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 3o24_1_A DATA FIRST_RESID 3 DATA SEQUENCE PAPPDQKPCH QLQPAPYRAL SESILFGSVD EERWWHSTAP ILSRLLISSN DATA SEQUENCE YDVDVQYKYL SLYRHLVLPA LGPYPQRDPE TGIIATQWRS GMVLTGLPIE DATA SEQUENCE FSNNVARALI RIGVDPVTAD SGTAQDPFNT TRPKVYLETA ARLLPGVDLT DATA SEQUENCE RFYEFETELV ITKAEEAVLQ ANPDLFRSPW KSQILTAMDL QKSGTVLVKA DATA SEQUENCE YFYPQPKSAV TGRSTEDLLV NAIRKVDREG RFETQLANLQ RYIERRRRXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XCSFFPHFLS TDLVEPGKSR VKFYASERHV DATA SEQUENCE NLQMVEDIWT FGGLRRDPDA LRGLELLRHF WADIQMREGY YTMPRGFCEL DATA SEQUENCE GKSSXGFEAP MMFHFHLDGS QSPFPDPQMY VCVFGMNSRK LVEGLTTFYR DATA SEQUENCE RVGWEEMASH YQANFLANYP DEDFEKAAHL CAYVSFAYKN GGAYVTLYNH DATA SEQUENCE SFNP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.329 177.300 0.048 0.000 1.155 3 P CA 0.000 63.138 63.100 0.064 0.000 0.800 3 P CB 0.000 31.759 31.700 0.099 0.000 0.726 4 A N 4.879 127.704 122.820 0.008 0.000 2.488 4 A HA 0.584 5.042 4.320 0.231 0.000 0.249 4 A C -1.609 175.936 177.584 -0.066 0.000 1.083 4 A CA -0.672 51.357 52.037 -0.014 0.000 0.768 4 A CB -0.311 18.671 19.000 -0.030 0.000 1.017 4 A HN 0.452 nan 8.150 nan 0.000 0.496 5 P HA 0.252 nan 4.420 nan 0.000 0.271 5 P C -2.694 174.445 177.300 -0.267 0.000 1.218 5 P CA -1.012 62.016 63.100 -0.120 0.000 0.780 5 P CB -0.091 31.645 31.700 0.061 0.000 0.901 6 P HA 0.143 nan 4.420 nan 0.000 0.275 6 P C -0.431 176.709 177.300 -0.266 0.000 1.227 6 P CA 0.048 62.877 63.100 -0.452 0.000 0.781 6 P CB 0.564 31.843 31.700 -0.702 0.000 0.906 7 D N 1.814 122.091 120.400 -0.204 0.000 2.372 7 D HA 0.222 5.000 4.640 0.231 0.000 0.243 7 D C 0.158 176.399 176.300 -0.099 0.000 1.121 7 D CA 0.759 54.683 54.000 -0.127 0.000 0.898 7 D CB 0.380 41.104 40.800 -0.125 0.000 1.202 7 D HN 0.273 nan 8.370 nan 0.000 0.428 8 Q N 1.507 121.289 119.800 -0.031 0.000 2.567 8 Q HA 0.162 4.641 4.340 0.231 0.000 0.233 8 Q C -1.490 174.498 176.000 -0.021 0.000 0.833 8 Q CA -0.682 55.132 55.803 0.019 0.000 0.844 8 Q CB 0.785 29.585 28.738 0.103 0.000 1.423 8 Q HN 0.055 nan 8.270 nan 0.000 0.442 9 K N 3.670 124.003 120.400 -0.112 0.000 2.118 9 K HA 0.583 5.041 4.320 0.231 0.000 0.267 9 K C -2.475 173.955 176.600 -0.283 0.000 0.991 9 K CA -2.034 54.105 56.287 -0.245 0.000 0.916 9 K CB 0.866 33.264 32.500 -0.171 0.000 1.041 9 K HN 0.440 nan 8.250 nan 0.000 0.455 10 P HA 0.133 nan 4.420 nan 0.000 0.279 10 P C -0.503 176.529 177.300 -0.446 0.000 1.239 10 P CA -0.443 62.401 63.100 -0.427 0.000 0.789 10 P CB 0.709 32.169 31.700 -0.401 0.000 0.933 11 C N 4.993 123.954 119.300 -0.566 0.000 3.102 11 C HA 0.318 4.916 4.460 0.231 0.000 0.363 11 C C 0.515 175.288 174.990 -0.361 0.000 1.048 11 C CA -0.282 58.500 59.018 -0.394 0.000 1.330 11 C CB -0.849 26.759 27.740 -0.220 0.000 1.771 11 C HN 0.651 nan 8.230 nan 0.000 0.526 12 H N 1.628 120.655 119.070 -0.071 0.000 2.652 12 H HA 0.184 4.878 4.556 0.231 0.000 0.274 12 H C 0.589 175.874 175.328 -0.071 0.000 1.021 12 H CA 0.114 56.118 56.048 -0.073 0.000 1.187 12 H CB 0.220 29.954 29.762 -0.047 0.000 1.505 12 H HN 0.689 nan 8.280 nan 0.000 0.530 13 Q N 1.033 120.833 119.800 -0.001 0.000 2.300 13 Q HA 0.022 4.500 4.340 0.231 0.000 0.280 13 Q C 1.193 177.175 176.000 -0.030 0.000 1.033 13 Q CA -0.100 55.699 55.803 -0.006 0.000 0.903 13 Q CB 1.588 30.315 28.738 -0.019 0.000 1.195 13 Q HN 0.288 nan 8.270 nan 0.000 0.386 14 L N 2.074 123.288 121.223 -0.016 0.000 2.217 14 L HA -0.140 4.339 4.340 0.231 0.000 0.211 14 L C 0.287 177.130 176.870 -0.043 0.000 1.107 14 L CA 1.335 56.151 54.840 -0.041 0.000 0.783 14 L CB 0.333 42.381 42.059 -0.018 0.000 0.919 14 L HN 0.666 nan 8.230 nan 0.000 0.442 15 Q N 0.050 119.866 119.800 0.027 0.000 2.771 15 Q HA 0.296 4.774 4.340 0.231 0.000 0.247 15 Q C -2.369 173.720 176.000 0.148 0.000 0.986 15 Q CA -1.957 53.935 55.803 0.148 0.000 0.713 15 Q CB 1.516 30.398 28.738 0.239 0.000 1.241 15 Q HN 0.025 nan 8.270 nan 0.000 0.488 16 P HA -0.001 nan 4.420 nan 0.000 0.269 16 P C 0.219 177.584 177.300 0.108 0.000 1.215 16 P CA 0.142 63.269 63.100 0.045 0.000 0.780 16 P CB 0.934 32.610 31.700 -0.041 0.000 0.898 17 A N 4.561 127.418 122.820 0.061 0.000 1.902 17 A HA -0.108 4.351 4.320 0.231 0.000 0.217 17 A C -0.503 177.153 177.584 0.120 0.000 1.181 17 A CA 1.859 53.948 52.037 0.087 0.000 0.623 17 A CB -2.426 16.620 19.000 0.077 0.000 0.818 17 A HN 0.480 nan 8.150 nan 0.000 0.443 18 P HA -0.175 nan 4.420 nan 0.000 0.216 18 P C 1.528 178.906 177.300 0.129 0.000 1.153 18 P CA 1.286 64.348 63.100 -0.064 0.000 0.848 18 P CB -0.219 31.103 31.700 -0.629 0.000 0.787 19 Y N 1.087 121.396 120.300 0.015 0.000 2.181 19 Y HA -0.175 4.515 4.550 0.233 0.000 0.288 19 Y C 2.231 178.286 175.900 0.258 0.000 1.146 19 Y CA 1.540 59.703 58.100 0.105 0.000 1.164 19 Y CB -0.596 37.807 38.460 -0.094 0.000 0.982 19 Y HN -0.238 nan 8.280 nan 0.000 0.515 20 R N 0.209 120.637 120.500 -0.121 0.000 2.066 20 R HA -0.106 4.373 4.340 0.231 0.000 0.232 20 R C 2.596 178.885 176.300 -0.018 0.000 1.131 20 R CA 1.161 57.168 56.100 -0.155 0.000 0.955 20 R CB -0.741 29.565 30.300 0.010 0.000 0.851 20 R HN 0.474 nan 8.270 nan 0.000 0.432 21 A N 1.326 124.202 122.820 0.093 0.000 1.883 21 A HA -0.158 4.301 4.320 0.231 0.000 0.217 21 A C 2.201 179.852 177.584 0.111 0.000 1.186 21 A CA 1.305 53.416 52.037 0.123 0.000 0.624 21 A CB -0.562 18.571 19.000 0.223 0.000 0.822 21 A HN 0.176 nan 8.150 nan 0.000 0.444 22 L N -0.801 120.539 121.223 0.194 0.000 2.072 22 L HA -0.123 4.355 4.340 0.231 0.000 0.205 22 L C 2.856 179.725 176.870 -0.002 0.000 1.079 22 L CA 1.319 56.237 54.840 0.130 0.000 0.752 22 L CB -0.443 41.795 42.059 0.298 0.000 0.906 22 L HN 0.306 nan 8.230 nan 0.000 0.436 23 S N -0.176 115.583 115.700 0.098 0.000 2.387 23 S HA -0.226 4.383 4.470 0.231 0.000 0.230 23 S C 1.603 176.235 174.600 0.053 0.000 1.035 23 S CA 1.451 59.719 58.200 0.114 0.000 1.014 23 S CB -0.279 62.968 63.200 0.078 0.000 0.836 23 S HN 0.475 nan 8.310 nan 0.000 0.466 24 E N 0.548 120.756 120.200 0.014 0.000 2.502 24 E HA 0.043 4.532 4.350 0.231 0.000 0.194 24 E C 1.633 178.216 176.600 -0.028 0.000 1.062 24 E CA 0.594 56.998 56.400 0.007 0.000 0.867 24 E CB 0.154 29.859 29.700 0.007 0.000 0.888 24 E HN 0.587 nan 8.360 nan 0.000 0.510 25 S N -0.572 115.086 115.700 -0.071 0.000 2.593 25 S HA 0.177 4.786 4.470 0.231 0.000 0.235 25 S C 0.612 175.099 174.600 -0.188 0.000 1.059 25 S CA -0.475 57.662 58.200 -0.104 0.000 0.953 25 S CB 0.212 63.359 63.200 -0.088 0.000 0.897 25 S HN -0.008 nan 8.310 nan 0.000 0.507 26 I N 2.775 123.163 120.570 -0.304 0.000 2.441 26 I HA 0.310 4.619 4.170 0.231 0.000 0.287 26 I C -0.573 175.258 176.117 -0.477 0.000 1.049 26 I CA -0.498 60.468 61.300 -0.556 0.000 1.381 26 I CB 1.224 38.582 38.000 -1.070 0.000 1.409 26 I HN 0.182 nan 8.210 nan 0.000 0.523 27 L N 6.835 127.798 121.223 -0.433 0.000 2.272 27 L HA 0.425 4.904 4.340 0.231 0.000 0.289 27 L C -0.811 175.839 176.870 -0.366 0.000 1.032 27 L CA -0.390 54.289 54.840 -0.267 0.000 0.810 27 L CB 0.686 42.658 42.059 -0.145 0.000 1.205 27 L HN 0.392 nan 8.230 nan 0.000 0.422 28 F N 0.866 120.750 119.950 -0.109 0.000 2.410 28 F HA 0.315 5.025 4.527 0.306 0.000 0.349 28 F C 1.337 177.103 175.800 -0.057 0.000 1.117 28 F CA -0.389 57.551 58.000 -0.100 0.000 1.104 28 F CB 1.534 40.485 39.000 -0.081 0.000 1.122 28 F HN 0.520 nan 8.300 nan 0.000 0.483 29 G N 1.013 109.875 108.800 0.104 0.000 3.181 29 G HA2 0.173 4.272 3.960 0.231 0.000 0.219 29 G HA3 0.173 4.272 3.960 0.231 0.000 0.219 29 G C -0.014 174.935 174.900 0.082 0.000 1.182 29 G CA 0.193 45.332 45.100 0.065 0.000 0.791 29 G HN 0.523 nan 8.290 nan 0.000 0.537 30 S N -1.183 114.591 115.700 0.123 0.000 2.566 30 S HA 0.296 4.905 4.470 0.231 0.000 0.273 30 S C 0.984 175.620 174.600 0.060 0.000 1.157 30 S CA -0.558 57.696 58.200 0.090 0.000 0.938 30 S CB 1.596 64.856 63.200 0.101 0.000 1.087 30 S HN -0.069 nan 8.310 nan 0.000 0.474 31 V N 3.711 123.635 119.914 0.017 0.000 2.407 31 V HA -0.092 4.166 4.120 0.231 0.000 0.248 31 V C 2.087 178.129 176.094 -0.086 0.000 1.055 31 V CA 2.030 64.300 62.300 -0.050 0.000 1.049 31 V CB -0.607 31.189 31.823 -0.047 0.000 0.662 31 V HN 0.837 nan 8.190 nan 0.000 0.455 32 D N 0.198 120.604 120.400 0.010 0.000 2.104 32 D HA -0.180 4.599 4.640 0.231 0.000 0.194 32 D C 2.217 178.642 176.300 0.207 0.000 0.994 32 D CA 1.480 55.535 54.000 0.093 0.000 0.830 32 D CB -0.168 40.766 40.800 0.223 0.000 0.959 32 D HN 0.567 nan 8.370 nan 0.000 0.452 33 E N 0.565 120.883 120.200 0.196 0.000 2.118 33 E HA -0.194 4.295 4.350 0.231 0.000 0.195 33 E C 2.024 178.574 176.600 -0.083 0.000 0.992 33 E CA 0.699 57.232 56.400 0.221 0.000 0.804 33 E CB -0.024 29.830 29.700 0.257 0.000 0.741 33 E HN 0.385 nan 8.360 nan 0.000 0.458 34 E N 0.862 120.760 120.200 -0.504 0.000 2.072 34 E HA -0.177 4.311 4.350 0.231 0.000 0.191 34 E C 2.096 178.466 176.600 -0.384 0.000 0.985 34 E CA 0.865 56.624 56.400 -1.068 0.000 0.801 34 E CB 0.172 29.410 29.700 -0.769 0.000 0.750 34 E HN 0.114 nan 8.360 nan 0.000 0.452 35 R N -0.631 119.681 120.500 -0.314 0.000 2.073 35 R HA -0.089 4.390 4.340 0.231 0.000 0.229 35 R C 2.136 178.377 176.300 -0.097 0.000 1.120 35 R CA 1.435 57.248 56.100 -0.479 0.000 0.967 35 R CB -0.400 29.098 30.300 -1.336 0.000 0.862 35 R HN 0.296 nan 8.270 nan 0.000 0.436 36 W N 0.716 122.135 121.300 0.198 0.000 2.302 36 W HA -0.294 4.501 4.660 0.225 0.000 0.320 36 W C 2.342 179.060 176.519 0.331 0.000 1.241 36 W CA 0.785 58.374 57.345 0.407 0.000 1.264 36 W CB -0.506 29.135 29.460 0.302 0.000 1.154 36 W HN 0.299 nan 8.180 nan 0.000 0.483 37 W N 0.399 121.872 121.300 0.288 0.000 2.317 37 W HA -0.284 4.568 4.660 0.319 0.000 0.318 37 W C 1.990 178.605 176.519 0.160 0.000 1.227 37 W CA 2.167 59.642 57.345 0.217 0.000 1.269 37 W CB -0.989 28.487 29.460 0.028 0.000 1.155 37 W HN 0.056 nan 8.180 nan 0.000 0.484 38 H N -0.217 119.014 119.070 0.269 0.000 2.491 38 H HA -0.027 4.675 4.556 0.242 0.000 0.290 38 H C 2.330 177.627 175.328 -0.052 0.000 1.050 38 H CA 1.545 57.660 56.048 0.111 0.000 1.309 38 H CB -0.359 29.492 29.762 0.149 0.000 1.392 38 H HN 0.116 nan 8.280 nan 0.000 0.554 39 S N -0.464 115.297 115.700 0.102 0.000 2.501 39 S HA -0.041 4.567 4.470 0.231 0.000 0.220 39 S C 2.038 176.603 174.600 -0.060 0.000 0.997 39 S CA 1.070 59.222 58.200 -0.081 0.000 0.919 39 S CB 0.305 63.414 63.200 -0.151 0.000 0.778 39 S HN 0.706 nan 8.310 nan 0.000 0.523 40 T N -2.043 112.564 114.554 0.088 0.000 3.010 40 T HA 0.406 4.894 4.350 0.231 0.000 0.252 40 T C 1.863 176.492 174.700 -0.117 0.000 0.963 40 T CA 0.498 62.701 62.100 0.172 0.000 0.952 40 T CB -0.298 68.884 68.868 0.523 0.000 1.182 40 T HN 0.143 nan 8.240 nan 0.000 0.495 41 A N 2.988 125.589 122.820 -0.365 0.000 1.933 41 A HA 0.176 4.635 4.320 0.231 0.000 0.218 41 A C 0.108 177.234 177.584 -0.763 0.000 1.175 41 A CA 1.319 52.908 52.037 -0.746 0.000 0.628 41 A CB -1.586 16.502 19.000 -1.520 0.000 0.814 41 A HN 0.490 nan 8.150 nan 0.000 0.444 42 P HA -0.126 nan 4.420 nan 0.000 0.216 42 P C 1.377 178.372 177.300 -0.509 0.000 1.153 42 P CA 0.907 63.523 63.100 -0.808 0.000 0.848 42 P CB -0.137 31.081 31.700 -0.802 0.000 0.787 43 I N -1.393 118.920 120.570 -0.427 0.000 2.179 43 I HA -0.221 4.087 4.170 0.231 0.000 0.242 43 I C 2.259 178.066 176.117 -0.517 0.000 1.088 43 I CA 1.034 62.116 61.300 -0.362 0.000 1.357 43 I CB -0.718 37.184 38.000 -0.164 0.000 1.051 43 I HN -0.073 nan 8.210 nan 0.000 0.409 44 L N 0.241 120.986 121.223 -0.797 0.000 2.042 44 L HA -0.220 4.258 4.340 0.231 0.000 0.210 44 L C 2.630 179.149 176.870 -0.585 0.000 1.076 44 L CA 1.987 56.219 54.840 -1.013 0.000 0.749 44 L CB -0.800 40.489 42.059 -1.284 0.000 0.893 44 L HN 0.162 nan 8.230 nan 0.000 0.432 45 S N -0.852 114.567 115.700 -0.469 0.000 2.356 45 S HA -0.181 4.428 4.470 0.231 0.000 0.223 45 S C 2.159 176.603 174.600 -0.261 0.000 1.032 45 S CA 1.201 59.211 58.200 -0.318 0.000 1.005 45 S CB -0.186 62.872 63.200 -0.237 0.000 0.867 45 S HN 0.522 nan 8.310 nan 0.000 0.449 46 R N 0.373 120.711 120.500 -0.270 0.000 2.083 46 R HA -0.040 4.439 4.340 0.231 0.000 0.237 46 R C 2.392 178.584 176.300 -0.181 0.000 1.137 46 R CA 1.673 57.645 56.100 -0.213 0.000 0.951 46 R CB -0.706 29.459 30.300 -0.226 0.000 0.851 46 R HN 0.410 nan 8.270 nan 0.000 0.434 47 L N 0.708 121.801 121.223 -0.217 0.000 2.042 47 L HA -0.221 4.258 4.340 0.231 0.000 0.210 47 L C 2.412 179.239 176.870 -0.071 0.000 1.076 47 L CA 1.297 56.054 54.840 -0.137 0.000 0.749 47 L CB -0.429 41.517 42.059 -0.189 0.000 0.893 47 L HN 0.215 nan 8.230 nan 0.000 0.432 48 L N -0.565 120.572 121.223 -0.143 0.000 2.109 48 L HA -0.176 4.302 4.340 0.231 0.000 0.207 48 L C 2.503 179.416 176.870 0.073 0.000 1.086 48 L CA 0.912 55.714 54.840 -0.064 0.000 0.760 48 L CB -0.375 41.535 42.059 -0.248 0.000 0.910 48 L HN 0.357 nan 8.230 nan 0.000 0.437 49 I N -1.817 118.733 120.570 -0.033 0.000 2.584 49 I HA -0.106 4.202 4.170 0.231 0.000 0.255 49 I C 2.552 178.648 176.117 -0.035 0.000 1.145 49 I CA 1.445 62.728 61.300 -0.029 0.000 1.462 49 I CB -0.440 37.515 38.000 -0.075 0.000 1.102 49 I HN 0.144 nan 8.210 nan 0.000 0.433 50 S N 0.356 116.026 115.700 -0.050 0.000 2.382 50 S HA -0.116 4.492 4.470 0.231 0.000 0.228 50 S C 1.893 176.486 174.600 -0.011 0.000 1.027 50 S CA 1.414 59.584 58.200 -0.050 0.000 0.991 50 S CB -1.279 61.894 63.200 -0.046 0.000 0.823 50 S HN 0.519 nan 8.310 nan 0.000 0.469 51 S N 2.049 117.773 115.700 0.039 0.000 2.607 51 S HA 0.155 4.763 4.470 0.231 0.000 0.224 51 S C 0.577 175.135 174.600 -0.071 0.000 0.969 51 S CA 0.425 58.634 58.200 0.015 0.000 0.927 51 S CB -0.827 62.450 63.200 0.127 0.000 0.772 51 S HN 0.666 nan 8.310 nan 0.000 0.533 52 N N 0.622 119.309 118.700 -0.021 0.000 2.756 52 N HA -0.200 4.679 4.740 0.231 0.000 0.248 52 N C -1.165 174.301 175.510 -0.074 0.000 1.062 52 N CA 0.341 53.359 53.050 -0.052 0.000 0.696 52 N CB -2.017 36.415 38.487 -0.090 0.000 0.946 52 N HN 0.399 nan 8.380 nan 0.000 0.548 53 Y N 0.482 120.761 120.300 -0.035 0.000 2.336 53 Y HA 0.173 4.867 4.550 0.239 0.000 0.331 53 Y C 1.273 177.151 175.900 -0.036 0.000 1.211 53 Y CA -0.190 57.898 58.100 -0.020 0.000 1.346 53 Y CB 0.495 38.958 38.460 0.005 0.000 1.271 53 Y HN 0.157 nan 8.280 nan 0.000 0.538 54 D N 0.886 121.360 120.400 0.122 0.000 2.400 54 D HA -0.022 4.757 4.640 0.231 0.000 0.238 54 D C 1.120 177.454 176.300 0.057 0.000 1.157 54 D CA 0.108 54.144 54.000 0.060 0.000 0.889 54 D CB 1.201 42.023 40.800 0.036 0.000 1.199 54 D HN 0.330 nan 8.370 nan 0.000 0.436 55 V N 1.815 121.762 119.914 0.056 0.000 2.287 55 V HA -0.254 4.005 4.120 0.231 0.000 0.248 55 V C 1.701 177.894 176.094 0.164 0.000 1.053 55 V CA 1.716 64.072 62.300 0.094 0.000 1.027 55 V CB -0.324 31.582 31.823 0.138 0.000 0.646 55 V HN 0.484 nan 8.190 