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 1hc1_1_A DATA FIRST_RESID 5 DATA SEQUENCE TGNAQKQQDI NHLLDKIYEP TKYPDLKDIA ENFNPLGDTS IYNDHGAAVE DATA SEQUENCE TLMKELNDHR LLEQRHWYSL FNTRQRKEAL MLFAVLNQcK EWYcFRSNAA DATA SEQUENCE YFRERMNEGE FVYALYVSVI HSKLGDGIVL PPLYQITPHM FTNSEVIDKA DATA SEQUENCE YSAKMTQKPG TFNVSFXXXX KNREQRVAYF GEDIGMNIHH VTWHMDFPFW DATA SEQUENCE WEDSYGYHLD RKGELFFWVH HQLTARFDFE RLSNWLDPVD ELHWDRIIRE DATA SEQUENCE GFAPLTSYKY GGEFPVRPDN IHFEDVDGVA HVHDLEITES RIHEAIDHGY DATA SEQUENCE ITDSDGHTID IRQPKGIELL GDIIESSKYS SNVQYYGSLH NTAHVMLGRQ DATA SEQUENCE GDPHGKFNLP PGVMEHFETA TRDPSFFRLH KYMDNIFKKH TDSFPPYTHD DATA SEQUENCE NLEFSGMVVN GVAIDGELIT FFDEFQYSLI NAVDSGENIE DVEINARVHR DATA SEQUENCE LNHNEFTYKI TMSNNNDGER LATFRIFLcP IEDNNGITLT LDEARWFcIE DATA SEQUENCE LDKFFQKVPS GPETIERSSK DSSVTVPDMP SFQSLKEQAD NAVNGGXXLD DATA SEQUENCE LSAYERScGI PDRMLLPKSK PEGMEFNLYV AVTDGDKDTE GHXXXXXXXX DATA SEQUENCE XHAQcGVHGE AYPDNRPLGY PLERRIPDER VIDGVSNIKH VVVKIVHHL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.593 174.700 -0.178 0.000 1.109 5 T CA 0.000 62.030 62.100 -0.117 0.000 1.349 5 T CB 0.000 68.814 68.868 -0.090 0.000 0.612 6 G N 3.460 112.169 108.800 -0.152 0.000 2.833 6 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.186 6 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.186 6 G C 0.901 175.674 174.900 -0.211 0.000 1.437 6 G CA 2.150 47.163 45.100 -0.146 0.000 0.813 6 G HN 1.006 nan 8.290 nan 0.000 0.663 7 N N -3.485 115.078 118.700 -0.229 0.000 2.458 7 N HA 0.084 4.824 4.740 -0.000 0.000 0.329 7 N C 1.501 176.885 175.510 -0.210 0.000 0.778 7 N CA 1.410 54.294 53.050 -0.278 0.000 0.837 7 N CB -0.816 37.518 38.487 -0.255 0.000 2.427 7 N HN 0.649 nan 8.380 nan 0.000 1.134 8 A N 0.817 123.547 122.820 -0.150 0.000 1.903 8 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 8 A C 2.069 179.578 177.584 -0.124 0.000 1.191 8 A CA 2.093 54.064 52.037 -0.110 0.000 0.638 8 A CB -0.695 18.255 19.000 -0.082 0.000 0.823 8 A HN 0.399 nan 8.150 nan 0.000 0.451 9 Q N -0.245 119.470 119.800 -0.141 0.000 1.942 9 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 9 Q C 2.172 178.068 176.000 -0.173 0.000 0.987 9 Q CA 1.712 57.436 55.803 -0.132 0.000 0.844 9 Q CB -0.548 28.101 28.738 -0.148 0.000 0.911 9 Q HN 0.702 nan 8.270 nan 0.000 0.423 10 K N 0.593 120.766 120.400 -0.378 0.000 2.000 10 K HA -0.286 4.034 4.320 -0.000 0.000 0.218 10 K C 2.168 178.623 176.600 -0.243 0.000 1.053 10 K CA 2.023 57.903 56.287 -0.679 0.000 0.946 10 K CB -0.316 31.492 32.500 -1.154 0.000 0.723 10 K HN 0.144 nan 8.250 nan 0.000 0.446 11 Q N 1.363 121.028 119.800 -0.225 0.000 2.062 11 Q HA -0.288 4.052 4.340 -0.000 0.000 0.209 11 Q C 2.140 178.073 176.000 -0.111 0.000 0.996 11 Q CA 2.498 58.223 55.803 -0.130 0.000 0.859 11 Q CB -0.270 28.397 28.738 -0.117 0.000 0.920 11 Q HN 0.403 nan 8.270 nan 0.000 0.415 12 Q N -0.147 119.562 119.800 -0.152 0.000 2.002 12 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 12 Q C 1.593 177.361 176.000 -0.386 0.000 0.988 12 Q CA 2.090 57.729 55.803 -0.273 0.000 0.843 12 Q CB -0.376 28.227 28.738 -0.224 0.000 0.908 12 Q HN 0.528 nan 8.270 nan 0.000 0.420 13 D N 0.065 120.362 120.400 -0.172 0.000 2.149 13 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 13 D C 1.943 178.258 176.300 0.025 0.000 1.001 13 D CA 1.429 55.416 54.000 -0.022 0.000 0.849 13 D CB -0.056 40.908 40.800 0.273 0.000 0.939 13 D HN 0.316 nan 8.370 nan 0.000 0.449 14 I N 2.161 122.781 120.570 0.083 0.000 2.133 14 I HA -0.223 3.947 4.170 -0.000 0.000 0.238 14 I C 2.066 178.229 176.117 0.078 0.000 1.074 14 I CA 1.018 62.382 61.300 0.106 0.000 1.342 14 I CB -0.553 37.506 38.000 0.097 0.000 1.053 14 I HN 0.004 nan 8.210 nan 0.000 0.404 15 N N -0.376 118.357 118.700 0.055 0.000 2.192 15 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 15 N C 1.818 177.390 175.510 0.104 0.000 1.013 15 N CA 1.541 54.719 53.050 0.213 0.000 0.863 15 N CB -0.695 37.822 38.487 0.051 0.000 0.990 15 N HN 0.607 nan 8.380 nan 0.000 0.430 16 H N 1.094 120.068 119.070 -0.160 0.000 2.319 16 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 16 H C 2.369 177.595 175.328 -0.171 0.000 1.092 16 H CA 0.788 56.543 56.048 -0.487 0.000 1.302 16 H CB -0.023 29.271 29.762 -0.780 0.000 1.373 16 H HN 0.078 nan 8.280 nan 0.000 0.497 17 L N 0.398 121.691 121.223 0.117 0.000 2.012 17 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 17 L C 1.546 178.576 176.870 0.266 0.000 1.073 17 L CA 1.142 56.099 54.840 0.196 0.000 0.748 17 L CB -0.219 41.986 42.059 0.243 0.000 0.891 17 L HN 0.284 nan 8.230 nan 0.000 0.431 18 L N -1.000 120.389 121.223 0.276 0.000 2.645 18 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 18 L C 0.105 177.177 176.870 0.336 0.000 1.165 18 L CA -0.388 54.618 54.840 0.277 0.000 0.944 18 L CB -0.582 41.588 42.059 0.185 0.000 1.149 18 L HN 0.104 nan 8.230 nan 0.000 0.446 19 D N 0.753 121.376 120.400 0.371 0.000 2.283 19 D HA 0.117 4.757 4.640 -0.000 0.000 0.248 19 D C 0.280 176.768 176.300 0.314 0.000 1.072 19 D CA -0.462 53.796 54.000 0.430 0.000 0.929 19 D CB 0.709 41.776 40.800 0.446 0.000 1.182 19 D HN -0.053 nan 8.370 nan 0.000 0.433 20 K N 2.574 123.157 120.400 0.304 0.000 3.679 20 K HA -0.240 4.080 4.320 -0.000 0.000 0.274 20 K C 0.919 177.619 176.600 0.168 0.000 0.839 20 K CA -0.022 56.412 56.287 0.245 0.000 0.663 20 K CB -1.255 31.369 32.500 0.206 0.000 1.638 20 K HN 0.497 nan 8.250 nan 0.000 0.443 21 I N -0.128 120.500 120.570 0.097 0.000 2.623 21 I HA -0.265 3.905 4.170 -0.000 0.000 0.261 21 I C 1.277 177.251 176.117 -0.239 0.000 1.204 21 I CA 1.589 62.838 61.300 -0.086 0.000 1.444 21 I CB -0.112 37.763 38.000 -0.208 0.000 1.094 21 I HN 0.308 nan 8.210 nan 0.000 0.451 22 Y N 1.584 122.000 120.300 0.193 0.000 2.495 22 Y HA 0.289 4.839 4.550 -0.000 0.000 0.293 22 Y C 0.123 176.140 175.900 0.194 0.000 1.186 22 Y CA -0.391 57.846 58.100 0.227 0.000 1.266 22 Y CB -0.542 38.043 38.460 0.209 0.000 1.101 22 Y HN 0.324 nan 8.280 nan 0.000 0.517 23 E N -1.038 119.277 120.200 0.192 0.000 2.381 23 E HA 0.265 4.615 4.350 -0.000 0.000 0.286 23 E C -3.117 173.526 176.600 0.070 0.000 0.960 23 E CA -2.550 53.928 56.400 0.130 0.000 0.793 23 E CB 1.342 31.124 29.700 0.137 0.000 1.225 23 E HN -0.232 nan 8.360 nan 0.000 0.420 24 P HA -0.177 nan 4.420 nan 0.000 0.265 24 P C 0.049 177.363 177.300 0.024 0.000 1.151 24 P CA 0.594 63.694 63.100 0.000 0.000 0.755 24 P CB 0.082 31.778 31.700 -0.007 0.000 0.756 25 T N 0.603 115.169 114.554 0.019 0.000 2.918 25 T HA 0.144 4.494 4.350 -0.000 0.000 0.302 25 T C 1.107 175.840 174.700 0.055 0.000 1.045 25 T CA -0.557 61.591 62.100 0.080 0.000 1.114 25 T CB 1.069 70.024 68.868 0.145 0.000 0.965 25 T HN 0.343 nan 8.240 nan 0.000 0.540 26 K N 0.391 120.828 120.400 0.063 0.000 2.353 26 K HA 0.073 4.393 4.320 -0.000 0.000 0.195 26 K C -0.525 176.004 176.600 -0.118 0.000 1.031 26 K CA 0.100 56.345 56.287 -0.070 0.000 1.079 26 K CB 0.242 32.649 32.500 -0.154 0.000 0.857 26 K HN 0.621 nan 8.250 nan 0.000 0.535 27 Y N 2.995 123.243 120.300 -0.087 0.000 2.477 27 Y HA 0.099 4.649 4.550 -0.000 0.000 0.349 27 Y C -1.339 174.527 175.900 -0.057 0.000 0.977 27 Y CA -2.435 55.586 58.100 -0.131 0.000 1.214 27 Y CB 0.536 38.833 38.460 -0.271 0.000 1.124 27 Y HN -0.016 nan 8.280 nan 0.000 0.521 28 P HA -0.279 nan 4.420 nan 0.000 0.218 28 P C 0.632 177.970 177.300 0.063 0.000 1.147 28 P CA 1.994 65.121 63.100 0.044 0.000 0.827 28 P CB 0.420 32.133 31.700 0.022 0.000 0.778 29 D N 0.406 120.861 120.400 0.091 0.000 2.110 29 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 29 D C 2.273 178.623 176.300 0.084 0.000 0.975 29 D CA 0.676 54.733 54.000 0.095 0.000 0.839 29 D CB -1.123 39.748 40.800 0.118 0.000 0.996 29 D HN 0.187 nan 8.370 nan 0.000 0.464 30 L N 0.475 121.754 121.223 0.092 0.000 2.129 30 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 30 L C 2.795 179.685 176.870 0.033 0.000 1.087 30 L CA 1.324 56.200 54.840 0.059 0.000 0.757 30 L CB -0.478 41.626 42.059 0.076 0.000 0.896 30 L HN 0.032 nan 8.230 nan 0.000 0.434 31 K N 0.568 120.995 120.400 0.044 0.000 1.973 31 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 31 K C 1.878 178.491 176.600 0.022 0.000 1.047 31 K CA 1.895 58.194 56.287 0.020 0.000 0.937 31 K CB -0.310 32.202 32.500 0.020 0.000 0.721 31 K HN 0.420 nan 8.250 nan 0.000 0.440 32 D N 0.195 120.620 120.400 0.042 0.000 2.348 32 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 32 D C 1.684 178.034 176.300 0.083 0.000 0.970 32 D CA 0.805 54.838 54.000 0.055 0.000 0.889 32 D CB 0.012 40.843 40.800 0.052 0.000 0.912 32 D HN 0.427 nan 8.370 nan 0.000 0.524 33 I N 1.128 121.744 120.570 0.076 0.000 2.406 33 I HA -0.096 4.074 4.170 -0.000 0.000 0.249 33 I C 2.818 179.009 176.117 0.123 0.000 1.122 33 I CA 0.817 62.180 61.300 0.106 0.000 1.431 33 I CB -0.272 37.756 38.000 0.047 0.000 1.087 33 I HN -0.034 nan 8.210 nan 0.000 0.424 34 A N 0.398 123.242 122.820 0.040 0.000 2.024 34 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 34 A C 2.217 179.785 177.584 -0.026 0.000 1.164 34 A CA 1.790 53.802 52.037 -0.042 0.000 0.643 34 A CB -0.381 18.568 19.000 -0.085 0.000 0.806 34 A HN 0.489 nan 8.150 nan 0.000 0.451 35 E N -1.342 118.885 120.200 0.045 0.000 2.206 35 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 35 E C 0.945 177.608 176.600 0.106 0.000 0.935 35 E CA 0.252 56.680 56.400 0.047 0.000 0.875 35 E CB 0.010 29.725 29.700 0.025 0.000 0.841 35 E HN 0.501 nan 8.360 nan 0.000 0.477 36 N N 0.239 119.016 118.700 0.129 0.000 2.325 36 N HA 0.017 4.757 4.740 -0.000 0.000 0.182 36 N C 0.114 175.712 175.510 0.147 0.000 1.088 36 N CA 0.029 53.149 53.050 0.117 0.000 0.879 36 N CB 0.251 38.792 38.487 0.090 0.000 0.983 36 N HN 0.002 nan 8.380 nan 0.000 0.471 37 F N 2.169 122.162 119.950 0.072 0.000 2.450 37 F HA 0.177 4.704 4.527 -0.000 0.000 0.339 37 F C 0.602 176.346 175.800 -0.093 0.000 1.146 37 F CA -0.234 57.771 58.000 0.009 0.000 1.267 37 F CB 0.562 39.553 39.000 -0.014 0.000 1.178 37 F HN -0.123 nan 8.300 nan 0.000 0.585 38 N N 6.846 125.207 118.700 -0.565 0.000 2.577 38 N HA 0.243 4.983 4.740 -0.000 0.000 0.275 38 N C -2.339 172.798 175.510 -0.621 0.000 1.091 38 N CA -1.636 51.127 53.050 -0.479 0.000 0.843 38 N CB 2.089 40.389 38.487 -0.313 0.000 1.295 38 N HN 0.301 nan 8.380 nan 0.000 0.530 39 P HA -0.037 nan 4.420 nan 0.000 0.228 39 P C 0.835 178.118 177.300 -0.029 0.000 1.151 39 P CA 0.637 63.725 63.100 -0.020 0.000 0.770 39 P CB 0.602 32.201 31.700 -0.168 0.000 0.786 40 L N -1.349 119.793 121.223 -0.135 0.000 2.857 40 L HA 0.385 4.725 4.340 -0.000 0.000 0.249 40 L C 0.830 177.655 176.870 -0.076 0.000 1.172 40 L CA -0.204 54.579 54.840 -0.096 0.000 0.980 40 L CB 0.316 42.318 42.059 -0.095 0.000 1.299 40 L HN -0.068 nan 8.230 nan 0.000 0.535 41 G N -0.470 108.264 108.800 -0.110 0.000 2.814 41 G HA2 0.446 4.406 3.960 -0.000 0.000 0.300 41 G HA3 0.446 4.406 3.960 -0.000 0.000 0.300 41 G C -1.035 173.828 174.900 -0.060 0.000 1.406 41 G CA -0.004 45.050 45.100 -0.077 0.000 1.041 41 G HN 0.072 nan 8.290 nan 0.000 0.532 42 D N 1.452 121.859 120.400 0.012 0.000 3.118 42 D HA -0.150 4.490 4.640 -0.000 0.000 0.178 42 D C -0.181 176.206 176.300 0.145 0.000 1.108 42 D CA 0.063 54.101 54.000 0.064 0.000 0.860 42 D CB -1.032 39.798 40.800 0.050 0.000 0.683 42 D HN 0.296 nan 8.370 nan 0.000 0.360 43 T N 1.539 116.186 114.554 0.154 0.000 3.278 43 T HA 0.360 4.710 4.350 -0.000 0.000 0.246 43 T C 0.835 175.660 174.700 0.207 0.000 1.281 43 T CA 0.484 62.718 62.100 0.222 0.000 1.281 43 T CB 0.430 69.371 68.868 0.122 0.000 1.064 43 T HN 0.205 nan 8.240 nan 0.000 0.628 44 S N 0.400 116.202 115.700 0.170 0.000 2.733 44 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 44 S C 1.406 176.035 174.600 0.048 0.000 1.062 44 S CA -0.352 57.911 58.200 0.106 0.000 1.256 44 S CB 0.051 63.322 63.200 0.117 0.000 1.187 44 S HN 0.583 nan 8.310 nan 0.000 0.666 45 I N -0.003 120.603 120.570 0.061 0.000 3.226 45 I HA 0.292 4.462 4.170 -0.000 0.000 0.277 45 I C -0.126 175.812 176.117 -0.299 0.000 1.243 45 I CA 0.034 61.278 61.300 -0.094 0.000 1.459 45 I CB -0.316 37.601 38.000 -0.138 0.000 1.093 45 I HN 0.116 nan 8.210 nan 0.000 0.453 46 Y N 1.954 122.217 120.300 -0.061 0.000 2.310 46 Y HA 0.291 4.841 4.550 0.000 0.000 0.326 46 Y C 1.169 176.933 175.900 -0.226 0.000 1.151 46 Y CA -0.499 57.536 58.100 -0.108 0.000 1.195 46 Y CB 0.329 38.730 38.460 -0.097 0.000 1.210 46 Y HN -0.034 nan 8.280 nan 0.000 0.483 47 N N 2.019 120.712 118.700 -0.013 0.000 2.322 47 N HA -0.047 4.693 4.740 -0.000 0.000 0.216 47 N C -0.140 175.353 175.510 -0.029 0.000 1.144 47 N CA 0.406 53.423 53.050 -0.055 0.000 0.830 47 N CB 0.207 38.705 38.487 0.018 0.000 1.034 47 N HN 0.774 nan 8.380 nan 0.000 0.484 48 D N -1.999 118.386 120.400 -0.025 0.000 2.525 48 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 48 D C -0.288 176.100 176.300 0.147 0.000 1.216 48 D CA -0.166 53.884 54.000 0.084 0.000 0.813 48 D CB -0.300 40.545 40.800 0.075 0.000 1.108 48 D HN 0.025 nan 8.370 nan 0.000 0.524 49 H N 0.143 119.283 119.070 0.117 0.000 2.826 49 H HA 0.028 4.584 4.556 -0.000 0.000 0.306 49 H C 1.327 176.652 175.328 -0.005 0.000 1.235 49 H CA 0.706 56.803 56.048 0.081 0.000 1.150 49 H CB -2.015 27.778 29.762 0.052 0.000 1.409 49 H HN 0.515 nan 8.280 nan 0.000 0.420 50 G N -1.057 107.705 108.800 -0.064 0.000 2.283 50 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 50 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 50 G C 1.330 176.066 174.900 -0.274 0.000 1.029 50 G CA 1.054 45.895 45.100 -0.432 0.000 0.840 50 G HN 1.205 nan 8.290 nan 0.000 0.505 51 A N -0.247 122.504 122.820 -0.115 0.000 1.902 51 A HA 0.312 4.632 4.320 -0.000 0.000 0.217 51 A C 2.870 180.396 177.584 -0.097 0.000 1.181 51 A CA 2.535 54.535 52.037 -0.063 0.000 0.623 51 A CB -0.869 18.127 19.000 -0.007 0.000 0.818 51 A HN 1.871 nan 8.150 nan 0.000 0.443 52 A N -0.023 122.731 122.820 -0.111 0.000 1.849 52 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 52 A C 2.292 179.788 177.584 -0.146 0.000 1.202 52 A CA 2.886 54.862 52.037 -0.102 0.000 0.629 52 A CB -1.440 17.526 19.000 -0.056 0.000 0.834 52 A HN 0.896 nan 8.150 nan 0.000 0.447 53 V N -1.062 118.695 119.914 -0.261 0.000 2.343 53 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 53 V C 1.964 177.996 176.094 -0.104 0.000 1.051 53 V CA 2.049 64.236 62.300 -0.189 0.000 1.036 53 V CB -1.354 30.218 31.823 -0.420 0.000 0.654 53 V HN 0.597 nan 8.190 nan 0.000 0.451 54 E N 0.235 120.346 120.200 -0.147 0.000 2.501 54 E HA -0.123 4.227 4.350 -0.000 0.000 0.203 54 E C 1.768 178.343 176.600 -0.041 0.000 1.072 54 E CA 1.262 57.617 56.400 -0.074 0.000 0.885 54 E CB -0.109 29.548 29.700 -0.072 0.000 0.813 54 E HN 0.721 nan 8.360 nan 0.000 0.556 55 T N -0.067 114.458 114.554 -0.048 0.000 2.999 55 T HA -0.001 4.349 4.350 -0.000 0.000 0.247 55 T C 1.401 176.081 174.700 -0.034 0.000 1.012 55 T CA -0.306 61.772 62.100 -0.036 0.000 1.048 55 T CB 0.178 69.021 68.868 -0.042 0.000 1.020 55 T HN 0.044 nan 8.240 nan 0.000 0.478 56 L N 1.986 123.179 121.223 -0.051 0.000 1.988 56 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 56 L C 2.112 179.004 176.870 0.038 0.000 1.071 56 L CA 1.817 56.606 54.840 -0.085 0.000 0.744 56 L CB -1.131 40.759 42.059 -0.281 0.000 0.893 56 L HN 0.098 nan 8.230 nan 0.000 0.433 57 M N -0.016 119.664 119.600 0.134 0.000 2.204 57 M HA -0.347 4.133 4.480 -0.000 0.000 0.255 57 M C 2.268 178.631 176.300 0.106 0.000 1.073 57 M CA 1.964 57.368 55.300 0.173 0.000 1.084 57 M CB -1.511 31.155 32.600 0.109 0.000 1.289 57 M HN 0.330 nan 8.290 nan 0.000 0.419 58 K N -0.191 120.242 120.400 0.056 0.000 2.059 58 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 58 K C 1.868 178.496 176.600 0.047 0.000 1.050 58 K CA 1.637 57.947 56.287 0.039 0.000 0.927 58 K CB 0.011 32.521 32.500 0.016 0.000 0.714 58 K HN 0.299 nan 8.250 nan 0.000 0.447 59 E N 0.779 121.001 120.200 0.036 0.000 2.028 59 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 59 E C 2.015 178.655 176.600 0.067 0.000 0.988 59 E CA 0.694 57.114 56.400 0.033 0.000 0.799 59 E CB -0.493 29.210 29.700 0.005 0.000 0.755 59 E HN 0.211 nan 8.360 nan 0.000 0.447 60 L N 2.107 123.384 121.223 0.090 0.000 2.129 60 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 60 L C 1.592 178.530 176.870 0.115 0.000 1.087 60 L CA 1.692 56.608 54.840 0.126 0.000 0.757 60 L CB -0.563 41.638 42.059 0.238 0.000 0.896 60 L HN 0.049 nan 8.230 nan 0.000 0.434 61 N N -0.762 118.009 118.700 0.117 0.000 2.290 61 N HA -0.105 4.635 4.740 -0.000 0.000 0.179 61 N C 1.083 176.711 175.510 0.196 0.000 1.016 61 N CA 1.241 54.364 53.050 0.120 0.000 0.871 61 N CB -0.059 38.482 38.487 0.090 0.000 0.987 61 N HN 0.446 nan 8.380 nan 0.000 0.431 62 D N 0.696 121.187 120.400 0.152 0.000 2.349 62 D HA -0.025 4.615 4.640 -0.000 0.000 0.224 62 D C -0.547 175.800 176.300 0.079 0.000 1.029 62 D CA 0.111 54.171 54.000 0.099 0.000 0.879 62 D CB -0.135 40.684 40.800 0.032 0.000 0.906 62 D HN 0.503 nan 8.370 nan 0.000 0.528 63 H N 0.076 119.146 119.070 0.000 0.000 2.542 63 H HA -0.199 4.357 4.556 0.000 0.000 0.313 63 H C 0.402 175.717 175.328 -0.021 0.000 0.960 63 H CA 0.181 56.225 56.048 -0.008 0.000 1.032 63 H CB -1.711 28.041 29.762 -0.015 0.000 1.620 63 H HN 0.360 nan 8.280 nan 0.000 0.346 64 R N 0.074 120.619 120.500 0.075 0.000 2.592 64 R HA 0.329 4.669 4.340 -0.000 0.000 0.439 64 R C -0.501 175.795 176.300 -0.006 0.000 0.995 64 R CA -0.770 55.335 56.100 0.008 0.000 1.141 64 R CB 0.540 30.832 30.300 -0.014 0.000 1.495 64 R HN 0.150 nan 8.270 nan 0.000 0.579 65 L N 1.239 122.466 121.223 0.007 0.000 2.454 65 L HA 0.382 4.722 4.340 -0.000 0.000 0.256 65 L C 0.004 176.845 176.870 -0.048 0.000 1.136 65 L CA -1.087 53.741 54.840 -0.020 0.000 0.804 65 L CB 1.171 43.233 42.059 0.004 0.000 1.181 65 L HN 0.185 nan 8.230 nan 0.000 0.469 66 L N 2.024 123.203 121.223 -0.074 0.000 2.349 66 L HA 0.243 4.583 4.340 -0.000 0.000 0.275 66 L C 0.211 177.015 176.870 -0.111 0.000 1.115 66 L CA -0.517 54.242 54.840 -0.134 0.000 0.820 66 L CB 0.759 42.730 42.059 -0.148 0.000 1.135 66 L HN 0.712 nan 8.230 nan 0.000 0.445 67 E N 3.508 123.612 120.200 -0.160 0.000 2.442 67 E HA -0.022 4.328 4.350 -0.000 0.000 0.260 67 E C -0.486 176.086 176.600 -0.047 0.000 1.148 67 E CA -0.182 56.155 56.400 -0.104 0.000 0.976 67 E CB 0.484 30.106 29.700 -0.131 0.000 0.967 67 E HN 0.567 nan 8.360 nan 0.000 0.454 68 Q N 0.348 120.129 119.800 -0.031 0.000 2.249 68 Q HA 0.169 4.509 4.340 -0.000 0.000 0.226 68 Q C -0.470 175.530 176.000 0.000 0.000 0.983 68 Q CA -0.508 55.296 55.803 0.002 0.000 0.930 68 Q CB 0.775 29.497 28.738 -0.026 0.000 1.193 68 Q HN 0.371 nan 8.270 nan 0.000 0.508 69 R N 1.467 121.981 120.500 0.023 0.000 3.092 69 R HA -0.223 4.117 4.340 -0.000 0.000 0.245 69 R C -0.560 175.696 176.300 -0.073 0.000 0.881 69 R CA 0.613 56.602 56.100 -0.185 0.000 0.614 69 R CB -1.467 28.521 30.300 -0.520 0.000 1.128 69 R HN 0.506 nan 8.270 nan 0.000 0.483 70 H N 0.179 119.309 119.070 0.099 0.000 3.037 70 H HA 0.215 4.771 4.556 -0.000 0.000 0.355 70 H C -0.210 175.231 175.328 0.188 0.000 1.263 70 H CA -0.669 55.404 56.048 0.042 0.000 1.129 70 H CB 1.087 30.769 29.762 -0.134 0.000 