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 2zry_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIVNRKVEHV EIAAFENVDG LSSSTFLNDV ILVHQGFPGI SFSEINTKTK DATA SEQUENCE FFRKEISVPV MVTGMTGGRN ELGRINKIIA EVAEKFGIPM GVGSQRVAIE DATA SEQUENCE KAEARESFAI VRKVAPTIPI IANLGMPQLV KGYGLKEFQD AIQMIEADAI DATA SEQUENCE AVHLNPAQEV FQPEGEPEYQ IYALEKLRDI SKELSVPIIV KESGNGISME DATA SEQUENCE TAKLLYSYGI KNFDTSGQGG TNWIAIEMIR DIRRGNWKAE SAKNFLDWGV DATA SEQUENCE PTAASIMEVR YSVPDSFLVG SGGIRSGLDA AKAIALGADI AGMALPVLKS DATA SEQUENCE AIEGKESLEQ FFRKIIFELK AAMMLTGSKD VDALKKTSIV ILGKLKEWAE DATA SEQUENCE YRGINLSIYE KVRK 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 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.295 176.300 -0.008 0.000 2.045 3 D CA 0.000 54.001 54.000 0.001 0.000 0.868 3 D CB 0.000 40.803 40.800 0.005 0.000 0.688 4 I N 1.428 121.999 120.570 0.001 0.000 2.335 4 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 4 I C 2.145 178.257 176.117 -0.008 0.000 1.129 4 I CA 1.836 63.134 61.300 -0.003 0.000 1.402 4 I CB 0.029 38.041 38.000 0.020 0.000 1.069 4 I HN 0.185 nan 8.210 nan 0.000 0.424 5 V N -0.236 119.683 119.914 0.008 0.000 2.515 5 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 5 V C 1.927 178.014 176.094 -0.012 0.000 1.058 5 V CA 2.451 64.757 62.300 0.009 0.000 1.064 5 V CB -1.116 30.719 31.823 0.020 0.000 0.675 5 V HN 0.520 nan 8.190 nan 0.000 0.461 6 N N 0.527 119.216 118.700 -0.019 0.000 2.106 6 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 6 N C 2.090 177.561 175.510 -0.064 0.000 1.029 6 N CA 1.798 54.832 53.050 -0.027 0.000 0.848 6 N CB -0.366 38.110 38.487 -0.019 0.000 1.007 6 N HN 0.572 nan 8.380 nan 0.000 0.423 7 R N 0.865 121.298 120.500 -0.111 0.000 2.083 7 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 7 R C 1.706 177.781 176.300 -0.374 0.000 1.137 7 R CA 1.546 57.489 56.100 -0.261 0.000 0.951 7 R CB -0.036 30.103 30.300 -0.268 0.000 0.851 7 R HN -0.007 nan 8.270 nan 0.000 0.434 8 K N 0.091 120.382 120.400 -0.182 0.000 2.044 8 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 8 K C 1.934 178.541 176.600 0.011 0.000 1.049 8 K CA 1.679 57.941 56.287 -0.041 0.000 0.927 8 K CB -0.540 31.971 32.500 0.019 0.000 0.713 8 K HN 0.262 nan 8.250 nan 0.000 0.443 9 V N -0.138 119.773 119.914 -0.006 0.000 2.379 9 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 9 V C 1.800 177.919 176.094 0.041 0.000 1.044 9 V CA 1.612 63.925 62.300 0.022 0.000 1.036 9 V CB -0.199 31.636 31.823 0.020 0.000 0.664 9 V HN 0.316 nan 8.190 nan 0.000 0.453 10 E N -0.353 119.855 120.200 0.013 0.000 2.049 10 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 10 E C 2.053 178.727 176.600 0.123 0.000 1.007 10 E CA 2.247 58.672 56.400 0.042 0.000 0.809 10 E CB -0.398 29.304 29.700 0.003 0.000 0.749 10 E HN 0.845 nan 8.360 nan 0.000 0.450 11 H N -0.465 118.654 119.070 0.081 0.000 2.289 11 H HA -0.149 4.406 4.556 -0.000 0.000 0.296 11 H C 2.338 177.683 175.328 0.028 0.000 1.091 11 H CA 1.358 57.480 56.048 0.124 0.000 1.274 11 H CB 0.062 29.991 29.762 0.277 0.000 1.364 11 H HN 0.013 nan 8.280 nan 0.000 0.490 12 V N 0.976 120.985 119.914 0.158 0.000 2.343 12 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 12 V C 2.456 178.480 176.094 -0.116 0.000 1.051 12 V CA 1.945 64.249 62.300 0.007 0.000 1.036 12 V CB -0.354 31.471 31.823 0.002 0.000 0.654 12 V HN 0.505 nan 8.190 nan 0.000 0.451 13 E N 0.309 120.495 120.200 -0.023 0.000 2.047 13 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 13 E C 2.186 178.784 176.600 -0.002 0.000 0.987 13 E CA 1.704 58.121 56.400 0.029 0.000 0.799 13 E CB -0.149 29.649 29.700 0.164 0.000 0.752 13 E HN 0.611 nan 8.360 nan 0.000 0.449 14 I N 1.374 121.940 120.570 -0.007 0.000 2.179 14 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 14 I C 2.780 178.799 176.117 -0.163 0.000 1.088 14 I CA 1.166 62.436 61.300 -0.050 0.000 1.357 14 I CB -0.461 37.510 38.000 -0.049 0.000 1.051 14 I HN 0.101 nan 8.210 nan 0.000 0.409 15 A N 0.786 123.462 122.820 -0.240 0.000 1.883 15 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 15 A C 2.507 179.905 177.584 -0.309 0.000 1.186 15 A CA 2.179 54.029 52.037 -0.313 0.000 0.624 15 A CB -0.897 17.920 19.000 -0.305 0.000 0.822 15 A HN 0.452 nan 8.150 nan 0.000 0.444 16 A N -1.947 120.606 122.820 -0.445 0.000 1.930 16 A HA 0.233 4.553 4.320 -0.000 0.000 0.215 16 A C 1.752 178.992 177.584 -0.574 0.000 1.176 16 A CA 1.289 52.916 52.037 -0.685 0.000 0.632 16 A CB -0.401 17.866 19.000 -1.223 0.000 0.819 16 A HN 0.551 nan 8.150 nan 0.000 0.445 17 F N -0.590 119.320 119.950 -0.067 0.000 2.746 17 F HA 0.238 4.764 4.527 -0.000 0.000 0.313 17 F C 0.743 176.508 175.800 -0.058 0.000 1.095 17 F CA -0.511 57.455 58.000 -0.056 0.000 1.224 17 F CB 0.494 39.468 39.000 -0.043 0.000 1.060 17 F HN 0.009 nan 8.300 nan 0.000 0.584 18 E N 0.827 121.061 120.200 0.058 0.000 2.239 18 E HA 0.131 4.481 4.350 -0.000 0.000 0.261 18 E C -0.836 175.739 176.600 -0.041 0.000 1.016 18 E CA -0.731 55.674 56.400 0.008 0.000 0.882 18 E CB 0.992 30.683 29.700 -0.016 0.000 1.190 18 E HN -0.148 nan 8.360 nan 0.000 0.415 19 N N 1.222 119.898 118.700 -0.041 0.000 2.807 19 N HA 0.042 4.782 4.740 -0.000 0.000 0.259 19 N C -0.011 175.451 175.510 -0.081 0.000 1.149 19 N CA -0.029 52.990 53.050 -0.052 0.000 1.042 19 N CB -0.098 38.368 38.487 -0.034 0.000 1.367 19 N HN 0.321 nan 8.380 nan 0.000 0.516 20 V N -1.080 118.765 119.914 -0.117 0.000 3.398 20 V HA 0.339 4.459 4.120 -0.000 0.000 0.298 20 V C 0.258 176.258 176.094 -0.156 0.000 1.496 20 V CA -0.472 61.733 62.300 -0.158 0.000 1.044 20 V CB -0.003 31.672 31.823 -0.246 0.000 0.880 20 V HN 0.256 nan 8.190 nan 0.000 0.443 21 D N 2.313 122.640 120.400 -0.121 0.000 2.374 21 D HA 0.476 5.115 4.640 -0.000 0.000 0.240 21 D C 1.406 177.667 176.300 -0.065 0.000 1.229 21 D CA 1.201 55.142 54.000 -0.099 0.000 0.895 21 D CB 0.405 41.154 40.800 -0.085 0.000 1.046 21 D HN 0.698 nan 8.370 nan 0.000 0.498 22 G N 3.944 112.709 108.800 -0.058 0.000 2.160 22 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.251 22 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.251 22 G C 0.457 175.339 174.900 -0.031 0.000 1.008 22 G CA -0.038 45.042 45.100 -0.035 0.000 0.724 22 G HN 0.563 nan 8.290 nan 0.000 0.514 23 L N 0.914 122.110 121.223 -0.045 0.000 2.597 23 L HA 0.268 4.608 4.340 -0.000 0.000 0.271 23 L C 1.226 178.083 176.870 -0.022 0.000 1.157 23 L CA 1.400 56.217 54.840 -0.038 0.000 0.928 23 L CB -0.053 41.972 42.059 -0.056 0.000 1.216 23 L HN 0.595 nan 8.230 nan 0.000 0.481 24 S N 1.521 117.214 115.700 -0.011 0.000 3.476 24 S HA -0.176 4.294 4.470 -0.000 0.000 0.309 24 S C 0.284 174.891 174.600 0.011 0.000 1.222 24 S CA 1.161 59.362 58.200 0.001 0.000 0.922 24 S CB -1.357 61.844 63.200 0.000 0.000 1.023 24 S HN 0.950 nan 8.310 nan 0.000 0.591 25 S N -0.899 114.805 115.700 0.006 0.000 2.704 25 S HA 0.882 5.351 4.470 -0.000 0.000 0.296 25 S C -0.566 174.041 174.600 0.011 0.000 1.138 25 S CA -0.127 58.075 58.200 0.004 0.000 0.875 25 S CB 2.476 65.671 63.200 -0.008 0.000 1.151 25 S HN 0.579 nan 8.310 nan 0.000 0.500 26 S N -0.343 115.358 115.700 0.001 0.000 2.533 26 S HA 0.508 4.977 4.470 -0.000 0.000 0.271 26 S C 0.588 175.171 174.600 -0.028 0.000 1.143 26 S CA 0.012 58.240 58.200 0.048 0.000 0.891 26 S CB 1.415 64.729 63.200 0.189 0.000 1.105 26 S HN 1.174 nan 8.310 nan 0.000 0.468 27 T N 1.213 115.771 114.554 0.008 0.000 3.067 27 T HA 0.210 4.560 4.350 -0.000 0.000 0.261 27 T C 1.079 175.795 174.700 0.027 0.000 1.110 27 T CA 0.839 62.911 62.100 -0.046 0.000 1.113 27 T CB -0.873 67.986 68.868 -0.015 0.000 0.917 27 T HN 0.882 nan 8.240 nan 0.000 0.499 28 F N -0.662 119.218 119.950 -0.117 0.000 2.871 28 F HA -0.255 4.272 4.527 -0.000 0.000 0.326 28 F C 1.271 177.016 175.800 -0.092 0.000 0.675 28 F CA 0.007 57.935 58.000 -0.120 0.000 1.188 28 F CB -1.844 37.042 39.000 -0.190 0.000 1.567 28 F HN 0.202 nan 8.300 nan 0.000 0.325 29 L N -0.134 121.144 121.223 0.092 0.000 2.275 29 L HA -0.186 4.153 4.340 -0.000 0.000 0.215 29 L C 1.990 178.870 176.870 0.016 0.000 1.119 29 L CA 1.169 56.031 54.840 0.037 0.000 0.790 29 L CB -0.490 41.582 42.059 0.021 0.000 0.919 29 L HN 0.217 nan 8.230 nan 0.000 0.443 30 N N 0.275 118.981 118.700 0.010 0.000 2.192 30 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 30 N C 1.146 176.634 175.510 -0.038 0.000 1.013 30 N CA 1.284 54.324 53.050 -0.016 0.000 0.863 30 N CB -0.272 38.199 38.487 -0.027 0.000 0.990 30 N HN 0.321 nan 8.380 nan 0.000 0.430 31 D N -0.228 120.139 120.400 -0.055 0.000 2.349 31 D HA 0.044 4.684 4.640 -0.000 0.000 0.224 31 D C -0.193 176.085 176.300 -0.036 0.000 1.029 31 D CA 0.223 54.177 54.000 -0.077 0.000 0.879 31 D CB 0.477 41.187 40.800 -0.149 0.000 0.906 31 D HN -0.019 nan 8.370 nan 0.000 0.528 32 V N 1.722 121.627 119.914 -0.014 0.000 2.384 32 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 32 V C 0.113 176.209 176.094 0.003 0.000 1.020 32 V CA -0.669 61.632 62.300 0.001 0.000 0.850 32 V CB 2.060 33.890 31.823 0.012 0.000 0.987 32 V HN -0.131 nan 8.190 nan 0.000 0.436 33 I N 5.429 126.004 120.570 0.008 0.000 2.465 33 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 33 I C -0.513 175.616 176.117 0.020 0.000 1.014 33 I CA -0.494 60.813 61.300 0.011 0.000 1.093 33 I CB 1.998 40.003 38.000 0.008 0.000 1.267 33 I HN 0.361 nan 8.210 nan 0.000 0.431 34 L N 6.397 127.634 121.223 0.023 0.000 2.290 34 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 34 L C -0.229 176.666 176.870 0.043 0.000 1.078 34 L CA -0.861 53.995 54.840 0.027 0.000 0.815 34 L CB 1.113 43.185 42.059 0.022 0.000 1.162 34 L HN 0.284 nan 8.230 nan 0.000 0.435 35 V N 2.790 122.728 119.914 0.040 0.000 2.479 35 V HA -0.050 4.070 4.120 -0.000 0.000 0.281 35 V C 0.391 176.528 176.094 0.070 0.000 1.031 35 V CA -0.265 62.067 62.300 0.054 0.000 1.038 35 V CB 0.239 32.082 31.823 0.033 0.000 0.981 35 V HN 0.605 nan 8.190 nan 0.000 0.478 36 H N 5.608 124.682 119.070 0.006 0.000 2.928 36 H HA 0.172 4.728 4.556 -0.000 0.000 0.338 36 H C -0.059 175.278 175.328 0.015 0.000 1.047 36 H CA 0.288 56.339 56.048 0.006 0.000 1.435 36 H CB 0.571 30.337 29.762 0.007 0.000 1.428 36 H HN 0.566 nan 8.280 nan 0.000 0.590 37 Q N 4.152 123.590 119.800 -0.603 0.000 2.394 37 Q HA 0.217 4.557 4.340 -0.000 0.000 0.259 37 Q C 1.120 176.746 176.000 -0.623 0.000 1.021 37 Q CA 0.080 55.609 55.803 -0.456 0.000 0.805 37 Q CB 1.673 30.294 28.738 -0.195 0.000 1.226 37 Q HN 1.074 nan 8.270 nan 0.000 0.476 38 G N 1.637 110.179 108.800 -0.431 0.000 2.448 38 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 38 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 38 G C 0.166 175.079 174.900 0.022 0.000 1.127 38 G CA 0.343 45.372 45.100 -0.119 0.000 0.766 38 G HN 0.453 nan 8.290 nan 0.000 0.552 39 F N 1.376 121.265 119.950 -0.101 0.000 2.363 39 F HA 0.480 5.007 4.527 -0.000 0.000 0.366 39 F C -1.518 174.245 175.800 -0.061 0.000 1.083 39 F CA -2.527 55.440 58.000 -0.055 0.000 1.176 39 F CB 1.964 40.945 39.000 -0.031 0.000 1.432 39 F HN -0.101 nan 8.300 nan 0.000 0.482 40 P HA 0.004 nan 4.420 nan 0.000 0.216 40 P C 1.088 178.243 177.300 -0.242 0.000 1.150 40 P CA 1.906 64.844 63.100 -0.270 0.000 0.837 40 P CB 0.129 31.682 31.700 -0.246 0.000 0.786 41 G N -0.631 107.874 108.800 -0.492 0.000 2.136 41 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 41 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 41 G C 0.146 174.974 174.900 -0.119 0.000 0.989 41 G CA 0.317 45.320 45.100 -0.161 0.000 0.682 41 G HN 0.557 nan 8.290 nan 0.000 0.522 42 I N -3.668 116.791 120.570 -0.184 0.000 3.181 42 I HA 0.863 5.032 4.170 -0.000 0.000 0.311 42 I C -0.386 175.677 176.117 -0.090 0.000 1.287 42 I CA -0.906 60.334 61.300 -0.099 0.000 0.958 42 I CB 1.812 39.765 38.000 -0.078 0.000 1.294 42 I HN 0.230 nan 8.210 nan 0.000 0.467 43 S N 1.111 116.790 115.700 -0.034 0.000 2.549 43 S HA 0.440 4.910 4.470 -0.000 0.000 0.297 43 S C 0.399 175.037 174.600 0.064 0.000 1.115 43 S CA -0.518 57.694 58.200 0.020 0.000 1.059 43 S CB 1.086 64.304 63.200 0.030 0.000 1.046 43 S HN 0.669 nan 8.310 nan 0.000 0.506 44 F N 3.898 123.834 119.950 -0.024 0.000 2.120 44 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 44 F C 2.531 178.335 175.800 0.007 0.000 1.095 44 F CA 2.433 60.430 58.000 -0.006 0.000 1.249 44 F CB -0.428 38.585 39.000 0.022 0.000 0.995 44 F HN 0.737 nan 8.300 nan 0.000 0.480 45 S N -0.305 115.514 115.700 0.198 0.000 2.481 45 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 45 S C 1.597 176.201 174.600 0.007 0.000 0.996 45 S CA 0.794 59.060 58.200 0.111 0.000 0.942 45 S CB -0.813 62.468 63.200 0.134 0.000 0.768 45 S HN 0.783 nan 8.310 nan 0.000 0.520 46 E N 0.937 121.127 120.200 -0.016 0.000 2.489 46 E HA 0.147 4.497 4.350 -0.000 0.000 0.193 46 E C 0.129 176.684 176.600 -0.075 0.000 1.057 46 E CA -0.331 56.049 56.400 -0.034 0.000 0.866 46 E CB -0.306 29.383 29.700 -0.019 0.000 0.916 46 E HN 0.544 nan 8.360 nan 0.000 0.500 47 I N 2.804 123.288 120.570 -0.143 0.000 2.668 47 I HA -0.049 4.121 4.170 -0.000 0.000 0.285 