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 1gon_1_B DATA FIRST_RESID 15 DATA SEQUENCE ALTFPEGFLW GSATASYQIE GAAAEDGRTP SIWDTYARTP GRVRNGDTGD DATA SEQUENCE VATDHYHRWR EDVALMAELG LGAYRFSLAW PRIQPTGRGP ALQKGLDFYR DATA SEQUENCE RLADELLAKG IQPVATLYHW DLPQELENAG GWPERATAER FAEYAAIAAD DATA SEQUENCE ALGDRVKTWT TLNEPWCSAF LGYGSGVHAP GRTDPVAALR AAHHLNLGHG DATA SEQUENCE LAVQALRDRL PADAQCSVTL NIHHVRPLTD SDADADAVRR IDALANRVFT DATA SEQUENCE GPMLQGAYPE DLVKDTAGLT DWSFVRDGDL RLAHQKLDFL GVNYYSPTXV DATA SEQUENCE SXXXXXXXXX XXXXXXXXHS PWPGADRVAF HQPPGETTAM GWAVDPSGLY DATA SEQUENCE ELLRRLSSDF PALPLVITEN GAAFHDYADP EGNVNDPERI AYVRDHLAAV DATA SEQUENCE HRAIKDGSDV RGYFLWSLLD NFEWAHGYSK RFGAVYVDYP TGTRIPKASA DATA SEQUENCE RWYAEVARTG VLPTA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.520 177.584 -0.107 0.000 1.274 15 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 15 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 16 L N 1.777 122.893 121.223 -0.178 0.000 2.322 16 L HA 0.661 5.002 4.340 0.002 0.000 0.281 16 L C -0.036 176.688 176.870 -0.243 0.000 1.014 16 L CA -0.617 53.970 54.840 -0.421 0.000 0.815 16 L CB 2.213 43.720 42.059 -0.921 0.000 1.247 16 L HN 0.723 nan 8.230 nan 0.000 0.421 17 T N 2.179 116.674 114.554 -0.098 0.000 2.795 17 T HA 0.529 4.881 4.350 0.002 0.000 0.282 17 T C -0.364 174.442 174.700 0.177 0.000 0.980 17 T CA -0.252 61.906 62.100 0.095 0.000 1.012 17 T CB 0.708 69.626 68.868 0.082 0.000 0.936 17 T HN 0.072 nan 8.240 nan 0.000 0.457 18 F N 2.850 122.887 119.950 0.144 0.000 2.378 18 F HA 0.436 4.965 4.527 0.002 0.000 0.325 18 F C -1.756 174.084 175.800 0.067 0.000 1.097 18 F CA -2.359 55.676 58.000 0.060 0.000 1.079 18 F CB 0.275 39.237 39.000 -0.063 0.000 1.240 18 F HN 0.346 nan 8.300 nan 0.000 0.519 19 P HA -0.045 nan 4.420 nan 0.000 0.264 19 P C 0.517 177.966 177.300 0.249 0.000 1.183 19 P CA 0.275 63.490 63.100 0.191 0.000 0.763 19 P CB 0.406 32.221 31.700 0.192 0.000 0.807 20 E N 2.440 122.747 120.200 0.178 0.000 2.160 20 E HA -0.171 4.181 4.350 0.002 0.000 0.195 20 E C 1.526 178.228 176.600 0.171 0.000 0.991 20 E CA 1.579 58.080 56.400 0.168 0.000 0.810 20 E CB -0.763 29.002 29.700 0.109 0.000 0.742 20 E HN 0.573 nan 8.360 nan 0.000 0.466 21 G N 0.279 109.168 108.800 0.148 0.000 3.042 21 G HA2 -0.019 3.943 3.960 0.002 0.000 0.212 21 G HA3 -0.019 3.943 3.960 0.002 0.000 0.212 21 G C -0.039 174.916 174.900 0.091 0.000 1.166 21 G CA -0.616 44.547 45.100 0.104 0.000 0.767 21 G HN 0.257 nan 8.290 nan 0.000 0.546 22 F N 1.151 121.085 119.950 -0.027 0.000 2.608 22 F HA 0.287 4.815 4.527 0.002 0.000 0.380 22 F C 0.313 175.907 175.800 -0.343 0.000 1.083 22 F CA -1.027 56.859 58.000 -0.190 0.000 1.266 22 F CB 0.730 39.594 39.000 -0.226 0.000 1.076 22 F HN -0.077 nan 8.300 nan 0.000 0.574 23 L N 7.877 128.598 121.223 -0.837 0.000 2.281 23 L HA 0.239 4.580 4.340 0.002 0.000 0.285 23 L C -1.514 174.890 176.870 -0.777 0.000 1.074 23 L CA -0.196 54.280 54.840 -0.606 0.000 0.817 23 L CB -0.002 41.797 42.059 -0.432 0.000 1.168 23 L HN 0.551 nan 8.230 nan 0.000 0.434 24 W N 5.063 126.202 121.300 -0.269 0.000 2.376 24 W HA 0.716 5.378 4.660 0.002 0.000 0.312 24 W C 0.488 176.808 176.519 -0.333 0.000 1.060 24 W CA -0.354 56.858 57.345 -0.221 0.000 1.221 24 W CB 1.806 31.148 29.460 -0.198 0.000 1.281 24 W HN 0.760 nan 8.180 nan 0.000 0.456 25 G N 0.919 109.583 108.800 -0.225 0.000 2.827 25 G HA2 0.686 4.648 3.960 0.002 0.000 0.296 25 G HA3 0.686 4.648 3.960 0.002 0.000 0.296 25 G C -1.127 173.869 174.900 0.159 0.000 1.362 25 G CA -0.887 44.056 45.100 -0.261 0.000 0.809 25 G HN 0.451 nan 8.290 nan 0.000 0.522 26 S N -1.795 114.114 115.700 0.348 0.000 2.632 26 S HA 0.916 5.388 4.470 0.002 0.000 0.289 26 S C -0.485 174.401 174.600 0.476 0.000 1.115 26 S CA -0.053 58.377 58.200 0.384 0.000 0.889 26 S CB 1.882 65.265 63.200 0.305 0.000 1.116 26 S HN 2.162 nan 8.310 nan 0.000 0.486 27 A N 0.756 123.733 122.820 0.261 0.000 2.498 27 A HA 0.981 5.302 4.320 0.002 0.000 0.298 27 A C -0.149 177.292 177.584 -0.238 0.000 1.075 27 A CA -0.436 51.701 52.037 0.166 0.000 0.714 27 A CB 1.457 20.679 19.000 0.370 0.000 1.299 27 A HN 1.806 nan 8.150 nan 0.000 0.407 28 T N -2.154 112.327 114.554 -0.122 0.000 2.754 28 T HA 0.883 5.234 4.350 0.002 0.000 0.296 28 T C -0.567 174.177 174.700 0.074 0.000 1.205 28 T CA -0.144 61.802 62.100 -0.257 0.000 1.009 28 T CB 1.446 70.245 68.868 -0.115 0.000 1.368 28 T HN 2.272 nan 8.240 nan 0.000 0.509 29 A N 0.640 123.463 122.820 0.005 0.000 2.449 29 A HA 0.742 5.063 4.320 0.002 0.000 0.302 29 A C 1.206 178.763 177.584 -0.044 0.000 1.048 29 A CA -0.093 51.843 52.037 -0.169 0.000 0.708 29 A CB 1.466 20.012 19.000 -0.756 0.000 1.274 29 A HN 1.634 nan 8.150 nan 0.000 0.410 30 S N 1.626 117.379 115.700 0.087 0.000 2.404 30 S HA -0.335 4.136 4.470 0.002 0.000 0.230 30 S C 1.693 176.360 174.600 0.113 0.000 1.046 30 S CA 2.311 60.629 58.200 0.196 0.000 1.135 30 S CB -1.015 62.369 63.200 0.307 0.000 1.056 30 S HN 1.143 nan 8.310 nan 0.000 0.426 31 Y N 2.695 122.991 120.300 -0.007 0.000 2.403 31 Y HA -0.042 4.510 4.550 0.002 0.000 0.291 31 Y C 2.638 178.384 175.900 -0.256 0.000 1.143 31 Y CA 1.654 59.699 58.100 -0.091 0.000 1.257 31 Y CB -0.489 37.968 38.460 -0.004 0.000 0.984 31 Y HN 0.437 nan 8.280 nan 0.000 0.550 32 Q N -0.569 119.029 119.800 -0.336 0.000 2.230 32 Q HA -0.037 4.305 4.340 0.002 0.000 0.202 32 Q C 1.924 177.798 176.000 -0.210 0.000 0.963 32 Q CA 1.725 57.291 55.803 -0.395 0.000 0.866 32 Q CB 0.105 28.578 28.738 -0.441 0.000 0.931 32 Q HN 0.763 nan 8.270 nan 0.000 0.452 33 I N -4.395 116.089 120.570 -0.144 0.000 4.433 33 I HA 0.154 4.325 4.170 0.002 0.000 0.322 33 I C 1.457 177.590 176.117 0.026 0.000 1.284 33 I CA -0.027 61.243 61.300 -0.050 0.000 1.269 33 I CB 0.157 38.099 38.000 -0.098 0.000 1.219 33 I HN -0.115 nan 8.210 nan 0.000 0.436 34 E N 2.586 122.800 120.200 0.023 0.000 2.038 34 E HA 0.081 4.432 4.350 0.002 0.000 0.195 34 E C 1.524 178.100 176.600 -0.040 0.000 1.000 34 E CA 1.345 57.792 56.400 0.079 0.000 0.803 34 E CB -0.338 29.398 29.700 0.060 0.000 0.750 34 E HN 0.687 nan 8.360 nan 0.000 0.448 35 G N 0.405 109.112 108.800 -0.155 0.000 2.562 35 G HA2 -0.236 3.725 3.960 0.002 0.000 0.250 35 G HA3 -0.236 3.725 3.960 0.002 0.000 0.250 35 G C 0.343 175.108 174.900 -0.225 0.000 1.269 35 G CA 0.215 45.209 45.100 -0.175 0.000 0.919 35 G HN 1.047 nan 8.290 nan 0.000 0.574 36 A N -2.086 120.607 122.820 -0.211 0.000 2.596 36 A HA 0.142 4.463 4.320 0.002 0.000 0.300 36 A C 2.384 179.810 177.584 -0.265 0.000 1.495 36 A CA 1.790 53.675 52.037 -0.253 0.000 0.769 36 A CB -1.574 17.152 19.000 -0.458 0.000 1.047 36 A HN 2.702 nan 8.150 nan 0.000 0.436 37 A N -0.805 121.924 122.820 -0.151 0.000 2.024 37 A HA 0.241 4.562 4.320 0.002 0.000 0.220 37 A C 1.999 179.541 177.584 -0.071 0.000 1.164 37 A CA 2.028 54.014 52.037 -0.086 0.000 0.643 37 A CB -0.302 18.692 19.000 -0.010 0.000 0.806 37 A HN 2.267 nan 8.150 nan 0.000 0.451 38 A N -0.803 121.976 122.820 -0.068 0.000 2.564 38 A HA 0.400 4.721 4.320 0.002 0.000 0.279 38 A C 0.214 177.769 177.584 -0.049 0.000 1.232 38 A CA -0.385 51.626 52.037 -0.043 0.000 0.950 38 A CB 0.149 19.140 19.000 -0.014 0.000 1.138 38 A HN 0.506 nan 8.150 nan 0.000 0.526 39 E N 0.793 120.934 120.200 -0.097 0.000 2.283 39 E HA 0.299 4.650 4.350 0.002 0.000 0.271 39 E C -0.638 175.918 176.600 -0.074 0.000 1.031 39 E CA -0.740 55.626 56.400 -0.058 0.000 0.868 39 E CB 0.485 30.176 29.700 -0.015 0.000 1.094 39 E HN 0.230 nan 8.360 nan 0.000 0.401 40 D N 1.208 121.619 120.400 0.018 0.000 2.811 40 D HA -0.224 4.418 4.640 0.002 0.000 0.231 40 D C 0.788 177.108 176.300 0.032 0.000 1.157 40 D CA 1.506 55.536 54.000 0.050 0.000 0.716 40 D CB -1.290 39.579 40.800 0.116 0.000 1.077 40 D HN 0.934 nan 8.370 nan 0.000 0.428 41 G N -0.149 108.660 108.800 0.015 0.000 2.213 41 G HA2 -0.375 3.586 3.960 0.002 0.000 0.236 41 G HA3 -0.375 3.586 3.960 0.002 0.000 0.236 41 G C 0.386 175.291 174.900 0.008 0.000 0.991 41 G CA 0.328 45.440 45.100 0.021 0.000 0.629 41 G HN 0.612 nan 8.290 nan 0.000 0.517 42 R N 1.859 122.346 120.500 -0.021 0.000 2.522 42 R HA 0.432 4.774 4.340 0.002 0.000 0.284 42 R C 0.628 176.919 176.300 -0.015 0.000 1.032 42 R CA 1.119 57.205 56.100 -0.023 0.000 1.049 42 R CB 0.125 30.375 30.300 -0.084 0.000 0.956 42 R HN 0.420 nan 8.270 nan 0.000 0.422 43 T N 2.171 116.722 114.554 -0.005 0.000 2.932 43 T HA 0.458 4.809 4.350 0.002 0.000 0.289 43 T C -2.591 172.104 174.700 -0.007 0.000 1.039 43 T CA -2.325 59.769 62.100 -0.012 0.000 1.024 43 T CB 1.796 70.650 68.868 -0.023 0.000 1.090 43 T HN 0.391 nan 8.240 nan 0.000 0.496 44 P HA 0.094 nan 4.420 nan 0.000 0.261 44 P C -0.051 177.235 177.300 -0.023 0.000 1.165 44 P CA 0.196 63.295 63.100 -0.002 0.000 0.759 44 P CB 0.268 31.962 31.700 -0.010 0.000 0.772 45 S N 2.660 118.356 115.700 -0.007 0.000 2.745 45 S HA 0.340 4.811 4.470 0.002 0.000 0.292 45 S C 1.454 176.033 174.600 -0.036 0.000 1.133 45 S CA -0.701 57.491 58.200 -0.012 0.000 0.998 45 S CB 0.466 63.692 63.200 0.042 0.000 1.087 45 S HN 0.462 nan 8.310 nan 0.000 0.551 46 I N -2.977 117.570 120.570 -0.038 0.000 2.423 46 I HA -0.022 4.150 4.170 0.002 0.000 0.254 46 I C 1.734 177.745 176.117 -0.176 0.000 1.151 46 I CA 1.089 62.317 61.300 -0.121 0.000 1.421 46 I CB -0.450 37.447 38.000 -0.172 0.000 1.079 46 I HN 0.628 nan 8.210 nan 0.000 0.431 47 W N 2.097 123.297 121.300 -0.166 0.000 2.467 47 W HA -0.045 4.617 4.660 0.003 0.000 0.275 47 W C 1.962 178.348 176.519 -0.221 0.000 1.239 47 W CA 1.239 58.462 57.345 -0.204 0.000 1.266 47 W CB -0.175 29.028 29.460 -0.428 0.000 1.112 47 W HN 0.176 nan 8.180 nan 0.000 0.576 48 D N -0.983 119.378 120.400 -0.065 0.000 2.097 48 D HA -0.172 4.469 4.640 0.002 0.000 0.197 48 D C 2.143 178.489 176.300 0.077 0.000 0.984 48 D CA 2.255 56.297 54.000 0.071 0.000 0.826 48 D CB -0.648 40.197 40.800 0.075 0.000 0.973 48 D HN -0.068 nan 8.370 nan 0.000 0.460 49 T N -0.251 114.316 114.554 0.022 0.000 2.652 49 T HA -0.228 4.123 4.350 0.002 0.000 0.267 49 T C 1.686 176.397 174.700 0.018 0.000 1.039 49 T CA 1.122 63.224 62.100 0.004 0.000 1.153 49 T CB -0.665 68.183 68.868 -0.033 0.000 0.863 49 T HN 0.155 nan 8.240 nan 0.000 0.428 50 Y N 2.169 122.377 120.300 -0.153 0.000 2.081 50 Y HA -0.156 4.396 4.550 0.003 0.000 0.280 50 Y C 2.661 178.548 175.900 -0.022 0.000 1.163 50 Y CA 1.115 59.099 58.100 -0.194 0.000 1.135 50 Y CB -0.954 37.205 38.460 -0.502 0.000 0.970 50 Y HN 0.199 nan 8.280 nan 0.000 0.498 51 A N 0.028 122.965 122.820 0.195 0.000 1.978 51 A HA -0.203 4.118 4.320 0.002 0.000 0.220 51 A C 2.272 179.911 177.584 0.092 0.000 1.170 51 A CA 1.697 53.879 52.037 0.241 0.000 0.636 51 A CB -0.614 18.632 19.000 0.409 0.000 0.810 51 A HN 0.508 nan 8.150 nan 0.000 0.448 52 R N -0.435 120.095 120.500 0.050 0.000 2.323 52 R HA 0.012 4.354 4.340 0.002 0.000 0.198 52 R C -0.291 175.990 176.300 -0.031 0.000 0.988 52 R CA 0.468 56.580 56.100 0.019 0.000 1.041 52 R CB -0.139 30.174 30.300 0.021 0.000 0.926 52 R HN 0.382 nan 8.270 nan 0.000 0.476 53 T N 3.035 117.532 114.554 -0.096 0.000 2.749 53 T HA 0.214 4.565 4.350 0.002 0.000 0.295 53 T C -2.441 172.181 174.700 -0.130 0.000 0.936 53 T CA -1.425 60.593 62.100 -0.137 0.000 1.060 53 T CB 1.550 70.275 68.868 -0.239 0.000 0.904 53 T HN -0.053 nan 8.240 nan 0.000 0.500 54 P HA 0.216 nan 4.420 nan 0.000 0.263 54 P C 1.090 178.351 177.300 -0.064 0.000 1.195 54 P CA 0.792 63.862 63.100 -0.050 0.000 0.762 54 P CB 0.309 31.991 31.700 -0.030 0.000 0.799 55 G N 3.199 111.973 108.800 -0.043 0.000 2.195 55 G HA2 -0.277 3.685 3.960 0.002 0.000 0.246 55 G HA3 -0.277 3.685 3.960 0.002 0.000 0.246 55 G C 1.399 176.264 174.900 -0.059 0.000 0.984 55 G CA -0.220 44.860 45.100 -0.034 0.000 0.633 55 G HN 0.427 nan 8.290 nan 0.000 0.525 56 R N -0.166 120.242 120.500 -0.153 0.000 2.075 56 R HA 0.279 4.621 4.340 0.002 0.000 0.226 56 R C 1.089 177.361 176.300 -0.047 0.000 1.114 56 R CA 1.293 57.224 56.100 -0.281 0.000 0.972 56 R CB -0.374 29.390 30.300 -0.894 0.000 0.869 56 R HN 0.479 nan 8.270 nan 0.000 0.437 57 V N 1.737 121.671 119.914 0.035 0.000 2.604 57 V HA 0.284 4.406 4.120 0.002 0.000 0.305 57 V C 0.017 176.183 176.094 0.120 0.000 1.043 57 V CA -1.308 61.096 62.300 0.174 0.000 0.888 57 V CB 2.179 34.199 31.823 0.328 0.000 0.995 57 V HN 0.065 nan 8.190 nan 0.000 0.429 58 R N 4.638 125.200 120.500 0.103 0.000 2.486 58 R HA -0.046 4.295 4.340 0.002 0.000 0.304 58 R C 0.937 177.289 176.300 0.088 0.000 0.913 58 R CA 1.035 57.181 56.100 0.077 0.000 1.124 58 R CB -0.751 29.580 30.300 0.051 0.000 0.891 58 R HN 0.793 nan 8.270 nan 0.000 0.410 59 N N 2.900 121.646 118.700 0.077 0.000 2.732 59 N HA -0.220 4.522 4.740 0.002 0.000 0.250 59 N C 0.560 176.125 175.510 0.091 0.000 1.097 59 N CA 1.775 54.872 53.050 0.079 0.000 0.812 59 N CB -1.327 37.211 38.487 0.086 0.000 1.148 59 N HN 1.012 nan 8.380 nan 0.000 0.572 60 G N -0.547 108.312 108.800 0.099 0.000 2.143 60 G HA2 -0.306 3.656 3.960 0.002 0.000 0.248 60 G HA3 -0.306 3.656 3.960 0.002 0.000 0.248 60 G C -0.200 174.796 174.900 0.159 0.000 0.991 60 G CA 0.469 45.632 45.100 0.106 0.000 0.689 60 G HN 0.506 nan 8.290 nan 0.000 0.522 61 D N 0.617 121.148 120.400 0.219 0.000 2.378 61 D HA 0.527 5.168 4.640 0.002 0.000 0.238 61 D C 1.143 177.669 176.300 0.376 0.000 1.180 61 D CA 1.414 55.610 54.000 0.326 0.000 0.895 61 D CB 1.070 42.089 40.800 0.365 0.000 1.192 61 D HN 0.700 nan 8.370 nan 0.000 0.438 62 T N -3.501 111.199 114.554 0.242 0.000 2.787 62 T HA 0.586 4.937 4.350 0.002 0.000 0.297 62 T C 0.635 175.009 174.700 -0.544 0.000 1.221 62 T CA -0.830 61.211 62.100 -0.098 0.000 1.006 62 T CB 1.389 70.274 68.868 0.028 0.000 1.328 62 T HN 0.190 nan 8.240 nan 0.000 0.509 63 G N -0.142 108.097 108.800 -0.935 0.000 3.448 63 G HA2 0.197 4.159 3.960 0.002 0.000 0.261 63 G HA3 0.197 4.159 3.960 0.002 0.000 0.261 63 G C 0.576 175.144 174.900 -0.552 0.000 1.173 63 G CA -0.176 44.235 45.100 -1.149 0.000 0.835 63 G HN 0.738 nan 8.290 nan 0.000 0.534 64 D N 0.352 120.607 120.400 -0.241 0.000 2.116 64 D HA -0.130 4.511 4.640 0.002 0.000 0.193 64 D C 2.397 178.625 176.300 -0.119 0.000 0.998 64 D CA 1.159 55.089 54.000 -0.117 0.000 0.836 64 D CB 0.287 41.061 40.800 -0.042 0.000 0.951 64 D HN 0.276 nan 8.370 nan 0.000 0.449 65 V N -0.395 119.457 119.914 -0.104 0.000 2.854 65 V HA 0.317 4.439 4.120 0.002 0.000 0.236 65 V C 1.354 177.410 176.094 -0.064 0.000 1.157 65 V CA 0.756 63.015 62.300 -0.069 0.000 1.187 65 V CB -0.095 31.700 31.823 -0.047 0.000 0.949 65 V HN 0.359 nan 8.190 nan 0.000 0.488 66 A N 1.293 124.082 122.820 -0.052 0.000 5.382 66 A HA -0.420 3.901 4.320 0.002 0.000 0.307 66 A C 1.672 179.320 177.584 0.107 0.000 1.937 66 A CA 2.708 54.783 52.037 0.063 0.000 0.715 66 A CB -2.199 16.784 19.000 -0.029 0.000 1.293 66 A HN 1.188 nan 8.150 nan 0.000 0.374 67 T N -2.590 112.048 114.554 0.140 0.000 3.122 67 T HA 0.402 4.754 4.350 0.002 0.000 0.250 67 T C 0.474 175.247 174.700 0.121 0.000 1.067 67 T CA 1.566 63.753 62.100 0.146 0.000 0.966 67 T CB -0.003 68.944 68.868 0.132 0.000 1.002 67 T HN 1.922 nan 8.240 nan 0.000 0.542 68 D N 0.884 121.341 120.400 0.095 0.000 2.837 68 D HA -0.264 4.377 4.640 0.002 0.000 0.230 68 D C 0.575 176.961 176.300 0.144 0.000 1.152 68 D CA 0.950 55.006 54.000 0.094 0.000 0.736 68 D CB -1.890 38.986 40.800 0.127 0.000 1.084 68 D HN 0.737 nan 8.370 nan 0.000 