nan 0.000 0.447 56 D N 0.126 120.593 120.400 0.111 0.000 2.123 56 D HA -0.138 4.641 4.640 0.231 0.000 0.196 56 D C 2.136 178.446 176.300 0.016 0.000 0.992 56 D CA 1.417 55.470 54.000 0.088 0.000 0.833 56 D CB -0.273 40.540 40.800 0.022 0.000 0.954 56 D HN 0.367 nan 8.370 nan 0.000 0.455 57 V N 0.874 120.748 119.914 -0.067 0.000 2.453 57 V HA -0.207 4.052 4.120 0.231 0.000 0.247 57 V C 2.459 178.327 176.094 -0.376 0.000 1.048 57 V CA 1.273 63.404 62.300 -0.282 0.000 1.049 57 V CB -0.504 31.205 31.823 -0.190 0.000 0.672 57 V HN 0.169 nan 8.190 nan 0.000 0.457 58 Q N -0.874 118.823 119.800 -0.172 0.000 2.077 58 Q HA -0.246 4.232 4.340 0.231 0.000 0.206 58 Q C 2.207 178.094 176.000 -0.187 0.000 0.989 58 Q CA 2.364 58.043 55.803 -0.206 0.000 0.853 58 Q CB -0.315 28.278 28.738 -0.242 0.000 0.907 58 Q HN 0.686 nan 8.270 nan 0.000 0.418 59 Y N 0.752 121.022 120.300 -0.050 0.000 2.263 59 Y HA -0.157 4.514 4.550 0.202 0.000 0.292 59 Y C 2.365 178.266 175.900 0.003 0.000 1.130 59 Y CA 1.115 59.218 58.100 0.005 0.000 1.179 59 Y CB -0.122 38.339 38.460 0.001 0.000 0.998 59 Y HN 0.014 nan 8.280 nan 0.000 0.532 60 K N -0.480 119.952 120.400 0.052 0.000 2.020 60 K HA -0.255 4.203 4.320 0.231 0.000 0.212 60 K C 1.679 178.346 176.600 0.111 0.000 1.050 60 K CA 2.083 58.363 56.287 -0.012 0.000 0.929 60 K CB -0.412 31.963 32.500 -0.208 0.000 0.714 60 K HN 0.248 nan 8.250 nan 0.000 0.443 61 Y N 0.757 121.084 120.300 0.045 0.000 2.286 61 Y HA -0.051 4.632 4.550 0.222 0.000 0.293 61 Y C 2.114 178.079 175.900 0.108 0.000 1.124 61 Y CA 0.555 58.673 58.100 0.029 0.000 1.178 61 Y CB -0.524 37.872 38.460 -0.107 0.000 1.010 61 Y HN 0.014 nan 8.280 nan 0.000 0.536 62 L N -1.224 120.149 121.223 0.249 0.000 2.083 62 L HA -0.212 4.266 4.340 0.231 0.000 0.209 62 L C 2.675 179.833 176.870 0.479 0.000 1.083 62 L CA 1.610 56.650 54.840 0.332 0.000 0.752 62 L CB -0.615 41.593 42.059 0.248 0.000 0.899 62 L HN 0.152 nan 8.230 nan 0.000 0.433 63 S N 0.061 115.981 115.700 0.367 0.000 2.368 63 S HA -0.188 4.420 4.470 0.231 0.000 0.225 63 S C 1.948 176.795 174.600 0.411 0.000 1.030 63 S CA 1.223 59.636 58.200 0.355 0.000 0.999 63 S CB -0.192 63.168 63.200 0.266 0.000 0.844 63 S HN 0.276 nan 8.310 nan 0.000 0.459 64 L N 0.709 122.130 121.223 0.331 0.000 2.046 64 L HA -0.017 4.461 4.340 0.231 0.000 0.208 64 L C 2.052 179.112 176.870 0.315 0.000 1.077 64 L CA 2.056 57.066 54.840 0.282 0.000 0.747 64 L CB -1.127 41.090 42.059 0.262 0.000 0.896 64 L HN 0.490 nan 8.230 nan 0.000 0.432 65 Y N 0.401 120.851 120.300 0.250 0.000 2.053 65 Y HA -0.332 4.349 4.550 0.218 0.000 0.277 65 Y C 2.929 179.007 175.900 0.295 0.000 1.159 65 Y CA 2.406 60.669 58.100 0.272 0.000 1.125 65 Y CB -0.459 38.181 38.460 0.300 0.000 0.969 65 Y HN 0.178 nan 8.280 nan 0.000 0.492 66 R N -0.426 120.285 120.500 0.352 0.000 2.096 66 R HA -0.227 4.252 4.340 0.231 0.000 0.240 66 R C 1.983 178.229 176.300 -0.089 0.000 1.139 66 R CA 2.594 58.743 56.100 0.081 0.000 0.952 66 R CB -0.868 29.340 30.300 -0.153 0.000 0.854 66 R HN 0.564 nan 8.270 nan 0.000 0.436 67 H N -0.813 118.266 119.070 0.015 0.000 2.355 67 H HA -0.024 4.452 4.556 -0.133 0.000 0.303 67 H C 1.575 176.888 175.328 -0.024 0.000 1.061 67 H CA 1.455 57.491 56.048 -0.020 0.000 1.368 67 H CB 0.028 29.779 29.762 -0.019 0.000 1.412 67 H HN 0.126 nan 8.280 nan 0.000 0.523 68 L N -0.310 120.979 121.223 0.109 0.000 2.221 68 L HA 0.058 4.537 4.340 0.231 0.000 0.202 68 L C 1.752 178.652 176.870 0.050 0.000 1.074 68 L CA 0.867 55.715 54.840 0.014 0.000 0.795 68 L CB -0.099 41.923 42.059 -0.062 0.000 0.960 68 L HN 0.065 nan 8.230 nan 0.000 0.458 69 V N -0.489 119.441 119.914 0.027 0.000 2.300 69 V HA -0.160 4.098 4.120 0.231 0.000 0.241 69 V C 2.493 178.479 176.094 -0.180 0.000 1.034 69 V CA 1.441 63.732 62.300 -0.015 0.000 1.021 69 V CB -0.516 31.237 31.823 -0.116 0.000 0.662 69 V HN 0.324 nan 8.190 nan 0.000 0.458 70 L N 0.429 121.482 121.223 -0.283 0.000 2.054 70 L HA -0.211 4.268 4.340 0.231 0.000 0.220 70 L C -0.071 176.747 176.870 -0.088 0.000 1.081 70 L CA 2.150 56.881 54.840 -0.181 0.000 0.780 70 L CB -2.065 39.998 42.059 0.008 0.000 0.893 70 L HN 0.403 nan 8.230 nan 0.000 0.438 71 P HA -0.049 nan 4.420 nan 0.000 0.225 71 P C 1.054 178.337 177.300 -0.028 0.000 1.156 71 P CA 1.224 64.327 63.100 0.006 0.000 0.787 71 P CB 0.037 31.750 31.700 0.022 0.000 0.802 72 A N -0.757 122.032 122.820 -0.052 0.000 2.208 72 A HA 0.056 4.514 4.320 0.231 0.000 0.209 72 A C 1.833 179.269 177.584 -0.247 0.000 1.161 72 A CA 0.570 52.550 52.037 -0.094 0.000 0.782 72 A CB -1.217 17.788 19.000 0.009 0.000 0.816 72 A HN 0.141 nan 8.150 nan 0.000 0.477 73 L N -1.325 119.689 121.223 -0.349 0.000 2.509 73 L HA 0.220 4.699 4.340 0.231 0.000 0.222 73 L C 1.628 178.342 176.870 -0.261 0.000 1.123 73 L CA 0.356 54.828 54.840 -0.614 0.000 0.856 73 L CB -0.858 40.342 42.059 -1.433 0.000 0.985 73 L HN 0.571 nan 8.230 nan 0.000 0.456 74 G N 0.739 109.516 108.800 -0.039 0.000 2.569 74 G HA2 -0.261 3.837 3.960 0.231 0.000 0.259 74 G HA3 -0.261 3.837 3.960 0.231 0.000 0.259 74 G C -2.488 172.643 174.900 0.384 0.000 1.263 74 G CA -0.821 44.350 45.100 0.118 0.000 0.928 74 G HN 0.108 nan 8.290 nan 0.000 0.572 75 P HA 0.272 nan 4.420 nan 0.000 0.265 75 P C -0.192 177.308 177.300 0.333 0.000 1.193 75 P CA 0.025 63.284 63.100 0.264 0.000 0.765 75 P CB 0.218 32.000 31.700 0.136 0.000 0.823 76 Y N 5.869 126.130 120.300 -0.066 0.000 2.578 76 Y HA 0.140 4.828 4.550 0.230 0.000 0.339 76 Y C -1.918 173.775 175.900 -0.344 0.000 1.231 76 Y CA -1.528 56.226 58.100 -0.576 0.000 1.461 76 Y CB -0.411 37.738 38.460 -0.518 0.000 1.323 76 Y HN 0.403 nan 8.280 nan 0.000 0.590 77 P HA 0.138 nan 4.420 nan 0.000 0.272 77 P C -1.492 175.601 177.300 -0.345 0.000 1.223 77 P CA -0.054 62.693 63.100 -0.589 0.000 0.784 77 P CB 0.575 31.804 31.700 -0.786 0.000 0.923 78 Q N -0.014 119.679 119.800 -0.178 0.000 2.345 78 Q HA 0.549 5.027 4.340 0.231 0.000 0.268 78 Q C -0.444 175.516 176.000 -0.066 0.000 1.054 78 Q CA -0.887 54.874 55.803 -0.071 0.000 0.835 78 Q CB 2.291 31.006 28.738 -0.038 0.000 1.339 78 Q HN 0.096 nan 8.270 nan 0.000 0.447 79 R N 1.325 121.809 120.500 -0.026 0.000 2.312 79 R HA 0.104 4.583 4.340 0.231 0.000 0.311 79 R C -0.989 175.298 176.300 -0.021 0.000 1.004 79 R CA -0.451 55.636 56.100 -0.022 0.000 0.902 79 R CB 0.725 31.025 30.300 0.000 0.000 1.073 79 R HN 0.686 nan 8.270 nan 0.000 0.457 80 D N 4.752 125.136 120.400 -0.027 0.000 2.343 80 D HA 0.183 4.962 4.640 0.231 0.000 0.255 80 D C -1.434 174.856 176.300 -0.016 0.000 1.187 80 D CA -2.007 51.980 54.000 -0.022 0.000 0.875 80 D CB 1.947 42.731 40.800 -0.027 0.000 1.136 80 D HN 0.301 nan 8.370 nan 0.000 0.469 81 P HA -0.134 nan 4.420 nan 0.000 0.215 81 P C 0.991 178.285 177.300 -0.011 0.000 1.157 81 P CA 2.026 65.120 63.100 -0.010 0.000 0.874 81 P CB 0.292 31.987 31.700 -0.008 0.000 0.790 82 E N -1.024 119.168 120.200 -0.012 0.000 2.216 82 E HA -0.046 4.442 4.350 0.231 0.000 0.192 82 E C 1.803 178.395 176.600 -0.014 0.000 0.973 82 E CA 1.491 57.884 56.400 -0.012 0.000 0.851 82 E CB -1.687 28.007 29.700 -0.010 0.000 0.804 82 E HN 0.444 nan 8.360 nan 0.000 0.477 83 T N -4.607 109.938 114.554 -0.016 0.000 3.051 83 T HA 0.372 4.860 4.350 0.231 0.000 0.255 83 T C 2.103 176.790 174.700 -0.022 0.000 1.085 83 T CA 1.338 63.427 62.100 -0.018 0.000 1.109 83 T CB 0.333 69.189 68.868 -0.019 0.000 0.921 83 T HN 1.401 nan 8.240 nan 0.000 0.488 84 G N 1.861 110.647 108.800 -0.022 0.000 2.184 84 G HA2 -0.282 3.817 3.960 0.231 0.000 0.264 84 G HA3 -0.282 3.817 3.960 0.231 0.000 0.264 84 G C 0.169 175.049 174.900 -0.033 0.000 0.975 84 G CA 0.289 45.374 45.100 -0.024 0.000 0.642 84 G HN 1.020 nan 8.290 nan 0.000 0.536 85 I N 0.858 121.405 120.570 -0.039 0.000 2.588 85 I HA 0.544 4.852 4.170 0.231 0.000 0.283 85 I C 0.233 176.313 176.117 -0.062 0.000 1.119 85 I CA -0.546 60.722 61.300 -0.053 0.000 1.419 85 I CB 0.332 38.301 38.000 -0.051 0.000 1.394 85 I HN 0.110 nan 8.210 nan 0.000 0.562 86 I N 8.277 128.800 120.570 -0.078 0.000 2.354 86 I HA 0.626 4.934 4.170 0.231 0.000 0.286 86 I C -0.060 175.957 176.117 -0.166 0.000 1.007 86 I CA -0.285 60.954 61.300 -0.101 0.000 1.167 86 I CB 1.284 39.250 38.000 -0.057 0.000 1.320 86 I HN 0.769 nan 8.210 nan 0.000 0.458 87 A N 3.980 126.691 122.820 -0.183 0.000 2.594 87 A HA 0.831 5.290 4.320 0.231 0.000 0.291 87 A C -0.323 177.137 177.584 -0.206 0.000 1.105 87 A CA -0.614 51.292 52.037 -0.218 0.000 0.694 87 A CB 1.749 20.634 19.000 -0.192 0.000 1.291 87 A HN 0.604 nan 8.150 nan 0.000 0.410 88 T N -1.797 112.638 114.554 -0.198 0.000 2.928 88 T HA 0.555 5.044 4.350 0.231 0.000 0.284 88 T C 1.275 175.922 174.700 -0.088 0.000 1.008 88 T CA 0.472 62.507 62.100 -0.107 0.000 1.057 88 T CB 1.302 70.158 68.868 -0.020 0.000 1.018 88 T HN 1.354 nan 8.240 nan 0.000 0.493 89 Q N 1.599 121.388 119.800 -0.019 0.000 2.084 89 Q HA -0.002 4.477 4.340 0.231 0.000 0.202 89 Q C 0.932 176.943 176.000 0.018 0.000 0.978 89 Q CA 1.074 56.874 55.803 -0.005 0.000 0.844 89 Q CB -0.701 28.057 28.738 0.033 0.000 0.898 89 Q HN 0.869 nan 8.270 nan 0.000 0.426 90 W N 0.917 122.136 121.300 -0.134 0.000 2.311 90 W HA 0.509 5.308 4.660 0.232 0.000 0.310 90 W C -0.884 175.479 176.519 -0.260 0.000 1.274 90 W CA -0.869 56.377 57.345 -0.165 0.000 1.215 90 W CB 0.557 29.934 29.460 -0.137 0.000 1.227 90 W HN 0.187 nan 8.180 nan 0.000 0.523 91 R N 4.441 124.430 120.500 -0.853 0.000 2.204 91 R HA 0.116 4.594 4.340 0.231 0.000 0.341 91 R C 0.344 175.960 176.300 -1.141 0.000 1.035 91 R CA -0.169 55.287 56.100 -1.073 0.000 0.887 91 R CB 1.285 30.716 30.300 -1.449 0.000 1.114 91 R HN 0.326 nan 8.270 nan 0.000 0.473 92 S N 1.398 116.665 115.700 -0.721 0.000 2.549 92 S HA 0.112 4.721 4.470 0.231 0.000 0.279 92 S C 1.429 175.784 174.600 -0.409 0.000 1.321 92 S CA -0.332 57.627 58.200 -0.402 0.000 1.054 92 S CB 0.995 64.099 63.200 -0.161 0.000 0.899 92 S HN 0.799 nan 8.310 nan 0.000 0.497 93 G N 3.930 112.462 108.800 -0.447 0.000 2.848 93 G HA2 -0.060 4.039 3.960 0.231 0.000 0.208 93 G HA3 -0.060 4.039 3.960 0.231 0.000 0.208 93 G C 1.101 175.568 174.900 -0.721 0.000 1.152 93 G CA 0.136 44.817 45.100 -0.698 0.000 0.789 93 G HN 0.743 nan 8.290 nan 0.000 0.531 94 M N 0.198 119.487 119.600 -0.519 0.000 2.236 94 M HA 0.139 4.758 4.480 0.231 0.000 0.266 94 M C -0.004 176.077 176.300 -0.366 0.000 1.070 94 M CA 1.046 56.067 55.300 -0.465 0.000 1.137 94 M CB 0.355 32.741 32.600 -0.357 0.000 1.378 94 M HN -0.018 nan 8.290 nan 0.000 0.426 95 V N -0.316 119.423 119.914 -0.293 0.000 2.876 95 V HA 0.208 4.467 4.120 0.231 0.000 0.312 95 V C 0.796 176.773 176.094 -0.196 0.000 1.085 95 V CA -0.790 61.397 62.300 -0.188 0.000 0.945 95 V CB 1.717 33.489 31.823 -0.085 0.000 1.017 95 V HN 0.244 nan 8.190 nan 0.000 0.428 96 L N 1.416 122.492 121.223 -0.244 0.000 2.362 96 L HA -0.101 4.378 4.340 0.231 0.000 0.219 96 L C 2.458 179.199 176.870 -0.214 0.000 1.134 96 L CA 1.751 56.374 54.840 -0.362 0.000 0.807 96 L CB -0.378 41.088 42.059 -0.989 0.000 0.927 96 L HN 1.051 nan 8.230 nan 0.000 0.447 97 T N -4.141 110.321 114.554 -0.153 0.000 3.067 97 T HA 0.125 4.614 4.350 0.231 0.000 0.261 97 T C 1.569 176.138 174.700 -0.218 0.000 1.110 97 T CA 0.538 62.576 62.100 -0.102 0.000 1.113 97 T CB 0.224 69.087 68.868 -0.008 0.000 0.917 97 T HN 0.440 nan 8.240 nan 0.000 0.499 98 G N 1.254 109.882 108.800 -0.286 0.000 2.159 98 G HA2 -0.209 3.890 3.960 0.231 0.000 0.256 98 G HA3 -0.209 3.890 3.960 0.231 0.000 0.256 98 G C -0.042 174.638 174.900 -0.365 0.000 0.977 98 G CA 0.067 44.834 45.100 -0.554 0.000 0.652 98 G HN 0.614 nan 8.290 nan 0.000 0.531 99 L N 0.992 122.074 121.223 -0.234 0.000 2.397 99 L HA 0.308 4.787 4.340 0.231 0.000 0.271 99 L C -0.609 176.158 176.870 -0.172 0.000 1.148 99 L CA -1.626 53.112 54.840 -0.170 0.000 0.825 99 L CB 1.010 42.983 42.059 -0.143 0.000 1.117 99 L HN -0.054 nan 8.230 nan 0.000 0.456 100 P HA 0.071 nan 4.420 nan 0.000 0.255 100 P C -0.245 176.868 177.300 -0.312 0.000 1.301 100 P CA 0.404 63.368 63.100 -0.227 0.000 0.817 100 P CB 0.298 31.856 31.700 -0.236 0.000 1.259 101 I N -0.509 119.880 120.570 -0.301 0.000 2.582 101 I HA 0.509 4.817 4.170 0.231 0.000 0.292 101 I C -1.373 174.547 176.117 -0.327 0.000 1.066 101 I CA -1.393 59.703 61.300 -0.341 0.000 1.053 101 I CB 2.678 40.455 38.000 -0.373 0.000 1.241 101 I HN -0.263 nan 8.210 nan 0.000 0.421 102 E N 6.191 126.162 120.200 -0.381 0.000 2.311 102 E HA 0.378 4.866 4.350 0.231 0.000 0.281 102 E C -1.982 174.437 176.600 -0.302 0.000 0.905 102 E CA -0.528 55.699 56.400 -0.287 0.000 0.778 102 E CB 1.061 30.721 29.700 -0.068 0.000 1.240 102 E HN 0.388 nan 8.360 nan 0.000 0.410 103 F N 2.285 122.269 119.950 0.057 0.000 2.410 103 F HA 0.355 5.018 4.527 0.228 0.000 0.349 103 F C 0.686 176.513 175.800 0.045 0.000 1.117 103 F CA -0.625 57.387 58.000 0.019 0.000 1.104 103 F CB 1.659 40.641 39.000 -0.031 0.000 1.122 103 F HN 0.281 nan 8.300 nan 0.000 0.483 104 S N 2.183 117.973 115.700 0.149 0.000 2.537 104 S HA 0.545 5.153 4.470 0.231 0.000 0.301 104 S C -0.855 173.742 174.600 -0.005 0.000 1.092 104 S CA -0.855 57.322 58.200 -0.039 0.000 1.048 104 S CB 1.822 64.755 63.200 -0.444 0.000 1.053 104 S HN 0.543 nan 8.310 nan 0.000 0.501 105 N N 2.208 120.911 118.700 0.004 0.000 2.564 105 N HA 0.218 5.097 4.740 0.231 0.000 0.248 105 N C -1.278 174.219 175.510 -0.022 0.000 0.986 105 N CA -0.345 52.737 53.050 0.054 0.000 0.921 105 N CB 0.926 39.531 38.487 0.196 0.000 1.136 105 N HN 0.767 nan 8.380 nan 0.000 0.509 106 N N 3.584 122.253 118.700 -0.052 0.000 2.406 106 N HA -0.017 4.861 4.740 0.231 0.000 0.269 106 N C 1.054 176.445 175.510 -0.198 0.000 1.210 106 N CA -0.080 52.909 53.050 -0.101 0.000 0.966 106 N CB 0.423 38.864 38.487 -0.076 0.000 1.293 106 N HN 0.392 nan 8.380 nan 0.000 0.491 107 V N 1.566 121.335 119.914 -0.242 0.000 3.573 107 V HA 0.184 4.443 4.120 0.231 0.000 0.270 107 V C 1.727 177.368 176.094 -0.755 0.000 1.221 107 V CA 1.017 63.062 62.300 -0.424 0.000 1.163 107 V CB -0.759 30.779 31.823 -0.475 0.000 0.847 107 V HN 0.497 nan 8.190 nan 0.000 0.468 108 A N 0.652 123.024 122.820 -0.747 0.000 2.021 108 A HA 0.169 4.627 4.320 0.231 0.000 0.216 108 A C 2.244 179.272 177.584 -0.926 0.000 1.163 108 A CA 0.679 52.020 52.037 -1.161 0.000 0.676 108 A CB -0.104 18.356 19.000 -0.900 0.000 0.818 108 A HN 0.441 nan 8.150 nan 0.000 0.453 109 R N -1.850 118.273 120.500 -0.627 0.000 2.446 109 R HA 0.426 4.905 4.340 0.231 0.000 0.254 109 R C 0.550 176.655 176.300 -0.326 0.000 0.918 109 R CA 0.622 56.464 56.100 -0.431 0.000 1.069 109 R CB -0.443 29.677 30.300 -0.299 0.000 1.194 109 R HN 0.856 nan 8.270 nan 0.000 0.534 110 A N 1.695 124.326 122.820 -0.314 0.000 2.648 110 A HA -0.172 4.286 4.320 0.231 0.000 0.297 110 A C -0.260 177.238 