141 0.000 1.062 589 A CA -0.448 51.667 52.037 0.130 0.000 0.760 589 A CB 0.218 19.254 19.000 0.059 0.000 0.995 589 A HN 0.818 nan 8.150 nan 0.000 0.501 590 Q N 3.270 123.129 119.800 0.099 0.000 2.077 590 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 590 Q C 1.853 177.898 176.000 0.075 0.000 0.989 590 Q CA 2.832 58.686 55.803 0.084 0.000 0.853 590 Q CB -1.827 26.948 28.738 0.062 0.000 0.907 590 Q HN 1.087 nan 8.270 nan 0.000 0.418 591 S N 1.786 117.525 115.700 0.064 0.000 2.374 591 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 591 S C 2.167 176.808 174.600 0.070 0.000 1.037 591 S CA 1.767 60.001 58.200 0.057 0.000 1.024 591 S CB -0.943 62.284 63.200 0.045 0.000 0.861 591 S HN 0.663 nan 8.310 nan 0.000 0.456 592 I N -1.850 118.778 120.570 0.097 0.000 3.783 592 I HA 0.199 4.369 4.170 -0.000 0.000 0.310 592 I C 2.236 178.404 176.117 0.084 0.000 1.274 592 I CA 0.029 61.394 61.300 0.108 0.000 1.294 592 I CB -0.569 37.528 38.000 0.163 0.000 1.051 592 I HN 0.141 nan 8.210 nan 0.000 0.435 593 Q N 2.099 121.955 119.800 0.093 0.000 2.344 593 Q HA -0.211 4.129 4.340 -0.000 0.000 0.212 593 Q C 2.389 178.394 176.000 0.009 0.000 0.991 593 Q CA 2.350 58.186 55.803 0.055 0.000 0.897 593 Q CB -0.124 28.666 28.738 0.087 0.000 0.915 593 Q HN 0.836 nan 8.270 nan 0.000 0.438 594 S N -0.002 115.714 115.700 0.027 0.000 2.377 594 S HA -0.078 4.392 4.470 -0.000 0.000 0.223 594 S C 1.708 176.321 174.600 0.021 0.000 1.030 594 S CA 0.419 58.630 58.200 0.018 0.000 0.970 594 S CB -0.177 63.038 63.200 0.025 0.000 0.830 594 S HN 0.316 nan 8.310 nan 0.000 0.473 595 R N 0.607 121.138 120.500 0.051 0.000 2.115 595 R HA 0.107 4.447 4.340 -0.000 0.000 0.230 595 R C 1.994 178.374 176.300 0.134 0.000 1.111 595 R CA 1.158 57.327 56.100 0.114 0.000 0.976 595 R CB -0.510 29.889 30.300 0.165 0.000 0.870 595 R HN 0.381 nan 8.270 nan 0.000 0.445 596 I N 0.494 121.055 120.570 -0.014 0.000 2.394 596 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 596 I C 2.269 178.339 176.117 -0.079 0.000 1.136 596 I CA 1.204 62.403 61.300 -0.168 0.000 1.425 596 I CB -0.789 36.852 38.000 -0.597 0.000 1.079 596 I HN -0.050 nan 8.210 nan 0.000 0.425 597 V N 0.727 120.609 119.914 -0.054 0.000 2.453 597 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 597 V C 2.540 178.620 176.094 -0.024 0.000 1.048 597 V CA 1.608 63.884 62.300 -0.039 0.000 1.049 597 V CB -0.600 31.204 31.823 -0.032 0.000 0.672 597 V HN 0.445 nan 8.190 nan 0.000 0.457 598 E N -0.885 119.305 120.200 -0.017 0.000 2.077 598 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 598 E C 2.029 178.542 176.600 -0.145 0.000 0.989 598 E CA 1.859 58.207 56.400 -0.087 0.000 0.800 598 E CB -0.165 29.476 29.700 -0.097 0.000 0.746 598 E HN 0.717 nan 8.360 nan 0.000 0.452 599 W N 0.799 