1.861 70 H HN 0.298 nan 8.280 nan 0.000 0.546 71 W N 2.878 124.029 121.300 -0.247 0.000 1.992 71 W HA 0.409 5.069 4.660 -0.000 0.000 0.360 71 W C -1.476 175.335 176.519 0.487 0.000 1.369 71 W CA -0.702 56.739 57.345 0.161 0.000 1.403 71 W CB -0.244 29.235 29.460 0.031 0.000 1.215 71 W HN 0.557 nan 8.180 nan 0.000 0.643 72 Y N 1.213 122.025 120.300 0.854 0.000 2.424 72 Y HA 0.366 4.916 4.550 -0.000 0.000 0.323 72 Y C -1.386 174.942 175.900 0.713 0.000 1.174 72 Y CA -1.000 57.473 58.100 0.621 0.000 1.060 72 Y CB 0.944 39.582 38.460 0.297 0.000 1.314 72 Y HN 0.631 nan 8.280 nan 0.000 0.439 73 S N 5.639 121.313 115.700 -0.043 0.000 2.532 73 S HA 0.429 4.899 4.470 -0.000 0.000 0.301 73 S C -0.172 174.042 174.600 -0.643 0.000 1.083 73 S CA -0.769 57.375 58.200 -0.093 0.000 1.025 73 S CB 1.824 64.993 63.200 -0.052 0.000 1.056 73 S HN 1.121 nan 8.310 nan 0.000 0.494 74 L N 1.494 122.353 121.223 -0.607 0.000 2.610 74 L HA 0.424 4.764 4.340 -0.000 0.000 0.232 74 L C 0.439 176.898 176.870 -0.685 0.000 1.149 74 L CA 1.150 55.530 54.840 -0.767 0.000 0.872 74 L CB -0.770 40.812 42.059 -0.794 0.000 0.992 74 L HN 0.771 nan 8.230 nan 0.000 0.447 75 F N -0.989 118.828 119.950 -0.221 0.000 2.776 75 F HA 0.210 4.737 4.527 -0.000 0.000 0.300 75 F C 1.041 176.803 175.800 -0.064 0.000 1.116 75 F CA -0.420 57.503 58.000 -0.129 0.000 1.375 75 F CB -0.502 38.393 39.000 -0.175 0.000 1.109 75 F HN 0.145 nan 8.300 nan 0.000 0.585 76 N N 0.268 118.983 118.700 0.026 0.000 2.411 76 N HA 0.019 4.759 4.740 -0.000 0.000 0.259 76 N C 1.249 176.788 175.510 0.047 0.000 1.103 76 N CA 0.234 53.326 53.050 0.071 0.000 0.954 76 N CB 0.711 39.258 38.487 0.099 0.000 1.085 76 N HN 0.094 nan 8.380 nan 0.000 0.485 77 T N 1.152 115.743 114.554 0.063 0.000 2.822 77 T HA -0.257 4.093 4.350 -0.000 0.000 0.270 77 T C 1.719 176.439 174.700 0.034 0.000 1.064 77 T CA 1.166 63.299 62.100 0.055 0.000 1.131 77 T CB -0.100 68.805 68.868 0.061 0.000 0.858 77 T HN 0.515 nan 8.240 nan 0.000 0.483 78 R N 0.728 121.245 120.500 0.028 0.000 2.055 78 R HA 0.137 4.477 4.340 -0.000 0.000 0.221 78 R C 2.791 179.106 176.300 0.026 0.000 1.154 78 R CA 0.651 56.760 56.100 0.015 0.000 0.975 78 R CB -0.324 29.978 30.300 0.004 0.000 0.869 78 R HN 0.335 nan 8.270 nan 0.000 0.437 79 Q N 0.068 119.902 119.800 0.057 0.000 2.217 79 Q HA -0.281 4.059 4.340 -0.000 0.000 0.209 79 Q C 2.113 178.230 176.000 0.196 0.000 0.988 79 Q CA 1.983 57.886 55.803 0.165 0.000 0.878 79 Q CB -0.096 28.752 28.738 0.184 0.000 0.909 79 Q HN 0.273 nan 8.270 nan 0.000 0.424 80 R N 0.689 121.216 120.500 0.045 0.000 2.055 80 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 80 R C 1.994 178.231 176.300 -0.106 0.000 1.135 80 R CA 1.291 57.352 56.100 -0.065 0.000 0.959 80 R CB 0.085 30.317 30.300 -0.113 0.000 0.854 80 R HN 0.011 nan 8.270 nan 0.000 0.431 81 K N 0.414 120.777 120.400 -0.061 0.000 2.074 81 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 81 K C 1.995 178.541 176.600 -0.090 0.000 1.048 81 K CA 2.188 58.430 56.287 -0.076 0.000 0.926 81 K CB -0.005 32.477 32.500 -0.031 0.000 0.713 81 K HN 0.357 nan 8.250 nan 0.000 0.444 82 E N 0.216 120.377 120.200 -0.065 0.000 2.031 82 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 82 E C 2.123 178.650 176.600 -0.122 0.000 0.994 82 E CA 1.058 57.407 56.400 -0.085 0.000 0.800 82 E CB -0.209 29.455 29.700 -0.060 0.000 0.752 82 E HN 0.333 nan 8.360 nan 0.000 0.447 83 A N 1.298 124.046 122.820 -0.119 0.000 1.927 83 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 83 A C 2.102 179.593 177.584 -0.155 0.000 1.185 83 A CA 1.342 53.291 52.037 -0.148 0.000 0.639 83 A CB -0.552 18.366 19.000 -0.136 0.000 0.820 83 A HN 0.179 nan 8.150 nan 0.000 0.451 84 L N -0.133 120.957 121.223 -0.220 0.000 2.610 84 L HA 0.049 4.389 4.340 -0.000 0.000 0.232 84 L C 2.271 179.058 176.870 -0.137 0.000 1.149 84 L CA 1.037 55.702 54.840 -0.292 0.000 0.872 84 L CB -0.431 41.321 42.059 -0.512 0.000 0.992 84 L HN 0.557 nan 8.230 nan 0.000 0.447 85 M N -3.466 116.053 119.600 -0.134 0.000 2.466 85 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 85 M C 2.133 178.329 176.300 -0.173 0.000 1.122 85 M CA 1.101 56.324 55.300 -0.128 0.000 1.157 85 M CB -0.532 31.990 32.600 -0.130 0.000 1.352 85 M HN 0.128 nan 8.290 nan 0.000 0.464 86 L N 0.814 121.915 121.223 -0.204 0.000 2.013 86 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 86 L C 2.701 179.471 176.870 -0.167 0.000 1.073 86 L CA 1.744 56.441 54.840 -0.238 0.000 0.753 86 L CB -0.432 41.511 42.059 -0.194 0.000 0.890 86 L HN 0.238 nan 8.230 nan 0.000 0.432 87 F N 0.779 120.574 119.950 -0.259 0.000 2.091 87 F HA -0.315 4.211 4.527 -0.000 0.000 0.299 87 F C 2.273 177.940 175.800 -0.222 0.000 1.103 87 F CA 1.657 59.505 58.000 -0.254 0.000 1.228 87 F CB -0.671 38.136 39.000 -0.322 0.000 0.984 87 F HN 0.095 nan 8.300 nan 0.000 0.477 88 A N -0.618 122.004 122.820 -0.331 0.000 2.121 88 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 88 A C 2.181 179.609 177.584 -0.260 0.000 1.154 88 A CA 1.527 53.330 52.037 -0.389 0.000 0.679 88 A CB -1.089 17.839 19.000 -0.120 0.000 0.795 88 A HN 0.339 nan 8.150 nan 0.000 0.458 89 V N -0.867 118.921 119.914 -0.209 0.000 2.365 89 V HA -0.089 4.031 4.120 -0.000 0.000 0.232 89 V C 2.202 178.224 176.094 -0.119 0.000 1.065 89 V CA 1.174 63.449 62.300 -0.043 0.000 1.054 89 V CB -0.761 31.059 31.823 -0.005 0.000 0.685 89 V HN 0.416 nan 8.190 nan 0.000 0.480 90 L N 1.028 122.085 121.223 -0.277 0.000 2.186 90 L HA -0.314 4.026 4.340 -0.000 0.000 0.221 90 L C 2.100 178.792 176.870 -0.296 0.000 1.087 90 L CA 2.552 57.061 54.840 -0.552 0.000 0.794 90 L CB -1.443 40.161 42.059 -0.758 0.000 0.893 90 L HN 0.545 nan 8.230 nan 0.000 0.442 91 N N -0.642 117.868 118.700 -0.316 0.000 2.354 91 N HA -0.127 4.613 4.740 -0.000 0.000 0.179 91 N C 1.071 176.533 175.510 -0.080 0.000 1.021 91 N CA 0.746 53.647 53.050 -0.249 0.000 0.887 91 N CB 0.139 38.258 38.487 -0.614 0.000 0.974 91 N HN 0.623 nan 8.380 nan 0.000 0.437 92 Q N -0.465 119.312 119.800 -0.038 0.000 2.241 92 Q HA 0.300 4.639 4.340 -0.000 0.000 0.296 92 Q C -0.633 175.352 176.000 -0.026 0.000 0.889 92 Q CA -0.356 55.465 55.803 0.030 0.000 1.089 92 Q CB -0.030 28.748 28.738 0.067 0.000 1.195 92 Q HN 0.154 nan 8.270 nan 0.000 0.451 93 c N 1.473 120.037 118.600 -0.060 0.000 2.539 93 c HA 0.199 4.769 4.570 -0.000 0.000 0.392 93 c C 1.416 175.497 174.090 -0.015 0.000 1.269 93 c CA -0.286 55.964 56.329 -0.132 0.000 2.250 93 c CB 0.797 43.271 42.510 -0.061 0.000 2.584 93 c HN 0.608 nan 8.230 nan 0.000 0.589 94 K N 0.485 120.861 120.400 -0.039 0.000 2.284 94 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 94 K C 0.407 177.051 176.600 0.073 0.000 1.048 94 K CA 0.741 57.044 56.287 0.028 0.000 0.987 94 K CB 0.283 32.787 32.500 0.006 0.000 0.800 94 K HN 0.730 nan 8.250 nan 0.000 0.486 95 E N -1.656 118.598 120.200 0.090 0.000 2.430 95 E HA 0.030 4.380 4.350 -0.000 0.000 0.279 95 E C -0.407 176.315 176.600 0.202 0.000 1.003 95 E CA -0.776 55.717 56.400 0.155 0.000 0.801 95 E CB 0.074 29.857 29.700 0.138 0.000 1.313 95 E HN 0.059 nan 8.360 nan 0.000 0.459 96 W N 1.986 123.282 121.300 -0.008 0.000 2.276 96 W HA -0.349 4.311 4.660 0.000 0.000 0.307 96 W C 1.250 177.790 176.519 0.035 0.000 1.240 96 W CA 2.252 59.580 57.345 -0.028 0.000 1.249 96 W CB -0.186 29.227 29.460 -0.078 0.000 1.140 96 W HN 0.803 nan 8.180 nan 0.000 0.519 97 Y N 0.600 120.947 120.300 0.078 0.000 2.228 97 Y HA -0.356 4.194 4.550 -0.000 0.000 0.285 97 Y C 2.584 178.434 175.900 -0.083 0.000 1.178 97 Y CA 2.283 60.389 58.100 0.010 0.000 1.202 97 Y CB -1.252 37.249 38.460 0.069 0.000 0.974 97 Y HN -0.004 nan 8.280 nan 0.000 0.527 98 c N -0.687 117.696 118.600 -0.362 0.000 2.475 98 c HA -0.066 4.504 4.570 -0.000 0.000 0.279 98 c C 2.546 176.412 174.090 -0.374 0.000 1.322 98 c CA 0.704 56.784 56.329 -0.415 0.000 1.734 98 c CB -1.864 40.470 42.510 -0.294 0.000 2.005 98 c HN 0.644 nan 8.230 nan 0.000 0.495 99 F N 1.309 120.920 119.950 -0.565 0.000 2.037 99 F HA 0.078 4.605 4.527 0.000 0.000 0.291 99 F C 2.635 178.042 175.800 -0.656 0.000 1.137 99 F CA 1.733 59.355 58.000 -0.629 0.000 1.178 99 F CB -0.561 37.892 39.000 -0.910 0.000 0.995 99 F HN 0.036 nan 8.300 nan 0.000 0.472 100 R N -0.175 119.972 120.500 -0.589 0.000 2.162 100 R HA -0.262 4.078 4.340 -0.000 0.000 0.245 100 R C 2.379 178.446 176.300 -0.389 0.000 1.129 100 R CA 2.082 57.923 56.100 -0.432 0.000 0.940 100 R CB -1.135 28.967 30.300 -0.330 0.000 0.875 100 R HN 0.237 nan 8.270 nan 0.000 0.437 101 S N 0.311 115.639 115.700 -0.620 0.000 2.365 101 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 101 S C 1.588 175.732 174.600 -0.760 0.000 1.037 101 S CA 2.043 59.634 58.200 -1.016 0.000 1.060 101 S CB -0.413 61.639 63.200 -1.914 0.000 0.974 101 S HN 0.396 nan 8.310 nan 0.000 0.427 102 N N 1.404 119.776 118.700 -0.547 0.000 2.080 102 N HA 0.051 4.791 4.740 -0.000 0.000 0.189 102 N C 0.807 176.366 175.510 0.081 0.000 1.036 102 N CA 0.997 53.972 53.050 -0.124 0.000 0.846 102 N CB -0.221 38.302 38.487 0.060 0.000 1.015 102 N HN 0.360 nan 8.380 nan 0.000 0.423 103 A N -0.592 122.224 122.820 -0.007 0.000 3.030 103 A HA 0.589 4.909 4.320 -0.000 0.000 0.273 103 A C 0.641 178.279 177.584 0.089 0.000 1.841 103 A CA 0.650 52.806 52.037 0.199 0.000 1.479 103 A CB -0.954 18.096 19.000 0.083 0.000 1.048 103 A HN 0.405 nan 8.150 nan 0.000 0.612 104 A N 0.059 122.868 122.820 -0.018 0.000 3.445 104 A HA 0.083 4.403 4.320 -0.000 0.000 0.184 104 A C 1.264 178.756 177.584 -0.153 0.000 1.331 104 A CA 0.621 52.599 52.037 -0.099 0.000 1.364 104 A CB -1.073 17.862 19.000 -0.109 0.000 1.117 104 A HN 0.823 nan 8.150 nan 0.000 0.502 105 Y N 0.632 120.766 120.300 -0.277 0.000 2.081 105 Y HA -0.205 4.345 4.550 -0.000 0.000 0.280 105 Y C 1.977 177.635 175.900 -0.405 0.000 1.163 105 Y CA 3.152 61.023 58.100 -0.382 0.000 1.135 105 Y CB -0.315 37.821 38.460 -0.540 0.000 0.970 105 Y HN 0.339 nan 8.280 nan 0.000 0.498 106 F N -0.201 119.766 119.950 0.028 0.000 2.149 106 F HA -0.036 4.491 4.527 -0.000 0.000 0.294 106 F C 2.618 178.252 175.800 -0.277 0.000 1.095 106 F CA 1.352 59.328 58.000 -0.040 0.000 1.276 106 F CB -1.068 38.004 39.000 0.120 0.000 1.023 106 F HN -0.091 nan 8.300 nan 0.000 0.480 107 R N 1.220 121.560 120.500 -0.266 0.000 2.159 107 R HA -0.251 4.089 4.340 -0.000 0.000 0.252 107 R C 1.582 177.556 176.300 -0.544 0.000 1.144 107 R CA 2.050 57.554 56.100 -0.993 0.000 0.961 107 R CB -0.748 28.998 30.300 -0.923 0.000 0.877 107 R HN 0.163 nan 8.270 nan 0.000 0.444 108 E N -0.205 119.782 120.200 -0.355 0.000 2.516 108 E HA -0.086 4.264 4.350 -0.000 0.000 0.199 108 E C 1.429 177.896 176.600 -0.221 0.000 1.069 108 E CA 0.842 57.081 56.400 -0.268 0.000 0.876 108 E CB 0.037 29.587 29.700 -0.250 0.000 0.843 108 E HN 0.615 nan 8.360 nan 0.000 0.530 109 R N -2.109 118.283 120.500 -0.181 0.000 2.582 109 R HA 0.278 4.618 4.340 -0.000 0.000 0.285 109 R C 0.508 176.788 176.300 -0.033 0.000 0.940 109 R CA -0.212 55.823 56.100 -0.108 0.000 1.072 109 R CB 0.187 30.401 30.300 -0.144 0.000 1.527 109 R HN 0.018 nan 8.270 nan 0.000 0.538 110 M N 2.972 122.571 119.600 -0.003 0.000 2.249 110 M HA 0.192 4.672 4.480 -0.000 0.000 0.351 110 M C -0.122 176.175 176.300 -0.005 0.000 1.180 110 M CA -0.514 54.796 55.300 0.016 0.000 1.127 110 M CB 1.420 34.068 32.600 0.081 0.000 1.546 110 M HN 0.077 nan 8.290 nan 0.000 0.461 111 N N 2.290 120.986 118.700 -0.006 0.000 2.395 111 N HA -0.093 4.647 4.740 -0.000 0.000 0.246 111 N C 0.206 175.748 175.510 0.052 0.000 1.246 111 N CA 0.492 53.551 53.050 0.016 0.000 0.879 111 N CB 0.840 39.328 38.487 0.003 0.000 1.098 111 N HN 0.510 nan 8.380 nan 0.000 0.444 112 E N 1.899 122.161 120.200 0.103 0.000 2.204 112 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 112 E C 1.678 178.353 176.600 0.125 0.000 0.989 112 E CA 1.236 57.712 56.400 0.127 0.000 0.824 112 E CB -0.463 29.279 29.700 0.071 0.000 0.756 112 E HN 0.779 nan 8.360 nan 0.000 0.477 113 G N 1.059 109.896 108.800 0.061 0.000 2.394 113 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 113 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 113 G C 1.350 175.998 174.900 -0.420 0.000 1.165 113 G CA 0.373 45.465 45.100 -0.014 0.000 0.784 113 G HN 0.197 nan 8.290 nan 0.000 0.535 114 E N -0.170 119.604 120.200 -0.710 0.000 2.023 114 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 114 E C 2.120 178.617 176.600 -0.173 0.000 1.003 114 E CA 1.084 57.123 56.400 -0.601 0.000 0.809 114 E CB -0.315 29.158 29.700 -0.378 0.000 0.755 114 E HN 0.393 nan 8.360 nan 0.000 0.449 115 F N 1.680 121.536 119.950 -0.157 0.000 2.046 115 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 115 F C 2.314 178.124 175.800 0.017 0.000 1.123 115 F CA 1.431 59.397 58.000 -0.057 0.000 1.199 115 F CB -0.467 38.510 39.000 -0.038 0.000 0.972 115 F HN -0.206 nan 8.300 nan 0.000 0.474 116 V N -0.479 119.419 119.914 -0.026 0.000 2.295 116 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 116 V C 2.066 178.180 176.094 0.032 0.000 1.049 116 V CA 2.203 64.505 62.300 0.003 0.000 1.024 116 V CB -1.292 30.596 31.823 0.107 0.000 0.648 116 V HN 0.534 nan 8.190 nan 0.000 0.447 117 Y N 1.478 121.752 120.300 -0.043 0.000 2.097 117 Y HA -0.271 4.279 4.550 0.000 0.000 0.282 117 Y C 2.446 178.325 175.900 -0.036 0.000 1.152 117 Y CA 1.751 59.855 58.100 0.007 0.000 1.136 117 Y CB -0.817 37.688 38.460 0.076 0.000 0.975 117 Y HN 0.137 nan 8.280 nan 0.000 0.498 118 A N 0.166 122.971 122.820 -0.026 0.000 1.873 118 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 118 A C 2.220 179.684 177.584 -0.199 0.000 1.193 118 A CA 1.992 53.964 52.037 -0.107 0.000 0.629 118 A CB -1.415 17.502 19.000 -0.138 0.000 0.826 118 A HN 0.524 nan 8.150 nan 0.000 0.447 119 L N -1.514 119.467 121.223 -0.402 0.000 1.990 119 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 119 L C 2.379 179.167 176.870 -0.137 0.000 1.072 119 L CA 2.008 56.649 54.840 -0.332 0.000 0.755 119 L CB -1.178 40.565 42.059 -0.527 0.000 0.889 119 L HN 0.503 nan 8.230 nan 0.000 0.432 120 Y N -1.510 118.689 120.300 -0.169 0.000 2.128 120 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 120 Y C 2.623 178.477 175.900 -0.077 0.000 1.154 120 Y CA 1.798 59.831 58.100 -0.111 0.000 1.149 120 Y CB -0.950 37.412 38.460 -0.164 0.000 0.976 120 Y HN -0.023 nan 8.280 nan 0.000 0.505 121 V N -0.999 118.919 119.914 0.007 0.000 2.287 121 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 121 V C 2.327 178.592 176.094 0.285 0.000 1.053 121 V CA 2.307 64.646 62.300 0.066 0.000 1.027 121 V CB -0.800 30.965 31.823 -0.097 0.000 0.646 121 V HN 0.385 nan 8.190 nan 0.000 0.447 122 S N -0.676 115.201 115.700 0.295 0.000 2.356 122 S HA -0.183 4.287 4.470 -0.000 0.000 0.223 122 S C 1.946 176.770 174.600 0.373 0.000 1.032 122 S CA 1.569 59.987 58.200 0.364 0.000 1.005 122 S CB -0.248 62.989 63.200 0.061 0.000 0.867 122 S HN 0.372 nan 8.310 nan 0.000 0.449 123 V N 2.350 122.425 119.914 0.269 0.000 2.255 123 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 123 V C 2.048 178.212 176.094 0.117 0.000 1.051 123 V CA 1.738 64.185 62.300 0.245 0.000 1.018 123 V CB -0.674 31.206 31.823 0.096 0.000 0.641 123 V HN 0.473 nan 8.190 nan 0.000 0.445 124 I N -0.823 119.760 120.570 0.022 0.000 2.335 124 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 124 I C 2.262 178.097 176.117 -0.470 0.000 1.129 124 I CA 1.604 62.798 61.300 -0.177 0.000 1.402 124 I CB -0.483 37.374 38.000 -0.239 0.000 1.069 124 I HN 0.447 nan 8.210 nan 0.000 0.424 125 H N -1.103 117.981 119.070 0.024 0.000 2.788 125 H HA 0.227 4.783 4.556 -0.000 0.000 0.262 125 H C 1.278 176.694 175.328 0.146 0.000 0.968 125 H CA 0.104 56.172 56.048 0.035 0.000 1.218 125 H CB 0.426 30.455 29.762 0.446 0.000 1.443 125 H HN 0.136 nan 8.280 nan 0.000 0.478 126 S N 2.132 118.037 115.700 0.341 0.000 2.549 126 S HA -0.014 4.456 4.470 -0.000 0.000 0.283 126 S C 1.348 176.076 174.600 0.214 0.000 1.320 126 S CA -0.583 57.809 58.200 0.321 0.000 1.058 126 S CB 0.650 64.079 63.200 0.383 0.000 0.882 126 S HN 0.302 nan 8.310 nan 0.000 0.498 127 K N 4.122 124.657 120.400 0.224 0.000 2.589 127 K HA -0.061 4.259 4.320 -0.000 0.000 0.195 127 K C 0.937 177.626 176.600 0.149 0.000 1.040 127 K CA 0.867 57.260 56.287 0.177 0.000 0.950 127 K CB -0.341 32.263 32.500 0.173 0.000 0.781 127 K HN 0.593 nan 8.250 nan 0.000 0.486 128 L N 0.171 121.492 121.223 0.163 0.000 2.808 128 L HA 0.181 4.521 4.340 -0.000 0.000 0.246 128 L C 0.991 177.851 176.870 -0.018 0.000 1.153 128 L CA -0.231 54.668 54.840 0.099 0.000 0.956 128 L CB 0.876 43.050 42.059 0.193 0.000 1.270 128 L HN 0.135 nan 8.230 nan 0.000 0.528 129 G N -1.383 107.436 108.800 0.031 0.000 4.098 129 G HA2 0.074 4.034 3.960 -0.000 0.000 0.300 129 G HA3 0.074 4.034 3.960 -0.000 0.000 0.300 129 G C 0.068 174.932 174.900 -0.059 0.000 1.187 129 G CA -0.248 44.821 45.100 -0.052 0.000 0.964 129 G HN 0.169 nan 8.290 nan 0.000 0.559 130 D N 0.710 121.064 120.400 -0.076 0.000 2.077 130 D HA -0.034 4.606 4.640 -0.000 0.000 0.196 130 D C 2.591 178.831 176.300 -0.101 0.000 0.986 130 D CA 1.521 55.485 54.000 -0.061 0.000 0.829 130 D CB -0.027 40.742 40.800 -0.052 0.000 0.983 130 D HN 0.262 nan 8.370 nan 0.000 0.453 131 G N 0.463 109.172 108.800 -0.151 0.000 2.470 131 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 131 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 131 G C 0.664 175.490 174.900 -0.123 0.000 1.121 131 G CA 0.157 45.174 45.100 -0.139 0.000 0.766 131 G HN 0.212 nan 8.290 nan 0.000 0.553 132 I N 0.689 121.174 120.570 -0.142 0.000 2.696 132 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 132 I C -0.170 175.915 176.117 -0.054 0.000 1.129 132 I CA -0.485 60.752 61.300 -0.105 0.000 1.410 132 I CB 1.479 39.409 38.000 -0.117 0.000 1.399 132 I HN -0.284 nan 8.210 nan 0.000 0.579 133 V N 6.727 126.621 119.914 -0.034 0.000 2.398 133 V HA 0.341 4.461 4.120 -0.000 0.000 0.286 133 V C 0.187 176.251 176.094 -0.050 0.000 1.026 133 V CA -0.551 61.745 62.300 -0.006 0.000 0.868 133 V CB 1.560 33.398 31.823 0.026 0.000 0.982 133 V HN 0.444 nan 8.190 nan 0.000 0.443 134 L N 7.362 128.540 121.223 -0.076 0.000 2.375 134 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 134 L C -2.033 174.783 176.870 -0.090 0.000 1.107 134 L CA -1.643 53.101 54.840 -0.160 0.000 0.806 134 L CB 1.071 42.929 42.059 -0.336 0.000 1.146 134 L HN 0.437 nan 8.230 nan 0.000 0.447 135 P HA 0.104 nan 4.420 nan 0.000 0.270 135 P C -2.560 174.592 177.300 -0.247 0.000 1.223 135 P CA -1.098 61.845 63.100 -0.262 0.000 0.785 135 P CB -0.291 30.881 31.700 -0.879 0.000 0.923 136 P HA 0.135 nan 4.420 nan 0.000 0.270 136 P C 1.001 177.872 177.300 -0.714 0.000 1.242 136 P CA 0.100 62.784 63.100 -0.694 0.000 0.768 136 P CB 0.170 31.108 31.700 -1.271 0.000 0.820 137 L N 3.320 124.195 121.223 -0.580 0.000 2.034 137 L HA -0.311 4.029 4.340 -0.000 0.000 0.217 137 L C 2.248 178.809 176.870 -0.514 0.000 1.077 137 L CA 1.999 56.567 54.840 -0.453 0.000 0.769 137 L CB -1.073 40.831 42.059 -0.258 0.000 0.890 137 L HN 0.490 nan 8.230 nan 0.000 0.435 138 Y N 0.317 120.067 120.300 -0.916 0.000 2.228 138 Y HA -0.319 4.231 4.550 -0.000 0.000 0.285 138 Y C 2.387 178.125 175.900 -0.269 0.000 1.178 