177.584 -0.143 0.000 1.467 110 A CA 0.610 52.522 52.037 -0.208 0.000 0.731 110 A CB -2.123 16.746 19.000 -0.218 0.000 1.085 110 A HN 0.208 nan 8.150 nan 0.000 0.437 111 L N 0.689 121.870 121.223 -0.070 0.000 2.362 111 L HA 0.735 5.213 4.340 0.231 0.000 0.271 111 L C 0.076 177.012 176.870 0.110 0.000 1.002 111 L CA -1.181 53.689 54.840 0.051 0.000 0.818 111 L CB 1.703 43.778 42.059 0.027 0.000 1.298 111 L HN 0.333 nan 8.230 nan 0.000 0.420 112 I N 2.413 123.101 120.570 0.197 0.000 2.562 112 I HA 0.518 4.827 4.170 0.231 0.000 0.301 112 I C -0.161 175.980 176.117 0.039 0.000 1.003 112 I CA -0.453 60.897 61.300 0.084 0.000 1.127 112 I CB 1.807 39.808 38.000 0.002 0.000 1.304 112 I HN 0.660 nan 8.210 nan 0.000 0.446 113 R N 5.826 126.355 120.500 0.049 0.000 2.686 113 R HA 0.665 5.143 4.340 0.231 0.000 0.283 113 R C -1.682 174.695 176.300 0.128 0.000 0.978 113 R CA -0.615 55.523 56.100 0.063 0.000 0.897 113 R CB 1.967 32.314 30.300 0.078 0.000 1.192 113 R HN 0.564 nan 8.270 nan 0.000 0.457 114 I N 3.115 123.762 120.570 0.129 0.000 2.328 114 I HA 0.307 4.616 4.170 0.231 0.000 0.287 114 I C 0.611 176.788 176.117 0.099 0.000 1.012 114 I CA -0.771 60.648 61.300 0.199 0.000 1.195 114 I CB 1.834 39.990 38.000 0.260 0.000 1.350 114 I HN 0.688 nan 8.210 nan 0.000 0.464 115 G N 5.891 114.703 108.800 0.020 0.000 2.325 115 G HA2 0.559 4.657 3.960 0.231 0.000 0.298 115 G HA3 0.559 4.657 3.960 0.231 0.000 0.298 115 G C -0.670 174.138 174.900 -0.152 0.000 1.134 115 G CA -0.224 44.835 45.100 -0.068 0.000 0.876 115 G HN 0.362 nan 8.290 nan 0.000 0.452 116 V N 2.725 122.517 119.914 -0.203 0.000 2.638 116 V HA 0.294 4.552 4.120 0.231 0.000 0.306 116 V C -1.124 174.736 176.094 -0.390 0.000 1.052 116 V CA -0.903 61.205 62.300 -0.319 0.000 0.885 116 V CB 2.136 33.724 31.823 -0.392 0.000 0.999 116 V HN 0.753 nan 8.190 nan 0.000 0.424 117 D N 6.086 126.273 120.400 -0.355 0.000 2.467 117 D HA 0.389 5.167 4.640 0.231 0.000 0.220 117 D C -2.684 173.390 176.300 -0.377 0.000 1.103 117 D CA -2.113 51.701 54.000 -0.309 0.000 0.886 117 D CB 1.837 42.537 40.800 -0.168 0.000 1.025 117 D HN 0.215 nan 8.370 nan 0.000 0.514 118 P HA 0.064 nan 4.420 nan 0.000 0.271 118 P C -0.582 176.504 177.300 -0.357 0.000 1.233 118 P CA -0.276 62.566 63.100 -0.430 0.000 0.764 118 P CB 0.913 32.350 31.700 -0.439 0.000 0.825 119 V N 0.824 120.543 119.914 -0.324 0.000 3.040 119 V HA 0.900 5.158 4.120 0.231 0.000 0.312 119 V C -0.083 175.884 176.094 -0.211 0.000 1.115 119 V CA -0.803 61.282 62.300 -0.357 0.000 0.998 119 V CB 1.948 33.524 31.823 -0.411 0.000 1.042 119 V HN 0.555 nan 8.190 nan 0.000 0.433 120 T N -0.928 113.509 114.554 -0.195 0.000 2.905 120 T HA 0.765 5.254 4.350 0.231 0.000 0.283 120 T C 1.159 175.822 174.700 -0.063 0.000 1.031 120 T CA -0.134 61.908 62.100 -0.097 0.000 1.002 120 T CB 1.651 70.470 68.868 -0.083 0.000 1.200 120 T HN 1.625 nan 8.240 nan 0.000 0.560 121 A N -0.024 122.787 122.820 -0.015 0.000 2.070 121 A HA -0.006 4.453 4.320 0.231 0.000 0.220 121 A C 1.719 179.301 177.584 -0.003 0.000 1.159 121 A CA 1.419 53.461 52.037 0.008 0.000 0.656 121 A CB -0.877 18.136 19.000 0.022 0.000 0.800 121 A HN 0.832 nan 8.150 nan 0.000 0.453 122 D N -0.207 120.177 120.400 -0.027 0.000 2.354 122 D HA 0.076 4.855 4.640 0.231 0.000 0.209 122 D C 0.154 176.429 176.300 -0.041 0.000 1.015 122 D CA 0.255 54.242 54.000 -0.022 0.000 0.867 122 D CB 0.050 40.838 40.800 -0.021 0.000 0.933 122 D HN 0.227 nan 8.370 nan 0.000 0.520 123 S N -0.267 115.366 115.700 -0.111 0.000 2.515 123 S HA 0.362 4.971 4.470 0.231 0.000 0.285 123 S C 1.485 176.110 174.600 0.043 0.000 1.265 123 S CA 0.545 58.610 58.200 -0.226 0.000 1.079 123 S CB 1.043 63.895 63.200 -0.579 0.000 0.877 123 S HN 0.445 nan 8.310 nan 0.000 0.493 124 G N 2.702 111.609 108.800 0.179 0.000 2.279 124 G HA2 -0.292 3.806 3.960 0.231 0.000 0.223 124 G HA3 -0.292 3.806 3.960 0.231 0.000 0.223 124 G C 0.470 175.448 174.900 0.131 0.000 1.015 124 G CA 0.158 45.467 45.100 0.347 0.000 0.621 124 G HN 1.023 nan 8.290 nan 0.000 0.506 125 T N -1.335 113.268 114.554 0.082 0.000 2.753 125 T HA 0.682 5.171 4.350 0.231 0.000 0.309 125 T C 1.919 176.648 174.700 0.049 0.000 1.043 125 T CA 0.893 63.024 62.100 0.052 0.000 0.964 125 T CB 0.992 69.883 68.868 0.038 0.000 1.206 125 T HN 1.464 nan 8.240 nan 0.000 0.528 126 A N -0.051 122.794 122.820 0.042 0.000 1.972 126 A HA 0.090 4.549 4.320 0.231 0.000 0.219 126 A C 2.787 180.400 177.584 0.049 0.000 1.169 126 A CA 2.155 54.221 52.037 0.047 0.000 0.635 126 A CB -1.809 17.214 19.000 0.040 0.000 0.810 126 A HN 1.123 nan 8.150 nan 0.000 0.446 127 Q N -1.247 118.575 119.800 0.037 0.000 2.230 127 Q HA 0.031 4.510 4.340 0.231 0.000 0.202 127 Q C 0.620 176.641 176.000 0.034 0.000 0.963 127 Q CA 1.557 57.379 55.803 0.032 0.000 0.866 127 Q CB -0.181 28.569 28.738 0.020 0.000 0.931 127 Q HN 0.608 nan 8.270 nan 0.000 0.452 128 D N -2.047 118.375 120.400 0.036 0.000 2.634 128 D HA 0.171 4.950 4.640 0.231 0.000 0.236 128 D C -2.581 173.750 176.300 0.050 0.000 1.323 128 D CA -1.236 52.785 54.000 0.035 0.000 0.884 128 D CB 1.594 42.381 40.800 -0.021 0.000 1.496 128 D HN 0.081 nan 8.370 nan 0.000 0.525 129 P HA 0.170 nan 4.420 nan 0.000 0.240 129 P C 0.709 177.983 177.300 -0.042 0.000 1.190 129 P CA 0.207 63.340 63.100 0.056 0.000 0.781 129 P CB 0.137 31.871 31.700 0.056 0.000 0.931 130 F N -1.162 118.881 119.950 0.155 0.000 2.746 130 F HA 0.306 4.972 4.527 0.231 0.000 0.320 130 F C 0.523 176.359 175.800 0.059 0.000 1.097 130 F CA -0.389 57.723 58.000 0.186 0.000 1.195 130 F CB -0.315 38.726 39.000 0.069 0.000 1.056 130 F HN -0.199 nan 8.300 nan 0.000 0.562 131 N N 0.864 119.540 118.700 -0.039 0.000 2.708 131 N HA -0.209 4.669 4.740 0.231 0.000 0.255 131 N C 0.897 176.359 175.510 -0.080 0.000 1.046 131 N CA 0.889 53.769 53.050 -0.283 0.000 0.715 131 N CB -0.860 37.130 38.487 -0.828 0.000 0.895 131 N HN 0.429 nan 8.380 nan 0.000 0.545 132 T N -4.603 109.960 114.554 0.015 0.000 2.809 132 T HA -0.100 4.388 4.350 0.231 0.000 0.260 132 T C 1.901 176.638 174.700 0.062 0.000 1.039 132 T CA 1.680 63.819 62.100 0.064 0.000 1.141 132 T CB -0.670 68.246 68.868 0.079 0.000 0.869 132 T HN 0.449 nan 8.240 nan 0.000 0.437 133 T N 0.047 114.621 114.554 0.033 0.000 2.937 133 T HA 0.136 4.625 4.350 0.231 0.000 0.260 133 T C 2.118 176.836 174.700 0.029 0.000 1.051 133 T CA 0.543 62.673 62.100 0.050 0.000 1.141 133 T CB -0.258 68.633 68.868 0.038 0.000 0.879 133 T HN 0.204 nan 8.240 nan 0.000 0.459 134 R N 2.509 122.989 120.500 -0.033 0.000 2.096 134 R HA 0.083 4.562 4.340 0.231 0.000 0.235 134 R C -0.857 175.424 176.300 -0.032 0.000 1.127 134 R CA 0.940 57.010 56.100 -0.050 0.000 0.968 134 R CB -1.555 28.670 30.300 -0.125 0.000 0.861 134 R HN 0.341 nan 8.270 nan 0.000 0.440 135 P HA -0.166 nan 4.420 nan 0.000 0.215 135 P C 0.627 177.933 177.300 0.010 0.000 1.153 135 P CA 1.496 64.568 63.100 -0.047 0.000 0.853 135 P CB -0.066 31.611 31.700 -0.038 0.000 0.788 136 K N -0.051 120.395 120.400 0.077 0.000 2.032 136 K HA -0.137 4.322 4.320 0.231 0.000 0.209 136 K C 1.824 178.429 176.600 0.010 0.000 1.048 136 K CA 1.560 57.888 56.287 0.067 0.000 0.927 136 K CB -0.727 31.935 32.500 0.271 0.000 0.712 136 K HN -0.130 nan 8.250 nan 0.000 0.441 137 V N 0.714 120.660 119.914 0.053 0.000 2.332 137 V HA -0.267 3.992 4.120 0.231 0.000 0.248 137 V C 2.108 178.220 176.094 0.031 0.000 1.055 137 V CA 2.032 64.358 62.300 0.043 0.000 1.038 137 V CB -0.690 31.158 31.823 0.042 0.000 0.651 137 V HN 0.402 nan 8.190 nan 0.000 0.450 138 Y N 0.406 120.651 120.300 -0.090 0.000 2.097 138 Y HA -0.263 4.426 4.550 0.231 0.000 0.282 138 Y C 2.261 178.083 175.900 -0.130 0.000 1.152 138 Y CA 1.910 59.949 58.100 -0.103 0.000 1.136 138 Y CB -0.216 38.174 38.460 -0.116 0.000 0.975 138 Y HN 0.134 nan 8.280 nan 0.000 0.498 139 L N -0.081 121.124 121.223 -0.031 0.000 2.056 139 L HA -0.202 4.277 4.340 0.231 0.000 0.207 139 L C 2.372 179.109 176.870 -0.222 0.000 1.078 139 L CA 1.637 56.351 54.840 -0.209 0.000 0.749 139 L CB -0.556 41.215 42.059 -0.480 0.000 0.901 139 L HN 0.289 nan 8.230 nan 0.000 0.433 140 E N -0.553 119.549 120.200 -0.163 0.000 2.118 140 E HA -0.191 4.297 4.350 0.231 0.000 0.195 140 E C 2.071 178.625 176.600 -0.077 0.000 0.992 140 E CA 1.756 58.112 56.400 -0.073 0.000 0.804 140 E CB -0.074 29.633 29.700 0.012 0.000 0.741 140 E HN 0.470 nan 8.360 nan 0.000 0.458 141 T N 0.659 115.142 114.554 -0.118 0.000 2.770 141 T HA -0.070 4.418 4.350 0.231 0.000 0.263 141 T C 2.022 176.622 174.700 -0.167 0.000 1.039 141 T CA 1.034 63.058 62.100 -0.128 0.000 1.142 141 T CB -0.191 68.589 68.868 -0.147 0.000 0.868 141 T HN 0.233 nan 8.240 nan 0.000 0.435 142 A N 1.572 124.231 122.820 -0.268 0.000 1.940 142 A HA 0.048 4.506 4.320 0.231 0.000 0.219 142 A C 2.596 180.106 177.584 -0.123 0.000 1.176 142 A CA 1.963 53.858 52.037 -0.238 0.000 0.631 142 A CB -1.055 17.754 19.000 -0.317 0.000 0.814 142 A HN 0.512 nan 8.150 nan 0.000 0.446 143 A N -0.350 122.407 122.820 -0.105 0.000 1.930 143 A HA -0.128 4.330 4.320 0.231 0.000 0.217 143 A C 2.249 179.818 177.584 -0.026 0.000 1.175 143 A CA 1.417 53.423 52.037 -0.051 0.000 0.627 143 A CB -0.394 18.581 19.000 -0.041 0.000 0.815 143 A HN 0.567 nan 8.150 nan 0.000 0.443 144 R N -1.286 119.195 120.500 -0.031 0.000 2.115 144 R HA 0.009 4.487 4.340 0.231 0.000 0.226 144 R C 2.035 178.321 176.300 -0.024 0.000 1.100 144 R CA 1.139 57.228 56.100 -0.018 0.000 0.980 144 R CB -0.416 29.875 30.300 -0.015 0.000 0.875 144 R HN 0.471 nan 8.270 nan 0.000 0.445 145 L N 0.842 122.040 121.223 -0.042 0.000 2.072 145 L HA 0.049 4.528 4.340 0.231 0.000 0.205 145 L C 0.471 177.328 176.870 -0.022 0.000 1.079 145 L CA 1.597 56.413 54.840 -0.040 0.000 0.752 145 L CB -0.017 42.007 42.059 -0.058 0.000 0.906 145 L HN -0.024 nan 8.230 nan 0.000 0.436 146 L N 1.707 122.919 121.223 -0.018 0.000 2.282 146 L HA 0.397 4.875 4.340 0.231 0.000 0.288 146 L C -2.099 174.779 176.870 0.014 0.000 1.033 146 L CA -2.095 52.748 54.840 0.005 0.000 0.807 146 L CB 0.911 42.973 42.059 0.006 0.000 1.209 146 L HN 0.026 nan 8.230 nan 0.000 0.423 147 P HA 0.186 nan 4.420 nan 0.000 0.274 147 P C 0.780 178.102 177.300 0.037 0.000 1.231 147 P CA 0.111 63.228 63.100 0.029 0.000 0.790 147 P CB 1.091 32.809 31.700 0.030 0.000 0.951 148 G N 0.284 109.107 108.800 0.039 0.000 2.184 148 G HA2 -0.219 3.880 3.960 0.231 0.000 0.264 148 G HA3 -0.219 3.880 3.960 0.231 0.000 0.264 148 G C -0.029 174.900 174.900 0.049 0.000 0.975 148 G CA 0.037 45.165 45.100 0.047 0.000 0.642 148 G HN 0.555 nan 8.290 nan 0.000 0.536 149 V N 1.803 121.741 119.914 0.039 0.000 2.389 149 V HA 0.464 4.723 4.120 0.231 0.000 0.264 149 V C -0.110 176.009 176.094 0.042 0.000 1.049 149 V CA -0.200 62.121 62.300 0.035 0.000 0.932 149 V CB 1.506 33.335 31.823 0.009 0.000 1.011 149 V HN 0.345 nan 8.190 nan 0.000 0.475 150 D N 4.474 124.910 120.400 0.060 0.000 2.381 150 D HA 0.357 5.136 4.640 0.231 0.000 0.235 150 D C 0.424 176.777 176.300 0.087 0.000 1.068 150 D CA -0.347 53.700 54.000 0.079 0.000 0.832 150 D CB 1.865 42.718 40.800 0.088 0.000 1.101 150 D HN 0.380 nan 8.370 nan 0.000 0.515 151 L N 2.963 124.238 121.223 0.086 0.000 2.592 151 L HA 0.037 4.515 4.340 0.231 0.000 0.227 151 L C 2.302 179.240 176.870 0.114 0.000 1.127 151 L CA 0.078 54.930 54.840 0.021 0.000 0.884 151 L CB 0.044 42.005 42.059 -0.164 0.000 1.065 151 L HN 0.464 nan 8.230 nan 0.000 0.457 152 T N -0.322 114.359 114.554 0.211 0.000 2.699 152 T HA -0.263 4.226 4.350 0.231 0.000 0.268 152 T C 2.119 176.934 174.700 0.191 0.000 1.036 152 T CA 1.683 63.933 62.100 0.251 0.000 1.147 152 T CB 0.073 69.042 68.868 0.168 0.000 0.862 152 T HN 0.120 nan 8.240 nan 0.000 0.446 153 R N -0.151 120.457 120.500 0.180 0.000 2.092 153 R HA 0.124 4.602 4.340 0.231 0.000 0.231 153 R C 2.015 178.483 176.300 0.281 0.000 1.119 153 R CA 1.245 57.459 56.100 0.191 0.000 0.970 153 R CB -1.343 29.127 30.300 0.284 0.000 0.864 153 R HN 0.624 nan 8.270 nan 0.000 0.440 154 F N -0.404 119.644 119.950 0.162 0.000 2.102 154 F HA -0.232 4.437 4.527 0.235 0.000 0.298 154 F C 1.410 177.314 175.800 0.173 0.000 1.105 154 F CA 1.425 59.568 58.000 0.238 0.000 1.239 154 F CB -0.382 38.627 39.000 0.014 0.000 0.991 154 F HN -0.007 nan 8.300 nan 0.000 0.474 155 Y N 1.191 121.572 120.300 0.135 0.000 2.145 155 Y HA -0.168 4.520 4.550 0.231 0.000 0.286 155 Y C 2.517 178.324 175.900 -0.155 0.000 1.145 155 Y CA 1.720 59.797 58.100 -0.038 0.000 1.148 155 Y CB -1.191 37.329 38.460 0.100 0.000 0.981 155 Y HN 0.196 nan 8.280 nan 0.000 0.507 156 E N -0.899 119.299 120.200 -0.003 0.000 2.085 156 E HA -0.205 4.284 4.350 0.231 0.000 0.194 156 E C 1.879 178.272 176.600 -0.345 0.000 0.994 156 E CA 1.480 57.761 56.400 -0.197 0.000 0.801 156 E CB -0.376 29.142 29.700 -0.304 0.000 0.743 156 E HN 0.367 nan 8.360 nan 0.000 0.453 157 F N 1.157 120.902 119.950 -0.342 0.000 2.293 157 F HA -0.074 4.591 4.527 0.230 0.000 0.297 157 F C 2.428 177.782 175.800 -0.744 0.000 1.089 157 F CA 0.930 58.522 58.000 -0.680 0.000 1.377 157 F CB -0.303 37.981 39.000 -1.193 0.000 1.051 157 F HN 0.027 nan 8.300 nan 0.000 0.511 158 E N 0.137 120.083 120.200 -0.423 0.000 2.058 158 E HA -0.206 4.283 4.350 0.231 0.000 0.194 158 E C 1.870 178.425 176.600 -0.075 0.000 0.997 158 E CA 2.007 58.301 56.400 -0.177 0.000 0.801 158 E CB -0.274 29.203 29.700 -0.371 0.000 0.746 158 E HN 0.289 nan 8.360 nan 0.000 0.450 159 T N 1.370 115.878 114.554 -0.078 0.000 2.720 159 T HA -0.138 4.350 4.350 0.231 0.000 0.268 159 T C 1.567 176.245 174.700 -0.037 0.000 1.037 159 T CA 1.574 63.651 62.100 -0.038 0.000 1.144 159 T CB -0.123 68.722 68.868 -0.039 0.000 0.864 159 T HN 0.218 nan 8.240 nan 0.000 0.444 160 E N 0.630 120.794 120.200 -0.060 0.000 2.158 160 E HA 0.135 4.623 4.350 0.231 0.000 0.191 160 E C 1.973 178.575 176.600 0.003 0.000 0.982 160 E CA 0.647 57.033 56.400 -0.024 0.000 0.823 160 E CB -0.030 29.663 29.700 -0.012 0.000 0.766 160 E HN 0.453 nan 8.360 nan 0.000 0.468 161 L N 0.062 121.280 121.223 -0.009 0.000 2.701 161 L HA 0.196 4.675 4.340 0.231 0.000 0.238 161 L C 0.197 177.136 176.870 0.115 0.000 1.106 161 L CA -0.049 54.820 54.840 0.048 0.000 0.898 161 L CB 1.092 43.154 42.059 0.005 0.000 1.188 161 L HN -0.200 nan 8.230 nan 0.000 0.508 162 V N 1.535 121.509 119.914 0.101 0.000 2.667 162 V HA 0.321 4.579 4.120 0.231 0.000 0.308 162 V C 0.305 176.416 176.094 0.028 0.000 1.048 162 V CA -1.031 61.333 62.300 0.107 0.000 0.928 162 V CB 2.301 34.223 31.823 0.166 0.000 1.004 162 V HN 0.098 nan 8.190 nan 0.000 0.444 163 I N 1.354 121.907 120.570 -0.028 0.000 2.692 163 I HA 0.379 4.687 4.170 0.231 0.000 0.284 163 I C 0.887 176.980 176.117 -0.039 0.000 1.159 163 I CA -0.046 61.206 61.300 -0.080 0.000 1.423 163 I CB 0.844 38.716 38.000 -0.213 0.000 