47 I C 0.029 176.064 176.117 -0.136 0.000 1.168 47 I CA -0.028 61.163 61.300 -0.181 0.000 1.424 47 I CB 0.148 37.949 38.000 -0.332 0.000 1.377 47 I HN 0.087 nan 8.210 nan 0.000 0.560 48 N N 4.316 122.958 118.700 -0.096 0.000 2.443 48 N HA 0.214 4.954 4.740 -0.000 0.000 0.269 48 N C 0.328 175.803 175.510 -0.057 0.000 0.985 48 N CA -0.626 52.385 53.050 -0.064 0.000 0.921 48 N CB 1.224 39.686 38.487 -0.042 0.000 1.195 48 N HN 0.601 nan 8.380 nan 0.000 0.492 49 T N -0.430 114.094 114.554 -0.049 0.000 3.105 49 T HA 0.253 4.603 4.350 -0.000 0.000 0.253 49 T C 0.472 175.164 174.700 -0.013 0.000 1.047 49 T CA -0.071 62.007 62.100 -0.037 0.000 0.944 49 T CB -0.167 68.677 68.868 -0.040 0.000 1.016 49 T HN 0.296 nan 8.240 nan 0.000 0.544 50 K N 1.503 121.898 120.400 -0.008 0.000 2.414 50 K HA 0.432 4.752 4.320 -0.000 0.000 0.272 50 K C -0.095 176.515 176.600 0.017 0.000 0.993 50 K CA 0.157 56.447 56.287 0.006 0.000 0.964 50 K CB 0.705 33.207 32.500 0.004 0.000 0.925 50 K HN 0.200 nan 8.250 nan 0.000 0.487 51 T N 1.073 115.648 114.554 0.035 0.000 2.786 51 T HA 0.290 4.639 4.350 -0.000 0.000 0.316 51 T C -1.850 172.891 174.700 0.070 0.000 1.503 51 T CA -1.099 61.032 62.100 0.052 0.000 1.019 51 T CB 0.843 69.752 68.868 0.068 0.000 1.415 51 T HN 0.450 nan 8.240 nan 0.000 0.496 52 K N 1.560 121.993 120.400 0.054 0.000 2.218 52 K HA 0.630 4.950 4.320 -0.000 0.000 0.276 52 K C -1.015 175.605 176.600 0.034 0.000 1.022 52 K CA -0.394 55.909 56.287 0.027 0.000 0.946 52 K CB 0.548 33.022 32.500 -0.042 0.000 1.000 52 K HN 0.426 nan 8.250 nan 0.000 0.468 53 F N 4.467 124.327 119.950 -0.148 0.000 2.646 53 F HA 0.303 4.829 4.527 -0.000 0.000 0.364 53 F C -0.448 175.183 175.800 -0.282 0.000 1.137 53 F CA -0.760 57.067 58.000 -0.289 0.000 1.085 53 F CB -0.026 38.935 39.000 -0.066 0.000 1.331 53 F HN 0.716 nan 8.300 nan 0.000 0.472 54 F N 1.406 121.059 119.950 -0.495 0.000 2.756 54 F HA -0.462 4.065 4.527 -0.000 0.000 0.240 54 F C 1.580 177.307 175.800 -0.121 0.000 1.487 54 F CA 1.586 59.397 58.000 -0.315 0.000 1.859 54 F CB -0.678 38.176 39.000 -0.243 0.000 1.319 54 F HN 0.365 nan 8.300 nan 0.000 0.230 55 R N 1.002 121.613 120.500 0.186 0.000 2.317 55 R HA 0.216 4.556 4.340 -0.000 0.000 0.208 55 R C -0.119 176.236 176.300 0.092 0.000 0.914 55 R CA 0.329 56.486 56.100 0.095 0.000 1.060 55 R CB 0.000 30.343 30.300 0.072 0.000 1.015 55 R HN 0.314 nan 8.270 nan 0.000 0.498 56 K N 1.028 121.509 120.400 0.136 0.000 2.168 56 K HA 0.244 4.564 4.320 -0.000 0.000 0.239 56 K C -0.453 176.205 176.600 0.096 0.000 0.999 56 K CA -0.626 55.729 56.287 0.113 0.000 0.900 56 K CB 1.536 34.116 32.500 0.134 0.000 1.111 56 K HN -0.094 nan 8.250 nan 0.000 0.452 57 E N 1.957 122.198 120.200 0.067 0.000 2.195 57 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 57 E C -1.008 175.621 176.600 0.048 0.000 0.923 57 E CA -0.647 55.786 56.400 0.055 0.000 0.790 57 E CB 1.155 30.875 29.700 0.033 0.000 1.155 57 E HN 0.456 nan 8.360 nan 0.000 0.402 58 I N -0.309 120.292 120.570 0.051 0.000 2.846 58 I HA 0.406 4.576 4.170 -0.000 0.000 0.307 58 I C 0.565 176.691 176.117 0.015 0.000 1.053 58 I CA -0.761 60.552 61.300 0.021 0.000 1.050 58 I CB 2.132 40.136 38.000 0.006 0.000 1.239 58 I HN 0.254 nan 8.210 nan 0.000 0.439 59 S N 1.901 117.601 115.700 0.001 0.000 2.453 59 S HA 0.164 4.633 4.470 -0.000 0.000 0.231 59 S C 0.430 175.033 174.600 0.006 0.000 1.005 59 S CA 0.396 58.599 58.200 0.006 0.000 0.949 59 S CB -0.058 63.152 63.200 0.016 0.000 0.774 59 S HN 0.477 nan 8.310 nan 0.000 0.510 60 V N 2.283 122.196 119.914 -0.002 0.000 2.924 60 V HA 0.292 4.412 4.120 -0.000 0.000 0.300 60 V C -2.597 173.498 176.094 0.002 0.000 1.227 60 V CA -1.620 60.674 62.300 -0.010 0.000 0.954 60 V CB 2.556 34.359 31.823 -0.032 0.000 1.055 60 V HN -0.065 nan 8.190 nan 0.000 0.429 61 P HA 0.196 nan 4.420 nan 0.000 0.226 61 P C -0.606 176.717 177.300 0.040 0.000 1.758 61 P CA 0.119 63.246 63.100 0.045 0.000 0.896 61 P CB 0.207 31.927 31.700 0.033 0.000 1.784 62 V N 2.008 121.933 119.914 0.019 0.000 2.735 62 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 62 V C 0.319 176.416 176.094 0.005 0.000 1.061 62 V CA -0.793 61.520 62.300 0.021 0.000 0.913 62 V CB 2.298 34.120 31.823 -0.001 0.000 1.005 62 V HN 0.215 nan 8.190 nan 0.000 0.428 63 M N 3.110 122.741 119.600 0.051 0.000 2.591 63 M HA 0.844 5.323 4.480 -0.000 0.000 0.306 63 M C -1.439 174.916 176.300 0.092 0.000 1.190 63 M CA -0.776 54.539 55.300 0.026 0.000 0.889 63 M CB 2.237 34.865 32.600 0.048 0.000 1.728 63 M HN 0.238 nan 8.290 nan 0.000 0.458 64 V N 2.465 122.436 119.914 0.094 0.000 2.408 64 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 64 V C 0.647 176.811 176.094 0.116 0.000 1.047 64 V CA -0.328 62.061 62.300 0.148 0.000 0.937 64 V CB 0.612 32.549 31.823 0.190 0.000 0.999 64 V HN 1.014 nan 8.190 nan 0.000 0.472 65 T N 2.490 117.115 114.554 0.118 0.000 2.899 65 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 65 T C 0.656 175.415 174.700 0.098 0.000 1.004 65 T CA -0.145 62.024 62.100 0.114 0.000 1.043 65 T CB 1.411 70.346 68.868 0.111 0.000 1.013 65 T HN 0.890 nan 8.240 nan 0.000 0.518 66 G N 0.558 109.414 108.800 0.095 0.000 2.432 66 G HA2 0.428 4.388 3.960 -0.000 0.000 0.239 66 G HA3 0.428 4.388 3.960 -0.000 0.000 0.239 66 G C 0.127 175.066 174.900 0.065 0.000 1.291 66 G CA -0.449 44.704 45.100 0.088 0.000 0.863 66 G HN 0.834 nan 8.290 nan 0.000 0.560 67 M N 0.136 119.784 119.600 0.079 0.000 2.199 67 M HA 0.201 4.681 4.480 -0.000 0.000 0.191 67 M C 0.973 177.325 176.300 0.087 0.000 1.744 67 M CA 0.263 55.607 55.300 0.073 0.000 1.005 67 M CB 0.943 33.582 32.600 0.066 0.000 1.478 67 M HN 0.570 nan 8.290 nan 0.000 0.585 68 T N -0.761 113.841 114.554 0.080 0.000 2.716 68 T HA 0.764 5.114 4.350 -0.000 0.000 0.286 68 T C -1.375 173.300 174.700 -0.043 0.000 1.052 68 T CA 0.168 62.299 62.100 0.051 0.000 1.024 68 T CB 2.128 71.004 68.868 0.013 0.000 1.349 68 T HN 0.629 nan 8.240 nan 0.000 0.525 69 G N -1.469 107.209 108.800 -0.204 0.000 2.317 69 G HA2 0.454 4.414 3.960 -0.000 0.000 0.445 69 G HA3 0.454 4.414 3.960 -0.000 0.000 0.445 69 G C 0.265 174.948 174.900 -0.363 0.000 1.486 69 G CA 0.401 45.059 45.100 -0.736 0.000 0.991 69 G HN 1.852 nan 8.290 nan 0.000 0.660 70 G N -0.764 107.804 108.800 -0.386 0.000 2.227 70 G HA2 0.271 4.231 3.960 -0.000 0.000 0.168 70 G HA3 0.271 4.231 3.960 -0.000 0.000 0.168 70 G C 0.135 175.023 174.900 -0.020 0.000 1.006 70 G CA 0.853 45.945 45.100 -0.013 0.000 0.684 70 G HN 1.333 nan 8.290 nan 0.000 0.489 71 R N -1.037 119.416 120.500 -0.079 0.000 2.765 71 R HA 0.276 4.616 4.340 -0.000 0.000 0.277 71 R C 0.467 176.730 176.300 -0.060 0.000 1.028 71 R CA -0.391 55.684 56.100 -0.042 0.000 0.860 71 R CB -0.204 30.083 30.300 -0.023 0.000 1.270 71 R HN -0.022 nan 8.270 nan 0.000 0.484 72 N N 1.484 120.163 118.700 -0.035 0.000 2.043 72 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 72 N C 1.193 176.681 175.510 -0.036 0.000 1.037 72 N CA 1.986 55.016 53.050 -0.033 0.000 0.851 72 N CB -0.010 38.468 38.487 -0.016 0.000 1.027 72 N HN 0.610 nan 8.380 nan 0.000 0.422 73 E N 0.444 120.629 120.200 -0.025 0.000 2.268 73 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 73 E C 1.620 178.201 176.600 -0.032 0.000 0.995 73 E CA 0.633 57.022 56.400 -0.018 0.000 0.836 73 E CB -0.360 29.340 29.700 -0.001 0.000 0.763 73 E HN 0.182 nan 8.360 nan 0.000 0.491 74 L N 1.449 122.640 121.223 -0.053 0.000 2.072 74 L HA 0.063 4.402 4.340 -0.000 0.000 0.205 74 L C 2.655 179.452 176.870 -0.121 0.000 1.079 74 L CA 1.965 56.756 54.840 -0.082 0.000 0.752 74 L CB -1.312 40.686 42.059 -0.102 0.000 0.906 74 L HN 0.303 nan 8.230 nan 0.000 0.436 75 G N -0.454 108.263 108.800 -0.138 0.000 2.432 75 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 75 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 75 G C 1.766 176.624 174.900 -0.072 0.000 1.135 75 G CA 0.940 45.959 45.100 -0.135 0.000 0.767 75 G HN 0.442 nan 8.290 nan 0.000 0.550 76 R N 0.206 120.677 120.500 -0.049 0.000 2.090 76 R HA 0.156 4.495 4.340 -0.000 0.000 0.228 76 R C 2.275 178.562 176.300 -0.021 0.000 1.110 76 R CA 1.058 57.143 56.100 -0.025 0.000 0.973 76 R CB -0.530 29.762 30.300 -0.015 0.000 0.869 76 R HN 0.360 nan 8.270 nan 0.000 0.440 77 I N 1.542 122.094 120.570 -0.031 0.000 2.142 77 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 77 I C 1.700 177.802 176.117 -0.024 0.000 1.078 77 I CA 1.368 62.650 61.300 -0.030 0.000 1.343 77 I CB -0.515 37.461 38.000 -0.040 0.000 1.046 77 I HN 0.282 nan 8.210 nan 0.000 0.405 78 N N 0.899 119.573 118.700 -0.042 0.000 2.137 78 N HA -0.227 4.512 4.740 -0.000 0.000 0.190 78 N C 1.755 177.267 175.510 0.003 0.000 1.017 78 N CA 1.222 54.255 53.050 -0.027 0.000 0.859 78 N CB -0.305 38.137 38.487 -0.075 0.000 1.002 78 N HN 0.341 nan 8.380 nan 0.000 0.428 79 K N 0.769 121.168 120.400 -0.002 0.000 2.002 79 K HA -0.054 4.266 4.320 -0.000 0.000 0.209 79 K C 2.052 178.674 176.600 0.035 0.000 1.048 79 K CA 0.980 57.276 56.287 0.017 0.000 0.930 79 K CB -0.181 32.325 32.500 0.009 0.000 0.714 79 K HN 0.108 nan 8.250 nan 0.000 0.438 80 I N 1.009 121.596 120.570 0.029 0.000 2.226 80 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 80 I C 2.263 178.424 176.117 0.073 0.000 1.100 80 I CA 1.165 62.491 61.300 0.043 0.000 1.374 80 I CB -0.200 37.814 38.000 0.022 0.000 1.057 80 I HN 0.190 nan 8.210 nan 0.000 0.413 81 I N 0.677 121.285 120.570 0.063 0.000 2.142 81 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 81 I C 2.814 179.019 176.117 0.147 0.000 1.078 81 I CA 1.458 62.824 61.300 0.109 0.000 1.343 81 I CB -0.550 37.499 38.000 0.081 0.000 1.046 81 I HN 0.178 nan 8.210 nan 0.000 0.405 82 A N 1.192 124.072 122.820 0.101 0.000 1.902 82 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 82 A C 2.290 179.935 177.584 0.102 0.000 1.181 82 A CA 2.015 54.108 52.037 0.093 0.000 0.623 82 A CB -0.794 18.246 19.000 0.067 0.000 0.818 82 A HN 0.652 nan 8.150 nan 0.000 0.443 83 E N -0.131 120.128 120.200 0.099 0.000 2.106 83 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 83 E C 1.715 178.403 176.600 0.147 0.000 0.984 83 E CA 1.588 58.047 56.400 0.098 0.000 0.806 83 E CB -0.526 29.219 29.700 0.076 0.000 0.750 83 E HN 0.308 nan 8.360 nan 0.000 0.458 84 V N 1.850 121.892 119.914 0.214 0.000 2.379 84 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 84 V C 2.675 179.019 176.094 0.416 0.000 1.044 84 V CA 1.663 64.181 62.300 0.362 0.000 1.036 84 V CB -0.687 31.387 31.823 0.419 0.000 0.664 84 V HN 0.467 nan 8.190 nan 0.000 0.453 85 A N 0.282 123.279 122.820 0.294 0.000 1.908 85 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 85 A C 2.196 179.837 177.584 0.095 0.000 1.181 85 A CA 2.156 54.274 52.037 0.135 0.000 0.627 85 A CB -0.535 18.519 19.000 0.091 0.000 0.818 85 A HN 0.570 nan 8.150 nan 0.000 0.445 86 E N 0.270 120.525 120.200 0.091 0.000 2.070 86 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 86 E C 2.001 178.619 176.600 0.031 0.000 1.004 86 E CA 2.042 58.471 56.400 0.048 0.000 0.805 86 E CB -0.267 29.458 29.700 0.043 0.000 0.744 86 E HN 0.584 nan 8.360 nan 0.000 0.451 87 K N -1.221 119.207 120.400 0.047 0.000 2.103 87 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 87 K C 1.416 177.890 176.600 -0.211 0.000 1.048 87 K CA 1.479 57.718 56.287 -0.080 0.000 0.930 87 K CB -0.205 32.241 32.500 -0.090 0.000 0.716 87 K HN 0.201 nan 8.250 nan 0.000 0.444 88 F N -0.326 119.597 119.950 -0.045 0.000 2.765 88 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 88 F C 1.182 176.911 175.800 -0.118 0.000 1.111 88 F CA 0.516 58.459 58.000 -0.095 0.000 1.359 88 F CB 0.875 39.759 39.000 -0.193 0.000 1.097 88 F HN 0.205 nan 8.300 nan 0.000 0.577 89 G N 2.280 111.100 108.800 0.033 0.000 2.246 89 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.273 89 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.273 89 G C 0.116 174.988 174.900 -0.047 0.000 1.055 89 G CA 0.351 45.445 45.100 -0.010 0.000 0.851 89 G HN 0.477 nan 8.290 nan 0.000 0.500 90 I N -2.293 118.224 120.570 -0.088 0.000 2.474 90 I HA 0.704 4.874 4.170 -0.000 0.000 0.294 90 I C -2.265 173.748 176.117 -0.174 0.000 1.005 90 I CA -3.250 57.952 61.300 -0.164 0.000 1.113 90 I CB 2.242 40.069 38.000 -0.288 0.000 1.289 90 I HN -0.124 nan 8.210 nan 0.000 0.436 91 P HA 0.221 nan 4.420 nan 0.000 0.272 91 P C -0.966 176.231 177.300 -0.171 0.000 1.223 91 P CA -0.293 62.604 63.100 -0.339 0.000 0.784 91 P CB 1.033 32.208 31.700 -0.875 0.000 0.923 92 M N 1.595 121.138 119.600 -0.094 0.000 2.267 92 M HA 0.549 5.029 4.480 -0.000 0.000 0.289 92 M C -0.494 175.834 176.300 0.047 0.000 1.043 92 M CA -0.457 54.849 55.300 0.009 0.000 0.928 92 M CB 2.024 34.651 32.600 0.045 0.000 1.613 92 M HN 0.429 nan 8.290 nan 0.000 0.450 93 G N 3.145 111.996 108.800 0.085 0.000 2.425 93 G HA2 0.571 4.530 3.960 -0.000 0.000 0.302 93 G HA3 0.571 4.530 3.960 -0.000 0.000 0.302 93 G C -0.483 174.487 174.900 0.117 0.000 1.159 93 G CA -0.578 44.589 45.100 0.112 0.000 0.865 93 G HN 0.792 nan 8.290 nan 0.000 0.515 94 V N 0.016 120.013 119.914 0.138 0.000 