0.429 69 H N -0.977 118.142 119.070 0.081 0.000 2.421 69 H HA -0.177 4.380 4.556 0.002 0.000 0.298 69 H C 1.772 177.244 175.328 0.241 0.000 1.087 69 H CA 1.721 57.867 56.048 0.163 0.000 1.330 69 H CB -0.197 29.667 29.762 0.170 0.000 1.388 69 H HN 0.617 nan 8.280 nan 0.000 0.526 70 Y N 0.781 121.031 120.300 -0.083 0.000 2.298 70 Y HA -0.262 4.290 4.550 0.003 0.000 0.287 70 Y C 1.859 177.714 175.900 -0.075 0.000 1.164 70 Y CA 2.169 60.032 58.100 -0.393 0.000 1.229 70 Y CB -0.092 37.985 38.460 -0.638 0.000 0.977 70 Y HN 0.413 nan 8.280 nan 0.000 0.538 71 H N -1.777 117.366 119.070 0.121 0.000 2.439 71 H HA 0.204 4.761 4.556 0.002 0.000 0.299 71 H C 1.553 176.937 175.328 0.092 0.000 1.033 71 H CA 0.387 56.499 56.048 0.106 0.000 1.348 71 H CB 0.209 30.020 29.762 0.081 0.000 1.449 71 H HN 0.081 nan 8.280 nan 0.000 0.544 72 R N 1.711 122.305 120.500 0.155 0.000 2.334 72 R HA -0.033 4.308 4.340 0.002 0.000 0.220 72 R C 1.198 177.388 176.300 -0.185 0.000 0.917 72 R CA 0.100 56.180 56.100 -0.034 0.000 1.073 72 R CB -0.004 30.307 30.300 0.018 0.000 1.056 72 R HN 0.543 nan 8.270 nan 0.000 0.506 73 W N 1.653 122.749 121.300 -0.340 0.000 2.290 73 W HA -0.270 4.391 4.660 0.002 0.000 0.311 73 W C 0.909 177.285 176.519 -0.239 0.000 1.238 73 W CA 0.994 58.033 57.345 -0.508 0.000 1.255 73 W CB -0.989 28.116 29.460 -0.592 0.000 1.145 73 W HN 0.035 nan 8.180 nan 0.000 0.506 74 R N 1.022 120.815 120.500 -1.178 0.000 2.105 74 R HA -0.199 4.143 4.340 0.002 0.000 0.239 74 R C 2.410 178.446 176.300 -0.440 0.000 1.135 74 R CA 2.185 57.715 56.100 -0.951 0.000 0.967 74 R CB -0.635 28.992 30.300 -1.122 0.000 0.861 74 R HN 0.434 nan 8.270 nan 0.000 0.442 75 E N 0.740 120.736 120.200 -0.340 0.000 2.106 75 E HA -0.198 4.153 4.350 0.002 0.000 0.192 75 E C 0.928 177.452 176.600 -0.127 0.000 0.984 75 E CA 1.405 57.690 56.400 -0.192 0.000 0.806 75 E CB 0.101 29.716 29.700 -0.141 0.000 0.750 75 E HN 0.247 nan 8.360 nan 0.000 0.458 76 D N 0.256 120.601 120.400 -0.092 0.000 2.149 76 D HA -0.098 4.543 4.640 0.002 0.000 0.201 76 D C 2.104 178.340 176.300 -0.107 0.000 0.972 76 D CA 0.850 54.828 54.000 -0.038 0.000 0.835 76 D CB 0.052 40.922 40.800 0.117 0.000 0.966 76 D HN 0.130 nan 8.370 nan 0.000 0.476 77 V N 1.546 121.384 119.914 -0.127 0.000 2.427 77 V HA -0.181 3.941 4.120 0.002 0.000 0.248 77 V C 2.538 178.563 176.094 -0.115 0.000 1.051 77 V CA 1.580 63.794 62.300 -0.143 0.000 1.048 77 V CB -0.677 31.088 31.823 -0.096 0.000 0.666 77 V HN 0.151 nan 8.190 nan 0.000 0.456 78 A N -0.200 122.546 122.820 -0.123 0.000 1.933 78 A HA -0.139 4.183 4.320 0.002 0.000 0.218 78 A C 2.217 179.756 177.584 -0.075 0.000 1.175 78 A CA 1.639 53.615 52.037 -0.102 0.000 0.628 78 A CB -0.467 18.462 19.000 -0.118 0.000 0.814 78 A HN 0.500 nan 8.150 nan 0.000 0.444 79 L N -1.267 119.914 121.223 -0.071 0.000 2.056 79 L HA -0.197 4.145 4.340 0.002 0.000 0.207 79 L C 2.863 179.711 176.870 -0.036 0.000 1.078 79 L CA 1.409 56.222 54.840 -0.046 0.000 0.749 79 L CB -0.469 41.569 42.059 -0.035 0.000 0.901 79 L HN 0.426 nan 8.230 nan 0.000 0.433 80 M N -0.599 118.970 119.600 -0.053 0.000 2.080 80 M HA -0.231 4.250 4.480 0.002 0.000 0.260 80 M C 2.533 178.818 176.300 -0.024 0.000 1.068 80 M CA 2.073 57.354 55.300 -0.032 0.000 1.109 80 M CB -0.567 31.991 32.600 -0.070 0.000 1.342 80 M HN 0.320 nan 8.290 nan 0.000 0.405 81 A N -0.065 122.733 122.820 -0.037 0.000 1.933 81 A HA -0.229 4.092 4.320 0.002 0.000 0.218 81 A C 2.006 179.569 177.584 -0.036 0.000 1.175 81 A CA 2.013 54.031 52.037 -0.032 0.000 0.628 81 A CB -0.867 18.110 19.000 -0.038 0.000 0.814 81 A HN 0.619 nan 8.150 nan 0.000 0.444 82 E N -0.011 120.167 120.200 -0.038 0.000 2.110 82 E HA -0.140 4.212 4.350 0.002 0.000 0.193 82 E C 1.537 178.115 176.600 -0.038 0.000 0.988 82 E CA 1.028 57.406 56.400 -0.037 0.000 0.804 82 E CB -0.196 29.484 29.700 -0.034 0.000 0.745 82 E HN 0.635 nan 8.360 nan 0.000 0.458 83 L N -0.110 121.094 121.223 -0.031 0.000 2.599 83 L HA 0.157 4.499 4.340 0.002 0.000 0.230 83 L C 1.398 178.220 176.870 -0.081 0.000 1.141 83 L CA 0.368 55.184 54.840 -0.039 0.000 0.877 83 L CB -0.145 41.918 42.059 0.007 0.000 1.009 83 L HN 0.399 nan 8.230 nan 0.000 0.447 84 G N 1.003 109.764 108.800 -0.066 0.000 2.225 84 G HA2 -0.291 3.671 3.960 0.002 0.000 0.267 84 G HA3 -0.291 3.671 3.960 0.002 0.000 0.267 84 G C 0.274 175.127 174.900 -0.078 0.000 1.024 84 G CA -0.050 45.004 45.100 -0.077 0.000 0.784 84 G HN 0.280 nan 8.290 nan 0.000 0.507 85 L N -0.394 120.804 121.223 -0.042 0.000 2.426 85 L HA 0.444 4.786 4.340 0.002 0.000 0.271 85 L C 1.845 178.733 176.870 0.030 0.000 1.169 85 L CA 0.376 55.214 54.840 -0.004 0.000 0.836 85 L CB 0.779 42.879 42.059 0.067 0.000 1.112 85 L HN 0.160 nan 8.230 nan 0.000 0.465 86 G N 1.618 110.445 108.800 0.045 0.000 2.683 86 G HA2 0.394 4.356 3.960 0.002 0.000 0.213 86 G HA3 0.394 4.356 3.960 0.002 0.000 0.213 86 G C 0.345 175.283 174.900 0.063 0.000 1.142 86 G CA 0.744 45.873 45.100 0.048 0.000 0.793 86 G HN 0.712 nan 8.290 nan 0.000 0.534 87 A N -1.006 121.857 122.820 0.071 0.000 2.606 87 A HA 0.686 5.008 4.320 0.002 0.000 0.293 87 A C -2.120 175.687 177.584 0.373 0.000 1.082 87 A CA -0.720 51.433 52.037 0.193 0.000 0.685 87 A CB 1.253 20.365 19.000 0.187 0.000 1.284 87 A HN 0.373 nan 8.150 nan 0.000 0.408 88 Y N 1.087 121.603 120.300 0.360 0.000 2.346 88 Y HA 0.649 5.201 4.550 0.002 0.000 0.332 88 Y C -0.137 176.070 175.900 0.511 0.000 0.985 88 Y CA -0.623 57.724 58.100 0.412 0.000 1.112 88 Y CB 1.273 39.908 38.460 0.291 0.000 1.170 88 Y HN 0.829 nan 8.280 nan 0.000 0.447 89 R N 7.559 128.098 120.500 0.065 0.000 2.255 89 R HA 0.473 4.815 4.340 0.002 0.000 0.326 89 R C -1.799 174.238 176.300 -0.439 0.000 0.986 89 R CA -0.350 55.594 56.100 -0.260 0.000 0.847 89 R CB 0.493 30.567 30.300 -0.375 0.000 1.111 89 R HN 0.646 nan 8.270 nan 0.000 0.452 90 F N 0.654 120.285 119.950 -0.532 0.000 2.650 90 F HA 0.643 5.171 4.527 0.002 0.000 0.320 90 F C -0.890 174.832 175.800 -0.130 0.000 1.091 90 F CA -1.176 56.602 58.000 -0.369 0.000 0.962 90 F CB 1.418 40.188 39.000 -0.385 0.000 1.363 90 F HN 0.399 nan 8.300 nan 0.000 0.482 91 S N 1.171 116.929 115.700 0.096 0.000 2.607 91 S HA 0.786 5.257 4.470 0.002 0.000 0.303 91 S C -1.130 173.564 174.600 0.155 0.000 1.086 91 S CA -0.854 57.373 58.200 0.046 0.000 0.995 91 S CB 1.546 64.832 63.200 0.144 0.000 1.084 91 S HN 0.793 nan 8.310 nan 0.000 0.507 92 L N 1.949 123.182 121.223 0.017 0.000 2.289 92 L HA 0.622 4.963 4.340 0.002 0.000 0.285 92 L C 0.461 177.446 176.870 0.191 0.000 1.049 92 L CA -0.925 53.800 54.840 -0.191 0.000 0.804 92 L CB 1.267 43.187 42.059 -0.230 0.000 1.195 92 L HN 0.923 nan 8.230 nan 0.000 0.428 93 A N 2.868 125.868 122.820 0.299 0.000 2.376 93 A HA 0.027 4.349 4.320 0.002 0.000 0.298 93 A C 0.590 178.434 177.584 0.432 0.000 1.271 93 A CA -0.419 51.860 52.037 0.404 0.000 0.926 93 A CB -0.155 19.088 19.000 0.406 0.000 1.141 93 A HN 0.940 nan 8.150 nan 0.000 0.539 94 W N 4.993 126.386 121.300 0.155 0.000 2.325 94 W HA -0.083 4.579 4.660 0.003 0.000 0.299 94 W C -1.574 174.942 176.519 -0.005 0.000 1.215 94 W CA 1.794 59.063 57.345 -0.127 0.000 1.244 94 W CB -1.480 27.769 29.460 -0.352 0.000 1.140 94 W HN 0.546 nan 8.180 nan 0.000 0.523 95 P HA -0.166 nan 4.420 nan 0.000 0.218 95 P C 1.573 178.958 177.300 0.143 0.000 1.148 95 P CA 2.465 65.632 63.100 0.111 0.000 0.822 95 P CB -0.167 31.592 31.700 0.098 0.000 0.784 96 R N -1.283 119.348 120.500 0.218 0.000 2.127 96 R HA 0.127 4.469 4.340 0.002 0.000 0.217 96 R C 2.204 178.664 176.300 0.267 0.000 1.074 96 R CA 0.871 57.092 56.100 0.202 0.000 0.991 96 R CB -0.455 29.993 30.300 0.246 0.000 0.895 96 R HN 0.250 nan 8.270 nan 0.000 0.450 97 I N -0.351 120.434 120.570 0.359 0.000 2.480 97 I HA -0.107 4.064 4.170 0.002 0.000 0.251 97 I C 0.972 177.284 176.117 0.326 0.000 1.124 97 I CA 0.960 62.484 61.300 0.373 0.000 1.444 97 I CB 0.256 38.542 38.000 0.476 0.000 1.098 97 I HN 0.078 nan 8.210 nan 0.000 0.428 98 Q N -0.071 119.944 119.800 0.358 0.000 3.412 98 Q HA 0.200 4.542 4.340 0.002 0.000 0.219 98 Q C -2.056 174.013 176.000 0.115 0.000 0.913 98 Q CA -1.545 54.429 55.803 0.286 0.000 0.722 98 Q CB 1.573 30.594 28.738 0.471 0.000 1.385 98 Q HN -0.071 nan 8.270 nan 0.000 0.461 99 P HA -0.273 nan 4.420 nan 0.000 0.219 99 P C 1.034 178.274 177.300 -0.100 0.000 1.158 99 P CA 2.282 65.375 63.100 -0.012 0.000 0.895 99 P CB 0.183 31.890 31.700 0.011 0.000 0.792 100 T N -6.621 107.878 114.554 -0.092 0.000 3.060 100 T HA 0.386 4.737 4.350 0.002 0.000 0.249 100 T C 1.474 176.033 174.700 -0.235 0.000 1.079 100 T CA 0.477 62.493 62.100 -0.140 0.000 1.013 100 T CB -0.337 68.484 68.868 -0.079 0.000 0.975 100 T HN 0.289 nan 8.240 nan 0.000 0.518 101 G N 2.190 110.826 108.800 -0.274 0.000 2.175 101 G HA2 -0.217 3.745 3.960 0.002 0.000 0.244 101 G HA3 -0.217 3.745 3.960 0.002 0.000 0.244 101 G C 0.066 174.988 174.900 0.035 0.000 0.982 101 G CA 0.037 44.901 45.100 -0.393 0.000 0.641 101 G HN 1.002 nan 8.290 nan 0.000 0.527 102 R N -1.573 118.957 120.500 0.049 0.000 2.733 102 R HA 0.724 5.065 4.340 0.002 0.000 0.272 102 R C 0.652 176.998 176.300 0.076 0.000 1.029 102 R CA 0.073 56.224 56.100 0.086 0.000 0.888 102 R CB 0.871 31.188 30.300 0.028 0.000 1.251 102 R HN 1.881 nan 8.270 nan 0.000 0.464 103 G N 0.588 109.431 108.800 0.073 0.000 2.545 103 G HA2 -0.123 3.839 3.960 0.002 0.000 0.216 103 G HA3 -0.123 3.839 3.960 0.002 0.000 0.216 103 G C -2.446 172.501 174.900 0.078 0.000 1.314 103 G CA -0.407 44.729 45.100 0.060 0.000 0.906 103 G HN 0.755 nan 8.290 nan 0.000 0.563 104 P HA 0.510 nan 4.420 nan 0.000 0.268 104 P C 0.058 177.419 177.300 0.102 0.000 1.204 104 P CA 0.799 63.944 63.100 0.074 0.000 0.768 104 P CB 0.944 32.679 31.700 0.060 0.000 0.842 105 A N 4.271 127.158 122.820 0.112 0.000 2.354 105 A HA 0.397 4.718 4.320 0.002 0.000 0.269 105 A C 0.275 177.939 177.584 0.133 0.000 1.109 105 A CA -0.716 51.409 52.037 0.146 0.000 0.800 105 A CB 0.022 19.110 19.000 0.147 0.000 1.045 105 A HN 0.609 nan 8.150 nan 0.000 0.489 106 L N 2.567 123.882 121.223 0.154 0.000 2.281 106 L HA 0.128 4.470 4.340 0.002 0.000 0.285 106 L C 1.231 178.191 176.870 0.151 0.000 1.074 106 L CA -0.590 54.333 54.840 0.138 0.000 0.817 106 L CB 1.175 43.316 42.059 0.138 0.000 1.168 106 L HN 0.827 nan 8.230 nan 0.000 0.434 107 Q N 2.251 122.125 119.800 0.124 0.000 2.124 107 Q HA -0.159 4.183 4.340 0.002 0.000 0.202 107 Q C 1.740 177.822 176.000 0.137 0.000 0.977 107 Q CA 1.430 57.306 55.803 0.122 0.000 0.850 107 Q CB 0.035 28.829 28.738 0.093 0.000 0.901 107 Q HN 0.544 nan 8.270 nan 0.000 0.429 108 K N -0.355 120.126 120.400 0.134 0.000 2.103 108 K HA -0.123 4.198 4.320 0.002 0.000 0.207 108 K C 2.067 178.788 176.600 0.202 0.000 1.048 108 K CA 1.222 57.597 56.287 0.148 0.000 0.930 108 K CB -0.299 32.285 32.500 0.139 0.000 0.716 108 K HN 0.288 nan 8.250 nan 0.000 0.444 109 G N 1.029 109.965 108.800 0.225 0.000 2.404 109 G HA2 -0.207 3.755 3.960 0.002 0.000 0.215 109 G HA3 -0.207 3.755 3.960 0.002 0.000 0.215 109 G C 1.450 176.596 174.900 0.411 0.000 1.174 109 G CA 0.439 45.727 45.100 0.314 0.000 0.780 109 G HN 0.100 nan 8.290 nan 0.000 0.537 110 L N 0.384 121.807 121.223 0.333 0.000 2.093 110 L HA -0.025 4.317 4.340 0.002 0.000 0.208 110 L C 2.447 179.462 176.870 0.242 0.000 1.085 110 L CA 0.904 55.943 54.840 0.330 0.000 0.755 110 L CB -0.294 41.901 42.059 0.227 0.000 0.904 110 L HN 0.076 nan 8.230 nan 0.000 0.435 111 D N -0.253 120.245 120.400 0.162 0.000 2.144 111 D HA -0.221 4.420 4.640 0.002 0.000 0.199 111 D C 1.858 178.133 176.300 -0.041 0.000 0.984 111 D CA 1.080 55.120 54.000 0.067 0.000 0.834 111 D CB -0.177 40.661 40.800 0.063 0.000 0.955 111 D HN 0.199 nan 8.370 nan 0.000 0.465 112 F N 0.658 120.488 119.950 -0.200 0.000 2.069 112 F HA -0.284 4.244 4.527 0.003 0.000 0.298 112 F C 2.004 177.432 175.800 -0.620 0.000 1.113 112 F CA 1.543 59.222 58.000 -0.536 0.000 1.214 112 F CB -0.715 37.935 39.000 -0.584 0.000 0.978 112 F HN -0.001 nan 8.300 nan 0.000 0.474 113 Y N 0.017 120.194 120.300 -0.206 0.000 2.293 113 Y HA -0.087 4.465 4.550 0.002 0.000 0.291 113 Y C 2.621 178.381 175.900 -0.233 0.000 1.137 113 Y CA 1.340 59.283 58.100 -0.262 0.000 1.202 113 Y CB -0.543 37.987 38.460 0.117 0.000 0.990 113 Y HN -0.045 nan 8.280 nan 0.000 0.537 114 R N 0.028 120.519 120.500 -0.016 0.000 2.073 114 R HA -0.154 4.187 4.340 0.002 0.000 0.234 114 R C 2.351 178.576 176.300 -0.124 0.000 1.134 114 R CA 1.514 57.607 56.100 -0.012 0.000 0.952 114 R CB -0.317 29.996 30.300 0.023 0.000 0.850 114 R HN 0.277 nan 8.270 nan 0.000 0.433 115 R N 0.392 120.732 120.500 -0.265 0.000 2.091 115 R HA -0.160 4.182 4.340 0.002 0.000 0.238 115 R C 2.326 178.387 176.300 -0.398 0.000 1.136 115 R CA 1.323 57.235 56.100 -0.314 0.000 0.959 115 R CB -0.437 29.572 30.300 -0.486 0.000 0.856 115 R HN 0.117 nan 8.270 nan 0.000 0.437 116 L N 0.552 121.324 121.223 -0.752 0.000 1.994 116 L HA -0.123 4.219 4.340 0.002 0.000 0.208 116 L C 2.227 178.972 176.870 -0.209 0.000 1.071 116 L CA 2.173 56.657 54.840 -0.595 0.000 0.745 116 L CB -0.742 40.785 42.059 -0.886 0.000 0.892 116 L HN 0.133 nan 8.230 nan 0.000 0.431 117 A N -0.796 121.934 122.820 -0.150 0.000 1.908 117 A HA -0.245 4.076 4.320 0.002 0.000 0.218 117 A C 2.005 179.607 177.584 0.029 0.000 1.181 117 A CA 2.011 54.052 52.037 0.007 0.000 0.627 117 A CB -0.937 18.108 19.000 0.076 0.000 0.818 117 A HN 0.570 nan 8.150 nan 0.000 0.445 118 D N -0.834 119.573 120.400 0.011 0.000 2.117 118 D HA -0.116 4.526 4.640 0.002 0.000 0.197 118 D C 1.926 178.259 176.300 0.055 0.000 0.987 118 D CA 1.585 55.607 54.000 0.037 0.000 0.829 118 D CB -0.264 40.555 40.800 0.032 0.000 0.961 118 D HN 0.579 nan 8.370 nan 0.000 0.460 119 E N 0.423 120.673 120.200 0.084 0.000 2.072 119 E HA -0.080 4.272 4.350 0.002 0.000 0.191 119 E C 2.205 178.839 176.600 0.056 0.000 0.985 119 E CA 0.617 57.075 56.400 0.097 0.000 0.801 119 E CB -0.284 29.549 29.700 0.221 0.000 0.750 119 E HN 0.218 nan 8.360 nan 0.000 0.452 120 L N -0.092 121.168 121.223 0.061 0.000 1.989 120 L HA -0.197 4.145 4.340 0.002 0.000 0.211 120 L C 2.562 179.472 176.870 0.067 0.000 1.071 120 L CA 1.157 56.038 54.840 0.068 0.000 0.749 120 L CB -0.519 41.611 42.059 0.118 0.000 0.890 120 L HN 0.210 nan 8.230 nan 0.000 0.431 121 L N -0.413 120.851 121.223 0.068 0.000 2.046 121 L HA -0.205 4.137 4.340 0.002 0.000 0.208 121 L C 2.849 179.744 176.870 0.043 0.000 1.077 121 L CA 1.133 56.009 54.840 0.060 0.000 0.747 121 L CB -0.744 41.351 42.059 0.060 0.000 0.896 121 L HN 0.265 nan 8.230 nan 0.000 0.432 122 A N -0.176 122.666 122.820 0.036 0.000 2.024 122 A HA -0.192 4.130 4.320 0.002 0.000 0.220 122 A C 1.984 179.577 177.584 0.015 0.000 1.164 122 A CA 1.514 53.565 52.037 0.023 0.000 0.643 122 A CB -0.266 18.745 19.000 0.019 0.000 0.806 122 A HN 0.372 nan 8.150 nan 0.000 0.451 123 K N -1.404 119.006 120.400 0.016 0.000 2.440 123 K HA 0.312 4.634 4.320 0.002 0.000 0.206 123 K C 0.740 177.350 176.600 0.016 0.000 1.025 123 K CA 0.323 56.614 56.287 0.007 0.000 1.135 123 K CB 0.134 32.630 32.500 -0.006 0.000 0.856 123 K HN 0.549 nan 8.250 nan 0.000 0.502 124 G N 2.003 110.820 108.800 0.028 0.000 2.198 124 G HA2 -0.267 3.694 3.960 0.002 0.000 0.260 124 G HA3 -0.267 3.694 3.960 0.002 0.000 0.260 124 G C 0.005 174.934 174.900 0.047 0.000 1.025 124 G CA 0.016 45.136 45.100 0.034 0.000 0.769 124 G HN 0.318 nan 