122.070 121.300 -0.048 0.000 2.476 599 W HA 0.080 4.740 4.660 -0.000 0.000 0.281 599 W C 2.306 178.810 176.519 -0.024 0.000 1.230 599 W CA 0.470 57.796 57.345 -0.031 0.000 1.287 599 W CB 0.251 29.686 29.460 -0.042 0.000 1.108 599 W HN -0.008 nan 8.180 nan 0.000 0.567 600 K N 0.336 120.821 120.400 0.141 0.000 2.148 600 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 600 K C 1.603 178.222 176.600 0.031 0.000 1.050 600 K CA 1.435 57.758 56.287 0.061 0.000 0.942 600 K CB -0.125 32.357 32.500 -0.030 0.000 0.724 600 K HN 0.240 nan 8.250 nan 0.000 0.446 601 E N 0.331 120.531 120.200 -0.001 0.000 2.107 601 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 601 E C 1.954 178.548 176.600 -0.010 0.000 0.982 601 E CA 1.002 57.389 56.400 -0.022 0.000 0.809 601 E CB 0.050 29.720 29.700 -0.049 0.000 0.756 601 E HN 0.261 nan 8.360 nan 0.000 0.459 602 R N 0.669 121.145 120.500 -0.040 0.000 2.148 602 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 602 R C 1.891 178.243 176.300 0.086 0.000 1.088 602 R CA 0.807 56.877 56.100 -0.050 0.000 0.985 602 R CB -0.425 29.739 30.300 -0.227 0.000 0.880 602 R HN 0.036 nan 8.270 nan 0.000 0.451 603 L N 1.096 122.429 121.223 0.183 0.000 2.156 603 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 603 L C 1.007 178.128 176.870 0.418 0.000 1.095 603 L CA 1.762 56.810 54.840 0.346 0.000 0.770 603 L CB -0.357 41.939 42.059 0.396 0.000 0.914 603 L HN 0.178 nan 8.230 nan 0.000 0.439 604 D N -0.853 119.691 120.400 0.239 0.000 2.277 604 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 604 D C 2.042 178.420 176.300 0.130 0.000 0.962 604 D CA 0.735 54.843 54.000 0.180 0.000 0.865 604 D CB 0.077 40.894 40.800 0.027 0.000 0.939 604 D HN 0.454 nan 8.370 nan 0.000 0.510 605 K N 0.652 121.105 120.400 0.087 0.000 2.296 605 K HA 0.041 4.361 4.320 -0.000 0.000 0.200 605 K C 1.357 177.961 176.600 0.007 0.000 1.048 605 K CA 0.901 57.206 56.287 0.030 0.000 0.966 605 K CB 0.167 32.666 32.500 -0.002 0.000 0.754 605 K HN -0.006 nan 8.250 nan 0.000 0.466 606 E N -0.404 119.821 120.200 0.042 0.000 2.447 606 E HA 0.140 4.490 4.350 -0.000 0.000 0.204 606 E C -0.757 175.585 176.600 -0.430 0.000 0.977 606 E CA -0.019 56.290 56.400 -0.152 0.000 0.950 606 E CB 0.436 30.082 29.700 -0.091 0.000 0.975 606 E HN 0.144 nan 8.360 nan 0.000 0.496 607 F N 1.048 121.060 119.950 0.103 0.000 2.612 607 F HA 0.186 4.713 4.527 -0.000 0.000 0.332 607 F C 0.213 176.157 175.800 0.239 0.000 1.167 607 F CA -1.064 57.016 58.000 0.134 0.000 0.970 607 F CB 1.615 40.643 39.000 0.046 0.000 1.234 607 F HN -0.212 nan 8.300 nan 0.000 0.453 608 S N 2.832 118.707 115.700 0.293 0.000 2.632 608 S HA 0.446 4.916 4.470 -0.000 0.000 0.267 608 S C 1.092 175.900 174.600 0.347 0.000 1.276 608 S CA -0.805 57.542 58.200 0.246 0.000 