3.096 94 V HA 0.929 5.049 4.120 -0.000 0.000 0.319 94 V C 0.999 177.212 176.094 0.199 0.000 1.082 94 V CA -0.311 62.108 62.300 0.197 0.000 1.022 94 V CB 1.033 33.053 31.823 0.327 0.000 1.103 94 V HN 0.975 nan 8.190 nan 0.000 0.455 95 G N 0.364 109.323 108.800 0.264 0.000 2.684 95 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 95 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 95 G C 0.216 175.261 174.900 0.241 0.000 1.219 95 G CA 0.158 45.393 45.100 0.226 0.000 0.901 95 G HN 1.241 nan 8.290 nan 0.000 0.548 96 S N -1.071 114.719 115.700 0.150 0.000 2.575 96 S HA -0.028 4.442 4.470 -0.000 0.000 0.295 96 S C 1.232 175.831 174.600 -0.002 0.000 1.267 96 S CA 0.171 58.428 58.200 0.094 0.000 1.074 96 S CB 0.350 63.639 63.200 0.148 0.000 0.829 96 S HN 0.565 nan 8.310 nan 0.000 0.497 97 Q N 3.048 122.697 119.800 -0.251 0.000 2.360 97 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 97 Q C 2.080 177.955 176.000 -0.209 0.000 0.915 97 Q CA -0.168 55.298 55.803 -0.562 0.000 0.943 97 Q CB 0.125 28.459 28.738 -0.674 0.000 1.064 97 Q HN 0.740 nan 8.270 nan 0.000 0.511 98 R N 0.551 121.017 120.500 -0.056 0.000 2.112 98 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 98 R C 2.055 178.408 176.300 0.087 0.000 1.137 98 R CA 1.829 57.961 56.100 0.052 0.000 0.944 98 R CB -0.601 29.685 30.300 -0.023 0.000 0.857 98 R HN 0.268 nan 8.270 nan 0.000 0.435 99 V N 0.654 120.623 119.914 0.091 0.000 2.469 99 V HA -0.184 3.936 4.120 -0.000 0.000 0.251 99 V C 2.060 178.232 176.094 0.131 0.000 1.064 99 V CA 2.238 64.614 62.300 0.126 0.000 1.066 99 V CB -0.346 31.581 31.823 0.173 0.000 0.667 99 V HN 0.572 nan 8.190 nan 0.000 0.461 100 A N -0.800 122.085 122.820 0.109 0.000 2.132 100 A HA 0.151 4.471 4.320 -0.000 0.000 0.213 100 A C 1.970 179.566 177.584 0.021 0.000 1.154 100 A CA 0.841 52.932 52.037 0.091 0.000 0.753 100 A CB -0.250 18.787 19.000 0.062 0.000 0.826 100 A HN 0.495 nan 8.150 nan 0.000 0.469 101 I N 0.053 120.629 120.570 0.010 0.000 2.277 101 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 101 I C 2.151 178.275 176.117 0.012 0.000 1.094 101 I CA 1.212 62.505 61.300 -0.012 0.000 1.393 101 I CB -1.451 36.534 38.000 -0.025 0.000 1.078 101 I HN 0.425 nan 8.210 nan 0.000 0.417 102 E N 0.876 121.113 120.200 0.061 0.000 2.153 102 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 102 E C 0.275 176.901 176.600 0.044 0.000 0.988 102 E CA 0.965 57.401 56.400 0.059 0.000 0.811 102 E CB 0.142 29.890 29.700 0.081 0.000 0.746 102 E HN 0.390 nan 8.360 nan 0.000 0.466 103 K N -0.997 119.433 120.400 0.051 0.000 2.578 103 K HA 0.365 4.684 4.320 -0.000 0.000 0.250 103 K C -0.233 176.399 176.600 0.053 0.000 0.955 103 K CA -0.233 56.083 56.287 0.049 0.000 0.825 103 K CB 1.946 34.479 32.500 0.056 0.000 1.151 103 K HN -0.090 nan 8.250 nan 0.000 0.432 104 A N 2.717 125.561 122.820 0.039 0.000 2.015 104 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 104 A C 1.297 178.911 177.584 0.050 0.000 1.163 104 A CA 1.344 53.405 52.037 0.040 0.000 0.646 104 A CB -0.280 18.735 19.000 0.025 0.000 0.806 104 A HN 0.815 nan 8.150 nan 0.000 0.448 105 E N 0.351 120.578 120.200 0.046 0.000 2.268 105 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 105 E C 1.775 178.409 176.600 0.057 0.000 0.995 105 E CA 1.026 57.452 56.400 0.043 0.000 0.836 105 E CB -0.381 29.339 29.700 0.032 0.000 0.763 105 E HN 0.587 nan 8.360 nan 0.000 0.491 106 A N 0.723 123.595 122.820 0.087 0.000 2.169 106 A HA 0.033 4.353 4.320 -0.000 0.000 0.212 106 A C 1.817 179.525 177.584 0.206 0.000 1.153 106 A CA 0.267 52.380 52.037 0.128 0.000 0.756 106 A CB -0.090 19.018 19.000 0.180 0.000 0.813 106 A HN 0.043 nan 8.150 nan 0.000 0.471 107 R N -0.264 120.344 120.500 0.179 0.000 2.105 107 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 107 R C 2.079 178.492 176.300 0.188 0.000 1.135 107 R CA 1.545 57.771 56.100 0.210 0.000 0.967 107 R CB -0.177 30.190 30.300 0.111 0.000 0.861 107 R HN 0.531 nan 8.270 nan 0.000 0.442 108 E N 0.849 121.109 120.200 0.100 0.000 2.153 108 E HA -0.150 4.199 4.350 -0.000 0.000 0.194 108 E C 1.707 178.323 176.600 0.025 0.000 0.988 108 E CA 1.827 58.262 56.400 0.059 0.000 0.811 108 E CB -0.085 29.634 29.700 0.031 0.000 0.746 108 E HN 0.305 nan 8.360 nan 0.000 0.466 109 S N -1.317 114.362 115.700 -0.035 0.000 2.507 109 S HA -0.061 4.408 4.470 -0.000 0.000 0.235 109 S C 1.622 176.025 174.600 -0.328 0.000 0.988 109 S CA 0.699 58.780 58.200 -0.197 0.000 0.944 109 S CB -0.478 62.547 63.200 -0.293 0.000 0.762 109 S HN 0.279 nan 8.310 nan 0.000 0.526 110 F N 1.364 121.325 119.950 0.020 0.000 2.453 110 F HA 0.495 5.021 4.527 -0.000 0.000 0.284 110 F C 2.752 178.564 175.800 0.019 0.000 1.065 110 F CA 0.168 58.179 58.000 0.020 0.000 1.411 110 F CB -0.799 38.212 39.000 0.018 0.000 1.131 110 F HN 0.233 nan 8.300 nan 0.000 0.582 111 A N 0.460 123.402 122.820 0.203 0.000 1.978 111 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 111 A C 2.103 179.733 177.584 0.077 0.000 1.170 111 A CA 1.651 53.758 52.037 0.117 0.000 0.636 111 A CB -1.078 17.975 19.000 0.088 0.000 0.810 111 A HN 0.345 nan 8.150 nan 0.000 0.448 112 I N -0.064 120.539 120.570 0.055 0.000 2.300 112 I HA -0.216 3.954 4.170 -0.000 0.000 0.252 112 I C 2.234 178.375 176.117 0.040 0.000 1.119 112 I CA 1.356 62.676 61.300 0.033 0.000 1.384 112 I CB -0.360 37.645 38.000 0.009 0.000 1.062 112 I HN 0.126 nan 8.210 nan 0.000 0.426 113 V N 0.627 120.573 119.914 0.054 0.000 2.287 113 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 113 V C 2.703 178.830 176.094 0.056 0.000 1.053 113 V CA 2.298 64.634 62.300 0.060 0.000 1.027 113 V CB -0.827 31.047 31.823 0.084 0.000 0.646 113 V HN 0.408 nan 8.190 nan 0.000 0.447 114 R N 0.198 120.733 120.500 0.057 0.000 2.153 114 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 114 R C 2.146 178.468 176.300 0.037 0.000 1.072 114 R CA 1.187 57.314 56.100 0.046 0.000 0.990 114 R CB -0.365 29.962 30.300 0.045 0.000 0.889 114 R HN 0.442 nan 8.270 nan 0.000 0.452 115 K N -0.789 119.633 120.400 0.037 0.000 2.026 115 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 115 K C 1.637 178.254 176.600 0.028 0.000 1.048 115 K CA 1.618 57.922 56.287 0.030 0.000 0.929 115 K CB -0.281 32.235 32.500 0.028 0.000 0.713 115 K HN 0.077 nan 8.250 nan 0.000 0.439 116 V N 0.098 120.031 119.914 0.032 0.000 3.608 116 V HA 0.129 4.249 4.120 -0.000 0.000 0.269 116 V C 0.077 176.193 176.094 0.035 0.000 1.245 116 V CA 0.459 62.778 62.300 0.032 0.000 1.138 116 V CB 0.492 32.336 31.823 0.035 0.000 0.841 116 V HN 0.246 nan 8.190 nan 0.000 0.451 117 A N 0.814 123.656 122.820 0.036 0.000 3.216 117 A HA 0.579 4.898 4.320 -0.000 0.000 0.321 117 A C -1.709 175.891 177.584 0.028 0.000 1.042 117 A CA -0.733 51.324 52.037 0.034 0.000 0.838 117 A CB 0.510 19.534 19.000 0.041 0.000 1.136 117 A HN 0.274 nan 8.150 nan 0.000 0.483 118 P HA -0.078 nan 4.420 nan 0.000 0.229 118 P C 1.208 178.519 177.300 0.019 0.000 1.160 118 P CA 1.775 64.888 63.100 0.021 0.000 0.777 118 P CB 0.246 31.956 31.700 0.017 0.000 0.814 119 T N -2.912 111.651 114.554 0.016 0.000 3.026 119 T HA 0.146 4.496 4.350 -0.000 0.000 0.245 119 T C 1.248 175.956 174.700 0.012 0.000 1.004 119 T CA -0.228 61.881 62.100 0.014 0.000 1.069 119 T CB -1.064 67.810 68.868 0.009 0.000 1.005 119 T HN 0.075 nan 8.240 nan 0.000 0.472 120 I N 1.302 121.873 120.570 0.003 0.000 2.948 120 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 120 I C -2.781 173.326 176.117 -0.015 0.000 1.226 120 I CA -2.179 59.110 61.300 -0.019 0.000 1.413 120 I CB -0.292 37.687 38.000 -0.035 0.000 1.352 120 I HN -0.095 nan 8.210 nan 0.000 0.597 121 P HA 0.232 nan 4.420 nan 0.000 0.267 121 P C -0.757 176.522 177.300 -0.036 0.000 1.205 121 P CA 0.127 63.219 63.100 -0.014 0.000 0.765 121 P CB 0.488 32.145 31.700 -0.072 0.000 0.828 122 I N 4.561 125.154 120.570 0.038 0.000 2.433 122 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 122 I C 0.102 176.273 176.117 0.091 0.000 1.001 122 I CA -0.787 60.544 61.300 0.050 0.000 1.119 122 I CB 1.534 39.567 38.000 0.054 0.000 1.289 122 I HN 0.199 nan 8.210 nan 0.000 0.438 123 I N 4.852 125.485 120.570 0.105 0.000 2.362 123 I HA 0.492 4.662 4.170 -0.000 0.000 0.289 123 I C 0.754 176.921 176.117 0.084 0.000 0.994 123 I CA -0.161 61.218 61.300 0.132 0.000 1.158 123 I CB 1.600 39.729 38.000 0.215 0.000 1.315 123 I HN 0.648 nan 8.210 nan 0.000 0.451 124 A N 5.308 128.150 122.820 0.037 0.000 2.346 124 A HA 0.499 4.819 4.320 -0.000 0.000 0.255 124 A C 0.079 177.641 177.584 -0.037 0.000 1.113 124 A CA -0.160 51.862 52.037 -0.026 0.000 0.798 124 A CB 0.304 19.254 19.000 -0.084 0.000 1.073 124 A HN 0.769 nan 8.150 nan 0.000 0.502 125 N N -0.476 118.162 118.700 -0.102 0.000 2.455 125 N HA 0.513 5.253 4.740 -0.000 0.000 0.285 125 N C -2.057 173.354 175.510 -0.166 0.000 1.080 125 N CA -0.247 52.760 53.050 -0.072 0.000 0.932 125 N CB 1.195 39.703 38.487 0.033 0.000 1.610 125 N HN 0.572 nan 8.380 nan 0.000 0.493 126 L N 1.039 122.121 121.223 -0.235 0.000 2.466 126 L HA 0.585 4.925 4.340 -0.000 0.000 0.258 126 L C 0.633 177.203 176.870 -0.500 0.000 0.973 126 L CA -1.050 53.590 54.840 -0.334 0.000 0.826 126 L CB 2.190 43.949 42.059 -0.500 0.000 1.372 126 L HN 0.531 nan 8.230 nan 0.000 0.409 127 G N 0.441 108.843 108.800 -0.664 0.000 2.395 127 G HA2 0.370 4.330 3.960 -0.000 0.000 0.283 127 G HA3 0.370 4.330 3.960 -0.000 0.000 0.283 127 G C 0.475 175.033 174.900 -0.570 0.000 1.178 127 G CA -0.450 43.974 45.100 -1.128 0.000 0.837 127 G HN 0.698 nan 8.290 nan 0.000 0.518 128 M N 3.287 122.609 119.600 -0.463 0.000 2.149 128 M HA -0.006 4.474 4.480 -0.000 0.000 0.261 128 M C -0.302 175.743 176.300 -0.425 0.000 1.064 128 M CA 1.603 56.713 55.300 -0.318 0.000 1.102 128 M CB -0.674 31.806 32.600 -0.200 0.000 1.369 128 M HN 0.371 nan 8.290 nan 0.000 0.408 129 P HA -0.164 nan 4.420 nan 0.000 0.216 129 P C 1.183 178.305 177.300 -0.297 0.000 1.150 129 P CA 1.304 64.140 63.100 -0.440 0.000 0.843 129 P CB -0.164 31.355 31.700 -0.302 0.000 0.787 130 Q N -0.750 118.841 119.800 -0.349 0.000 2.181 130 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 130 Q C 2.125 178.027 176.000 -0.163 0.000 0.980 130 Q CA 1.116 56.656 55.803 -0.439 0.000 0.862 130 Q CB -1.241 26.880 28.738 -1.028 0.000 0.905 130 Q HN 0.267 nan 8.270 nan 0.000 0.429 131 L N -0.316 120.852 121.223 -0.092 0.000 2.191 131 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 131 L C 1.923 178.810 176.870 0.028 0.000 1.103 131 L CA 1.010 55.855 54.840 0.008 0.000 0.769 131 L CB -0.332 41.701 42.059 -0.044 0.000 0.908 131 L HN 0.249 nan 8.230 nan 0.000 0.438 132 V N -3.732 116.178 119.914 -0.005 0.000 3.590 132 V HA 0.014 4.133 4.120 -0.000 0.000 0.265 132 V C 1.338 177.473 176.094 0.069 0.000 1.239 132 V CA 0.523 62.879 62.300 0.093 0.000 1.117 132 V CB -0.203 31.644 31.823 0.040 0.000 0.818 132 V HN 0.279 nan 8.190 nan 0.000 0.451 133 K N 0.787 121.208 120.400 0.035 0.000 2.681 133 K HA 0.581 4.901 4.320 -0.000 0.000 0.211 133 K C 1.116 177.795 176.600 0.131 0.000 1.075 133 K CA 0.480 56.793 56.287 0.044 0.000 1.141 133 K CB 0.615 33.107 32.500 -0.012 0.000 0.896 133 K HN 0.637 nan 8.250 nan 0.000 0.470 134 G N 0.175 109.074 108.800 0.165 0.000 2.436 134 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.204 134 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.204 134 G C -0.290 174.740 174.900 0.218 0.000 1.026 134 G CA -0.677 44.529 45.100 0.177 0.000 0.658 134 G HN 0.184 nan 8.290 nan 0.000 0.499 135 Y N 2.092 122.417 120.300 0.040 0.000 2.702 135 Y HA 0.424 4.974 4.550 -0.000 0.000 0.336 135 Y C 1.282 177.223 175.900 0.069 0.000 1.235 135 Y CA 1.344 59.488 58.100 0.072 0.000 1.492 135 Y CB 1.055 39.575 38.460 0.101 0.000 1.308 135 Y HN 0.625 nan 8.280 nan 0.000 0.589 136 G N 0.934 109.834 108.800 0.166 0.000 2.753 136 G HA2 0.170 4.130 3.960 -0.000 0.000 0.303 136 G HA3 0.170 4.130 3.960 -0.000 0.000 0.303 136 G C 0.164 175.041 174.900 -0.038 0.000 1.242 136 G CA -0.629 44.465 45.100 -0.011 0.000 0.810 136 G HN 0.672 nan 8.290 nan 0.000 0.515 137 L N -0.311 120.830 121.223 -0.137 0.000 2.064 137 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 137 L C 2.783 179.662 176.870 0.016 0.000 1.077 137 L CA 2.726 57.504 54.840 -0.104 0.000 0.766 137 L CB -0.135 41.866 42.059 -0.098 0.000 0.890 137 L HN 0.605 nan 8.230 nan 0.000 0.435 138 K N 0.340 120.741 120.400 0.002 0.000 2.103 138 K HA -0.174 4.145 4.320 -0.000 0.000 0.204 138 K C 1.765 178.369 176.600 0.007 0.000 1.052 138 K CA 1.501 57.785 56.287 -0.005 0.000 0.945 138 K CB -0.056 32.422 32.500 -0.036 0.000 0.722 138 K HN 0.235 nan 8.250 nan 0.000 0.443 139 E N -0.336 119.867 120.200 0.006 0.000 2.110 139 E HA -0.064 4.285 4.350 -0.000 0.000 0.193 139 E C 1.749 178.404 176.600 0.092 0.000 0.988 139 E CA 1.387 57.764 56.400 -0.038 0.000 0.804 139 E CB -0.306 29.257 29.700 -0.229 0.000 0.745 139 E HN 0.309 nan 8.360 nan 0.000 0.458 140 F N 1.068 120.993 119.950 -0.041 0.000 2.102 140 F HA -0.243 4.283 4.527 -0.000 0.000 0.298 140 F C 2.458 178.231 175.800 -0.045 0.000 1.105 