138 Y CA 1.506 59.074 58.100 -0.887 0.000 1.202 138 Y CB -1.322 36.460 38.460 -1.131 0.000 0.974 138 Y HN 0.442 nan 8.280 nan 0.000 0.527 139 Q N -0.717 119.014 119.800 -0.116 0.000 2.378 139 Q HA 0.139 4.479 4.340 -0.000 0.000 0.216 139 Q C 1.672 177.703 176.000 0.052 0.000 0.892 139 Q CA 0.292 56.175 55.803 0.135 0.000 0.931 139 Q CB 0.051 28.933 28.738 0.239 0.000 1.086 139 Q HN 0.435 nan 8.270 nan 0.000 0.528 140 I N 2.318 122.838 120.570 -0.083 0.000 2.333 140 I HA -0.056 4.114 4.170 -0.000 0.000 0.246 140 I C 1.292 177.507 176.117 0.164 0.000 1.106 140 I CA 1.504 62.789 61.300 -0.026 0.000 1.411 140 I CB -0.554 37.385 38.000 -0.101 0.000 1.082 140 I HN 0.254 nan 8.210 nan 0.000 0.420 141 T N -1.658 113.024 114.554 0.213 0.000 3.418 141 T HA 0.388 4.738 4.350 -0.000 0.000 0.315 141 T C -2.182 172.750 174.700 0.388 0.000 1.447 141 T CA -1.345 60.989 62.100 0.390 0.000 1.641 141 T CB 1.165 70.240 68.868 0.345 0.000 0.904 141 T HN -0.087 nan 8.240 nan 0.000 0.640 142 P HA 0.019 nan 4.420 nan 0.000 0.237 142 P C 1.278 178.722 177.300 0.241 0.000 1.178 142 P CA 0.421 63.707 63.100 0.309 0.000 0.766 142 P CB -0.102 31.778 31.700 0.301 0.000 0.876 143 H N -1.142 118.065 119.070 0.229 0.000 2.491 143 H HA 0.073 4.629 4.556 0.000 0.000 0.290 143 H C 1.547 176.970 175.328 0.158 0.000 1.050 143 H CA 1.124 57.262 56.048 0.151 0.000 1.309 143 H CB 0.029 29.836 29.762 0.075 0.000 1.392 143 H HN 0.097 nan 8.280 nan 0.000 0.554 144 M N -0.869 118.902 119.600 0.285 0.000 2.388 144 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 144 M C 0.973 177.262 176.300 -0.019 0.000 1.088 144 M CA 0.874 56.219 55.300 0.075 0.000 1.134 144 M CB -0.468 32.132 32.600 -0.000 0.000 1.384 144 M HN 0.111 nan 8.290 nan 0.000 0.447 145 F N -0.875 119.113 119.950 0.062 0.000 2.706 145 F HA 0.212 4.739 4.527 0.000 0.000 0.313 145 F C 0.451 176.279 175.800 0.046 0.000 1.096 145 F CA -0.143 57.861 58.000 0.008 0.000 1.219 145 F CB 0.260 39.232 39.000 -0.046 0.000 1.051 145 F HN -0.177 nan 8.300 nan 0.000 0.568 146 T N -0.175 114.546 114.554 0.279 0.000 2.863 146 T HA 0.243 4.593 4.350 -0.000 0.000 0.285 146 T C -0.123 174.659 174.700 0.136 0.000 1.009 146 T CA -0.764 61.488 62.100 0.253 0.000 0.989 146 T CB 1.749 70.769 68.868 0.255 0.000 1.004 146 T HN -0.156 nan 8.240 nan 0.000 0.455 147 N N 0.671 119.434 118.700 0.105 0.000 2.116 147 N HA -0.060 4.680 4.740 -0.000 0.000 0.209 147 N C 1.352 176.879 175.510 0.029 0.000 1.362 147 N CA 0.592 53.675 53.050 0.055 0.000 0.867 147 N CB 0.255 38.754 38.487 0.020 0.000 1.040 147 N HN 0.523 nan 8.380 nan 0.000 0.432 148 S N -1.227 114.478 115.700 0.009 0.000 2.497 148 S HA 0.081 4.551 4.470 -0.000 0.000 0.221 148 S C 1.384 175.933 174.600 -0.084 0.000 1.037 148 S CA 0.116 58.310 58.200 -0.010 0.000 0.920 148 S CB -0.216 62.999 63.200 0.025 0.000 0.800 148 S HN 0.573 nan 8.310 nan 0.000 0.505 149 E N 0.673 120.822 120.200 -0.086 0.000 2.021 149 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 149 E C 1.921 178.397 176.600 -0.207 0.000 0.980 149 E CA 1.225 57.548 56.400 -0.128 0.000 0.803 149 E CB -0.131 29.517 29.700 -0.087 0.000 0.766 149 E HN 0.309 nan 8.360 nan 0.000 0.449 150 V N 2.072 121.896 119.914 -0.151 0.000 2.282 150 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 150 V C 2.550 178.466 176.094 -0.298 0.000 1.057 150 V CA 1.379 63.557 62.300 -0.203 0.000 1.032 150 V CB -0.481 31.305 31.823 -0.061 0.000 0.645 150 V HN 0.402 nan 8.190 nan 0.000 0.447 151 I N 0.264 120.682 120.570 -0.255 0.000 2.194 151 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 151 I C 2.227 178.028 176.117 -0.527 0.000 1.093 151 I CA 1.849 62.923 61.300 -0.376 0.000 1.355 151 I CB -1.215 36.567 38.000 -0.363 0.000 1.046 151 I HN 0.378 nan 8.210 nan 0.000 0.413 152 D N 0.365 120.509 120.400 -0.427 0.000 2.144 152 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 152 D C 2.203 178.290 176.300 -0.354 0.000 0.978 152 D CA 0.876 54.646 54.000 -0.383 0.000 0.833 152 D CB -0.068 40.595 40.800 -0.228 0.000 0.961 152 D HN 0.307 nan 8.370 nan 0.000 0.470 153 K N 0.611 120.699 120.400 -0.520 0.000 2.097 153 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 153 K C 2.021 178.197 176.600 -0.707 0.000 1.049 153 K CA 1.011 56.786 56.287 -0.853 0.000 0.933 153 K CB -0.107 31.343 32.500 -1.750 0.000 0.717 153 K HN 0.068 nan 8.250 nan 0.000 0.442 154 A N 1.072 123.624 122.820 -0.446 0.000 1.872 154 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 154 A C 1.927 179.574 177.584 0.106 0.000 1.187 154 A CA 1.006 53.055 52.037 0.020 0.000 0.614 154 A CB -0.706 18.318 19.000 0.040 0.000 0.826 154 A HN 0.189 nan 8.150 nan 0.000 0.442 155 Y N 0.485 120.764 120.300 -0.036 0.000 2.256 155 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 155 Y C 2.953 178.859 175.900 0.010 0.000 1.155 155 Y CA 0.603 58.706 58.100 0.005 0.000 1.203 155 Y CB -1.229 37.239 38.460 0.014 0.000 0.980 155 Y HN 0.273 nan 8.280 nan 0.000 0.530 156 S N -0.541 115.227 115.700 0.114 0.000 2.387 156 S HA -0.050 4.420 4.470 -0.000 0.000 0.226 156 S C 2.321 176.989 174.600 0.114 0.000 1.026 156 S CA 0.752 59.003 58.200 0.085 0.000 0.972 156 S CB -0.344 62.874 63.200 0.030 0.000 0.814 156 S HN 0.479 nan 8.310 nan 0.000 0.477 157 A N 1.640 124.558 122.820 0.164 0.000 1.858 157 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 157 A C 2.008 179.674 177.584 0.137 0.000 1.190 157 A CA 1.954 54.108 52.037 0.196 0.000 0.617 157 A CB -0.648 18.517 19.000 0.276 0.000 0.827 157 A HN 0.365 nan 8.150 nan 0.000 0.443 158 K N 0.245 120.733 120.400 0.146 0.000 2.063 158 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 158 K C 1.985 178.633 176.600 0.081 0.000 1.048 158 K CA 2.141 58.493 56.287 0.108 0.000 0.928 158 K CB -0.573 32.000 32.500 0.122 0.000 0.713 158 K HN 0.611 nan 8.250 nan 0.000 0.442 159 M N -0.175 119.473 119.600 0.080 0.000 2.108 159 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 159 M C 1.903 178.233 176.300 0.049 0.000 1.066 159 M CA 2.294 57.627 55.300 0.056 0.000 1.107 159 M CB -1.084 31.548 32.600 0.054 0.000 1.356 159 M HN 0.280 nan 8.290 nan 0.000 0.406 160 T N -2.581 112.007 114.554 0.057 0.000 3.107 160 T HA 0.105 4.455 4.350 -0.000 0.000 0.249 160 T C 0.712 175.438 174.700 0.044 0.000 1.096 160 T CA -0.065 62.063 62.100 0.047 0.000 1.012 160 T CB -0.181 68.716 68.868 0.049 0.000 0.977 160 T HN 0.569 nan 8.240 nan 0.000 0.527 161 Q N -0.114 119.716 119.800 0.049 0.000 2.461 161 Q HA -0.202 4.138 4.340 -0.000 0.000 0.273 161 Q C -0.256 175.764 176.000 0.034 0.000 1.163 161 Q CA 0.779 56.606 55.803 0.041 0.000 0.929 161 Q CB -1.681 27.074 28.738 0.029 0.000 1.334 161 Q HN 0.628 nan 8.270 nan 0.000 0.499 162 K N 1.251 121.676 120.400 0.042 0.000 2.221 162 K HA 0.493 4.813 4.320 -0.000 0.000 0.258 162 K C -2.329 174.291 176.600 0.033 0.000 0.944 162 K CA -2.011 54.293 56.287 0.028 0.000 0.823 162 K CB 1.930 34.447 32.500 0.030 0.000 1.113 162 K HN -0.126 nan 8.250 nan 0.000 0.431 163 P HA 0.551 nan 4.420 nan 0.000 0.304 163 P C -0.853 176.391 177.300 -0.092 0.000 1.310 163 P CA -0.411 62.676 63.100 -0.022 0.000 0.796 163 P CB 1.594 33.273 31.700 -0.034 0.000 1.297 164 G N -1.181 107.505 108.800 -0.190 0.000 2.306 164 G HA2 0.305 4.265 3.960 -0.000 0.000 0.340 164 G HA3 0.305 4.265 3.960 -0.000 0.000 0.340 164 G C -0.768 173.673 174.900 -0.766 0.000 1.630 164 G CA -0.345 44.527 45.100 -0.380 0.000 0.937 164 G HN 0.713 nan 8.290 nan 0.000 0.693 165 T N -0.771 113.392 114.554 -0.652 0.000 2.882 165 T HA 0.791 5.141 4.350 -0.000 0.000 0.287 165 T C -0.327 173.908 174.700 -0.775 0.000 0.992 165 T CA -0.556 61.140 62.100 -0.674 0.000 1.076 165 T CB 0.816 69.483 68.868 -0.334 0.000 0.961 165 T HN 0.720 nan 8.240 nan 0.000 0.490 166 F N 1.737 121.624 119.950 -0.105 0.000 2.480 166 F HA 0.500 5.027 4.527 0.000 0.000 0.329 166 F C 0.575 176.302 175.800 -0.122 0.000 1.091 166 F CA -1.407 56.533 58.000 -0.100 0.000 0.972 166 F CB 1.141 40.088 39.000 -0.089 0.000 1.150 166 F HN 0.437 nan 8.300 nan 0.000 0.467 167 N N 1.560 120.303 118.700 0.072 0.000 2.472 167 N HA 0.386 5.126 4.740 -0.000 0.000 0.277 167 N C -0.661 174.838 175.510 -0.017 0.000 1.081 167 N CA -0.354 52.674 53.050 -0.037 0.000 0.973 167 N CB 1.593 40.036 38.487 -0.074 0.000 1.105 167 N HN 0.502 nan 8.380 nan 0.000 0.470 168 V N 0.135 120.016 119.914 -0.054 0.000 2.743 168 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 168 V C 1.183 177.210 176.094 -0.111 0.000 1.057 168 V CA -0.421 61.852 62.300 -0.044 0.000 1.006 168 V CB 1.379 33.201 31.823 -0.002 0.000 1.024 168 V HN 0.696 nan 8.190 nan 0.000 0.473 169 S N 1.491 117.143 115.700 -0.080 0.000 2.371 169 S HA 0.387 4.857 4.470 -0.000 0.000 0.219 169 S C 0.276 174.874 174.600 -0.003 0.000 1.040 169 S CA 0.387 58.552 58.200 -0.059 0.000 0.958 169 S CB -0.517 62.695 63.200 0.020 0.000 0.860 169 S HN 1.156 nan 8.310 nan 0.000 0.487 176 N N 0.255 118.991 118.700 0.061 0.000 2.455 176 N HA -0.083 4.657 4.740 -0.000 0.000 0.329 176 N C -0.050 175.494 175.510 0.056 0.000 1.589 176 N CA 0.181 53.263 53.050 0.053 0.000 3.098 176 N CB 0.330 38.846 38.487 0.048 0.000 1.626 176 N HN 0.434 nan 8.380 nan 0.000 1.125 177 R N 0.537 121.075 120.500 0.064 0.000 2.834 177 R HA 0.396 4.736 4.340 -0.000 0.000 0.095 177 R C -0.512 175.824 176.300 0.060 0.000 0.743 177 R CA -0.135 56.003 56.100 0.064 0.000 0.563 177 R CB 0.086 30.431 30.300 0.075 0.000 0.484 177 R HN 0.119 nan 8.270 nan 0.000 0.336 178 E N 0.387 120.625 120.200 0.062 0.000 3.625 178 E HA 0.139 4.489 4.350 -0.000 0.000 0.166 178 E C -0.711 175.924 176.600 0.058 0.000 0.978 178 E CA -0.213 56.215 56.400 0.047 0.000 1.429 178 E CB 0.721 30.450 29.700 0.047 0.000 1.100 178 E HN 0.155 nan 8.360 nan 0.000 0.428 179 Q N 1.359 121.197 119.800 0.063 0.000 2.628 179 Q HA 0.293 4.633 4.340 -0.000 0.000 0.397 179 Q C 0.075 176.092 176.000 0.028 0.000 0.916 179 Q CA -0.013 55.823 55.803 0.056 0.000 1.071 179 Q CB 1.061 29.860 28.738 0.101 0.000 1.367 179 Q HN 0.467 nan 8.270 nan 0.000 0.404 180 R N -0.925 119.588 120.500 0.022 0.000 2.555 180 R HA 0.183 4.523 4.340 -0.000 0.000 0.312 180 R C 0.246 176.592 176.300 0.076 0.000 0.938 180 R CA 0.218 56.349 56.100 0.053 0.000 1.112 180 R CB 0.958 31.296 30.300 0.063 0.000 1.535 180 R HN 0.055 nan 8.270 nan 0.000 0.525 181 V N 0.732 120.633 119.914 -0.022 0.000 3.078 181 V HA 0.436 4.556 4.120 -0.000 0.000 0.344 181 V C 1.009 176.935 176.094 -0.280 0.000 1.409 181 V CA 0.637 62.836 62.300 -0.168 0.000 1.146 181 V CB 0.788 32.460 31.823 -0.252 0.000 1.126 181 V HN 0.401 nan 8.190 nan 0.000 0.513 182 A N 0.568 123.262 122.820 -0.210 0.000 1.902 182 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 182 A C 1.822 179.188 177.584 -0.363 0.000 1.181 182 A CA 2.294 54.167 52.037 -0.273 0.000 0.623 182 A CB -0.686 18.070 19.000 -0.407 0.000 0.818 182 A HN 0.957 nan 8.150 nan 0.000 0.443 183 Y N -2.814 117.191 120.300 -0.492 0.000 2.384 183 Y HA -0.093 4.457 4.550 -0.000 0.000 0.289 183 Y C 1.870 177.865 175.900 0.158 0.000 1.152 183 Y CA 1.028 59.018 58.100 -0.183 0.000 1.258 183 Y CB -0.803 37.778 38.460 0.201 0.000 0.979 183 Y HN 0.249 nan 8.280 nan 0.000 0.549 184 F N 1.439 120.939 119.950 -0.750 0.000 2.147 184 F HA 0.247 4.774 4.527 -0.000 0.000 0.291 184 F C 2.441 178.146 175.800 -0.157 0.000 1.093 184 F CA 1.531 59.257 58.000 -0.457 0.000 1.263 184 F CB -0.625 38.061 39.000 -0.524 0.000 1.036 184 F HN 0.047 nan 8.300 nan 0.000 0.481 185 G N -0.703 108.189 108.800 0.154 0.000 2.464 185 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 185 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 185 G C 1.272 176.166 174.900 -0.009 0.000 1.138 185 G CA 0.392 45.536 45.100 0.074 0.000 0.793 185 G HN 0.435 nan 8.290 nan 0.000 0.539 186 E N 0.377 120.602 120.200 0.041 0.000 2.476 186 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 186 E C -0.047 176.629 176.600 0.127 0.000 1.064 186 E CA -0.394 56.069 56.400 0.105 0.000 0.866 186 E CB 0.304 30.130 29.700 0.209 0.000 0.952 186 E HN 0.279 nan 8.360 nan 0.000 0.492 187 D N 1.062 121.495 120.400 0.056 0.000 2.351 187 D HA -0.023 4.617 4.640 -0.000 0.000 0.251 187 D C 1.353 177.646 176.300 -0.012 0.000 1.137 187 D CA -0.197 53.817 54.000 0.023 0.000 0.879 187 D CB 0.987 41.784 40.800 -0.006 0.000 1.181 187 D HN 0.113 nan 8.370 nan 0.000 0.448 188 I N 1.687 122.209 120.570 -0.081 0.000 2.567 188 I HA -0.002 4.168 4.170 -0.000 0.000 0.257 188 I C 1.870 177.947 176.117 -0.067 0.000 1.184 188 I CA 0.977 62.196 61.300 -0.134 0.000 1.451 188 I CB -0.304 37.240 38.000 -0.759 0.000 1.089 188 I HN 0.364 nan 8.210 nan 0.000 0.441 189 G N 0.953 109.680 108.800 -0.121 0.000 2.411 189 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.213 189 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.213 189 G C 1.617 176.543 174.900 0.044 0.000 1.166 189 G CA 0.285 45.365 45.100 -0.033 0.000 0.802 189 G HN 0.130 nan 8.290 nan 0.000 0.533 190 M N 1.019 120.597 119.600 -0.036 0.000 2.067 190 M HA -0.072 4.408 4.480 -0.000 0.000 0.260 190 M C 2.302 178.665 176.300 0.105 0.000 1.069 190 M CA 1.195 56.468 55.300 -0.047 0.000 1.117 190 M CB -1.420 31.008 32.600 -0.287 0.000 1.334 190 M HN 0.317 nan 8.290 nan 0.000 0.407 191 N N 0.282 119.035 118.700 0.089 0.000 2.060 191 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 191 N C 1.720 177.435 175.510 0.341 0.000 1.028 191 N CA 1.130 54.298 53.050 0.197 0.000 0.861 191 N CB -0.021 38.583 38.487 0.196 0.000 1.029 191 N HN 0.185 nan 8.380 nan 0.000 0.428 192 I N 1.121 121.913 120.570 0.369 0.000 2.052 192 I HA -0.319 3.851 4.170 -0.000 0.000 0.235 192 I C 2.392 178.675 176.117 0.277 0.000 1.046 192 I CA 1.684 63.174 61.300 0.315 0.000 1.308 192 I CB -1.625 36.496 38.000 0.201 0.000 1.031 192 I HN 0.312 nan 8.210 nan 0.000 0.395 193 H N 0.773 119.934 119.070 0.152 0.000 2.272 193 H HA -0.305 4.251 4.556 0.000 0.000 0.289 193 H C 2.470 177.931 175.328 0.222 0.000 1.100 193 H CA 2.634 58.773 56.048 0.151 0.000 1.209 193 H CB -0.952 28.861 29.762 0.084 0.000 1.348 193 H HN 0.462 nan 8.280 nan 0.000 0.481 194 H N -0.501 118.512 119.070 -0.095 0.000 2.390 194 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 194 H C 2.360 177.717 175.328 0.048 0.000 1.106 194 H CA 2.049 57.963 56.048 -0.223 0.000 1.297 194 H CB 0.007 29.650 29.762 -0.198 0.000 1.375 194 H HN 0.396 nan 8.280 nan 0.000 0.509 195 V N -1.055 118.906 119.914 0.078 0.000 2.346 195 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 195 V C 2.201 178.405 176.094 0.183 0.000 1.037 195 V CA 1.988 64.388 62.300 0.168 0.000 1.029 195 V CB -0.878 31.092 31.823 0.245 0.000 0.663 195 V HN 0.332 nan 8.190 nan 0.000 0.454 196 T N -0.584 114.066 114.554 0.160 0.000 2.699 196 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 196 T C 1.271 176.033 174.700 0.103 0.000 1.036 196 T CA 2.447 64.626 62.100 0.131 0.000 1.147 196 T CB -0.622 68.335 68.868 0.148 0.000 0.862 196 T HN 0.828 nan 8.240 nan 0.000 0.446 197 W N 1.516 122.814 121.300 -0.004 0.000 2.342 197 W HA -0.140 4.520 4.660 -0.000 0.000 0.297 197 W C 2.014 178.532 176.519 -0.001 0.000 1.213 197 W CA 1.148 58.479 57.345 -0.024 0.000 1.251 197 W CB -0.208 29.092 29.460 -0.267 0.000 1.136 197 W HN 0.398 nan 8.180 nan 0.000 0.526 198 H N -0.884 118.302 119.070 0.193 0.000 2.547 198 H HA 0.089 4.645 4.556 0.000 0.000 0.266 198 H C 1.632 176.990 175.328 0.049 0.000 0.988 198 H CA 1.026 57.154 56.048 0.134 0.000 1.147 198 H CB -0.047 29.707 29.762 -0.013 0.000 1.365 198 H HN 0.338 nan 8.280 nan 0.000 0.589 199 M N -0.442 119.203 119.600 0.074 0.000 2.730 199 M HA -0.019 4.461 4.480 -0.000 0.000 0.258 199 M C 1.224 177.471 176.300 -0.088 0.000 1.279 199 M CA 0.480 55.793 55.300 0.023 0.000 1.183 199 M CB 0.619 33.232 32.600 0.021 0.000 1.291 199 M HN -0.030 nan 8.290 nan 0.000 0.518 200 D N 0.469 120.698 120.400 -0.285 0.000 2.077 200 D HA -0.057 4.583 4.640 -0.000 0.000 0.196 200 D C -0.147 175.556 176.300 -0.996 0.000 0.986 200 D CA 1.531 55.135 54.000 -0.660 0.000 0.829 200 D CB 0.067 40.370 40.800 -0.828 0.000 0.983 200 D HN 0.205 nan 8.370 nan 0.000 0.453 201 F N 0.268 119.795 119.950 -0.706 0.000 2.453 201 F HA 0.382 4.909 4.527 -0.000 0.000 0.358 201 F C -2.378 173.114 175.800 -0.512 0.000 1.129 201 F CA -2.504 55.084 58.000 -0.687 0.000 1.200 201 F CB 1.381 39.910 39.000 -0.785 0.000 1.431 201 F HN -0.298 nan 8.300 nan 0.000 0.503 202 P HA 0.012 nan 4.420 nan 0.000 0.269 202 P C 0.871 177.940 177.300 -0.385 0.000 1.209 202 P CA -0.260 62.510 63.100 -0.550 0.000 0.776 202 P CB 0.433 31.302 31.700 -1.384 0.000 0.876 203 F N 1.899 121.839 119.950 -0.017 0.000 2.365 203 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 203 F C 1.277 177.110 175.800 0.055 0.000 1.090 203 F CA 0.341 58.402 58.000 0.102 0.000 1.408 203 F CB -1.239 37.947 39.000 0.311 0.000 1.060 203 F HN 0.395 nan 8.300 nan 0.000 0.534 204 W N -0.874 120.377 121.300 -0.081 0.000 3.197 204 W HA 0.127 4.787 4.660 0.000 0.000 0.274 204 W C 0.754 177.355 176.519 0.137 0.000 1.297 204 W CA -1.243 56.128 57.345 0.042 0.000 1.662 204 W CB -1.328 28.034 29.460 -0.163 0.000 1.106 204 W HN 0.035 nan 8.180 nan 0.000 0.663 205 W N 4.971 126.068 121.300 -0.338 0.000 2.435 205 W HA 0.026 4.686 4.660 -0.000 0.000 0.337 205 W C -0.468 176.095 176.519 0.074 0.000 1.300 205 W CA 1.082 58.314 57.345 -0.188 0.000 1.298 205 W CB 0.451 29.605 29.460 -0.511 0.000 1.217 205 W HN 0.055 nan 8.180 nan 0.000 0.565 206 E N 3.966 123.939 120.200 -0.378 0.000 2.212 206 E HA 0.044 4.394 4.350 -0.000 0.000 0.268 206 E C 0.135 176.351 176.600 -0.641 0.000 0.902 206 E CA -0.729 55.454 56.400 -0.361 0.000 0.779 206 E CB 1.439 30.855 29.700 -0.473 0.000 1.172 206 E HN 0.320 nan 8.360 nan 0.000 0.409 207 D N 1.159 121.453 120.400 -0.177 0.000 2.338 207 D HA -0.016 4.624 4.640 -0.000 0.000 0.239 207 D C 0.855 177.069 176.300 -0.143 0.000 1.095 207 D CA 0.440 54.407 54.000 -0.055 0.000 0.888 207 D CB 0.244 41.181 40.800 0.229 0.000 0.899 207 D HN 0.181 nan 8.370 nan 0.000 0.525 208 S N 0.143 115.637 115.700 -0.343 0.000 2.395 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 208 S C 1.563 175.984 174.600 -0.299 0.000 1.027 208 S CA 0.290 58.317 58.200 -0.289 0.000 0.965 208 S CB -0.348 62.632 63.200 -0.367 0.000 0.812 208 S HN 0.266 nan 8.310 nan 0.000 0.482 209 Y N 1.943 122.011 120.300 -0.385 0.000 2.365 209 Y HA 0.036 4.586 4.550 -0.000 0.000 0.287 209 Y C 2.219 178.022 175.900 -0.163 0.000 1.162 209 Y CA 0.501 58.349 58.100 -0.420 0.000 1.260 209 Y CB -0.781 37.035 38.460 -1.073 0.000 0.976 209 Y HN 0.459 nan 8.280 nan 0.000 0.548 210 G N -2.941 105.898 108.800 0.064 0.000 3.611 210 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.217 210 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.217 210 G C -0.154 175.055 174.900 0.515 0.000 1.023 210 G CA -0.042 45.248 45.100 0.317 0.000 0.887 210 G HN 0.355 nan 8.290 nan 0.000 0.420 211 Y N -0.748 119.870 120.300 0.530 0.000 3.059 211 Y HA 0.873 5.423 4.550 0.000 0.000 0.301 211 Y C -0.532 175.720 175.900 0.587 0.000 1.677 211 Y CA -1.279 57.085 58.100 0.439 0.000 1.079 211 Y CB 0.664 39.351 38.460 0.378 0.000 1.534 211 Y HN 0.314 nan 8.280 nan 0.000 0.473 212 H