0.998 608 S CB 0.978 64.257 63.200 0.131 0.000 0.953 608 S HN 0.681 nan 8.310 nan 0.000 0.547 609 L N 1.213 122.602 121.223 0.278 0.000 2.187 609 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 609 L C 2.745 179.784 176.870 0.281 0.000 1.100 609 L CA 1.030 56.061 54.840 0.319 0.000 0.765 609 L CB -0.992 41.171 42.059 0.173 0.000 0.904 609 L HN 0.733 nan 8.230 nan 0.000 0.437 610 S N 0.210 116.025 115.700 0.192 0.000 2.343 610 S HA -0.168 4.302 4.470 -0.000 0.000 0.219 610 S C 2.090 176.784 174.600 0.156 0.000 1.033 610 S CA 1.586 59.868 58.200 0.136 0.000 1.014 610 S CB -0.430 62.822 63.200 0.086 0.000 0.915 610 S HN 0.433 nan 8.310 nan 0.000 0.435 611 V N -0.360 119.664 119.914 0.183 0.000 2.332 611 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 611 V C 1.951 178.180 176.094 0.225 0.000 1.055 611 V CA 1.914 64.326 62.300 0.188 0.000 1.038 611 V CB -1.282 30.660 31.823 0.198 0.000 0.651 611 V HN 0.502 nan 8.190 nan 0.000 0.450 612 Y N 1.784 122.176 120.300 0.153 0.000 2.163 612 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 612 Y C 2.767 178.724 175.900 0.097 0.000 1.136 612 Y CA 2.297 60.432 58.100 0.057 0.000 1.147 612 Y CB -0.402 38.042 38.460 -0.026 0.000 0.987 612 Y HN 0.316 nan 8.280 nan 0.000 0.509 613 Q N 0.105 120.014 119.800 0.181 0.000 2.135 613 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 613 Q C 2.264 178.294 176.000 0.049 0.000 0.981 613 Q CA 1.759 57.620 55.803 0.097 0.000 0.856 613 Q CB -0.229 28.595 28.738 0.144 0.000 0.902 613 Q HN 0.437 nan 8.270 nan 0.000 0.425 614 K N 0.846 121.285 120.400 0.065 0.000 2.057 614 K HA -0.117 4.202 4.320 -0.000 0.000 0.206 614 K C 2.084 178.756 176.600 0.119 0.000 1.050 614 K CA 1.004 57.360 56.287 0.114 0.000 0.935 614 K CB 0.005 32.562 32.500 0.094 0.000 0.715 614 K HN 0.179 nan 8.250 nan 0.000 0.439 615 M N 0.824 120.431 119.600 0.011 0.000 2.082 615 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 615 M C 2.113 178.373 176.300 -0.066 0.000 1.069 615 M CA 1.715 56.996 55.300 -0.032 0.000 1.102 615 M CB -0.238 32.287 32.600 -0.127 0.000 1.336 615 M HN 0.048 nan 8.290 nan 0.000 0.404 616 K N -0.547 119.750 120.400 -0.173 0.000 2.148 616 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 616 K C 1.851 178.442 176.600 -0.014 0.000 1.050 616 K CA 1.241 57.459 56.287 -0.115 0.000 0.942 616 K CB -0.396 32.028 32.500 -0.126 0.000 0.724 616 K HN 0.236 nan 8.250 nan 0.000 0.446 617 F N 3.118 123.010 119.950 -0.098 0.000 2.113 617 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 617 F C 1.829 177.582 175.800 -0.079 0.000 1.103 617 F CA 1.359 59.309 58.000 -0.083 0.000 1.248 617 F CB -0.353 38.619 39.000 -0.046 0.000 0.999 617 F HN 0.023 nan 8.300 nan 0.000 0.475 618 N N 0.428 119.113 118.700 -0.026 0.000 2.149 618 