140 F CA 1.277 59.258 58.000 -0.031 0.000 1.239 140 F CB -0.125 38.855 39.000 -0.033 0.000 0.991 140 F HN 0.016 nan 8.300 nan 0.000 0.474 141 Q N 0.004 119.890 119.800 0.143 0.000 2.124 141 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 141 Q C 1.712 177.717 176.000 0.009 0.000 0.977 141 Q CA 1.596 57.431 55.803 0.053 0.000 0.850 141 Q CB -0.235 28.521 28.738 0.030 0.000 0.901 141 Q HN 0.357 nan 8.270 nan 0.000 0.429 142 D N 0.502 120.897 120.400 -0.008 0.000 2.097 142 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 142 D C 1.820 178.085 176.300 -0.059 0.000 0.989 142 D CA 1.455 55.433 54.000 -0.036 0.000 0.827 142 D CB -0.346 40.421 40.800 -0.055 0.000 0.966 142 D HN 0.267 nan 8.370 nan 0.000 0.456 143 A N 0.753 123.520 122.820 -0.089 0.000 1.865 143 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 143 A C 2.428 179.952 177.584 -0.100 0.000 1.191 143 A CA 1.308 53.259 52.037 -0.144 0.000 0.623 143 A CB -0.892 17.979 19.000 -0.215 0.000 0.826 143 A HN 0.209 nan 8.150 nan 0.000 0.444 144 I N 0.047 120.580 120.570 -0.062 0.000 2.113 144 I HA -0.323 3.847 4.170 -0.000 0.000 0.238 144 I C 2.758 178.866 176.117 -0.016 0.000 1.070 144 I CA 1.942 63.224 61.300 -0.030 0.000 1.332 144 I CB -0.412 37.585 38.000 -0.005 0.000 1.044 144 I HN 0.601 nan 8.210 nan 0.000 0.402 145 Q N 0.809 120.601 119.800 -0.012 0.000 2.369 145 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 145 Q C 2.001 178.001 176.000 -0.000 0.000 0.963 145 Q CA 1.325 57.125 55.803 -0.004 0.000 0.894 145 Q CB -0.809 27.927 28.738 -0.003 0.000 0.965 145 Q HN 0.552 nan 8.270 nan 0.000 0.475 146 M N 0.649 120.243 119.600 -0.009 0.000 2.358 146 M HA -0.001 4.478 4.480 -0.000 0.000 0.264 146 M C 0.936 177.255 176.300 0.032 0.000 1.064 146 M CA 1.575 56.877 55.300 0.004 0.000 1.093 146 M CB 0.151 32.736 32.600 -0.024 0.000 1.401 146 M HN 0.547 nan 8.290 nan 0.000 0.440 147 I N -4.371 116.215 120.570 0.027 0.000 4.453 147 I HA 0.304 4.473 4.170 -0.000 0.000 0.342 147 I C -0.670 175.470 176.117 0.037 0.000 1.341 147 I CA -0.331 60.998 61.300 0.049 0.000 1.217 147 I CB 0.041 38.084 38.000 0.071 0.000 1.545 147 I HN 0.116 nan 8.210 nan 0.000 0.557 148 E N 2.086 122.300 120.200 0.024 0.000 2.252 148 E HA -0.184 4.166 4.350 -0.000 0.000 0.218 148 E C 0.530 177.146 176.600 0.026 0.000 1.253 148 E CA 0.351 56.764 56.400 0.021 0.000 0.705 148 E CB -1.022 28.692 29.700 0.023 0.000 1.172 148 E HN 0.731 nan 8.360 nan 0.000 0.369 149 A N 0.745 123.578 122.820 0.022 0.000 2.483 149 A HA 0.033 4.353 4.320 -0.000 0.000 0.238 149 A C 0.977 178.578 177.584 0.029 0.000 1.070 149 A CA 0.202 52.257 52.037 0.030 0.000 0.770 149 A CB 0.368 19.378 19.000 0.017 0.000 1.008 149 A HN 0.308 nan 8.150 nan 0.000 0.497 150 D N 0.232 120.666 120.400 0.057 0.000 2.350 150 D HA 0.366 5.006 4.640 -0.000 0.000 0.213 150 D C 0.483 176.772 176.300 -0.018 0.000 1.031 150 D CA 1.433 55.467 54.000 0.057 0.000 0.861 150 D CB 0.406 41.295 40.800 0.148 0.000 0.926 150 D HN 0.736 nan 8.370 nan 0.000 0.520 151 A N 0.406 123.226 122.820 0.001 0.000 2.544 151 A HA 0.571 4.891 4.320 -0.000 0.000 0.291 151 A C -1.913 175.672 177.584 0.001 0.000 1.055 151 A CA -0.670 51.317 52.037 -0.083 0.000 0.651 151 A CB 1.132 20.037 19.000 -0.158 0.000 1.296 151 A HN 0.067 nan 8.150 nan 0.000 0.431 152 I N 0.575 121.137 120.570 -0.012 0.000 2.498 152 I HA 0.702 4.872 4.170 -0.000 0.000 0.290 152 I C 0.089 176.219 176.117 0.023 0.000 1.032 152 I CA -0.713 60.582 61.300 -0.009 0.000 1.073 152 I CB 1.629 39.601 38.000 -0.046 0.000 1.251 152 I HN 1.037 nan 8.210 nan 0.000 0.426 153 A N 7.377 130.215 122.820 0.030 0.000 2.276 153 A HA 0.628 4.948 4.320 -0.000 0.000 0.300 153 A C -0.850 176.736 177.584 0.004 0.000 1.235 153 A CA -0.410 51.665 52.037 0.064 0.000 0.867 153 A CB 0.783 19.849 19.000 0.110 0.000 1.137 153 A HN 0.485 nan 8.150 nan 0.000 0.527 154 V N 5.944 125.870 119.914 0.021 0.000 2.350 154 V HA 0.250 4.370 4.120 -0.000 0.000 0.276 154 V C 0.358 176.459 176.094 0.011 0.000 1.028 154 V CA -0.605 61.673 62.300 -0.037 0.000 0.860 154 V CB 0.699 32.540 31.823 0.030 0.000 0.990 154 V HN 0.994 nan 8.190 nan 0.000 0.453 155 H N 5.226 124.295 119.070 -0.001 0.000 2.487 155 H HA 0.620 5.176 4.556 -0.000 0.000 0.333 155 H C -1.147 174.219 175.328 0.065 0.000 1.114 155 H CA -0.961 55.096 56.048 0.015 0.000 1.310 155 H CB 1.436 31.174 29.762 -0.041 0.000 1.462 155 H HN 0.457 nan 8.280 nan 0.000 0.516 156 L N 3.159 124.535 121.223 0.255 0.000 2.282 156 L HA 0.238 4.578 4.340 -0.000 0.000 0.288 156 L C 0.372 177.380 176.870 0.230 0.000 1.033 156 L CA -0.405 54.604 54.840 0.281 0.000 0.807 156 L CB 1.024 43.204 42.059 0.202 0.000 1.209 156 L HN 0.853 nan 8.230 nan 0.000 0.423 157 N N 1.445 120.308 118.700 0.273 0.000 2.595 157 N HA 0.173 4.913 4.740 -0.000 0.000 0.291 157 N C -2.386 173.166 175.510 0.070 0.000 1.706 157 N CA -0.992 52.130 53.050 0.120 0.000 0.867 157 N CB 0.794 39.309 38.487 0.047 0.000 1.414 157 N HN 0.256 nan 8.380 nan 0.000 0.492 158 P HA -0.160 nan 4.420 nan 0.000 0.217 158 P C 1.576 178.808 177.300 -0.112 0.000 1.150 158 P CA 1.429 64.371 63.100 -0.263 0.000 0.832 158 P CB 0.231 31.520 31.700 -0.684 0.000 0.787 159 A N 0.481 123.278 122.820 -0.037 0.000 1.892 159 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 159 A C 2.536 180.202 177.584 0.138 0.000 1.188 159 A CA 2.119 54.183 52.037 0.044 0.000 0.631 159 A CB -1.685 17.427 19.000 0.187 0.000 0.822 159 A HN 0.232 nan 8.150 nan 0.000 0.447 160 Q N -0.888 118.990 119.800 0.130 0.000 2.050 160 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 160 Q C 1.925 177.985 176.000 0.100 0.000 0.980 160 Q CA 1.679 57.573 55.803 0.153 0.000 0.840 160 Q CB -0.148 28.634 28.738 0.072 0.000 0.898 160 Q HN 0.651 nan 8.270 nan 0.000 0.424 161 E N -0.044 120.187 120.200 0.052 0.000 2.077 161 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 161 E C 2.201 178.760 176.600 -0.069 0.000 0.989 161 E CA 1.027 57.445 56.400 0.030 0.000 0.800 161 E CB -0.405 29.349 29.700 0.091 0.000 0.746 161 E HN 0.235 nan 8.360 nan 0.000 0.452 162 V N 0.600 120.403 119.914 -0.186 0.000 2.324 162 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 162 V C 1.960 177.714 176.094 -0.567 0.000 1.060 162 V CA 1.910 63.932 62.300 -0.463 0.000 1.042 162 V CB -0.468 30.897 31.823 -0.764 0.000 0.650 162 V HN 0.154 nan 8.190 nan 0.000 0.450 163 F N -1.414 118.437 119.950 -0.165 0.000 2.714 163 F HA 0.244 4.771 4.527 -0.000 0.000 0.294 163 F C 1.344 177.082 175.800 -0.104 0.000 1.120 163 F CA -0.232 57.666 58.000 -0.170 0.000 1.398 163 F CB -0.128 38.775 39.000 -0.162 0.000 1.120 163 F HN 0.072 nan 8.300 nan 0.000 0.589 164 Q N 3.333 123.189 119.800 0.094 0.000 2.283 164 Q HA -0.044 4.296 4.340 -0.000 0.000 0.301 164 Q C -1.508 174.500 176.000 0.013 0.000 1.063 164 Q CA -1.150 54.703 55.803 0.083 0.000 0.952 164 Q CB 0.995 29.790 28.738 0.095 0.000 1.166 164 Q HN -0.020 nan 8.270 nan 0.000 0.381 165 P HA -0.221 nan 4.420 nan 0.000 0.215 165 P C 0.222 177.514 177.300 -0.014 0.000 1.157 165 P CA 1.519 64.606 63.100 -0.023 0.000 0.874 165 P CB 0.013 31.709 31.700 -0.007 0.000 0.790 166 E N 0.598 120.801 120.200 0.006 0.000 2.349 166 E HA 0.185 4.535 4.350 -0.000 0.000 0.201 166 E C 0.540 177.144 176.600 0.007 0.000 1.087 166 E CA -0.433 55.971 56.400 0.006 0.000 1.128 166 E CB -0.756 28.949 29.700 0.009 0.000 1.188 166 E HN -0.018 nan 8.360 nan 0.000 0.445 167 G N 0.763 109.563 108.800 -0.000 0.000 2.467 167 G HA2 0.192 4.152 3.960 -0.000 0.000 0.257 167 G HA3 0.192 4.152 3.960 -0.000 0.000 0.257 167 G C -0.607 174.290 174.900 -0.006 0.000 1.227 167 G CA -0.562 44.540 45.100 0.004 0.000 0.835 167 G HN 0.207 nan 8.290 nan 0.000 0.556 168 E N 1.856 122.061 120.200 0.008 0.000 2.546 168 E HA 0.216 4.566 4.350 -0.000 0.000 0.227 168 E C -2.255 174.367 176.600 0.036 0.000 1.009 168 E CA -1.557 54.843 56.400 0.000 0.000 0.813 168 E CB 2.009 31.695 29.700 -0.023 0.000 1.269 168 E HN 0.257 nan 8.360 nan 0.000 0.432 169 P HA 0.095 nan 4.420 nan 0.000 0.225 169 P C -1.057 176.337 177.300 0.158 0.000 1.830 169 P CA -0.236 62.933 63.100 0.115 0.000 1.051 169 P CB 0.319 32.013 31.700 -0.010 0.000 1.929 170 E N 1.967 122.254 120.200 0.146 0.000 2.186 170 E HA 0.224 4.574 4.350 -0.000 0.000 0.255 170 E C -0.809 175.753 176.600 -0.063 0.000 0.881 170 E CA -0.544 55.882 56.400 0.043 0.000 0.752 170 E CB 1.167 30.829 29.700 -0.063 0.000 1.176 170 E HN 0.310 nan 8.360 nan 0.000 0.421 171 Y N 0.862 121.159 120.300 -0.005 0.000 2.629 171 Y HA 0.133 4.683 4.550 -0.000 0.000 0.282 171 Y C 0.154 176.059 175.900 0.009 0.000 0.994 171 Y CA -0.616 57.483 58.100 -0.001 0.000 1.126 171 Y CB 0.724 39.185 38.460 0.001 0.000 1.187 171 Y HN 0.304 nan 8.280 nan 0.000 0.600 172 Q N 0.435 120.290 119.800 0.091 0.000 2.386 172 Q HA -0.012 4.327 4.340 -0.000 0.000 0.282 172 Q C 1.564 177.609 176.000 0.076 0.000 1.050 172 Q CA 0.221 56.077 55.803 0.088 0.000 0.918 172 Q CB 0.792 29.579 28.738 0.083 0.000 1.266 172 Q HN 0.533 nan 8.270 nan 0.000 0.423 173 I N 1.865 122.475 120.570 0.067 0.000 2.335 173 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 173 I C 1.579 177.684 176.117 -0.020 0.000 1.129 173 I CA 1.364 62.668 61.300 0.006 0.000 1.402 173 I CB -0.339 37.688 38.000 0.044 0.000 1.069 173 I HN 0.834 nan 8.210 nan 0.000 0.424 174 Y N 1.377 121.648 120.300 -0.048 0.000 2.172 174 Y HA -0.429 4.121 4.550 0.000 0.000 0.280 174 Y C 2.341 178.191 175.900 -0.083 0.000 1.209 174 Y CA 2.142 60.214 58.100 -0.047 0.000 1.171 174 Y CB -0.548 37.894 38.460 -0.031 0.000 0.965 174 Y HN 0.261 nan 8.280 nan 0.000 0.520 175 A N 0.055 122.785 122.820 -0.150 0.000 2.019 175 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 175 A C 2.255 179.656 177.584 -0.305 0.000 1.164 175 A CA 1.736 53.627 52.037 -0.243 0.000 0.644 175 A CB -0.874 18.041 19.000 -0.142 0.000 0.805 175 A HN 0.604 nan 8.150 nan 0.000 0.449 176 L N -1.328 119.683 121.223 -0.353 0.000 2.162 176 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 176 L C 2.479 179.122 176.870 -0.378 0.000 1.086 176 L CA 1.202 55.749 54.840 -0.490 0.000 0.778 176 L CB -0.578 40.888 42.059 -0.988 0.000 0.928 176 L HN 0.446 nan 8.230 nan 0.000 0.446 177 E N 0.363 120.387 120.200 -0.293 0.000 2.085 177 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 177 E C 2.105 178.583 176.600 -0.203 0.000 0.994 177 E CA 1.495 57.841 56.400 -0.090 0.000 0.801 177 E CB 0.030 29.682 29.700 -0.081 0.000 0.743 177 E HN 0.271 nan 8.360 nan 0.000 0.453 178 K N 0.603 120.765 120.400 -0.397 0.000 2.057 178 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 178 K C 2.126 178.546 176.600 -0.300 0.000 1.050 178 K CA 0.629 56.682 56.287 -0.389 0.000 0.935 178 K CB -0.052 32.137 32.500 -0.518 0.000 0.715 178 K HN 0.080 nan 8.250 nan 0.000 0.439 179 L N 1.088 122.150 121.223 -0.269 0.000 2.012 179 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 179 L C 2.739 179.508 176.870 -0.169 0.000 1.073 179 L CA 1.554 56.255 54.840 -0.231 0.000 0.748 179 L CB -0.412 41.561 42.059 -0.144 0.000 0.891 179 L HN 0.338 nan 8.230 nan 0.000 0.431 180 R N -0.063 120.384 120.500 -0.088 0.000 2.096 180 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 180 R C 1.712 177.965 176.300 -0.078 0.000 1.127 180 R CA 1.847 57.928 56.100 -0.031 0.000 0.968 180 R CB -0.232 30.123 30.300 0.091 0.000 0.861 180 R HN 0.405 nan 8.270 nan 0.000 0.440 181 D N 0.823 121.159 120.400 -0.107 0.000 2.078 181 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 181 D C 2.031 178.238 176.300 -0.154 0.000 0.990 181 D CA 1.450 55.379 54.000 -0.119 0.000 0.827 181 D CB -0.357 40.368 40.800 -0.125 0.000 0.975 181 D HN 0.278 nan 8.370 nan 0.000 0.451 182 I N 1.300 121.730 120.570 -0.234 0.000 2.194 182 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 182 I C 2.430 178.419 176.117 -0.213 0.000 1.093 182 I CA 1.503 62.621 61.300 -0.304 0.000 1.355 182 I CB -0.341 37.293 38.000 -0.610 0.000 1.046 182 I HN 0.022 nan 8.210 nan 0.000 0.413 183 S N 0.541 116.139 115.700 -0.171 0.000 2.442 183 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 183 S C 1.925 176.471 174.600 -0.090 0.000 1.007 183 S CA 0.583 58.717 58.200 -0.110 0.000 0.965 183 S CB -0.201 62.947 63.200 -0.087 0.000 0.773 183 S HN 0.299 nan 8.310 nan 0.000 0.504 184 K N 1.304 121.649 120.400 -0.091 0.000 2.026 184 K HA 0.022 4.342 4.320 -0.000 0.000 0.208 184 K C 1.888 178.448 176.600 -0.068 0.000 1.048 184 K CA 1.592 57.835 56.287 -0.074 0.000 0.929 184 K CB -0.527 31.931 32.500 -0.070 0.000 0.713 184 K HN 0.461 nan 8.250 nan 0.000 0.439 185 E N -0.062 120.092 120.200 -0.077 0.000 2.474 185 E HA 0.086 4.435 4.350 -0.000 0.000 0.195 185 E C -0.540 176.027 176.600 -0.054 0.000 1.039 185 E CA -0.087 56.275 56.400 -0.064 0.000 0.881 185 E CB 0.229 29.887 29.700 -0.070 0.000 0.970 185 E HN -0.070 nan 8.360 nan 0.000 0.486 186 L N 0.534 121.722 121.223 -0.058 0.000 2.312 186 L HA 0.194 4.534 4.340 -0.000 0.000 0.281 186 L C 1.129 177.973 176.870 -0.044 0.000 1.070 186 L CA 0.160 54.977 54.840 -0.039 0.000 0.805 186 L CB 