N 0.071 119.436 119.070 0.492 0.000 2.667 212 H HA 0.615 5.171 4.556 -0.000 0.000 0.353 212 H C -1.950 173.584 175.328 0.344 0.000 1.072 212 H CA -0.805 55.508 56.048 0.443 0.000 1.214 212 H CB 1.369 31.302 29.762 0.284 0.000 1.600 212 H HN 0.621 nan 8.280 nan 0.000 0.527 213 L N 4.839 126.074 121.223 0.020 0.000 2.361 213 L HA 0.080 4.420 4.340 -0.000 0.000 0.278 213 L C 1.420 178.481 176.870 0.318 0.000 1.113 213 L CA 0.346 55.258 54.840 0.119 0.000 0.849 213 L CB 0.588 42.573 42.059 -0.123 0.000 1.155 213 L HN 0.856 nan 8.230 nan 0.000 0.452 214 D N 2.283 122.961 120.400 0.464 0.000 2.137 214 D HA -0.195 4.445 4.640 -0.000 0.000 0.189 214 D C 1.174 177.670 176.300 0.325 0.000 0.998 214 D CA 1.851 56.114 54.000 0.438 0.000 0.839 214 D CB 0.296 41.282 40.800 0.310 0.000 0.962 214 D HN 0.458 nan 8.370 nan 0.000 0.446 215 R N -0.592 120.013 120.500 0.175 0.000 2.698 215 R HA 0.163 4.503 4.340 -0.000 0.000 0.422 215 R C -0.581 175.762 176.300 0.072 0.000 1.073 215 R CA -0.301 55.871 56.100 0.121 0.000 1.054 215 R CB 0.771 31.089 30.300 0.030 0.000 1.373 215 R HN 0.065 nan 8.270 nan 0.000 0.593 216 K N 0.329 120.792 120.400 0.105 0.000 2.453 216 K HA 0.137 4.457 4.320 -0.000 0.000 0.280 216 K C 0.784 177.488 176.600 0.174 0.000 1.045 216 K CA 0.809 57.135 56.287 0.065 0.000 1.059 216 K CB 0.753 33.290 32.500 0.062 0.000 0.901 216 K HN 0.432 nan 8.250 nan 0.000 0.475 217 G N 3.261 112.195 108.800 0.224 0.000 3.826 217 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.194 217 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.194 217 G C 0.750 175.788 174.900 0.230 0.000 2.087 217 G CA -0.437 44.795 45.100 0.219 0.000 1.230 217 G HN 0.563 nan 8.290 nan 0.000 0.393 218 E N 0.658 120.961 120.200 0.172 0.000 2.152 218 E HA 0.081 4.431 4.350 -0.000 0.000 0.192 218 E C 2.478 179.167 176.600 0.148 0.000 0.983 218 E CA 0.779 57.299 56.400 0.200 0.000 0.818 218 E CB 0.092 29.870 29.700 0.130 0.000 0.758 218 E HN 0.292 nan 8.360 nan 0.000 0.467 219 L N 0.531 121.791 121.223 0.061 0.000 2.012 219 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 219 L C 2.193 179.097 176.870 0.056 0.000 1.073 219 L CA 1.573 56.437 54.840 0.039 0.000 0.748 219 L CB -1.026 40.949 42.059 -0.140 0.000 0.891 219 L HN 0.112 nan 8.230 nan 0.000 0.431 220 F N -0.216 119.765 119.950 0.051 0.000 2.046 220 F HA -0.339 4.188 4.527 -0.000 0.000 0.297 220 F C 2.570 178.324 175.800 -0.078 0.000 1.123 220 F CA 1.712 59.698 58.000 -0.023 0.000 1.199 220 F CB -0.724 38.387 39.000 0.184 0.000 0.972 220 F HN 0.174 nan 8.300 nan 0.000 0.474 221 F N 0.777 120.736 119.950 0.015 0.000 2.045 221 F HA -0.336 4.191 4.527 -0.000 0.000 0.297 221 F C 2.329 177.990 175.800 -0.232 0.000 1.114 221 F CA 2.400 60.088 58.000 -0.521 0.000 1.207 221 F CB -1.549 36.973 39.000 -0.796 0.000 0.964 221 F HN 0.346 nan 8.300 nan 0.000 0.486 222 W N 1.153 121.882 121.300 -0.951 0.000 2.355 222 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 222 W C 2.264 178.393 176.519 -0.649 0.000 1.206 222 W CA 2.342 59.142 57.345 -0.908 0.000 1.284 222 W CB -0.637 28.488 29.460 -0.558 0.000 1.145 222 W HN -0.071 nan 8.180 nan 0.000 0.502 223 V N 0.747 120.214 119.914 -0.744 0.000 2.469 223 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 223 V C 1.856 177.326 176.094 -1.039 0.000 1.064 223 V CA 2.408 64.120 62.300 -0.981 0.000 1.066 223 V CB -1.118 29.805 31.823 -1.500 0.000 0.667 223 V HN 0.205 nan 8.190 nan 0.000 0.461 224 H N -2.005 116.635 119.070 -0.717 0.000 2.465 224 H HA -0.013 4.543 4.556 0.000 0.000 0.289 224 H C 2.254 177.367 175.328 -0.358 0.000 1.022 224 H CA 1.292 57.033 56.048 -0.511 0.000 1.340 224 H CB -0.157 29.323 29.762 -0.471 0.000 1.437 224 H HN 0.525 nan 8.280 nan 0.000 0.539 225 H N 0.703 119.461 119.070 -0.520 0.000 2.423 225 H HA -0.059 4.497 4.556 -0.000 0.000 0.297 225 H C 1.440 176.367 175.328 -0.668 0.000 1.075 225 H CA 1.092 56.778 56.048 -0.604 0.000 1.342 225 H CB 0.497 29.673 29.762 -0.977 0.000 1.395 225 H HN 0.418 nan 8.280 nan 0.000 0.530 226 Q N -0.130 119.068 119.800 -1.003 0.000 2.165 226 Q HA -0.053 4.287 4.340 -0.000 0.000 0.197 226 Q C 2.506 178.256 176.000 -0.418 0.000 0.952 226 Q CA 0.251 55.566 55.803 -0.814 0.000 0.848 226 Q CB 0.317 28.502 28.738 -0.922 0.000 0.931 226 Q HN 0.282 nan 8.270 nan 0.000 0.470 227 L N 0.612 121.643 121.223 -0.321 0.000 1.951 227 L HA -0.259 4.081 4.340 -0.000 0.000 0.222 227 L C 2.451 179.343 176.870 0.037 0.000 1.078 227 L CA 2.208 57.032 54.840 -0.027 0.000 0.778 227 L CB -1.428 40.686 42.059 0.091 0.000 0.893 227 L HN 0.221 nan 8.230 nan 0.000 0.436 228 T N -0.405 114.164 114.554 0.025 0.000 2.680 228 T HA -0.317 4.033 4.350 -0.000 0.000 0.268 228 T C 1.876 176.553 174.700 -0.038 0.000 1.033 228 T CA 1.590 63.750 62.100 0.099 0.000 1.152 228 T CB -0.641 68.325 68.868 0.163 0.000 0.859 228 T HN 0.478 nan 8.240 nan 0.000 0.452 229 A N 1.910 124.585 122.820 -0.243 0.000 1.845 229 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 229 A C 2.404 179.886 177.584 -0.169 0.000 1.195 229 A CA 1.649 53.527 52.037 -0.265 0.000 0.616 229 A CB -0.630 18.068 19.000 -0.503 0.000 0.832 229 A HN 0.457 nan 8.150 nan 0.000 0.443 230 R N -1.936 118.480 120.500 -0.141 0.000 2.117 230 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 230 R C 1.999 178.086 176.300 -0.355 0.000 1.143 230 R CA 1.639 57.687 56.100 -0.087 0.000 0.968 230 R CB -0.583 29.751 30.300 0.056 0.000 0.863 230 R HN 0.562 nan 8.270 nan 0.000 0.444 231 F N 2.332 121.903 119.950 -0.632 0.000 2.051 231 F HA -0.226 4.301 4.527 -0.000 0.000 0.296 231 F C 1.884 177.273 175.800 -0.685 0.000 1.122 231 F CA 1.680 59.051 58.000 -1.047 0.000 1.201 231 F CB -0.519 37.826 39.000 -1.091 0.000 0.978 231 F HN -0.082 nan 8.300 nan 0.000 0.472 232 D N -0.141 120.025 120.400 -0.390 0.000 2.158 232 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 232 D C 2.343 178.293 176.300 -0.584 0.000 0.995 232 D CA 1.381 55.090 54.000 -0.485 0.000 0.846 232 D CB -0.585 40.090 40.800 -0.209 0.000 0.941 232 D HN 0.265 nan 8.370 nan 0.000 0.456 233 F N 1.513 121.175 119.950 -0.481 0.000 2.069 233 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 233 F C 2.438 177.962 175.800 -0.460 0.000 1.113 233 F CA 1.160 58.893 58.000 -0.445 0.000 1.214 233 F CB -0.281 38.473 39.000 -0.410 0.000 0.978 233 F HN -0.104 nan 8.300 nan 0.000 0.474 234 E N 0.449 120.469 120.200 -0.300 0.000 2.130 234 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 234 E C 2.114 178.471 176.600 -0.404 0.000 0.998 234 E CA 1.618 57.810 56.400 -0.347 0.000 0.806 234 E CB -0.636 28.796 29.700 -0.446 0.000 0.738 234 E HN 0.554 nan 8.360 nan 0.000 0.459 235 R N 0.337 120.476 120.500 -0.603 0.000 2.148 235 R HA -0.029 4.311 4.340 -0.000 0.000 0.227 235 R C 2.369 178.447 176.300 -0.370 0.000 1.103 235 R CA 0.660 56.446 56.100 -0.524 0.000 0.983 235 R CB -0.572 29.354 30.300 -0.623 0.000 0.874 235 R HN 0.049 nan 8.270 nan 0.000 0.451 236 L N 1.576 122.585 121.223 -0.357 0.000 1.970 236 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 236 L C 1.892 178.533 176.870 -0.383 0.000 1.071 236 L CA 1.919 56.585 54.840 -0.291 0.000 0.751 236 L CB -0.566 41.365 42.059 -0.213 0.000 0.889 236 L HN 0.093 nan 8.230 nan 0.000 0.432 237 S N -0.100 115.403 115.700 -0.328 0.000 2.537 237 S HA -0.065 4.405 4.470 -0.000 0.000 0.240 237 S C 1.127 175.329 174.600 -0.664 0.000 0.981 237 S CA 0.843 58.778 58.200 -0.442 0.000 0.948 237 S CB -0.526 62.543 63.200 -0.219 0.000 0.759 237 S HN 0.523 nan 8.310 nan 0.000 0.531 238 N N -0.545 117.833 118.700 -0.537 0.000 2.338 238 N HA 0.117 4.857 4.740 -0.000 0.000 0.251 238 N C -0.858 174.428 175.510 -0.373 0.000 1.199 238 N CA -0.135 52.615 53.050 -0.499 0.000 0.879 238 N CB 0.311 38.687 38.487 -0.185 0.000 1.159 238 N HN 0.487 nan 8.380 nan 0.000 0.514 239 W N -0.040 121.239 121.300 -0.035 0.000 3.207 239 W HA -0.240 4.420 4.660 -0.000 0.000 0.291 239 W C -0.095 176.394 176.519 -0.051 0.000 1.105 239 W CA -0.129 57.195 57.345 -0.034 0.000 0.612 239 W CB -2.106 27.345 29.460 -0.016 0.000 2.140 239 W HN 0.094 nan 8.180 nan 0.000 1.420 240 L N 0.823 122.016 121.223 -0.050 0.000 2.416 240 L HA 0.377 4.717 4.340 -0.000 0.000 0.262 240 L C 0.919 177.740 176.870 -0.081 0.000 1.093 240 L CA -0.489 54.321 54.840 -0.051 0.000 0.801 240 L CB 0.578 42.563 42.059 -0.124 0.000 1.191 240 L HN -0.211 nan 8.230 nan 0.000 0.459 241 D N 0.846 121.209 120.400 -0.061 0.000 2.163 241 D HA 0.317 4.957 4.640 -0.000 0.000 0.248 241 D C -2.170 174.079 176.300 -0.085 0.000 1.035 241 D CA -1.073 52.892 54.000 -0.059 0.000 0.872 241 D CB 1.676 42.469 40.800 -0.012 0.000 1.183 241 D HN 0.195 nan 8.370 nan 0.000 0.445 242 P HA -0.154 nan 4.420 nan 0.000 0.271 242 P C -0.457 176.841 177.300 -0.004 0.000 1.179 242 P CA 0.219 63.290 63.100 -0.048 0.000 0.766 242 P CB 0.408 32.150 31.700 0.071 0.000 0.789 243 V N -0.441 119.496 119.914 0.039 0.000 2.530 243 V HA 0.191 4.311 4.120 -0.000 0.000 0.282 243 V C 0.049 176.192 176.094 0.082 0.000 1.048 243 V CA -1.013 61.343 62.300 0.093 0.000 0.997 243 V CB 0.282 32.239 31.823 0.223 0.000 0.987 243 V HN 0.401 nan 8.190 nan 0.000 0.477 244 D N 2.734 123.165 120.400 0.052 0.000 2.515 244 D HA 0.032 4.672 4.640 -0.000 0.000 0.232 244 D C 0.156 176.454 176.300 -0.004 0.000 1.157 244 D CA 0.375 54.387 54.000 0.021 0.000 0.871 244 D CB 0.434 41.230 40.800 -0.007 0.000 1.200 244 D HN 0.953 nan 8.370 nan 0.000 0.466 245 E N 0.495 120.669 120.200 -0.044 0.000 2.301 245 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 245 E C -0.755 175.646 176.600 -0.331 0.000 1.030 245 E CA -0.942 55.400 56.400 -0.098 0.000 0.852 245 E CB 0.850 30.517 29.700 -0.055 0.000 1.060 245 E HN 0.391 nan 8.360 nan 0.000 0.401 246 L N 4.332 125.316 121.223 -0.398 0.000 2.380 246 L HA 0.261 4.601 4.340 -0.000 0.000 0.273 246 L C -1.193 175.150 176.870 -0.877 0.000 1.138 246 L CA 0.256 54.745 54.840 -0.585 0.000 0.832 246 L CB 0.544 42.198 42.059 -0.675 0.000 1.124 246 L HN 0.640 nan 8.230 nan 0.000 0.454 247 H N 2.398 121.269 119.070 -0.331 0.000 2.679 247 H HA 0.271 4.827 4.556 -0.000 0.000 0.367 247 H C -0.675 174.439 175.328 -0.356 0.000 1.162 247 H CA -0.211 55.657 56.048 -0.301 0.000 1.181 247 H CB 0.994 30.734 29.762 -0.036 0.000 1.693 247 H HN 0.740 nan 8.280 nan 0.000 0.538 248 W N 0.211 121.500 121.300 -0.018 0.000 2.905 248 W HA 0.014 4.674 4.660 -0.000 0.000 0.251 248 W C 0.763 177.323 176.519 0.069 0.000 1.305 248 W CA 0.391 57.646 57.345 -0.149 0.000 1.465 248 W CB 0.006 29.280 29.460 -0.309 0.000 1.122 248 W HN 0.709 nan 8.180 nan 0.000 0.659 249 D N -0.843 119.734 120.400 0.296 0.000 2.339 249 D HA 0.011 4.651 4.640 -0.000 0.000 0.217 249 D C 1.017 177.462 176.300 0.242 0.000 1.050 249 D CA 0.202 54.342 54.000 0.233 0.000 0.856 249 D CB 0.026 40.919 40.800 0.154 0.000 0.922 249 D HN -0.100 nan 8.370 nan 0.000 0.518 250 R N 0.488 121.149 120.500 0.268 0.000 2.943 250 R HA 0.568 4.908 4.340 -0.000 0.000 0.246 250 R C 0.426 176.826 176.300 0.166 0.000 1.201 250 R CA -1.107 55.129 56.100 0.227 0.000 1.056 250 R CB 0.609 31.030 30.300 0.203 0.000 1.243 250 R HN 0.095 nan 8.270 nan 0.000 0.498 251 I N -1.022 119.538 120.570 -0.016 0.000 2.823 251 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 251 I C 0.459 176.475 176.117 -0.168 0.000 1.091 251 I CA -0.400 60.738 61.300 -0.270 0.000 1.365 251 I CB 0.317 38.110 38.000 -0.345 0.000 1.427 251 I HN 0.279 nan 8.210 nan 0.000 0.583 252 I N 4.199 124.613 120.570 -0.260 0.000 2.278 252 I HA 0.210 4.380 4.170 -0.000 0.000 0.296 252 I C 1.261 177.274 176.117 -0.173 0.000 1.121 252 I CA -0.433 60.718 61.300 -0.247 0.000 1.267 252 I CB 0.265 38.033 38.000 -0.387 0.000 1.447 252 I HN 0.735 nan 8.210 nan 0.000 0.509 253 R N 3.200 123.629 120.500 -0.120 0.000 2.103 253 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 253 R C 0.603 176.863 176.300 -0.066 0.000 1.132 253 R CA 1.543 57.595 56.100 -0.080 0.000 0.925 253 R CB -0.088 30.186 30.300 -0.045 0.000 0.842 253 R HN 0.515 nan 8.270 nan 0.000 0.430 254 E N 0.876 121.040 120.200 -0.059 0.000 1.924 254 E HA 0.229 4.579 4.350 -0.000 0.000 0.261 254 E C -0.454 176.122 176.600 -0.041 0.000 1.088 254 E CA -0.194 56.186 56.400 -0.033 0.000 0.909 254 E CB 0.401 30.088 29.700 -0.022 0.000 1.112 254 E HN 0.331 nan 8.360 nan 0.000 0.425 255 G N 2.349 111.141 108.800 -0.012 0.000 2.535 255 G HA2 0.554 4.514 3.960 -0.000 0.000 0.303 255 G HA3 0.554 4.514 3.960 -0.000 0.000 0.303 255 G C -0.841 174.155 174.900 0.160 0.000 1.237 255 G CA -0.434 44.679 45.100 0.022 0.000 0.986 255 G HN 0.385 nan 8.290 nan 0.000 0.494 256 F N -1.873 118.069 119.950 -0.015 0.000 2.685 256 F HA 0.847 5.374 4.527 -0.000 0.000 0.315 256 F C -0.761 175.040 175.800 0.003 0.000 1.126 256 F CA -2.881 55.120 58.000 0.002 0.000 0.950 256 F CB 1.412 40.419 39.000 0.012 0.000 1.360 256 F HN 0.826 nan 8.300 nan 0.000 0.469 257 A N 2.640 125.317 122.820 -0.239 0.000 2.318 257 A HA 0.725 5.045 4.320 -0.000 0.000 0.317 257 A C -2.415 174.558 177.584 -1.019 0.000 1.159 257 A CA -1.446 50.337 52.037 -0.424 0.000 0.799 257 A CB 1.072 19.971 19.000 -0.168 0.000 1.194 257 A HN 0.663 nan 8.150 nan 0.000 0.479 258 P HA 0.088 nan 4.420 nan 0.000 0.252 258 P C 0.208 177.308 177.300 -0.333 0.000 1.218 258 P CA 0.078 62.663 63.100 -0.859 0.000 0.807 258 P CB 0.101 31.486 31.700 -0.525 0.000 1.072 259 L N -0.044 121.061 121.223 -0.196 0.000 3.839 259 L HA -0.150 4.190 4.340 -0.000 0.000 0.416 259 L C -0.212 176.664 176.870 0.009 0.000 1.195 259 L CA 1.119 55.918 54.840 -0.069 0.000 0.946 259 L CB -3.070 38.936 42.059 -0.089 0.000 1.891 259 L HN 0.073 nan 8.230 nan 0.000 0.963 260 T N -0.882 113.729 114.554 0.095 0.000 2.888 260 T HA 0.732 5.082 4.350 -0.000 0.000 0.284 260 T C 0.251 175.307 174.700 0.592 0.000 1.017 260 T CA -0.348 61.917 62.100 0.274 0.000 1.022 260 T CB 2.021 70.889 68.868 0.001 0.000 1.013 260 T HN 0.148 nan 8.240 nan 0.000 0.465 261 S N 0.991 116.937 115.700 0.411 0.000 2.526 261 S HA 0.587 5.057 4.470 -0.000 0.000 0.293 261 S C -1.141 173.532 174.600 0.122 0.000 1.092 261 S CA -0.715 57.589 58.200 0.173 0.000 0.980 261 S CB 0.817 64.083 63.200 0.111 0.000 1.048 261 S HN 0.543 nan 8.310 nan 0.000 0.483 262 Y N 1.794 121.919 120.300 -0.292 0.000 2.281 262 Y HA 0.288 4.838 4.550 0.000 0.000 0.337 262 Y C 1.686 177.357 175.900 -0.382 0.000 1.304 262 Y CA 0.061 57.984 58.100 -0.294 0.000 1.465 262 Y CB 0.580 38.826 38.460 -0.357 0.000 1.350 262 Y HN 0.525 nan 8.280 nan 0.000 0.575 263 K N 0.359 120.530 120.400 -0.381 0.000 2.157 263 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 263 K C -0.815 175.485 176.600 -0.499 0.000 1.030 263 K CA 0.913 56.636 56.287 -0.940 0.000 0.965 263 K CB -0.052 31.659 32.500 -1.316 0.000 0.877 263 K HN 0.549 nan 8.250 nan 0.000 0.460 264 Y N -0.509 119.790 120.300 -0.001 0.000 2.331 264 Y HA 0.422 4.972 4.550 0.000 0.000 0.338 264 Y C 1.076 177.008 175.900 0.055 0.000 0.992 264 Y CA -0.011 58.106 58.100 0.028 0.000 1.121 264 Y CB 1.795 40.301 38.460 0.076 0.000 1.184 264 Y HN 0.495 nan 8.280 nan 0.000 0.469 265 G N 0.487 109.360 108.800 0.122 0.000 3.709 265 G HA2 0.331 4.291 3.960 -0.000 0.000 0.196 265 G HA3 0.331 4.291 3.960 -0.000 0.000 0.196 265 G C 0.286 175.074 174.900 -0.187 0.000 1.177 265 G CA 0.054 45.119 45.100 -0.057 0.000 0.906 265 G HN 1.571 nan 8.290 nan 0.000 0.416 266 G N -0.357 108.379 108.800 -0.106 0.000 2.331 266 G HA2 0.264 4.224 3.960 -0.000 0.000 0.479 266 G HA3 0.264 4.224 3.960 -0.000 0.000 0.479 266 G C -1.088 173.759 174.900 -0.089 0.000 1.262 266 G CA 0.083 45.129 45.100 -0.090 0.000 1.029 266 G HN 0.639 nan 8.290 nan 0.000 0.487 267 E N -0.289 119.878 120.200 -0.054 0.000 2.283 267 E HA 0.463 4.813 4.350 -0.000 0.000 0.278 267 E C -0.236 176.371 176.600 0.012 0.000 1.027 267 E CA -0.417 55.982 56.400 -0.002 0.000 0.843 267 E CB 0.748 30.468 29.700 0.034 0.000 1.062 267 E HN 0.273 nan 8.360 nan 0.000 0.401 268 F N 4.309 124.347 119.950 0.147 0.000 2.608 268 F HA 0.025 4.552 4.527 0.000 0.000 0.380 268 F C -1.453 174.381 175.800 0.055 0.000 1.083 268 F CA -1.199 56.895 58.000 0.156 0.000 1.266 268 F CB -0.142 38.937 39.000 0.131 0.000 1.076 268 F HN 0.222 nan 8.300 nan 0.000 0.574 269 P HA 0.099 nan 4.420 nan 0.000 0.271 269 P C -0.507 176.876 177.300 0.138 0.000 1.218 269 P CA -0.159 63.009 63.100 0.114 0.000 0.780 269 P CB 1.590 33.339 31.700 0.081 0.000 0.901 270 V N 3.575 123.536 119.914 0.080 0.000 2.837 270 V HA 0.509 4.629 4.120 -0.000 0.000 0.310 270 V C -0.052 176.090 176.094 0.080 0.000 1.059 270 V CA -0.836 61.505 62.300 0.069 0.000 1.004 270 V CB 1.196 33.023 31.823 0.007 0.000 1.045 270 V HN 0.606 nan 8.190 nan 0.000 0.465 271 R N 5.319 125.887 120.500 0.113 0.000 2.513 271 R HA 0.638 4.978 4.340 -0.000 0.000 0.301 271 R C -2.855 173.476 176.300 0.052 0.000 0.968 271 R CA -1.795 54.344 56.100 0.065 0.000 0.872 271 R CB 2.231 32.557 30.300 0.043 0.000 1.177 271 R HN 0.618 nan 8.270 nan 0.000 0.444 272 P HA 0.142 nan 4.420 nan 0.000 0.276 272 P C -1.295 176.000 177.300 -0.009 0.000 1.252 272 P CA -0.438 62.668 63.100 0.009 0.000 0.802 272 P CB 0.673 32.375 31.700 0.002 0.000 1.035 273 D N -0.895 119.501 120.400 -0.006 0.000 2.312 273 D HA 0.231 4.871 4.640 -0.000 0.000 0.248 273 D C -0.174 176.098 176.300 -0.047 0.000 1.086 273 D CA -0.649 53.335 54.000 -0.025 0.000 0.948 273 D CB -0.169 40.628 40.800 -0.004 0.000 1.162 273 D HN 0.258 nan 8.370 nan 0.000 0.446 274 N N -0.629 118.024 118.700 -0.079 0.000 2.783 274 N HA -0.185 4.555 4.740 -0.000 0.000 0.247 274 N C -0.864 174.552 175.510 -0.157 0.000 1.089 274 N CA 0.293 53.279 53.050 -0.107 0.000 0.690 274 N CB -1.163 37.288 38.487 -0.060 0.000 0.991 274 N HN 0.608 nan 8.380 nan 0.000 0.552 275 I N 0.082 120.540 120.570 -0.187 0.000 2.677 275 I HA 0.150 4.320 4.170 -0.000 0.000 0.305 275 I C 0.465 176.386 176.117 -0.326 0.000 0.988 275 I CA -0.528 60.659 61.300 -0.188 0.000 1.260 275 I CB 0.856 38.755 38.000 -0.169 0.000 1.410 275 I HN 0.089 nan 8.210 nan 0.000 0.523 276 H N 4.855 123.909 119.070 -0.027 0.000 2.504 276 H HA 0.282 4.838 4.556 0.000 0.000 0.322 276 H C -0.915 174.443 175.328 0.050 0.000 1.055 276 H CA -0.457 55.609 56.048 0.030 0.000 1.231 276 H CB 0.915 30.721 29.762 0.073 0.000 1.417 276 H HN 0.328 nan 8.280 nan 0.000 0.472 277 F N 3.018 123.089 119.950 0.201 0.000 2.514 277 F HA -0.091 4.436 4.527 -0.000 0.000 0.399 277 F C 0.932 176.834 175.800 0.169 0.000 1.011 277 F CA 0.816 58.919 58.000 0.171 0.000 1.109 277 F CB 0.075 39.209 39.000 0.222 0.000 0.980 277 F HN 0.454 nan 8.300 nan 0.000 0.538 278 E N 2.778 123.179 120.200 0.334 0.000 2.191 278 E HA 0.078 4.428 4.350 -0.000 0.000 0.278 278 E C -0.658 176.097 176.600 0.259 0.000 0.972 278 E CA -0.911 55.650 56.400 0.270 0.000 0.804 278 E CB 1.180 31.003 29.700 0.206 0.000 1.110 278 E HN 0.359 nan 8.360 nan 0.000 0.394 279 D N 1.664 122.220 120.400 0.260 0.000 2.570 279 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 279 D C -0.701 175.728 176.300 0.215 0.000 1.171 279 D CA 0.462 54.599 54.000 0.228 0.000 0.879 279 D CB 0.409 41.364 40.800 0.258 0.000 1.143 279 D HN 0.053 nan 8.370 nan 0.000 0.511 280 V N 3.766 123.741 119.914 0.102 0.000 