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 618 N C 2.058 177.504 175.510 -0.106 0.000 1.019 618 N CA 1.650 54.648 53.050 -0.087 0.000 0.857 618 N CB -0.708 37.808 38.487 0.049 0.000 0.997 618 N HN 0.253 nan 8.380 nan 0.000 0.426 619 V N 1.431 121.307 119.914 -0.063 0.000 2.307 619 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 619 V C 2.417 178.409 176.094 -0.170 0.000 1.045 619 V CA 1.706 64.008 62.300 0.004 0.000 1.024 619 V CB -0.978 30.870 31.823 0.043 0.000 0.651 619 V HN 0.281 nan 8.190 nan 0.000 0.449 620 A N -0.632 121.921 122.820 -0.445 0.000 2.019 620 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 620 A C 2.152 179.317 177.584 -0.697 0.000 1.164 620 A CA 1.816 53.315 52.037 -0.898 0.000 0.644 620 A CB -0.361 18.261 19.000 -0.629 0.000 0.805 620 A HN 0.433 nan 8.150 nan 0.000 0.449 621 M N -2.031 117.260 119.600 -0.515 0.000 2.476 621 M HA 0.150 4.630 4.480 -0.000 0.000 0.262 621 M C 1.455 177.660 176.300 -0.158 0.000 1.111 621 M CA 1.052 56.117 55.300 -0.391 0.000 1.127 621 M CB -0.907 31.385 32.600 -0.513 0.000 1.376 621 M HN 0.806 nan 8.290 nan 0.000 0.465 622 G N 1.200 109.967 108.800 -0.056 0.000 2.171 622 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.238 622 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.238 622 G C 0.721 175.656 174.900 0.059 0.000 1.039 622 G CA 0.327 45.480 45.100 0.089 0.000 0.759 622 G HN 0.471 nan 8.290 nan 0.000 0.501 623 I N -0.465 120.113 120.570 0.014 0.000 2.385 623 I HA 0.369 4.539 4.170 -0.000 0.000 0.244 623 I C 1.891 178.048 176.117 0.066 0.000 1.089 623 I CA 1.268 62.585 61.300 0.029 0.000 1.410 623 I CB 0.139 38.144 38.000 0.007 0.000 1.117 623 I HN 0.865 nan 8.210 nan 0.000 0.429 624 G N 0.277 109.126 108.800 0.082 0.000 2.519 624 G HA2 0.035 3.995 3.960 -0.000 0.000 0.229 624 G HA3 0.035 3.995 3.960 -0.000 0.000 0.229 624 G C 0.472 175.459 174.900 0.145 0.000 1.333 624 G CA -0.210 44.954 45.100 0.107 0.000 0.939 624 G HN -0.026 nan 8.290 nan 0.000 0.501 625 V N -0.051 119.945 119.914 0.137 0.000 0.670 625 V HA -0.487 3.633 4.120 -0.000 0.000 0.092 625 V C 2.736 178.922 176.094 0.154 0.000 1.222 625 V CA 2.833 65.224 62.300 0.151 0.000 3.193 625 V CB -1.518 30.428 31.823 0.204 0.000 0.429 625 V HN 0.565 nan 8.190 nan 0.000 0.411 626 L N 0.082 121.427 121.223 0.202 0.000 2.450 626 L HA 0.028 4.368 4.340 -0.000 0.000 0.224 626 L C 0.943 177.876 176.870 0.106 0.000 1.149 626 L CA 1.608 56.534 54.840 0.144 0.000 0.816 626 L CB -0.311 41.811 42.059 0.104 0.000 0.932 626 L HN 0.755 nan 8.230 nan 0.000 0.449 627 D N 0.000 120.467 120.400 0.111 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 54.053 54.000 0.089 0.000 0.868 627 D CB 0.000 40.844 40.800 0.073 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683