1.503 43.545 42.059 -0.028 0.000 1.174 186 L HN 0.018 nan 8.230 nan 0.000 0.434 187 S N 1.800 117.479 115.700 -0.035 0.000 2.522 187 S HA 0.087 4.557 4.470 -0.000 0.000 0.227 187 S C 0.390 174.951 174.600 -0.065 0.000 0.986 187 S CA 0.283 58.457 58.200 -0.043 0.000 0.929 187 S CB -0.523 62.659 63.200 -0.029 0.000 0.769 187 S HN 0.429 nan 8.310 nan 0.000 0.529 188 V N -1.749 118.117 119.914 -0.079 0.000 2.960 188 V HA 0.743 4.862 4.120 -0.000 0.000 0.315 188 V C -2.963 173.016 176.094 -0.191 0.000 1.087 188 V CA -2.875 59.340 62.300 -0.142 0.000 0.982 188 V CB 1.454 33.206 31.823 -0.119 0.000 1.039 188 V HN -0.019 nan 8.190 nan 0.000 0.437 189 P HA 0.486 nan 4.420 nan 0.000 0.274 189 P C -0.757 176.388 177.300 -0.259 0.000 1.237 189 P CA -0.280 62.603 63.100 -0.361 0.000 0.793 189 P CB 1.059 32.359 31.700 -0.666 0.000 0.977 190 I N 1.580 122.070 120.570 -0.133 0.000 2.359 190 I HA 0.335 4.505 4.170 -0.000 0.000 0.294 190 I C 0.446 176.553 176.117 -0.016 0.000 0.987 190 I CA -0.787 60.490 61.300 -0.037 0.000 1.225 190 I CB 0.897 38.904 38.000 0.011 0.000 1.366 190 I HN 0.106 nan 8.210 nan 0.000 0.466 191 I N 6.467 127.066 120.570 0.048 0.000 2.377 191 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 191 I C -0.469 175.683 176.117 0.058 0.000 0.987 191 I CA -0.856 60.495 61.300 0.085 0.000 1.185 191 I CB 1.699 39.824 38.000 0.208 0.000 1.341 191 I HN 0.169 nan 8.210 nan 0.000 0.455 192 V N 6.780 126.700 119.914 0.011 0.000 2.394 192 V HA 0.395 4.514 4.120 -0.000 0.000 0.282 192 V C -0.038 176.157 176.094 0.169 0.000 1.031 192 V CA -0.610 61.743 62.300 0.087 0.000 0.881 192 V CB 1.296 33.177 31.823 0.096 0.000 0.982 192 V HN 0.789 nan 8.190 nan 0.000 0.451 193 K N 3.294 123.794 120.400 0.168 0.000 2.375 193 K HA 0.717 5.036 4.320 -0.000 0.000 0.249 193 K C -0.504 176.190 176.600 0.157 0.000 0.942 193 K CA -0.860 55.527 56.287 0.168 0.000 0.806 193 K CB 2.844 35.432 32.500 0.147 0.000 1.227 193 K HN 0.393 nan 8.250 nan 0.000 0.430 194 E N 0.618 120.895 120.200 0.129 0.000 3.601 194 E HA 0.230 4.580 4.350 -0.000 0.000 0.273 194 E C -0.493 176.139 176.600 0.054 0.000 1.368 194 E CA -0.113 56.349 56.400 0.102 0.000 1.286 194 E CB 1.145 30.898 29.700 0.088 0.000 1.383 194 E HN 0.751 nan 8.360 nan 0.000 0.746 195 S N -1.461 114.251 115.700 0.021 0.000 2.606 195 S HA 0.440 4.909 4.470 -0.000 0.000 0.156 195 S C 0.435 175.073 174.600 0.063 0.000 1.308 195 S CA 0.100 58.259 58.200 -0.069 0.000 1.228 195 S CB 0.154 63.164 63.200 -0.316 0.000 1.568 195 S HN 0.765 nan 8.310 nan 0.000 0.397 196 G N 1.997 110.878 108.800 0.135 0.000 2.176 196 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 196 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 196 G C 0.479 175.460 174.900 0.135 0.000 0.986 196 G CA 0.212 45.426 45.100 0.190 0.000 0.643 196 G HN 0.576 nan 8.290 nan 0.000 0.522 197 N N 0.666 119.435 118.700 0.115 0.000 2.159 197 N HA 0.396 5.135 4.740 -0.000 0.000 0.217 197 N C 0.979 176.513 175.510 0.040 0.000 1.223 197 N CA 0.977 54.093 53.050 0.111 0.000 0.896 197 N CB 1.574 40.192 38.487 0.219 0.000 1.064 197 N HN 1.564 nan 8.380 nan 0.000 0.518 198 G N 1.770 110.585 108.800 0.026 0.000 2.716 198 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 198 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 198 G C -0.789 174.118 174.900 0.012 0.000 1.337 198 G CA -0.758 44.334 45.100 -0.014 0.000 0.829 198 G HN 0.135 nan 8.290 nan 0.000 0.599 199 I N 1.739 122.311 120.570 0.003 0.000 2.336 199 I HA 0.465 4.634 4.170 -0.000 0.000 0.292 199 I C 1.091 177.204 176.117 -0.006 0.000 0.991 199 I CA -0.384 60.925 61.300 0.015 0.000 1.227 199 I CB 1.701 39.713 38.000 0.020 0.000 1.366 199 I HN 0.823 nan 8.210 nan 0.000 0.466 200 S N 6.062 121.776 115.700 0.023 0.000 2.707 200 S HA 0.345 4.814 4.470 -0.000 0.000 0.276 200 S C 1.114 175.726 174.600 0.021 0.000 1.179 200 S CA -0.859 57.370 58.200 0.048 0.000 0.992 200 S CB 1.323 64.566 63.200 0.072 0.000 1.030 200 S HN 0.816 nan 8.310 nan 0.000 0.554 201 M N -0.738 118.889 119.600 0.046 0.000 2.229 201 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 201 M C 1.236 177.557 176.300 0.035 0.000 1.063 201 M CA 1.645 56.963 55.300 0.031 0.000 1.114 201 M CB -0.920 31.724 32.600 0.073 0.000 1.387 201 M HN 0.644 nan 8.290 nan 0.000 0.420 202 E N 1.375 121.607 120.200 0.053 0.000 2.047 202 E HA -0.096 4.253 4.350 -0.000 0.000 0.191 202 E C 2.065 178.714 176.600 0.082 0.000 0.987 202 E CA 2.219 58.659 56.400 0.067 0.000 0.799 202 E CB -0.637 29.104 29.700 0.068 0.000 0.752 202 E HN 0.511 nan 8.360 nan 0.000 0.449 203 T N 0.414 115.014 114.554 0.076 0.000 2.708 203 T HA -0.169 4.180 4.350 -0.000 0.000 0.266 203 T C 1.922 176.691 174.700 0.114 0.000 1.037 203 T CA 1.435 63.595 62.100 0.099 0.000 1.146 203 T CB -0.403 68.520 68.868 0.091 0.000 0.865 203 T HN 0.287 nan 8.240 nan 0.000 0.435 204 A N 1.405 124.234 122.820 0.015 0.000 1.933 204 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 204 A C 2.248 179.873 177.584 0.067 0.000 1.175 204 A CA 1.634 53.601 52.037 -0.117 0.000 0.628 204 A CB -0.409 18.322 19.000 -0.449 0.000 0.814 204 A HN 0.447 nan 8.150 nan 0.000 0.444 205 K N -0.975 119.470 120.400 0.076 0.000 2.097 205 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 205 K C 1.893 178.644 176.600 0.253 0.000 1.050 205 K CA 1.208 57.585 56.287 0.151 0.000 0.938 205 K CB -0.303 32.254 32.500 0.095 0.000 0.718 205 K HN 0.383 nan 8.250 nan 0.000 0.442 206 L N 1.321 122.681 121.223 0.229 0.000 1.994 206 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 206 L C 1.838 178.939 176.870 0.385 0.000 1.071 206 L CA 1.619 56.629 54.840 0.284 0.000 0.745 206 L CB -0.312 41.880 42.059 0.222 0.000 0.892 206 L HN 0.131 nan 8.230 nan 0.000 0.431 207 L N -1.960 119.482 121.223 0.365 0.000 2.083 207 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 207 L C 2.472 179.596 176.870 0.423 0.000 1.083 207 L CA 1.416 56.492 54.840 0.393 0.000 0.752 207 L CB -0.766 41.571 42.059 0.464 0.000 0.899 207 L HN 0.357 nan 8.230 nan 0.000 0.433 208 Y N 0.803 121.312 120.300 0.347 0.000 2.242 208 Y HA -0.261 4.289 4.550 -0.000 0.000 0.291 208 Y C 2.888 178.886 175.900 0.163 0.000 1.137 208 Y CA 1.393 59.661 58.100 0.279 0.000 1.181 208 Y CB -0.192 38.430 38.460 0.270 0.000 0.989 208 Y HN 0.243 nan 8.280 nan 0.000 0.527 209 S N -1.368 114.459 115.700 0.211 0.000 2.474 209 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 209 S C 1.119 175.601 174.600 -0.197 0.000 0.997 209 S CA 0.987 59.185 58.200 -0.005 0.000 0.949 209 S CB -0.953 62.270 63.200 0.039 0.000 0.766 209 S HN 0.532 nan 8.310 nan 0.000 0.517 210 Y N 1.532 121.825 120.300 -0.012 0.000 2.524 210 Y HA 0.450 5.000 4.550 -0.000 0.000 0.266 210 Y C 1.754 177.603 175.900 -0.085 0.000 1.180 210 Y CA -0.232 57.844 58.100 -0.040 0.000 1.244 210 Y CB 0.235 38.689 38.460 -0.010 0.000 1.125 210 Y HN 0.409 nan 8.280 nan 0.000 0.524 211 G N 0.156 108.914 108.800 -0.069 0.000 2.141 211 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 211 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 211 G C -0.088 174.756 174.900 -0.092 0.000 0.984 211 G CA -0.296 44.718 45.100 -0.142 0.000 0.660 211 G HN 0.115 nan 8.290 nan 0.000 0.525 212 I N 0.326 120.885 120.570 -0.018 0.000 2.396 212 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 212 I C 1.077 177.166 176.117 -0.047 0.000 1.056 212 I CA 0.283 61.546 61.300 -0.062 0.000 1.365 212 I CB 1.349 39.308 38.000 -0.068 0.000 1.407 212 I HN 0.064 nan 8.210 nan 0.000 0.509 213 K N 3.617 123.956 120.400 -0.101 0.000 2.412 213 K HA 0.208 4.528 4.320 -0.000 0.000 0.202 213 K C -0.234 176.335 176.600 -0.053 0.000 1.102 213 K CA 0.166 56.505 56.287 0.088 0.000 1.027 213 K CB 0.514 33.105 32.500 0.152 0.000 0.931 213 K HN 0.489 nan 8.250 nan 0.000 0.557 214 N N 0.794 119.294 118.700 -0.333 0.000 2.443 214 N HA 0.295 5.035 4.740 -0.000 0.000 0.269 214 N C -1.207 174.071 175.510 -0.386 0.000 0.985 214 N CA -0.245 52.747 53.050 -0.097 0.000 0.921 214 N CB 1.182 39.806 38.487 0.229 0.000 1.195 214 N HN -0.136 nan 8.380 nan 0.000 0.492 215 F N -0.038 119.997 119.950 0.141 0.000 2.546 215 F HA 0.327 4.854 4.527 -0.000 0.000 0.320 215 F C 0.264 176.089 175.800 0.042 0.000 1.076 215 F CA -0.991 57.065 58.000 0.094 0.000 0.928 215 F CB 1.887 40.931 39.000 0.073 0.000 1.189 215 F HN 0.199 nan 8.300 nan 0.000 0.465 216 D N 0.310 120.859 120.400 0.247 0.000 2.549 216 D HA 0.191 4.831 4.640 -0.000 0.000 0.251 216 D C 0.802 177.182 176.300 0.133 0.000 1.153 216 D CA -0.395 53.694 54.000 0.149 0.000 0.861 216 D CB 1.641 42.527 40.800 0.144 0.000 1.207 216 D HN 0.609 nan 8.370 nan 0.000 0.543 217 T N 0.735 115.339 114.554 0.082 0.000 2.746 217 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 217 T C 1.171 175.896 174.700 0.042 0.000 1.039 217 T CA 1.015 63.143 62.100 0.047 0.000 1.142 217 T CB -0.521 68.345 68.868 -0.003 0.000 0.866 217 T HN 0.508 nan 8.240 nan 0.000 0.444 218 S N 1.409 117.136 115.700 0.046 0.000 3.336 218 S HA -0.053 4.416 4.470 -0.000 0.000 0.362 218 S C 0.565 175.182 174.600 0.029 0.000 0.941 218 S CA 0.200 58.430 58.200 0.049 0.000 1.297 218 S CB -1.659 61.581 63.200 0.066 0.000 0.915 218 S HN 1.139 nan 8.310 nan 0.000 0.527 219 G N 1.627 110.420 108.800 -0.012 0.000 2.580 219 G HA2 0.515 4.475 3.960 -0.000 0.000 0.278 219 G HA3 0.515 4.475 3.960 -0.000 0.000 0.278 219 G C -0.048 174.822 174.900 -0.050 0.000 1.212 219 G CA -0.337 44.725 45.100 -0.063 0.000 0.939 219 G HN 0.932 nan 8.290 nan 0.000 0.513 220 Q N -1.465 118.277 119.800 -0.097 0.000 2.454 220 Q HA 0.476 4.816 4.340 -0.000 0.000 0.247 220 Q C 0.808 176.756 176.000 -0.086 0.000 1.028 220 Q CA 0.207 55.967 55.803 -0.072 0.000 0.910 220 Q CB 0.972 29.655 28.738 -0.091 0.000 1.276 220 Q HN 1.480 nan 8.270 nan 0.000 0.489 221 G N 0.310 109.083 108.800 -0.045 0.000 2.229 221 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.189 221 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.189 221 G C 0.235 175.123 174.900 -0.020 0.000 1.000 221 G CA -0.245 44.834 45.100 -0.035 0.000 0.663 221 G HN 1.038 nan 8.290 nan 0.000 0.493 222 G N -0.289 108.503 108.800 -0.013 0.000 3.271 222 G HA2 0.513 4.473 3.960 -0.000 0.000 0.174 222 G HA3 0.513 4.473 3.960 -0.000 0.000 0.174 222 G C 0.253 175.133 174.900 -0.034 0.000 1.385 222 G CA 0.579 45.673 45.100 -0.010 0.000 0.979 222 G HN 0.673 nan 8.290 nan 0.000 0.610 223 T N 1.826 116.360 114.554 -0.034 0.000 2.871 223 T HA 0.090 4.440 4.350 -0.000 0.000 0.296 223 T C 0.163 174.774 174.700 -0.148 0.000 0.998 223 T CA 0.207 62.225 62.100 -0.137 0.000 1.162 223 T CB 0.162 68.956 68.868 -0.123 0.000 0.947 223 T HN 0.371 nan 8.240 nan 0.000 0.536 224 N N 2.200 120.754 118.700 -0.244 0.000 2.500 224 N HA 0.120 4.860 4.740 -0.000 0.000 0.236 224 N C 0.153 175.490 175.510 -0.287 0.000 1.022 224 N CA -0.533 52.422 53.050 -0.159 0.000 0.935 224 N CB 0.454 38.877 38.487 -0.105 0.000 1.147 224 N HN 0.683 nan 8.380 nan 0.000 0.512 225 W N 3.334 124.607 121.300 -0.045 0.000 2.436 225 W HA 0.123 4.783 4.660 -0.000 0.000 0.284 225 W C 1.908 178.400 176.519 -0.046 0.000 1.225 225 W CA 0.143 57.449 57.345 -0.065 0.000 1.271 225 W CB 0.005 29.422 29.460 -0.071 0.000 1.114 225 W HN 0.548 nan 8.180 nan 0.000 0.559 226 I N 0.091 120.743 120.570 0.137 0.000 2.226 226 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 226 I C 2.556 178.613 176.117 -0.099 0.000 1.100 226 I CA 1.436 62.729 61.300 -0.011 0.000 1.374 226 I CB -1.028 36.927 38.000 -0.075 0.000 1.057 226 I HN -0.048 nan 8.210 nan 0.000 0.413 227 A N 1.051 123.808 122.820 -0.105 0.000 1.933 227 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 227 A C 2.305 179.808 177.584 -0.135 0.000 1.175 227 A CA 1.429 53.390 52.037 -0.127 0.000 0.628 227 A CB -0.746 18.175 19.000 -0.131 0.000 0.814 227 A HN 0.374 nan 8.150 nan 0.000 0.444 228 I N -0.404 120.049 120.570 -0.195 0.000 2.179 228 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 228 I C 2.433 178.533 176.117 -0.028 0.000 1.088 228 I CA 1.255 62.435 61.300 -0.199 0.000 1.357 228 I CB -0.295 37.410 38.000 -0.493 0.000 1.051 228 I HN 0.280 nan 8.210 nan 0.000 0.409 229 E N 0.327 120.556 120.200 0.047 0.000 2.106 229 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 229 E C 2.058 178.675 176.600 0.028 0.000 0.984 229 E CA 1.143 57.603 56.400 0.100 0.000 0.806 229 E CB -0.413 29.388 29.700 0.169 0.000 0.750 229 E HN 0.508 nan 8.360 nan 0.000 0.458 230 M N 0.446 120.023 119.600 -0.039 0.000 2.082 230 M HA -0.206 4.274 4.480 -0.000 0.000 0.258 230 M C 2.174 178.456 176.300 -0.031 0.000 1.069 230 M CA 1.566 56.829 55.300 -0.062 0.000 1.102 230 M CB -0.156 32.381 32.600 -0.106 0.000 1.336 230 M HN 0.028 nan 8.290 nan 0.000 0.404 231 I N -0.119 120.433 120.570 -0.030 0.000 2.226 231 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 231 I C 2.488 178.608 176.117 0.005 0.000 1.100 231 I CA 1.393 62.683 61.300 -0.017 0.000 1.374 231 I CB -0.390 37.593 38.000 -0.028 0.000 1.057 231 I HN 0.345 nan 8.210 nan 0.000 0.413 232 R N 0.424 120.938 120.500 0.024 