2.334 280 V HA 0.189 4.309 4.120 -0.000 0.000 0.281 280 V C -0.761 175.335 176.094 0.003 0.000 1.016 280 V CA -1.012 61.318 62.300 0.051 0.000 0.832 280 V CB 1.202 33.037 31.823 0.019 0.000 0.999 280 V HN 0.323 nan 8.190 nan 0.000 0.439 281 D N 5.294 125.732 120.400 0.063 0.000 2.586 281 D HA 0.313 4.953 4.640 -0.000 0.000 0.234 281 D C 1.363 177.654 176.300 -0.016 0.000 1.132 281 D CA 1.545 55.560 54.000 0.024 0.000 0.860 281 D CB 0.818 41.664 40.800 0.077 0.000 1.159 281 D HN 1.256 nan 8.370 nan 0.000 0.490 282 G N 0.605 109.378 108.800 -0.046 0.000 2.253 282 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.251 282 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.251 282 G C 0.900 175.775 174.900 -0.041 0.000 0.998 282 G CA 0.423 45.503 45.100 -0.033 0.000 0.621 282 G HN 0.461 nan 8.290 nan 0.000 0.524 283 V N -0.210 119.668 119.914 -0.059 0.000 2.868 283 V HA 0.798 4.918 4.120 -0.000 0.000 0.227 283 V C 1.139 177.175 176.094 -0.097 0.000 1.136 283 V CA 1.933 64.199 62.300 -0.058 0.000 1.206 283 V CB 0.249 32.047 31.823 -0.042 0.000 0.997 283 V HN 1.988 nan 8.190 nan 0.000 0.505 284 A N -1.953 120.789 122.820 -0.129 0.000 2.522 284 A HA 0.515 4.835 4.320 -0.000 0.000 0.294 284 A C -1.185 176.310 177.584 -0.148 0.000 1.001 284 A CA -0.722 51.213 52.037 -0.169 0.000 0.642 284 A CB 0.169 19.099 19.000 -0.116 0.000 1.326 284 A HN 0.369 nan 8.150 nan 0.000 0.435 285 H N 0.128 119.159 119.070 -0.065 0.000 2.771 285 H HA 0.209 4.765 4.556 -0.000 0.000 0.364 285 H C 1.687 176.939 175.328 -0.127 0.000 1.133 285 H CA 0.984 57.002 56.048 -0.050 0.000 1.423 285 H CB 1.123 30.880 29.762 -0.009 0.000 1.425 285 H HN 0.384 nan 8.280 nan 0.000 0.606 286 V N 1.735 121.687 119.914 0.062 0.000 2.490 286 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 286 V C 2.187 178.133 176.094 -0.246 0.000 1.061 286 V CA 2.157 64.378 62.300 -0.132 0.000 1.064 286 V CB -0.783 31.050 31.823 0.016 0.000 0.670 286 V HN 0.764 nan 8.190 nan 0.000 0.461 287 H N 0.657 119.634 119.070 -0.156 0.000 2.389 287 H HA -0.138 4.418 4.556 0.000 0.000 0.299 287 H C 1.984 177.206 175.328 -0.177 0.000 1.081 287 H CA 1.804 57.764 56.048 -0.146 0.000 1.345 287 H CB -0.171 29.525 29.762 -0.109 0.000 1.393 287 H HN 0.339 nan 8.280 nan 0.000 0.520 288 D N -0.075 120.212 120.400 -0.188 0.000 2.182 288 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 288 D C 2.243 178.339 176.300 -0.340 0.000 0.986 288 D CA 0.913 54.791 54.000 -0.204 0.000 0.847 288 D CB -0.135 40.633 40.800 -0.052 0.000 0.942 288 D HN 0.412 nan 8.370 nan 0.000 0.467 289 L N 0.370 121.283 121.223 -0.517 0.000 2.007 289 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 289 L C 2.375 178.950 176.870 -0.492 0.000 1.073 289 L CA 1.037 55.460 54.840 -0.696 0.000 0.744 289 L CB -0.390 40.746 42.059 -1.538 0.000 0.898 289 L HN -0.002 nan 8.230 nan 0.000 0.435 290 E N 0.417 120.289 120.200 -0.548 0.000 2.082 290 E HA -0.304 4.046 4.350 -0.000 0.000 0.215 290 E C 2.083 178.521 176.600 -0.271 0.000 1.048 290 E CA 2.366 58.582 56.400 -0.307 0.000 0.869 290 E CB -0.293 29.227 29.700 -0.299 0.000 0.773 290 E HN 0.569 nan 8.360 nan 0.000 0.466 291 I N -1.152 119.174 120.570 -0.406 0.000 2.315 291 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 291 I C 2.221 178.228 176.117 -0.183 0.000 1.117 291 I CA 1.323 62.472 61.300 -0.252 0.000 1.404 291 I CB -0.938 36.929 38.000 -0.222 0.000 1.071 291 I HN -0.023 nan 8.210 nan 0.000 0.419 292 T N 1.117 115.557 114.554 -0.191 0.000 2.708 292 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 292 T C 1.817 176.456 174.700 -0.102 0.000 1.037 292 T CA 1.986 63.993 62.100 -0.154 0.000 1.146 292 T CB -0.320 68.456 68.868 -0.153 0.000 0.865 292 T HN 0.523 nan 8.240 nan 0.000 0.435 293 E N 0.652 120.812 120.200 -0.067 0.000 2.130 293 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 293 E C 2.130 178.748 176.600 0.029 0.000 0.998 293 E CA 1.553 57.962 56.400 0.015 0.000 0.806 293 E CB -0.050 29.768 29.700 0.198 0.000 0.738 293 E HN 0.441 nan 8.360 nan 0.000 0.459 294 S N 0.309 116.031 115.700 0.036 0.000 2.357 294 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 294 S C 1.896 176.526 174.600 0.049 0.000 1.031 294 S CA 1.049 59.289 58.200 0.068 0.000 0.982 294 S CB -0.258 62.951 63.200 0.015 0.000 0.853 294 S HN 0.230 nan 8.310 nan 0.000 0.458 295 R N 0.900 121.385 120.500 -0.026 0.000 2.096 295 R HA -0.072 4.268 4.340 -0.000 0.000 0.240 295 R C 2.153 178.492 176.300 0.064 0.000 1.139 295 R CA 1.551 57.627 56.100 -0.040 0.000 0.952 295 R CB -0.613 29.491 30.300 -0.327 0.000 0.854 295 R HN 0.317 nan 8.270 nan 0.000 0.436 296 I N -0.011 120.530 120.570 -0.048 0.000 2.099 296 I HA -0.290 3.880 4.170 -0.000 0.000 0.239 296 I C 2.227 178.209 176.117 -0.226 0.000 1.066 296 I CA 1.683 62.847 61.300 -0.227 0.000 1.324 296 I CB -1.598 36.204 38.000 -0.330 0.000 1.037 296 I HN 0.272 nan 8.210 nan 0.000 0.401 297 H N 0.548 119.536 119.070 -0.136 0.000 2.489 297 H HA -0.146 4.410 4.556 -0.000 0.000 0.295 297 H C 2.112 177.390 175.328 -0.084 0.000 1.082 297 H CA 1.464 57.439 56.048 -0.122 0.000 1.295 297 H CB 0.124 29.831 29.762 -0.090 0.000 1.380 297 H HN 0.516 nan 8.280 nan 0.000 0.548 298 E N -0.563 119.697 120.200 0.100 0.000 2.340 298 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 298 E C 2.115 178.771 176.600 0.092 0.000 0.996 298 E CA 0.438 56.899 56.400 0.102 0.000 0.869 298 E CB 0.306 30.102 29.700 0.161 0.000 0.835 298 E HN 0.362 nan 8.360 nan 0.000 0.493 299 A N 1.189 124.019 122.820 0.016 0.000 1.843 299 A HA -0.069 4.251 4.320 -0.000 0.000 0.213 299 A C 2.056 179.599 177.584 -0.069 0.000 1.202 299 A CA 0.778 52.779 52.037 -0.059 0.000 0.607 299 A CB -0.595 18.275 19.000 -0.218 0.000 0.847 299 A HN 0.257 nan 8.150 nan 0.000 0.445 300 I N 0.236 120.757 120.570 -0.082 0.000 2.248 300 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 300 I C 1.553 177.661 176.117 -0.014 0.000 1.107 300 I CA 1.641 62.924 61.300 -0.029 0.000 1.373 300 I CB -0.356 37.615 38.000 -0.049 0.000 1.055 300 I HN 0.274 nan 8.210 nan 0.000 0.418 301 D N -0.938 119.445 120.400 -0.028 0.000 2.249 301 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 301 D C 2.108 178.329 176.300 -0.132 0.000 0.962 301 D CA 0.876 54.827 54.000 -0.081 0.000 0.860 301 D CB -0.206 40.539 40.800 -0.092 0.000 0.955 301 D HN 0.412 nan 8.370 nan 0.000 0.505 302 H N -0.315 118.618 119.070 -0.227 0.000 2.326 302 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 302 H C 1.613 176.749 175.328 -0.320 0.000 1.081 302 H CA 1.795 57.602 56.048 -0.401 0.000 1.334 302 H CB 0.561 29.674 29.762 -1.083 0.000 1.385 302 H HN 0.333 nan 8.280 nan 0.000 0.504 303 G N -0.592 108.142 108.800 -0.109 0.000 2.421 303 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.188 303 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.188 303 G C -0.446 174.549 174.900 0.157 0.000 1.001 303 G CA 0.110 45.258 45.100 0.080 0.000 0.693 303 G HN 0.495 nan 8.290 nan 0.000 0.479 304 Y N 0.025 120.417 120.300 0.154 0.000 2.553 304 Y HA 0.834 5.384 4.550 -0.000 0.000 0.347 304 Y C -0.269 175.673 175.900 0.070 0.000 1.019 304 Y CA -2.486 55.669 58.100 0.092 0.000 1.032 304 Y CB 0.863 39.367 38.460 0.074 0.000 1.284 304 Y HN 0.127 nan 8.280 nan 0.000 0.466 305 I N 2.432 123.179 120.570 0.295 0.000 2.612 305 I HA 0.430 4.600 4.170 -0.000 0.000 0.295 305 I C 0.110 176.471 176.117 0.406 0.000 1.011 305 I CA -0.567 60.867 61.300 0.224 0.000 1.326 305 I CB 1.899 39.944 38.000 0.075 0.000 1.427 305 I HN 0.876 nan 8.210 nan 0.000 0.537 306 T N 1.223 116.085 114.554 0.513 0.000 2.841 306 T HA 0.383 4.733 4.350 -0.000 0.000 0.285 306 T C -0.472 174.371 174.700 0.239 0.000 0.991 306 T CA -1.013 61.269 62.100 0.303 0.000 0.966 306 T CB 1.289 70.293 68.868 0.226 0.000 0.962 306 T HN 0.612 nan 8.240 nan 0.000 0.438 307 D N 2.930 123.427 120.400 0.160 0.000 2.325 307 D HA 0.178 4.818 4.640 -0.000 0.000 0.262 307 D C 1.294 177.598 176.300 0.006 0.000 1.263 307 D CA -0.329 53.742 54.000 0.117 0.000 1.020 307 D CB -0.110 40.763 40.800 0.121 0.000 1.117 307 D HN 0.431 nan 8.370 nan 0.000 0.545 308 S N -1.350 114.346 115.700 -0.007 0.000 2.522 308 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 308 S C 0.779 175.303 174.600 -0.128 0.000 0.986 308 S CA 0.428 58.591 58.200 -0.062 0.000 0.929 308 S CB -0.209 62.971 63.200 -0.033 0.000 0.769 308 S HN 0.447 nan 8.310 nan 0.000 0.529 309 D N 0.928 121.212 120.400 -0.192 0.000 2.346 309 D HA 0.200 4.840 4.640 -0.000 0.000 0.206 309 D C 1.436 177.477 176.300 -0.431 0.000 1.001 309 D CA 0.858 54.652 54.000 -0.343 0.000 0.871 309 D CB 0.285 40.777 40.800 -0.514 0.000 0.943 309 D HN 0.539 nan 8.370 nan 0.000 0.518 310 G N 1.152 109.759 108.800 -0.321 0.000 2.148 310 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.203 310 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.203 310 G C -0.180 174.587 174.900 -0.223 0.000 0.993 310 G CA -0.468 44.484 45.100 -0.247 0.000 0.661 310 G HN 0.421 nan 8.290 nan 0.000 0.518 311 H N 1.118 120.166 119.070 -0.037 0.000 2.502 311 H HA 0.530 5.086 4.556 0.000 0.000 0.327 311 H C 0.774 176.072 175.328 -0.050 0.000 1.099 311 H CA 0.325 56.345 56.048 -0.048 0.000 1.323 311 H CB 1.223 30.974 29.762 -0.019 0.000 1.450 311 H HN 0.285 nan 8.280 nan 0.000 0.502 312 T N 1.531 116.088 114.554 0.005 0.000 2.799 312 T HA 0.402 4.752 4.350 -0.000 0.000 0.286 312 T C -0.011 174.688 174.700 -0.002 0.000 0.973 312 T CA -1.021 61.006 62.100 -0.121 0.000 1.035 312 T CB 0.273 68.703 68.868 -0.731 0.000 0.932 312 T HN 0.476 nan 8.240 nan 0.000 0.469 313 I N 0.964 121.592 120.570 0.097 0.000 2.330 313 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 313 I C -0.270 175.942 176.117 0.159 0.000 1.001 313 I CA -0.685 60.682 61.300 0.112 0.000 1.193 313 I CB 1.267 39.341 38.000 0.123 0.000 1.345 313 I HN 0.634 nan 8.210 nan 0.000 0.461 314 D N 6.942 127.425 120.400 0.138 0.000 2.389 314 D HA 0.145 4.785 4.640 -0.000 0.000 0.247 314 D C 0.503 176.905 176.300 0.170 0.000 1.128 314 D CA -0.006 54.105 54.000 0.184 0.000 0.884 314 D CB 1.273 42.155 40.800 0.137 0.000 1.194 314 D HN 0.834 nan 8.370 nan 0.000 0.441 315 I N 1.030 121.717 120.570 0.193 0.000 3.817 315 I HA 0.305 4.475 4.170 -0.000 0.000 0.325 315 I C 0.222 176.546 176.117 0.344 0.000 1.550 315 I CA -0.540 60.872 61.300 0.187 0.000 1.100 315 I CB 0.254 38.299 38.000 0.074 0.000 1.216 315 I HN 0.041 nan 8.210 nan 0.000 0.481 316 R N 2.922 123.609 120.500 0.311 0.000 4.048 316 R HA 0.314 4.654 4.340 -0.000 0.000 0.290 316 R C -0.435 175.966 176.300 0.169 0.000 1.519 316 R CA 0.005 56.330 56.100 0.376 0.000 1.446 316 R CB 0.026 30.493 30.300 0.278 0.000 1.455 316 R HN 0.731 nan 8.270 nan 0.000 0.706 317 Q N -2.151 117.758 119.800 0.183 0.000 2.707 317 Q HA 0.432 4.772 4.340 -0.000 0.000 0.307 317 Q C -2.357 173.714 176.000 0.118 0.000 0.934 317 Q CA -1.452 54.376 55.803 0.041 0.000 0.753 317 Q CB 1.391 30.163 28.738 0.057 0.000 1.478 317 Q HN -0.134 nan 8.270 nan 0.000 0.458 318 P HA -0.152 nan 4.420 nan 0.000 0.218 318 P C 0.447 177.835 177.300 0.147 0.000 1.149 318 P CA 1.014 64.188 63.100 0.123 0.000 0.817 318 P CB 0.243 31.989 31.700 0.078 0.000 0.785 319 K N 0.174 120.649 120.400 0.125 0.000 2.555 319 K HA 0.040 4.360 4.320 -0.000 0.000 0.193 319 K C 2.120 178.797 176.600 0.127 0.000 1.032 319 K CA 0.576 56.937 56.287 0.123 0.000 1.004 319 K CB -1.161 31.401 32.500 0.103 0.000 0.804 319 K HN 0.175 nan 8.250 nan 0.000 0.496 320 G N 1.799 110.695 108.800 0.160 0.000 2.672 320 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 320 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 320 G C 1.483 176.379 174.900 -0.007 0.000 1.238 320 G CA 0.898 46.090 45.100 0.152 0.000 0.791 320 G HN 0.410 nan 8.290 nan 0.000 0.606 321 I N 1.286 121.905 120.570 0.082 0.000 2.567 321 I HA -0.111 4.059 4.170 -0.000 0.000 0.257 321 I C 2.708 178.867 176.117 0.069 0.000 1.184 321 I CA 2.069 63.369 61.300 -0.000 0.000 1.451 321 I CB -0.070 37.934 38.000 0.007 0.000 1.089 321 I HN 0.526 nan 8.210 nan 0.000 0.441 322 E N 0.724 120.986 120.200 0.104 0.000 2.086 322 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 322 E C 2.066 178.744 176.600 0.130 0.000 0.975 322 E CA 1.017 57.502 56.400 0.142 0.000 0.813 322 E CB -0.797 28.997 29.700 0.156 0.000 0.768 322 E HN 0.451 nan 8.360 nan 0.000 0.457 323 L N 0.454 121.733 121.223 0.093 0.000 2.013 323 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 323 L C 2.685 179.569 176.870 0.023 0.000 1.073 323 L CA 1.414 56.297 54.840 0.072 0.000 0.753 323 L CB -0.475 41.615 42.059 0.053 0.000 0.890 323 L HN 0.277 nan 8.230 nan 0.000 0.432 324 L N -0.691 120.517 121.223 -0.026 0.000 2.012 324 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 324 L C 2.520 179.438 176.870 0.079 0.000 1.073 324 L CA 1.599 56.399 54.840 -0.066 0.000 0.748 324 L CB -1.056 40.903 42.059 -0.167 0.000 0.891 324 L HN 0.366 nan 8.230 nan 0.000 0.431 325 G N -0.887 108.071 108.800 0.263 0.000 2.509 325 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 325 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 325 G C 1.025 175.949 174.900 0.040 0.000 1.124 325 G CA 0.600 45.870 45.100 0.282 0.000 0.776 325 G HN 0.387 nan 8.290 nan 0.000 0.547 326 D N 0.717 121.158 120.400 0.069 0.000 2.249 326 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 326 D C 2.560 178.875 176.300 0.026 0.000 0.962 326 D CA 0.691 54.733 54.000 0.070 0.000 0.860 326 D CB -0.035 40.874 40.800 0.182 0.000 0.955 326 D HN 0.632 nan 8.370 nan 0.000 0.505 327 I N -2.253 118.307 120.570 -0.018 0.000 3.427 327 I HA 0.104 4.274 4.170 -0.000 0.000 0.288 327 I C 2.056 178.118 176.117 -0.091 0.000 1.249 327 I CA 0.223 61.504 61.300 -0.032 0.000 1.421 327 I CB -0.074 37.861 38.000 -0.108 0.000 1.086 327 I HN -0.211 nan 8.210 nan 0.000 0.448 328 I N 2.122 122.608 120.570 -0.141 0.000 2.406 328 I HA -0.185 3.985 4.170 -0.000 0.000 0.249 328 I C 2.708 178.763 176.117 -0.103 0.000 1.122 328 I CA 1.674 62.873 61.300 -0.169 0.000 1.431 328 I CB -0.074 37.743 38.000 -0.306 0.000 1.087 328 I HN 0.402 nan 8.210 nan 0.000 0.424 329 E N 0.362 120.428 120.200 -0.224 0.000 2.216 329 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 329 E C 0.457 177.048 176.600 -0.017 0.000 0.973 329 E CA 0.604 56.934 56.400 -0.117 0.000 0.851 329 E CB 0.520 29.735 29.700 -0.809 0.000 0.804 329 E HN 0.115 nan 8.360 nan 0.000 0.477 330 S N 0.260 115.926 115.700 -0.057 0.000 3.837 330 S HA -0.115 4.355 4.470 -0.000 0.000 0.627 330 S C -0.321 174.322 174.600 0.071 0.000 0.633 330 S CA 0.265 58.473 58.200 0.013 0.000 1.421 330 S CB -1.452 61.757 63.200 0.014 0.000 0.844 330 S HN 0.657 nan 8.310 nan 0.000 0.880 331 S N 2.838 118.591 115.700 0.089 0.000 2.677 331 S HA 0.633 5.103 4.470 -0.000 0.000 0.290 331 S C 0.753 175.448 174.600 0.158 0.000 1.124 331 S CA -0.840 57.453 58.200 0.154 0.000 1.017 331 S CB 0.701 63.912 63.200 0.018 0.000 1.215 331 S HN 0.459 nan 8.310 nan 0.000 0.524 332 K N -0.014 120.473 120.400 0.145 0.000 2.522 332 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 332 K C -0.014 176.845 176.600 0.432 0.000 1.026 332 K CA 0.284 56.723 56.287 0.253 0.000 1.119 332 K CB -0.345 32.308 32.500 0.255 0.000 0.856 332 K HN 0.571 nan 8.250 nan 0.000 0.513 333 Y N 0.727 121.107 120.300 0.134 0.000 2.457 333 Y HA 0.141 4.691 4.550 -0.000 0.000 0.263 333 Y C 1.084 177.056 175.900 0.120 0.000 1.164 333 Y CA -1.307 56.869 58.100 0.127 0.000 1.274 333 Y CB -0.231 38.304 38.460 0.124 0.000 1.097 333 Y HN -0.143 nan 8.280 nan 0.000 0.523 334 S N 0.625 116.489 115.700 0.274 0.000 2.563 334 S HA -0.024 4.446 4.470 -0.000 0.000 0.294 334 S C 1.392 176.106 174.600 0.189 0.000 1.279 334 S CA 0.423 58.742 58.200 0.199 0.000 1.069 334 S CB 0.517 63.821 63.200 0.172 0.000 0.828 334 S HN 0.475 nan 8.310 nan 0.000 0.497 335 S N 3.604 119.420 115.700 0.192 0.000 2.425 335 S HA 0.078 4.548 4.470 -0.000 0.000 0.225 335 S C 0.810 175.521 174.600 0.184 0.000 1.024 335 S CA 0.048 58.356 58.200 0.181 0.000 0.951 335 S CB -0.094 63.215 63.200 0.182 0.000 0.796 335 S HN 0.724 nan 8.310 nan 0.000 0.498 336 N N 0.932 119.776 118.700 0.241 0.000 2.725 336 N HA 0.215 4.955 4.740 -0.000 0.000 0.248 336 N C -0.082 175.528 175.510 0.166 0.000 1.402 336 N CA -0.093 53.060 53.050 0.172 0.000 0.766 336 N CB 1.350 39.910 38.487 0.122 0.000 1.223 336 N HN 0.057 nan 8.380 nan 0.000 0.515 337 V N 1.813 121.812 119.914 0.140 0.000 3.141 337 V HA -0.059 4.061 4.120 -0.000 0.000 0.265 337 V C 1.967 178.103 176.094 0.071 0.000 1.126 337 V CA 1.603 63.973 62.300 0.116 0.000 1.141 337 V CB -0.209 31.680 31.823 0.110 0.000 0.743 337 V HN 0.620 nan 8.190 nan 0.000 0.492 338 Q N -1.768 118.068 119.800 0.061 0.000 2.432 338 Q HA -0.145 4.195 4.340 -0.000 0.000 0.205 338 Q C 1.738 177.775 176.000 0.062 0.000 0.945 338 Q CA 1.274 57.105 55.803 0.046 0.000 0.924 338 Q CB 0.081 28.838 28.738 0.031 0.000 1.016 338 Q HN 0.793 nan 8.270 nan 0.000 0.503 339 Y N -0.837 119.366 120.300 -0.162 0.000 2.472 339 Y HA 0.047 4.597 4.550 -0.000 0.000 0.288 339 Y C 0.677 176.395 175.900 -0.303 0.000 1.154 339 Y CA 0.439 58.361 58.100 -0.297 0.000 1.238 339 Y CB -0.073 38.120 38.460 -0.445 0.000 1.287 339 Y HN 0.035 nan 8.280 nan 0.000 0.524 340 Y N 1.215 121.426 120.300 -0.149 0.000 2.502 340 Y HA 0.289 4.839 4.550 0.000 0.000 0.295 340 Y C 1.883 177.699 175.900 -0.139 0.000 1.193 340 Y CA 0.098 58.063 58.100 -0.224 0.000 1.295 340 Y CB -0.856 37.511 38.460 -0.155 0.000 1.059 340 Y HN 0.286 nan 8.280 nan 0.000 0.514 341 G N 0.438 109.235 108.800 -0.005 0.000 2.661 341 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.327 341 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.327 341 G C 0.213 175.115 174.900 0.003 0.000 1.320 341 G CA 0.638 45.731 45.100 -0.011 0.000 0.997 341 G HN 0.440 nan 8.290 nan 0.000 0.543 342 S N -0.915 114.770 115.700 -0.025 0.000 2.592 342 S HA 0.421 4.891 4.470 -0.000 0.000 0.151 342 S C 1.028 175.610 174.600 -0.031 0.000 1.280 342 S CA 0.463 58.649 58.200 -0.024 0.000 1.187 342 S CB 0.033 63.212 63.200 -0.035 0.000 1.471 342 S HN 0.788 nan 8.310 nan 0.000 0.409 343 L N 3.194 124.415 121.223 -0.005 0.000 1.944 343 L HA -0.149 4.191 4.340 -0.000 0.000 0.218 343 L C 2.447 179.384 176.870 0.111 0.000 1.075 343 L CA 2.152 57.018 54.840 0.044 0.000 0.767 343 L CB -0.525 41.577 42.059 0.072 0.000 0.890 343 L HN 0.844 nan 8.230 nan 0.000 0.434 344 H N -0.178 118.941 119.070 0.081 0.000 2.267 344 H HA -0.206 4.350 4.556 0.000 0.000 0.297 344 H C 2.018 177.441 175.328 0.160 0.000 1.080 344 H CA 2.262 58.395 56.048 0.142 0.000 1.278 344 H CB 0.085 29.997 29.762 0.250 0.000 1.365 344 H HN 0.406 nan 8.280 nan 0.000 0.489 345 N N 0.051 118.607 118.700 -0.240 0.000 2.000 345 N HA -0.142 4.598 4.740 -0.000 0.000 0.198 345 N C 2.092 177.446 175.510 -0.260 0.000 1.057 345 N CA 2.395 55.259 53.050 -0.310 0.000 0.858 345 N CB -1.173 37.165 38.487 -0.247 0.000 1.057 345 N HN 0.403 nan 8.380 nan 0.000 0.423 346 T N 1.303 115.763 114.554 -0.156 0.000 2.649 346 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 346 T C 1.895 176.524 174.700 -0.119 0.000 1.036 346 T CA 1.934 63.951 62.100 -0.138 0.000 1.157 346 T CB -0.753 68.033 68.868 -0.137 0.000 0.861 346 T HN 0.427 nan 8.240 nan 0.000 0.445 347 A N 1.170 123.958 122.820 -0.053 0.000 2.042 347 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 347 A C 2.115 179.656 177.584 -0.072 0.000 1.167 347 A CA 1.710 53.804 52.037 0.095 0.000 0.649 347 A CB -0.780 18.369 19.000 0.248 0.000 0.809 347 A HN 0.650 nan 8.150 nan 0.000 0.457 348 H N -0.891 117.999 119.070 -0.300 0.000 2.276 348 H HA -0.051 4.505 4.556 -0.000 0.000 0.307 348 H C 2.283 177.378 175.328 -0.389 0.000 1.061 348 H CA 1.966 57.751 56.048 -0.439 0.000 1.336 348 H CB -0.164 29.040 29.762 -0.931 0.000 1.396 348 H HN 0.325 nan 8.280 nan 0.000 0.503 349 V N 0.943 120.687 119.914 -0.283 0.000 2.626 349 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 349 V C 2.534 178.590 176.094 -0.063 0.000 1.067 349 V CA 1.536 63.735 62.300 -0.169 0.000 1.081 349 V CB -0.600 31.149 31.823 -0.123 0.000 0.686 349 V HN 0.229 nan 8.190 nan 0.000 0.468 350 M N -0.301 119.281 119.600 -0.031 0.000 2.159 350 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 350 M C 1.893 178.300 176.300 0.179 0.000 1.063 350 M CA 1.836 57.175 55.300 0.066 0.000 1.110 350 M CB -0.340 32.297 32.600 0.062 0.000 1.374 350 M HN 0.233 nan 8.290 nan 0.000 0.411 351 L N -1.203 120.100 121.223 0.133 0.000 2.341 351 L HA 0.047 4.387 4.340 -0.000 0.000 0.214 351 L C 2.118 178.995 176.870 0.013 0.000 1.115 351 L CA 0.782 55.690 54.840 0.113 0.000 0.820 351 L CB -0.757 41.300 42.059 -0.003 0.000 0.944 351 L HN 0.497 nan 8.230 nan 0.000 0.452 352 G N -0.255 108.540 108.800 -0.009 0.000 2.404 352 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 352 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 352 G C 1.432 176.332 174.900 -0.001 0.000 1.189 352 G CA -0.032 45.059 45.100 -0.015 0.000 0.789 352 G HN 0.185 nan 8.290 nan 0.000 0.533 353 R N 0.697 121.195 120.500 -0.004 0.000 2.323 353 R HA 0.074 4.414 4.340 -0.000 0.000 0.198 353 R C 2.096 178.392 176.300 -0.006 0.000 0.988 353 R CA 0.078 56.173 56.100 -0.009 0.000 1.041 353 R CB -0.219 30.069 30.300 -0.020 0.000 0.926 353 R HN 0.352 nan 8.270 nan 0.000 0.476 354 Q N 0.114 119.917 119.800 0.004 0.000 2.325 354 Q HA -0.125 4.215 4.340 -0.000 0.000 0.211 354 Q C 1.861 177.857 176.000 -0.008 0.000 0.988 354 Q CA 1.729 57.520 55.803 -0.020 0.000 0.887 354 Q CB -0.422 28.260 28.738 -0.093 0.000 0.915 354 Q HN 0.493 nan 8.270 nan 0.000 0.440 355 G N -0.393 108.416 108.800 0.014 0.000 2.551 355 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 355 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 355 G C -0.006 174.946 174.900 0.087 0.000 1.137 355 G CA 0.396 45.523 45.100 0.046 0.000 0.798 355 G HN 0.243 nan 8.290 nan 0.000 0.536 356 D N -1.721 118.696 120.400 0.030 0.000 2.914 356 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 356 D C -2.209 174.008 176.300 -0.139 0.000 1.405 356 D CA -0.903 53.093 54.000 -0.007 0.000 0.900 356 D CB 1.052 41.908 40.800 0.094 0.000 1.518 356 D HN -0.042 nan 8.370 nan 0.000 0.548 357 P HA -0.031 nan 4.420 nan 0.000 0.217 357 P C 0.973 178.031 177.300 -0.403 0.000 1.154 357 P CA 0.901 63.793 63.100 -0.346 0.000 0.841 357 P CB 0.194 31.602 31.700 -0.487 0.000 0.788 358 H N -1.736 117.309 119.070 -0.041 0.000 2.553 358 H HA 0.317 4.873 4.556 0.000 0.000 0.265 358 H C 1.087 176.366 175.328 -0.082 0.000 0.964 358 H CA 0.776 56.788 56.048 -0.060 0.000 1.156 358 H CB -0.609 29.117 29.762 -0.059 0.000 1.411 358 H HN 0.073 nan 8.280 nan 0.000 0.558 359 G N 2.393 111.099 108.800 -0.157 0.000 2.392 359 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.290 359 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.290 359 G C 0.556 175.355 174.900 -0.168 0.000 1.032 359 G CA 0.491 45.521 45.100 -0.117 0.000 1.269 359 G HN 0.498 nan 8.290 nan 0.000 0.511 360 K N -0.347 119.795 120.400 -0.430 0.000 2.352 360 K HA 0.331 4.651 4.320 -0.000 0.000 0.194 360 K C 1.354 177.624 176.600 -0.551 0.000 1.038 360 K CA 0.525 56.475 56.287 -0.561 0.000 1.023 360 K CB 0.296 32.312 32.500 -0.807 0.000 0.840 360 K HN 0.388 nan 8.250 nan 0.000 0.519 361 F N 1.132 121.088 119.950 0.009 0.000 2.717 361 F HA 0.146 4.673 4.527 -0.000 0.000 0.295 361 F C 0.155 175.961 175.800 0.009 0.000 1.117 361 F CA -0.836 57.168 58.000 0.007 0.000 1.361 361 F CB -0.614 38.384 39.000 -0.003 0.000 1.112 361 F HN 0.070 nan 8.300 nan 0.000 0.594 362 N N 0.868 119.658 118.700 0.150 0.000 2.681 362 N HA -0.221 4.519 4.740 -0.000 0.000 0.259 362 N C -1.054 174.517 175.510 0.103 0.000 1.066 362 N CA 0.010 53.128 53.050 0.113 0.000 0.717 362 N CB -1.283 37.265 38.487 0.102 0.000 0.885 362 N HN 0.112 nan 8.380 nan 0.000 0.547 363 L N 1.112 122.383 121.223 0.080 0.000 2.379 363 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 363 L C -1.311 175.495 176.870 -0.108 0.000 1.084 363 L CA -1.625 53.215 54.840 -0.001 0.000 0.802 363 L CB 0.592 42.682 42.059 0.051 0.000 1.175 363 L HN 0.308 nan 8.230 nan 0.000 0.448 364 P HA 0.368 nan 4.420 nan 0.000 0.297 364 P C -2.738 174.226 177.300 -0.561 0.000 1.303 364 P CA -1.501 61.156 63.100 -0.739 0.000 0.753 364 P CB -0.409 30.470 31.700 -1.370 0.000 1.281 365 P HA 0.200 nan 4.420 nan 0.000 0.271 365 P C 0.209 177.514 177.300 0.009 0.000 1.233 365 P CA 0.405 63.285 63.100 -0.366 0.000 0.789 365 P CB 0.009 31.395 31.700 -0.523 0.000 0.951 366 G N -0.746 108.088 108.800 0.058 0.000 3.016 366 G HA2 0.329 4.289 3.960 -0.000 0.000 0.270 366 G HA3 0.329 4.289 3.960 -0.000 0.000 0.270 366 G C 0.935 175.989 174.900 0.257 0.000 1.352 366 G CA -0.359 44.913 45.100 0.287 0.000 1.060 366 G HN 0.431 nan 8.290 nan 0.000 0.538 367 V N -0.584 119.447 119.914 0.195 0.000 2.439 367 V HA -0.196 3.924 4.120 -0.000 0.000 0.253 367 V C 2.274 178.410 176.094 0.070 0.000 1.074 367 V CA 2.918 65.222 62.300 0.007 0.000 1.076 367 V CB -0.478 31.321 31.823 -0.040 0.000 0.664 367 V HN 0.554 nan 8.190 nan 0.000 0.461 368 M N 0.587 120.226 119.600 0.064 0.000 2.595 368 M HA 0.155 4.635 4.480 -0.000 0.000 0.248 368 M C 1.246 177.624 176.300 0.131 0.000 1.119 368 M CA 1.084 56.444 55.300 0.099 0.000 1.079 368 M CB -0.241 32.343 32.600 -0.028 0.000 1.472 368 M HN 0.560 nan 8.290 nan 0.000 0.501 369 E N 0.266 120.448 120.200 -0.029 0.000 2.336 369 E HA 0.119 4.469 4.350 -0.000 0.000 0.214 369 E C -0.871 175.644 176.600 -0.142 0.000 1.144 369 E CA -0.011 56.313 56.400 -0.126 0.000 1.294 369 E CB -0.191 29.386 29.700 -0.204 0.000 1.263 369 E HN 0.428 nan 8.360 nan 0.000 0.439 370 H N -0.535 118.658 119.070 0.205 0.000 3.137 370 H HA 0.054 4.610 4.556 -0.000 0.000 0.336 370 H C 0.028 175.393 175.328 0.062 0.000 1.055 370 H CA -0.831 55.245 56.048 0.048 0.000 1.349 370 H CB 0.455 30.233 29.762 0.027 0.000 1.939 370 H HN 0.010 nan 8.280 nan 0.000 0.487 371 F N 1.490 121.532 119.950 0.152 0.000 2.269 371 F HA -0.136 4.391 4.527 0.000 0.000 0.301 371 F C 2.275 178.019 175.800 -0.094 0.000 1.082 371 F CA 1.108 59.082 58.000 -0.045 0.000 1.360 371 F CB -0.018 38.884 39.000 -0.163 0.000 1.041 371 F HN 0.555 nan 8.300 nan 0.000 0.512 372 E N -1.618 118.608 120.200 0.043 0.000 2.445 372 E HA 0.029 4.379 4.350 -0.000 0.000 0.189 372 E C 0.866 177.194 176.600 -0.454 0.000 1.069 372 E CA 0.600 56.822 56.400 -0.298 0.000 0.871 372 E CB -0.210 29.155 29.700 -0.559 0.000 0.991 372 E HN 0.238 nan 8.360 nan 0.000 0.481 373 T N -0.804 113.653 114.554 -0.163 0.000 3.186 373 T HA 0.337 4.687 4.350 -0.000 0.000 0.292 373 T C 1.176 175.813 174.700 -0.104 0.000 0.915 373 T CA 0.392 62.369 62.100 -0.204 0.000 0.902 373 T CB 0.493 69.192 68.868 -0.282 0.000 1.192 373 T HN 0.250 nan 8.240 nan 0.000 0.563 374 A N 0.465 123.284 122.820 -0.002 0.000 1.898 374 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 374 A C 2.156 179.564 177.584 -0.294 0.000 1.183 374 A CA 1.591 53.645 52.037 0.028 0.000 0.622 374 A CB -0.959 18.271 19.000 0.384 0.000 0.824 374 A HN 0.370 nan 8.150 nan 0.000 0.444 375 T N -0.473 113.723 114.554 -0.597 0.000 3.118 375 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 375 T C 1.873 176.437 174.700 -0.228 0.000 1.166 375 T CA 1.245 62.890 62.100 -0.759 0.000 1.073 375 T CB -0.412 68.098 68.868 -0.597 0.000 0.884 375 T HN 0.404 nan 8.240 nan 0.000 0.550 376 R N 1.763 122.177 120.500 -0.142 0.000 2.096 376 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 376 R C 0.811 177.132 176.300 0.034 0.000 1.134 376 R CA 1.199 57.329 56.100 0.050 0.000 0.917 376 R CB -0.498 29.865 30.300 0.104 0.000 0.832 376 R HN 0.301 nan 8.270 nan 0.000 0.430 377 D N -0.021 120.175 120.400 -0.339 0.000 2.383 377 D HA 0.021 4.661 4.640 -0.000 0.000 0.252 377 D C -1.697 174.215 176.300 -0.647 0.000 1.166 377 D CA -1.691 51.571 54.000 -1.230 0.000 0.879 377 D CB 1.149 41.514 40.800 -0.726 0.000 1.164 377 D HN -0.032 nan 8.370 nan 0.000 0.462 378 P HA -0.170 nan 4.420 nan 0.000 0.218 378 P C 0.935 178.138 177.300 -0.161 0.000 1.148 378 P CA 1.057 64.037 63.100 -0.199 0.000 0.822 378 P CB -0.171 31.469 31.700 -0.100 0.000 0.784 379 S N -1.966 113.580 115.700 -0.257 0.000 2.595 379 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 379 S C 1.599 176.040 174.600 -0.265 0.000 0.974 379 S CA -0.134 57.935 58.200 -0.218 0.000 0.942 379 S CB -1.656 61.399 63.200 -0.241 0.000 0.766 379 S HN 0.018 nan 8.310 nan 0.000 0.536 380 F N 2.512 122.241 119.950 -0.370 0.000 2.069 380 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 380 F C 1.429 176.945 175.800 -0.474 0.000 1.113 380 F CA 1.097 58.795 58.000 -0.504 0.000 1.214 380 F CB -0.623 37.992 39.000 -0.643 0.000 0.978 380 F HN 0.236 nan 8.300 nan 0.000 0.474 381 F N 0.052 119.870 119.950 -0.219 0.000 2.456 381 F HA 0.076 4.603 4.527 0.000 0.000 0.298 381 F C 2.476 178.202 175.800 -0.124 0.000 1.104 381 F CA 0.828 58.692 58.000 -0.227 0.000 1.435 381 F CB -0.778 37.924 39.000 -0.498 0.000 1.078 381 F HN -0.162 nan 8.300 nan 0.000 0.546 382 R N 0.244 120.725 120.500 -0.032 0.000 2.062 382 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 382 R C 2.170 178.359 176.300 -0.185 0.000 1.136 382 R CA 1.239 57.288 56.100 -0.085 0.000 0.948 382 R CB -0.745 29.484 30.300 -0.119 0.000 0.845 382 R HN 0.251 nan 8.270 nan 0.000 0.430 383 L N -0.090 120.943 121.223 -0.317 0.000 2.201 383 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 383 L C 1.209 177.887 176.870 -0.319 0.000 1.105 383 L CA 1.944 56.541 54.840 -0.405 0.000 0.775 383 L CB -0.254 41.491 42.059 -0.523 0.000 0.913 383 L HN 0.220 nan 8.230 nan 0.000 0.440 384 H N -1.590 117.296 119.070 -0.307 0.000 2.551 384 H HA 0.072 4.628 4.556 -0.000 0.000 0.266 384 H C 1.958 177.312 175.328 0.042 0.000 0.964 384 H CA 0.772 56.727 56.048 -0.154 0.000 1.180 384 H CB 0.149 29.760 29.762 -0.252 0.000 1.408 384 H HN 0.260 nan 8.280 nan 0.000 0.563 385 K N 0.279 120.763 120.400 0.140 0.000 1.975 385 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 385 K C 1.913 178.608 176.600 0.159 0.000 1.041 385 K CA 1.235 57.625 56.287 0.172 0.000 0.942 385 K CB -0.613 31.973 32.500 0.143 0.000 0.729 385 K HN 0.221 nan 8.250 nan 0.000 0.439 386 Y N 1.046 121.307 120.300 -0.066 0.000 2.030 386 Y HA -0.367 4.183 4.550 0.000 0.000 0.272 386 Y C 1.911 177.778 175.900 -0.054 0.000 1.185 386 Y CA 2.663 60.704 58.100 -0.099 0.000 1.120 386 Y CB -0.356 37.969 38.460 -0.225 0.000 0.955 386 Y HN 0.106 nan 8.280 nan 0.000 0.495 387 M N -0.113 119.518 119.600 0.052 0.000 2.149 387 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 387 M C 1.847 178.208 176.300 0.101 0.000 1.064 387 M CA 2.043 57.295 55.300 -0.080 0.000 1.102 387 M CB -0.583 32.065 32.600 0.079 0.000 1.369 387 M HN 0.361 nan 8.290 nan 0.000 0.408 388 D N 1.053 121.606 120.400 0.255 0.000 2.087 388 D HA -0.158 4.482 4.640 -0.000 0.000 0.192 388 D C 1.019 177.533 176.300 0.355 0.000 0.993 388 D CA 1.523 55.790 54.000 0.445 0.000 0.828 388 D CB -0.243 40.826 40.800 0.448 0.000 0.968 388 D HN 0.443 nan 8.370 nan 0.000 0.448 389 N N -0.271 118.515 118.700 0.143 0.000 2.575 389 N HA -0.019 4.721 4.740 -0.000 0.000 0.192 389 N C 0.953 176.403 175.510 -0.100 0.000 1.200 389 N CA -0.111 52.945 53.050 0.009 0.000 0.897 389 N CB 0.346 38.809 38.487 -0.041 0.000 0.990 389 N HN 0.262 nan 8.380 nan 0.000 0.449 390 I N -0.386 120.063 120.570 -0.202 0.000 2.585 390 I HA -0.052 4.118 4.170 -0.000 0.000 0.254 390 I C 1.320 177.261 176.117 -0.293 0.000 1.129 390 I CA 0.902 61.959 61.300 -0.404 0.000 1.455 390 I CB -0.903 36.684 38.000 -0.689 0.000 1.111 390 I HN 0.089 nan 8.210 nan 0.000 0.433 391 F N 1.456 121.339 119.950 -0.112 0.000 2.149 391 F HA -0.020 4.507 4.527 0.000 0.000 0.294 391 F C 2.547 178.241 175.800 -0.176 0.000 1.095 391 F CA 1.011 58.932 58.000 -0.130 0.000 1.276 391 F CB -0.687 38.248 39.000 -0.108 0.000 1.023 391 F HN -0.074 nan 8.300 nan 0.000 0.480 392 K N 0.867 121.287 120.400 0.034 0.000 2.218 392 K HA -0.212 4.108 4.320 -0.000 0.000 0.205 392 K C 1.959 178.334 176.600 -0.375 0.000 1.046 392 K CA 1.221 57.266 56.287 -0.403 0.000 0.933 392 K CB -0.072 31.995 32.500 -0.722 0.000 0.728 392 K HN 0.179 nan 8.250 nan 0.000 0.454 393 K N -0.748 119.513 120.400 -0.231 0.000 2.152 393 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 393 K C 2.012 178.467 176.600 -0.241 0.000 1.048 393 K CA 1.712 57.876 56.287 -0.204 0.000 0.933 393 K CB -0.198 32.243 32.500 -0.098 0.000 0.721 393 K HN 0.368 nan 8.250 nan 0.000 0.447 394 H N 0.007 118.897 119.070 -0.301 0.000 2.399 394 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 394 H C 1.987 176.983 175.328 -0.552 0.000 1.048 394 H CA 1.552 57.379 56.048 -0.368 0.000 1.370 394 H CB 0.071 29.676 29.762 -0.262 0.000 1.428 394 H HN -0.078 nan 8.280 nan 0.000 0.534 395 T N 0.137 114.431 114.554 -0.434 0.000 2.652 395 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 395 T C 1.277 175.647 174.700 -0.550 0.000 1.039 395 T CA 1.833 63.673 62.100 -0.432 0.000 1.153 395 T CB -0.424 68.299 68.868 -0.241 0.000 0.863 395 T HN 0.385 nan 8.240 nan 0.000 0.428 396 D N 0.664 120.762 120.400 -0.503 0.000 2.350 396 D HA -0.019 4.621 4.640 -0.000 0.000 0.216 396 D C 2.133 178.177 176.300 -0.426 0.000 0.968 396 D CA 0.615 54.361 54.000 -0.424 0.000 0.894 396 D CB -0.288 40.273 40.800 -0.400 0.000 0.909 396 D HN 0.464 nan 8.370 nan 0.000 0.520 397 S N -0.553 114.810 115.700 -0.562 0.000 2.603 397 S HA -0.036 4.434 4.470 -0.000 0.000 0.229 397 S C 0.470 174.923 174.600 -0.245 0.000 0.972 397 S CA -0.271 57.670 58.200 -0.430 0.000 0.935 397 S CB -0.398 62.498 63.200 -0.508 0.000 0.769 397 S HN -0.116 nan 8.310 nan 0.000 0.536 398 F N 3.433 123.236 119.950 -0.245 0.000 2.384 398 F HA 0.535 5.062 4.527 0.000 0.000 0.338 398 F C -1.900 173.778 175.800 -0.203 0.000 1.103 398 F CA -3.493 54.377 58.000 -0.218 0.000 1.157 398 F CB 0.066 38.928 39.000 -0.230 0.000 1.167 398 F HN 0.016 nan 8.300 nan 0.000 0.529 399 P HA 0.125 nan 4.420 nan 0.000 0.269 399 P C -2.667 174.571 177.300 -0.104 0.000 1.215 399 P CA -0.972 62.114 63.100 -0.023 0.000 0.780 399 P CB 0.043 31.726 31.700 -0.029 0.000 0.898 400 P HA 0.067 nan 4.420 nan 0.000 0.271 400 P C -0.673 176.570 177.300 -0.094 0.000 1.233 400 P CA 0.456 63.489 63.100 -0.110 0.000 0.789 400 P CB 0.079 31.756 31.700 -0.038 0.000 0.951 401 Y N -0.428 119.875 120.300 0.006 0.000 2.308 401 Y HA 0.270 4.820 4.550 -0.000 0.000 0.329 401 Y C 1.592 177.501 175.900 0.015 0.000 1.111 401 Y CA -0.276 57.827 58.100 0.005 0.000 1.179 401 Y CB 0.104 38.548 38.460 -0.027 0.000 1.201 401 Y HN 0.303 nan 8.280 nan 0.000 0.483 402 T N -1.000 113.675 114.554 0.202 0.000 2.698 402 T HA -0.016 4.334 4.350 -0.000 0.000 0.295 402 T C 1.381 176.169 174.700 0.146 0.000 1.007 402 T CA 0.003 62.194 62.100 0.150 0.000 0.980 402 T CB 0.511 69.459 68.868 0.133 0.000 1.036 402 T HN 0.850 nan 8.240 nan 0.000 0.526 403 H N 0.434 119.546 119.070 0.070 0.000 2.270 403 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 403 H C 1.573 176.934 175.328 0.055 0.000 1.077 403 H CA 2.419 58.502 56.048 0.059 0.000 1.294 403 H CB -0.686 29.105 29.762 0.048 0.000 1.371 403 H HN 0.748 nan 8.280 nan 0.000 0.491 404 D N 0.316 120.866 120.400 0.250 0.000 2.280 404 D HA -0.166 4.474 4.640 -0.000 0.000 0.206 404 D C 1.773 178.099 176.300 0.043 0.000 0.988 404 D CA 0.815 54.916 54.000 0.169 0.000 0.886 404 D CB -0.221 40.678 40.800 0.165 0.000 0.914 404 D HN 0.598 nan 8.370 nan 0.000 0.473 405 N N -0.013 118.708 118.700 0.036 0.000 2.080 405 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 405 N C 2.028 177.485 175.510 -0.087 0.000 1.036 405 N CA 0.506 53.566 53.050 0.015 0.000 0.846 405 N CB 0.104 38.663 38.487 0.120 0.000 1.015 405 N HN 0.089 nan 8.380 nan 0.000 0.423 406 L N 0.816 121.952 121.223 -0.144 0.000 2.156 406 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 406 L C 0.539 177.352 176.870 -0.096 0.000 1.095 406 L CA 0.467 55.214 54.840 -0.155 0.000 0.770 406 L CB -0.501 41.455 42.059 -0.171 0.000 0.914 406 L HN 0.175 nan 8.230 nan 0.000 0.439 407 E N 0.772 120.886 120.200 -0.142 0.000 2.558 407 E HA -0.152 4.198 4.350 -0.000 0.000 0.255 407 E C -0.376 176.289 176.600 0.109 0.000 0.968 407 E CA 0.311 56.685 56.400 -0.043 0.000 0.939 407 E CB 0.109 29.762 29.700 -0.079 0.000 0.921 407 E HN -0.019 nan 8.360 nan 0.000 0.477 408 F N 4.457 124.376 119.950 -0.052 0.000 2.848 408 F HA 0.219 4.746 4.527 0.000 0.000 0.321 408 F C 0.055 175.840 175.800 -0.025 0.000 1.281 408 F CA -0.991 56.983 58.000 -0.043 0.000 1.209 408 F CB -0.415 38.547 39.000 -0.064 0.000 1.152 408 F HN 0.303 nan 8.300 nan 0.000 0.521 409 S N 1.458 117.216 115.700 0.097 0.000 3.116 409 S HA 0.300 4.770 4.470 -0.000 0.000 0.367 409 S C 1.259 175.768 174.600 -0.151 0.000 1.202 409 S CA 1.409 59.605 58.200 -0.006 0.000 1.018 409 S CB -0.380 62.852 63.200 0.054 0.000 0.726 409 S HN 1.460 nan 8.310 nan 0.000 0.506 410 G N 5.102 113.822 108.800 -0.134 0.000 5.064 410 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.277 410 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.277 410 G C 0.127 174.882 174.900 -0.241 0.000 1.580 410 G CA 0.013 45.014 45.100 -0.166 0.000 1.109 410 G HN 0.981 nan 8.290 nan 0.000 0.695 411 M N 1.448 120.776 119.600 -0.454 0.000 2.274 411 M HA 0.399 4.879 4.480 -0.000 0.000 0.377 411 M C 0.397 176.593 176.300 -0.174 0.000 1.428 411 M CA 1.050 56.109 55.300 -0.401 0.000 0.907 411 M CB 0.642 32.760 32.600 -0.804 0.000 1.974 411 M HN 1.355 nan 8.290 nan 0.000 0.479 412 V N 5.985 125.852 119.914 -0.077 0.000 2.569 412 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 412 V C -0.778 175.328 176.094 0.020 0.000 1.044 412 V CA -0.958 61.332 62.300 -0.016 0.000 0.874 412 V CB 1.810 33.622 31.823 -0.018 0.000 1.002 412 V HN 0.514 nan 8.190 nan 0.000 0.424 413 V N 7.304 127.242 119.914 0.041 0.000 2.585 413 V HA 0.235 4.355 4.120 -0.000 0.000 0.296 413 V C 1.307 177.425 176.094 0.040 0.000 1.035 413 V CA 0.197 62.534 62.300 0.061 0.000 1.084 413 V CB 0.483 32.350 31.823 0.075 0.000 0.953 413 V HN 0.989 nan 8.190 nan 0.000 0.483 414 N N 2.914 121.641 118.700 0.045 0.000 2.436 414 N HA 0.155 4.895 4.740 -0.000 0.000 0.178 414 N C 0.635 176.161 175.510 0.026 0.000 1.026 414 N CA 0.979 54.046 53.050 0.028 0.000 0.880 414 N CB 0.867 39.369 38.487 0.025 0.000 1.061 414 N HN 0.773 nan 