1.380 163 I HN 0.809 nan 8.210 nan 0.000 0.580 164 T N 2.494 117.028 114.554 -0.033 0.000 2.726 164 T HA 0.141 4.630 4.350 0.231 0.000 0.294 164 T C 1.130 175.819 174.700 -0.018 0.000 1.013 164 T CA -0.460 61.632 62.100 -0.013 0.000 0.996 164 T CB 1.182 70.044 68.868 -0.009 0.000 1.016 164 T HN 0.649 nan 8.240 nan 0.000 0.529 165 K N 0.179 120.579 120.400 0.000 0.000 2.217 165 K HA 0.186 4.645 4.320 0.231 0.000 0.202 165 K C 2.659 179.260 176.600 0.002 0.000 1.051 165 K CA 0.893 57.184 56.287 0.007 0.000 0.952 165 K CB -1.263 31.247 32.500 0.018 0.000 0.736 165 K HN 0.744 nan 8.250 nan 0.000 0.453 166 A N 1.417 124.235 122.820 -0.004 0.000 1.897 166 A HA -0.120 4.339 4.320 0.231 0.000 0.215 166 A C 2.134 179.709 177.584 -0.016 0.000 1.181 166 A CA 1.460 53.495 52.037 -0.004 0.000 0.620 166 A CB -0.387 18.612 19.000 -0.002 0.000 0.821 166 A HN 0.546 nan 8.150 nan 0.000 0.443 167 E N -0.133 120.046 120.200 -0.035 0.000 2.153 167 E HA -0.186 4.303 4.350 0.231 0.000 0.194 167 E C 1.927 178.469 176.600 -0.098 0.000 0.988 167 E CA 1.122 57.483 56.400 -0.065 0.000 0.811 167 E CB -0.130 29.520 29.700 -0.084 0.000 0.746 167 E HN 0.702 nan 8.360 nan 0.000 0.466 168 E N 0.609 120.755 120.200 -0.090 0.000 2.038 168 E HA -0.239 4.249 4.350 0.231 0.000 0.195 168 E C 2.199 178.801 176.600 0.003 0.000 1.000 168 E CA 0.989 57.346 56.400 -0.073 0.000 0.803 168 E CB -0.176 29.523 29.700 -0.002 0.000 0.750 168 E HN 0.243 nan 8.360 nan 0.000 0.448 169 A N 0.899 123.728 122.820 0.016 0.000 1.927 169 A HA -0.214 4.244 4.320 0.231 0.000 0.220 169 A C 2.491 180.095 177.584 0.033 0.000 1.185 169 A CA 1.668 53.725 52.037 0.032 0.000 0.639 169 A CB -0.834 18.181 19.000 0.024 0.000 0.820 169 A HN 0.156 nan 8.150 nan 0.000 0.451 170 V N -0.087 119.836 119.914 0.014 0.000 2.343 170 V HA -0.232 4.027 4.120 0.231 0.000 0.247 170 V C 2.472 178.590 176.094 0.040 0.000 1.051 170 V CA 1.901 64.213 62.300 0.020 0.000 1.036 170 V CB -0.661 31.165 31.823 0.004 0.000 0.654 170 V HN 0.585 nan 8.190 nan 0.000 0.451 171 L N -0.629 120.612 121.223 0.030 0.000 2.291 171 L HA -0.139 4.340 4.340 0.231 0.000 0.214 171 L C 2.583 179.558 176.870 0.174 0.000 1.120 171 L CA 1.128 56.026 54.840 0.096 0.000 0.799 171 L CB -0.486 41.581 42.059 0.013 0.000 0.925 171 L HN 0.426 nan 8.230 nan 0.000 0.446 172 Q N -0.026 119.859 119.800 0.141 0.000 2.036 172 Q HA -0.070 4.409 4.340 0.231 0.000 0.195 172 Q C 2.551 178.609 176.000 0.096 0.000 0.971 172 Q CA 1.254 57.138 55.803 0.135 0.000 0.826 172 Q CB -0.224 28.583 28.738 0.116 0.000 0.896 172 Q HN 0.486 nan 8.270 nan 0.000 0.449 173 A N 1.675 124.539 122.820 0.073 0.000 1.958 173 A HA -0.186 4.273 4.320 0.231 0.000 0.221 173 A C 1.243 178.862 177.584 0.059 0.000 1.178 173 A CA 1.644 53.715 52.037 0.057 0.000 0.642 173 A CB -0.284 18.743 19.000 0.045 0.000 0.816 173 A HN 0.269 nan 8.150 nan 0.000 0.453 174 N N -1.031 117.711 118.700 0.070 0.000 2.804 174 N HA 0.262 5.141 4.740 0.231 0.000 0.251 174 N C -2.300 173.269 175.510 0.098 0.000 1.250 174 N CA -2.083 51.009 53.050 0.070 0.000 0.820 174 N CB 1.285 39.807 38.487 0.059 0.000 1.156 174 N HN 0.055 nan 8.380 nan 0.000 0.512 175 P HA 0.012 nan 4.420 nan 0.000 0.237 175 P C 0.324 177.694 177.300 0.116 0.000 1.178 175 P CA 0.615 63.793 63.100 0.131 0.000 0.766 175 P CB 0.593 32.354 31.700 0.102 0.000 0.876 176 D N -0.045 120.404 120.400 0.082 0.000 2.312 176 D HA -0.044 4.734 4.640 0.231 0.000 0.211 176 D C 2.174 178.516 176.300 0.070 0.000 0.964 176 D CA 0.548 54.582 54.000 0.056 0.000 0.877 176 D CB -0.459 40.363 40.800 0.037 0.000 0.924 176 D HN -0.002 nan 8.370 nan 0.000 0.515 177 L N -0.936 120.353 121.223 0.111 0.000 2.395 177 L HA 0.251 4.729 4.340 0.231 0.000 0.218 177 L C 0.697 177.701 176.870 0.224 0.000 1.130 177 L CA 0.823 55.742 54.840 0.131 0.000 0.826 177 L CB -0.771 41.359 42.059 0.119 0.000 0.941 177 L HN 0.154 nan 8.230 nan 0.000 0.451 178 F N -0.572 119.426 119.950 0.080 0.000 2.902 178 F HA 0.590 5.255 4.527 0.231 0.000 0.368 178 F C 0.944 176.799 175.800 0.091 0.000 1.202 178 F CA -0.755 57.310 58.000 0.109 0.000 1.109 178 F CB 0.895 40.021 39.000 0.209 0.000 1.418 178 F HN -0.111 nan 8.300 nan 0.000 0.527 179 R N 1.866 122.207 120.500 -0.265 0.000 2.312 179 R HA 0.160 4.639 4.340 0.231 0.000 0.205 179 R C 0.607 176.698 176.300 -0.349 0.000 0.904 179 R CA 0.107 56.078 56.100 -0.215 0.000 1.052 179 R CB 0.519 30.725 30.300 -0.157 0.000 1.014 179 R HN 0.476 nan 8.270 nan 0.000 0.503 180 S N 1.841 117.125 115.700 -0.693 0.000 2.549 180 S HA 0.100 4.708 4.470 0.231 0.000 0.283 180 S C -1.370 173.058 174.600 -0.287 0.000 1.320 180 S CA -1.146 56.699 58.200 -0.592 0.000 1.058 180 S CB 1.049 63.789 63.200 -0.766 0.000 0.882 180 S HN 0.101 nan 8.310 nan 0.000 0.498 181 P HA 0.082 nan 4.420 nan 0.000 0.240 181 P C -0.417 177.020 177.300 0.229 0.000 1.190 181 P CA 0.243 63.371 63.100 0.046 0.000 0.781 181 P CB 0.053 31.819 31.700 0.110 0.000 0.931 182 W N 1.576 122.821 121.300 -0.091 0.000 2.510 182 W HA 0.158 4.958 4.660 0.233 0.000 0.388 182 W C 1.080 177.649 176.519 0.083 0.000 1.092 182 W CA -0.381 56.930 57.345 -0.056 0.000 1.562 182 W CB -0.215 29.188 29.460 -0.095 0.000 1.603 182 W HN -0.132 nan 8.180 nan 0.000 0.396 183 K N 0.332 120.799 120.400 0.111 0.000 2.353 183 K HA 0.108 4.567 4.320 0.231 0.000 0.195 183 K C 0.718 177.516 176.600 0.330 0.000 1.031 183 K CA -0.111 56.291 56.287 0.192 0.000 1.079 183 K CB 0.376 32.772 32.500 -0.173 0.000 0.857 183 K HN 0.228 nan 8.250 nan 0.000 0.535 184 S N 2.553 118.365 115.700 0.186 0.000 2.515 184 S HA 0.052 4.660 4.470 0.231 0.000 0.285 184 S C 0.965 175.660 174.600 0.158 0.000 1.265 184 S CA -0.001 58.352 58.200 0.255 0.000 1.079 184 S CB 0.641 63.808 63.200 -0.055 0.000 0.877 184 S HN 0.384 nan 8.310 nan 0.000 0.493 185 Q N 2.031 121.966 119.800 0.226 0.000 2.304 185 Q HA 0.258 4.736 4.340 0.231 0.000 0.204 185 Q C -0.103 176.012 176.000 0.193 0.000 0.936 185 Q CA 0.698 56.645 55.803 0.240 0.000 0.878 185 Q CB 0.256 29.128 28.738 0.222 0.000 0.983 185 Q HN 0.619 nan 8.270 nan 0.000 0.516 186 I N 1.337 121.951 120.570 0.073 0.000 2.441 186 I HA 0.325 4.634 4.170 0.231 0.000 0.295 186 I C -0.775 175.296 176.117 -0.077 0.000 0.994 186 I CA -0.505 60.754 61.300 -0.069 0.000 1.144 186 I CB 1.574 39.537 38.000 -0.062 0.000 1.314 186 I HN 0.005 nan 8.210 nan 0.000 0.445 187 L N 4.253 125.431 121.223 -0.075 0.000 2.309 187 L HA 0.720 5.199 4.340 0.231 0.000 0.261 187 L C -0.147 176.699 176.870 -0.039 0.000 1.021 187 L CA -0.664 54.098 54.840 -0.131 0.000 0.823 187 L CB 2.493 44.401 42.059 -0.252 0.000 1.366 187 L HN 0.615 nan 8.230 nan 0.000 0.423 188 T N -1.453 113.044 114.554 -0.094 0.000 2.916 188 T HA 0.903 5.392 4.350 0.231 0.000 0.292 188 T C -0.844 173.890 174.700 0.056 0.000 1.055 188 T CA -0.779 61.336 62.100 0.026 0.000 1.009 188 T CB 2.283 71.130 68.868 -0.034 0.000 1.118 188 T HN 0.823 nan 8.240 nan 0.000 0.497 189 A N 2.192 125.122 122.820 0.183 0.000 2.488 189 A HA 0.732 5.191 4.320 0.231 0.000 0.298 189 A C -0.803 176.880 177.584 0.165 0.000 1.044 189 A CA -0.956 51.186 52.037 0.175 0.000 0.693 189 A CB 1.531 20.699 19.000 0.280 0.000 1.272 189 A HN 0.878 nan 8.150 nan 0.000 0.402 190 M N 2.609 122.286 119.600 0.130 0.000 2.114 190 M HA 0.273 4.892 4.480 0.231 0.000 0.332 190 M C -1.268 175.059 176.300 0.045 0.000 1.014 190 M CA -0.528 54.824 55.300 0.086 0.000 0.956 190 M CB 1.445 34.088 32.600 0.071 0.000 1.551 190 M HN 0.611 nan 8.290 nan 0.000 0.427 191 D N 5.052 125.483 120.400 0.052 0.000 2.316 191 D HA 0.307 5.086 4.640 0.231 0.000 0.245 191 D C -0.464 175.829 176.300 -0.012 0.000 1.171 191 D CA -0.024 54.002 54.000 0.044 0.000 0.856 191 D CB 1.355 42.206 40.800 0.085 0.000 1.090 191 D HN 0.504 nan 8.370 nan 0.000 0.476 192 L N 3.004 124.179 121.223 -0.079 0.000 2.268 192 L HA 0.203 4.681 4.340 0.231 0.000 0.289 192 L C 0.908 177.896 176.870 0.197 0.000 1.064 192 L CA -0.463 54.255 54.840 -0.204 0.000 0.824 192 L CB 0.417 42.090 42.059 -0.642 0.000 1.202 192 L HN 0.093 nan 8.230 nan 0.000 0.433 193 Q N 1.708 121.667 119.800 0.264 0.000 2.312 193 Q HA 0.117 4.595 4.340 0.231 0.000 0.236 193 Q C 0.534 176.773 176.000 0.399 0.000 0.965 193 Q CA -0.620 55.346 55.803 0.271 0.000 0.894 193 Q CB 1.665 30.511 28.738 0.181 0.000 1.225 193 Q HN 0.308 nan 8.270 nan 0.000 0.478 194 K N 0.420 120.925 120.400 0.175 0.000 2.211 194 K HA -0.144 4.315 4.320 0.231 0.000 0.204 194 K C 1.951 178.627 176.600 0.127 0.000 1.047 194 K CA 1.610 57.937 56.287 0.068 0.000 0.935 194 K CB -0.088 32.349 32.500 -0.105 0.000 0.728 194 K HN 0.636 nan 8.250 nan 0.000 0.452 195 S N -1.883 113.890 115.700 0.121 0.000 2.522 195 S HA 0.087 4.695 4.470 0.231 0.000 0.227 195 S C 1.493 176.148 174.600 0.091 0.000 0.986 195 S CA 0.729 58.980 58.200 0.086 0.000 0.929 195 S CB 0.176 63.419 63.200 0.072 0.000 0.769 195 S HN 0.392 nan 8.310 nan 0.000 0.529 196 G N -0.025 108.872 108.800 0.161 0.000 2.201 196 G HA2 -0.179 3.920 3.960 0.231 0.000 0.212 196 G HA3 -0.179 3.920 3.960 0.231 0.000 0.212 196 G C 0.130 175.175 174.900 0.243 0.000 0.994 196 G CA -0.027 45.135 45.100 0.103 0.000 0.644 196 G HN 0.604 nan 8.290 nan 0.000 0.508 197 T N 1.247 115.936 114.554 0.226 0.000 2.869 197 T HA 0.534 5.023 4.350 0.231 0.000 0.295 197 T C 0.278 175.102 174.700 0.208 0.000 0.987 197 T CA -0.093 62.117 62.100 0.184 0.000 1.109 197 T CB 2.448 71.390 68.868 0.124 0.000 0.932 197 T HN 0.460 nan 8.240 nan 0.000 0.518 198 V N 4.575 124.582 119.914 0.155 0.000 2.398 198 V HA 0.347 4.605 4.120 0.231 0.000 0.286 198 V C -0.520 175.618 176.094 0.074 0.000 1.026 198 V CA -0.917 61.436 62.300 0.088 0.000 0.868 198 V CB 1.330 33.191 31.823 0.065 0.000 0.982 198 V HN 0.564 nan 8.190 nan 0.000 0.443 199 L N 6.183 127.447 121.223 0.069 0.000 2.272 199 L HA 0.544 5.022 4.340 0.231 0.000 0.289 199 L C -0.054 176.862 176.870 0.078 0.000 1.032 199 L CA -0.074 54.812 54.840 0.077 0.000 0.810 199 L CB 1.639 43.750 42.059 0.086 0.000 1.205 199 L HN 0.419 nan 8.230 nan 0.000 0.422 200 V N 4.464 124.424 119.914 0.077 0.000 2.483 200 V HA 0.600 4.859 4.120 0.231 0.000 0.295 200 V C 0.076 176.229 176.094 0.099 0.000 1.035 200 V CA -0.974 61.377 62.300 0.085 0.000 0.896 200 V CB 1.676 33.533 31.823 0.057 0.000 0.986 200 V HN 0.570 nan 8.190 nan 0.000 0.447 201 K N 2.697 123.172 120.400 0.125 0.000 2.328 201 K HA 0.876 5.335 4.320 0.231 0.000 0.246 201 K C -0.550 176.127 176.600 0.129 0.000 0.955 201 K CA -0.554 55.795 56.287 0.104 0.000 0.817 201 K CB 2.697 35.247 32.500 0.084 0.000 1.208 201 K HN 0.763 nan 8.250 nan 0.000 0.432 202 A N 2.066 124.938 122.820 0.086 0.000 2.350 202 A HA 0.729 5.188 4.320 0.231 0.000 0.324 202 A C -1.472 176.072 177.584 -0.067 0.000 1.118 202 A CA -0.641 51.444 52.037 0.081 0.000 0.783 202 A CB 0.648 19.758 19.000 0.183 0.000 1.236 202 A HN 0.624 nan 8.150 nan 0.000 0.457 203 Y N 0.083 120.269 120.300 -0.191 0.000 2.409 203 Y HA 0.615 5.303 4.550 0.230 0.000 0.339 203 Y C -0.797 174.896 175.900 -0.346 0.000 1.033 203 Y CA -0.319 57.681 58.100 -0.166 0.000 1.094 203 Y CB 2.068 40.433 38.460 -0.158 0.000 1.210 203 Y HN 0.575 nan 8.280 nan 0.000 0.456 204 F N 2.226 122.175 119.950 -0.002 0.000 2.477 204 F HA 0.408 5.074 4.527 0.233 0.000 0.335 204 F C -1.139 174.618 175.800 -0.071 0.000 1.130 204 F CA -1.073 56.939 58.000 0.020 0.000 0.948 204 F CB 1.060 40.029 39.000 -0.051 0.000 1.154 204 F HN 0.373 nan 8.300 nan 0.000 0.439 205 Y N 4.138 124.560 120.300 0.202 0.000 2.575 205 Y HA 0.304 4.992 4.550 0.230 0.000 0.326 205 Y C -1.938 174.097 175.900 0.226 0.000 0.979 205 Y CA -2.045 56.172 58.100 0.194 0.000 1.286 205 Y CB 1.106 39.609 38.460 0.071 0.000 1.093 205 Y HN 0.312 nan 8.280 nan 0.000 0.501 206 P HA 0.077 nan 4.420 nan 0.000 0.249 206 P C 0.270 177.699 177.300 0.215 0.000 1.583 206 P CA 0.090 63.325 63.100 0.225 0.000 0.988 206 P CB 0.733 32.532 31.700 0.165 0.000 1.530 207 Q N 0.741 120.726 119.800 0.309 0.000 2.124 207 Q HA -0.076 4.403 4.340 0.231 0.000 0.202 207 Q C -0.604 175.590 176.000 0.323 0.000 0.977 207 Q CA 2.339 58.354 55.803 0.353 0.000 0.850 207 Q CB -1.907 27.124 28.738 0.488 0.000 0.901 207 Q HN 0.378 nan 8.270 nan 0.000 0.429 208 P HA -0.113 nan 4.420 nan 0.000 0.216 208 P C 0.793 177.986 177.300 -0.179 0.000 1.153 208 P CA 1.157 64.027 63.100 -0.384 0.000 0.844 208 P CB 0.082 31.327 31.700 -0.758 0.000 0.787 209 K N -0.130 120.221 120.400 -0.081 0.000 2.103 209 K HA -0.123 4.336 4.320 0.231 0.000 0.207 209 K C 2.336 178.946 176.600 0.016 0.000 1.048 209 K CA 1.603 57.868 56.287 -0.035 0.000 0.930 209 K CB -1.064 31.443 32.500 0.011 0.000 0.716 209 K HN -0.110 nan 8.250 nan 0.000 0.444 210 S N -0.495 115.245 115.700 0.068 0.000 2.359 210 S HA -0.174 4.434 4.470 0.231 0.000 0.224 210 S C 1.950 176.604 174.600 0.090 0.000 1.035 210 S CA 1.448 59.703 58.200 0.092 0.000 1.018 210 S CB -0.543 62.734 63.200 0.128 0.000 0.876 210 S HN 0.476 nan 8.310 nan 0.000 0.448 211 A N 0.885 123.780 122.820 0.124 0.000 1.908 211 A HA -0.065 4.394 4.320 0.231 0.000 0.218 211 A C 2.385 180.011 177.584 0.071 0.000 1.181 211 A CA 2.063 54.185 52.037 0.141 0.000 0.627 211 A CB -1.033 18.141 19.000 0.290 0.000 0.818 211 A HN 0.949 nan 8.150 nan 0.000 0.445 212 V N -2.593 117.332 119.914 0.018 0.000 2.788 212 V HA -0.036 4.223 4.120 0.231 0.000 0.251 212 V C 2.033 178.132 176.094 0.008 0.000 1.068 212 V CA 2.111 64.410 62.300 -0.003 0.000 1.090 212 V CB -1.149 30.644 31.823 -0.051 0.000 0.710 212 V HN 0.645 nan 8.190 nan 0.000 0.467 213 T N -3.478 111.086 114.554 0.016 0.000 3.022 213 T HA 0.400 4.888 4.350 0.231 0.000 0.250 213 T C 1.693 176.411 174.700 0.030 0.000 1.060 213 T CA 0.748 62.860 62.100 0.020 0.000 1.013 213 T CB 0.271 69.151 68.868 0.020 0.000 0.982 213 T HN 1.569 nan 8.240 nan 0.000 0.508 214 G N 2.085 110.909 108.800 0.040 0.000 2.198 214 G HA2 -0.255 3.844 3.960 0.231 0.000 0.260 214 G HA3 -0.255 3.844 3.960 0.231 0.000 0.260 214 G C -0.042 174.887 174.900 0.048 0.000 1.025 214 G CA -0.141 44.985 45.100 0.044 0.000 0.769 214 G HN 0.663 nan 8.290 nan 0.000 0.507 215 R N 0.460 120.992 120.500 0.054 0.000 2.393 215 R HA 0.544 5.022 4.340 0.231 0.000 0.310 215 R C 0.885 177.230 176.300 0.075 0.000 0.968 215 R CA 0.069 56.205 56.100 0.060 0.000 0.867 215 R CB 1.458 31.792 30.300 0.057 0.000 1.124 215 R HN 0.474 nan 8.270 nan 0.000 0.450 216 S N 1.059 116.808 115.700 0.082 0.000 2.576 216 S HA -0.013 4.596 4.470 0.231 0.000 0.272 216 S C 1.150 175.817 174.600 0.111 0.000 1.352 216 S CA -0.380 57.879 58.200 0.098 0.000 1.021 216 S CB 1.124 64.387 63.200 0.104 0.000 0.887 216 S HN 0.559 nan 8.310 nan 0.000 0.542 217 T N 0.952 115.580 114.554 0.124 0.000 2.720 217 T HA -0.168 4.321 4.350 0.231 0.000 0.268 217 T C 1.668 176.451 