0.000 2.096 232 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 232 R C 1.862 178.175 176.300 0.021 0.000 1.127 232 R CA 1.451 57.574 56.100 0.038 0.000 0.968 232 R CB -0.312 30.033 30.300 0.076 0.000 0.861 232 R HN 0.377 nan 8.270 nan 0.000 0.440 233 D N 0.697 121.102 120.400 0.009 0.000 2.097 233 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 233 D C 1.949 178.249 176.300 0.000 0.000 0.984 233 D CA 1.033 55.027 54.000 -0.010 0.000 0.826 233 D CB -0.184 40.594 40.800 -0.036 0.000 0.973 233 D HN 0.153 nan 8.370 nan 0.000 0.460 234 I N 0.710 121.281 120.570 0.002 0.000 2.151 234 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 234 I C 2.557 178.684 176.117 0.017 0.000 1.080 234 I CA 1.174 62.481 61.300 0.012 0.000 1.339 234 I CB -0.132 37.871 38.000 0.006 0.000 1.039 234 I HN -0.093 nan 8.210 nan 0.000 0.409 235 R N 0.724 121.233 120.500 0.015 0.000 2.103 235 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 235 R C 1.680 177.992 176.300 0.020 0.000 1.142 235 R CA 1.515 57.625 56.100 0.017 0.000 0.960 235 R CB -0.211 30.100 30.300 0.018 0.000 0.858 235 R HN 0.431 nan 8.270 nan 0.000 0.439 236 R N -0.707 119.806 120.500 0.021 0.000 2.831 236 R HA 0.211 4.551 4.340 -0.000 0.000 0.337 236 R C 0.416 176.737 176.300 0.036 0.000 1.200 236 R CA 0.552 56.667 56.100 0.025 0.000 1.088 236 R CB 0.260 30.573 30.300 0.022 0.000 1.397 236 R HN 0.246 nan 8.270 nan 0.000 0.581 237 G N 1.468 110.292 108.800 0.040 0.000 2.219 237 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.271 237 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.271 237 G C 0.072 175.024 174.900 0.086 0.000 0.991 237 G CA 0.688 45.824 45.100 0.060 0.000 0.685 237 G HN 0.622 nan 8.290 nan 0.000 0.531 238 N N 0.803 119.534 118.700 0.052 0.000 2.454 238 N HA 0.032 4.772 4.740 -0.000 0.000 0.260 238 N C 1.743 177.257 175.510 0.005 0.000 1.218 238 N CA 0.135 53.196 53.050 0.019 0.000 0.904 238 N CB 0.035 38.475 38.487 -0.077 0.000 1.065 238 N HN 0.488 nan 8.380 nan 0.000 0.462 239 W N 4.302 125.624 121.300 0.036 0.000 2.525 239 W HA 0.002 4.662 4.660 0.001 0.000 0.259 239 W C 0.862 177.416 176.519 0.058 0.000 1.253 239 W CA -0.081 57.288 57.345 0.040 0.000 1.262 239 W CB -0.535 28.945 29.460 0.032 0.000 1.122 239 W HN 0.495 nan 8.180 nan 0.000 0.607 240 K N 1.242 121.201 120.400 -0.735 0.000 2.286 240 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 240 K C 2.511 179.043 176.600 -0.114 0.000 1.045 240 K CA 1.942 57.916 56.287 -0.521 0.000 0.935 240 K CB -0.413 31.775 32.500 -0.520 0.000 0.737 240 K HN 0.147 nan 8.250 nan 0.000 0.460 241 A N 1.531 124.309 122.820 -0.069 0.000 1.892 241 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 241 A C 1.857 179.443 177.584 0.003 0.000 1.188 241 A CA 1.974 53.997 52.037 -0.023 0.000 0.631 241 A CB -0.448 18.552 19.000 -0.000 0.000 0.822 241 A HN 0.386 nan 8.150 nan 0.000 0.447 242 E N -0.368 119.867 120.200 0.058 0.000 2.152 242 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 242 E C 2.260 178.918 176.600 0.098 0.000 0.983 242 E CA 1.008 57.455 56.400 0.077 0.000 0.818 242 E CB -0.134 29.633 29.700 0.111 0.000 0.758 242 E HN 0.555 nan 8.360 nan 0.000 0.467 243 S N 0.942 116.726 115.700 0.140 0.000 2.356 243 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 243 S C 2.183 176.885 174.600 0.169 0.000 1.032 243 S CA 1.015 59.354 58.200 0.231 0.000 1.005 243 S CB -0.280 63.088 63.200 0.281 0.000 0.867 243 S HN 0.414 nan 8.310 nan 0.000 0.449 244 A N 1.678 124.416 122.820 -0.136 0.000 1.908 244 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 244 A C 2.004 179.431 177.584 -0.262 0.000 1.181 244 A CA 2.046 53.678 52.037 -0.676 0.000 0.627 244 A CB -0.616 18.032 19.000 -0.587 0.000 0.818 244 A HN 0.495 nan 8.150 nan 0.000 0.445 245 K N -0.150 120.193 120.400 -0.095 0.000 2.113 245 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 245 K C 1.569 178.169 176.600 0.000 0.000 1.047 245 K CA 1.940 58.204 56.287 -0.038 0.000 0.928 245 K CB -0.311 32.183 32.500 -0.009 0.000 0.716 245 K HN 0.654 nan 8.250 nan 0.000 0.446 246 N N -0.972 117.761 118.700 0.055 0.000 2.453 246 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 246 N C 0.479 175.931 175.510 -0.096 0.000 1.041 246 N CA 0.648 53.703 53.050 0.009 0.000 0.900 246 N CB 0.097 38.601 38.487 0.028 0.000 0.961 246 N HN 0.100 nan 8.380 nan 0.000 0.443 247 F N 0.050 119.953 119.950 -0.079 0.000 2.653 247 F HA 0.307 4.834 4.527 -0.000 0.000 0.304 247 F C 1.303 177.111 175.800 0.014 0.000 1.092 247 F CA -0.224 57.765 58.000 -0.017 0.000 1.279 247 F CB 0.088 38.984 39.000 -0.174 0.000 1.044 247 F HN -0.023 nan 8.300 nan 0.000 0.564 248 L N 0.465 121.735 121.223 0.079 0.000 2.129 248 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 248 L C 1.527 178.448 176.870 0.086 0.000 1.087 248 L CA 1.557 56.423 54.840 0.044 0.000 0.757 248 L CB -0.364 41.694 42.059 -0.003 0.000 0.896 248 L HN 0.220 nan 8.230 nan 0.000 0.434 249 D N -2.118 118.344 120.400 0.102 0.000 2.491 249 D HA -0.092 4.548 4.640 -0.000 0.000 0.228 249 D C 0.203 176.583 176.300 0.133 0.000 1.183 249 D CA -0.441 53.610 54.000 0.085 0.000 0.827 249 D CB -0.327 40.501 40.800 0.047 0.000 0.989 249 D HN 0.171 nan 8.370 nan 0.000 0.494 250 W N 1.630 122.961 121.300 0.052 0.000 2.238 250 W HA 0.426 5.086 4.660 0.000 0.000 0.321 250 W C 0.154 176.724 176.519 0.084 0.000 1.293 250 W CA 1.287 58.697 57.345 0.108 0.000 1.204 250 W CB 1.109 30.741 29.460 0.287 0.000 1.167 250 W HN 0.250 nan 8.180 nan 0.000 0.553 251 G N 2.434 110.938 108.800 -0.492 0.000 2.340 251 G HA2 0.024 3.984 3.960 -0.000 0.000 0.527 251 G HA3 0.024 3.984 3.960 -0.000 0.000 0.527 251 G C -2.160 172.579 174.900 -0.269 0.000 1.381 251 G CA -1.115 43.819 45.100 -0.277 0.000 1.001 251 G HN 0.515 nan 8.290 nan 0.000 0.626 252 V N 2.249 122.034 119.914 -0.215 0.000 2.432 252 V HA 0.410 4.530 4.120 -0.000 0.000 0.271 252 V C -1.659 174.152 176.094 -0.471 0.000 1.046 252 V CA -1.074 61.018 62.300 -0.346 0.000 0.945 252 V CB 1.362 33.070 31.823 -0.191 0.000 0.992 252 V HN 0.581 nan 8.190 nan 0.000 0.471 253 P HA 0.062 nan 4.420 nan 0.000 0.266 253 P C 1.204 178.199 177.300 -0.508 0.000 1.195 253 P CA 0.320 62.984 63.100 -0.727 0.000 0.768 253 P CB 0.478 31.339 31.700 -1.399 0.000 0.838 254 T N 2.337 116.714 114.554 -0.295 0.000 2.624 254 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 254 T C 1.755 176.341 174.700 -0.189 0.000 1.041 254 T CA 2.377 64.368 62.100 -0.182 0.000 1.159 254 T CB -0.775 68.036 68.868 -0.095 0.000 0.863 254 T HN 0.494 nan 8.240 nan 0.000 0.434 255 A N 1.246 123.957 122.820 -0.181 0.000 1.908 255 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 255 A C 2.644 180.102 177.584 -0.210 0.000 1.181 255 A CA 2.001 53.961 52.037 -0.127 0.000 0.627 255 A CB -1.096 17.882 19.000 -0.036 0.000 0.818 255 A HN 0.547 nan 8.150 nan 0.000 0.445 256 A N -1.064 121.509 122.820 -0.413 0.000 1.898 256 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 256 A C 2.472 179.848 177.584 -0.347 0.000 1.181 256 A CA 2.075 53.767 52.037 -0.575 0.000 0.620 256 A CB -0.915 17.238 19.000 -1.410 0.000 0.819 256 A HN 0.520 nan 8.150 nan 0.000 0.442 257 S N -0.416 115.101 115.700 -0.306 0.000 2.368 257 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 257 S C 1.902 176.446 174.600 -0.093 0.000 1.030 257 S CA 1.350 59.453 58.200 -0.162 0.000 0.999 257 S CB -0.544 62.573 63.200 -0.139 0.000 0.844 257 S HN 0.483 nan 8.310 nan 0.000 0.459 258 I N 1.366 121.887 120.570 -0.082 0.000 2.118 258 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 258 I C 2.580 178.719 176.117 0.036 0.000 1.070 258 I CA 1.752 63.040 61.300 -0.020 0.000 1.327 258 I CB -0.390 37.606 38.000 -0.006 0.000 1.034 258 I HN 0.383 nan 8.210 nan 0.000 0.405 259 M N -0.253 119.342 119.600 -0.008 0.000 2.108 259 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 259 M C 2.249 178.579 176.300 0.050 0.000 1.066 259 M CA 1.788 57.070 55.300 -0.030 0.000 1.107 259 M CB -0.582 31.811 32.600 -0.345 0.000 1.356 259 M HN 0.226 nan 8.290 nan 0.000 0.406 260 E N -0.068 120.134 120.200 0.004 0.000 2.051 260 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 260 E C 2.138 178.772 176.600 0.056 0.000 0.991 260 E CA 1.485 57.918 56.400 0.055 0.000 0.799 260 E CB -0.222 29.513 29.700 0.058 0.000 0.748 260 E HN 0.335 nan 8.360 nan 0.000 0.449 261 V N 1.247 121.147 119.914 -0.024 0.000 2.270 261 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 261 V C 2.473 178.538 176.094 -0.048 0.000 1.043 261 V CA 1.994 64.214 62.300 -0.133 0.000 1.014 261 V CB -0.524 31.165 31.823 -0.222 0.000 0.645 261 V HN 0.136 nan 8.190 nan 0.000 0.447 262 R N -0.706 119.828 120.500 0.057 0.000 2.117 262 R HA -0.241 4.099 4.340 -0.000 0.000 0.243 262 R C 2.230 178.616 176.300 0.143 0.000 1.143 262 R CA 2.064 58.224 56.100 0.098 0.000 0.968 262 R CB -0.698 29.695 30.300 0.155 0.000 0.863 262 R HN 0.602 nan 8.270 nan 0.000 0.444 263 Y N 0.213 120.584 120.300 0.119 0.000 2.184 263 Y HA -0.107 4.442 4.550 -0.000 0.000 0.290 263 Y C 2.402 178.310 175.900 0.013 0.000 1.129 263 Y CA 1.888 60.062 58.100 0.123 0.000 1.144 263 Y CB -0.197 38.369 38.460 0.176 0.000 0.995 263 Y HN 0.280 nan 8.280 nan 0.000 0.513 264 S N -1.021 114.717 115.700 0.064 0.000 2.458 264 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 264 S C 0.598 175.085 174.600 -0.187 0.000 1.019 264 S CA 0.348 58.511 58.200 -0.062 0.000 0.937 264 S CB -0.115 63.089 63.200 0.007 0.000 0.788 264 S HN 0.187 nan 8.310 nan 0.000 0.511 265 V N 1.734 121.530 119.914 -0.198 0.000 2.380 265 V HA 0.507 4.627 4.120 -0.000 0.000 0.268 265 V C -2.563 173.440 176.094 -0.153 0.000 1.008 265 V CA -2.037 60.091 62.300 -0.286 0.000 0.823 265 V CB 1.554 33.131 31.823 -0.410 0.000 1.053 265 V HN -0.032 nan 8.190 nan 0.000 0.446 266 P HA -0.107 nan 4.420 nan 0.000 0.216 266 P C 0.938 178.219 177.300 -0.031 0.000 1.150 266 P CA 1.694 64.741 63.100 -0.087 0.000 0.837 266 P CB 0.131 31.763 31.700 -0.113 0.000 0.786 267 D N -0.951 119.441 120.400 -0.012 0.000 2.340 267 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 267 D C 0.265 176.645 176.300 0.133 0.000 1.039 267 D CA 0.122 54.157 54.000 0.058 0.000 0.866 267 D CB -0.796 40.051 40.800 0.079 0.000 0.913 267 D HN 0.158 nan 8.370 nan 0.000 0.523 268 S N 0.144 115.936 115.700 0.153 0.000 2.566 268 S HA 0.090 4.560 4.470 -0.000 0.000 0.280 268 S C -0.133 174.621 174.600 0.256 0.000 1.343 268 S CA -0.839 57.533 58.200 0.286 0.000 1.036 268 S CB 0.302 63.720 63.200 0.363 0.000 0.866 268 S HN 0.226 nan 8.310 nan 0.000 0.526 269 F N 2.747 122.770 119.950 0.122 0.000 2.405 269 F HA 0.656 5.183 4.527 -0.000 0.000 0.355 269 F C -0.806 175.043 175.800 0.081 0.000 1.121 269 F CA -1.401 56.609 58.000 0.017 0.000 1.112 269 F CB 1.028 39.959 39.000 -0.116 0.000 1.126 269 F HN 0.592 nan 8.300 nan 0.000 0.481 270 L N 7.903 128.782 121.223 -0.573 0.000 2.376 270 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 270 L C -1.502 175.090 176.870 -0.463 0.000 0.987 270 L CA -0.795 53.861 54.840 -0.307 0.000 0.828 270 L CB 1.662 43.661 42.059 -0.100 0.000 1.249 270 L HN 0.413 nan 8.230 nan 0.000 0.409 271 V N 4.233 123.982 119.914 -0.275 0.000 2.407 271 V HA 0.641 4.761 4.120 -0.000 0.000 0.278 271 V C 0.811 176.879 176.094 -0.044 0.000 1.037 271 V CA -0.364 61.849 62.300 -0.146 0.000 0.900 271 V CB 1.194 33.006 31.823 -0.018 0.000 0.983 271 V HN 0.913 nan 8.190 nan 0.000 0.459 272 G N 3.467 112.245 108.800 -0.036 0.000 2.356 272 G HA2 0.586 4.546 3.960 -0.000 0.000 0.312 272 G HA3 0.586 4.546 3.960 -0.000 0.000 0.312 272 G C -0.072 174.836 174.900 0.013 0.000 1.096 272 G CA 0.093 45.187 45.100 -0.011 0.000 0.950 272 G HN 0.934 nan 8.290 nan 0.000 0.428 273 S N 0.818 116.531 115.700 0.022 0.000 2.671 273 S HA 0.882 5.352 4.470 -0.000 0.000 0.277 273 S C -0.118 174.499 174.600 0.029 0.000 1.165 273 S CA -0.316 57.907 58.200 0.038 0.000 0.822 273 S CB 1.813 65.050 63.200 0.063 0.000 1.150 273 S HN 2.284 nan 8.310 nan 0.000 0.479 274 G N -0.703 108.121 108.800 0.040 0.000 2.826 274 G HA2 0.458 4.417 3.960 -0.000 0.000 0.623 274 G HA3 0.458 4.417 3.960 -0.000 0.000 0.623 274 G C 0.934 175.843 174.900 0.016 0.000 1.127 274 G CA 0.272 45.391 45.100 0.032 0.000 1.165 274 G HN 2.527 nan 8.290 nan 0.000 0.504 275 G N 0.195 109.010 108.800 0.025 0.000 2.136 275 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.242 275 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.242 275 G C 0.481 175.398 174.900 0.030 0.000 0.989 275 G CA 0.208 45.318 45.100 0.018 0.000 0.682 275 G HN 1.596 nan 8.290 nan 0.000 0.522 276 I N 0.711 121.307 120.570 0.044 0.000 2.578 276 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 276 I C 1.281 177.451 176.117 0.089 0.000 1.126 276 I CA 0.386 61.721 61.300 0.059 0.000 1.380 276 I CB 0.732 38.771 38.000 0.066 0.000 1.408 276 I HN 0.077 nan 8.210 nan 0.000 0.532 277 R N 3.277 123.826 120.500 0.081 0.000 2.469 277 R HA 0.179 4.519 4.340 -0.000 0.000 0.250 277 R C 0.397 176.764 176.300 0.112 0.000 0.909 277 R CA 0.136 56.303 56.100 