8.290 nan 0.000 0.507 125 I N 0.341 120.949 120.570 0.063 0.000 2.339 125 I HA 0.263 4.435 4.170 0.002 0.000 0.290 125 I C 0.704 176.899 176.117 0.130 0.000 0.994 125 I CA -0.640 60.717 61.300 0.095 0.000 1.191 125 I CB 1.693 39.754 38.000 0.102 0.000 1.343 125 I HN 0.175 nan 8.210 nan 0.000 0.458 126 Q N 8.080 127.963 119.800 0.139 0.000 2.286 126 Q HA 0.249 4.590 4.340 0.002 0.000 0.267 126 Q C -2.377 173.755 176.000 0.220 0.000 1.028 126 Q CA -1.511 54.381 55.803 0.148 0.000 0.901 126 Q CB 0.964 29.773 28.738 0.118 0.000 1.183 126 Q HN 0.277 nan 8.270 nan 0.000 0.392 127 P HA 0.123 nan 4.420 nan 0.000 0.286 127 P C -1.391 175.946 177.300 0.061 0.000 1.269 127 P CA -0.242 63.029 63.100 0.285 0.000 0.787 127 P CB 1.110 32.971 31.700 0.268 0.000 0.920 128 V N 3.118 123.001 119.914 -0.052 0.000 2.380 128 V HA 0.631 4.753 4.120 0.002 0.000 0.286 128 V C 0.040 175.663 176.094 -0.785 0.000 1.015 128 V CA -0.782 61.326 62.300 -0.320 0.000 0.834 128 V CB 1.319 33.009 31.823 -0.223 0.000 1.009 128 V HN 0.609 nan 8.190 nan 0.000 0.428 129 A N 3.304 125.538 122.820 -0.977 0.000 2.304 129 A HA 0.809 5.131 4.320 0.002 0.000 0.323 129 A C 0.158 177.370 177.584 -0.621 0.000 1.195 129 A CA -0.425 50.891 52.037 -1.203 0.000 0.826 129 A CB 0.945 19.134 19.000 -1.352 0.000 1.184 129 A HN 0.655 nan 8.150 nan 0.000 0.496 130 T N 3.742 118.031 114.554 -0.441 0.000 2.749 130 T HA 0.351 4.702 4.350 0.002 0.000 0.287 130 T C 1.425 176.146 174.700 0.034 0.000 0.970 130 T CA -0.310 61.719 62.100 -0.118 0.000 0.980 130 T CB 0.742 69.583 68.868 -0.045 0.000 0.924 130 T HN 0.495 nan 8.240 nan 0.000 0.456 131 L N 2.112 123.449 121.223 0.190 0.000 2.027 131 L HA 0.057 4.399 4.340 0.002 0.000 0.206 131 L C 0.471 177.725 176.870 0.641 0.000 1.074 131 L CA 1.244 56.279 54.840 0.324 0.000 0.745 131 L CB -0.067 42.144 42.059 0.253 0.000 0.898 131 L HN 0.621 nan 8.230 nan 0.000 0.433 132 Y N -0.873 119.702 120.300 0.457 0.000 2.332 132 Y HA 0.275 4.826 4.550 0.002 0.000 0.326 132 Y C -0.275 175.806 175.900 0.302 0.000 0.978 132 Y CA -0.797 57.573 58.100 0.449 0.000 1.205 132 Y CB 0.766 39.461 38.460 0.391 0.000 1.131 132 Y HN 0.003 nan 8.280 nan 0.000 0.462 133 H N 6.660 125.579 119.070 -0.251 0.000 2.500 133 H HA 0.184 4.741 4.556 0.002 0.000 0.243 133 H C -0.750 174.271 175.328 -0.512 0.000 1.318 133 H CA -0.292 55.502 56.048 -0.424 0.000 1.077 133 H CB 0.032 29.634 29.762 -0.268 0.000 1.748 133 H HN 0.904 nan 8.280 nan 0.000 0.556 134 W N -0.239 120.463 121.300 -0.996 0.000 1.277 134 W HA -0.246 4.416 4.660 0.003 0.000 0.236 134 W C -0.120 176.375 176.519 -0.040 0.000 0.973 134 W CA 0.772 57.781 57.345 -0.560 0.000 0.390 134 W CB -2.052 27.207 29.460 -0.336 0.000 1.977 134 W HN 0.583 nan 8.180 nan 0.000 1.223 135 D N 1.578 122.106 120.400 0.213 0.000 2.688 135 D HA 0.358 4.999 4.640 0.002 0.000 0.228 135 D C 0.310 176.843 176.300 0.388 0.000 1.116 135 D CA -0.184 54.017 54.000 0.334 0.000 1.023 135 D CB -0.405 40.574 40.800 0.299 0.000 1.100 135 D HN 0.134 nan 8.370 nan 0.000 0.487 136 L N 1.281 122.790 121.223 0.475 0.000 2.410 136 L HA 0.279 4.621 4.340 0.002 0.000 0.273 136 L C -2.421 174.414 176.870 -0.058 0.000 1.152 136 L CA -1.486 53.539 54.840 0.308 0.000 0.855 136 L CB 0.431 42.669 42.059 0.299 0.000 1.129 136 L HN -0.042 nan 8.230 nan 0.000 0.463 137 P HA -0.015 nan 4.420 nan 0.000 0.262 137 P C -0.196 176.938 177.300 -0.277 0.000 1.182 137 P CA 0.149 63.024 63.100 -0.375 0.000 0.761 137 P CB 0.666 31.954 31.700 -0.686 0.000 0.795 138 Q N 3.530 123.224 119.800 -0.177 0.000 2.152 138 Q HA -0.259 4.082 4.340 0.002 0.000 0.206 138 Q C 1.339 177.240 176.000 -0.165 0.000 0.985 138 Q CA 2.056 57.772 55.803 -0.146 0.000 0.863 138 Q CB -0.551 28.127 28.738 -0.101 0.000 0.904 138 Q HN 0.381 nan 8.270 nan 0.000 0.422 139 E N -0.241 119.852 120.200 -0.178 0.000 2.130 139 E HA -0.161 4.191 4.350 0.002 0.000 0.196 139 E C 1.817 178.298 176.600 -0.199 0.000 0.998 139 E CA 1.294 57.594 56.400 -0.166 0.000 0.806 139 E CB -0.239 29.368 29.700 -0.156 0.000 0.738 139 E HN 0.394 nan 8.360 nan 0.000 0.459 140 L N 0.271 121.325 121.223 -0.281 0.000 2.141 140 L HA -0.141 4.200 4.340 0.002 0.000 0.209 140 L C 2.387 179.099 176.870 -0.264 0.000 1.094 140 L CA 1.077 55.725 54.840 -0.319 0.000 0.763 140 L CB -0.270 41.494 42.059 -0.491 0.000 0.908 140 L HN 0.126 nan 8.230 nan 0.000 0.437 141 E N 0.755 120.822 120.200 -0.220 0.000 2.107 141 E HA -0.170 4.182 4.350 0.002 0.000 0.191 141 E C 1.874 178.403 176.600 -0.118 0.000 0.982 141 E CA 1.146 57.457 56.400 -0.148 0.000 0.809 141 E CB -0.047 29.578 29.700 -0.125 0.000 0.756 141 E HN 0.288 nan 8.360 nan 0.000 0.459 142 N N 0.445 119.072 118.700 -0.122 0.000 2.166 142 N HA -0.123 4.619 4.740 0.002 0.000 0.186 142 N C 1.282 176.734 175.510 -0.097 0.000 1.019 142 N CA 1.464 54.455 53.050 -0.098 0.000 0.856 142 N CB -0.463 37.969 38.487 -0.093 0.000 0.993 142 N HN 0.287 nan 8.380 nan 0.000 0.426 143 A N -0.732 122.017 122.820 -0.118 0.000 2.235 143 A HA 0.425 4.746 4.320 0.002 0.000 0.208 143 A C 1.540 179.055 177.584 -0.115 0.000 1.172 143 A CA 1.120 53.089 52.037 -0.113 0.000 0.786 143 A CB -0.134 18.790 19.000 -0.127 0.000 0.804 143 A HN 0.380 nan 8.150 nan 0.000 0.479 144 G N -3.076 105.655 108.800 -0.114 0.000 2.901 144 G HA2 0.366 4.327 3.960 0.002 0.000 0.194 144 G HA3 0.366 4.327 3.960 0.002 0.000 0.194 144 G C 1.294 176.131 174.900 -0.105 0.000 1.020 144 G CA 0.595 45.632 45.100 -0.105 0.000 0.787 144 G HN 2.128 nan 8.290 nan 0.000 0.477 145 G N -0.679 108.028 108.800 -0.156 0.000 2.645 145 G HA2 -0.221 3.741 3.960 0.002 0.000 0.239 145 G HA3 -0.221 3.741 3.960 0.002 0.000 0.239 145 G C 0.676 175.398 174.900 -0.296 0.000 1.331 145 G CA 0.569 45.572 45.100 -0.160 0.000 0.890 145 G HN 0.945 nan 8.290 nan 0.000 0.572 146 W N 0.469 121.640 121.300 -0.215 0.000 2.421 146 W HA 0.142 4.803 4.660 0.002 0.000 0.270 146 W C -0.408 175.950 176.519 -0.268 0.000 1.233 146 W CA 1.553 58.717 57.345 -0.301 0.000 1.226 146 W CB -0.662 28.571 29.460 -0.378 0.000 1.121 146 W HN 0.424 nan 8.180 nan 0.000 0.579 147 P HA -0.084 nan 4.420 nan 0.000 0.237 147 P C -0.009 177.324 177.300 0.055 0.000 1.178 147 P CA 1.132 64.097 63.100 -0.225 0.000 0.766 147 P CB 0.262 31.733 31.700 -0.381 0.000 0.876 148 E N -0.045 120.128 120.200 -0.043 0.000 2.156 148 E HA 0.172 4.524 4.350 0.002 0.000 0.279 148 E C 1.203 177.546 176.600 -0.428 0.000 0.965 148 E CA -0.578 55.729 56.400 -0.155 0.000 0.789 148 E CB 0.413 30.014 29.700 -0.165 0.000 1.098 148 E HN 0.033 nan 8.360 nan 0.000 0.397 149 R N 3.082 123.209 120.500 -0.621 0.000 2.119 149 R HA -0.249 4.093 4.340 0.002 0.000 0.246 149 R C 2.204 178.291 176.300 -0.355 0.000 1.146 149 R CA 2.074 57.727 56.100 -0.745 0.000 0.962 149 R CB -0.533 29.575 30.300 -0.320 0.000 0.863 149 R HN 0.656 nan 8.270 nan 0.000 0.442 150 A N -0.015 122.666 122.820 -0.230 0.000 1.958 150 A HA -0.215 4.106 4.320 0.002 0.000 0.221 150 A C 2.128 179.623 177.584 -0.149 0.000 1.178 150 A CA 2.278 54.227 52.037 -0.147 0.000 0.642 150 A CB -0.971 17.954 19.000 -0.124 0.000 0.816 150 A HN 0.509 nan 8.150 nan 0.000 0.453 151 T N -0.732 113.672 114.554 -0.250 0.000 2.720 151 T HA 0.279 4.630 4.350 0.002 0.000 0.268 151 T C 0.869 175.459 174.700 -0.183 0.000 1.037 151 T CA 1.667 63.559 62.100 -0.347 0.000 1.144 151 T CB -0.315 68.131 68.868 -0.704 0.000 0.864 151 T HN 1.293 nan 8.240 nan 0.000 0.444 152 A N -1.159 121.623 122.820 -0.063 0.000 0.000 152 A HA 0.611 4.932 4.320 0.002 0.000 0.000 152 A C -0.629 nan 177.584 nan 0.000 0.000 152 A CA -0.497 51.656 52.037 0.195 0.000 0.000 152 A CB 0.424 19.529 19.000 0.174 0.000 0.000 152 A HN -0.028 nan 8.150 nan 0.000 0.000 153 E N -1.504 118.737 120.200 0.069 0.000 0.000 153 E HA -0.010 4.342 4.350 0.002 0.000 0.000 153 E C 1.438 178.092 176.600 0.090 0.000 0.000 153 E CA 0.101 56.536 56.400 0.059 0.000 0.000 153 E CB -0.427 29.281 29.700 0.013 0.000 0.000 153 E HN 0.552 nan 8.360 nan 0.000 0.000 154 R N 0.736 121.307 120.500 0.119 0.000 2.120 154 R HA -0.030 4.312 4.340 0.002 0.000 0.234 154 R C 2.226 178.719 176.300 0.321 0.000 1.123 154 R CA 1.257 57.489 56.100 0.220 0.000 0.975 154 R CB -0.415 30.021 30.300 0.228 0.000 0.866 154 R HN 0.097 nan 8.270 nan 0.000 0.446 155 F N 1.651 121.704 119.950 0.171 0.000 2.134 155 F HA -0.147 4.381 4.527 0.003 0.000 0.299 155 F C 2.270 178.042 175.800 -0.047 0.000 1.097 155 F CA 1.223 59.226 58.000 0.006 0.000 1.264 155 F CB -0.434 38.666 39.000 0.166 0.000 1.001 155 F HN -0.022 nan 8.300 nan 0.000 0.479 156 A N -0.014 122.724 122.820 -0.137 0.000 1.933 156 A HA -0.184 4.137 4.320 0.002 0.000 0.218 156 A C 2.155 179.575 177.584 -0.273 0.000 1.175 156 A CA 1.771 53.636 52.037 -0.286 0.000 0.628 156 A CB -0.866 18.070 19.000 -0.106 0.000 0.814 156 A HN 0.557 nan 8.150 nan 0.000 0.444 157 E N -1.709 118.412 120.200 -0.132 0.000 2.150 157 E HA -0.185 4.167 4.350 0.002 0.000 0.193 157 E C 1.780 178.309 176.600 -0.119 0.000 0.985 157 E CA 1.259 57.604 56.400 -0.092 0.000 0.814 157 E CB -0.252 29.450 29.700 0.004 0.000 0.752 157 E HN 0.830 nan 8.360 nan 0.000 0.466 158 Y N 1.052 121.149 120.300 -0.338 0.000 2.242 158 Y HA -0.094 4.458 4.550 0.003 0.000 0.291 158 Y C 2.050 177.660 175.900 -0.483 0.000 1.137 158 Y CA 1.100 58.920 58.100 -0.467 0.000 1.181 158 Y CB -0.455 37.395 38.460 -1.016 0.000 0.989 158 Y HN -0.043 nan 8.280 nan 0.000 0.527 159 A N 0.879 123.217 122.820 -0.804 0.000 1.933 159 A HA -0.055 4.267 4.320 0.002 0.000 0.218 159 A C 2.465 179.685 177.584 -0.606 0.000 1.175 159 A CA 1.873 53.405 52.037 -0.842 0.000 0.628 159 A CB -1.445 17.075 19.000 -0.800 0.000 0.814 159 A HN 0.618 nan 8.150 nan 0.000 0.444 160 A N -0.046 122.516 122.820 -0.431 0.000 1.898 160 A HA -0.055 4.266 4.320 0.002 0.000 0.216 160 A C 2.113 179.542 177.584 -0.259 0.000 1.181 160 A CA 1.426 53.273 52.037 -0.318 0.000 0.620 160 A CB -0.589 18.281 19.000 -0.216 0.000 0.819 160 A HN 0.485 nan 8.150 nan 0.000 0.442 161 I N -0.194 120.249 120.570 -0.213 0.000 2.163 161 I HA -0.333 3.839 4.170 0.002 0.000 0.243 161 I C 3.014 179.057 176.117 -0.124 0.000 1.085 161 I CA 1.222 62.456 61.300 -0.111 0.000 1.347 161 I CB -0.366 37.626 38.000 -0.013 0.000 1.044 161 I HN 0.377 nan 8.210 nan 0.000 0.408 162 A N 0.640 123.310 122.820 -0.250 0.000 1.877 162 A HA -0.199 4.123 4.320 0.002 0.000 0.216 162 A C 2.538 180.070 177.584 -0.087 0.000 1.186 162 A CA 2.010 53.962 52.037 -0.142 0.000 0.620 162 A CB -0.970 17.867 19.000 -0.271 0.000 0.822 162 A HN 0.452 nan 8.150 nan 0.000 0.443 163 A N -0.230 122.332 122.820 -0.429 0.000 1.902 163 A HA -0.198 4.124 4.320 0.002 0.000 0.217 163 A C 1.804 179.281 177.584 -0.178 0.000 1.181 163 A CA 1.995 53.722 52.037 -0.517 0.000 0.623 163 A CB -0.620 17.971 19.000 -0.683 0.000 0.818 163 A HN 0.463 nan 8.150 nan 0.000 0.443 164 D N -0.117 120.199 120.400 -0.140 0.000 2.117 164 D HA -0.033 4.609 4.640 0.002 0.000 0.197 164 D C 2.185 178.491 176.300 0.009 0.000 0.987 164 D CA 1.597 55.561 54.000 -0.060 0.000 0.829 164 D CB -0.326 40.441 40.800 -0.056 0.000 0.961 164 D HN 0.422 nan 8.370 nan 0.000 0.460 165 A N -0.311 122.533 122.820 0.041 0.000 1.970 165 A HA 0.045 4.367 4.320 0.002 0.000 0.216 165 A C 1.996 179.661 177.584 0.135 0.000 1.170 165 A CA 0.688 52.779 52.037 0.090 0.000 0.645 165 A CB -0.134 18.934 19.000 0.113 0.000 0.816 165 A HN 0.237 nan 8.150 nan 0.000 0.447 166 L N -1.622 119.721 121.223 0.201 0.000 2.858 166 L HA 0.236 4.577 4.340 0.002 0.000 0.251 166 L C 2.232 179.294 176.870 0.320 0.000 1.149 166 L CA 0.306 55.307 54.840 0.268 0.000 0.955 166 L CB 0.180 42.444 42.059 0.342 0.000 1.289 166 L HN 0.363 nan 8.230 nan 0.000 0.542 167 G N 0.259 109.204 108.800 0.241 0.000 2.469 167 G HA2 -0.290 3.672 3.960 0.002 0.000 0.220 167 G HA3 -0.290 3.672 3.960 0.002 0.000 0.220 167 G C 1.014 176.016 174.900 0.169 0.000 1.136 167 G CA 1.372 46.592 45.100 0.201 0.000 0.759 167 G HN 0.340 nan 8.290 nan 0.000 0.562 168 D N -0.512 119.962 120.400 0.123 0.000 2.363 168 D HA 0.099 4.740 4.640 0.002 0.000 0.220 168 D C 2.537 178.899 176.300 0.103 0.000 0.994 168 D CA 0.876 54.933 54.000 0.096 0.000 0.890 168 D CB 0.141 40.983 40.800 0.070 0.000 0.906 168 D HN 0.500 nan 8.370 nan 0.000 0.530 169 R N -0.623 119.954 120.500 0.127 0.000 2.243 169 R HA 0.229 4.570 4.340 0.002 0.000 0.193 169 R C 0.368 176.733 176.300 0.108 0.000 0.933 169 R CA 0.076 56.241 56.100 0.108 0.000 1.105 169 R CB 0.814 31.173 30.300 0.098 0.000 1.169 169 R HN 0.126 nan 8.270 nan 0.000 0.599 170 V N 2.166 122.155 119.914 0.125 0.000 2.364 170 V HA 0.137 4.259 4.120 0.002 0.000 0.272 170 V C 0.365 176.552 176.094 0.156 0.000 1.036 170 V CA -0.240 62.060 62.300 -0.001 0.000 0.880 170 V CB 1.459 33.076 31.823 -0.343 0.000 0.991 170 V HN 0.075 nan 8.190 nan 0.000 0.460 171 K N 1.595 122.054 120.400 0.099 0.000 2.358 171 K HA 0.228 4.550 4.320 0.002 0.000 0.200 171 K C 0.510 177.248 176.600 0.230 0.000 1.030 171 K CA 0.001 56.416 56.287 0.214 0.000 1.097 171 K CB 1.088 33.675 32.500 0.144 0.000 0.862 171 K HN 0.781 nan 8.250 nan 0.000 0.534 172 T N 1.320 115.898 114.554 0.040 0.000 2.815 172 T HA 0.532 4.883 4.350 0.002 0.000 0.289 172 T C -1.189 173.433 174.700 -0.130 0.000 1.000 172 T CA -0.603 61.554 62.100 0.096 0.000 0.958 172 T CB 0.563 69.472 68.868 0.068 0.000 0.944 172 T HN 0.276 nan 8.240 nan 0.000 0.442 173 W N 1.428 122.727 121.300 -0.003 0.000 2.761 173 W HA 0.617 5.279 4.660 0.002 0.000 0.340 173 W C -0.092 176.347 176.519 -0.133 0.000 1.072 173 W CA -0.631 56.657 57.345 -0.094 0.000 1.215 173 W CB 1.754 31.144 29.460 -0.116 0.000 1.420 173 W HN 0.364 nan 8.180 nan 0.000 0.519 174 T N 0.603 115.216 114.554 0.099 0.000 2.879 174 T HA 0.221 4.573 4.350 0.002 0.000 0.290 174 T C 0.962 175.739 174.700 0.128 0.000 0.993 174 T CA -0.451 61.660 62.100 0.018 0.000 0.975 174 T CB 1.636 70.465 68.868 -0.064 0.000 0.981 174 T HN 0.534 nan 8.240 nan 0.000 0.439 175 T N 2.005 116.663 114.554 0.172 0.000 2.643 175 T HA 0.198 4.549 4.350 0.002 0.000 0.256 175 T C 0.685 175.623 174.700 0.397 0.000 1.061 175 T CA 0.536 62.848 62.100 0.355 0.000 1.163 175 T CB -0.335 68.794 68.868 0.435 0.000 0.865 175 T HN 0.414 nan 8.240 nan 0.000 0.407 176 L N 1.246 122.587 121.223 0.198 0.000 2.341 176 L HA 0.622 4.964 4.340 0.002 0.000 0.267 176 L C -0.760 176.086 176.870 -0.040 0.000 1.009 176 L CA -1.193 53.698 54.840 0.085 0.000 0.819 176 L CB 1.745 43.758 42.059 -0.077 0.000 1.323 176 L HN 0.225 nan 8.230 nan 0.000 0.425 177 N N 0.616 119.259 118.700 -0.094 0.000 2.443 177 N HA 0.209 4.951 4.740 0.002 0.000 0.269 177 N C -1.081 174.360 175.510 -0.114 0.000 0.985 177 N CA -0.330 52.558 53.050 -0.269 0.000 0.921 177 N CB 0.846 38.871 38.487 -0.770 0.000 1.195 177 N HN 0.595 nan 8.380 nan 0.000 0.492 178 E N 2.189 122.329 120.200 -0.099 0.000 2.332 178 E HA -0.168 4.184 4.350 0.002 0.000 0.162 178 E C -1.775 174.789 176.600 -0.059 0.000 1.637 178 E CA 0.098 56.499 56.400 0.002 0.000 0.654 178 E CB -0.375 29.444 29.700 0.199 0.000 1.072 178 E HN 0.667 nan 8.360 nan 0.000 0.336 179 P HA -0.205 nan 4.420 nan 0.000 0.222 179 P C 1.243 178.326 177.300 -0.361 0.000 1.147 179 P CA 1.056 63.832 63.100 -0.539 0.000 0.790 179 P CB -0.009 31.137 31.700 -0.922 0.000 0.780 180 W N 1.094 122.192 121.300 -0.336 0.000 2.335 180 W HA -0.222 4.440 4.660 0.002 0.000 0.311 180 W C 2.237 178.802 