174.700 0.138 0.000 1.037 217 T CA 1.815 63.993 62.100 0.130 0.000 1.144 217 T CB -0.584 68.364 68.868 0.134 0.000 0.864 217 T HN 0.845 nan 8.240 nan 0.000 0.444 218 E N 0.747 121.046 120.200 0.166 0.000 2.038 218 E HA -0.223 4.265 4.350 0.231 0.000 0.195 218 E C 1.742 178.459 176.600 0.195 0.000 1.000 218 E CA 1.534 58.067 56.400 0.221 0.000 0.803 218 E CB -0.081 29.743 29.700 0.208 0.000 0.750 218 E HN 0.346 nan 8.360 nan 0.000 0.448 219 D N 0.365 120.850 120.400 0.142 0.000 2.178 219 D HA -0.129 4.650 4.640 0.231 0.000 0.201 219 D C 2.132 178.502 176.300 0.117 0.000 0.980 219 D CA 0.647 54.718 54.000 0.117 0.000 0.842 219 D CB -0.136 40.717 40.800 0.089 0.000 0.948 219 D HN 0.266 nan 8.370 nan 0.000 0.472 220 L N 0.085 121.378 121.223 0.116 0.000 2.005 220 L HA -0.133 4.346 4.340 0.231 0.000 0.207 220 L C 2.557 179.502 176.870 0.126 0.000 1.072 220 L CA 0.714 55.617 54.840 0.106 0.000 0.744 220 L CB -0.364 41.752 42.059 0.096 0.000 0.895 220 L HN 0.031 nan 8.230 nan 0.000 0.433 221 L N -1.073 120.233 121.223 0.139 0.000 1.994 221 L HA -0.220 4.259 4.340 0.231 0.000 0.208 221 L C 2.522 179.547 176.870 0.259 0.000 1.071 221 L CA 1.086 56.017 54.840 0.153 0.000 0.745 221 L CB -0.649 41.446 42.059 0.060 0.000 0.892 221 L HN 0.050 nan 8.230 nan 0.000 0.431 222 V N 0.168 120.257 119.914 0.291 0.000 2.295 222 V HA -0.265 3.993 4.120 0.231 0.000 0.246 222 V C 2.229 178.419 176.094 0.161 0.000 1.049 222 V CA 1.933 64.366 62.300 0.222 0.000 1.024 222 V CB -0.724 31.194 31.823 0.159 0.000 0.648 222 V HN 0.487 nan 8.190 nan 0.000 0.447 223 N N 0.599 119.378 118.700 0.132 0.000 2.205 223 N HA -0.128 4.751 4.740 0.231 0.000 0.186 223 N C 1.811 177.386 175.510 0.108 0.000 1.015 223 N CA 1.620 54.729 53.050 0.099 0.000 0.862 223 N CB -0.541 37.991 38.487 0.076 0.000 0.986 223 N HN 0.517 nan 8.380 nan 0.000 0.429 224 A N 1.251 124.163 122.820 0.153 0.000 1.855 224 A HA -0.044 4.415 4.320 0.231 0.000 0.215 224 A C 2.345 180.083 177.584 0.257 0.000 1.191 224 A CA 0.938 53.093 52.037 0.198 0.000 0.613 224 A CB -0.715 18.472 19.000 0.312 0.000 0.829 224 A HN 0.183 nan 8.150 nan 0.000 0.442 225 I N -1.113 119.674 120.570 0.361 0.000 2.179 225 I HA -0.255 4.053 4.170 0.231 0.000 0.242 225 I C 2.697 178.963 176.117 0.248 0.000 1.088 225 I CA 1.842 63.366 61.300 0.373 0.000 1.357 225 I CB -0.267 37.899 38.000 0.278 0.000 1.051 225 I HN 0.295 nan 8.210 nan 0.000 0.409 226 R N 1.344 121.953 120.500 0.181 0.000 2.105 226 R HA -0.204 4.275 4.340 0.231 0.000 0.239 226 R C 2.249 178.595 176.300 0.076 0.000 1.135 226 R CA 1.604 57.779 56.100 0.126 0.000 0.967 226 R CB -0.225 30.129 30.300 0.090 0.000 0.861 226 R HN 0.228 nan 8.270 nan 0.000 0.442 227 K N -0.484 119.945 120.400 0.048 0.000 2.116 227 K HA -0.033 4.426 4.320 0.231 0.000 0.203 227 K C 1.610 178.185 176.600 -0.041 0.000 1.052 227 K CA 1.279 57.564 56.287 -0.003 0.000 0.952 227 K CB 0.231 32.719 32.500 -0.021 0.000 0.729 227 K HN 0.109 nan 8.250 nan 0.000 0.446 228 V N 1.457 121.320 119.914 -0.085 0.000 2.548 228 V HA -0.144 4.114 4.120 0.231 0.000 0.249 228 V C 0.777 176.861 176.094 -0.017 0.000 1.055 228 V CA 1.220 63.430 62.300 -0.151 0.000 1.065 228 V CB -0.438 31.118 31.823 -0.444 0.000 0.681 228 V HN 0.311 nan 8.190 nan 0.000 0.462 229 D N 0.234 120.682 120.400 0.081 0.000 2.498 229 D HA 0.061 4.840 4.640 0.231 0.000 0.229 229 D C 1.538 177.825 176.300 -0.023 0.000 1.188 229 D CA 0.222 54.261 54.000 0.065 0.000 1.028 229 D CB 0.134 41.047 40.800 0.188 0.000 1.087 229 D HN 0.163 nan 8.370 nan 0.000 0.510 230 R N 1.614 122.087 120.500 -0.045 0.000 2.070 230 R HA -0.155 4.324 4.340 0.231 0.000 0.233 230 R C 2.073 178.333 176.300 -0.068 0.000 1.137 230 R CA 1.788 57.859 56.100 -0.048 0.000 0.945 230 R CB -0.075 30.199 30.300 -0.042 0.000 0.845 230 R HN 0.490 nan 8.270 nan 0.000 0.430 231 E N -0.077 120.061 120.200 -0.103 0.000 2.418 231 E HA 0.005 4.494 4.350 0.231 0.000 0.197 231 E C 1.219 177.739 176.600 -0.134 0.000 1.026 231 E CA 0.810 57.141 56.400 -0.116 0.000 0.862 231 E CB -0.713 28.904 29.700 -0.137 0.000 0.799 231 E HN 0.566 nan 8.360 nan 0.000 0.518 232 G N 0.209 108.919 108.800 -0.150 0.000 2.160 232 G HA2 -0.371 3.727 3.960 0.231 0.000 0.251 232 G HA3 -0.371 3.727 3.960 0.231 0.000 0.251 232 G C 1.163 175.953 174.900 -0.185 0.000 1.008 232 G CA 0.619 45.644 45.100 -0.126 0.000 0.724 232 G HN 0.504 nan 8.290 nan 0.000 0.514 233 R N -1.157 119.132 120.500 -0.352 0.000 2.120 233 R HA 0.011 4.490 4.340 0.231 0.000 0.234 233 R C 1.731 177.857 176.300 -0.290 0.000 1.123 233 R CA 1.673 57.539 56.100 -0.391 0.000 0.975 233 R CB -0.245 29.724 30.300 -0.552 0.000 0.866 233 R HN 0.493 nan 8.270 nan 0.000 0.446 234 F N 0.067 120.010 119.950 -0.010 0.000 2.776 234 F HA 0.083 4.748 4.527 0.231 0.000 0.300 234 F C 2.080 177.858 175.800 -0.035 0.000 1.116 234 F CA 0.041 58.034 58.000 -0.012 0.000 1.375 234 F CB -0.365 38.653 39.000 0.030 0.000 1.109 234 F HN -0.063 nan 8.300 nan 0.000 0.585 235 E N 0.805 121.053 120.200 0.080 0.000 2.085 235 E HA -0.170 4.319 4.350 0.231 0.000 0.194 235 E C 2.025 178.613 176.600 -0.021 0.000 0.994 235 E CA 2.197 58.615 56.400 0.030 0.000 0.801 235 E CB -0.539 29.154 29.700 -0.010 0.000 0.743 235 E HN 0.212 nan 8.360 nan 0.000 0.453 236 T N 0.357 114.880 114.554 -0.051 0.000 2.701 236 T HA -0.123 4.366 4.350 0.231 0.000 0.263 236 T C 1.804 176.408 174.700 -0.160 0.000 1.040 236 T CA 1.487 63.519 62.100 -0.113 0.000 1.147 236 T CB -0.228 68.564 68.868 -0.127 0.000 0.865 236 T HN 0.275 nan 8.240 nan 0.000 0.426 237 Q N 0.139 119.869 119.800 -0.117 0.000 2.084 237 Q HA -0.067 4.412 4.340 0.231 0.000 0.202 237 Q C 2.322 178.239 176.000 -0.138 0.000 0.978 237 Q CA 1.060 56.773 55.803 -0.150 0.000 0.844 237 Q CB -0.312 28.396 28.738 -0.049 0.000 0.898 237 Q HN 0.291 nan 8.270 nan 0.000 0.426 238 L N 0.651 121.834 121.223 -0.067 0.000 2.046 238 L HA -0.145 4.333 4.340 0.231 0.000 0.208 238 L C 2.172 178.970 176.870 -0.120 0.000 1.077 238 L CA 2.066 56.853 54.840 -0.089 0.000 0.747 238 L CB -0.812 41.245 42.059 -0.003 0.000 0.896 238 L HN 0.132 nan 8.230 nan 0.000 0.432 239 A N -0.414 122.343 122.820 -0.105 0.000 1.883 239 A HA -0.234 4.225 4.320 0.231 0.000 0.217 239 A C 2.071 179.576 177.584 -0.132 0.000 1.186 239 A CA 2.017 53.992 52.037 -0.104 0.000 0.624 239 A CB -0.789 18.150 19.000 -0.101 0.000 0.822 239 A HN 0.615 nan 8.150 nan 0.000 0.444 240 N N -0.457 118.115 118.700 -0.214 0.000 2.331 240 N HA -0.081 4.797 4.740 0.231 0.000 0.180 240 N C 1.525 176.980 175.510 -0.091 0.000 1.019 240 N CA 1.187 54.083 53.050 -0.258 0.000 0.881 240 N CB -0.440 37.650 38.487 -0.663 0.000 0.972 240 N HN 0.428 nan 8.380 nan 0.000 0.435 241 L N 1.610 122.764 121.223 -0.114 0.000 2.056 241 L HA -0.085 4.394 4.340 0.231 0.000 0.207 241 L C 2.079 178.918 176.870 -0.051 0.000 1.078 241 L CA 1.628 56.431 54.840 -0.062 0.000 0.749 241 L CB -0.701 41.182 42.059 -0.295 0.000 0.901 241 L HN 0.099 nan 8.230 nan 0.000 0.433 242 Q N -0.703 119.036 119.800 -0.102 0.000 2.050 242 Q HA -0.222 4.256 4.340 0.231 0.000 0.202 242 Q C 2.346 178.340 176.000 -0.009 0.000 0.980 242 Q CA 1.967 57.734 55.803 -0.060 0.000 0.840 242 Q CB -0.151 28.552 28.738 -0.057 0.000 0.898 242 Q HN 0.497 nan 8.270 nan 0.000 0.424 243 R N -0.621 119.881 120.500 0.003 0.000 2.105 243 R HA -0.207 4.271 4.340 0.231 0.000 0.239 243 R C 2.152 178.495 176.300 0.070 0.000 1.135 243 R CA 1.585 57.700 56.100 0.025 0.000 0.967 243 R CB -0.380 29.931 30.300 0.018 0.000 0.861 243 R HN 0.330 nan 8.270 nan 0.000 0.442 244 Y N 1.269 121.577 120.300 0.012 0.000 2.163 244 Y HA -0.127 4.562 4.550 0.231 0.000 0.288 244 Y C 1.942 177.791 175.900 -0.085 0.000 1.136 244 Y CA 1.290 59.390 58.100 -0.000 0.000 1.147 244 Y CB -0.193 38.328 38.460 0.102 0.000 0.987 244 Y HN -0.084 nan 8.280 nan 0.000 0.509 245 I N 0.166 120.668 120.570 -0.113 0.000 2.361 245 I HA -0.262 4.046 4.170 0.231 0.000 0.251 245 I C 2.308 178.347 176.117 -0.131 0.000 1.133 245 I CA 1.691 62.932 61.300 -0.098 0.000 1.413 245 I CB -0.319 37.739 38.000 0.096 0.000 1.073 245 I HN 0.256 nan 8.210 nan 0.000 0.424 246 E N 1.196 121.338 120.200 -0.096 0.000 2.028 246 E HA -0.229 4.260 4.350 0.231 0.000 0.191 246 E C 2.230 178.757 176.600 -0.123 0.000 0.988 246 E CA 1.348 57.702 56.400 -0.077 0.000 0.799 246 E CB 0.021 29.697 29.700 -0.041 0.000 0.755 246 E HN 0.138 nan 8.360 nan 0.000 0.447 247 R N -0.095 120.305 120.500 -0.166 0.000 2.103 247 R HA -0.046 4.433 4.340 0.231 0.000 0.242 247 R C 2.342 178.491 176.300 -0.251 0.000 1.142 247 R CA 1.607 57.597 56.100 -0.183 0.000 0.960 247 R CB -0.110 30.085 30.300 -0.174 0.000 0.858 247 R HN 0.059 nan 8.270 nan 0.000 0.439 248 R N 0.212 120.466 120.500 -0.408 0.000 2.092 248 R HA -0.086 4.393 4.340 0.231 0.000 0.231 248 R C 2.159 178.342 176.300 -0.195 0.000 1.119 248 R CA 1.594 57.470 56.100 -0.374 0.000 0.970 248 R CB -0.516 29.442 30.300 -0.570 0.000 0.864 248 R HN 0.413 nan 8.270 nan 0.000 0.440 249 R N 0.675 121.085 120.500 -0.150 0.000 2.115 249 R HA -0.021 4.458 4.340 0.231 0.000 0.230 249 R C 1.341 177.601 176.300 -0.067 0.000 1.111 249 R CA 1.103 57.149 56.100 -0.090 0.000 0.976 249 R CB -0.284 29.982 30.300 -0.058 0.000 0.870 249 R HN 0.009 nan 8.270 nan 0.000 0.445 275 S N 2.780 118.499 115.700 0.033 0.000 2.604 275 S HA 0.307 4.915 4.470 0.231 0.000 0.235 275 S C -0.193 174.496 174.600 0.148 0.000 1.043 275 S CA -0.043 58.283 58.200 0.211 0.000 0.997 275 S CB 0.041 63.462 63.200 0.368 0.000 0.956 275 S HN 0.779 nan 8.310 nan 0.000 0.535 276 F N 2.507 122.299 119.950 -0.263 0.000 2.411 276 F HA 0.672 5.337 4.527 0.231 0.000 0.350 276 F C -1.387 174.169 175.800 -0.407 0.000 1.114 276 F CA -1.654 56.267 58.000 -0.131 0.000 1.135 276 F CB 0.606 39.554 39.000 -0.087 0.000 1.120 276 F HN 0.023 nan 8.300 nan 0.000 0.495 277 F N 6.660 126.508 119.950 -0.171 0.000 2.659 277 F HA 0.385 5.050 4.527 0.231 0.000 0.342 277 F C -2.365 173.353 175.800 -0.136 0.000 1.168 277 F CA -2.580 55.366 58.000 -0.091 0.000 1.003 277 F CB 1.263 40.241 39.000 -0.038 0.000 1.267 277 F HN 0.330 nan 8.300 nan 0.000 0.463 278 P HA 0.026 nan 4.420 nan 0.000 0.264 278 P C -0.048 177.308 177.300 0.094 0.000 1.193 278 P CA 0.589 63.752 63.100 0.106 0.000 0.763 278 P CB 0.743 32.605 31.700 0.271 0.000 0.810 279 H N 3.300 122.310 119.070 -0.099 0.000 2.179 279 H HA 0.315 5.010 4.556 0.232 0.000 0.246 279 H C 0.160 175.534 175.328 0.076 0.000 0.904 279 H CA 0.717 56.811 56.048 0.077 0.000 1.113 279 H CB 0.533 30.416 29.762 0.201 0.000 1.396 279 H HN 0.409 nan 8.280 nan 0.000 0.484 280 F N -0.016 119.849 119.950 -0.141 0.000 2.779 280 F HA 0.504 5.170 4.527 0.232 0.000 0.316 280 F C -1.841 173.769 175.800 -0.318 0.000 1.164 280 F CA -1.499 56.273 58.000 -0.380 0.000 0.924 280 F CB 1.017 39.421 39.000 -0.993 0.000 1.348 280 F HN -0.080 nan 8.300 nan 0.000 0.467 281 L N 0.420 121.584 121.223 -0.099 0.000 2.283 281 L HA 1.005 5.483 4.340 0.231 0.000 0.259 281 L C -0.486 176.394 176.870 0.016 0.000 1.027 281 L CA -0.934 53.867 54.840 -0.065 0.000 0.828 281 L CB 1.575 43.485 42.059 -0.248 0.000 1.380 281 L HN 1.023 nan 8.230 nan 0.000 0.425 282 S N -1.138 114.544 115.700 -0.030 0.000 2.564 282 S HA 0.864 5.472 4.470 0.231 0.000 0.274 282 S C -0.695 173.798 174.600 -0.178 0.000 1.124 282 S CA -0.195 57.861 58.200 -0.240 0.000 0.869 282 S CB 1.800 64.545 63.200 -0.758 0.000 1.105 282 S HN 1.174 nan 8.310 nan 0.000 0.472 283 T N 0.964 115.463 114.554 -0.093 0.000 2.900 283 T HA 0.583 5.072 4.350 0.231 0.000 0.295 283 T C -1.550 173.198 174.700 0.080 0.000 1.044 283 T CA -0.616 61.514 62.100 0.050 0.000 0.995 283 T CB 1.214 70.227 68.868 0.241 0.000 1.072 283 T HN 0.878 nan 8.240 nan 0.000 0.473 284 D N 2.517 122.985 120.400 0.113 0.000 2.383 284 D HA 0.320 5.099 4.640 0.231 0.000 0.248 284 D C -0.163 176.230 176.300 0.156 0.000 1.170 284 D CA -0.652 53.419 54.000 0.119 0.000 0.977 284 D CB 0.536 41.406 40.800 0.116 0.000 1.120 284 D HN 0.464 nan 8.370 nan 0.000 0.481 285 L N 0.714 122.016 121.223 0.131 0.000 2.506 285 L HA 0.375 4.854 4.340 0.231 0.000 0.247 285 L C -0.225 176.709 176.870 0.107 0.000 1.141 285 L CA -0.686 54.232 54.840 0.129 0.000 0.973 285 L CB 0.552 42.671 42.059 0.100 0.000 1.319 285 L HN 0.402 nan 8.230 nan 0.000 0.455 286 V N -3.078 116.907 119.914 0.118 0.000 3.105 286 V HA 0.492 4.751 4.120 0.231 0.000 0.311 286 V C 0.001 176.157 176.094 0.103 0.000 1.287 286 V CA -0.897 61.463 62.300 0.101 0.000 1.066 286 V CB 1.854 33.737 31.823 0.100 0.000 1.105 286 V HN 0.166 nan 8.190 nan 0.000 0.462 287 E N 1.241 121.493 120.200 0.085 0.000 2.608 287 E HA 0.109 4.597 4.350 0.231 0.000 0.259 287 E C -1.830 174.821 176.600 0.084 0.000 0.951 287 E CA 0.186 56.631 56.400 0.076 0.000 0.945 287 E CB 0.702 30.437 29.700 0.058 0.000 0.916 287 E HN 0.803 nan 8.360 nan 0.000 0.477 288 P HA -0.112 nan 4.420 nan 0.000 0.215 288 P C 1.378 178.712 177.300 0.057 0.000 1.157 288 P CA 1.774 64.923 63.100 0.081 0.000 0.874 288 P CB -0.070 31.662 31.700 0.054 0.000 0.790 289 G N -1.252 107.563 108.800 0.025 0.000 2.679 289 G HA2 -0.147 3.951 3.960 0.231 0.000 0.212 289 G HA3 -0.147 3.951 3.960 0.231 0.000 0.212 289 G C 1.311 176.212 174.900 0.002 0.000 1.137 289 G CA 0.275 45.368 45.100 -0.012 0.000 0.787 289 G HN 0.209 nan 8.290 nan 0.000 0.534 290 K N 0.011 120.438 120.400 0.045 0.000 2.358 290 K HA 0.363 4.822 4.320 0.231 0.000 0.200 290 K C 1.050 177.723 176.600 0.122 0.000 1.030 290 K CA -0.379 55.948 56.287 0.066 0.000 1.097 290 K CB 0.938 33.477 32.500 0.065 0.000 0.862 290 K HN 0.227 nan 8.250 nan 0.000 0.534 291 S N 1.036 116.834 115.700 0.164 0.000 2.593 291 S HA 0.440 5.048 4.470 0.231 0.000 0.269 291 S C 0.020 174.849 174.600 0.381 0.000 1.334 291 S CA -0.288 58.061 58.200 0.248 0.000 1.015 291 S CB 0.438 63.797 63.200 0.265 0.000 0.912 291 S HN 0.341 nan 8.310 nan 0.000 0.541 292 R N 0.825 121.518 120.500 0.322 0.000 2.604 292 R HA 0.567 5.046 4.340 0.231 0.000 0.281 292 R C -1.721 174.643 176.300 0.106 0.000 1.020 292 R CA -0.650 55.621 56.100 0.286 0.000 0.899 292 R CB 1.786 32.270 30.300 0.306 0.000 1.205 292 R HN 0.353 nan 8.270 nan 0.000 0.450 293 V N 2.381 122.211 119.914 -0.140 0.000 2.667 293 V HA 0.451 4.710 4.120 0.231 0.000 0.308 293 V C -0.399 175.640 176.094 -0.092 0.000 1.048 293 V CA -0.889 61.302 62.300 -0.181 0.000 0.928 293 V CB 2.184 33.780 31.823 -0.378 0.000 1.004 293 V HN 0.618 nan 8.190 nan 0.000 0.444 294 K N 3.266 123.596 120.400 -0.117 0.000 2.413 294 K HA 0.486 4.944 4.320 0.231 0.000 0.257 294 K C -1.320 175.190 176.600 -0.149 0.000 0.946 294 K CA -0.351 55.807 56.287 -0.215 0.000 0.823 294 K CB 2.159 34.315 32.500 -0.573 0.000 1.109 294 K HN 0.581 nan 8.250 nan 0.000 0.427 295 F N 3.745 123.589 119.950 -0.177 0.000 