0.112 0.000 1.050 277 R CB 0.442 30.786 30.300 0.073 0.000 1.256 277 R HN 0.739 nan 8.270 nan 0.000 0.550 278 S N -2.635 113.100 115.700 0.059 0.000 2.685 278 S HA 0.527 4.997 4.470 -0.000 0.000 0.282 278 S C 0.978 175.572 174.600 -0.009 0.000 1.159 278 S CA -0.259 57.949 58.200 0.014 0.000 0.833 278 S CB 1.568 64.777 63.200 0.014 0.000 1.151 278 S HN 0.007 nan 8.310 nan 0.000 0.485 279 G N -0.040 108.737 108.800 -0.038 0.000 2.448 279 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.218 279 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.218 279 G C 1.115 175.995 174.900 -0.034 0.000 1.135 279 G CA 0.768 45.843 45.100 -0.042 0.000 0.784 279 G HN 0.618 nan 8.290 nan 0.000 0.543 280 L N 1.082 122.288 121.223 -0.028 0.000 2.017 280 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 280 L C 2.057 178.923 176.870 -0.007 0.000 1.073 280 L CA 2.011 56.839 54.840 -0.021 0.000 0.745 280 L CB -0.571 41.478 42.059 -0.016 0.000 0.894 280 L HN 0.056 nan 8.230 nan 0.000 0.432 281 D N -0.036 120.366 120.400 0.003 0.000 2.123 281 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 281 D C 2.191 178.497 176.300 0.009 0.000 0.992 281 D CA 1.620 55.627 54.000 0.011 0.000 0.833 281 D CB -0.225 40.588 40.800 0.023 0.000 0.954 281 D HN 0.502 nan 8.370 nan 0.000 0.455 282 A N 0.976 123.801 122.820 0.008 0.000 1.902 282 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 282 A C 2.317 179.900 177.584 -0.002 0.000 1.181 282 A CA 2.301 54.343 52.037 0.008 0.000 0.623 282 A CB -0.685 18.319 19.000 0.007 0.000 0.818 282 A HN 0.246 nan 8.150 nan 0.000 0.443 283 A N -0.280 122.534 122.820 -0.011 0.000 1.930 283 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 283 A C 2.107 179.688 177.584 -0.005 0.000 1.175 283 A CA 1.702 53.730 52.037 -0.015 0.000 0.627 283 A CB -0.373 18.612 19.000 -0.025 0.000 0.815 283 A HN 0.550 nan 8.150 nan 0.000 0.443 284 K N -0.232 120.168 120.400 0.000 0.000 2.025 284 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 284 K C 2.348 178.954 176.600 0.011 0.000 1.049 284 K CA 1.091 57.383 56.287 0.008 0.000 0.933 284 K CB -0.346 32.159 32.500 0.009 0.000 0.714 284 K HN 0.416 nan 8.250 nan 0.000 0.438 285 A N 1.524 124.348 122.820 0.007 0.000 1.908 285 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 285 A C 2.150 179.736 177.584 0.003 0.000 1.181 285 A CA 1.440 53.480 52.037 0.005 0.000 0.627 285 A CB -0.616 18.384 19.000 0.001 0.000 0.818 285 A HN 0.178 nan 8.150 nan 0.000 0.445 286 I N -0.372 120.197 120.570 -0.002 0.000 2.202 286 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 286 I C 2.982 179.098 176.117 -0.002 0.000 1.091 286 I CA 1.032 62.327 61.300 -0.008 0.000 1.368 286 I CB -0.357 37.636 38.000 -0.011 0.000 1.058 286 I HN 0.332 nan 8.210 nan 0.000 0.410 287 A N 0.683 123.505 122.820 0.004 0.000 1.908 287 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 287 A C 2.375 179.977 177.584 0.030 0.000 1.181 287 A CA 1.495 53.538 52.037 0.010 0.000 0.627 287 A CB -0.972 18.035 19.000 0.012 0.000 0.818 287 A HN 0.417 nan 8.150 nan 0.000 0.445 288 L N -2.178 119.075 121.223 0.050 0.000 2.127 288 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 288 L C 1.880 178.834 176.870 0.140 0.000 1.089 288 L CA 1.581 56.486 54.840 0.109 0.000 0.757 288 L CB -0.121 41.988 42.059 0.083 0.000 0.899 288 L HN 0.651 nan 8.230 nan 0.000 0.434 289 G N -2.575 106.260 108.800 0.059 0.000 3.658 289 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.220 289 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.220 289 G C 0.224 175.122 174.900 -0.004 0.000 0.917 289 G CA -0.019 45.099 45.100 0.030 0.000 0.865 289 G HN 0.429 nan 8.290 nan 0.000 0.652 290 A N 0.441 123.252 122.820 -0.015 0.000 2.366 290 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 290 A C 0.964 178.495 177.584 -0.088 0.000 1.084 290 A CA 0.728 52.727 52.037 -0.063 0.000 0.794 290 A CB 0.429 19.397 19.000 -0.054 0.000 1.034 290 A HN 0.083 nan 8.150 nan 0.000 0.491 291 D N -0.577 119.714 120.400 -0.181 0.000 2.262 291 D HA 0.142 4.782 4.640 -0.000 0.000 0.212 291 D C 0.619 176.862 176.300 -0.096 0.000 0.964 291 D CA 1.471 55.378 54.000 -0.154 0.000 0.875 291 D CB 0.150 40.788 40.800 -0.270 0.000 0.996 291 D HN 0.659 nan 8.370 nan 0.000 0.497 292 I N -2.681 117.802 120.570 -0.145 0.000 2.969 292 I HA 0.659 4.829 4.170 -0.000 0.000 0.307 292 I C -1.278 174.829 176.117 -0.016 0.000 1.149 292 I CA -1.377 59.911 61.300 -0.020 0.000 1.008 292 I CB 2.459 40.519 38.000 0.100 0.000 1.232 292 I HN -0.269 nan 8.210 nan 0.000 0.435 293 A N 2.493 125.326 122.820 0.021 0.000 2.309 293 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 293 A C 0.116 177.738 177.584 0.064 0.000 1.165 293 A CA -0.138 51.918 52.037 0.032 0.000 0.821 293 A CB 0.636 19.655 19.000 0.032 0.000 1.102 293 A HN 1.122 nan 8.150 nan 0.000 0.500 294 G N 0.961 109.803 108.800 0.070 0.000 2.420 294 G HA2 0.602 4.562 3.960 -0.000 0.000 0.331 294 G HA3 0.602 4.562 3.960 -0.000 0.000 0.331 294 G C -0.665 174.298 174.900 0.106 0.000 1.168 294 G CA -0.612 44.546 45.100 0.098 0.000 0.936 294 G HN 0.646 nan 8.290 nan 0.000 0.479 295 M N 1.040 120.720 119.600 0.132 0.000 2.446 295 M HA 0.572 5.052 4.480 -0.000 0.000 0.294 295 M C 0.392 176.761 176.300 0.114 0.000 1.158 295 M CA -0.818 54.564 55.300 0.137 0.000 0.899 295 M CB 2.620 35.347 32.600 0.211 0.000 1.687 295 M HN 0.636 nan 8.290 nan 0.000 0.455 296 A N 1.710 124.575 122.820 0.074 0.000 1.878 296 A HA 0.367 4.687 4.320 -0.000 0.000 0.188 296 A C 1.359 178.931 177.584 -0.021 0.000 2.104 296 A CA -0.140 51.926 52.037 0.048 0.000 1.140 296 A CB -0.432 18.616 19.000 0.080 0.000 1.057 296 A HN 0.820 nan 8.150 nan 0.000 0.646 297 L N 0.875 122.081 121.223 -0.027 0.000 1.997 297 L HA -0.125 4.215 4.340 -0.000 0.000 0.216 297 L C -0.574 176.186 176.870 -0.184 0.000 1.074 297 L CA 2.606 57.389 54.840 -0.096 0.000 0.763 297 L CB -0.939 41.063 42.059 -0.095 0.000 0.890 297 L HN 0.314 nan 8.230 nan 0.000 0.434 298 P HA -0.082 nan 4.420 nan 0.000 0.223 298 P C 1.855 178.704 177.300 -0.750 0.000 1.151 298 P CA 0.967 63.818 63.100 -0.415 0.000 0.787 298 P CB 0.091 31.604 31.700 -0.311 0.000 0.788 299 V N 0.812 120.388 119.914 -0.564 0.000 2.358 299 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 299 V C 2.702 178.583 176.094 -0.355 0.000 1.047 299 V CA 1.313 63.298 62.300 -0.525 0.000 1.035 299 V CB -1.163 30.544 31.823 -0.193 0.000 0.658 299 V HN 0.060 nan 8.190 nan 0.000 0.452 300 L N -0.126 120.953 121.223 -0.240 0.000 1.989 300 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 300 L C 2.690 179.422 176.870 -0.230 0.000 1.071 300 L CA 2.151 56.877 54.840 -0.191 0.000 0.749 300 L CB -0.425 41.539 42.059 -0.159 0.000 0.890 300 L HN 0.349 nan 8.230 nan 0.000 0.431 301 K N -0.745 119.491 120.400 -0.273 0.000 2.032 301 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 301 K C 2.116 178.584 176.600 -0.220 0.000 1.048 301 K CA 1.783 57.923 56.287 -0.245 0.000 0.927 301 K CB -0.151 32.208 32.500 -0.234 0.000 0.712 301 K HN 0.270 nan 8.250 nan 0.000 0.441 302 S N 0.821 116.327 115.700 -0.322 0.000 2.356 302 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 302 S C 2.146 176.639 174.600 -0.179 0.000 1.032 302 S CA 1.263 59.299 58.200 -0.273 0.000 1.005 302 S CB -0.276 62.663 63.200 -0.435 0.000 0.867 302 S HN 0.451 nan 8.310 nan 0.000 0.449 303 A N 1.234 123.939 122.820 -0.192 0.000 1.940 303 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 303 A C 2.059 179.603 177.584 -0.067 0.000 1.176 303 A CA 1.299 53.270 52.037 -0.110 0.000 0.631 303 A CB -0.732 18.209 19.000 -0.099 0.000 0.814 303 A HN 0.501 nan 8.150 nan 0.000 0.446 304 I N -0.609 119.916 120.570 -0.075 0.000 2.315 304 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 304 I C 2.357 178.476 176.117 0.004 0.000 1.117 304 I CA 1.439 62.725 61.300 -0.024 0.000 1.404 304 I CB -0.290 37.697 38.000 -0.022 0.000 1.071 304 I HN 0.420 nan 8.210 nan 0.000 0.419 305 E N 0.561 120.753 120.200 -0.014 0.000 2.274 305 E HA 0.085 4.435 4.350 -0.000 0.000 0.194 305 E C 0.794 177.393 176.600 -0.002 0.000 0.996 305 E CA 0.556 56.955 56.400 -0.002 0.000 0.840 305 E CB 0.098 29.791 29.700 -0.013 0.000 0.772 305 E HN 0.564 nan 8.360 nan 0.000 0.491 306 G N 0.461 109.255 108.800 -0.010 0.000 2.362 306 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.656 306 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.656 306 G C -0.090 174.815 174.900 0.009 0.000 1.376 306 G CA -0.222 44.880 45.100 0.003 0.000 0.971 306 G HN -0.006 nan 8.290 nan 0.000 0.636 307 K N 0.100 120.517 120.400 0.028 0.000 2.034 307 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 307 K C 2.503 179.147 176.600 0.073 0.000 1.051 307 K CA 2.587 58.907 56.287 0.055 0.000 0.931 307 K CB -0.118 32.418 32.500 0.061 0.000 0.715 307 K HN 0.620 nan 8.250 nan 0.000 0.446 308 E N 0.182 120.420 120.200 0.063 0.000 2.106 308 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 308 E C 2.021 178.661 176.600 0.067 0.000 0.984 308 E CA 1.328 57.773 56.400 0.075 0.000 0.806 308 E CB -0.567 29.168 29.700 0.058 0.000 0.750 308 E HN 0.244 nan 8.360 nan 0.000 0.458 309 S N 0.821 116.544 115.700 0.038 0.000 2.359 309 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 309 S C 1.977 176.584 174.600 0.011 0.000 1.035 309 S CA 1.102 59.315 58.200 0.022 0.000 1.018 309 S CB -0.277 62.922 63.200 -0.003 0.000 0.876 309 S HN 0.262 nan 8.310 nan 0.000 0.448 310 L N 1.788 122.998 121.223 -0.022 0.000 2.093 310 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 310 L C 2.188 179.031 176.870 -0.045 0.000 1.085 310 L CA 1.919 56.697 54.840 -0.104 0.000 0.755 310 L CB -0.846 41.139 42.059 -0.123 0.000 0.904 310 L HN 0.369 nan 8.230 nan 0.000 0.435 311 E N -1.010 119.265 120.200 0.125 0.000 2.051 311 E HA -0.303 4.047 4.350 -0.000 0.000 0.192 311 E C 2.109 178.809 176.600 0.167 0.000 0.991 311 E CA 1.273 57.837 56.400 0.275 0.000 0.799 311 E CB -0.164 29.754 29.700 0.364 0.000 0.748 311 E HN 0.438 nan 8.360 nan 0.000 0.449 312 Q N 0.536 120.408 119.800 0.120 0.000 2.084 312 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 312 Q C 1.765 177.791 176.000 0.042 0.000 0.978 312 Q CA 1.404 57.258 55.803 0.085 0.000 0.844 312 Q CB -0.467 28.313 28.738 0.070 0.000 0.898 312 Q HN 0.354 nan 8.270 nan 0.000 0.426 313 F N -0.704 119.173 119.950 -0.123 0.000 2.095 313 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 313 F C 1.643 177.350 175.800 -0.156 0.000 1.104 313 F CA 1.606 59.494 58.000 -0.187 0.000 1.232 313 F CB -0.307 38.488 39.000 -0.342 0.000 0.987 313 F HN 0.152 nan 8.300 nan 0.000 0.475 314 F N -0.001 119.762 119.950 -0.312 0.000 2.259 314 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 314 F C 2.589 178.086 175.800 -0.505 0.000 1.088 314 F CA 0.558 58.207 58.000 -0.585 0.000 1.358 314 F CB -0.312 38.107 39.000 -0.968 0.000 1.040 314 F HN -0.195 nan 8.300 nan 0.000 0.505 315 R N 0.558 120.990 120.500 -0.114 0.000 2.081 315 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 315 R C 2.243 178.572 176.300 0.049 0.000 1.131 315 R CA 1.571 57.709 56.100 0.063 0.000 0.960 315 R CB -0.291 30.097 30.300 0.147 0.000 0.856 315 R HN 0.191 nan 8.270 nan 0.000 0.436 316 K N 0.629 121.002 120.400 -0.045 0.000 2.002 316 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 316 K C 2.001 178.574 176.600 -0.046 0.000 1.048 316 K CA 1.344 57.618 56.287 -0.022 0.000 0.930 316 K CB -0.013 32.428 32.500 -0.098 0.000 0.714 316 K HN 0.018 nan 8.250 nan 0.000 0.438 317 I N 1.693 122.107 120.570 -0.259 0.000 2.163 317 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 317 I C 2.383 178.463 176.117 -0.061 0.000 1.085 317 I CA 1.491 62.662 61.300 -0.215 0.000 1.347 317 I CB -0.900 36.909 38.000 -0.319 0.000 1.044 317 I HN 0.287 nan 8.210 nan 0.000 0.408 318 I N -0.124 120.438 120.570 -0.014 0.000 2.252 318 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 318 I C 2.585 178.770 176.117 0.112 0.000 1.102 318 I CA 1.265 62.591 61.300 0.042 0.000 1.385 318 I CB -0.447 37.602 38.000 0.082 0.000 1.064 318 I HN 0.080 nan 8.210 nan 0.000 0.414 319 F N 2.059 122.036 119.950 0.046 0.000 2.102 319 F HA -0.222 4.304 4.527 -0.000 0.000 0.298 319 F C 2.375 178.241 175.800 0.110 0.000 1.105 319 F CA 1.792 59.867 58.000 0.124 0.000 1.239 319 F CB -0.385 38.673 39.000 0.097 0.000 0.991 319 F HN 0.031 nan 8.300 nan 0.000 0.474 320 E N 0.115 120.253 120.200 -0.104 0.000 2.085 320 E HA -0.249 4.100 4.350 -0.000 0.000 0.194 320 E C 2.118 178.615 176.600 -0.172 0.000 0.994 320 E CA 1.474 57.759 56.400 -0.191 0.000 0.801 320 E CB -0.487 29.181 29.700 -0.053 0.000 0.743 320 E HN 0.427 nan 8.360 nan 0.000 0.453 321 L N 1.595 122.755 121.223 -0.105 0.000 2.017 321 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 321 L C 1.828 178.622 176.870 -0.127 0.000 1.073 321 L CA 1.902 56.687 54.840 -0.091 0.000 0.745 321 L CB -0.115 41.908 42.059 -0.061 0.000 0.894 321 L HN -0.099 nan 8.230 nan 0.000 0.432 322 K N -0.642 119.664 120.400 -0.156 0.000 2.148 322 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 