176.519 0.078 0.000 1.213 180 W CA 1.793 59.300 57.345 0.270 0.000 1.274 180 W CB -0.927 28.708 29.460 0.292 0.000 1.148 180 W HN -0.033 nan 8.180 nan 0.000 0.498 181 C N -0.417 118.943 119.300 0.100 0.000 2.432 181 C HA -0.182 4.279 4.460 0.002 0.000 0.277 181 C C 2.868 177.491 174.990 -0.611 0.000 1.249 181 C CA 1.472 60.333 59.018 -0.263 0.000 1.725 181 C CB -1.481 26.090 27.740 -0.281 0.000 2.028 181 C HN 0.358 nan 8.230 nan 0.000 0.477 182 S N 0.994 116.302 115.700 -0.654 0.000 2.365 182 S HA -0.184 4.287 4.470 0.002 0.000 0.225 182 S C 2.173 176.530 174.600 -0.405 0.000 1.039 182 S CA 1.779 59.620 58.200 -0.598 0.000 1.033 182 S CB -0.540 62.374 63.200 -0.476 0.000 0.887 182 S HN 0.735 nan 8.310 nan 0.000 0.447 183 A N 0.608 123.142 122.820 -0.476 0.000 1.840 183 A HA 0.107 4.428 4.320 0.002 0.000 0.214 183 A C 1.869 178.985 177.584 -0.781 0.000 1.198 183 A CA 1.187 52.862 52.037 -0.603 0.000 0.608 183 A CB -0.835 17.662 19.000 -0.837 0.000 0.839 183 A HN 0.489 nan 8.150 nan 0.000 0.443 184 F N -0.198 119.314 119.950 -0.730 0.000 2.335 184 F HA 0.133 4.661 4.527 0.002 0.000 0.296 184 F C 1.983 177.321 175.800 -0.770 0.000 1.091 184 F CA 0.644 58.119 58.000 -0.875 0.000 1.399 184 F CB -0.148 37.958 39.000 -1.490 0.000 1.067 184 F HN 0.057 nan 8.300 nan 0.000 0.520 185 L N -0.805 120.021 121.223 -0.661 0.000 2.307 185 L HA 0.113 4.455 4.340 0.002 0.000 0.211 185 L C 2.579 179.164 176.870 -0.475 0.000 1.099 185 L CA 0.971 55.480 54.840 -0.551 0.000 0.816 185 L CB -1.017 40.623 42.059 -0.699 0.000 0.952 185 L HN 0.230 nan 8.230 nan 0.000 0.455 186 G N -0.872 107.622 108.800 -0.510 0.000 2.408 186 G HA2 -0.206 3.755 3.960 0.002 0.000 0.215 186 G HA3 -0.206 3.755 3.960 0.002 0.000 0.215 186 G C 1.073 175.517 174.900 -0.759 0.000 1.156 186 G CA 0.470 45.187 45.100 -0.638 0.000 0.793 186 G HN 0.312 nan 8.290 nan 0.000 0.535 187 Y N -0.284 119.784 120.300 -0.388 0.000 2.426 187 Y HA 0.324 4.876 4.550 0.003 0.000 0.249 187 Y C 2.459 178.173 175.900 -0.309 0.000 1.103 187 Y CA -0.149 57.753 58.100 -0.330 0.000 1.256 187 Y CB 0.504 38.764 38.460 -0.333 0.000 1.208 187 Y HN 0.174 nan 8.280 nan 0.000 0.519 188 G N -0.082 108.599 108.800 -0.198 0.000 2.615 188 G HA2 -0.112 3.850 3.960 0.002 0.000 0.213 188 G HA3 -0.112 3.850 3.960 0.002 0.000 0.213 188 G C 1.590 176.421 174.900 -0.114 0.000 1.215 188 G CA 0.815 45.831 45.100 -0.141 0.000 0.843 188 G HN 0.311 nan 8.290 nan 0.000 0.571 189 S N -0.540 115.073 115.700 -0.144 0.000 2.535 189 S HA 0.360 4.831 4.470 0.002 0.000 0.214 189 S C 1.827 176.379 174.600 -0.081 0.000 0.980 189 S CA 1.050 59.214 58.200 -0.060 0.000 0.907 189 S CB 0.239 63.397 63.200 -0.070 0.000 0.790 189 S HN 1.611 nan 8.310 nan 0.000 0.510 190 G N 1.511 110.202 108.800 -0.182 0.000 2.203 190 G HA2 -0.322 3.639 3.960 0.002 0.000 0.263 190 G HA3 -0.322 3.639 3.960 0.002 0.000 0.263 190 G C 0.729 175.581 174.900 -0.080 0.000 1.012 190 G CA 0.591 45.581 45.100 -0.183 0.000 0.749 190 G HN 1.447 nan 8.290 nan 0.000 0.512 191 V N -3.526 116.335 119.914 -0.089 0.000 3.573 191 V HA 0.364 4.486 4.120 0.002 0.000 0.270 191 V C 0.894 177.072 176.094 0.140 0.000 1.221 191 V CA 1.068 63.405 62.300 0.062 0.000 1.163 191 V CB -0.507 31.324 31.823 0.014 0.000 0.847 191 V HN 0.584 nan 8.190 nan 0.000 0.468 192 H N -0.423 118.389 119.070 -0.429 0.000 2.894 192 H HA 0.757 5.315 4.556 0.002 0.000 0.368 192 H C 0.119 174.488 175.328 -1.598 0.000 1.181 192 H CA -0.742 54.817 56.048 -0.815 0.000 1.146 192 H CB 2.103 31.579 29.762 -0.477 0.000 1.839 192 H HN 0.406 nan 8.280 nan 0.000 0.557 193 A N 2.136 123.626 122.820 -2.216 0.000 2.483 193 A HA 0.058 4.380 4.320 0.002 0.000 0.238 193 A C -1.578 175.382 177.584 -1.039 0.000 1.070 193 A CA -0.876 50.078 52.037 -1.805 0.000 0.770 193 A CB -0.104 17.763 19.000 -1.888 0.000 1.008 193 A HN 0.592 nan 8.150 nan 0.000 0.497 194 P HA 0.064 nan 4.420 nan 0.000 0.245 194 P C 0.803 177.799 177.300 -0.507 0.000 1.212 194 P CA 1.157 63.873 63.100 -0.640 0.000 0.774 194 P CB 0.170 31.574 31.700 -0.494 0.000 0.999 195 G N 0.230 108.651 108.800 -0.630 0.000 2.142 195 G HA2 -0.222 3.739 3.960 0.002 0.000 0.225 195 G HA3 -0.222 3.739 3.960 0.002 0.000 0.225 195 G C 0.045 174.797 174.900 -0.247 0.000 1.015 195 G CA -0.478 44.453 45.100 -0.282 0.000 0.716 195 G HN 0.337 nan 8.290 nan 0.000 0.508 196 R N -0.052 120.226 120.500 -0.370 0.000 2.543 196 R HA 0.664 5.006 4.340 0.002 0.000 0.268 196 R C 0.468 176.614 176.300 -0.257 0.000 1.067 196 R CA 0.422 56.364 56.100 -0.263 0.000 1.142 196 R CB 0.777 30.961 30.300 -0.194 0.000 1.110 196 R HN 0.414 nan 8.270 nan 0.000 0.549 197 T N -1.394 112.995 114.554 -0.275 0.000 3.133 197 T HA 0.257 4.609 4.350 0.002 0.000 0.368 197 T C -1.163 173.368 174.700 -0.282 0.000 1.190 197 T CA -0.888 60.991 62.100 -0.368 0.000 1.282 197 T CB 0.430 68.786 68.868 -0.853 0.000 1.042 197 T HN 0.470 nan 8.240 nan 0.000 0.536 198 D N 3.584 123.892 120.400 -0.154 0.000 2.764 198 D HA 0.270 4.911 4.640 0.002 0.000 0.227 198 D C -2.053 174.190 176.300 -0.094 0.000 1.347 198 D CA -1.910 52.027 54.000 -0.105 0.000 0.953 198 D CB 3.047 43.783 40.800 -0.106 0.000 1.476 198 D HN 0.159 nan 8.370 nan 0.000 0.585 199 P HA -0.129 nan 4.420 nan 0.000 0.218 199 P C 1.492 178.719 177.300 -0.123 0.000 1.148 199 P CA 0.609 63.684 63.100 -0.042 0.000 0.822 199 P CB 0.648 32.355 31.700 0.011 0.000 0.784 200 V N 0.626 120.448 119.914 -0.153 0.000 2.453 200 V HA -0.134 3.987 4.120 0.002 0.000 0.247 200 V C 2.893 178.775 176.094 -0.353 0.000 1.048 200 V CA 1.900 64.059 62.300 -0.235 0.000 1.049 200 V CB -1.631 30.084 31.823 -0.179 0.000 0.672 200 V HN 0.098 nan 8.190 nan 0.000 0.457 201 A N 0.253 122.899 122.820 -0.290 0.000 1.902 201 A HA -0.081 4.241 4.320 0.002 0.000 0.217 201 A C 2.435 179.736 177.584 -0.472 0.000 1.181 201 A CA 1.966 53.791 52.037 -0.354 0.000 0.623 201 A CB -0.741 18.142 19.000 -0.196 0.000 0.818 201 A HN 0.541 nan 8.150 nan 0.000 0.443 202 A N -0.158 122.433 122.820 -0.381 0.000 1.877 202 A HA -0.071 4.250 4.320 0.002 0.000 0.216 202 A C 2.176 179.326 177.584 -0.723 0.000 1.186 202 A CA 1.559 53.264 52.037 -0.553 0.000 0.620 202 A CB -0.618 18.127 19.000 -0.425 0.000 0.822 202 A HN 0.474 nan 8.150 nan 0.000 0.443 203 L N -1.310 119.604 121.223 -0.515 0.000 2.093 203 L HA -0.167 4.175 4.340 0.002 0.000 0.208 203 L C 2.885 179.354 176.870 -0.669 0.000 1.085 203 L CA 1.363 55.909 54.840 -0.490 0.000 0.755 203 L CB -0.458 41.292 42.059 -0.515 0.000 0.904 203 L HN 0.363 nan 8.230 nan 0.000 0.435 204 R N -0.060 119.864 120.500 -0.961 0.000 2.075 204 R HA -0.107 4.234 4.340 0.002 0.000 0.232 204 R C 2.464 178.235 176.300 -0.881 0.000 1.126 204 R CA 1.257 56.539 56.100 -1.363 0.000 0.963 204 R CB -0.489 29.055 30.300 -1.260 0.000 0.858 204 R HN 0.326 nan 8.270 nan 0.000 0.435 205 A N 1.377 123.789 122.820 -0.680 0.000 1.908 205 A HA -0.147 4.175 4.320 0.002 0.000 0.218 205 A C 2.380 179.757 177.584 -0.345 0.000 1.181 205 A CA 1.756 53.491 52.037 -0.503 0.000 0.627 205 A CB -0.671 17.875 19.000 -0.758 0.000 0.818 205 A HN 0.404 nan 8.150 nan 0.000 0.445 206 A N -1.341 121.260 122.820 -0.366 0.000 1.933 206 A HA -0.224 4.097 4.320 0.002 0.000 0.218 206 A C 2.140 179.817 177.584 0.154 0.000 1.175 206 A CA 1.745 53.735 52.037 -0.079 0.000 0.628 206 A CB -0.917 17.999 19.000 -0.140 0.000 0.814 206 A HN 0.793 nan 8.150 nan 0.000 0.444 207 H N -1.121 117.983 119.070 0.056 0.000 2.363 207 H HA -0.110 4.448 4.556 0.002 0.000 0.301 207 H C 1.822 177.298 175.328 0.246 0.000 1.074 207 H CA 1.747 57.966 56.048 0.284 0.000 1.354 207 H CB -0.137 29.865 29.762 0.400 0.000 1.397 207 H HN 0.772 nan 8.280 nan 0.000 0.516 208 H N -0.189 118.897 119.070 0.027 0.000 2.495 208 H HA -0.027 4.531 4.556 0.002 0.000 0.287 208 H C 2.450 177.834 175.328 0.093 0.000 1.033 208 H CA 0.464 56.539 56.048 0.045 0.000 1.307 208 H CB 0.478 30.330 29.762 0.150 0.000 1.401 208 H HN 0.260 nan 8.280 nan 0.000 0.555 209 L N 0.106 121.356 121.223 0.045 0.000 2.095 209 L HA -0.124 4.218 4.340 0.002 0.000 0.204 209 L C 1.905 178.779 176.870 0.006 0.000 1.080 209 L CA 1.067 55.766 54.840 -0.234 0.000 0.759 209 L CB -0.257 41.567 42.059 -0.391 0.000 0.914 209 L HN 0.310 nan 8.230 nan 0.000 0.439 210 N N -0.226 118.553 118.700 0.131 0.000 2.120 210 N HA -0.229 4.513 4.740 0.002 0.000 0.188 210 N C 1.724 177.320 175.510 0.144 0.000 1.024 210 N CA 1.000 54.152 53.050 0.171 0.000 0.852 210 N CB -0.041 38.549 38.487 0.171 0.000 1.003 210 N HN 0.119 nan 8.380 nan 0.000 0.424 211 L N 0.854 122.102 121.223 0.042 0.000 1.988 211 L HA 0.041 4.383 4.340 0.002 0.000 0.207 211 L C 2.224 179.189 176.870 0.159 0.000 1.071 211 L CA 1.777 56.653 54.840 0.060 0.000 0.744 211 L CB -1.192 40.865 42.059 -0.003 0.000 0.893 211 L HN 0.121 nan 8.230 nan 0.000 0.433 212 G N -1.656 107.286 108.800 0.237 0.000 2.505 212 G HA2 -0.445 3.517 3.960 0.002 0.000 0.220 212 G HA3 -0.445 3.517 3.960 0.002 0.000 0.220 212 G C 1.542 176.705 174.900 0.437 0.000 1.145 212 G CA 1.361 46.703 45.100 0.403 0.000 0.761 212 G HN 0.698 nan 8.290 nan 0.000 0.571 213 H N 0.714 119.906 119.070 0.203 0.000 2.290 213 H HA -0.024 4.533 4.556 0.002 0.000 0.298 213 H C 2.696 178.104 175.328 0.132 0.000 1.087 213 H CA 2.476 58.633 56.048 0.182 0.000 1.291 213 H CB -0.824 28.969 29.762 0.050 0.000 1.369 213 H HN 0.204 nan 8.280 nan 0.000 0.492 214 G N 0.767 109.491 108.800 -0.127 0.000 2.446 214 G HA2 -0.226 3.736 3.960 0.002 0.000 0.217 214 G HA3 -0.226 3.736 3.960 0.002 0.000 0.217 214 G C 1.819 176.633 174.900 -0.144 0.000 1.168 214 G CA 1.111 46.101 45.100 -0.184 0.000 0.771 214 G HN 0.444 nan 8.290 nan 0.000 0.551 215 L N 0.605 121.805 121.223 -0.038 0.000 2.046 215 L HA -0.060 4.282 4.340 0.002 0.000 0.208 215 L C 3.424 180.219 176.870 -0.126 0.000 1.077 215 L CA 1.024 55.836 54.840 -0.047 0.000 0.747 215 L CB -0.585 41.486 42.059 0.020 0.000 0.896 215 L HN 0.313 nan 8.230 nan 0.000 0.432 216 A N 0.047 122.789 122.820 -0.129 0.000 1.877 216 A HA -0.155 4.166 4.320 0.002 0.000 0.216 216 A C 2.346 179.760 177.584 -0.285 0.000 1.186 216 A CA 1.835 53.705 52.037 -0.277 0.000 0.620 216 A CB -0.928 17.921 19.000 -0.251 0.000 0.822 216 A HN 0.178 nan 8.150 nan 0.000 0.443 217 V N -0.020 119.718 119.914 -0.293 0.000 2.469 217 V HA -0.330 3.792 4.120 0.002 0.000 0.251 217 V C 2.644 178.602 176.094 -0.228 0.000 1.064 217 V CA 2.286 64.418 62.300 -0.280 0.000 1.066 217 V CB -0.841 30.783 31.823 -0.331 0.000 0.667 217 V HN 0.636 nan 8.190 nan 0.000 0.461 218 Q N -0.762 118.917 119.800 -0.201 0.000 2.079 218 Q HA -0.161 4.180 4.340 0.002 0.000 0.200 218 Q C 2.410 178.304 176.000 -0.177 0.000 0.974 218 Q CA 1.703 57.410 55.803 -0.159 0.000 0.840 218 Q CB -0.260 28.405 28.738 -0.122 0.000 0.898 218 Q HN 0.697 nan 8.270 nan 0.000 0.430 219 A N 0.500 123.190 122.820 -0.216 0.000 1.898 219 A HA -0.129 4.193 4.320 0.002 0.000 0.216 219 A C 2.003 179.410 177.584 -0.295 0.000 1.181 219 A CA 0.902 52.793 52.037 -0.243 0.000 0.620 219 A CB -0.585 18.244 19.000 -0.286 0.000 0.819 219 A HN 0.301 nan 8.150 nan 0.000 0.442 220 L N -1.147 119.864 121.223 -0.353 0.000 2.046 220 L HA -0.154 4.188 4.340 0.002 0.000 0.208 220 L C 2.819 179.504 176.870 -0.309 0.000 1.077 220 L CA 1.301 55.880 54.840 -0.435 0.000 0.747 220 L CB -0.483 41.291 42.059 -0.475 0.000 0.896 220 L HN 0.332 nan 8.230 nan 0.000 0.432 221 R N -0.195 120.170 120.500 -0.226 0.000 2.120 221 R HA -0.184 4.157 4.340 0.002 0.000 0.234 221 R C 1.791 178.007 176.300 -0.140 0.000 1.123 221 R CA 1.637 57.642 56.100 -0.159 0.000 0.975 221 R CB -0.201 30.022 30.300 -0.128 0.000 0.866 221 R HN 0.340 nan 8.270 nan 0.000 0.446 222 D N -0.136 120.171 120.400 -0.154 0.000 2.183 222 D HA -0.060 4.581 4.640 0.002 0.000 0.205 222 D C 1.532 177.754 176.300 -0.130 0.000 0.962 222 D CA 0.865 54.789 54.000 -0.126 0.000 0.849 222 D CB 0.345 41.072 40.800 -0.122 0.000 0.978 222 D HN -0.069 nan 8.370 nan 0.000 0.488 223 R N -0.385 120.010 120.500 -0.176 0.000 2.290 223 R HA 0.277 4.619 4.340 0.002 0.000 0.197 223 R C 0.237 176.437 176.300 -0.166 0.000 0.913 223 R CA -0.046 55.952 56.100 -0.170 0.000 1.040 223 R CB 0.243 30.416 30.300 -0.210 0.000 0.992 223 R HN 0.261 nan 8.270 nan 0.000 0.500 224 L N 1.614 122.726 121.223 -0.185 0.000 2.352 224 L HA 0.418 4.759 4.340 0.002 0.000 0.269 224 L C -1.981 174.848 176.870 -0.068 0.000 1.034 224 L CA -2.193 52.563 54.840 -0.140 0.000 0.806 224 L CB 0.761 42.696 42.059 -0.206 0.000 1.244 224 L HN -0.231 nan 8.230 nan 0.000 0.447 225 P HA -0.014 nan 4.420 nan 0.000 0.269 225 P C 0.123 177.422 177.300 -0.002 0.000 1.211 225 P CA -0.077 63.022 63.100 -0.001 0.000 0.781 225 P CB 0.604 32.320 31.700 0.028 0.000 0.877 226 A N 1.921 124.741 122.820 0.001 0.000 2.070 226 A HA -0.184 4.137 4.320 0.002 0.000 0.220 226 A C 1.435 179.030 177.584 0.018 0.000 1.159 226 A CA 1.916 53.954 52.037 0.002 0.000 0.656 226 A CB -1.057 17.944 19.000 0.002 0.000 0.800 226 A HN 0.688 nan 8.150 nan 0.000 0.453 227 D N -0.225 120.194 120.400 0.032 0.000 2.340 227 D HA 0.344 4.986 4.640 0.002 0.000 0.220 227 D C 0.727 177.071 176.300 0.073 0.000 1.039 227 D CA 0.457 54.486 54.000 0.048 0.000 0.866 227 D CB -0.601 40.227 40.800 0.048 0.000 0.913 227 D HN 0.368 nan 8.370 nan 0.000 0.523 228 A N 0.200 123.066 122.820 0.077 0.000 2.425 228 A HA 0.281 4.603 4.320 0.002 0.000 0.242 228 A C 0.107 177.772 177.584 0.135 0.000 1.077 228 A CA -0.185 51.929 52.037 0.129 0.000 0.781 228 A CB 0.221 19.287 19.000 0.110 0.000 1.020 228 A HN 0.220 nan 8.150 nan 0.000 0.494 229 Q N 0.298 120.224 119.800 0.211 0.000 2.333 229 Q HA 0.437 4.779 4.340 0.002 0.000 0.265 229 Q C -1.297 174.839 176.000 0.228 0.000 0.989 229 Q CA -0.479 55.465 55.803 0.234 0.000 0.842 229 Q CB 1.761 30.700 28.738 0.335 0.000 1.262 229 Q HN 0.764 nan 8.270 nan 0.000 0.451 230 C N 1.355 120.701 119.300 0.076 0.000 2.391 230 C HA 0.885 5.346 4.460 0.002 0.000 0.339 230 C C 0.378 175.211 174.990 -0.262 0.000 1.205 230 C CA -0.351 58.646 59.018 -0.035 0.000 1.937 230 C CB 1.439 29.138 27.740 -0.068 0.000 2.341 230 C HN 0.906 nan 8.230 nan 0.000 0.516 231 S N 0.397 115.904 115.700 -0.321 0.000 2.703 231 S HA 0.785 5.257 4.470 0.002 0.000 0.273 231 S C -1.894 172.581 174.600 -0.209 0.000 1.178 231 S CA -0.374 57.522 58.200 -0.506 0.000 0.838 231 S CB 1.295 63.615 63.200 -1.468 0.000 1.178 231 S HN 1.074 nan 8.310 nan 0.000 0.494 232 V N 1.072 120.849 119.914 -0.229 0.000 2.925 232 V HA 0.797 4.919 4.120 0.002 0.000 0.311 232 V C -1.064 174.918 176.094 -0.186 0.000 1.104 232 V CA -0.100 62.107 62.300 -0.156 0.000 0.954 232 V CB 2.199 33.840 31.823 -0.304 0.000 1.022 232 V HN 0.971 nan 8.190 nan 0.000 0.427 233 T N 7.193 121.654 114.554 -0.155 0.000 2.791 233 T HA 0.635 4.987 4.350 0.002 0.000 0.288 233 T C -0.734 173.884 174.700 -0.137 0.000 0.999 233 T CA -0.149 61.874 62.100 -0.127 0.000 0.952 233 T CB 0.503 69.297 68.868 -0.122 0.000 0.938 233 T HN 0.509 nan 8.240 nan 0.000 0.444 234 L N 4.450 125.616 121.223 -0.096 0.000 2.365 234 L HA 0.550 4.892 4.340 0.002 0.000 0.273 234 L C 0.165 177.041 176.870 0.010 0.000 1.000 234 L CA -1.297 53.502 54.840 -0.068 0.000 0.819 234 L CB 1.496 43.523 42.059 -0.053 0.000 1.284 234 L HN 0.600 nan 8.230 nan 0.000 0.418 235 N N 3.892 122.622 118.700 0.051 0.000 2.439 235 N HA 0.184 4.925 4.740 0.002 0.000 0.243 235 N C -0.689 174.906 175.510 0.142 