8.380 nan 0.000 0.434 415 G N 0.325 109.149 108.800 0.039 0.000 2.704 415 G HA2 0.473 4.433 3.960 -0.000 0.000 0.293 415 G HA3 0.473 4.433 3.960 -0.000 0.000 0.293 415 G C -1.846 173.086 174.900 0.053 0.000 1.421 415 G CA -0.370 44.749 45.100 0.032 0.000 0.870 415 G HN 0.012 nan 8.290 nan 0.000 0.492 416 V N -0.473 119.471 119.914 0.049 0.000 2.623 416 V HA 0.908 5.028 4.120 -0.000 0.000 0.304 416 V C -0.539 175.607 176.094 0.087 0.000 1.054 416 V CA -0.111 62.239 62.300 0.082 0.000 0.882 416 V CB 1.169 33.044 31.823 0.088 0.000 1.002 416 V HN 1.935 nan 8.190 nan 0.000 0.424 417 A N 6.669 129.561 122.820 0.120 0.000 2.356 417 A HA 0.888 5.208 4.320 -0.000 0.000 0.310 417 A C -1.234 176.449 177.584 0.165 0.000 1.075 417 A CA -0.554 51.556 52.037 0.122 0.000 0.746 417 A CB 1.456 20.513 19.000 0.095 0.000 1.221 417 A HN 0.886 nan 8.150 nan 0.000 0.443 418 I N 1.920 122.563 120.570 0.122 0.000 2.307 418 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 418 I C -0.220 175.928 176.117 0.051 0.000 1.021 418 I CA -0.623 60.730 61.300 0.088 0.000 1.224 418 I CB 1.181 39.208 38.000 0.045 0.000 1.376 418 I HN 0.685 nan 8.210 nan 0.000 0.470 419 D N 5.497 125.926 120.400 0.048 0.000 2.631 419 D HA 0.570 5.210 4.640 -0.000 0.000 0.227 419 D C 0.399 176.724 176.300 0.042 0.000 1.146 419 D CA 0.444 54.465 54.000 0.035 0.000 1.009 419 D CB -0.077 40.738 40.800 0.025 0.000 1.057 419 D HN 0.749 nan 8.370 nan 0.000 0.509 420 G N 1.391 110.217 108.800 0.042 0.000 2.334 420 G HA2 0.028 3.988 3.960 -0.000 0.000 0.249 420 G HA3 0.028 3.988 3.960 -0.000 0.000 0.249 420 G C -1.494 173.424 174.900 0.030 0.000 1.327 420 G CA -0.863 44.270 45.100 0.055 0.000 0.979 420 G HN 0.121 nan 8.290 nan 0.000 0.471 421 E N 0.432 120.649 120.200 0.028 0.000 2.241 421 E HA 0.378 4.728 4.350 -0.000 0.000 0.263 421 E C -0.296 176.243 176.600 -0.101 0.000 0.882 421 E CA -0.666 55.716 56.400 -0.030 0.000 0.769 421 E CB 2.093 31.785 29.700 -0.013 0.000 1.185 421 E HN 0.492 nan 8.360 nan 0.000 0.415 422 L N 4.397 125.504 121.223 -0.192 0.000 2.698 422 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 422 L C 0.324 177.091 176.870 -0.170 0.000 1.154 422 L CA 0.581 55.235 54.840 -0.310 0.000 0.964 422 L CB -0.200 41.647 42.059 -0.354 0.000 1.272 422 L HN 0.440 nan 8.230 nan 0.000 0.483 423 I N 3.773 124.284 120.570 -0.098 0.000 2.571 423 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 423 I C -0.109 175.983 176.117 -0.041 0.000 1.115 423 I CA -0.047 61.191 61.300 -0.105 0.000 1.045 423 I CB 2.223 40.104 38.000 -0.197 0.000 1.238 423 I HN 0.513 nan 8.210 nan 0.000 0.424 424 T N 4.298 118.812 114.554 -0.067 0.000 2.856 424 T HA 0.785 5.135 4.350 -0.000 0.000 0.283 424 T C -0.542 174.233 174.700 0.126 0.000 1.008 424 T CA -0.433 61.594 62.100 -0.121 0.000 0.997 424 T CB 1.381 70.106 68.868 -0.237 0.000 0.992 424 T HN 0.538 nan 8.240 nan 0.000 0.454 425 F N -0.214 119.730 119.950 -0.011 0.000 2.980 425 F HA 0.882 5.409 4.527 -0.000 0.000 0.335 425 F C -1.797 173.947 175.800 -0.093 0.000 1.210 425 F CA -2.275 55.733 58.000 0.013 0.000 0.986 425 F CB 0.919 39.945 39.000 0.044 0.000 1.469 425 F HN 0.421 nan 8.300 nan 0.000 0.519 426 F N 1.882 122.150 119.950 0.530 0.000 2.430 426 F HA 0.376 4.903 4.527 0.000 0.000 0.362 426 F C 0.256 176.290 175.800 0.391 0.000 1.103 426 F CA -0.919 57.278 58.000 0.327 0.000 1.045 426 F CB 0.267 39.346 39.000 0.132 0.000 1.276 426 F HN 0.435 nan 8.300 nan 0.000 0.444 427 D N 1.833 122.624 120.400 0.652 0.000 2.273 427 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 427 D C -0.352 176.217 176.300 0.447 0.000 1.313 427 D CA 0.529 54.834 54.000 0.507 0.000 0.974 427 D CB 0.521 41.571 40.800 0.417 0.000 1.157 427 D HN 0.541 nan 8.370 nan 0.000 0.533 428 E N -0.793 119.610 120.200 0.339 0.000 2.321 428 E HA 0.337 4.687 4.350 -0.000 0.000 0.281 428 E C -1.686 175.061 176.600 0.245 0.000 0.910 428 E CA -0.536 56.013 56.400 0.248 0.000 0.770 428 E CB 1.493 31.270 29.700 0.128 0.000 1.225 428 E HN 0.200 nan 8.360 nan 0.000 0.417 429 F N 2.008 121.989 119.950 0.052 0.000 2.588 429 F HA 0.450 4.977 4.527 -0.000 0.000 0.314 429 F C -1.161 174.651 175.800 0.020 0.000 1.069 429 F CA -0.344 57.685 58.000 0.050 0.000 0.931 429 F CB 2.070 41.111 39.000 0.067 0.000 1.260 429 F HN 0.334 nan 8.300 nan 0.000 0.465 430 Q N 4.385 123.842 119.800 -0.573 0.000 2.292 430 Q HA 0.343 4.683 4.340 -0.000 0.000 0.270 430 Q C -1.739 174.130 176.000 -0.219 0.000 1.024 430 Q CA -0.849 54.784 55.803 -0.282 0.000 0.768 430 Q CB 2.137 30.718 28.738 -0.262 0.000 1.250 430 Q HN 0.667 nan 8.270 nan 0.000 0.447 431 Y N -0.242 120.060 120.300 0.003 0.000 2.650 431 Y HA 0.826 5.376 4.550 -0.000 0.000 0.331 431 Y C -0.551 175.418 175.900 0.114 0.000 1.082 431 Y CA -1.243 56.942 58.100 0.142 0.000 1.171 431 Y CB 1.474 40.160 38.460 0.376 0.000 1.326 431 Y HN 0.369 nan 8.280 nan 0.000 0.513 432 S N 0.856 116.692 115.700 0.226 0.000 2.503 432 S HA 0.408 4.878 4.470 -0.000 0.000 0.301 432 S C -0.033 174.675 174.600 0.179 0.000 1.087 432 S CA -0.904 57.350 58.200 0.090 0.000 1.042 432 S CB 0.795 64.055 63.200 0.100 0.000 1.043 432 S HN 0.856 nan 8.310 nan 0.000 0.489 433 L N 4.493 125.763 121.223 0.079 0.000 2.675 433 L HA 0.147 4.487 4.340 -0.000 0.000 0.239 433 L C 1.418 178.381 176.870 0.154 0.000 1.151 433 L CA 0.296 55.203 54.840 0.112 0.000 0.905 433 L CB -0.526 41.574 42.059 0.069 0.000 1.057 433 L HN 0.760 nan 8.230 nan 0.000 0.435 434 I N 0.006 120.679 120.570 0.173 0.000 2.252 434 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 434 I C 1.763 178.019 176.117 0.232 0.000 1.102 434 I CA 1.181 62.592 61.300 0.185 0.000 1.385 434 I CB -0.026 38.071 38.000 0.163 0.000 1.064 434 I HN 0.303 nan 8.210 nan 0.000 0.414 435 N N 0.701 119.571 118.700 0.283 0.000 2.573 435 N HA -0.051 4.689 4.740 -0.000 0.000 0.187 435 N C 1.639 177.399 175.510 0.417 0.000 1.107 435 N CA 0.875 54.139 53.050 0.358 0.000 0.918 435 N CB -0.100 38.612 38.487 0.374 0.000 0.966 435 N HN 0.337 nan 8.380 nan 0.000 0.448 436 A N 0.122 123.118 122.820 0.293 0.000 1.873 436 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 436 A C 0.980 178.730 177.584 0.277 0.000 1.186 436 A CA 1.057 53.235 52.037 0.234 0.000 0.616 436 A CB -0.642 18.396 19.000 0.063 0.000 0.823 436 A HN 0.142 nan 8.150 nan 0.000 0.442 437 V N -0.022 120.038 119.914 0.243 0.000 2.509 437 V HA 0.526 4.646 4.120 -0.000 0.000 0.284 437 V C -1.218 174.931 176.094 0.091 0.000 1.047 437 V CA -0.900 61.496 62.300 0.159 0.000 0.952 437 V CB 0.977 32.922 31.823 0.203 0.000 0.988 437 V HN 0.466 nan 8.190 nan 0.000 0.469 438 D N 3.561 123.954 120.400 -0.013 0.000 2.277 438 D HA 0.419 5.059 4.640 -0.000 0.000 0.249 438 D C 0.673 176.996 176.300 0.038 0.000 1.134 438 D CA -0.188 53.836 54.000 0.041 0.000 0.863 438 D CB 1.870 42.694 40.800 0.040 0.000 1.143 438 D HN 0.492 nan 8.370 nan 0.000 0.458 439 S N 2.263 118.004 115.700 0.068 0.000 2.294 439 S HA 0.485 4.955 4.470 -0.000 0.000 0.182 439 S C 1.347 175.972 174.600 0.041 0.000 1.053 439 S CA 1.005 59.239 58.200 0.057 0.000 1.161 439 S CB -0.426 62.812 63.200 0.063 0.000 0.890 439 S HN 0.905 nan 8.310 nan 0.000 0.448 440 G N 0.342 109.166 108.800 0.040 0.000 2.650 440 G HA2 0.059 4.019 3.960 -0.000 0.000 0.193 440 G HA3 0.059 4.019 3.960 -0.000 0.000 0.193 440 G C -1.298 173.610 174.900 0.014 0.000 2.403 440 G CA 0.193 45.309 45.100 0.027 0.000 1.493 440 G HN 0.955 nan 8.290 nan 0.000 0.459 441 E N 0.637 120.841 120.200 0.006 0.000 4.101 441 E HA 0.185 4.535 4.350 -0.000 0.000 0.390 441 E C -0.402 176.195 176.600 -0.005 0.000 1.063 441 E CA -0.187 56.211 56.400 -0.003 0.000 0.740 441 E CB -0.616 29.084 29.700 -0.001 0.000 1.257 441 E HN 1.221 nan 8.360 nan 0.000 0.535 442 N N 0.559 119.252 118.700 -0.011 0.000 2.710 442 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 442 N C -0.577 174.930 175.510 -0.005 0.000 1.059 442 N CA 1.005 54.048 53.050 -0.011 0.000 0.720 442 N CB -1.456 37.025 38.487 -0.011 0.000 0.983 442 N HN 0.581 nan 8.380 nan 0.000 0.544 443 I N 0.161 120.729 120.570 -0.002 0.000 2.436 443 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 443 I C -0.158 175.962 176.117 0.004 0.000 1.010 443 I CA -1.361 59.941 61.300 0.005 0.000 1.098 443 I CB 1.694 39.700 38.000 0.010 0.000 1.266 443 I HN 0.229 nan 8.210 nan 0.000 0.434 444 E N 6.275 126.478 120.200 0.005 0.000 2.156 444 E HA 0.220 4.570 4.350 -0.000 0.000 0.279 444 E C -0.906 175.702 176.600 0.014 0.000 0.965 444 E CA -0.653 55.750 56.400 0.004 0.000 0.789 444 E CB 0.823 30.522 29.700 -0.001 0.000 1.098 444 E HN 0.418 nan 8.360 nan 0.000 0.397 445 D N 3.256 123.665 120.400 0.015 0.000 2.520 445 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 445 D C -0.861 175.454 176.300 0.025 0.000 1.160 445 D CA 0.413 54.429 54.000 0.026 0.000 0.877 445 D CB 1.119 41.933 40.800 0.023 0.000 1.150 445 D HN 0.274 nan 8.370 nan 0.000 0.494 446 V N 3.788 123.723 119.914 0.035 0.000 2.435 446 V HA 0.220 4.340 4.120 -0.000 0.000 0.290 446 V C -0.267 175.846 176.094 0.033 0.000 1.030 446 V CA -0.735 61.583 62.300 0.030 0.000 0.881 446 V CB 1.797 33.644 31.823 0.040 0.000 0.983 446 V HN 0.482 nan 8.190 nan 0.000 0.445 447 E N 7.141 127.350 120.200 0.015 0.000 2.081 447 E HA 0.367 4.717 4.350 -0.000 0.000 0.281 447 E C -1.087 175.506 176.600 -0.012 0.000 0.986 447 E CA -0.533 55.874 56.400 0.013 0.000 0.796 447 E CB 1.019 30.719 29.700 0.001 0.000 1.085 447 E HN 0.766 nan 8.360 nan 0.000 0.398 448 I N 4.161 124.740 120.570 0.015 0.000 2.385 448 I HA 0.299 4.469 4.170 -0.000 0.000 0.294 448 I C 0.382 176.475 176.117 -0.041 0.000 0.988 448 I CA -0.547 60.752 61.300 -0.002 0.000 1.265 448 I CB 1.286 39.362 38.000 0.128 0.000 1.388 448 I HN 0.467 nan 8.210 nan 0.000 0.480 449 N N 3.092 121.703 118.700 -0.149 0.000 2.312 449 N HA 0.772 5.512 4.740 -0.000 0.000 0.296 449 N C -1.215 174.182 175.510 -0.187 0.000 1.193 449 N CA -0.809 52.147 53.050 -0.157 0.000 0.773 449 N CB 2.289 40.664 38.487 -0.187 0.000 1.435 449 N HN 0.643 nan 8.380 nan 0.000 0.484 450 A N 1.121 123.746 122.820 -0.324 0.000 2.330 450 A HA 0.528 4.848 4.320 -0.000 0.000 0.327 450 A C -0.575 176.816 177.584 -0.321 0.000 1.155 450 A CA -0.489 51.325 52.037 -0.371 0.000 0.803 450 A CB 0.831 19.467 19.000 -0.607 0.000 1.208 450 A HN 0.732 nan 8.150 nan 0.000 0.477 451 R N 2.022 122.419 120.500 -0.173 0.000 2.360 451 R HA 0.588 4.928 4.340 -0.000 0.000 0.318 451 R C -0.864 175.394 176.300 -0.070 0.000 0.950 451 R CA -0.371 55.656 56.100 -0.122 0.000 0.837 451 R CB 1.194 31.406 30.300 -0.147 0.000 1.165 451 R HN 0.820 nan 8.270 nan 0.000 0.458 452 V N 0.738 120.685 119.914 0.055 0.000 2.994 452 V HA 0.508 4.628 4.120 -0.000 0.000 0.318 452 V C -0.754 175.387 176.094 0.079 0.000 1.085 452 V CA -0.761 61.575 62.300 0.059 0.000 0.998 452 V CB 1.816 33.746 31.823 0.179 0.000 1.063 452 V HN 0.886 nan 8.190 nan 0.000 0.447 453 H N 2.983 122.039 119.070 -0.023 0.000 2.690 453 H HA 0.535 5.091 4.556 -0.000 0.000 0.280 453 H C 0.112 175.494 175.328 0.090 0.000 1.138 453 H CA -0.752 55.280 56.048 -0.027 0.000 1.241 453 H CB 0.607 30.201 29.762 -0.279 0.000 1.394 453 H HN 0.755 nan 8.280 nan 0.000 0.489 454 R N 2.816 123.545 120.500 0.382 0.000 2.856 454 R HA 0.405 4.745 4.340 -0.000 0.000 0.258 454 R C -0.883 175.799 176.300 0.636 0.000 1.066 454 R CA -1.123 55.241 56.100 0.439 0.000 1.045 454 R CB 1.484 31.900 30.300 0.194 0.000 1.178 454 R HN 0.231 nan 8.270 nan 0.000 0.499 455 L N 0.318 121.847 121.223 0.509 0.000 2.466 455 L HA 0.352 4.692 4.340 -0.000 0.000 0.257 455 L C -0.610 176.203 176.870 -0.094 0.000 1.189 455 L CA 0.283 55.153 54.840 0.049 0.000 0.813 455 L CB 0.657 42.650 42.059 -0.110 0.000 1.118 455 L HN 0.942 nan 8.230 nan 0.000 0.471 456 N N -1.207 117.244 118.700 -0.415 0.000 3.043 456 N HA 0.396 5.136 4.740 -0.000 0.000 0.243 456 N C -1.853 173.043 175.510 -1.024 0.000 1.347 456 N CA -0.619 52.023 53.050 -0.681 0.000 0.896 456 N CB 0.810 38.870 38.487 -0.711 0.000 1.501 456 N HN 0.842 nan 8.380 nan 0.000 0.504 457 H N -0.627 117.976 119.070 -0.780 0.000 3.043 457 H HA 0.665 5.221 4.556 -0.000 0.000 0.302 457 H C -1.392 173.822 175.328 -0.191 0.000 1.506 457 H CA -0.739 55.031 56.048 -0.462 0.000 1.282 457 H CB 0.798 30.437 29.762 -0.205 0.000 1.914 457 H HN 0.308 nan 8.280 nan 0.000 0.625 458 N N -0.209 118.647 118.700 0.260 0.000 2.319 458 N HA 0.175 4.915 4.740 -0.000 0.000 0.305 458 N C -1.209 174.528 175.510 0.377 0.000 1.103 458 N CA -0.880 52.325 53.050 0.258 0.000 0.815 458 N CB 1.778 40.419 38.487 0.257 0.000 1.288 458 N HN 0.781 nan 8.380 nan 0.000 0.493 459 E N 0.945 121.258 120.200 0.187 0.000 2.390 459 E HA 0.368 4.718 4.350 -0.000 0.000 0.261 459 E C -0.933 175.770 176.600 0.171 0.000 1.076 459 E CA -0.105 56.367 56.400 0.121 0.000 0.905 459 E CB 0.378 30.066 29.700 -0.020 0.000 0.984 459 E HN 0.412 nan 8.360 nan 0.000 0.427 460 F N -1.379 118.531 119.950 -0.067 0.000 2.668 460 F HA 0.559 5.086 4.527 -0.000 0.000 0.309 460 F C -0.622 175.047 175.800 -0.218 0.000 1.117 460 F CA -1.064 56.861 58.000 -0.126 0.000 0.951 460 F CB 1.628 40.515 39.000 -0.187 0.000 1.323 460 F HN 0.521 nan 8.300 nan 0.000 0.451 461 T N -0.942 113.581 114.554 -0.053 0.000 2.930 461 T HA 0.633 4.983 4.350 -0.000 0.000 0.290 461 T C -1.691 172.911 174.700 -0.164 0.000 1.052 461 T CA -0.526 61.444 62.100 -0.217 0.000 1.017 461 T CB 1.138 69.914 68.868 -0.152 0.000 1.137 461 T HN 0.501 nan 8.240 nan 0.000 0.511 462 Y N 1.718 122.050 120.300 0.054 0.000 2.336 462 Y HA 0.483 5.033 4.550 -0.000 0.000 0.335 462 Y C 0.826 176.752 175.900 0.045 0.000 1.046 462 Y CA -0.540 57.611 58.100 0.085 0.000 1.198 462 Y CB 0.951 39.466 38.460 0.092 0.000 1.182 462 Y HN 0.481 nan 8.280 nan 0.000 0.502 463 K N 5.104 125.635 120.400 0.218 0.000 2.572 463 K HA 0.433 4.753 4.320 -0.000 0.000 0.244 463 K C -1.068 175.616 176.600 0.140 0.000 0.965 463 K CA -0.301 56.060 56.287 0.124 0.000 0.943 463 K CB 1.358 33.904 32.500 0.076 0.000 1.154 463 K HN 0.593 nan 8.250 nan 0.000 0.447 464 I N 3.792 124.438 120.570 0.127 0.000 2.287 464 I HA 0.077 4.247 4.170 -0.000 0.000 0.290 464 I C -0.036 176.140 176.117 0.099 0.000 1.069 464 I CA -0.262 61.111 61.300 0.121 0.000 1.237 464 I CB 1.028 39.097 38.000 0.114 0.000 1.418 464 I HN 0.507 nan 8.210 nan 0.000 0.481 465 T N 7.466 122.072 114.554 0.087 0.000 2.794 465 T HA 0.628 4.978 4.350 -0.000 0.000 0.296 465 T C -0.173 174.574 174.700 0.079 0.000 0.949 465 T CA -0.530 61.613 62.100 0.070 0.000 1.101 465 T CB 0.738 69.638 68.868 0.053 0.000 0.905 465 T HN 0.643 nan 8.240 nan 0.000 0.516 466 M N -0.188 119.459 119.600 0.077 0.000 2.389 466 M HA 0.434 4.914 4.480 -0.000 0.000 0.287 466 M C -1.253 175.084 176.300 0.061 0.000 1.063 466 M CA -0.871 54.475 55.300 0.077 0.000 0.913 466 M CB 1.145 33.818 32.600 0.122 0.000 1.883 466 M HN 0.298 nan 8.290 nan 0.000 0.508 467 S N 2.013 117.732 115.700 0.030 0.000 2.537 467 S HA 0.404 4.874 4.470 -0.000 0.000 0.275 467 S C -0.275 174.308 174.600 -0.027 0.000 1.272 467 S CA -0.653 57.551 58.200 0.007 0.000 1.050 467 S CB 0.896 64.094 63.200 -0.003 0.000 0.961 467 S HN 0.749 nan 8.310 nan 0.000 0.496 468 N N 1.900 120.580 118.700 -0.033 0.000 2.555 468 N HA 0.143 4.883 4.740 -0.000 0.000 0.244 468 N C 0.233 175.698 175.510 -0.076 0.000 1.114 468 N CA -0.370 52.630 53.050 -0.083 0.000 0.963 468 N CB -0.512 37.938 38.487 -0.061 0.000 1.276 468 N HN 0.603 nan 8.380 nan 0.000 0.510 469 N N 1.626 120.274 118.700 -0.087 0.000 2.453 469 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 469 N C 0.009 175.483 175.510 -0.060 0.000 1.041 469 N CA 0.239 53.255 53.050 -0.057 0.000 0.900 469 N CB -0.021 38.440 38.487 -0.043 0.000 0.961 469 N HN 0.499 nan 8.380 nan 0.000 0.443 470 N N 1.888 120.536 118.700 -0.086 0.000 2.239 470 N HA -0.102 4.638 4.740 -0.000 0.000 0.225 470 N C 0.667 176.154 175.510 -0.038 0.000 1.283 470 N CA 0.295 53.305 53.050 -0.066 0.000 0.868 470 N CB 0.362 38.795 38.487 -0.090 0.000 1.098 470 N HN 0.257 nan 8.380 nan 0.000 0.436 471 D N 0.480 120.864 120.400 -0.026 0.000 2.174 471 D HA -0.169 4.471 4.640 -0.000 0.000 0.215 471 D C 1.688 177.981 176.300 -0.011 0.000 1.021 471 D CA 1.658 55.650 54.000 -0.014 0.000 0.910 471 D CB -1.262 39.533 40.800 -0.009 0.000 1.142 471 D HN 0.521 nan 8.370 nan 0.000 0.473 472 G N 0.289 109.085 108.800 -0.006 0.000 2.955 472 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.210 472 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.210 472 G C 1.314 176.219 174.900 0.007 0.000 1.364 472 G CA 2.403 47.504 45.100 0.001 0.000 0.788 472 G HN 0.706 nan 8.290 nan 0.000 0.715 473 E N -3.350 116.858 120.200 0.013 0.000 3.182 473 E HA 0.222 4.572 4.350 -0.000 0.000 0.283 473 E C -0.241 176.387 176.600 0.047 0.000 1.167 473 E CA -0.340 56.077 56.400 0.028 0.000 2.016 473 E CB 0.120 29.839 29.700 0.032 0.000 2.094 473 E HN 0.240 nan 8.360 nan 0.000 1.000 474 R N 1.171 121.712 120.500 0.069 0.000 1.383 474 R HA -0.081 4.259 4.340 -0.000 0.000 0.410 474 R C -0.959 175.461 176.300 0.201 0.000 1.316 474 R CA 0.622 56.804 56.100 0.138 0.000 1.123 474 R CB -0.883 29.477 30.300 0.100 0.000 3.323 474 R HN 0.384 nan 8.270 nan 0.000 0.492 475 L N 1.820 123.156 121.223 0.187 0.000 2.475 475 L HA 0.695 5.035 4.340 -0.000 0.000 0.253 475 L C 0.280 177.285 176.870 0.226 0.000 1.198 475 L CA 0.143 55.082 54.840 0.164 0.000 0.814 475 L CB 1.092 43.183 42.059 0.054 0.000 1.134 475 L HN 0.830 nan 8.230 nan 0.000 0.478 476 A N 0.642 123.572 122.820 0.184 0.000 2.455 476 A HA 0.603 4.923 4.320 -0.000 0.000 0.300 476 A C -0.779 176.750 177.584 -0.092 0.000 1.040 476 A CA -0.498 51.553 52.037 0.023 0.000 0.697 476 A CB 1.527 20.558 19.000 0.052 0.000 1.265 476 A HN 0.603 nan 8.150 nan 0.000 0.407 477 T N 1.517 115.917 114.554 -0.256 0.000 2.744 477 T HA 0.476 4.826 4.350 -0.000 0.000 0.291 477 T C -0.585 173.804 174.700 -0.519 0.000 0.957 477 T CA 0.100 62.094 62.100 -0.177 0.000 1.002 477 T CB -0.097 68.740 68.868 -0.052 0.000 0.919 477 T HN 0.311 nan 8.240 nan 0.000 0.468 478 F N 3.522 123.149 119.950 -0.538 0.000 2.509 478 F HA 0.241 4.768 4.527 -0.000 0.000 0.350 478 F C 1.404 176.848 175.800 -0.593 0.000 1.220 478 F CA -0.592 56.979 58.000 -0.714 0.000 1.151 478 F CB 0.097 38.229 39.000 -1.448 0.000 1.379 478 F HN 0.225 nan 8.300 nan 0.000 0.610 479 R N 5.019 125.336 120.500 -0.304 0.000 2.196 479 R HA 0.475 4.815 4.340 -0.000 0.000 0.340 479 R C -0.637 175.450 176.300 -0.356 0.000 1.043 479 R CA -0.234 55.686 56.100 -0.300 0.000 0.883 479 R CB 0.880 31.141 30.300 -0.064 0.000 1.078 479 R HN 0.536 nan 8.270 nan 0.000 0.462 480 I N 4.591 124.852 120.570 -0.515 0.000 2.410 480 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 480 I C -0.560 175.304 176.117 -0.422 0.000 1.009 480 I CA -0.685 60.398 61.300 -0.360 0.000 1.111 480 I CB 0.973 38.805 38.000 -0.280 0.000 1.262 480 I HN 0.306 nan 8.210 nan 0.000 0.443 481 F N 6.006 126.038 119.950 0.137 0.000 2.440 481 F HA 0.570 5.097 4.527 -0.000 0.000 0.328 481 F C -0.083 175.823 175.800 0.177 0.000 1.070 481 F CA -0.973 57.118 58.000 0.151 0.000 1.011 481 F CB 1.443 40.530 39.000 0.145 0.000 1.226 481 F HN 0.264 nan 8.300 nan 0.000 0.491 482 