2.405 295 F HA 0.320 4.986 4.527 0.231 0.000 0.355 295 F C -0.966 174.783 175.800 -0.085 0.000 1.121 295 F CA -0.467 57.510 58.000 -0.039 0.000 1.112 295 F CB 0.481 39.537 39.000 0.094 0.000 1.126 295 F HN 0.414 nan 8.300 nan 0.000 0.481 296 Y N 4.472 124.499 120.300 -0.454 0.000 2.342 296 Y HA 0.698 5.386 4.550 0.231 0.000 0.334 296 Y C 0.049 175.756 175.900 -0.323 0.000 1.067 296 Y CA -0.871 56.926 58.100 -0.504 0.000 1.128 296 Y CB 1.609 39.121 38.460 -1.580 0.000 1.200 296 Y HN 0.680 nan 8.280 nan 0.000 0.464 297 A N 1.542 124.452 122.820 0.150 0.000 2.449 297 A HA 0.726 5.185 4.320 0.231 0.000 0.302 297 A C -0.759 176.914 177.584 0.148 0.000 1.048 297 A CA -0.739 51.333 52.037 0.057 0.000 0.708 297 A CB 1.168 20.025 19.000 -0.239 0.000 1.274 297 A HN 0.699 nan 8.150 nan 0.000 0.410 298 S N 0.881 116.689 115.700 0.181 0.000 2.509 298 S HA 0.718 5.326 4.470 0.231 0.000 0.297 298 S C -0.582 174.222 174.600 0.341 0.000 1.118 298 S CA -0.403 57.998 58.200 0.334 0.000 1.074 298 S CB 1.610 65.053 63.200 0.406 0.000 1.038 298 S HN 0.850 nan 8.310 nan 0.000 0.498 299 E N 0.849 121.325 120.200 0.459 0.000 2.248 299 E HA 0.454 4.942 4.350 0.231 0.000 0.267 299 E C 0.636 177.467 176.600 0.385 0.000 0.877 299 E CA -0.795 55.907 56.400 0.504 0.000 0.759 299 E CB 1.296 31.405 29.700 0.681 0.000 1.182 299 E HN 0.733 nan 8.360 nan 0.000 0.418 300 R N 2.908 123.575 120.500 0.278 0.000 2.282 300 R HA 0.209 4.688 4.340 0.231 0.000 0.195 300 R C -0.000 176.286 176.300 -0.022 0.000 0.909 300 R CA -0.173 55.950 56.100 0.038 0.000 1.039 300 R CB 0.070 30.235 30.300 -0.225 0.000 1.015 300 R HN 0.414 nan 8.270 nan 0.000 0.513 301 H N 2.262 121.496 119.070 0.272 0.000 3.224 301 H HA 0.149 4.843 4.556 0.231 0.000 0.265 301 H C -0.435 175.031 175.328 0.231 0.000 1.461 301 H CA -0.146 56.059 56.048 0.261 0.000 1.509 301 H CB 0.713 30.618 29.762 0.238 0.000 1.686 301 H HN -0.137 nan 8.280 nan 0.000 0.514 302 V N 5.718 125.797 119.914 0.275 0.000 2.229 302 V HA 0.016 4.274 4.120 0.231 0.000 0.245 302 V C 0.098 176.438 176.094 0.410 0.000 1.243 302 V CA -0.248 62.281 62.300 0.381 0.000 1.176 302 V CB -0.875 31.168 31.823 0.366 0.000 1.323 302 V HN 0.776 nan 8.190 nan 0.000 0.499 303 N N 2.564 121.453 118.700 0.315 0.000 2.591 303 N HA 0.377 5.256 4.740 0.231 0.000 0.263 303 N C -0.022 175.338 175.510 -0.251 0.000 1.308 303 N CA -0.952 52.168 53.050 0.117 0.000 0.837 303 N CB 1.395 39.936 38.487 0.090 0.000 1.548 303 N HN 0.051 nan 8.380 nan 0.000 0.493 304 L N -0.336 120.568 121.223 -0.532 0.000 2.291 304 L HA -0.032 4.446 4.340 0.231 0.000 0.214 304 L C 1.465 178.119 176.870 -0.360 0.000 1.120 304 L CA 1.068 55.474 54.840 -0.722 0.000 0.799 304 L CB -0.200 41.357 42.059 -0.837 0.000 0.925 304 L HN 0.641 nan 8.230 nan 0.000 0.446 305 Q N -1.280 118.387 119.800 -0.223 0.000 2.123 305 Q HA -0.169 4.309 4.340 0.231 0.000 0.199 305 Q C 2.006 177.942 176.000 -0.106 0.000 0.966 305 Q CA 1.324 57.038 55.803 -0.149 0.000 0.845 305 Q CB -0.171 28.496 28.738 -0.119 0.000 0.907 305 Q HN 0.261 nan 8.270 nan 0.000 0.439 306 M N -0.620 118.938 119.600 -0.069 0.000 2.175 306 M HA -0.090 4.528 4.480 0.231 0.000 0.264 306 M C 1.631 177.940 176.300 0.016 0.000 1.063 306 M CA 1.118 56.419 55.300 0.001 0.000 1.119 306 M CB -0.202 32.463 32.600 0.109 0.000 1.377 306 M HN 0.048 nan 8.290 nan 0.000 0.415 307 V N 0.336 120.263 119.914 0.022 0.000 2.332 307 V HA -0.307 3.951 4.120 0.231 0.000 0.248 307 V C 2.325 178.445 176.094 0.043 0.000 1.055 307 V CA 2.342 64.715 62.300 0.121 0.000 1.038 307 V CB -1.118 30.707 31.823 0.004 0.000 0.651 307 V HN 0.652 nan 8.190 nan 0.000 0.450 308 E N 0.361 120.526 120.200 -0.059 0.000 2.077 308 E HA -0.309 4.179 4.350 0.231 0.000 0.193 308 E C 1.934 178.514 176.600 -0.033 0.000 0.989 308 E CA 1.791 58.168 56.400 -0.039 0.000 0.800 308 E CB -0.250 29.395 29.700 -0.092 0.000 0.746 308 E HN 0.713 nan 8.360 nan 0.000 0.452 309 D N -0.179 120.182 120.400 -0.066 0.000 2.104 309 D HA -0.170 4.608 4.640 0.231 0.000 0.194 309 D C 1.943 178.123 176.300 -0.199 0.000 0.994 309 D CA 1.916 55.872 54.000 -0.073 0.000 0.830 309 D CB 0.001 40.779 40.800 -0.038 0.000 0.959 309 D HN 0.295 nan 8.370 nan 0.000 0.452 310 I N -0.424 119.971 120.570 -0.292 0.000 2.193 310 I HA -0.164 4.145 4.170 0.231 0.000 0.240 310 I C 2.263 177.955 176.117 -0.708 0.000 1.084 310 I CA 0.493 61.391 61.300 -0.670 0.000 1.365 310 I CB -0.500 36.999 38.000 -0.834 0.000 1.064 310 I HN 0.327 nan 8.210 nan 0.000 0.410 311 W N 2.243 123.267 121.300 -0.460 0.000 2.305 311 W HA -0.279 4.519 4.660 0.230 0.000 0.308 311 W C 2.261 178.660 176.519 -0.201 0.000 1.226 311 W CA 2.467 59.677 57.345 -0.226 0.000 1.253 311 W CB -0.185 29.239 29.460 -0.059 0.000 1.146 311 W HN 0.279 nan 8.180 nan 0.000 0.507 312 T N -2.970 111.562 114.554 -0.037 0.000 3.163 312 T HA 0.091 4.580 4.350 0.231 0.000 0.252 312 T C 0.459 175.084 174.700 -0.126 0.000 1.056 312 T CA -0.354 61.715 62.100 -0.051 0.000 0.947 312 T CB -1.183 67.686 68.868 0.002 0.000 1.016 312 T HN 0.073 nan 8.240 nan 0.000 0.554 313 F N 1.825 121.454 119.950 -0.534 0.000 2.829 313 F HA -0.107 4.559 4.527 0.231 0.000 0.237 313 F C 1.476 177.132 175.800 -0.239 0.000 1.017 313 F CA 0.866 58.453 58.000 -0.689 0.000 0.882 313 F CB -1.988 36.617 39.000 -0.659 0.000 0.795 313 F HN 0.583 nan 8.300 nan 0.000 0.848 314 G N -0.618 108.190 108.800 0.013 0.000 2.153 314 G HA2 0.106 4.204 3.960 0.231 0.000 0.252 314 G HA3 0.106 4.204 3.960 0.231 0.000 0.252 314 G C 1.206 176.122 174.900 0.026 0.000 0.994 314 G CA 0.873 46.030 45.100 0.094 0.000 0.698 314 G HN 2.267 nan 8.290 nan 0.000 0.521 315 G N -1.577 107.213 108.800 -0.017 0.000 2.132 315 G HA2 -0.215 3.883 3.960 0.231 0.000 0.234 315 G HA3 -0.215 3.883 3.960 0.231 0.000 0.234 315 G C 0.991 175.872 174.900 -0.032 0.000 0.989 315 G CA 0.793 45.878 45.100 -0.024 0.000 0.676 315 G HN 1.211 nan 8.290 nan 0.000 0.522 316 L N -0.895 120.293 121.223 -0.059 0.000 2.416 316 L HA 0.300 4.779 4.340 0.231 0.000 0.216 316 L C 1.775 178.507 176.870 -0.230 0.000 1.098 316 L CA 0.384 55.186 54.840 -0.064 0.000 0.840 316 L CB 0.260 42.359 42.059 0.067 0.000 0.981 316 L HN 0.228 nan 8.230 nan 0.000 0.462 317 R N 0.915 121.181 120.500 -0.389 0.000 2.396 317 R HA 0.295 4.774 4.340 0.231 0.000 0.292 317 R C -0.286 175.922 176.300 -0.154 0.000 1.240 317 R CA -0.200 55.630 56.100 -0.449 0.000 1.270 317 R CB 0.362 30.158 30.300 -0.840 0.000 1.108 317 R HN 0.106 nan 8.270 nan 0.000 0.573 318 R N 2.156 122.613 120.500 -0.072 0.000 2.698 318 R HA 0.083 4.561 4.340 0.231 0.000 0.422 318 R C -0.502 175.805 176.300 0.012 0.000 1.073 318 R CA -0.449 55.645 56.100 -0.011 0.000 1.054 318 R CB 0.554 30.847 30.300 -0.011 0.000 1.373 318 R HN 0.635 nan 8.270 nan 0.000 0.593 319 D N 0.100 120.512 120.400 0.019 0.000 2.361 319 D HA 0.020 4.799 4.640 0.231 0.000 0.239 319 D C -1.753 174.581 176.300 0.057 0.000 1.200 319 D CA -1.299 52.725 54.000 0.041 0.000 0.915 319 D CB 1.220 42.050 40.800 0.050 0.000 1.170 319 D HN -0.201 nan 8.370 nan 0.000 0.444 320 P HA -0.171 nan 4.420 nan 0.000 0.216 320 P C 1.114 178.468 177.300 0.090 0.000 1.150 320 P CA 1.120 64.260 63.100 0.066 0.000 0.843 320 P CB 0.122 31.864 31.700 0.070 0.000 0.787 321 D N -0.886 119.592 120.400 0.128 0.000 2.117 321 D HA -0.132 4.646 4.640 0.231 0.000 0.197 321 D C 1.846 178.257 176.300 0.184 0.000 0.987 321 D CA 1.341 55.463 54.000 0.203 0.000 0.829 321 D CB -0.012 40.925 40.800 0.230 0.000 0.961 321 D HN 0.001 nan 8.370 nan 0.000 0.460 322 A N 0.759 123.681 122.820 0.170 0.000 1.902 322 A HA -0.116 4.343 4.320 0.231 0.000 0.217 322 A C 2.426 180.162 177.584 0.254 0.000 1.181 322 A CA 0.901 53.092 52.037 0.256 0.000 0.623 322 A CB -0.621 18.463 19.000 0.141 0.000 0.818 322 A HN 0.274 nan 8.150 nan 0.000 0.443 323 L N -1.706 119.576 121.223 0.097 0.000 2.209 323 L HA -0.072 4.406 4.340 0.231 0.000 0.207 323 L C 2.878 179.706 176.870 -0.070 0.000 1.094 323 L CA 0.908 55.758 54.840 0.017 0.000 0.790 323 L CB -0.467 41.597 42.059 0.010 0.000 0.932 323 L HN 0.371 nan 8.230 nan 0.000 0.447 324 R N 0.413 120.857 120.500 -0.092 0.000 2.075 324 R HA -0.049 4.429 4.340 0.231 0.000 0.232 324 R C 2.226 178.232 176.300 -0.491 0.000 1.126 324 R CA 1.226 57.216 56.100 -0.184 0.000 0.963 324 R CB -1.311 28.948 30.300 -0.068 0.000 0.858 324 R HN 0.601 nan 8.270 nan 0.000 0.435 325 G N 0.323 108.666 108.800 -0.760 0.000 2.422 325 G HA2 -0.203 3.895 3.960 0.231 0.000 0.218 325 G HA3 -0.203 3.895 3.960 0.231 0.000 0.218 325 G C 1.378 176.039 174.900 -0.398 0.000 1.146 325 G CA 0.862 45.495 45.100 -0.779 0.000 0.769 325 G HN 0.442 nan 8.290 nan 0.000 0.547 326 L N 1.452 122.420 121.223 -0.425 0.000 2.093 326 L HA 0.022 4.501 4.340 0.231 0.000 0.208 326 L C 2.786 179.424 176.870 -0.387 0.000 1.085 326 L CA 2.443 56.928 54.840 -0.591 0.000 0.755 326 L CB -0.692 41.122 42.059 -0.407 0.000 0.904 326 L HN 0.528 nan 8.230 nan 0.000 0.435 327 E N -0.597 119.455 120.200 -0.247 0.000 2.085 327 E HA -0.286 4.203 4.350 0.231 0.000 0.194 327 E C 2.047 178.572 176.600 -0.125 0.000 0.994 327 E CA 2.055 58.345 56.400 -0.184 0.000 0.801 327 E CB -0.991 28.655 29.700 -0.089 0.000 0.743 327 E HN 0.395 nan 8.360 nan 0.000 0.453 328 L N 0.060 121.277 121.223 -0.011 0.000 2.109 328 L HA 0.099 4.577 4.340 0.231 0.000 0.207 328 L C 2.356 179.255 176.870 0.047 0.000 1.086 328 L CA 1.283 56.267 54.840 0.240 0.000 0.760 328 L CB -0.395 41.932 42.059 0.446 0.000 0.910 328 L HN 0.391 nan 8.230 nan 0.000 0.437 329 L N -0.780 120.189 121.223 -0.423 0.000 2.042 329 L HA -0.279 4.199 4.340 0.231 0.000 0.210 329 L C 2.737 179.366 176.870 -0.400 0.000 1.076 329 L CA 1.447 55.688 54.840 -0.999 0.000 0.749 329 L CB -0.233 41.141 42.059 -1.141 0.000 0.893 329 L HN 0.236 nan 8.230 nan 0.000 0.432 330 R N -1.373 118.933 120.500 -0.322 0.000 2.091 330 R HA -0.200 4.279 4.340 0.231 0.000 0.238 330 R C 2.309 178.560 176.300 -0.080 0.000 1.136 330 R CA 1.600 57.556 56.100 -0.240 0.000 0.959 330 R CB -0.545 29.556 30.300 -0.331 0.000 0.856 330 R HN 0.521 nan 8.270 nan 0.000 0.437 331 H N -0.552 118.550 119.070 0.054 0.000 2.321 331 H HA -0.146 4.549 4.556 0.231 0.000 0.300 331 H C 1.920 177.380 175.328 0.219 0.000 1.087 331 H CA 1.579 57.719 56.048 0.153 0.000 1.319 331 H CB -0.558 29.330 29.762 0.209 0.000 1.379 331 H HN 0.159 nan 8.280 nan 0.000 0.501 332 F N 0.894 120.932 119.950 0.146 0.000 2.065 332 F HA -0.293 4.372 4.527 0.230 0.000 0.298 332 F C 2.697 178.429 175.800 -0.114 0.000 1.112 332 F CA 1.799 59.649 58.000 -0.251 0.000 1.212 332 F CB -0.482 38.092 39.000 -0.711 0.000 0.975 332 F HN 0.244 nan 8.300 nan 0.000 0.476 333 W N 1.361 122.547 121.300 -0.190 0.000 2.338 333 W HA -0.259 4.540 4.660 0.231 0.000 0.304 333 W C 2.234 178.628 176.519 -0.209 0.000 1.212 333 W CA 2.556 59.767 57.345 -0.223 0.000 1.264 333 W CB -0.894 28.498 29.460 -0.113 0.000 1.142 333 W HN 0.211 nan 8.180 nan 0.000 0.512 334 A N 0.341 123.257 122.820 0.160 0.000 1.897 334 A HA -0.187 4.272 4.320 0.231 0.000 0.215 334 A C 1.703 179.264 177.584 -0.038 0.000 1.181 334 A CA 1.873 53.960 52.037 0.084 0.000 0.620 334 A CB -0.980 18.094 19.000 0.124 0.000 0.821 334 A HN 0.189 nan 8.150 nan 0.000 0.443 335 D N 0.311 120.684 120.400 -0.046 0.000 2.117 335 D HA -0.136 4.642 4.640 0.231 0.000 0.197 335 D C 1.801 177.986 176.300 -0.191 0.000 0.987 335 D CA 1.699 55.658 54.000 -0.068 0.000 0.829 335 D CB -0.354 40.470 40.800 0.040 0.000 0.961 335 D HN 0.720 nan 8.370 nan 0.000 0.460 336 I N -2.040 118.311 120.570 -0.364 0.000 3.684 336 I HA 0.079 4.388 4.170 0.231 0.000 0.304 336 I C -0.320 175.602 176.117 -0.326 0.000 1.278 336 I CA 0.094 61.156 61.300 -0.397 0.000 1.272 336 I CB -0.263 37.375 38.000 -0.603 0.000 1.029 336 I HN -0.164 nan 8.210 nan 0.000 0.458 337 Q N 1.337 120.967 119.800 -0.284 0.000 2.464 337 Q HA -0.099 4.380 4.340 0.231 0.000 0.304 337 Q C -0.323 175.509 176.000 -0.280 0.000 1.401 337 Q CA 0.399 56.072 55.803 -0.215 0.000 0.806 337 Q CB -1.186 27.468 28.738 -0.139 0.000 1.134 337 Q HN 0.567 nan 8.270 nan 0.000 0.411 338 M N 0.743 120.050 119.600 -0.488 0.000 2.228 338 M HA 0.101 4.720 4.480 0.231 0.000 0.351 338 M C 0.566 176.669 176.300 -0.328 0.000 1.233 338 M CA 0.616 55.550 55.300 -0.611 0.000 1.129 338 M CB 0.629 32.403 32.600 -1.376 0.000 1.604 338 M HN 0.069 nan 8.290 nan 0.000 0.457 339 R N 2.082 122.497 120.500 -0.141 0.000 2.312 339 R HA 0.316 4.795 4.340 0.231 0.000 0.311 339 R C -0.293 176.113 176.300 0.176 0.000 1.004 339 R CA -0.785 55.345 56.100 0.050 0.000 0.902 339 R CB 0.674 31.023 30.300 0.081 0.000 1.073 339 R HN 0.670 nan 8.270 nan 0.000 0.457 340 E N 0.306 120.649 120.200 0.239 0.000 2.408 340 E HA 0.552 5.041 4.350 0.231 0.000 0.259 340 E C 0.720 177.372 176.600 0.087 0.000 1.110 340 E CA 0.930 57.484 56.400 0.256 0.000 0.929 340 E CB 0.939 30.767 29.700 0.213 0.000 0.971 340 E HN 0.887 nan 8.360 nan 0.000 0.438 341 G N 0.408 109.155 108.800 -0.089 0.000 2.340 341 G HA2 0.114 4.212 3.960 0.231 0.000 0.300 341 G HA3 0.114 4.212 3.960 0.231 0.000 0.300 341 G C -2.135 172.414 174.900 -0.585 0.000 1.488 341 G CA -1.038 43.777 45.100 -0.475 0.000 0.878 341 G HN 0.396 nan 8.290 nan 0.000 0.618 342 Y N 1.524 121.482 120.300 -0.569 0.000 2.454 342 Y HA 0.680 5.369 4.550 0.232 0.000 0.345 342 Y C -0.995 174.706 175.900 -0.333 0.000 0.970 342 Y CA -0.683 57.188 58.100 -0.381 0.000 1.204 342 Y CB 0.568 38.904 38.460 -0.206 0.000 1.122 342 Y HN 0.435 nan 8.280 nan 0.000 0.514 343 Y N 3.260 123.340 120.300 -0.366 0.000 2.376 343 Y HA 0.326 5.015 4.550 0.231 0.000 0.340 343 Y C 0.424 176.082 175.900 -0.403 0.000 0.965 343 Y CA -1.515 56.406 58.100 -0.298 0.000 1.078 343 Y CB 1.702 40.079 38.460 -0.138 0.000 1.193 343 Y HN 0.562 nan 8.280 nan 0.000 0.452 344 T N 1.617 116.067 114.554 -0.174 0.000 2.918 344 T HA 0.502 4.991 4.350 0.231 0.000 0.283 344 T C 0.284 174.888 174.700 -0.161 0.000 1.001 344 T CA -0.756 61.216 62.100 -0.213 0.000 1.041 344 T CB 0.450 69.211 68.868 -0.178 0.000 1.028 344 T HN 0.502 nan 8.240 nan 0.000 0.511 345 M N 3.613 123.104 119.600 -0.182 0.000 2.245 345 M HA 0.222 4.840 4.480 0.231 0.000 0.335 345 M C -2.024 174.140 176.300 -0.226 0.000 1.155 345 M CA -1.114 54.072 55.300 -0.188 0.000 1.055 345 M CB -0.306 32.102 32.600 -0.321 0.000 1.670 345 M HN 0.491 nan 8.290 nan 0.000 0.447 346 P HA 0.178 nan 4.420 nan 0.000 0.267 346 P C 0.374 177.518 177.300 -0.260 0.000 1.209 346 P CA 0.048 63.097 63.100 -0.085 0.000 0.763 346 P CB 0.504 32.382 31.700 0.297 0.000 0.816 347 R N 3.274 123.653 120.500 -0.202 0.000 2.080 347 R HA 0.012 4.490 4.340 0.231 0.000 0.236 347 R C 1.577 177.725 176.300 -0.253 0.000 1.137 347 R CA 2.162 58.126 56.100 -0.226 0.000 0.943 347 R CB -1.636 28.579 30.300 -0.142 0.000 0.846 347 R HN 0.656 nan 8.270 nan 0.000 0.431 348 G N -2.632 106.066 108.800 -0.170 0.000 3.190 348 G HA2 0.533 4.632 3.960 0.231 0.000 0.191 348 G HA3 0.533 4.632 3.960 0.231 0.000 0.191 348 G C -0.742 173.969 174.900 -0.315 0.000 1.523 348 G CA -0.077 44.920 45.100 -0.172 0.000 0.842 348 G HN 0.320 nan 8.290 nan 0.000 0.782 349 F N -1.270 118.712 119.950 0.053 0.000 2.640 349 F HA 0.626 5.292 4.527 0.232 0.000 0.324 349 F C -0.536 175.243 175.800 -0.036 0.000 1.077 349 F CA -0.841 57.156 58.000 -0.006 0.000 0.965 349 F CB 2.394 41.346 39.000 -0.079 0.000 1.351 349 F HN 0.391 nan 8.300 nan 0.000 0.487 350 C N 2.536 121.886 119.300 0.084 0.000 2.814 350 C HA 0.587 5.185 4.460 0.231 0.000 0.269 350 C C -0.563 174.431 174.990 0.008 0.000 1.090 350 C CA -0.542 58.490 59.018 0.022 0.000 1.492 350 C CB -1.457 26.250 27.740 -0.054 0.000 1.825 350 C HN 0.782 nan 8.230 nan 0.000 0.442 351 E N 2.185 122.385 120.200 0.000 0.000 2.312 351 E HA 0.491 4.979 4.350 0.231 0.000 0.259 351 E C -0.354 176.191 176.600 -0.091 0.000 1.122 351 E CA -0.471 55.891 56.400 -0.064 0.000 0.922 351 E CB 0.439 30.079 29.700 -0.100 0.000 1.109 351 E HN 0.498 nan 8.360 nan 0.000 0.442 352 L N 1.566 122.709 121.223 -0.134 0.000 2.559 352 L HA 0.091 4.569 4.340 0.231 0.000 0.282 352 L C 1.641 178.428 176.870 -0.137 0.000 1.232 352 L CA 2.007 56.734 54.840 -0.188 0.000 0.885 352 L CB -0.428 41.567 42.059 -0.106 0.000 1.131 352 L HN 0.847 nan 8.230 nan 0.000 0.498 353 G N 0.243 108.949 108.800 -0.157 0.000 2.363 353 G HA2 -0.311 3.787 3.960 0.231 0.000 0.238 353 G HA3 -0.311 3.787 3.960 0.231 0.000 0.238 353 G C 0.574 175.429 174.900 -0.075 0.000 1.062 353 G CA 0.309 45.350 45.100 -0.098 0.000 0.629 353 G HN 0.864 nan 8.290 nan 0.000 0.514 354 K N 0.839 121.199 120.400 -0.066 0.000 2.382 354 K HA 0.752 5.211 4.320 0.231 0.000 0.275 354 K C 0.516 177.103 176.600 -0.022 0.000 1.009 354 K CA 0.782 57.054 56.287 -0.025 0.000 0.970 354 K CB 0.886 33.388 32.500 0.004 0.000 0.934 354 K HN 1.251 nan 8.250 nan 0.000 0.479 355 S N 1.171 116.874 115.700 0.006 0.000 2.562 355 S HA 0.461 5.070 4.470 0.231 0.000 0.275 355 S C 0.276 174.916 174.600 0.068 0.000 1.281 355 S CA -0.443 57.765 58.200 0.013 0.000 1.045 355 S CB 0.426 63.632 63.200 0.011 0.000 0.962 355 S HN 0.765 nan 8.310 nan 0.000 0.503 359 F N 2.549 122.482 119.950 -0.027 0.000 2.537 359 F HA 0.157 4.823 4.527 0.232 0.000 0.402 359 F C 0.925 176.644 175.800 -0.134 0.000 1.005 359 F CA 0.784 58.776 58.000 -0.013 0.000 1.203 359 F CB 0.753 39.859 39.000 0.177 0.000 0.955 359 F HN 0.527 nan 8.300 nan 0.000 0.547 360 E N 6.083 125.824 120.200 -0.765 0.000 2.210 360 E HA 0.781 5.269 4.350 0.231 0.000 0.266 360 E C -1.554 174.493 176.600 -0.922 0.000 0.883 360 E CA -1.143 54.712 56.400 -0.908 0.000 0.761 360 E CB 1.861 30.786 29.700 -1.292 0.000 1.156 360 E HN 0.711 nan 8.360 nan 0.000 0.412 361 A N 3.278 125.795 122.820 -0.506 0.000 2.552 361 A HA 0.766 5.224 4.320 0.231 0.000 0.288 361 A C -2.840 174.815 177.584 0.120 0.000 1.193 361 A CA -1.616 50.332 52.037 -0.148 0.000 0.713 361 A CB 1.307 20.387 19.000 0.133 0.000 1.305 361 A HN 0.566 nan 8.150 nan 0.000 0.424 362 P HA 0.368 nan 4.420 nan 0.000 0.277 362 P C -0.154 177.357 177.300 0.351 0.000 1.240 362 P CA -0.389 62.878 63.100 0.278 0.000 0.798 362 P CB 0.519 32.374 31.700 0.258 0.000 0.979 363 M N 2.727 122.555 119.600 0.381 0.000 2.227 363 M HA 0.466 5.084 4.480 0.231 0.000 0.316 363 M C -0.633 175.931 176.300 0.439 0.000 1.144 363 M CA -0.022 55.525 55.300 0.410 0.000 1.121 363 M CB 0.579 33.451 32.600 0.454 0.000 1.440 363 M HN 0.327 nan 8.290 nan 0.000 0.473 364 M N 2.446 122.270 119.600 0.373 0.000 2.470 364 M HA 0.537 5.156 4.480 0.231 0.000 0.285 364 M C -2.310 174.102 176.300 0.187 0.000 1.213 364 M CA -0.497 55.017 55.300 0.356 0.000 0.901 364 M CB 2.119 34.888 32.600 0.283 0.000 1.718 364 M HN 0.761 nan 8.290 nan 0.000 0.469 365 F N 2.469 122.591 119.950 0.287 0.000 2.565 365 F HA 0.515 5.181 4.527 0.232 0.000 0.313 365 F C -0.108 175.633 175.800 -0.098 0.000 1.091 365 F CA -0.470 57.597 58.000 0.112 0.000 0.915 365 F CB 1.622 40.617 39.000 -0.008 0.000 1.208 365 F HN 0.550 nan 8.300 nan 0.000 0.453 366 H N 0.729 119.747 119.070 -0.087 0.000 2.567 366 H HA 0.667 5.362 4.556 0.231 0.000 0.345 366 H C -1.887 173.095 175.328 -0.578 0.000 1.169 366 H CA -0.889 54.872 56.048 -0.479 0.000 1.227 366 H CB 1.845 31.065 29.762 -0.903 0.000 1.607 366 H HN 0.456 nan 8.280 nan 0.000 0.534 367 F N 1.357 121.485 119.950 0.296 0.000 2.477 367 F HA 0.149 4.814 4.527 0.231 0.000 0.335 367 F C -0.028 175.922 175.800 0.250 0.000 1.130 367 F CA -0.920 57.269 58.000 0.314 0.000 0.948 367 F CB 1.337 40.500 39.000 0.272 0.000 1.154 367 F HN 0.643 nan 8.300 nan 0.000 0.439 368 H N 4.893 124.125 119.070 0.270 0.000 2.820 368 H HA 0.391 5.085 4.556 0.231 0.000 0.278 368 H C -0.703 174.682 175.328 0.096 0.000 1.142 368 H CA -0.776 55.333 56.048 0.102 0.000 1.346 368 H CB 0.249 30.083 29.762 0.120 0.000 1.438 368 H HN 0.561 nan 8.280 nan 0.000 0.473 369 L N 5.596 126.868 121.223 0.082 0.000 2.385 369 L HA 0.127 4.606 4.340 0.231 0.000 0.285 369 L C 0.570 177.427 176.870 -0.021 0.000 1.125 369 L CA -0.208 54.623 54.840 -0.015 0.000 0.890 369 L CB 0.366 42.300 42.059 -0.208 0.000 1.251 369 L HN 0.664 nan 8.230 nan 0.000 0.445 370 D N 0.782 121.116 120.400 -0.111 0.000 2.398 370 D HA 0.070 4.849 4.640 0.231 0.000 0.210 370 D C 1.289 177.597 176.300 0.013 0.000 1.094 370 D CA 0.350 54.206 54.000 -0.239 0.000 0.839 370 D CB 0.692 41.164 40.800 -0.547 0.000 0.963 370 D HN 0.563 nan 8.370 nan 0.000 0.506 371 G N 0.602 109.469 108.800 0.111 0.000 2.155 371 G HA2 -0.308 3.791 3.960 0.231 0.000 0.257 371 G HA3 -0.308 3.791 3.960 0.231 0.000 0.257 371 G C 0.509 175.397 174.900 -0.021 0.000 0.983 371 G CA 0.773 45.882 45.100 0.015 0.000 0.676 371 G HN 0.823 nan 8.290 nan 0.000 0.528 372 S N -1.328 114.360 115.700 -0.020 0.000 2.652 372 S HA 0.581 5.190 4.470 0.231 0.000 0.267 372 S C 1.071 175.653 174.600 -0.029 0.000 1.201 372 S CA 0.057 58.242 58.200 -0.024 0.000 0.996 372 S CB 1.111 64.297 63.200 -0.022 0.000 1.054 372 S HN 0.099 nan 8.310 nan 0.000 0.561 373 Q N 0.168 119.952 119.800 -0.026 0.000 2.403 373 Q HA 0.280 4.759 4.340 0.231 0.000 0.203 373 Q C 0.293 176.270 176.000 -0.038 0.000 0.932 373 Q CA 0.059 55.842 55.803 -0.034 0.000 0.945 373 Q CB -0.138 28.584 28.738 -0.026 0.000 1.045 373 Q HN 0.610 nan 8.270 nan 0.000 0.511 374 S N 2.441 118.125 115.700 -0.027 0.000 2.552 374 S HA 0.010 4.619 4.470 0.231 0.000 0.289 374 S C -1.452 173.101 174.600 -0.078 0.000 1.304 374 S CA -0.898 57.289 58.200 -0.022 0.000 1.063 374 S CB 0.760 63.964 63.200 0.008 0.000 0.848 374 S HN 0.087 nan 8.310 nan 0.000 0.499 375 P HA 0.059 nan 4.420 nan 0.000 0.219 375 P C -0.326 176.626 177.300 -0.579 0.000 1.150 375 P CA 0.962 63.860 63.100 -0.338 0.000 0.814 375 P CB 0.170 31.650 31.700 -0.367 0.000 0.787 376 F N 0.282 120.076 119.950 -0.260 0.000 2.480 376 F HA 0.435 5.100 4.527 0.231 0.000 0.329 376 F C -2.086 173.592 175.800 -0.205 0.000 1.091 376 F CA -2.964 54.787 58.000 -0.414 0.000 0.972 376 F CB 1.100 39.665 39.000 -0.725 0.000 1.150 376 F HN -0.266 nan 8.300 nan 0.000 0.467 377 P HA 0.069 nan 4.420 nan 0.000 0.278 377 P C -0.929 176.528 177.300 0.260 0.000 1.238 377 P CA -0.367 62.831 63.100 0.162 0.000 0.794 377 P CB 0.852 32.687 31.700 0.225 0.000 0.955 378 D N 3.799 124.316 120.400 0.195 0.000 2.417 378 D HA 0.137 4.915 4.640 0.231 0.000 0.250 378 D C -1.813 174.551 176.300 0.108 0.000 1.166 378 D CA -0.713 53.360 54.000 0.122 0.000 0.881 378 D CB -0.077 40.804 40.800 0.134 0.000 1.164 378 D HN 0.315 nan 8.370 nan 0.000 0.467 379 P HA 0.211 nan 4.420 nan 0.000 0.284 379 P C -1.074 176.016 177.300 -0.350 0.000 1.258 379 P CA -0.637 62.259 63.100 -0.340 0.000 0.824 379 P CB 1.293 32.677 31.700 -0.527 0.000 1.038 380 Q N 1.722 121.331 119.800 -0.320 0.000 2.285 380 Q HA 0.524 5.003 4.340 0.231 0.000 0.269 380 Q C -1.166 174.712 176.000 -0.204 0.000 1.030 380 Q CA -0.685 54.947 55.803 -0.285 0.000 0.788 380 Q CB 1.960 30.170 28.738 -0.880 0.000 1.266 380 Q HN 0.419 nan 8.270 nan 0.000 0.438 381 M N 3.623 123.166 119.600 -0.095 0.000 2.233 381 M HA 0.391 5.010 4.480 0.231 0.000 0.355 381 M C -1.758 174.379 176.300 -0.272 0.000 1.191 381 M CA -0.413 54.614 55.300 -0.455 0.000 1.101 381 M CB 0.622 33.105 32.600 -0.195 0.000 1.592 381 M HN 0.699 nan 8.290 nan 0.000 0.461 382 Y N 4.046 124.248 120.300 -0.164 0.000 2.326 382 Y HA 0.465 5.153 4.550 0.230 0.000 0.331 382 Y C -0.340 175.696 175.900 0.226 0.000 0.962 382 Y CA -1.139 57.043 58.100 0.135 0.000 1.167 382 Y CB 1.356 39.916 38.460 0.167 0.000 1.148 382 Y HN 0.478 nan 8.280 nan 0.000 0.463 383 V N -0.064 120.069 119.914 0.366 0.000 2.394 383 V HA 0.418 4.677 4.120 0.231 0.000 0.282 383 V C 0.135 176.293 176.094 0.107 0.000 1.031 383 V CA -1.207 61.235 62.300 0.236 0.000 0.881 383 V CB 1.040 32.923 31.823 0.099 0.000 0.982 383 V HN 0.948 nan 8.190 nan 0.000 0.451 384 C N 6.480 125.731 119.300 -0.081 0.000 2.540 384 C HA 0.507 5.106 4.460 0.231 0.000 0.377 384 C C 1.511 176.379 174.990 -0.204 0.000 1.274 384 C CA 0.347 59.040 59.018 -0.542 0.000 1.718 384 C CB -0.549 26.924 27.740 -0.445 0.000 2.391 384 C HN 1.123 nan 8.230 nan 0.000 0.565 385 V N 3.793 123.610 119.914 -0.162 0.000 3.621 385 V HA 0.284 4.542 4.120 0.231 0.000 0.285 385 V C 0.604 176.688 176.094 -0.017 0.000 1.346 385 V CA -0.267 61.992 62.300 -0.069 0.000 1.104 385 V CB -1.408 30.379 31.823 -0.060 0.000 0.913 385 V HN 0.741 nan 8.190 nan 0.000 0.432 386 F N 3.168 123.027 119.950 -0.152 0.000 2.593 386 F HA 0.464 5.129 4.527 0.230 0.000 0.393 386 F C 1.481 177.260 175.800 -0.035 0.000 1.037 386 F CA 1.817 59.732 58.000 -0.141 0.000 1.195 386 F CB 0.263 39.076 39.000 -0.312 0.000 1.034 386 F HN 0.404 nan 8.300 nan 0.000 0.552 387 G N 4.703 113.313 108.800 -0.317 0.000 2.213 387 G HA2 -0.270 3.829 3.960 0.231 0.000 0.226 387 G HA3 -0.270 3.829 3.960 0.231 0.000 0.226 387 G C 0.192 175.045 174.900 -0.078 0.000 0.992 387 G CA 0.021 45.066 45.100 -0.092 0.000 0.632 387 G HN 0.587 nan 8.290 nan 0.000 0.511 388 M N 1.242 120.785 119.600 -0.094 0.000 2.249 388 M HA 0.257 4.875 4.480 0.231 0.000 0.351 388 M C 0.647 176.885 176.300 -0.103 0.000 1.180 388 M CA -0.488 54.758 55.300 -0.089 0.000 1.127 388 M CB 0.731 33.274 32.600 -0.095 0.000 1.546 388 M HN 0.212 nan 8.290 nan 0.000 0.461 389 N N 1.032 119.687 118.700 -0.075 0.000 2.411 389 N HA -0.035 4.844 4.740 0.231 0.000 0.265 389 N C 0.142 175.622 175.510 -0.050 0.000 1.266 389 N CA 0.144 53.162 53.050 -0.054 0.000 0.889 389 N CB 0.823 39.293 38.487 -0.028 0.000 1.069 389 N HN 0.625 nan 8.380 nan 0.000 0.476 390 S N 4.031 119.716 115.700 -0.024 0.000 2.371 390 S HA -0.081 4.528 4.470 0.231 0.000 0.224 390 S C 1.823 176.441 174.600 0.030 0.000 1.029 390 S CA 0.482 58.694 58.200 0.020 0.000 0.978 390 S CB 0.006 63.270 63.200 0.106 0.000 0.833 390 S HN 0.635 nan 8.310 nan 0.000 0.466 391 R N 1.691 122.233 120.500 0.070 0.000 2.073 391 R HA -0.094 4.384 4.340 0.231 0.000 0.234 391 R C 2.326 178.598 176.300 -0.047 0.000 1.134 391 R CA 1.548 57.650 56.100 0.003 0.000 0.952 391 R CB -0.250 30.055 30.300 0.008 0.000 0.850 391 R HN 0.280 nan 8.270 nan 0.000 0.433 392 K N 0.481 120.857 120.400 -0.039 0.000 2.026 392 K HA -0.182 4.277 4.320 0.231 0.000 0.208 392 K C 2.262 178.801 176.600 -0.102 0.000 1.048 392 K CA 1.482 57.732 56.287 -0.062 0.000 0.929 392 K CB -0.236 32.232 32.500 -0.053 0.000 0.713 392 K HN 0.166 nan 8.250 nan 0.000 0.439 393 L N 0.946 122.099 121.223 -0.117 0.000 2.012 393 L HA -0.199 4.280 4.340 0.231 0.000 0.210 393 L C 2.084 178.840 176.870 -0.191 0.000 1.073 393 L CA 1.377 56.120 54.840 -0.161 0.000 0.748 393 L CB -0.241 41.728 42.059 -0.150 0.000 0.891 393 L HN -0.002 nan 8.230 nan 0.000 0.431 394 V N -0.520 119.268 119.914 -0.211 0.000 2.515 394 V HA -0.253 4.006 4.120 0.231 0.000 0.250 394 V C 2.381 178.392 176.094 -0.139 0.000 1.058 394 V CA 1.832 64.003 62.300 -0.215 0.000 1.064 394 V CB -0.605 31.014 31.823 -0.341 0.000 0.675 394 V HN 0.503 nan 8.190 nan 0.000 0.461 395 E N 0.496 120.627 120.200 -0.115 0.000 2.077 395 E HA -0.159 4.330 4.350 0.231 0.000 0.193 395 E C 2.355 178.880 176.600 -0.125 0.000 0.989 395 E CA 1.313 57.658 56.400 -0.092 0.000 0.800 395 E CB -0.507 29.151 29.700 -0.070 0.000 0.746 395 E HN 0.636 nan 8.360 nan 0.000 0.452 396 G N 0.962 109.672 108.800 -0.150 0.000 2.422 396 G HA2 -0.224 3.875 3.960 0.231 0.000 0.218 396 G HA3 -0.224 3.875 3.960 0.231 0.000 0.218 396 G C 1.552 176.323 174.900 -0.215 0.000 1.146 396 G CA 0.429 45.427 45.100 -0.169 0.000 0.769 396 G HN 0.082 nan 8.290 nan 0.000 0.547 397 L N 0.389 121.437 121.223 -0.291 0.000 2.083 397 L HA -0.077 4.402 4.340 0.231 0.000 0.209 397 L C 3.167 179.552 176.870 -0.808 0.000 1.083 397 L CA 1.444 56.008 54.840 -0.461 0.000 0.752 397 L CB -0.747 41.046 42.059 -0.444 0.000 0.899 397 L HN 0.145 nan 8.230 nan 0.000 0.433 398 T N -1.120 113.115 114.554 -0.532 0.000 2.720 398 T HA -0.195 4.294 4.350 0.231 0.000 0.268 398 T C 1.903 176.507 174.700 -0.159 0.000 1.037 398 T CA 1.957 63.872 62.100 -0.308 0.000 1.144 398 T CB -0.289 68.554 68.868 -0.040 0.000 0.864 398 T HN 0.347 nan 8.240 nan 0.000 0.444 399 T N 1.585 116.064 114.554 -0.126 0.000 2.699 399 T HA -0.102 4.387 4.350 0.231 0.000 0.268 399 T C 1.521 176.190 174.700 -0.051 0.000 1.036 399 T CA 1.165 63.224 62.100 -0.068 0.000 1.147 399 T CB -0.490 68.345 68.868 -0.054 0.000 0.862 399 T HN 0.382 nan 8.240 nan 0.000 0.446 400 F N 0.604 120.441 119.950 -0.188 0.000 2.186 400 F HA -0.005 4.660 4.527 0.230 0.000 0.299 400 F C 1.920 177.689 175.800 -0.053 0.000 1.090 400 F CA 0.804 58.742 58.000 -0.103 0.000 1.307 400 F CB -0.432 38.557 39.000 -0.018 0.000 1.019 400 F HN 0.294 nan 8.300 nan 0.000 0.489 401 Y N -0.135 120.163 120.300 -0.003 0.000 2.224 401 Y HA -0.219 4.470 4.550 0.231 0.000 0.289 401 Y C 2.636 178.408 175.900 -0.214 0.000 1.146 401 Y CA 0.773 58.837 58.100 -0.060 0.000 1.182 401 Y CB -0.411 38.186 38.460 0.228 0.000 0.983 401 Y HN -0.081 nan 8.280 nan 0.000 0.524 402 R N 0.309 120.813 120.500 0.005 0.000 2.066 402 R HA -0.161 4.317 4.340 0.231 0.000 0.232 402 R C 2.358 178.543 176.300 -0.192 0.000 1.131 402 R CA 1.154 57.217 56.100 -0.061 0.000 0.955 402 R CB -0.518 29.760 30.300 -0.036 0.000 0.851 402 R HN 0.321 nan 8.270 nan 0.000 0.432 403 R N 1.419 121.750 120.500 -0.281 0.000 2.119 403 R HA -0.136 4.343 4.340 0.231 0.000 0.246 403 R C 1.765 177.797 176.300 -0.446 0.000 1.146 403 R CA 2.084 57.968 56.100 -0.360 0.000 0.962 403 R CB -0.115 29.931 30.300 -0.423 0.000 0.863 403 R HN 0.267 nan 8.270 nan 0.000 0.442 404 V N -2.920 116.594 119.914 -0.666 0.000 3.514 404 V HA 0.411 4.670 4.120 0.231 0.000 0.301 404 V C 0.820 176.586 176.094 -0.547 0.000 1.346 404 V CA 0.312 62.186 62.300 -0.711 0.000 1.156 404 V CB 0.036 31.143 31.823 -1.193 0.000 1.029 404 V HN 0.445 nan 8.190 nan 0.000 0.428 405 G N -0.598 108.017 108.800 -0.308 0.000 2.160 405 G HA2 -0.260 3.839 3.960 0.231 0.000 0.251 405 G HA3 -0.260 3.839 3.960 0.231 0.000 0.251 405 G C -0.328 174.623 174.900 0.085 0.000 1.008 405 G CA 0.227 45.271 45.100 -0.092 0.000 0.724 405 G HN 0.598 nan 8.290 nan 0.000 0.514 406 W N 1.539 122.815 121.300 -0.039 0.000 2.081 406 W HA 0.466 5.266 4.660 0.233 0.000 0.433 406 W C 1.048 177.552 176.519 -0.025 0.000 0.876 406 W CA -0.924 56.388 57.345 -0.054 0.000 1.631 406 W CB -0.217 29.179 29.460 -0.107 0.000 1.757 406 W HN 0.471 nan 8.180 nan 0.000 0.298 407 E N 1.146 121.452 120.200 0.177 0.000 2.028 407 E HA -0.182 4.307 4.350 0.231 0.000 0.190 407 E C 1.367 178.016 176.600 0.082 0.000 0.984 407 E CA 1.223 57.685 56.400 0.102 0.000 0.800 407 E CB 0.275 30.015 29.700 0.067 0.000 0.758 407 E HN 0.398 nan 8.360 nan 0.000 0.448 408 E N 0.060 120.313 120.200 0.088 0.000 2.085 408 E HA -0.232 4.257 4.350 0.231 0.000 0.194 408 E C 2.057 178.744 176.600 0.146 0.000 0.994 408 E CA 1.417 57.898 56.400 0.134 0.000 0.801 408 E CB -0.124 29.657 29.700 0.135 0.000 0.743 408 E HN 0.202 nan 8.360 nan 0.000 0.453 409 M N 0.693 120.344 119.600 0.086 0.000 2.117 409 M HA -0.103 4.516 4.480 0.231 0.000 0.262 409 M C 2.076 178.501 176.300 0.208 0.000 1.065 409 M CA 1.651 56.980 55.300 0.047 0.000 1.114 409 M CB -0.308 32.144 32.600 -0.247 0.000 1.361 409 M HN 0.069 nan 8.290 nan 0.000 0.408 410 A N -1.254 121.721 122.820 0.258 0.000 1.892 410 A HA -0.191 4.267 4.320 0.231 0.000 0.218 410 A C 2.311 179.994 177.584 0.166 0.000 1.188 410 A CA 2.477 54.705 52.037 0.318 0.000 0.631 410 A CB -1.186 17.936 19.000 0.203 0.000 0.822 410 A HN 0.568 nan 8.150 nan 0.000 0.447 411 S N -1.647 114.051 115.700 -0.003 0.000 2.395 411 S HA -0.051 4.558 4.470 0.231 0.000 0.225 411 S C 1.643 176.104 174.600 -0.231 0.000 1.027 411 S CA 1.403 59.473 58.200 -0.216 0.000 0.965 411 S CB -0.310 62.586 63.200 -0.507 0.000 0.812 411 S HN 0.844 nan 8.310 nan 0.000 0.482 412 H N -2.118 117.047 119.070 0.158 0.000 2.729 412 H HA 0.259 4.954 4.556 0.232 0.000 0.263 412 H C 1.491 176.928 175.328 0.182 0.000 0.961 412 H CA 0.172 56.309 56.048 0.148 0.000 1.217 412 H CB 0.070 29.888 29.762 0.093 0.000 1.447 412 H HN 0.334 nan 8.280 nan 0.000 0.496 413 Y N 2.063 122.503 120.300 0.233 0.000 2.145 413 Y HA -0.268 4.420 4.550 0.230 0.000 0.286 413 Y C 2.607 178.656 175.900 0.248 0.000 1.145 413 Y CA 1.837 60.077 58.100 0.233 0.000 1.148 413 Y CB -0.011 38.612 38.460 0.272 0.000 0.981 413 Y HN 0.130 nan 8.280 nan 0.000 0.507 414 Q N -0.095 119.842 119.800 0.229 0.000 2.045 414 Q HA -0.253 4.226 4.340 0.231 0.000 0.206 414 Q C 2.343 178.354 176.000 0.018 0.000 0.991 414 Q CA 1.993 57.860 55.803 0.107 0.000 0.851 414 Q CB -0.463 28.335 28.738 0.099 0.000 0.911 414 Q HN 0.593 nan 8.270 nan 0.000 0.418 415 A N 0.598 123.440 122.820 0.038 0.000 2.015 415 A HA -0.167 4.291 4.320 0.231 0.000 0.219 415 A C 1.657 179.271 177.584 0.049 0.000 1.163 415 A CA 1.428 53.449 52.037 -0.028 0.000 0.646 415 A CB -0.417 18.550 19.000 -0.056 0.000 0.806 415 A HN 0.427 nan 8.150 nan 0.000 0.448 416 N N -1.138 117.616 118.700 0.089 0.000 2.300 416 N HA -0.065 4.813 4.740 0.231 0.000 0.179 416 N C 1.351 176.768 175.510 -0.154 0.000 1.016 416 N CA 1.035 54.086 53.050 0.002 0.000 0.876 416 N CB -0.510 37.936 38.487 -0.069 0.000 0.979 416 N HN 0.527 nan 8.380 nan 0.000 0.432 417 F N 1.845 121.545 119.950 -0.416 0.000 2.102 417 F HA -0.032 4.634 4.527 0.232 0.000 0.298 417 F C 1.991 177.699 175.800 -0.152 0.000 1.105 417 F CA 1.159 58.965 58.000 -0.324 0.000 1.239 417 F CB -0.285 38.522 39.000 -0.322 0.000 0.991 417 F HN -0.083 nan 8.300 nan 0.000 0.474 418 L N -0.292 120.854 121.223 -0.129 0.000 2.141 418 L HA -0.108 4.370 4.340 0.231 0.000 0.209 418 L C 2.663 179.445 176.870 -0.147 0.000 1.094 418 L CA 0.879 55.556 54.840 -0.271 0.000 0.763 418 L CB -1.135 40.639 42.059 -0.475 0.000 0.908 418 L HN 0.213 nan 8.230 nan 0.000 0.437 419 A N 0.144 122.865 122.820 -0.166 0.000 2.070 419 A HA -0.164 4.294 4.320 0.231 0.000 0.220 419 A C 1.888 179.321 177.584 -0.253 0.000 1.159 419 A CA 1.364 53.329 52.037 -0.121 0.000 0.656 419 A CB -0.452 18.553 19.000 0.008 0.000 0.800 419 A HN 0.433 nan 8.150 nan 0.000 0.453 420 N N -1.107 117.271 118.700 -0.537 0.000 2.512 420 N HA -0.034 4.845 4.740 0.231 0.000 0.183 420 N C -0.640 174.296 175.510 -0.957 0.000 1.073 420 N CA 0.781 53.319 53.050 -0.853 0.000 0.911 420 N CB -0.131 37.651 38.487 -1.174 0.000 0.964 420 N HN 0.689 nan 8.380 nan 0.000 0.447 421 Y N -0.631 119.660 120.300 -0.015 0.000 2.562 421 Y HA 0.338 5.027 4.550 0.232 0.000 0.363 421 Y C -1.721 174.220 175.900 0.069 0.000 0.991 421 Y CA -1.874 56.253 58.100 0.045 0.000 1.121 421 Y CB 1.330 39.853 38.460 0.106 0.000 1.159 421 Y HN -0.039 nan 8.280 nan 0.000 0.651 422 P HA -0.143 nan 4.420 nan 0.000 0.215 422 P C 0.703 178.012 177.300 0.015 0.000 1.157 422 P CA 1.607 64.736 63.100 0.048 0.000 0.863 422 P CB 0.483 32.177 31.700 -0.011 0.000 0.787 423 D N -0.940 119.450 120.400 -0.017 0.000 2.340 423 D HA 0.015 4.794 4.640 0.231 0.000 0.220 423 D C 0.547 176.769 176.300 -0.130 0.000 1.039 423 D CA 0.335 54.302 54.000 -0.055 0.000 0.866 423 D CB 0.146 40.924 40.800 -0.036 0.000 0.913 423 D HN 0.285 nan 8.370 nan 0.000 0.523 424 E N 1.192 121.256 120.200 -0.226 0.000 2.349 424 E HA 0.083 4.571 4.350 0.231 0.000 0.265 424 E C -0.865 175.297 176.600 -0.729 0.000 1.064 424 E CA -0.427 55.730 56.400 -0.406 0.000 0.886 424 E CB 1.022 30.485 29.700 -0.394 0.000 1.036 424 E HN -0.203 nan 8.360 nan 0.000 0.413 425 D N 2.598 122.696 120.400 -0.504 0.000 2.359 425 D HA 0.132 4.910 4.640 0.231 0.000 0.230 425 D C -0.504 175.579 176.300 -0.362 0.000 1.118 425 D CA -0.289 53.471 54.000 -0.399 0.000 0.844 425 D CB 0.280 40.976 40.800 -0.173 0.000 1.059 425 D HN 0.374 nan 8.370 nan 0.000 0.493 426 F N 1.886 121.833 119.950 -0.005 0.000 2.773 426 F HA 0.137 4.802 4.527 0.230 0.000 0.304 426 F C 2.123 177.914 175.800 -0.015 0.000 1.129 426 F CA -0.102 57.892 58.000 -0.010 0.000 1.378 426 F CB -0.079 38.932 39.000 0.017 0.000 1.095 426 F HN 0.507 nan 8.300 nan 0.000 0.565 427 E N 0.638 120.894 120.200 0.094 0.000 2.170 427 E HA -0.103 4.386 4.350 0.231 0.000 0.191 427 E C 1.946 178.558 176.600 0.021 0.000 0.981 427 E CA 0.752 57.184 56.400 0.052 0.000 0.830 427 E CB 0.264 29.981 29.700 0.029 0.000 0.775 427 E HN 0.206 nan 8.360 nan 0.000 0.470 428 K N 0.165 120.564 120.400 -0.001 0.000 2.365 428 K HA 0.215 4.674 4.320 0.231 0.000 0.195 428 K C 0.153 176.738 176.600 -0.024 0.000 1.079 428 K CA 0.312 56.589 56.287 -0.016 0.000 0.979 428 K CB 0.645 33.130 32.500 -0.025 0.000 0.929 428 K HN 0.007 nan 8.250 nan 0.000 0.523 429 A N 1.215 124.016 122.820 -0.031 0.000 2.484 429 A HA 0.366 4.825 4.320 0.231 0.000 0.268 429 A C 0.537 178.037 177.584 -0.139 0.000 1.114 429 A CA 0.633 52.616 52.037 -0.091 0.000 0.780 429 A CB 0.110 19.019 19.000 -0.152 0.000 1.061 429 A HN 0.274 nan 8.150 nan 0.000 0.505 430 A N 2.319 125.021 122.820 -0.197 0.000 2.624 430 A HA 0.417 4.876 4.320 0.231 0.000 0.287 430 A C 0.672 177.931 177.584 -0.541 0.000 1.087 430 A CA 0.443 52.311 52.037 -0.282 0.000 0.964 430 A CB -0.420 18.448 19.000 -0.219 0.000 1.231 430 A HN 1.149 nan 8.150 nan 0.000 0.551 431 H N -2.620 116.104 119.070 -0.577 0.000 2.755 431 H HA 0.438 5.132 4.556 0.230 0.000 0.273 431 H C 1.090 176.188 175.328 -0.383 0.000 1.055 431 H CA -0.029 55.542 56.048 -0.795 0.000 1.191 431 H CB -0.226 29.141 29.762 -0.658 0.000 1.536 431 H HN 0.255 nan 8.280 nan 0.000 0.529 432 L N -0.390 120.514 121.223 -0.530 0.000 2.131 432 L HA 0.080 4.558 4.340 0.231 0.000 0.206 432 L C 0.613 177.575 176.870 0.153 0.000 1.087 432 L CA 0.172 54.796 54.840 -0.360 0.000 0.767 432 L CB 0.195 41.980 42.059 -0.457 0.000 0.917 432 L HN 0.400 nan 8.230 nan 0.000 0.441 433 C N -0.279 119.141 119.300 0.199 0.000 2.322 433 C HA 0.696 5.294 4.460 0.231 0.000 0.324 433 C C 1.333 176.450 174.990 0.211 0.000 1.284 433 C CA -0.383 58.804 59.018 0.282 0.000 1.606 433 C CB 0.997 28.870 27.740 0.222 0.000 2.251 433 C HN 0.437 nan 8.230 nan 0.000 0.502 434 A N 4.095 127.120 122.820 0.342 0.000 1.944 434 A HA 0.408 4.867 4.320 0.231 0.000 0.207 434 A C -0.032 177.643 177.584 0.152 0.000 1.265 434 A CA 0.694 52.952 52.037 0.367 0.000 0.712 434 A CB -0.035 19.259 19.000 0.490 0.000 0.915 434 A HN 0.820 nan 8.150 nan 0.000 0.470 435 Y N -1.903 118.571 120.300 0.290 0.000 2.545 435 Y HA 0.578 5.266 4.550 0.231 0.000 0.348 435 Y C -0.655 175.471 175.900 0.377 0.000 1.002 435 Y CA -0.946 57.321 58.100 0.279 0.000 1.039 435 Y CB 2.430 40.988 38.460 0.164 0.000 1.271 435 Y HN -0.044 nan 8.280 nan 0.000 0.467 436 V N 1.662 121.864 119.914 0.479 0.000 2.709 436 V HA 0.585 4.843 4.120 0.231 0.000 0.308 436 V C -0.759 175.559 176.094 0.374 0.000 1.062 436 V CA -0.951 61.616 62.300 0.445 0.000 0.901 436 V CB 1.848 33.905 31.823 0.390 0.000 1.003 436 V HN 0.787 nan 8.190 nan 0.000 0.425 437 S N 3.512 119.360 115.700 0.246 0.000 2.578 437 S HA 0.852 5.461 4.470 0.231 0.000 0.301 437 S C -1.140 173.407 174.600 -0.087 0.000 1.091 437 S CA -0.566 57.580 58.200 -0.090 0.000 1.032 437 S CB 1.952 64.894 63.200 -0.430 0.000 1.064 437 S HN 0.693 nan 8.310 nan 0.000 0.508 438 F N 1.486 121.237 119.950 -0.332 0.000 2.536 438 F HA 0.746 5.411 4.527 0.231 0.000 0.322 438 F C -0.295 175.477 175.800 -0.046 0.000 1.144 438 F CA -0.301 57.495 58.000 -0.340 0.000 0.924 438 F CB 1.327 39.916 39.000 -0.686 0.000 1.181 438 F HN 1.080 nan 8.300 nan 0.000 0.438 439 A N 4.342 126.971 122.820 -0.317 0.000 2.437 439 A HA 0.713 5.172 4.320 0.231 0.000 0.292 439 A C -2.440 175.068 177.584 -0.126 0.000 1.173 439 A CA -0.624 51.425 52.037 0.020 0.000 0.785 439 A CB 1.187 20.194 19.000 0.011 0.000 1.351 439 A HN 0.746 nan 8.150 nan 0.000 0.431 440 Y N 0.673 121.030 120.300 0.095 0.000 2.363 440 Y HA 0.531 5.220 4.550 0.231 0.000 0.325 440 Y C -0.457 175.479 175.900 0.061 0.000 0.984 440 Y CA -0.271 57.900 58.100 0.119 0.000 1.248 440 Y CB 1.178 39.840 38.460 0.337 0.000 1.116 440 Y HN 0.572 nan 8.280 nan 0.000 0.470 441 K N 4.283 124.552 120.400 -0.219 0.000 2.324 441 K HA 0.292 4.750 4.320 0.231 0.000 0.253 441 K C -0.512 175.967 176.600 -0.201 0.000 0.932 441 K CA -1.028 55.087 56.287 -0.286 0.000 0.799 441 K CB 1.477 33.543 32.500 -0.722 0.000 1.154 441 K HN 0.672 nan 8.250 nan 0.000 0.425 442 N N 1.687 120.318 118.700 -0.116 0.000 2.688 442 N HA -0.202 4.676 4.740 0.231 0.000 0.258 442 N C 0.372 175.820 175.510 -0.103 0.000 1.016 442 N CA 1.220 54.239 53.050 -0.051 0.000 0.747 442 N CB -0.660 37.837 38.487 0.015 0.000 0.895 442 N HN 1.142 nan 8.380 nan 0.000 0.543 443 G N -1.268 107.406 108.800 -0.211 0.000 2.212 443 G HA2 -0.207 3.892 3.960 0.231 0.000 0.267 443 G HA3 -0.207 3.892 3.960 0.231 0.000 0.267 443 G C 0.411 175.075 174.900 -0.394 0.000 1.002 443 G CA 0.858 45.826 45.100 -0.220 0.000 0.729 443 G HN 0.955 nan 8.290 nan 0.000 0.517 444 G N -1.451 106.974 108.800 -0.625 0.000 2.706 444 G HA2 0.816 4.914 3.960 0.231 0.000 0.297 444 G HA3 0.816 4.914 3.960 0.231 0.000 0.297 444 G C -0.080 174.752 174.900 -0.114 0.000 1.403 444 G CA 0.140 45.113 45.100 -0.211 0.000 0.954 444 G HN 1.522 nan 8.290 nan 0.000 0.500 445 A N 0.558 123.477 122.820 0.166 0.000 2.531 445 A HA 0.520 4.979 4.320 0.231 0.000 0.236 445 A C -1.030 176.743 177.584 0.315 0.000 1.062 445 A CA 0.315 52.468 52.037 0.192 0.000 0.760 445 A CB -0.021 19.200 19.000 0.368 0.000 0.995 445 A HN 0.684 nan 8.150 nan 0.000 0.501 446 Y N 1.473 121.672 120.300 -0.167 0.000 2.332 446 Y HA 0.456 5.144 4.550 0.231 0.000 0.326 446 Y C -0.331 175.491 175.900 -0.130 0.000 0.978 446 Y CA -0.516 57.538 58.100 -0.077 0.000 1.205 446 Y CB 2.130 40.534 38.460 -0.094 0.000 1.131 446 Y HN 0.438 nan 8.280 nan 0.000 0.462 447 V N 3.424 123.384 119.914 0.077 0.000 2.540 447 V HA 0.546 4.804 4.120 0.231 0.000 0.302 447 V C -0.391 175.738 176.094 0.058 0.000 1.035 447 V CA -0.534 61.825 62.300 0.098 0.000 0.873 447 V CB 2.114 34.136 31.823 0.331 0.000 0.992 447 V HN 0.719 nan 8.190 nan 0.000 0.428 448 T N 5.940 120.543 114.554 0.083 0.000 2.879 448 T HA 0.571 5.060 4.350 0.231 0.000 0.290 448 T C -0.650 174.118 174.700 0.114 0.000 0.993 448 T CA -0.437 61.684 62.100 0.036 0.000 0.975 448 T CB 1.192 70.062 68.868 0.003 0.000 0.981 448 T HN 0.323 nan 8.240 nan 0.000 0.439 449 L N 3.443 124.717 121.223 0.084 0.000 2.289 449 L HA 0.474 4.952 4.340 0.231 0.000 0.285 449 L C -0.929 176.035 176.870 0.157 0.000 1.049 449 L CA -0.863 54.108 54.840 0.219 0.000 0.804 449 L CB 0.804 43.027 42.059 0.274 0.000 1.195 449 L HN 0.716 nan 8.230 nan 0.000 0.428 450 Y N 2.594 123.085 120.300 0.318 0.000 2.491 450 Y HA 0.309 4.997 4.550 0.231 0.000 0.334 450 Y C 0.259 176.360 175.900 0.335 0.000 0.969 450 Y CA -0.648 57.636 58.100 0.306 0.000 1.241 450 Y CB 0.855 39.498 38.460 0.305 0.000 1.105 450 Y HN 0.553 nan 8.280 nan 0.000 0.503 451 N N 0.370 119.334 118.700 0.440 0.000 2.402 451 N HA 0.128 5.007 4.740 0.231 0.000 0.294 451 N C -0.935 174.823 175.510 0.413 0.000 1.203 451 N CA -1.086 52.242 53.050 0.463 0.000 0.838 451 N CB 0.628 39.455 38.487 0.565 0.000 1.306 451 N HN 0.567 nan 8.380 nan 0.000 0.510 452 H N -0.036 119.196 119.070 0.270 0.000 3.070 452 H HA 0.085 4.781 4.556 0.234 0.000 0.313 452 H C -0.137 175.402 175.328 0.352 0.000 0.997 452 H CA 0.864 57.054 56.048 0.238 0.000 1.438 452 H CB 0.283 30.087 29.762 0.070 0.000 1.455 452 H HN 0.300 nan 8.280 nan 0.000 0.575 453 S N 5.827 121.518 115.700 -0.015 0.000 2.661 453 S HA 0.189 4.797 4.470 0.231 0.000 0.245 453 S C -1.064 173.572 174.600 0.061 0.000 1.117 453 S CA -0.447 57.788 58.200 0.058 0.000 1.091 453 S CB -0.206 62.871 63.200 -0.205 0.000 0.887 453 S HN 0.507 nan 8.310 nan 0.000 0.491 454 F N 1.800 121.545 119.950 -0.342 0.000 2.605 454 F HA 0.478 5.143 4.527 0.229 0.000 0.320 454 F C -1.859 173.878 175.800 -0.104 0.000 1.159 454 F CA -0.542 57.349 58.000 -0.183 0.000 0.999 454 F CB 1.164 40.078 39.000 -0.144 0.000 1.258 454 F HN -0.078 nan 8.300 nan 0.000 0.464 455 N N 7.646 125.942 118.700 -0.674 0.000 2.483 455 N HA 0.399 5.277 4.740 0.231 0.000 0.267 455 N C -2.827 172.278 175.510 -0.675 0.000 0.998 455 N CA -1.232 51.544 53.050 -0.456 0.000 0.918 455 N CB 2.466 40.823 38.487 -0.218 0.000 1.215 455 N HN 0.319 nan 8.380 nan 0.000 0.500 456 P HA 0.000 nan 4.420 nan 0.000 0.216 456 P CA 0.000 62.972 63.100 -0.213 0.000 0.800 456 P CB 0.000 31.726 31.700 0.043 0.000 0.726