0.000 1.088 235 N CA -0.417 52.676 53.050 0.072 0.000 0.940 235 N CB 1.214 39.740 38.487 0.064 0.000 1.180 235 N HN 0.380 nan 8.380 nan 0.000 0.505 236 I N 3.165 123.823 120.570 0.147 0.000 2.363 236 I HA 0.034 4.206 4.170 0.002 0.000 0.292 236 I C 0.293 176.551 176.117 0.235 0.000 1.075 236 I CA -0.521 60.903 61.300 0.207 0.000 1.333 236 I CB -0.795 37.311 38.000 0.176 0.000 1.415 236 I HN 0.331 nan 8.210 nan 0.000 0.502 237 H N 4.757 123.868 119.070 0.069 0.000 2.899 237 H HA 0.074 4.632 4.556 0.002 0.000 0.303 237 H C 0.095 175.517 175.328 0.157 0.000 1.042 237 H CA 0.181 56.271 56.048 0.070 0.000 1.479 237 H CB -0.079 29.662 29.762 -0.034 0.000 1.493 237 H HN 0.337 nan 8.280 nan 0.000 0.534 238 H N 4.057 123.244 119.070 0.195 0.000 2.872 238 H HA 0.264 4.822 4.556 0.003 0.000 0.273 238 H C -0.827 174.575 175.328 0.124 0.000 1.205 238 H CA -0.636 55.502 56.048 0.150 0.000 1.342 238 H CB -0.487 29.373 29.762 0.165 0.000 1.469 238 H HN 0.336 nan 8.280 nan 0.000 0.487 239 V N 6.416 126.260 119.914 -0.117 0.000 2.488 239 V HA 0.370 4.491 4.120 0.002 0.000 0.277 239 V C 0.579 176.542 176.094 -0.219 0.000 1.046 239 V CA -0.382 61.844 62.300 -0.124 0.000 0.986 239 V CB 0.764 32.522 31.823 -0.108 0.000 0.989 239 V HN 0.720 nan 8.190 nan 0.000 0.475 240 R N 5.359 125.781 120.500 -0.131 0.000 2.803 240 R HA 0.573 4.914 4.340 0.002 0.000 0.276 240 R C -2.787 173.469 176.300 -0.073 0.000 0.978 240 R CA -1.827 54.210 56.100 -0.106 0.000 0.939 240 R CB 2.754 33.028 30.300 -0.044 0.000 1.179 240 R HN 0.483 nan 8.270 nan 0.000 0.472 241 P HA 0.076 nan 4.420 nan 0.000 0.288 241 P C 0.040 177.316 177.300 -0.040 0.000 1.267 241 P CA -0.497 62.567 63.100 -0.060 0.000 0.815 241 P CB 1.300 32.963 31.700 -0.063 0.000 0.989 242 L N 2.775 123.973 121.223 -0.042 0.000 2.017 242 L HA -0.015 4.326 4.340 0.002 0.000 0.208 242 L C 1.111 177.939 176.870 -0.071 0.000 1.073 242 L CA 2.412 57.205 54.840 -0.079 0.000 0.745 242 L CB -0.896 41.051 42.059 -0.186 0.000 0.894 242 L HN 0.618 nan 8.230 nan 0.000 0.432 243 T N -5.168 109.349 114.554 -0.061 0.000 2.858 243 T HA 0.352 4.704 4.350 0.002 0.000 0.285 243 T C 0.010 174.687 174.700 -0.038 0.000 1.052 243 T CA -0.209 61.863 62.100 -0.048 0.000 1.009 243 T CB 0.997 69.836 68.868 -0.048 0.000 1.241 243 T HN 0.092 nan 8.240 nan 0.000 0.542 244 D N 1.167 121.549 120.400 -0.031 0.000 2.325 244 D HA 0.197 4.839 4.640 0.002 0.000 0.234 244 D C 0.762 177.045 176.300 -0.028 0.000 1.122 244 D CA -0.180 53.803 54.000 -0.027 0.000 0.850 244 D CB -0.034 40.754 40.800 -0.020 0.000 0.921 244 D HN 0.643 nan 8.370 nan 0.000 0.513 245 S N -0.348 115.333 115.700 -0.032 0.000 2.593 245 S HA 0.033 4.504 4.470 0.002 0.000 0.269 245 S C 1.031 175.611 174.600 -0.034 0.000 1.334 245 S CA -0.706 57.475 58.200 -0.030 0.000 1.015 245 S CB 1.800 64.982 63.200 -0.030 0.000 0.912 245 S HN 0.013 nan 8.310 nan 0.000 0.541 246 D N 1.615 121.996 120.400 -0.031 0.000 2.183 246 D HA 0.008 4.649 4.640 0.002 0.000 0.203 246 D C 2.000 178.276 176.300 -0.039 0.000 0.969 246 D CA 1.379 55.360 54.000 -0.033 0.000 0.842 246 D CB -0.427 40.356 40.800 -0.027 0.000 0.957 246 D HN 0.688 nan 8.370 nan 0.000 0.484 247 A N 0.390 123.187 122.820 -0.038 0.000 1.902 247 A HA -0.176 4.146 4.320 0.002 0.000 0.217 247 A C 1.913 179.462 177.584 -0.058 0.000 1.181 247 A CA 1.851 53.863 52.037 -0.043 0.000 0.623 247 A CB -0.551 18.427 19.000 -0.036 0.000 0.818 247 A HN 0.175 nan 8.150 nan 0.000 0.443 248 D N -0.072 120.294 120.400 -0.057 0.000 2.117 248 D HA 0.022 4.663 4.640 0.002 0.000 0.198 248 D C 2.243 178.493 176.300 -0.082 0.000 0.982 248 D CA 1.418 55.375 54.000 -0.072 0.000 0.828 248 D CB -0.456 40.308 40.800 -0.059 0.000 0.967 248 D HN 0.401 nan 8.370 nan 0.000 0.464 249 A N 0.692 123.472 122.820 -0.067 0.000 1.908 249 A HA -0.232 4.089 4.320 0.002 0.000 0.218 249 A C 1.960 179.499 177.584 -0.074 0.000 1.181 249 A CA 2.075 54.072 52.037 -0.067 0.000 0.627 249 A CB -0.666 18.303 19.000 -0.051 0.000 0.818 249 A HN 0.168 nan 8.150 nan 0.000 0.445 250 D N -0.724 119.634 120.400 -0.069 0.000 2.178 250 D HA 0.071 4.712 4.640 0.002 0.000 0.202 250 D C 1.989 178.233 176.300 -0.094 0.000 0.974 250 D CA 1.180 55.138 54.000 -0.069 0.000 0.841 250 D CB -0.121 40.646 40.800 -0.055 0.000 0.953 250 D HN 0.356 nan 8.370 nan 0.000 0.478 251 A N -0.324 122.424 122.820 -0.120 0.000 1.930 251 A HA -0.079 4.242 4.320 0.002 0.000 0.217 251 A C 2.394 179.852 177.584 -0.210 0.000 1.175 251 A CA 1.114 53.044 52.037 -0.178 0.000 0.627 251 A CB -0.685 18.189 19.000 -0.210 0.000 0.815 251 A HN 0.195 nan 8.150 nan 0.000 0.443 252 V N 0.253 120.064 119.914 -0.172 0.000 2.295 252 V HA -0.267 3.854 4.120 0.002 0.000 0.246 252 V C 2.676 178.691 176.094 -0.133 0.000 1.049 252 V CA 2.304 64.505 62.300 -0.166 0.000 1.024 252 V CB -0.770 30.975 31.823 -0.130 0.000 0.648 252 V HN 0.697 nan 8.190 nan 0.000 0.447 253 R N 0.136 120.575 120.500 -0.101 0.000 2.083 253 R HA -0.224 4.118 4.340 0.002 0.000 0.237 253 R C 2.514 178.774 176.300 -0.066 0.000 1.137 253 R CA 2.168 58.225 56.100 -0.071 0.000 0.951 253 R CB -0.341 29.926 30.300 -0.055 0.000 0.851 253 R HN 0.425 nan 8.270 nan 0.000 0.434 254 R N 0.179 120.629 120.500 -0.084 0.000 2.081 254 R HA -0.096 4.245 4.340 0.002 0.000 0.235 254 R C 2.106 178.360 176.300 -0.077 0.000 1.131 254 R CA 1.495 57.555 56.100 -0.066 0.000 0.960 254 R CB -0.097 30.156 30.300 -0.079 0.000 0.856 254 R HN 0.244 nan 8.270 nan 0.000 0.436 255 I N 1.088 121.550 120.570 -0.181 0.000 2.439 255 I HA -0.169 4.002 4.170 0.002 0.000 0.251 255 I C 1.805 177.847 176.117 -0.125 0.000 1.139 255 I CA 1.299 62.436 61.300 -0.271 0.000 1.438 255 I CB -1.210 36.478 38.000 -0.520 0.000 1.085 255 I HN 0.253 nan 8.210 nan 0.000 0.427 256 D N 0.966 121.315 120.400 -0.085 0.000 2.224 256 D HA -0.070 4.572 4.640 0.002 0.000 0.205 256 D C 2.203 178.518 176.300 0.026 0.000 0.965 256 D CA 1.150 55.136 54.000 -0.022 0.000 0.852 256 D CB 0.358 41.143 40.800 -0.024 0.000 0.947 256 D HN 0.239 nan 8.370 nan 0.000 0.494 257 A N -0.068 122.767 122.820 0.025 0.000 1.874 257 A HA 0.015 4.337 4.320 0.002 0.000 0.214 257 A C 2.248 179.886 177.584 0.091 0.000 1.189 257 A CA 0.650 52.718 52.037 0.053 0.000 0.615 257 A CB -0.702 18.323 19.000 0.040 0.000 0.830 257 A HN 0.324 nan 8.150 nan 0.000 0.443 258 L N -0.919 120.376 121.223 0.120 0.000 2.093 258 L HA -0.128 4.214 4.340 0.002 0.000 0.208 258 L C 2.965 179.962 176.870 0.213 0.000 1.085 258 L CA 0.998 55.929 54.840 0.152 0.000 0.755 258 L CB -0.307 41.909 42.059 0.261 0.000 0.904 258 L HN 0.456 nan 8.230 nan 0.000 0.435 259 A N -0.380 122.552 122.820 0.187 0.000 1.911 259 A HA -0.055 4.267 4.320 0.002 0.000 0.212 259 A C 1.918 179.572 177.584 0.117 0.000 1.189 259 A CA 1.086 53.039 52.037 -0.139 0.000 0.639 259 A CB -0.111 18.540 19.000 -0.582 0.000 0.839 259 A HN 0.392 nan 8.150 nan 0.000 0.449 260 N N -0.862 117.927 118.700 0.149 0.000 2.724 260 N HA 0.045 4.787 4.740 0.002 0.000 0.226 260 N C 1.675 177.313 175.510 0.214 0.000 1.030 260 N CA 0.519 53.705 53.050 0.227 0.000 1.038 260 N CB -0.386 38.206 38.487 0.176 0.000 1.475 260 N HN 0.293 nan 8.380 nan 0.000 0.472 261 R N 1.100 121.680 120.500 0.134 0.000 2.193 261 R HA 0.002 4.344 4.340 0.002 0.000 0.229 261 R C 1.950 178.269 176.300 0.031 0.000 1.110 261 R CA 0.446 56.601 56.100 0.092 0.000 0.988 261 R CB -0.371 29.971 30.300 0.069 0.000 0.871 261 R HN 0.028 nan 8.270 nan 0.000 0.458 262 V N 0.298 120.215 119.914 0.006 0.000 2.720 262 V HA -0.210 3.912 4.120 0.002 0.000 0.256 262 V C 1.134 177.046 176.094 -0.303 0.000 1.082 262 V CA 1.739 63.991 62.300 -0.079 0.000 1.101 262 V CB -0.217 31.538 31.823 -0.114 0.000 0.693 262 V HN 0.217 nan 8.190 nan 0.000 0.479 263 F N -0.065 119.952 119.950 0.112 0.000 2.490 263 F HA 0.054 4.582 4.527 0.002 0.000 0.280 263 F C 2.638 178.387 175.800 -0.085 0.000 1.030 263 F CA 0.952 58.960 58.000 0.013 0.000 1.367 263 F CB -0.691 38.331 39.000 0.038 0.000 1.131 263 F HN 0.192 nan 8.300 nan 0.000 0.632 264 T N -1.628 113.000 114.554 0.123 0.000 2.833 264 T HA -0.066 4.285 4.350 0.002 0.000 0.269 264 T C 2.205 176.874 174.700 -0.052 0.000 1.054 264 T CA 1.266 63.355 62.100 -0.019 0.000 1.135 264 T CB -1.162 67.737 68.868 0.052 0.000 0.869 264 T HN 0.277 nan 8.240 nan 0.000 0.466 265 G N 2.800 111.573 108.800 -0.045 0.000 2.511 265 G HA2 -0.078 3.883 3.960 0.002 0.000 0.216 265 G HA3 -0.078 3.883 3.960 0.002 0.000 0.216 265 G C -0.571 174.183 174.900 -0.244 0.000 1.218 265 G CA 0.889 45.917 45.100 -0.119 0.000 0.788 265 G HN 0.465 nan 8.290 nan 0.000 0.560 266 P HA 0.000 nan 4.420 nan 0.000 0.214 266 P C 2.267 179.462 177.300 -0.176 0.000 1.162 266 P CA 1.139 64.029 63.100 -0.350 0.000 0.874 266 P CB -0.103 31.303 31.700 -0.490 0.000 0.784 267 M N -1.480 118.063 119.600 -0.095 0.000 2.117 267 M HA -0.122 4.359 4.480 0.002 0.000 0.262 267 M C 1.682 177.997 176.300 0.025 0.000 1.065 267 M CA 1.851 57.150 55.300 -0.001 0.000 1.114 267 M CB -0.697 31.830 32.600 -0.121 0.000 1.361 267 M HN -0.089 nan 8.290 nan 0.000 0.408 268 L N -1.738 119.399 121.223 -0.143 0.000 2.638 268 L HA 0.070 4.412 4.340 0.002 0.000 0.232 268 L C 1.549 178.259 176.870 -0.266 0.000 1.099 268 L CA 0.167 54.929 54.840 -0.130 0.000 0.883 268 L CB -0.025 41.797 42.059 -0.395 0.000 1.136 268 L HN 0.318 nan 8.230 nan 0.000 0.492 269 Q N -0.177 119.319 119.800 -0.506 0.000 2.157 269 Q HA 0.231 4.573 4.340 0.002 0.000 0.235 269 Q C 0.967 176.575 176.000 -0.652 0.000 0.803 269 Q CA 0.493 56.004 55.803 -0.487 0.000 0.967 269 Q CB 1.659 30.320 28.738 -0.130 0.000 1.150 269 Q HN 0.401 nan 8.270 nan 0.000 0.482 270 G N 1.561 109.905 108.800 -0.759 0.000 2.198 270 G HA2 -0.144 3.818 3.960 0.002 0.000 0.257 270 G HA3 -0.144 3.818 3.960 0.002 0.000 0.257 270 G C -0.022 174.776 174.900 -0.169 0.000 1.042 270 G CA 0.343 45.254 45.100 -0.315 0.000 0.791 270 G HN 0.600 nan 8.290 nan 0.000 0.502 271 A N -1.418 121.266 122.820 -0.227 0.000 2.583 271 A HA 0.635 4.956 4.320 0.002 0.000 0.298 271 A C -0.650 176.787 177.584 -0.245 0.000 1.055 271 A CA -0.777 51.156 52.037 -0.174 0.000 0.714 271 A CB 0.612 19.556 19.000 -0.094 0.000 1.277 271 A HN 0.885 nan 8.150 nan 0.000 0.406 272 Y N 2.514 122.712 120.300 -0.171 0.000 2.411 272 Y HA 0.378 4.930 4.550 0.003 0.000 0.333 272 Y C -1.384 174.393 175.900 -0.206 0.000 1.186 272 Y CA -0.798 57.156 58.100 -0.245 0.000 1.381 272 Y CB 0.586 38.760 38.460 -0.477 0.000 1.273 272 Y HN 0.493 nan 8.280 nan 0.000 0.546 273 P HA 0.068 nan 4.420 nan 0.000 0.268 273 P C 0.259 177.525 177.300 -0.057 0.000 1.204 273 P CA 0.386 63.466 63.100 -0.033 0.000 0.768 273 P CB 1.056 32.748 31.700 -0.013 0.000 0.842 274 E N 3.489 123.655 120.200 -0.056 0.000 2.085 274 E HA -0.256 4.095 4.350 0.002 0.000 0.194 274 E C 1.325 177.892 176.600 -0.054 0.000 0.994 274 E CA 2.047 58.407 56.400 -0.066 0.000 0.801 274 E CB -1.234 28.436 29.700 -0.050 0.000 0.743 274 E HN 0.719 nan 8.360 nan 0.000 0.453 275 D N 0.380 120.760 120.400 -0.034 0.000 2.178 275 D HA -0.132 4.509 4.640 0.002 0.000 0.201 275 D C 1.960 178.256 176.300 -0.007 0.000 0.980 275 D CA 1.370 55.358 54.000 -0.019 0.000 0.842 275 D CB -0.607 40.184 40.800 -0.015 0.000 0.948 275 D HN 0.433 nan 8.370 nan 0.000 0.472 276 L N 0.683 121.898 121.223 -0.013 0.000 2.046 276 L HA -0.093 4.249 4.340 0.002 0.000 0.208 276 L C 2.297 179.177 176.870 0.016 0.000 1.077 276 L CA 1.231 56.082 54.840 0.019 0.000 0.747 276 L CB -0.525 41.542 42.059 0.014 0.000 0.896 276 L HN -0.045 nan 8.230 nan 0.000 0.432 277 V N -0.231 119.619 119.914 -0.106 0.000 2.295 277 V HA -0.313 3.808 4.120 0.002 0.000 0.246 277 V C 2.703 178.813 176.094 0.028 0.000 1.049 277 V CA 2.030 64.253 62.300 -0.129 0.000 1.024 277 V CB -0.907 30.766 31.823 -0.250 0.000 0.648 277 V HN 0.422 nan 8.190 nan 0.000 0.447 278 K N -0.712 119.691 120.400 0.005 0.000 2.026 278 K HA -0.177 4.144 4.320 0.002 0.000 0.208 278 K C 1.904 178.534 176.600 0.049 0.000 1.048 278 K CA 1.502 57.802 56.287 0.022 0.000 0.929 278 K CB -0.874 31.628 32.500 0.003 0.000 0.713 278 K HN 0.662 nan 8.250 nan 0.000 0.439 279 D N 0.559 120.991 120.400 0.054 0.000 2.158 279 D HA -0.122 4.520 4.640 0.002 0.000 0.197 279 D C 1.848 178.206 176.300 0.097 0.000 0.995 279 D CA 2.130 56.169 54.000 0.066 0.000 0.846 279 D CB -0.537 40.304 40.800 0.069 0.000 0.941 279 D HN 0.619 nan 8.370 nan 0.000 0.456 280 T N -2.477 112.169 114.554 0.153 0.000 3.122 280 T HA 0.463 4.815 4.350 0.002 0.000 0.250 280 T C 1.796 176.578 174.700 0.136 0.000 1.067 280 T CA 0.405 62.610 62.100 0.174 0.000 0.966 280 T CB 0.346 69.399 68.868 0.308 0.000 1.002 280 T HN 0.072 nan 8.240 nan 0.000 0.542 281 A N 1.889 124.777 122.820 0.113 0.000 1.986 281 A HA 0.124 4.445 4.320 0.002 0.000 0.220 281 A C 2.525 180.134 177.584 0.042 0.000 1.171 281 A CA 1.630 53.714 52.037 0.078 0.000 0.640 281 A CB -1.454 17.576 19.000 0.051 0.000 0.811 281 A HN 0.614 nan 8.150 nan 0.000 0.451 282 G N -1.548 107.274 108.800 0.037 0.000 2.534 282 G HA2 0.130 4.092 3.960 0.002 0.000 0.217 282 G HA3 0.130 4.092 3.960 0.002 0.000 0.217 282 G C 1.209 176.115 174.900 0.009 0.000 1.128 282 G CA 0.865 45.977 45.100 0.021 0.000 0.784 282 G HN 0.356 nan 8.290 nan 0.000 0.542 283 L N -0.722 120.504 121.223 0.006 0.000 2.286 283 L HA 0.366 4.707 4.340 0.002 0.000 0.203 283 L C 1.119 177.950 176.870 -0.064 0.000 1.068 283 L CA 0.993 55.818 54.840 -0.024 0.000 0.811 283 L CB 0.200 42.244 42.059 -0.024 0.000 0.989 283 L HN 0.150 nan 8.230 nan 0.000 0.467 284 T N -1.941 112.563 114.554 -0.083 0.000 2.840 284 T HA 0.271 4.623 4.350 0.002 0.000 0.317 284 T C -1.056 173.594 174.700 -0.084 0.000 1.401 284 T CA -0.342 61.671 62.100 -0.144 0.000 1.028 284 T CB 1.262 69.938 68.868 -0.320 0.000 1.317 284 T HN 0.219 nan 8.240 nan 0.000 0.495 285 D N 0.602 120.949 120.400 -0.090 0.000 2.402 285 D HA 0.090 4.731 4.640 0.002 0.000 0.216 285 D C 0.128 176.408 176.300 -0.034 0.000 1.128 285 D CA -0.267 53.728 54.000 -0.010 0.000 0.833 285 D CB -0.498 40.282 40.800 -0.033 0.000 0.971 285 D HN 0.719 nan 8.370 nan 0.000 0.503 286 W N 1.513 122.514 121.300 -0.497 0.000 6.170 286 W HA -0.269 4.393 4.660 0.003 0.000 0.394 286 W C 1.651 177.581 176.519 -0.982 0.000 1.480 286 W CA 0.694 57.392 57.345 -1.079 0.000 1.027 286 W CB -2.713 26.243 29.460 -0.840 0.000 2.638 286 W HN 0.233 nan 8.180 nan 0.000 1.547 287 S N -0.910 114.486 115.700 -0.506 0.000 2.453 287 S HA -0.189 4.282 4.470 0.002 0.000 0.231 287 S C 1.374 175.847 174.600 -0.212 0.000 1.005 287 S CA 1.185 59.234 58.200 -0.253 0.000 0.949 287 S CB -0.917 62.223 63.200 -0.099 0.000 0.774 287 S HN 0.462 nan 8.310 nan 0.000 0.510 288 F N 1.522 121.436 119.950 -0.061 0.000 2.546 288 F HA 0.360 4.889 4.527 0.003 0.000 0.298 288 F C 0.510 176.281 175.800 -0.049 0.000 1.120 288 F CA -0.481 57.505 58.000 -0.023 0.000 1.456 288 F CB -0.910 38.067 39.000 -0.039 0.000 1.088 288 F HN -0.062 nan 8.300 nan 0.000 0.572 289 V N 3.819 123.519 119.914 -0.357 0.000 2.370 289 V HA 0.166 4.288 4.120 0.002 0.000 0.257 289 V C 0.478 176.558 176.094 -0.023 0.000 1.064 289 V CA -0.542 61.569 62.300 -0.316 0.000 0.975 289 V CB -0.310 31.292 31.823 -0.369 0.000 1.067 289 V HN 0.254 nan 8.190 nan 0.000 0.485 290 R N 2.216 122.799 120.500 0.139 0.000 2.577 290 R HA 0.426 4.767 4.340 0.002 0.000 0.269 290 R C 0.527 176.891 176.300 0.108 0.000 1.084 290 R CA 0.011 