322 K C 2.084 178.561 176.600 -0.205 0.000 1.050 322 K CA 1.048 57.189 56.287 -0.244 0.000 0.942 322 K CB -0.324 31.967 32.500 -0.349 0.000 0.724 322 K HN 0.493 nan 8.250 nan 0.000 0.446 323 A N 1.622 124.326 122.820 -0.193 0.000 1.877 323 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 323 A C 2.390 179.926 177.584 -0.080 0.000 1.186 323 A CA 1.847 53.804 52.037 -0.133 0.000 0.620 323 A CB -0.713 18.061 19.000 -0.376 0.000 0.822 323 A HN 0.316 nan 8.150 nan 0.000 0.443 324 A N -0.640 122.122 122.820 -0.097 0.000 1.933 324 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 324 A C 2.252 179.807 177.584 -0.049 0.000 1.175 324 A CA 1.778 53.784 52.037 -0.052 0.000 0.628 324 A CB -0.543 18.427 19.000 -0.049 0.000 0.814 324 A HN 0.549 nan 8.150 nan 0.000 0.444 325 M N -1.974 117.578 119.600 -0.080 0.000 2.086 325 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 325 M C 2.412 178.663 176.300 -0.082 0.000 1.067 325 M CA 2.153 57.401 55.300 -0.088 0.000 1.116 325 M CB -0.401 32.124 32.600 -0.125 0.000 1.348 325 M HN 0.535 nan 8.290 nan 0.000 0.407 326 M N 1.076 120.628 119.600 -0.081 0.000 2.065 326 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 326 M C 1.649 177.936 176.300 -0.021 0.000 1.069 326 M CA 1.909 57.188 55.300 -0.034 0.000 1.110 326 M CB -0.501 32.158 32.600 0.099 0.000 1.328 326 M HN 0.192 nan 8.290 nan 0.000 0.405 327 L N -0.299 120.931 121.223 0.011 0.000 2.610 327 L HA 0.021 4.361 4.340 -0.000 0.000 0.232 327 L C 1.151 178.014 176.870 -0.012 0.000 1.149 327 L CA 1.021 55.888 54.840 0.045 0.000 0.872 327 L CB -1.146 41.008 42.059 0.157 0.000 0.992 327 L HN 0.549 nan 8.230 nan 0.000 0.447 328 T N -5.134 109.400 114.554 -0.034 0.000 3.040 328 T HA 0.275 4.625 4.350 -0.000 0.000 0.266 328 T C 1.251 175.917 174.700 -0.056 0.000 1.005 328 T CA 0.276 62.350 62.100 -0.043 0.000 0.906 328 T CB 0.809 69.664 68.868 -0.022 0.000 1.082 328 T HN 0.286 nan 8.240 nan 0.000 0.531 329 G N 1.493 110.251 108.800 -0.071 0.000 2.246 329 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.273 329 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.273 329 G C -0.068 174.799 174.900 -0.054 0.000 1.055 329 G CA 0.053 45.112 45.100 -0.068 0.000 0.851 329 G HN 0.680 nan 8.290 nan 0.000 0.500 330 S N -0.166 115.498 115.700 -0.059 0.000 2.461 330 S HA 0.410 4.879 4.470 -0.000 0.000 0.322 330 S C 1.386 175.945 174.600 -0.070 0.000 1.063 330 S CA -0.139 58.029 58.200 -0.055 0.000 1.120 330 S CB 1.405 64.575 63.200 -0.051 0.000 0.968 330 S HN 0.720 nan 8.310 nan 0.000 0.467 331 K N 1.553 121.918 120.400 -0.059 0.000 2.228 331 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 331 K C 0.002 176.562 176.600 -0.066 0.000 1.051 331 K CA 0.903 57.151 56.287 -0.066 0.000 0.960 331 K CB -0.160 32.312 32.500 -0.047 0.000 0.743 331 K HN 0.595 nan 8.250 nan 0.000 0.458 332 D N -1.310 119.059 120.400 -0.051 0.000 2.610 332 D HA 0.086 4.726 4.640 -0.000 0.000 0.271 332 D C 0.777 177.056 176.300 -0.036 0.000 1.174 332 D CA -0.872 53.102 54.000 -0.044 0.000 0.949 332 D CB 1.046 41.828 40.800 -0.030 0.000 1.430 332 D HN -0.240 nan 8.370 nan 0.000 0.467 333 V N 0.293 120.191 119.914 -0.027 0.000 2.392 333 V HA -0.222 3.897 4.120 -0.000 0.000 0.249 333 V C 1.668 177.753 176.094 -0.014 0.000 1.059 333 V CA 2.169 64.459 62.300 -0.018 0.000 1.051 333 V CB -0.631 31.190 31.823 -0.003 0.000 0.658 333 V HN 0.617 nan 8.190 nan 0.000 0.455 334 D N 0.236 120.629 120.400 -0.011 0.000 2.123 334 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 334 D C 2.231 178.522 176.300 -0.016 0.000 0.992 334 D CA 1.801 55.795 54.000 -0.011 0.000 0.833 334 D CB -0.035 40.760 40.800 -0.008 0.000 0.954 334 D HN 0.466 nan 8.370 nan 0.000 0.455 335 A N 0.757 123.565 122.820 -0.020 0.000 1.930 335 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 335 A C 2.179 179.749 177.584 -0.023 0.000 1.175 335 A CA 0.822 52.846 52.037 -0.022 0.000 0.627 335 A CB -0.631 18.353 19.000 -0.026 0.000 0.815 335 A HN 0.244 nan 8.150 nan 0.000 0.443 336 L N 0.041 121.249 121.223 -0.026 0.000 2.083 336 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 336 L C 2.128 178.987 176.870 -0.018 0.000 1.083 336 L CA 2.114 56.939 54.840 -0.024 0.000 0.752 336 L CB -0.440 41.602 42.059 -0.028 0.000 0.899 336 L HN 0.333 nan 8.230 nan 0.000 0.433 337 K N -0.152 120.237 120.400 -0.018 0.000 2.280 337 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 337 K C 1.190 177.775 176.600 -0.026 0.000 1.047 337 K CA 1.450 57.725 56.287 -0.021 0.000 0.942 337 K CB -0.055 32.432 32.500 -0.021 0.000 0.739 337 K HN 0.512 nan 8.250 nan 0.000 0.457 338 K N -0.134 120.252 120.400 -0.023 0.000 2.414 338 K HA 0.125 4.445 4.320 -0.000 0.000 0.204 338 K C 0.497 177.088 176.600 -0.015 0.000 1.026 338 K CA -0.154 56.119 56.287 -0.023 0.000 1.108 338 K CB 0.722 33.208 32.500 -0.024 0.000 0.855 338 K HN -0.206 nan 8.250 nan 0.000 0.517 339 T N 1.304 115.851 114.554 -0.011 0.000 2.813 339 T HA 0.081 4.431 4.350 -0.000 0.000 0.297 339 T C -0.078 174.623 174.700 0.002 0.000 1.036 339 T CA -0.089 62.007 62.100 -0.007 0.000 1.044 339 T CB 0.696 69.558 68.868 -0.010 0.000 0.993 339 T HN 0.176 nan 8.240 nan 0.000 0.535 340 S N 2.169 117.873 115.700 0.005 0.000 2.528 340 S HA 0.485 4.955 4.470 -0.000 0.000 0.277 340 S C 0.157 174.769 174.600 0.021 0.000 1.297 340 S CA -0.666 57.543 58.200 0.014 0.000 1.052 340 S CB -0.199 63.008 63.200 0.012 0.000 0.917 340 S HN 0.609 nan 8.310 nan 0.000 0.492 341 I N -0.489 120.099 120.570 0.030 0.000 3.108 341 I HA 0.850 5.020 4.170 -0.000 0.000 0.312 341 I C -1.245 174.892 176.117 0.034 0.000 1.095 341 I CA -1.241 60.080 61.300 0.035 0.000 1.000 341 I CB 1.923 39.951 38.000 0.046 0.000 1.229 341 I HN 0.254 nan 8.210 nan 0.000 0.454 342 V N 3.782 123.712 119.914 0.028 0.000 2.588 342 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 342 V C -0.249 175.854 176.094 0.014 0.000 1.042 342 V CA -0.382 61.931 62.300 0.021 0.000 0.877 342 V CB 1.787 33.618 31.823 0.014 0.000 0.996 342 V HN 0.520 nan 8.190 nan 0.000 0.425 343 I N 5.622 126.198 120.570 0.011 0.000 2.378 343 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 343 I C -0.427 175.679 176.117 -0.020 0.000 0.992 343 I CA -0.192 61.104 61.300 -0.006 0.000 1.154 343 I CB 1.456 39.451 38.000 -0.009 0.000 1.315 343 I HN 0.373 nan 8.210 nan 0.000 0.448 344 L N 4.232 125.433 121.223 -0.038 0.000 2.235 344 L HA 0.786 5.126 4.340 -0.000 0.000 0.260 344 L C 0.981 177.802 176.870 -0.081 0.000 1.025 344 L CA -0.615 54.195 54.840 -0.050 0.000 0.836 344 L CB 1.520 43.548 42.059 -0.051 0.000 1.395 344 L HN 0.808 nan 8.230 nan 0.000 0.443 345 G N 0.360 109.108 108.800 -0.086 0.000 2.582 345 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.288 345 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.288 345 G C 0.541 175.345 174.900 -0.161 0.000 1.247 345 G CA 0.676 45.698 45.100 -0.130 0.000 0.972 345 G HN 0.706 nan 8.290 nan 0.000 0.557 346 K N -0.476 119.743 120.400 -0.301 0.000 2.148 346 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 346 K C 2.629 179.085 176.600 -0.239 0.000 1.050 346 K CA 1.401 57.475 56.287 -0.356 0.000 0.942 346 K CB -0.208 31.873 32.500 -0.698 0.000 0.724 346 K HN 0.304 nan 8.250 nan 0.000 0.446 347 L N 1.993 123.025 121.223 -0.319 0.000 2.046 347 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 347 L C 2.173 179.088 176.870 0.076 0.000 1.077 347 L CA 1.806 56.669 54.840 0.037 0.000 0.747 347 L CB -0.331 41.737 42.059 0.015 0.000 0.896 347 L HN 0.020 nan 8.230 nan 0.000 0.432 348 K N -0.446 119.952 120.400 -0.003 0.000 2.032 348 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 348 K C 1.941 178.571 176.600 0.050 0.000 1.048 348 K CA 1.940 58.231 56.287 0.006 0.000 0.927 348 K CB -0.107 32.382 32.500 -0.019 0.000 0.712 348 K HN 0.514 nan 8.250 nan 0.000 0.441 349 E N -0.308 119.930 120.200 0.062 0.000 2.072 349 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 349 E C 1.762 178.455 176.600 0.154 0.000 0.985 349 E CA 0.845 57.294 56.400 0.082 0.000 0.801 349 E CB -0.239 29.490 29.700 0.048 0.000 0.750 349 E HN 0.494 nan 8.360 nan 0.000 0.452 350 W N 1.801 123.123 121.300 0.036 0.000 2.333 350 W HA -0.217 4.443 4.660 -0.000 0.000 0.316 350 W C 2.275 178.803 176.519 0.015 0.000 1.215 350 W CA 2.106 59.488 57.345 0.062 0.000 1.278 350 W CB -0.497 29.050 29.460 0.145 0.000 1.154 350 W HN 0.039 nan 8.180 nan 0.000 0.486 351 A N 0.563 123.563 122.820 0.300 0.000 1.883 351 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 351 A C 1.887 179.456 177.584 -0.025 0.000 1.186 351 A CA 2.106 54.186 52.037 0.072 0.000 0.624 351 A CB -1.029 17.926 19.000 -0.075 0.000 0.822 351 A HN 0.486 nan 8.150 nan 0.000 0.444 352 E N -1.695 118.507 120.200 0.003 0.000 2.038 352 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 352 E C 1.915 178.491 176.600 -0.040 0.000 1.000 352 E CA 1.631 58.018 56.400 -0.022 0.000 0.803 352 E CB -0.356 29.347 29.700 0.005 0.000 0.750 352 E HN 0.747 nan 8.360 nan 0.000 0.448 353 Y N 1.009 121.244 120.300 -0.109 0.000 2.256 353 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 353 Y C 1.818 177.615 175.900 -0.172 0.000 1.155 353 Y CA 1.329 59.340 58.100 -0.149 0.000 1.203 353 Y CB 0.328 38.667 38.460 -0.202 0.000 0.980 353 Y HN -0.143 nan 8.280 nan 0.000 0.530 354 R N -0.126 120.329 120.500 -0.075 0.000 2.319 354 R HA 0.147 4.487 4.340 -0.000 0.000 0.204 354 R C 1.381 177.613 176.300 -0.114 0.000 0.954 354 R CA 0.735 56.773 56.100 -0.102 0.000 1.066 354 R CB -0.560 29.687 30.300 -0.088 0.000 0.991 354 R HN 0.529 nan 8.270 nan 0.000 0.486 355 G N 1.460 110.174 108.800 -0.144 0.000 2.143 355 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.249 355 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.249 355 G C 0.235 175.045 174.900 -0.150 0.000 0.981 355 G CA -0.139 44.896 45.100 -0.109 0.000 0.665 355 G HN 0.336 nan 8.290 nan 0.000 0.528 356 I N 1.832 122.222 120.570 -0.300 0.000 2.372 356 I HA 0.072 4.242 4.170 -0.000 0.000 0.298 356 I C 0.859 176.775 176.117 -0.335 0.000 1.137 356 I CA -0.499 60.409 61.300 -0.654 0.000 1.314 356 I CB 0.290 37.850 38.000 -0.733 0.000 1.444 356 I HN 0.166 nan 8.210 nan 0.000 0.541 357 N N 6.776 125.380 118.700 -0.159 0.000 2.434 357 N HA 0.016 4.756 4.740 -0.000 0.000 0.268 357 N C 0.928 176.471 175.510 0.055 0.000 1.256 357 N CA 0.145 53.201 53.050 0.011 0.000 0.914 357 N CB 0.992 39.554 38.487 0.124 0.000 1.088 357 N HN 0.601 nan 8.380 nan 0.000 0.478 358 L N 2.518 123.761 121.223 0.034 0.000 2.191 358 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 358 L C 2.274 179.231 176.870 0.145 0.000 1.103 358 L CA 0.665 55.556 54.840 0.084 0.000 0.769 358 L CB -0.237 41.845 42.059 0.039 0.000 0.908 358 L HN 0.501 nan 8.230 nan 0.000 0.438 359 S N 0.406 116.172 115.700 0.110 0.000 2.345 359 S HA -0.140 4.330 4.470 -0.000 0.000 0.219 359 S C 1.950 176.623 174.600 0.122 0.000 1.031 359 S CA 1.445 59.703 58.200 0.098 0.000 0.984 359 S CB -0.209 63.031 63.200 0.067 0.000 0.874 359 S HN 0.487 nan 8.310 nan 0.000 0.451 360 I N 0.089 120.755 120.570 0.160 0.000 2.454 360 I HA -0.149 4.021 4.170 -0.000 0.000 0.254 360 I C 1.968 178.225 176.117 0.232 0.000 1.156 360 I CA 1.386 62.788 61.300 0.171 0.000 1.433 360 I CB -0.371 37.729 38.000 0.166 0.000 1.082 360 I HN 0.318 nan 8.210 nan 0.000 0.432 361 Y N 1.818 122.247 120.300 0.215 0.000 2.145 361 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 361 Y C 2.523 178.485 175.900 0.104 0.000 1.145 361 Y CA 2.113 60.332 58.100 0.199 0.000 1.148 361 Y CB -0.100 38.413 38.460 0.089 0.000 0.981 361 Y HN 0.215 nan 8.280 nan 0.000 0.507 362 E N 0.589 120.828 120.200 0.066 0.000 2.085 362 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 362 E C 2.013 178.563 176.600 -0.084 0.000 0.994 362 E CA 1.634 58.019 56.400 -0.025 0.000 0.801 362 E CB -0.203 29.526 29.700 0.049 0.000 0.743 362 E HN 0.601 nan 8.360 nan 0.000 0.453 363 K N 0.509 120.885 120.400 -0.040 0.000 2.057 363 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 363 K C 2.345 178.890 176.600 -0.091 0.000 1.049 363 K CA 1.045 57.304 56.287 -0.046 0.000 0.931 363 K CB -0.349 32.142 32.500 -0.016 0.000 0.714 363 K HN -0.003 nan 8.250 nan 0.000 0.440 364 V N 2.444 122.281 119.914 -0.128 0.000 2.295 364 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 364 V C 2.521 178.488 176.094 -0.211 0.000 1.049 364 V CA 2.154 64.358 62.300 -0.160 0.000 1.024 364 V CB -0.602 31.138 31.823 -0.139 0.000 0.648 364 V HN 0.420 nan 8.190 nan 0.000 0.447 365 R N 0.301 120.587 120.500 -0.356 0.000 2.235 365 R HA 0.031 4.371 4.340 -0.000 0.000 0.213 365 R C 0.671 176.880 176.300 -0.152 0.000 1.059 365 R CA 0.418 56.349 56.100 -0.282 0.000 0.997 365 R CB -0.154 29.908 30.300 -0.397 0.000 0.884 365 R HN 0.418 nan 8.270 nan 0.000 0.462 366 K N 0.000 120.320 120.400 -0.134 0.000 2.780 366 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 366 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 366 K CB 0.000 32.467 32.500 -0.056 0.000 1.064 366 K HN 0.000 nan 8.250 nan 0.000 0.543