56.181 56.100 0.116 0.000 1.163 290 R CB 0.447 30.832 30.300 0.143 0.000 1.100 290 R HN 0.766 nan 8.270 nan 0.000 0.547 291 D N 0.004 120.448 120.400 0.072 0.000 2.533 291 D HA 0.271 4.912 4.640 0.002 0.000 0.236 291 D C 1.227 177.575 176.300 0.080 0.000 1.137 291 D CA 0.633 54.670 54.000 0.063 0.000 0.867 291 D CB 0.096 40.922 40.800 0.043 0.000 1.170 291 D HN 0.683 nan 8.370 nan 0.000 0.474 292 G N 1.534 110.382 108.800 0.080 0.000 2.253 292 G HA2 -0.292 3.670 3.960 0.002 0.000 0.251 292 G HA3 -0.292 3.670 3.960 0.002 0.000 0.251 292 G C 1.090 176.058 174.900 0.114 0.000 0.998 292 G CA 0.869 46.018 45.100 0.083 0.000 0.621 292 G HN 0.642 nan 8.290 nan 0.000 0.524 293 D N 0.377 120.876 120.400 0.164 0.000 2.117 293 D HA -0.016 4.625 4.640 0.002 0.000 0.197 293 D C 2.660 179.085 176.300 0.209 0.000 0.987 293 D CA 0.849 54.988 54.000 0.231 0.000 0.829 293 D CB -0.164 40.889 40.800 0.421 0.000 0.961 293 D HN 0.320 nan 8.370 nan 0.000 0.460 294 L N 0.469 121.803 121.223 0.186 0.000 2.012 294 L HA -0.128 4.214 4.340 0.002 0.000 0.210 294 L C 2.391 179.331 176.870 0.117 0.000 1.073 294 L CA 1.458 56.371 54.840 0.121 0.000 0.748 294 L CB -0.834 41.269 42.059 0.074 0.000 0.891 294 L HN 0.074 nan 8.230 nan 0.000 0.431 295 R N -0.578 119.990 120.500 0.113 0.000 2.096 295 R HA -0.124 4.218 4.340 0.002 0.000 0.235 295 R C 2.376 178.733 176.300 0.095 0.000 1.127 295 R CA 0.879 57.047 56.100 0.112 0.000 0.968 295 R CB -0.204 30.140 30.300 0.075 0.000 0.861 295 R HN 0.294 nan 8.270 nan 0.000 0.440 296 L N -0.247 121.028 121.223 0.087 0.000 2.046 296 L HA -0.162 4.180 4.340 0.002 0.000 0.208 296 L C 2.526 179.438 176.870 0.070 0.000 1.077 296 L CA 1.290 56.168 54.840 0.063 0.000 0.747 296 L CB -0.454 41.648 42.059 0.071 0.000 0.896 296 L HN 0.267 nan 8.230 nan 0.000 0.432 297 A N -1.936 120.951 122.820 0.112 0.000 2.014 297 A HA -0.183 4.138 4.320 0.002 0.000 0.218 297 A C 1.410 179.116 177.584 0.203 0.000 1.163 297 A CA 0.521 52.645 52.037 0.145 0.000 0.652 297 A CB -0.686 18.390 19.000 0.127 0.000 0.808 297 A HN 0.468 nan 8.150 nan 0.000 0.449 298 H N 1.137 120.232 119.070 0.042 0.000 3.014 298 H HA 0.233 4.791 4.556 0.003 0.000 0.266 298 H C -0.619 174.717 175.328 0.014 0.000 1.455 298 H CA -0.495 55.571 56.048 0.030 0.000 1.402 298 H CB -0.063 29.706 29.762 0.011 0.000 1.626 298 H HN 0.355 nan 8.280 nan 0.000 0.520 299 Q N 3.022 122.838 119.800 0.027 0.000 2.297 299 Q HA 0.273 4.614 4.340 0.002 0.000 0.268 299 Q C -0.231 175.716 176.000 -0.089 0.000 1.045 299 Q CA -1.014 54.730 55.803 -0.099 0.000 0.861 299 Q CB 2.343 31.013 28.738 -0.114 0.000 1.344 299 Q HN 0.597 nan 8.270 nan 0.000 0.452 300 K N 1.415 121.745 120.400 -0.116 0.000 2.401 300 K HA 0.313 4.635 4.320 0.002 0.000 0.278 300 K C -0.220 176.354 176.600 -0.043 0.000 1.018 300 K CA 0.098 56.340 56.287 -0.074 0.000 0.981 300 K CB 0.385 32.843 32.500 -0.070 0.000 0.933 300 K HN 0.352 nan 8.250 nan 0.000 0.477 301 L N 2.257 123.468 121.223 -0.021 0.000 2.346 301 L HA 0.216 4.558 4.340 0.002 0.000 0.274 301 L C 0.808 177.674 176.870 -0.008 0.000 1.007 301 L CA -0.645 54.171 54.840 -0.040 0.000 0.818 301 L CB 1.780 43.804 42.059 -0.059 0.000 1.284 301 L HN 0.673 nan 8.230 nan 0.000 0.424 302 D N 1.853 122.252 120.400 -0.001 0.000 2.323 302 D HA 0.078 4.719 4.640 0.002 0.000 0.209 302 D C -0.298 176.165 176.300 0.272 0.000 0.973 302 D CA 1.127 55.204 54.000 0.129 0.000 0.874 302 D CB 0.541 41.457 40.800 0.193 0.000 0.930 302 D HN 0.343 nan 8.370 nan 0.000 0.521 303 F N -1.083 118.878 119.950 0.018 0.000 2.799 303 F HA 0.403 4.932 4.527 0.002 0.000 0.316 303 F C -2.364 173.433 175.800 -0.005 0.000 1.155 303 F CA -1.564 56.442 58.000 0.010 0.000 0.916 303 F CB 0.844 39.849 39.000 0.009 0.000 1.294 303 F HN -0.315 nan 8.300 nan 0.000 0.447 304 L N 2.520 123.847 121.223 0.173 0.000 2.307 304 L HA 0.887 5.229 4.340 0.002 0.000 0.284 304 L C -0.057 176.908 176.870 0.160 0.000 1.023 304 L CA -0.350 54.502 54.840 0.020 0.000 0.810 304 L CB 1.517 43.570 42.059 -0.010 0.000 1.231 304 L HN 0.989 nan 8.230 nan 0.000 0.423 305 G N 4.938 113.760 108.800 0.036 0.000 2.333 305 G HA2 0.523 4.485 3.960 0.002 0.000 0.290 305 G HA3 0.523 4.485 3.960 0.002 0.000 0.290 305 G C -1.054 173.867 174.900 0.034 0.000 1.150 305 G CA -0.335 44.818 45.100 0.088 0.000 0.895 305 G HN 0.510 nan 8.290 nan 0.000 0.444 306 V N 3.651 123.603 119.914 0.064 0.000 2.417 306 V HA 0.310 4.432 4.120 0.002 0.000 0.291 306 V C 0.055 176.171 176.094 0.036 0.000 1.024 306 V CA -0.938 61.396 62.300 0.057 0.000 0.861 306 V CB 1.307 33.183 31.823 0.087 0.000 0.985 306 V HN 0.750 nan 8.190 nan 0.000 0.436 307 N N 3.520 122.232 118.700 0.020 0.000 2.392 307 N HA 0.600 5.341 4.740 0.002 0.000 0.283 307 N C -1.716 173.798 175.510 0.007 0.000 1.003 307 N CA -0.524 52.502 53.050 -0.041 0.000 0.892 307 N CB 2.110 40.569 38.487 -0.047 0.000 1.193 307 N HN 0.726 nan 8.380 nan 0.000 0.487 308 Y N 2.368 122.507 120.300 -0.268 0.000 2.513 308 Y HA 0.294 4.845 4.550 0.003 0.000 0.340 308 Y C -1.282 174.407 175.900 -0.353 0.000 1.055 308 Y CA -0.431 57.562 58.100 -0.177 0.000 1.020 308 Y CB 0.947 39.398 38.460 -0.015 0.000 1.301 308 Y HN 0.571 nan 8.280 nan 0.000 0.453 309 Y N 1.701 121.501 120.300 -0.833 0.000 2.728 309 Y HA 0.403 4.955 4.550 0.003 0.000 0.267 309 Y C 0.578 176.128 175.900 -0.584 0.000 1.169 309 Y CA 0.415 58.249 58.100 -0.443 0.000 1.168 309 Y CB 1.084 39.471 38.460 -0.122 0.000 1.370 309 Y HN 0.506 nan 8.280 nan 0.000 0.482 310 S N -0.444 114.849 115.700 -0.677 0.000 2.565 310 S HA 0.583 5.055 4.470 0.002 0.000 0.269 310 S C -3.048 171.491 174.600 -0.103 0.000 1.153 310 S CA -1.290 56.757 58.200 -0.255 0.000 0.835 310 S CB 1.219 64.392 63.200 -0.045 0.000 1.122 310 S HN -0.201 nan 8.310 nan 0.000 0.462 311 P HA 0.490 nan 4.420 nan 0.000 0.275 311 P C -0.684 176.699 177.300 0.138 0.000 1.266 311 P CA -0.198 63.060 63.100 0.263 0.000 0.793 311 P CB 0.621 32.500 31.700 0.299 0.000 1.074 334 S N 3.091 118.882 115.700 0.152 0.000 2.585 334 S HA 0.364 4.835 4.470 0.002 0.000 0.277 334 S C -1.801 172.834 174.600 0.059 0.000 1.241 334 S CA -1.354 56.931 58.200 0.141 0.000 1.041 334 S CB 1.061 64.393 63.200 0.219 0.000 0.987 334 S HN 0.511 nan 8.310 nan 0.000 0.512 335 P HA 0.273 nan 4.420 nan 0.000 0.266 335 P C -1.034 175.962 177.300 -0.506 0.000 1.381 335 P CA -0.025 62.872 63.100 -0.338 0.000 0.940 335 P CB -0.268 31.105 31.700 -0.545 0.000 1.435 336 W N 1.464 122.816 121.300 0.086 0.000 2.148 336 W HA 0.371 5.032 4.660 0.002 0.000 0.288 336 W C -2.570 173.987 176.519 0.064 0.000 0.920 336 W CA -2.582 54.794 57.345 0.051 0.000 1.904 336 W CB 0.493 30.049 29.460 0.160 0.000 2.083 336 W HN -0.099 nan 8.180 nan 0.000 0.398 337 P HA 0.024 nan 4.420 nan 0.000 0.260 337 P C 1.067 178.470 177.300 0.172 0.000 1.185 337 P CA 1.770 64.983 63.100 0.188 0.000 0.763 337 P CB 0.572 32.384 31.700 0.187 0.000 0.776 338 G N 3.198 112.080 108.800 0.137 0.000 2.179 338 G HA2 -0.254 3.708 3.960 0.002 0.000 0.260 338 G HA3 -0.254 3.708 3.960 0.002 0.000 0.260 338 G C 0.580 175.539 174.900 0.098 0.000 0.977 338 G CA 0.110 45.274 45.100 0.107 0.000 0.641 338 G HN 0.788 nan 8.290 nan 0.000 0.533 339 A N -0.533 122.366 122.820 0.132 0.000 2.965 339 A HA 0.667 4.989 4.320 0.002 0.000 0.304 339 A C 1.203 178.831 177.584 0.073 0.000 1.214 339 A CA 1.488 53.573 52.037 0.080 0.000 0.977 339 A CB -0.530 18.518 19.000 0.079 0.000 1.127 339 A HN 1.159 nan 8.150 nan 0.000 0.572 340 D N -0.038 120.408 120.400 0.076 0.000 2.269 340 D HA 0.016 4.657 4.640 0.002 0.000 0.208 340 D C 1.745 178.060 176.300 0.024 0.000 0.963 340 D CA 1.356 55.398 54.000 0.069 0.000 0.864 340 D CB -0.530 40.309 40.800 0.065 0.000 0.936 340 D HN 0.693 nan 8.370 nan 0.000 0.505 341 R N -0.090 120.409 120.500 -0.001 0.000 2.343 341 R HA 0.476 4.818 4.340 0.002 0.000 0.202 341 R C 1.005 177.268 176.300 -0.062 0.000 1.023 341 R CA 0.715 56.801 56.100 -0.023 0.000 1.084 341 R CB -1.310 nan 30.300 nan 0.000 0.956 341 R HN 0.471 nan 8.270 nan 0.000 0.478 342 V N -1.883 117.976 119.914 -0.091 0.000 3.093 342 V HA 0.914 5.036 4.120 0.002 0.000 0.320 342 V C 0.116 176.108 176.094 -0.170 0.000 1.093 342 V CA -0.939 61.240 62.300 -0.201 0.000 1.016 342 V CB 1.903 33.501 31.823 -0.375 0.000 1.096 342 V HN 0.485 nan 8.190 nan 0.000 0.452 343 A N 0.968 123.610 122.820 -0.296 0.000 2.485 343 A HA 0.758 5.079 4.320 0.002 0.000 0.285 343 A C -1.202 176.051 177.584 -0.551 0.000 1.045 343 A CA -0.403 51.492 52.037 -0.237 0.000 0.792 343 A CB 0.603 19.515 19.000 -0.147 0.000 1.307 343 A HN 0.475 nan 8.150 nan 0.000 0.406 344 F N 2.376 122.081 119.950 -0.408 0.000 2.380 344 F HA 0.553 5.081 4.527 0.002 0.000 0.325 344 F C 1.193 176.614 175.800 -0.631 0.000 1.136 344 F CA 0.746 58.485 58.000 -0.435 0.000 1.171 344 F CB 0.896 39.793 39.000 -0.173 0.000 1.230 344 F HN 0.532 nan 8.300 nan 0.000 0.554 345 H N -0.282 118.906 119.070 0.197 0.000 2.946 345 H HA 0.221 4.778 4.556 0.003 0.000 0.365 345 H C -1.265 174.147 175.328 0.140 0.000 1.197 345 H CA -0.990 55.135 56.048 0.129 0.000 1.131 345 H CB 1.712 31.511 29.762 0.062 0.000 1.849 345 H HN 0.336 nan 8.280 nan 0.000 0.555 346 Q N 2.504 122.459 119.800 0.259 0.000 2.337 346 Q HA 0.284 4.626 4.340 0.002 0.000 0.255 346 Q C -2.451 173.655 176.000 0.176 0.000 0.997 346 Q CA -1.362 54.559 55.803 0.197 0.000 0.925 346 Q CB 0.531 29.372 28.738 0.172 0.000 1.212 346 Q HN 0.269 nan 8.270 nan 0.000 0.436 347 P HA 0.150 nan 4.420 nan 0.000 0.269 347 P C -2.538 174.846 177.300 0.142 0.000 1.215 347 P CA -0.872 62.319 63.100 0.151 0.000 0.780 347 P CB 0.048 31.846 31.700 0.164 0.000 0.898 348 P HA 0.368 nan 4.420 nan 0.000 0.274 348 P C -0.037 177.339 177.300 0.128 0.000 1.231 348 P CA 0.257 63.423 63.100 0.110 0.000 0.790 348 P CB 0.867 32.618 31.700 0.085 0.000 0.951 349 G N 0.140 109.014 108.800 0.123 0.000 2.355 349 G HA2 0.000 3.962 3.960 0.002 0.000 0.619 349 G HA3 0.000 3.962 3.960 0.002 0.000 0.619 349 G C -1.006 173.985 174.900 0.151 0.000 1.337 349 G CA -0.751 44.430 45.100 0.136 0.000 0.993 349 G HN 0.470 nan 8.290 nan 0.000 0.599 350 E N -0.879 119.419 120.200 0.163 0.000 2.409 350 E HA 0.600 4.951 4.350 0.002 0.000 0.257 350 E C 1.035 177.764 176.600 0.214 0.000 1.150 350 E CA 0.330 56.837 56.400 0.179 0.000 0.942 350 E CB 1.314 31.131 29.700 0.195 0.000 0.979 350 E HN 1.419 nan 8.360 nan 0.000 0.447 351 T N -2.599 112.076 114.554 0.203 0.000 2.924 351 T HA 0.650 5.001 4.350 0.002 0.000 0.291 351 T C 0.438 175.221 174.700 0.137 0.000 1.045 351 T CA -0.433 61.776 62.100 0.182 0.000 1.015 351 T CB 1.642 70.596 68.868 0.143 0.000 1.103 351 T HN 0.606 nan 8.240 nan 0.000 0.496 352 T N -1.227 113.309 114.554 -0.030 0.000 2.902 352 T HA 0.645 4.997 4.350 0.002 0.000 0.287 352 T C 1.857 176.306 174.700 -0.419 0.000 1.048 352 T CA -0.304 61.542 62.100 -0.423 0.000 0.941 352 T CB 0.228 68.669 68.868 -0.712 0.000 1.432 352 T HN 0.898 nan 8.240 nan 0.000 0.586 353 A N 0.039 122.437 122.820 -0.705 0.000 2.015 353 A HA 0.056 4.378 4.320 0.002 0.000 0.219 353 A C 2.246 179.537 177.584 -0.489 0.000 1.163 353 A CA 1.046 52.710 52.037 -0.623 0.000 0.646 353 A CB -0.913 17.474 19.000 -1.021 0.000 0.806 353 A HN 0.731 nan 8.150 nan 0.000 0.448 354 M N -1.458 117.710 119.600 -0.720 0.000 2.619 354 M HA 0.114 4.595 4.480 0.002 0.000 0.251 354 M C 1.573 177.589 176.300 -0.472 0.000 1.106 354 M CA 0.967 55.769 55.300 -0.830 0.000 1.086 354 M CB -1.115 30.289 32.600 -1.994 0.000 1.465 354 M HN 0.760 nan 8.290 nan 0.000 0.506 355 G N -0.200 108.446 108.800 -0.256 0.000 2.148 355 G HA2 -0.196 3.766 3.960 0.002 0.000 0.254 355 G HA3 -0.196 3.766 3.960 0.002 0.000 0.254 355 G C -0.416 174.594 174.900 0.184 0.000 0.981 355 G CA -0.180 44.921 45.100 0.003 0.000 0.670 355 G HN 0.410 nan 8.290 nan 0.000 0.528 356 W N 0.695 122.007 121.300 0.020 0.000 2.202 356 W HA 0.735 5.396 4.660 0.002 0.000 0.332 356 W C 0.702 177.282 176.519 0.101 0.000 1.263 356 W CA -1.249 56.130 57.345 0.058 0.000 1.223 356 W CB 0.261 29.748 29.460 0.045 0.000 1.128 356 W HN 0.578 nan 8.180 nan 0.000 0.573 357 A N 2.238 125.272 122.820 0.357 0.000 2.425 357 A HA 0.425 4.747 4.320 0.002 0.000 0.249 357 A C -0.458 177.332 177.584 0.343 0.000 1.084 357 A CA -0.434 51.776 52.037 0.289 0.000 0.781 357 A CB 0.253 19.391 19.000 0.231 0.000 1.019 357 A HN 0.402 nan 8.150 nan 0.000 0.490 358 V N 3.457 123.574 119.914 0.338 0.000 2.364 358 V HA 0.386 4.508 4.120 0.002 0.000 0.272 358 V C -0.457 175.810 176.094 0.287 0.000 1.036 358 V CA -0.027 62.512 62.300 0.398 0.000 0.880 358 V CB 1.049 33.127 31.823 0.424 0.000 0.991 358 V HN 0.917 nan 8.190 nan 0.000 0.460 359 D N 6.479 127.066 120.400 0.312 0.000 2.337 359 D HA 0.349 4.990 4.640 0.002 0.000 0.238 359 D C -2.146 174.245 176.300 0.152 0.000 1.331 359 D CA -1.428 52.694 54.000 0.204 0.000 0.967 359 D CB 2.500 43.440 40.800 0.233 0.000 1.382 359 D HN 0.158 nan 8.370 nan 0.000 0.549 360 P HA -0.118 nan 4.420 nan 0.000 0.221 360 P C 1.423 178.649 177.300 -0.124 0.000 1.145 360 P CA 0.913 63.735 63.100 -0.464 0.000 0.795 360 P CB 0.256 31.612 31.700 -0.573 0.000 0.775 361 S N -1.096 114.590 115.700 -0.023 0.000 2.442 361 S HA -0.079 4.392 4.470 0.002 0.000 0.236 361 S C 2.214 176.825 174.600 0.018 0.000 1.007 361 S CA 1.297 59.520 58.200 0.039 0.000 0.965 361 S CB -1.742 61.498 63.200 0.066 0.000 0.773 361 S HN 0.207 nan 8.310 nan 0.000 0.504 362 G N 1.536 110.345 108.800 0.015 0.000 2.408 362 G HA2 -0.045 3.916 3.960 0.002 0.000 0.217 362 G HA3 -0.045 3.916 3.960 0.002 0.000 0.217 362 G C 1.328 175.812 174.900 -0.693 0.000 1.150 362 G CA 0.844 45.862 45.100 -0.138 0.000 0.776 362 G HN 0.492 nan 8.290 nan 0.000 0.542 363 L N -0.538 120.236 121.223 -0.748 0.000 2.093 363 L HA 0.077 4.418 4.340 0.002 0.000 0.208 363 L C 2.449 179.119 176.870 -0.334 0.000 1.085 363 L CA 1.471 55.835 54.840 -0.793 0.000 0.755 363 L CB -0.737 41.118 42.059 -0.339 0.000 0.904 363 L HN 0.334 nan 8.230 nan 0.000 0.435 364 Y N 0.697 120.836 120.300 -0.269 0.000 2.114 364 Y HA -0.222 4.329 4.550 0.002 0.000 0.284 364 Y C 2.368 178.159 175.900 -0.181 0.000 1.143 364 Y CA 2.204 60.210 58.100 -0.157 0.000 1.135 364 Y CB -0.299 38.100 38.460 -0.101 0.000 0.980 364 Y HN 0.365 nan 8.280 nan 0.000 0.499 365 E N 0.412 120.391 120.200 -0.367 0.000 2.077 365 E HA -0.248 4.104 4.350 0.002 0.000 0.193 365 E C 2.323 178.663 176.600 -0.433 0.000 0.989 365 E CA 1.422 57.583 56.400 -0.400 0.000 0.800 365 E CB -0.490 29.104 29.700 -0.176 0.000 0.746 365 E HN 0.595 nan 8.360 nan 0.000 0.452 366 L N 1.079 121.914 121.223 -0.648 0.000 2.012 366 L HA -0.229 4.112 4.340 0.002 0.000 0.210 366 L C 2.296 179.053 176.870 -0.187 0.000 1.073 366 L CA 1.338 55.959 54.840 -0.365 0.000 0.748 366 L CB -0.162 41.648 42.059 -0.414 0.000 0.891 366 L HN 0.149 nan 8.230 nan 0.000 0.431 367 L N -0.514 120.571 121.223 -0.230 0.000 2.083 367 L HA -0.170 4.171 4.340 0.002 0.000 0.209 367 L C 2.924 179.697 176.870 -0.162 0.000 1.083 367 L CA 0.753 55.512 54.840 -0.135 0.000 0.752 367 L CB -0.617 41.382 42.059 -0.099 0.000 0.899 367 L HN 0.282 nan 8.230 nan 0.000 0.433 368 R N -0.043 120.268 120.500 -0.314 0.000 2.092 368 R HA -0.127 4.215 4.340 0.002 0.000 0.231 368 R C 2.226 178.440 176.300 -0.144 0.000 1.119 368 R CA 1.114 57.047 56.100 -0.279 0.000 0.970 368 R CB -0.664 29.365 30.300 -0.451 0.000 0.864 368 R HN 0.362 nan 8.270 nan 0.000 0.440 369 R N 0.764 121.202 120.500 -0.104 0.000 2.075 369 R HA 0.001 4.343 4.340 0.002 0.000 0.232 369 R C 2.338 178.618 176.300 -0.034 0.000 1.126 369 R CA 0.955 57.027 56.100 -0.047 0.000 0.963 369 R CB -0.260 30.053 30.300 0.022 0.000 0.858 369 R HN 0.117 nan 8.270 nan 0.000 0.435 370 L N 0.269 121.510 121.223 0.031 0.000 2.042 370 L HA -0.175 4.167 4.340 0.002 0.000 0.210 370 L C 2.406 179.341 176.870 0.109 0.000 1.076 370 L CA 1.536 56.468 54.840 0.153 0.000 0.749 370 L CB -0.345 41.822 42.059 0.179 0.000 0.893 370 L HN 0.249 nan 8.230 nan 0.000 0.432 371 S N -1.111 114.610 115.700 0.035 0.000 2.402 371 S HA -0.179 4.292 4.470 0.002 0.000 0.229 371 S C 2.168 176.750 174.600 -0.030 0.000 1.021 371 S CA 1.466 59.680 58.200 0.022 0.000 0.974 371 S CB -0.093 63.104 63.200 -0.004 0.000 0.800 371 S HN 0.395 nan 8.310 nan 0.000 0.484 372 S N 1.274 116.926 115.700 -0.080 0.000 2.357 372 S HA -0.103 4.369 4.470 0.002 0.000 0.221 372 S C 1.360 175.831 174.600 -0.214 0.000 1.031 372 S CA 1.099 59.229 58.200 -0.116 0.000 0.982 372 S CB -0.346 62.790 63.200 -0.108 0.000 0.853 372 S HN 0.384 nan 8.310 nan 0.000 0.458 373 D N 0.060 120.229 120.400 -0.384 0.000 2.234 373 D HA 0.090 4.731 4.640 0.002 0.000 0.205 373 D C -0.341 175.300 176.300 -1.099 0.000 0.962 373 D CA 0.783 54.280 54.000 -0.838 0.000 0.855 373 D CB 0.013 40.067 40.800 -1.243 0.000 0.951 373 D HN 0.454 nan 8.370 nan 0.000 0.500 374 F N -0.083 119.876 119.950 0.015 0.000 2.708 374 F HA 0.260 4.789 4.527 0.002 0.000 0.344 374 F C -1.766 174.050 175.800 0.027 0.000 1.447 374 F CA -1.850 56.165 58.000 0.025 0.000 1.140 374 F CB 1.316 40.336 39.000 0.033 0.000 1.657 374 F HN -0.214 nan 8.300 nan 0.000 0.598 375 P HA -0.168 nan 4.420 nan 0.000 0.219 375 P C 1.104 178.459 177.300 0.091 0.000 1.146 375 P CA 1.406 64.549 63.100 0.072 0.000 0.808 375 P CB 0.419 32.136 31.700 0.029 0.000 0.779 376 A N -1.053 121.833 122.820 0.110 0.000 2.379 376 A HA 0.235 4.557 4.320 0.002 0.000 0.236 376 A C 0.659 178.310 177.584 0.112 0.000 1.272 376 A CA -0.185 51.910 52.037 0.097 0.000 0.886 376 A CB -0.675 18.375 19.000 0.083 0.000 0.962 376 A HN 0.171 nan 8.150 nan 0.000 0.504 377 L N 1.151 122.459 121.223 0.142 0.000 2.277 377 L HA 0.512 4.854 4.340 0.002 0.000 0.284 377 L C -2.801 174.151 176.870 0.137 0.000 1.028 377 L CA -2.394 52.525 54.840 0.132 0.000 0.835 377 L CB 0.975 43.110 42.059 0.127 0.000 1.215 377 L HN -0.108 nan 8.230 nan 0.000 0.425 378 P HA 0.094 nan 4.420 nan 0.000 0.265 378 P C -1.042 176.365 177.300 0.179 0.000 1.187 378 P CA 0.364 63.551 63.100 0.144 0.000 0.766 378 P CB 0.436 32.224 31.700 0.146 0.000 0.820 379 L N 2.626 123.933 121.223 0.140 0.000 2.334 379 L HA 0.641 4.982 4.340 0.002 0.000 0.276 379 L C -0.443 176.494 176.870 0.113 0.000 1.014 379 L CA -1.008 53.923 54.840 0.152 0.000 0.815 379 L CB 1.961 44.100 42.059 0.133 0.000 1.268 379 L HN 0.047 nan 8.230 nan 0.000 0.428 380 V N 3.748 123.748 119.914 0.144 0.000 2.623 380 V HA 0.328 4.449 4.120 0.002 0.000 0.304 380 V C -0.125 176.042 176.094 0.122 0.000 1.054 380 V CA -0.505 61.835 62.300 0.066 0.000 0.882 380 V CB 2.412 34.185 31.823 -0.083 0.000 1.002 380 V HN 0.445 nan 8.190 nan 0.000 0.424 381 I N 4.842 125.500 120.570 0.146 0.000 2.372 381 I HA 0.102 4.274 4.170 0.002 0.000 0.298 381 I C 1.692 177.862 176.117 0.088 0.000 1.137 381 I CA 0.419 61.794 61.300 0.126 0.000 1.314 381 I CB 0.431 38.546 38.000 0.192 0.000 1.444 381 I HN 0.835 nan 8.210 nan 0.000 0.541 382 T N 1.809 116.379 114.554 0.028 0.000 3.113 382 T HA 0.196 4.548 4.350 0.002 0.000 0.256 382 T C 0.580 175.281 174.700 0.002 0.000 1.131 382 T CA 0.204 62.266 62.100 -0.064 0.000 1.074 382 T CB 0.309 69.099 68.868 -0.130 0.000 0.944 382 T HN 0.570 nan 8.240 nan 0.000 0.516 383 E N 0.442 120.623 120.200 -0.032 0.000 2.397 383 E HA 0.488 4.839 4.350 0.002 0.000 0.293 383 E C -1.765 174.684 176.600 -0.251 0.000 0.930 383 E CA -0.700 55.674 56.400 -0.044 0.000 0.793 383 E CB 1.621 31.281 29.700 -0.067 0.000 1.259 383 E HN 0.228 nan 8.360 nan 0.000 0.406 384 N N 1.476 120.059 118.700 -0.194 0.000 2.635 384 N HA 0.623 5.365 4.740 0.002 0.000 0.260 384 N C -1.270 174.336 175.510 0.161 0.000 1.078 384 N CA -0.016 52.931 53.050 -0.171 0.000 1.012 384 N CB 1.980 40.512 38.487 0.075 0.000 1.677 384 N HN 0.636 nan 8.380 nan 0.000 0.514 385 G N 0.632 109.594 108.800 0.271 0.000 2.340 385 G HA2 0.806 4.767 3.960 0.002 0.000 0.299 385 G HA3 0.806 4.767 3.960 0.002 0.000 0.299 385 G C -1.933 173.011 174.900 0.072 0.000 1.291 385 G CA -0.012 45.278 45.100 0.318 0.000 0.841 385 G HN 0.943 nan 8.290 nan 0.000 0.500 386 A N -1.487 121.340 122.820 0.011 0.000 2.574 386 A HA 0.980 5.301 4.320 0.002 0.000 0.297 386 A C -0.379 176.763 177.584 -0.737 0.000 1.062 386 A CA 0.304 52.081 52.037 -0.432 0.000 0.686 386 A CB 1.325 19.727 19.000 -0.997 0.000 1.285 386 A HN 2.426 nan 8.150 nan 0.000 0.403 387 A N 1.016 122.964 122.820 -1.453 0.000 2.292 387 A HA 0.850 5.172 4.320 0.002 0.000 0.319 387 A C -0.952 175.893 177.584 -1.231 0.000 1.206 387 A CA -0.162 50.980 52.037 -1.491 0.000 0.835 387 A CB -0.046 17.833 19.000 -1.868 0.000 1.164 387 A HN 0.808 nan 8.150 nan 0.000 0.505 388 F N 0.107 119.759 119.950 -0.496 0.000 2.629 388 F HA 0.356 4.885 4.527 0.003 0.000 0.316 388 F C 0.435 176.028 175.800 -0.345 0.000 1.081 388 F CA -0.666 57.106 58.000 -0.379 0.000 0.954 388 F CB 1.736 40.625 39.000 -0.184 0.000 1.337 388 F HN 0.543 nan 8.300 nan 0.000 0.474 389 H N 1.855 121.030 119.070 0.175 0.000 2.998 389 H HA 0.132 4.689 4.556 0.002 0.000 0.241 389 H C -0.725 174.735 175.328 0.220 0.000 1.852 389 H CA -0.186 55.949 56.048 0.145 0.000 1.419 389 H CB -0.739 29.093 29.762 0.116 0.000 1.793 389 H HN 0.453 nan 8.280 nan 0.000 0.553 390 D N 1.866 122.417 120.400 0.251 0.000 2.357 390 D HA 0.131 4.773 4.640 0.002 0.000 0.242 390 D C 0.514 176.974 176.300 0.267 0.000 1.153 390 D CA 0.295 54.399 54.000 0.173 0.000 0.918 390 D CB 1.115 41.986 40.800 0.119 0.000 1.181 390 D HN 0.492 nan 8.370 nan 0.000 0.435 391 Y N -2.821 117.466 120.300 -0.022 0.000 2.592 391 Y HA 0.576 5.128 4.550 0.003 0.000 0.334 391 Y C -1.494 174.217 175.900 -0.316 0.000 1.136 391 Y CA -1.527 56.508 58.100 -0.107 0.000 1.042 391 Y CB 0.777 39.222 38.460 -0.026 0.000 1.325 391 Y HN 0.341 nan 8.280 nan 0.000 0.457 392 A N 2.686 125.301 122.820 -0.341 0.000 2.289 392 A HA 0.536 4.858 4.320 0.002 0.000 0.298 392 A C -0.544 177.014 177.584 -0.043 0.000 1.208 392 A CA -0.326 51.482 52.037 -0.382 0.000 0.845 392 A CB -0.172 18.555 19.000 -0.454 0.000 1.125 392 A HN 0.792 nan 8.150 nan 0.000 0.517 393 D N 2.629 123.002 120.400 -0.045 0.000 2.411 393 D HA 0.340 4.981 4.640 0.002 0.000 0.251 393 D C -2.145 174.165 176.300 0.017 0.000 1.201 393 D CA -1.885 52.161 54.000 0.076 0.000 0.996 393 D CB -0.226 40.617 40.800 0.072 0.000 1.101 393 D HN 0.154 nan 8.370 nan 0.000 0.504 394 P HA -0.108 nan 4.420 nan 0.000 0.220 394 P C 0.270 177.566 177.300 -0.007 0.000 1.144 394 P CA 1.204 64.308 63.100 0.007 0.000 0.800 394 P CB 0.131 31.836 31.700 0.009 0.000 0.772 395 E N -1.840 118.352 120.200 -0.014 0.000 2.465 395 E HA 0.265 4.616 4.350 0.002 0.000 0.191 395 E C 1.424 178.002 176.600 -0.037 0.000 1.053 395 E CA 0.550 56.936 56.400 -0.022 0.000 0.869 395 E CB -0.721 28.966 29.700 -0.022 0.000 0.977 395 E HN 0.132 nan 8.360 nan 0.000 0.483 396 G N 0.744 109.514 108.800 -0.049 0.000 2.159 396 G HA2 -0.330 3.631 3.960 0.002 0.000 0.256 396 G HA3 -0.330 3.631 3.960 0.002 0.000 0.256 396 G C -0.073 174.763 174.900 -0.106 0.000 0.977 396 G CA 0.108 45.166 45.100 -0.070 0.000 0.652 396 G HN 0.383 nan 8.290 nan 0.000 0.531 397 N N -0.827 117.803 118.700 -0.117 0.000 2.509 397 N HA 0.564 5.306 4.740 0.002 0.000 0.287 397 N C -0.531 174.832 175.510 -0.246 0.000 1.121 397 N CA -0.548 52.414 53.050 -0.145 0.000 0.977 397 N CB 2.187 40.608 38.487 -0.110 0.000 1.167 397 N HN 0.038 nan 8.380 nan 0.000 0.476 398 V N 2.045 121.804 119.914 -0.258 0.000 2.325 398 V HA 0.269 4.391 4.120 0.002 0.000 0.280 398 V C -0.811 175.123 176.094 -0.266 0.000 1.016 398 V CA -0.835 61.251 62.300 -0.357 0.000 0.818 398 V CB 0.610 32.229 31.823 -0.341 0.000 1.019 398 V HN 0.673 nan 8.190 nan 0.000 0.434 399 N N 3.673 122.174 118.700 -0.333 0.000 2.426 399 N HA 0.510 5.252 4.740 0.002 0.000 0.257 399 N C -0.656 174.717 175.510 -0.227 0.000 1.002 399 N CA -0.553 52.357 53.050 -0.233 0.000 0.942 399 N CB 1.116 39.481 38.487 -0.203 0.000 1.112 399 N HN 0.751 nan 8.380 nan 0.000 0.499 400 D N 1.560 121.859 120.400 -0.168 0.000 2.749 400 D HA 0.132 4.774 4.640 0.002 0.000 0.338 400 D C -2.099 174.067 176.300 -0.223 0.000 1.236 400 D CA -1.636 52.256 54.000 -0.181 0.000 0.845 400 D CB 0.767 41.504 40.800 -0.104 0.000 1.080 400 D HN 0.305 nan 8.370 nan 0.000 0.497 401 P HA -0.166 nan 4.420 nan 0.000 0.219 401 P C 1.017 178.131 177.300 -0.310 0.000 1.146 401 P CA 0.992 63.947 63.100 -0.241 0.000 0.808 401 P CB 0.611 32.203 31.700 -0.181 0.000 0.779 402 E N -0.196 119.730 120.200 -0.457 0.000 2.150 402 E HA -0.134 4.218 4.350 0.002 0.000 0.193 402 E C 2.398 178.649 176.600 -0.581 0.000 0.985 402 E CA 0.656 56.647 56.400 -0.681 0.000 0.814 402 E CB -0.314 28.591 29.700 -1.325 0.000 0.752 402 E HN 0.169 nan 8.360 nan 0.000 0.466 403 R N 0.703 120.936 120.500 -0.446 0.000 2.090 403 R HA -0.049 4.292 4.340 0.002 0.000 0.228 403 R C 2.129 178.435 176.300 0.010 0.000 1.110 403 R CA 0.848 56.976 56.100 0.048 0.000 0.973 403 R CB -0.060 30.310 30.300 0.117 0.000 0.869 403 R HN 0.144 nan 8.270 nan 0.000 0.440 404 I N 0.766 121.203 120.570 -0.222 0.000 2.226 404 I HA -0.237 3.935 4.170 0.002 0.000 0.245 404 I C 2.508 178.338 176.117 -0.479 0.000 1.100 404 I CA 1.303 62.268 61.300 -0.558 0.000 1.374 404 I CB -0.381 37.176 38.000 -0.738 0.000 1.057 404 I HN 0.297 nan 8.210 nan 0.000 0.413 405 A N 0.098 122.770 122.820 -0.247 0.000 1.902 405 A HA -0.282 4.039 4.320 0.002 0.000 0.217 405 A C 2.276 179.914 177.584 0.089 0.000 1.181 405 A CA 1.553 53.529 52.037 -0.101 0.000 0.623 405 A CB -0.979 17.983 19.000 -0.063 0.000 0.818 405 A HN 0.510 nan 8.150 nan 0.000 0.443 406 Y N 0.670 121.030 120.300 0.101 0.000 2.089 406 Y HA -0.188 4.363 4.550 0.002 0.000 0.282 406 Y C 2.405 178.535 175.900 0.383 0.000 1.139 406 Y CA 2.088 60.376 58.100 0.313 0.000 1.123 406 Y CB -0.541 38.151 38.460 0.386 0.000 0.980 406 Y HN 0.053 nan 8.280 nan 0.000 0.493 407 V N 1.369 121.644 119.914 0.601 0.000 2.407 407 V HA -0.304 3.818 4.120 0.002 0.000 0.248 407 V C 2.586 178.964 176.094 0.474 0.000 1.055 407 V CA 2.262 64.906 62.300 0.573 0.000 1.049 407 V CB -0.784 31.356 31.823 0.529 0.000 0.662 407 V HN 0.383 nan 8.190 nan 0.000 0.455 408 R N 0.153 120.844 120.500 0.319 0.000 2.070 408 R HA -0.191 4.150 4.340 0.002 0.000 0.233 408 R C 2.073 178.532 176.300 0.265 0.000 1.137 408 R CA 2.170 58.501 56.100 0.385 0.000 0.945 408 R CB -0.410 29.999 30.300 0.182 0.000 0.845 408 R HN 0.475 nan 8.270 nan 0.000 0.430 409 D N -0.394 120.107 120.400 0.169 0.000 2.149 409 D HA -0.149 4.493 4.640 0.002 0.000 0.198 409 D C 1.833 178.145 176.300 0.019 0.000 0.990 409 D CA 1.432 55.468 54.000 0.060 0.000 0.839 409 D CB -0.344 40.446 40.800 -0.018 0.000 0.948 409 D HN 0.451 nan 8.370 nan 0.000 0.460 410 H N -0.256 118.872 119.070 0.096 0.000 2.395 410 H HA 0.142 4.700 4.556 0.002 0.000 0.299 410 H C 2.154 177.632 175.328 0.250 0.000 1.070 410 H CA 0.491 56.639 56.048 0.167 0.000 1.356 410 H CB -0.123 29.776 29.762 0.229 0.000 1.401 410 H HN 0.062 nan 8.280 nan 0.000 0.524 411 L N -0.292 121.148 121.223 0.362 0.000 2.141 411 L HA -0.123 4.218 4.340 0.002 0.000 0.209 411 L C 2.554 179.681 176.870 0.428 0.000 1.094 411 L CA 0.839 55.897 54.840 0.362 0.000 0.763 411 L CB -0.402 41.834 42.059 0.295 0.000 0.908 411 L HN 0.338 nan 8.230 nan 0.000 0.437 412 A N -0.055 122.927 122.820 0.271 0.000 1.969 412 A HA -0.113 4.208 4.320 0.002 0.000 0.218 412 A C 2.505 180.161 177.584 0.120 0.000 1.169 412 A CA 1.532 53.663 52.037 0.155 0.000 0.635 412 A CB -0.506 18.538 19.000 0.072 0.000 0.810 412 A HN 0.392 nan 8.150 nan 0.000 0.445 413 A N -0.592 122.295 122.820 0.112 0.000 1.930 413 A HA 0.063 4.384 4.320 0.002 0.000 0.217 413 A C 2.182 179.887 177.584 0.202 0.000 1.175 413 A CA 1.613 53.703 52.037 0.089 0.000 0.627 413 A CB -0.740 18.288 19.000 0.047 0.000 0.815 413 A HN 0.344 nan 8.150 nan 0.000 0.443 414 V N -0.348 119.722 119.914 0.261 0.000 2.358 414 V HA -0.242 3.880 4.120 0.002 0.000 0.246 414 V C 2.516 178.714 176.094 0.174 0.000 1.047 414 V CA 2.031 64.504 62.300 0.289 0.000 1.035 414 V CB -0.970 31.110 31.823 0.428 0.000 0.658 414 V HN 0.777 nan 8.190 nan 0.000 0.452 415 H N 0.366 119.424 119.070 -0.019 0.000 2.387 415 H HA -0.144 4.414 4.556 0.002 0.000 0.299 415 H C 2.592 177.813 175.328 -0.178 0.000 1.090 415 H CA 2.012 57.840 56.048 -0.366 0.000 1.332 415 H CB 0.185 29.584 29.762 -0.605 0.000 1.386 415 H HN 0.260 nan 8.280 nan 0.000 0.516 416 R N 0.336 120.858 120.500 0.036 0.000 2.066 416 R HA 0.014 4.356 4.340 0.002 0.000 0.232 416 R C 2.728 179.097 176.300 0.114 0.000 1.131 416 R CA 1.245 57.345 56.100 0.001 0.000 0.955 416 R CB -1.242 28.959 30.300 -0.166 0.000 0.851 416 R HN 0.562 nan 8.270 nan 0.000 0.432 417 A N 0.684 123.676 122.820 0.286 0.000 1.948 417 A HA -0.103 4.219 4.320 0.002 0.000 0.220 417 A C 2.333 179.959 177.584 0.070 0.000 1.177 417 A CA 1.993 54.184 52.037 0.256 0.000 0.636 417 A CB -0.587 18.509 19.000 0.159 0.000 0.815 417 A HN 0.561 nan 8.150 nan 0.000 0.449 418 I N -0.391 120.164 120.570 -0.025 0.000 2.252 418 I HA -0.229 3.942 4.170 0.002 0.000 0.245 418 I C 3.090 179.132 176.117 -0.125 0.000 1.102 418 I CA 1.623 62.866 61.300 -0.096 0.000 1.385 418 I CB -0.401 37.469 38.000 -0.216 0.000 1.064 418 I HN 0.449 nan 8.210 nan 0.000 0.414 419 K N -0.064 120.224 120.400 -0.186 0.000 2.209 419 K HA -0.189 4.132 4.320 0.002 0.000 0.204 419 K C 1.467 178.042 176.600 -0.042 0.000 1.048 419 K CA 1.875 58.079 56.287 -0.138 0.000 0.940 419 K CB -0.757 31.660 32.500 -0.139 0.000 0.729 419 K HN 0.295 nan 8.250 nan 0.000 0.451 420 D N -1.376 119.030 120.400 0.011 0.000 2.349 420 D HA 0.186 4.828 4.640 0.002 0.000 0.224 420 D C 1.214 177.525 176.300 0.020 0.000 1.029 420 D CA 0.995 55.022 54.000 0.046 0.000 0.879 420 D CB 0.501 41.385 40.800 0.139 0.000 0.906 420 D HN 0.608 nan 8.370 nan 0.000 0.528 421 G N -0.268 108.533 108.800 0.002 0.000 2.231 421 G HA2 -0.230 3.731 3.960 0.002 0.000 0.206 421 G HA3 -0.230 3.731 3.960 0.002 0.000 0.206 421 G C 0.482 175.387 174.900 0.009 0.000 0.996 421 G CA -0.084 45.017 45.100 0.002 0.000 0.645 421 G HN 0.248 nan 8.290 nan 0.000 0.498 422 S N 1.282 116.988 115.700 0.010 0.000 2.537 422 S HA 0.356 4.827 4.470 0.002 0.000 0.286 422 S C 0.081 174.710 174.600 0.048 0.000 1.299 422 S CA 0.287 58.501 58.200 0.024 0.000 1.067 422 S CB 1.308 64.519 63.200 0.018 0.000 0.864 422 S HN 0.358 nan 8.310 nan 0.000 0.494 423 D N 3.706 124.143 120.400 0.063 0.000 2.619 423 D HA 0.192 4.834 4.640 0.002 0.000 0.224 423 D C -0.732 175.629 176.300 0.102 0.000 1.133 423 D CA -0.283 53.763 54.000 0.077 0.000 1.017 423 D CB -0.192 40.651 40.800 0.073 0.000 1.077 423 D HN 0.142 nan 8.370 nan 0.000 0.503 424 V N 4.031 124.029 119.914 0.140 0.000 2.370 424 V HA 0.340 4.462 4.120 0.002 0.000 0.279 424 V C 1.400 177.631 176.094 0.228 0.000 1.029 424 V CA -0.503 61.915 62.300 0.197 0.000 0.870 424 V CB 1.468 33.465 31.823 0.291 0.000 0.984 424 V HN 0.304 nan 8.190 nan 0.000 0.451 425 R N 2.793 123.308 120.500 0.025 0.000 2.397 425 R HA 0.463 4.804 4.340 0.002 0.000 0.241 425 R C 0.733 176.608 176.300 -0.709 0.000 0.914 425 R CA 0.326 56.328 56.100 -0.163 0.000 1.071 425 R CB 1.112 31.320 30.300 -0.153 0.000 1.116 425 R HN 0.823 nan 8.270 nan 0.000 0.524 426 G N -0.257 108.042 108.800 -0.835 0.000 2.576 426 G HA2 0.358 4.320 3.960 0.002 0.000 0.290 426 G HA3 0.358 4.320 3.960 0.002 0.000 0.290 426 G C -2.327 172.267 174.900 -0.509 0.000 1.442 426 G CA -0.481 43.908 45.100 -1.185 0.000 0.792 426 G HN 0.045 nan 8.290 nan 0.000 0.491 427 Y N -0.045 119.948 120.300 -0.512 0.000 2.401 427 Y HA 0.706 5.258 4.550 0.003 0.000 0.330 427 Y C -2.044 173.899 175.900 0.072 0.000 1.071 427 Y CA -1.619 56.508 58.100 0.046 0.000 1.049 427 Y CB 1.585 40.180 38.460 0.225 0.000 1.239 427 Y HN 0.425 nan 8.280 nan 0.000 0.437 428 F N 7.210 127.016 119.950 -0.240 0.000 2.427 428 F HA 0.421 4.950 4.527 0.003 0.000 0.348 428 F C -0.610 175.078 175.800 -0.188 0.000 1.125 428 F CA -0.953 57.022 58.000 -0.041 0.000 0.989 428 F CB 1.459 40.467 39.000 0.013 0.000 1.165 428 F HN 0.445 nan 8.300 nan 0.000 0.442 429 L N 5.351 126.660 121.223 0.144 0.000 2.410 429 L HA 0.154 4.496 4.340 0.002 0.000 0.273 429 L C -0.745 176.227 176.870 0.170 0.000 1.144 429 L CA -0.155 54.744 54.840 0.098 0.000 0.863 429 L CB 0.249 42.251 42.059 -0.094 0.000 1.140 429 L HN 0.689 nan 8.230 nan 0.000 0.463 430 W N 7.014 128.360 121.300 0.077 0.000 2.314 430 W HA 0.504 5.166 4.660 0.002 0.000 0.310 430 W C -0.803 175.814 176.519 0.163 0.000 1.075 430 W CA -0.420 56.983 57.345 0.097 0.000 1.253 430 W CB 1.636 31.143 29.460 0.078 0.000 1.238 430 W HN 0.708 nan 8.180 nan 0.000 0.440 431 S N 4.219 119.725 115.700 -0.322 0.000 2.704 431 S HA 0.335 4.807 4.470 0.002 0.000 0.296 431 S C 0.290 174.726 174.600 -0.273 0.000 1.138 431 S CA -0.660 57.095 58.200 -0.742 0.000 0.875 431 S CB 1.458 63.724 63.200 -1.555 0.000 1.151 431 S HN 0.543 nan 8.310 nan 0.000 0.500 432 L N 1.881 122.982 121.223 -0.203 0.000 2.093 432 L HA 0.426 4.767 4.340 0.002 0.000 0.208 432 L C -0.240 176.590 176.870 -0.067 0.000 1.085 432 L CA 1.810 56.624 54.840 -0.043 0.000 0.755 432 L CB -0.434 41.644 42.059 0.031 0.000 0.904 432 L HN 0.630 nan 8.230 nan 0.000 0.435 433 L N -0.626 120.516 121.223 -0.135 0.000 2.354 433 L HA 0.411 4.753 4.340 0.002 0.000 0.264 433 L C -0.633 176.185 176.870 -0.086 0.000 1.008 433 L CA -1.158 53.627 54.840 -0.092 0.000 0.819 433 L CB 1.343 43.359 42.059 -0.071 0.000 1.339 433 L HN -0.222 nan 8.230 nan 0.000 0.420 434 D N 1.678 122.049 120.400 -0.048 0.000 2.443 434 D HA 0.263 4.905 4.640 0.002 0.000 0.239 434 D C -0.525 175.860 176.300 0.143 0.000 1.136 434 D CA 0.553 54.573 54.000 0.033 0.000 0.879 434 D CB 0.673 41.422 40.800 -0.086 0.000 1.195 434 D HN 0.667 nan 8.370 nan 0.000 0.443 435 N N -0.552 118.283 118.700 0.225 0.000 3.364 435 N HA 0.229 4.971 4.740 0.002 0.000 0.294 435 N C -1.361 174.204 175.510 0.092 0.000 1.562 435 N CA -0.905 52.282 53.050 0.228 0.000 0.862 435 N CB 0.150 38.649 38.487 0.021 0.000 1.691 435 N HN 0.193 nan 8.380 nan 0.000 0.572 436 F N 0.953 120.717 119.950 -0.311 0.000 2.490 436 F HA 0.248 4.777 4.527 0.002 0.000 0.357 436 F C 0.649 176.029 175.800 -0.701 0.000 1.166 436 F CA -0.252 57.261 58.000 -0.811 0.000 1.116 436 F CB 0.271 38.744 39.000 -0.878 0.000 1.171 436 F HN 0.607 nan 8.300 nan 0.000 0.576 437 E N 7.323 127.025 120.200 -0.830 0.000 2.261 437 E HA 0.152 4.503 4.350 0.002 0.000 0.308 437 E C -0.152 176.066 176.600 -0.637 0.000 1.400 437 E CA -0.054 55.995 56.400 -0.585 0.000 1.542 437 E CB -0.558 29.066 29.700 -0.125 0.000 1.369 437 E HN 0.704 nan 8.360 nan 0.000 0.493 438 W N 1.079 121.881 121.300 -0.830 0.000 1.933 438 W HA -0.477 4.184 4.660 0.002 0.000 0.279 438 W C 1.899 178.197 176.519 -0.370 0.000 1.131 438 W CA 0.950 57.884 57.345 -0.685 0.000 1.071 438 W CB -1.632 27.596 29.460 -0.387 0.000 0.881 438 W HN 0.339 nan 8.180 nan 0.000 0.547 439 A N -0.739 122.365 122.820 0.474 0.000 2.084 439 A HA -0.208 4.113 4.320 0.002 0.000 0.221 439 A C 1.327 179.003 177.584 0.155 0.000 1.161 439 A CA 2.331 54.631 52.037 0.438 0.000 0.653 439 A CB -1.049 18.276 19.000 0.542 0.000 0.802 439 A HN 0.634 nan 8.150 nan 0.000 0.457 440 H N -1.226 117.859 119.070 0.025 0.000 2.547 440 H HA 0.359 4.916 4.556 0.002 0.000 0.266 440 H C 1.716 176.927 175.328 -0.195 0.000 0.988 440 H CA 0.415 56.437 56.048 -0.044 0.000 1.147 440 H CB 0.019 29.767 29.762 -0.024 0.000 1.365 440 H HN 0.691 nan 8.280 nan 0.000 0.589 441 G N 0.723 109.228 108.800 -0.490 0.000 2.566 441 G HA2 -0.386 3.575 3.960 0.002 0.000 0.280 441 G HA3 -0.386 3.575 3.960 0.002 0.000 0.280 441 G C 0.256 174.746 174.900 -0.682 0.000 1.225 441 G CA 0.539 45.227 45.100 -0.687 0.000 0.966 441 G HN 0.493 nan 8.290 nan 0.000 0.560 442 Y N 1.721 121.918 120.300 -0.173 0.000 2.462 442 Y HA 0.316 4.867 4.550 0.002 0.000 0.293 442 Y C 2.747 178.634 175.900 -0.022 0.000 1.195 442 Y CA 0.931 58.924 58.100 -0.178 0.000 1.276 442 Y CB 0.191 38.373 38.460 -0.463 0.000 1.082 442 Y HN 0.571 nan 8.280 nan 0.000 0.514 443 S N -1.008 114.727 115.700 0.059 0.000 2.515 443 S HA 0.020 4.492 4.470 0.002 0.000 0.231 443 S C 0.455 175.092 174.600 0.061 0.000 0.987 443 S CA 0.216 58.471 58.200 0.090 0.000 0.936 443 S CB -0.017 63.221 63.200 0.063 0.000 0.766 443 S HN -0.007 nan 8.310 nan 0.000 0.528 444 K N 1.919 122.315 120.400 -0.007 0.000 2.413 444 K HA 0.438 4.759 4.320 0.002 0.000 0.257 444 K C -0.950 175.614 176.600 -0.061 0.000 0.946 444 K CA -0.197 56.016 56.287 -0.123 0.000 0.823 444 K CB 1.740 34.136 32.500 -0.173 0.000 1.109 444 K HN 0.249 nan 8.250 nan 0.000 0.427 445 R N 2.352 122.763 120.500 -0.148 0.000 2.295 445 R HA 0.373 4.715 4.340 0.002 0.000 0.324 445 R C 0.116 176.306 176.300 -0.183 0.000 0.968 445 R CA -0.294 55.781 56.100 -0.041 0.000 0.837 445 R CB 0.574 30.895 30.300 0.035 0.000 1.133 445 R HN 0.492 nan 8.270 nan 0.000 0.450 446 F N 0.219 120.164 119.950 -0.009 0.000 2.724 446 F HA 0.235 4.763 4.527 0.002 0.000 0.306 446 F C 1.628 177.410 175.800 -0.030 0.000 1.100 446 F CA -0.283 57.720 58.000 0.005 0.000 1.255 446 F CB 0.757 39.840 39.000 0.140 0.000 1.072 446 F HN 0.641 nan 8.300 nan 0.000 0.589 447 G N -0.099 108.764 108.800 0.105 0.000 2.594 447 G HA2 0.327 4.288 3.960 0.002 0.000 0.243 447 G HA3 0.327 4.288 3.960 0.002 0.000 0.243 447 G C 0.911 175.848 174.900 0.061 0.000 1.229 447 G CA 0.214 45.333 45.100 0.031 0.000 0.843 447 G HN 0.292 nan 8.290 nan 0.000 0.578 448 A N 0.487 123.337 122.820 0.050 0.000 2.081 448 A HA 0.402 4.723 4.320 0.002 0.000 0.214 448 A C 0.767 178.398 177.584 0.078 0.000 1.158 448 A CA 0.574 52.661 52.037 0.082 0.000 0.724 448 A CB 0.252 19.313 19.000 0.102 0.000 0.826 448 A HN 0.549 nan 8.150 nan 0.000 0.463 449 V N 0.215 120.162 119.914 0.054 0.000 2.409 449 V HA 0.267 4.389 4.120 0.002 0.000 0.291 449 V C -0.521 175.603 176.094 0.051 0.000 1.020 449 V CA -0.846 61.486 62.300 0.053 0.000 0.848 449 V CB 0.948 32.785 31.823 0.024 0.000 0.990 449 V HN 0.419 nan 8.190 nan 0.000 0.430 450 Y N 5.486 125.754 120.300 -0.053 0.000 2.411 450 Y HA 0.513 5.064 4.550 0.002 0.000 0.333 450 Y C -0.250 175.571 175.900 -0.132 0.000 1.186 450 Y CA 0.062 58.110 58.100 -0.086 0.000 1.381 450 Y CB 1.180 39.589 38.460 -0.084 0.000 1.273 450 Y HN 0.387 nan 8.280 nan 0.000 0.546 451 V N 6.210 125.532 119.914 -0.987 0.000 2.443 451 V HA 0.131 4.253 4.120 0.002 0.000 0.293 451 V C -1.025 174.277 176.094 -1.319 0.000 1.021 451 V CA -0.982 60.788 62.300 -0.883 0.000 0.848 451 V CB 1.505 32.944 31.823 -0.641 0.000 0.998 451 V HN 0.780 nan 8.190 nan 0.000 0.424 452 D N 3.354 123.330 120.400 -0.707 0.000 2.374 452 D HA 0.210 4.852 4.640 0.002 0.000 0.240 452 D C 0.814 176.900 176.300 -0.357 0.000 1.229 452 D CA 0.093 53.851 54.000 -0.403 0.000 0.895 452 D CB 0.463 41.266 40.800 0.005 0.000 1.046 452 D HN 0.506 nan 8.370 nan 0.000 0.498 453 Y N 2.939 123.124 120.300 -0.192 0.000 2.151 453 Y HA -0.164 4.388 4.550 0.003 0.000 0.284 453 Y C -0.435 175.378 175.900 -0.145 0.000 1.166 453 Y CA 0.897 58.870 58.100 -0.212 0.000 1.163 453 Y CB -1.273 36.986 38.460 -0.335 0.000 0.974 453 Y HN 0.505 nan 8.280 nan 0.000 0.511 454 P HA -0.149 nan 4.420 nan 0.000 0.217 454 P C 1.447 178.752 177.300 0.009 0.000 1.150 454 P CA 2.383 65.496 63.100 0.020 0.000 0.832 454 P CB -0.105 31.610 31.700 0.025 0.000 0.787 455 T N -6.642 107.911 114.554 -0.002 0.000 2.990 455 T HA 0.357 4.709 4.350 0.002 0.000 0.250 455 T C 1.583 176.276 174.700 -0.011 0.000 1.041 455 T CA 0.538 62.636 62.100 -0.003 0.000 1.010 455 T CB -0.395 68.473 68.868 -0.000 0.000 1.003 455 T HN 0.195 nan 8.240 nan 0.000 0.499 456 G N 1.500 110.280 108.800 -0.035 0.000 2.162 456 G HA2 -0.261 3.701 3.960 0.002 0.000 0.260 456 G HA3 -0.261 3.701 3.960 0.002 0.000 0.260 456 G C 0.197 175.062 174.900 -0.058 0.000 0.976 456 G CA 0.240 45.315 45.100 -0.043 0.000 0.655 456 G HN 0.727 nan 8.290 nan 0.000 0.533 457 T N 1.059 115.583 114.554 -0.050 0.000 2.908 457 T HA 0.401 4.752 4.350 0.002 0.000 0.301 457 T C 0.759 175.440 174.700 -0.030 0.000 1.019 457 T CA 0.338 62.424 62.100 -0.023 0.000 1.152 457 T CB 0.667 69.543 68.868 0.012 0.000 0.966 457 T HN 0.416 nan 8.240 nan 0.000 0.540 458 R N 2.777 123.271 120.500 -0.011 0.000 2.265 458 R HA 0.531 4.872 4.340 0.002 0.000 0.319 458 R C -0.335 175.995 176.300 0.049 0.000 1.006 458 R CA -0.228 55.872 56.100 0.001 0.000 0.880 458 R CB 0.692 30.985 30.300 -0.011 0.000 1.077 458 R HN 0.588 nan 8.270 nan 0.000 0.454 459 I N 5.110 125.750 120.570 0.116 0.000 2.420 459 I HA 0.311 4.482 4.170 0.002 0.000 0.282 459 I C -2.225 173.935 176.117 0.072 0.000 1.019 459 I CA -2.506 58.847 61.300 0.089 0.000 1.130 459 I CB 2.169 40.215 38.000 0.078 0.000 1.262 459 I HN 0.288 nan 8.210 nan 0.000 0.454 460 P HA 0.047 nan 4.420 nan 0.000 0.263 460 P C -0.601 176.715 177.300 0.027 0.000 1.195 460 P CA 0.170 63.293 63.100 0.038 0.000 0.762 460 P CB 0.427 32.142 31.700 0.025 0.000 0.799 461 K N 2.299 122.724 120.400 0.042 0.000 2.117 461 K HA 0.383 4.705 4.320 0.002 0.000 0.240 461 K C 1.504 178.117 176.600 0.023 0.000 1.031 461 K CA -0.470 55.823 56.287 0.011 0.000 0.909 461 K CB 0.339 32.855 32.500 0.026 0.000 1.097 461 K HN 0.272 nan 8.250 nan 0.000 0.492 462 A N 0.918 123.734 122.820 -0.007 0.000 1.940 462 A HA -0.206 4.115 4.320 0.002 0.000 0.219 462 A C 2.192 179.833 177.584 0.095 0.000 1.176 462 A CA 2.304 54.352 52.037 0.017 0.000 0.631 462 A CB -0.979 18.000 19.000 -0.035 0.000 0.814 462 A HN 0.792 nan 8.150 nan 0.000 0.446 463 S N 0.254 116.009 115.700 0.092 0.000 2.399 463 S HA -0.006 4.466 4.470 0.002 0.000 0.231 463 S C 2.064 176.854 174.600 0.317 0.000 1.022 463 S CA 1.353 59.674 58.200 0.202 0.000 0.983 463 S CB -0.731 62.550 63.200 0.136 0.000 0.803 463 S HN 0.932 nan 8.310 nan 0.000 0.480 464 A N 2.210 125.154 122.820 0.207 0.000 1.883 464 A HA -0.092 4.229 4.320 0.002 0.000 0.217 464 A C 2.523 180.218 177.584 0.185 0.000 1.186 464 A CA 1.701 53.861 52.037 0.204 0.000 0.624 464 A CB -0.838 18.236 19.000 0.123 0.000 0.822 464 A HN 0.532 nan 8.150 nan 0.000 0.444 465 R N -2.296 118.291 120.500 0.146 0.000 2.092 465 R HA -0.138 4.204 4.340 0.002 0.000 0.231 465 R C 1.868 178.238 176.300 0.118 0.000 1.119 465 R CA 1.244 57.401 56.100 0.095 0.000 0.970 465 R CB -1.607 28.737 30.300 0.073 0.000 0.864 465 R HN 0.939 nan 8.270 nan 0.000 0.440 466 W N 0.367 121.679 121.300 0.019 0.000 2.379 466 W HA -0.175 4.486 4.660 0.003 0.000 0.307 466 W C 2.126 178.655 176.519 0.017 0.000 1.200 466 W CA 1.221 58.573 57.345 0.012 0.000 1.297 466 W CB -0.696 28.784 29.460 0.033 0.000 1.140 466 W HN 0.353 nan 8.180 nan 0.000 0.507 467 Y N 0.931 121.258 120.300 0.045 0.000 2.207 467 Y HA -0.245 4.307 4.550 0.003 0.000 0.287 467 Y C 2.405 178.087 175.900 -0.364 0.000 1.156 467 Y CA 2.251 60.214 58.100 -0.230 0.000 1.182 467 Y CB -0.607 37.918 38.460 0.109 0.000 0.979 467 Y HN 0.027 nan 8.280 nan 0.000 0.521 468 A N 0.178 122.850 122.820 -0.247 0.000 1.908 468 A HA -0.221 4.100 4.320 0.002 0.000 0.218 468 A C 2.100 179.428 177.584 -0.427 0.000 1.181 468 A CA 1.859 53.702 52.037 -0.322 0.000 0.627 468 A CB -0.692 18.224 19.000 -0.140 0.000 0.818 468 A HN 0.470 nan 8.150 nan 0.000 0.445 469 E N -0.070 119.890 120.200 -0.400 0.000 2.085 469 E HA -0.131 4.220 4.350 0.002 0.000 0.194 469 E C 2.207 178.471 176.600 -0.560 0.000 0.994 469 E CA 1.410 57.568 56.400 -0.402 0.000 0.801 469 E CB -0.482 29.007 29.700 -0.351 0.000 0.743 469 E HN 0.346 nan 8.360 nan 0.000 0.453 470 V N 1.115 120.533 119.914 -0.828 0.000 2.295 470 V HA -0.238 3.884 4.120 0.002 0.000 0.246 470 V C 2.413 177.749 176.094 -1.263 0.000 1.049 470 V CA 1.806 63.490 62.300 -1.027 0.000 1.024 470 V CB -0.825 30.212 31.823 -1.309 0.000 0.648 470 V HN 0.282 nan 8.190 nan 0.000 0.447 471 A N -0.247 121.758 122.820 -1.358 0.000 2.121 471 A HA -0.197 4.124 4.320 0.002 0.000 0.218 471 A C 2.391 179.622 177.584 -0.590 0.000 1.154 471 A CA 1.758 53.039 52.037 -1.260 0.000 0.679 471 A CB -0.491 17.979 19.000 -0.883 0.000 0.795 471 A HN 0.535 nan 8.150 nan 0.000 0.458 472 R N -0.323 119.896 120.500 -0.468 0.000 2.057 472 R HA -0.076 4.266 4.340 0.002 0.000 0.224 472 R C 2.067 178.259 176.300 -0.181 0.000 1.136 472 R CA 1.961 57.909 56.100 -0.253 0.000 0.968 472 R CB -0.364 29.803 30.300 -0.221 0.000 0.863 472 R HN 0.528 nan 8.270 nan 0.000 0.433 473 T N -3.817 110.603 114.554 -0.223 0.000 3.037 473 T HA 0.224 4.576 4.350 0.002 0.000 0.251 473 T C 1.340 176.003 174.700 -0.063 0.000 1.079 473 T CA 0.535 62.560 62.100 -0.125 0.000 1.067 473 T CB 0.634 69.424 68.868 -0.131 0.000 0.948 473 T HN 0.461 nan 8.240 nan 0.000 0.496 474 G N 1.030 109.750 108.800 -0.134 0.000 2.168 474 G HA2 -0.241 3.720 3.960 0.002 0.000 0.263 474 G HA3 -0.241 3.720 3.960 0.002 0.000 0.263 474 G C 0.089 175.068 174.900 0.132 0.000 0.977 474 G CA 0.211 45.381 45.100 0.117 0.000 0.659 474 G HN 0.736 nan 8.290 nan 0.000 0.533 475 V N 1.099 120.983 119.914 -0.049 0.000 2.432 475 V HA 0.597 4.718 4.120 0.002 0.000 0.275 475 V C 0.343 176.382 176.094 -0.091 0.000 1.043 475 V CA -0.584 61.704 62.300 -0.021 0.000 0.925 475 V CB 1.606 33.393 31.823 -0.059 0.000 0.985 475 V HN 0.395 nan 8.190 nan 0.000 0.466 476 L N 9.572 130.808 121.223 0.023 0.000 2.277 476 L HA 0.619 4.961 4.340 0.002 0.000 0.284 476 L C -2.491 174.395 176.870 0.026 0.000 1.028 476 L CA -1.882 52.973 54.840 0.024 0.000 0.835 476 L CB 1.398 43.594 42.059 0.228 0.000 1.215 476 L HN 0.387 nan 8.230 nan 0.000 0.425 477 P HA 0.350 nan 4.420 nan 0.000 0.282 477 P C -0.830 176.547 177.300 0.128 0.000 1.262 477 P CA -0.305 62.839 63.100 0.073 0.000 0.773 477 P CB 0.871 32.625 31.700 0.089 0.000 0.879 478 T N 0.501 115.096 114.554 0.068 0.000 2.910 478 T HA 0.916 5.268 4.350 0.002 0.000 0.279 478 T C -0.210 174.517 174.700 0.045 0.000 0.989 478 T CA -0.784 61.353 62.100 0.062 0.000 0.968 478 T CB 1.572 70.451 68.868 0.019 0.000 1.135 478 T HN 0.542 nan 8.240 nan 0.000 0.562 479 A N 0.000 122.839 122.820 0.032 0.000 2.254 479 A HA 0.000 4.322 4.320 0.002 0.000 0.244 479 A CA 0.000 nan 52.037 nan 0.000 0.836 479 A CB 0.000 19.002 19.000 0.002 0.000 0.831 479 A HN 0.000 nan 8.150 nan 0.000 0.486