L N 2.918 124.333 121.223 0.321 0.000 2.442 482 L HA 0.563 4.903 4.340 -0.000 0.000 0.261 482 L C -1.207 175.838 176.870 0.291 0.000 1.000 482 L CA -0.107 54.863 54.840 0.217 0.000 0.882 482 L CB 0.293 42.341 42.059 -0.018 0.000 1.207 482 L HN 0.686 nan 8.230 nan 0.000 0.443 483 c N 4.750 123.556 118.600 0.342 0.000 2.362 483 c HA 0.699 5.269 4.570 -0.000 0.000 0.363 483 c C -1.900 172.429 174.090 0.399 0.000 1.220 483 c CA -0.815 55.696 56.329 0.304 0.000 2.379 483 c CB 1.028 43.650 42.510 0.187 0.000 2.351 483 c HN 0.644 nan 8.230 nan 0.000 0.582 484 P HA 0.490 nan 4.420 nan 0.000 0.284 484 P C -0.158 177.246 177.300 0.173 0.000 1.292 484 P CA -0.089 63.176 63.100 0.275 0.000 0.800 484 P CB 1.417 33.067 31.700 -0.083 0.000 1.188 485 I N -1.679 118.957 120.570 0.110 0.000 3.878 485 I HA 0.157 4.327 4.170 -0.000 0.000 0.273 485 I C 0.869 177.009 176.117 0.038 0.000 1.165 485 I CA 0.232 61.575 61.300 0.072 0.000 1.360 485 I CB 0.328 38.363 38.000 0.058 0.000 1.539 485 I HN 0.271 nan 8.210 nan 0.000 0.447 486 E N 0.968 121.174 120.200 0.010 0.000 2.249 486 E HA 0.141 4.491 4.350 -0.000 0.000 0.263 486 E C -0.345 176.245 176.600 -0.017 0.000 0.950 486 E CA -0.535 55.868 56.400 0.005 0.000 0.827 486 E CB 1.882 31.585 29.700 0.005 0.000 1.220 486 E HN 0.043 nan 8.360 nan 0.000 0.411 487 D N 0.596 120.993 120.400 -0.005 0.000 2.137 487 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 487 D C 0.210 176.502 176.300 -0.013 0.000 0.970 487 D CA 0.954 54.951 54.000 -0.005 0.000 0.837 487 D CB 0.165 40.979 40.800 0.024 0.000 0.981 487 D HN 0.620 nan 8.370 nan 0.000 0.475 488 N N -0.315 118.395 118.700 0.016 0.000 3.148 488 N HA -0.140 4.600 4.740 -0.000 0.000 0.247 488 N C -0.560 174.982 175.510 0.054 0.000 1.124 488 N CA 0.623 53.706 53.050 0.056 0.000 0.685 488 N CB -1.534 36.972 38.487 0.033 0.000 1.075 488 N HN 0.100 nan 8.380 nan 0.000 0.565 489 N N -0.700 118.026 118.700 0.044 0.000 1.976 489 N HA 0.233 4.973 4.740 -0.000 0.000 0.273 489 N C 0.839 176.367 175.510 0.030 0.000 1.228 489 N CA 1.076 54.145 53.050 0.033 0.000 0.762 489 N CB 0.206 38.710 38.487 0.028 0.000 1.535 489 N HN 0.867 nan 8.380 nan 0.000 0.577 490 G N 1.457 110.277 108.800 0.033 0.000 2.134 490 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 490 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 490 G C 0.767 175.682 174.900 0.024 0.000 0.993 490 G CA 0.371 45.489 45.100 0.030 0.000 0.669 490 G HN 0.289 nan 8.290 nan 0.000 0.519 491 I N 0.655 121.240 120.570 0.025 0.000 2.916 491 I HA 0.092 4.262 4.170 -0.000 0.000 0.267 491 I C 1.545 177.679 176.117 0.028 0.000 1.263 491 I CA 1.141 62.457 61.300 0.026 0.000 1.471 491 I CB -0.200 37.815 38.000 0.025 0.000 1.089 491 I HN 0.652 nan 8.210 nan 0.000 0.468 492 T N 1.900 116.472 114.554 0.030 0.000 2.702 492 T HA -0.095 4.255 4.350 -0.000 0.000 0.487 492 T C -0.055 174.671 174.700 0.043 0.000 0.797 492 T CA -0.272 61.849 62.100 0.035 0.000 2.578 492 T CB -1.478 67.410 68.868 0.033 0.000 1.695 492 T HN 0.252 nan 8.240 nan 0.000 0.564 493 L N 2.965 124.221 121.223 0.055 0.000 2.482 493 L HA 0.817 5.157 4.340 -0.000 0.000 0.242 493 L C 1.642 178.546 176.870 0.058 0.000 1.210 493 L CA 0.253 55.133 54.840 0.066 0.000 0.819 493 L CB -0.099 42.025 42.059 0.108 0.000 1.203 493 L HN 0.634 nan 8.230 nan 0.000 0.495 494 T N -2.345 112.239 114.554 0.050 0.000 3.313 494 T HA 0.389 4.739 4.350 -0.000 0.000 0.263 494 T C 0.517 175.229 174.700 0.020 0.000 0.983 494 T CA -0.350 61.771 62.100 0.035 0.000 0.963 494 T CB -0.706 68.176 68.868 0.023 0.000 1.141 494 T HN 0.643 nan 8.240 nan 0.000 0.526 495 L N 0.545 121.776 121.223 0.014 0.000 3.851 495 L HA -0.283 4.057 4.340 -0.000 0.000 0.438 495 L C 0.212 177.063 176.870 -0.032 0.000 1.171 495 L CA 1.766 56.584 54.840 -0.037 0.000 0.895 495 L CB -0.913 41.105 42.059 -0.068 0.000 1.800 495 L HN 0.642 nan 8.230 nan 0.000 0.960 496 D N -2.460 117.929 120.400 -0.019 0.000 2.278 496 D HA 0.015 4.655 4.640 -0.000 0.000 0.228 496 D C 1.325 177.598 176.300 -0.045 0.000 1.364 496 D CA 0.743 54.719 54.000 -0.039 0.000 1.345 496 D CB -0.009 40.765 40.800 -0.044 0.000 1.961 496 D HN 0.491 nan 8.370 nan 0.000 0.396 497 E N 0.368 120.559 120.200 -0.014 0.000 2.152 497 E HA 0.091 4.441 4.350 -0.000 0.000 0.192 497 E C 1.488 178.118 176.600 0.050 0.000 0.983 497 E CA 1.130 57.526 56.400 -0.007 0.000 0.818 497 E CB 0.165 29.892 29.700 0.046 0.000 0.758 497 E HN 0.248 nan 8.360 nan 0.000 0.467 498 A N 1.398 124.288 122.820 0.117 0.000 2.303 498 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 498 A C 1.914 179.569 177.584 0.119 0.000 1.205 498 A CA -0.047 52.124 52.037 0.224 0.000 0.875 498 A CB -0.173 18.926 19.000 0.164 0.000 0.910 498 A HN 0.151 nan 8.150 nan 0.000 0.501 499 R N -1.183 119.334 120.500 0.028 0.000 2.083 499 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 499 R C 2.026 178.383 176.300 0.095 0.000 1.137 499 R CA 1.458 57.547 56.100 -0.017 0.000 0.951 499 R CB -0.643 29.638 30.300 -0.032 0.000 0.851 499 R HN 0.663 nan 8.270 nan 0.000 0.434 500 W N 0.456 121.711 121.300 -0.075 0.000 2.800 500 W HA 0.010 4.670 4.660 -0.000 0.000 0.249 500 W C 0.416 176.980 176.519 0.075 0.000 1.294 500 W CA 0.040 57.383 57.345 -0.004 0.000 1.402 500 W CB 0.181 29.568 29.460 -0.121 0.000 1.126 500 W HN 0.079 nan 8.180 nan 0.000 0.652 501 F N 0.714 120.689 119.950 0.042 0.000 2.664 501 F HA 0.090 4.617 4.527 -0.000 0.000 0.296 501 F C 1.258 176.921 175.800 -0.229 0.000 1.125 501 F CA -0.461 57.455 58.000 -0.140 0.000 1.444 501 F CB -1.070 37.847 39.000 -0.138 0.000 1.114 501 F HN -0.352 nan 8.300 nan 0.000 0.576 502 c N 3.078 121.737 118.600 0.098 0.000 2.632 502 c HA 0.374 4.944 4.570 -0.000 0.000 0.415 502 c C 0.803 174.915 174.090 0.037 0.000 1.332 502 c CA -1.222 55.179 56.329 0.120 0.000 1.874 502 c CB -1.553 41.005 42.510 0.080 0.000 2.596 502 c HN 0.274 nan 8.230 nan 0.000 0.590 503 I N 0.099 120.745 120.570 0.127 0.000 2.385 503 I HA 0.485 4.655 4.170 -0.000 0.000 0.294 503 I C 0.072 176.288 176.117 0.164 0.000 0.988 503 I CA -0.297 61.022 61.300 0.031 0.000 1.265 503 I CB 0.781 38.799 38.000 0.029 0.000 1.388 503 I HN 0.651 nan 8.210 nan 0.000 0.480 504 E N 3.639 123.925 120.200 0.143 0.000 2.360 504 E HA 0.106 4.456 4.350 -0.000 0.000 0.269 504 E C -0.035 176.581 176.600 0.026 0.000 1.022 504 E CA -0.339 56.160 56.400 0.165 0.000 0.887 504 E CB 1.334 31.189 29.700 0.259 0.000 0.990 504 E HN 0.752 nan 8.360 nan 0.000 0.426 505 L N 3.567 124.766 121.223 -0.039 0.000 2.470 505 L HA 0.281 4.621 4.340 -0.000 0.000 0.219 505 L C -0.322 176.562 176.870 0.023 0.000 1.071 505 L CA 0.799 55.643 54.840 0.006 0.000 0.850 505 L CB 0.587 42.668 42.059 0.037 0.000 1.040 505 L HN 0.615 nan 8.230 nan 0.000 0.475 506 D N -1.039 119.340 120.400 -0.036 0.000 2.926 506 D HA 0.220 4.860 4.640 -0.000 0.000 0.272 506 D C -1.686 174.568 176.300 -0.077 0.000 1.172 506 D CA -0.513 53.501 54.000 0.023 0.000 0.731 506 D CB 0.951 41.833 40.800 0.136 0.000 1.282 506 D HN -0.166 nan 8.370 nan 0.000 0.430 507 K N 2.185 122.563 120.400 -0.036 0.000 2.635 507 K HA 0.421 4.741 4.320 -0.000 0.000 0.266 507 K C -1.802 174.712 176.600 -0.144 0.000 1.033 507 K CA -0.595 55.577 56.287 -0.192 0.000 0.919 507 K CB 0.499 32.869 32.500 -0.216 0.000 1.289 507 K HN 0.331 nan 8.250 nan 0.000 0.463 508 F N 1.394 121.202 119.950 -0.237 0.000 2.613 508 F HA 0.666 5.193 4.527 -0.000 0.000 0.310 508 F C -1.683 174.019 175.800 -0.164 0.000 1.085 508 F CA -1.335 56.508 58.000 -0.261 0.000 0.945 508 F CB 0.851 39.793 39.000 -0.097 0.000 1.298 508 F HN 0.102 nan 8.300 nan 0.000 0.455 509 F N 1.818 121.938 119.950 0.284 0.000 2.385 509 F HA 0.633 5.160 4.527 -0.000 0.000 0.360 509 F C -0.060 175.920 175.800 0.301 0.000 1.122 509 F CA -0.564 57.561 58.000 0.208 0.000 1.090 509 F CB 1.539 40.584 39.000 0.074 0.000 1.150 509 F HN 0.616 nan 8.300 nan 0.000 0.472 510 Q N 2.942 123.061 119.800 0.532 0.000 2.347 510 Q HA 0.476 4.816 4.340 -0.000 0.000 0.271 510 Q C -1.227 174.990 176.000 0.363 0.000 1.064 510 Q CA -0.910 55.139 55.803 0.410 0.000 0.800 510 Q CB 1.892 30.881 28.738 0.418 0.000 1.304 510 Q HN 0.564 nan 8.270 nan 0.000 0.438 511 K N 1.186 121.729 120.400 0.238 0.000 2.144 511 K HA 0.505 4.825 4.320 -0.000 0.000 0.270 511 K C -0.835 175.886 176.600 0.201 0.000 1.005 511 K CA -0.790 55.616 56.287 0.199 0.000 0.932 511 K CB 1.375 33.950 32.500 0.125 0.000 1.021 511 K HN 0.260 nan 8.250 nan 0.000 0.462 512 V N 4.167 124.196 119.914 0.191 0.000 2.481 512 V HA 0.271 4.391 4.120 -0.000 0.000 0.286 512 V C -1.760 174.386 176.094 0.088 0.000 1.042 512 V CA -1.848 60.545 62.300 0.155 0.000 0.928 512 V CB 1.422 33.351 31.823 0.176 0.000 0.986 512 V HN 0.805 nan 8.190 nan 0.000 0.462 513 P HA 0.147 nan 4.420 nan 0.000 0.279 513 P C 0.556 177.872 177.300 0.026 0.000 1.276 513 P CA -0.305 62.821 63.100 0.044 0.000 0.801 513 P CB 1.222 32.949 31.700 0.045 0.000 1.127 514 S N -0.777 114.932 115.700 0.015 0.000 2.561 514 S HA 0.165 4.635 4.470 -0.000 0.000 0.225 514 S C 1.018 175.617 174.600 -0.001 0.000 0.977 514 S CA 0.713 58.914 58.200 0.001 0.000 0.926 514 S CB -0.905 62.294 63.200 -0.002 0.000 0.769 514 S HN 0.716 nan 8.310 nan 0.000 0.533 515 G N 1.214 110.018 108.800 0.007 0.000 3.085 515 G HA2 0.574 4.534 3.960 -0.000 0.000 0.264 515 G HA3 0.574 4.534 3.960 -0.000 0.000 0.264 515 G C -3.166 171.742 174.900 0.013 0.000 1.206 515 G CA -1.409 43.693 45.100 0.003 0.000 0.809 515 G HN 0.150 nan 8.290 nan 0.000 0.592 516 P HA 0.095 nan 4.420 nan 0.000 0.257 516 P C -0.435 176.881 177.300 0.027 0.000 1.189 516 P CA 0.878 63.991 63.100 0.021 0.000 0.780 516 P CB 1.002 32.711 31.700 0.016 0.000 0.772 517 E N 1.714 121.937 120.200 0.038 0.000 2.259 517 E HA 0.490 4.840 4.350 -0.000 0.000 0.257 517 E C -0.478 176.148 176.600 0.042 0.000 0.998 517 E CA -0.650 55.775 56.400 0.042 0.000 0.866 517 E CB 1.550 31.284 29.700 0.058 0.000 1.220 517 E HN 0.167 nan 8.360 nan 0.000 0.415 518 T N 1.622 116.196 114.554 0.034 0.000 3.223 518 T HA 0.294 4.644 4.350 -0.000 0.000 0.334 518 T C -0.288 174.422 174.700 0.018 0.000 0.940 518 T CA -0.427 61.693 62.100 0.033 0.000 1.272 518 T CB -0.225 68.661 68.868 0.031 0.000 0.982 518 T HN 0.258 nan 8.240 nan 0.000 0.512 519 I N 1.399 121.973 120.570 0.008 0.000 2.575 519 I HA 0.492 4.662 4.170 -0.000 0.000 0.285 519 I C 0.513 176.627 176.117 -0.004 0.000 1.085 519 I CA -0.441 60.838 61.300 -0.035 0.000 1.403 519 I CB 0.810 38.726 38.000 -0.139 0.000 1.409 519 I HN 0.424 nan 8.210 nan 0.000 0.557 520 E N 6.287 126.470 120.200 -0.028 0.000 2.272 520 E HA 0.539 4.889 4.350 -0.000 0.000 0.269 520 E C -1.403 175.161 176.600 -0.060 0.000 0.877 520 E CA -0.864 55.534 56.400 -0.003 0.000 0.755 520 E CB 2.755 32.450 29.700 -0.008 0.000 1.192 520 E HN 0.669 nan 8.360 nan 0.000 0.422 521 R N 2.072 122.563 120.500 -0.014 0.000 2.668 521 R HA 0.383 4.723 4.340 -0.000 0.000 0.272 521 R C -1.598 174.634 176.300 -0.114 0.000 1.019 521 R CA -0.498 55.533 56.100 -0.115 0.000 0.894 521 R CB 2.263 32.458 30.300 -0.175 0.000 1.228 521 R HN 0.447 nan 8.270 nan 0.000 0.460 522 S N 0.384 115.965 115.700 -0.200 0.000 2.549 522 S HA 0.141 4.611 4.470 -0.000 0.000 0.297 522 S C 1.185 175.572 174.600 -0.355 0.000 1.115 522 S CA 0.063 58.090 58.200 -0.290 0.000 1.059 522 S CB 1.671 64.736 63.200 -0.226 0.000 1.046 522 S HN 0.761 nan 8.310 nan 0.000 0.506 523 S N 3.767 119.059 115.700 -0.681 0.000 2.429 523 S HA -0.296 4.174 4.470 -0.000 0.000 0.251 523 S C 1.522 175.957 174.600 -0.274 0.000 1.104 523 S CA 2.422 60.165 58.200 -0.761 0.000 1.130 523 S CB -0.620 62.193 63.200 -0.646 0.000 1.000 523 S HN 0.813 nan 8.310 nan 0.000 0.449 524 K N 0.506 120.779 120.400 -0.211 0.000 2.062 524 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 524 K C 1.442 177.974 176.600 -0.115 0.000 1.051 524 K CA 1.333 57.547 56.287 -0.122 0.000 0.941 524 K CB -0.206 32.232 32.500 -0.104 0.000 0.719 524 K HN 0.467 nan 8.250 nan 0.000 0.440 525 D N 1.224 121.534 120.400 -0.149 0.000 2.338 525 D HA -0.026 4.614 4.640 -0.000 0.000 0.239 525 D C 0.245 176.484 176.300 -0.102 0.000 1.095 525 D CA 0.304 54.220 54.000 -0.140 0.000 0.888 525 D CB 0.048 40.727 40.800 -0.202 0.000 0.899 525 D HN -0.020 nan 8.370 nan 0.000 0.525 526 S N 0.457 116.117 115.700 -0.065 0.000 2.559 526 S HA -0.024 4.446 4.470 -0.000 0.000 0.282 526 S C 1.571 176.176 174.600 0.009 0.000 1.336 526 S CA 0.017 58.215 58.200 -0.004 0.000 1.037 526 S CB 0.869 64.076 63.200 0.012 0.000 0.853 526 S HN 0.270 nan 8.310 nan 0.000 0.523 527 S N 2.383 118.109 115.700 0.044 0.000 2.528 527 S HA -0.011 4.459 4.470 -0.000 0.000 0.219 527 S C 1.209 175.841 174.600 0.052 0.000 0.985 527 S CA 0.479 58.707 58.200 0.047 0.000 0.914 527 S CB -0.212 63.021 63.200 0.055 0.000 0.776 527 S HN 1.082 nan 8.310 nan 0.000 0.526 528 V N -0.822 119.115 119.914 0.040 0.000 3.444 528 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 528 V C 0.014 176.098 176.094 -0.017 0.000 1.371 528 V CA -0.100 62.218 62.300 0.031 0.000 1.141 528 V CB -0.669 31.170 31.823 0.028 0.000 1.037 528 V HN 0.341 nan 8.190 nan 0.000 0.433 529 T N 0.338 114.886 114.554 -0.010 0.000 2.908 529 T HA 0.777 5.127 4.350 -0.000 0.000 0.290 529 T C -0.827 173.863 174.700 -0.016 0.000 1.034 529 T CA -0.374 61.714 62.100 -0.021 0.000 1.010 529 T CB 2.466 71.332 68.868 -0.004 0.000 1.068 529 T HN 0.090 nan 8.240 nan 0.000 0.481 530 V N 3.975 123.884 119.914 -0.009 0.000 2.888 530 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 530 V C -2.296 173.822 176.094 0.039 0.000 1.114 530 V CA -1.907 60.401 62.300 0.013 0.000 0.940 530 V CB 2.756 34.597 31.823 0.030 0.000 1.021 530 V HN 0.718 nan 8.190 nan 0.000 0.426 531 P HA 0.350 nan 4.420 nan 0.000 0.281 531 P C -1.271 176.128 177.300 0.165 0.000 1.264 531 P CA -0.477 62.691 63.100 0.114 0.000 0.824 531 P CB 0.975 32.767 31.700 0.154 0.000 1.092 532 D N 1.046 121.539 120.400 0.156 0.000 2.362 532 D HA 0.218 4.858 4.640 -0.000 0.000 0.238 532 D C 0.507 176.924 176.300 0.196 0.000 1.212 532 D CA 0.346 54.451 54.000 0.175 0.000 0.902 532 D CB -0.141 40.792 40.800 0.221 0.000 1.180 532 D HN 0.233 nan 8.370 nan 0.000 0.445 533 M N 0.403 120.097 119.600 0.156 0.000 2.573 533 M HA 0.391 4.871 4.480 -0.000 0.000 0.309 533 M C -2.203 174.069 176.300 -0.047 0.000 1.202 533 M CA -1.843 53.414 55.300 -0.070 0.000 0.975 533 M CB 0.207 32.696 32.600 -0.186 0.000 1.600 533 M HN 0.110 nan 8.290 nan 0.000 0.479 534 P HA 0.029 nan 4.420 nan 0.000 0.267 534 P C -0.764 176.515 177.300 -0.036 0.000 1.195 534 P CA 0.085 63.078 63.100 -0.180 0.000 0.773 534 P CB 0.126 31.651 31.700 -0.291 0.000 0.837 535 S N 1.120 116.835 115.700 0.026 0.000 2.625 535 S HA 0.130 4.599 4.470 -0.000 0.000 0.262 535 S C 0.937 175.630 174.600 0.155 0.000 1.223 535 S CA -0.533 57.724 58.200 0.095 0.000 0.993 535 S CB -0.111 63.153 63.200 0.106 0.000 1.051 535 S HN 0.418 nan 8.310 nan 0.000 0.562 536 F N 1.441 121.393 119.950 0.003 0.000 2.098 536 F HA -0.007 4.520 4.527 -0.000 0.000 0.294 536 F C 2.689 178.499 175.800 0.017 0.000 1.107 536 F CA 1.474 59.478 58.000 0.007 0.000 1.234 536 F CB -1.094 37.929 39.000 0.037 0.000 1.002 536 F HN 0.702 nan 8.300 nan 0.000 0.472 537 Q N -0.558 119.265 119.800 0.040 0.000 2.050 537 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 537 Q C 2.481 178.465 176.000 -0.026 0.000 0.980 537 Q CA 2.310 58.076 55.803 -0.061 0.000 0.840 537 Q CB -0.418 28.314 28.738 -0.011 0.000 0.898 537 Q HN 0.386 nan 8.270 nan 0.000 0.424 538 S N -0.283 115.426 115.700 0.015 0.000 2.382 538 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 538 S C 1.846 176.445 174.600 -0.001 0.000 1.027 538 S CA 0.966 59.168 58.200 0.003 0.000 0.991 538 S CB -0.229 62.975 63.200 0.006 0.000 0.823 538 S HN 0.484 nan 8.310 nan 0.000 0.469 539 L N 0.258 121.496 121.223 0.024 0.000 2.291 539 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 539 L C 2.604 179.458 176.870 -0.028 0.000 1.120 539 L CA 0.881 55.734 54.840 0.020 0.000 0.799 539 L CB -0.268 41.852 42.059 0.103 0.000 0.925 539 L HN 0.258 nan 8.230 nan 0.000 0.446 540 K N 0.322 120.666 120.400 -0.093 0.000 1.980 540 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 540 K C 1.933 178.497 176.600 -0.059 0.000 1.043 540 K CA 1.162 57.372 56.287 -0.128 0.000 0.938 540 K CB -0.069 32.301 32.500 -0.217 0.000 0.724 540 K HN 0.157 nan 8.250 nan 0.000 0.438 541 E N 0.826 120.997 120.200 -0.048 0.000 2.095 541 E HA -0.326 4.024 4.350 -0.000 0.000 0.212 541 E C 2.154 178.742 176.600 -0.019 0.000 1.044 541 E CA 1.918 58.303 56.400 -0.024 0.000 0.857 541 E CB -0.099 29.591 29.700 -0.018 0.000 0.764 541 E HN 0.323 nan 8.360 nan 0.000 0.462 542 Q N -0.455 119.333 119.800 -0.019 0.000 2.167 542 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 542 Q C 2.221 178.208 176.000 -0.023 0.000 0.970 542 Q CA 1.038 56.831 55.803 -0.015 0.000 0.855 542 Q CB -0.087 28.646 28.738 -0.008 0.000 0.911 542 Q HN 0.279 nan 8.270 nan 0.000 0.438 543 A N 1.471 124.271 122.820 -0.034 0.000 1.873 543 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 543 A C 1.700 179.259 177.584 -0.041 0.000 1.186 543 A CA 1.667 53.674 52.037 -0.050 0.000 0.616 543 A CB -0.429 18.526 19.000 -0.075 0.000 0.823 543 A HN 0.183 nan 8.150 nan 0.000 0.442 544 D N -0.304 120.081 120.400 -0.026 0.000 2.218 544 D HA -0.078 4.562 4.640 -0.000 0.000 0.204 544 D C 1.423 177.723 176.300 0.001 0.000 0.976 544 D CA 0.955 54.955 54.000 -0.001 0.000 0.853 544 D CB -0.308 40.498 40.800 0.010 0.000 0.939 544 D HN 0.618 nan 8.370 nan 0.000 0.481 545 N N -0.968 117.728 118.700 -0.006 0.000 2.280 545 N HA 0.139 4.879 4.740 -0.000 0.000 0.192 545 N C 0.959 176.464 175.510 -0.009 0.000 1.109 545 N CA 0.082 53.129 53.050 -0.005 0.000 0.855 545 N CB 0.786 39.270 38.487 -0.006 0.000 0.974 545 N HN 0.024 nan 8.380 nan 0.000 0.482 546 A N 0.226 123.037 122.820 -0.015 0.000 2.229 546 A HA 0.110 4.430 4.320 -0.000 0.000 0.211 546 A C 1.700 179.271 177.584 -0.022 0.000 1.193 546 A CA 0.102 52.126 52.037 -0.022 0.000 0.879 546 A CB 0.216 19.197 19.000 -0.032 0.000 0.911 546 A HN 0.123 nan 8.150 nan 0.000 0.492 547 V N -2.127 117.777 119.914 -0.016 0.000 3.621 547 V HA 0.172 4.292 4.120 -0.000 0.000 0.285 547 V C 0.794 176.889 176.094 0.002 0.000 1.346 547 V CA 0.615 62.909 62.300 -0.010 0.000 1.104 547 V CB -0.683 31.133 31.823 -0.011 0.000 0.913 547 V HN 0.500 nan 8.190 nan 0.000 0.432 548 N N 0.916 119.617 118.700 0.002 0.000 2.187 548 N HA 0.214 4.954 4.740 -0.000 0.000 0.212 548 N C 1.287 176.798 175.510 0.001 0.000 1.152 548 N CA 0.797 53.851 53.050 0.007 0.000 0.872 548 N CB 1.314 39.808 38.487 0.013 0.000 1.025 548 N HN 0.588 nan 8.380 nan 0.000 0.514 549 G N 0.118 108.916 108.800 -0.004 0.000 3.528 549 G HA2 0.366 4.326 3.960 -0.000 0.000 0.266 549 G HA3 0.366 4.326 3.960 -0.000 0.000 0.266 549 G C 0.735 175.630 174.900 -0.009 0.000 1.004 549 G CA 0.170 45.267 45.100 -0.006 0.000 0.853 549 G HN 0.302 nan 8.290 nan 0.000 0.501 554 D N 2.145 122.536 120.400 -0.015 0.000 2.358 554 D HA 0.035 4.675 4.640 -0.000 0.000 0.224 554 D C 1.575 177.874 176.300 -0.003 0.000 1.123 554 D CA -0.310 53.678 54.000 -0.019 0.000 0.833 554 D CB 0.454 41.239 40.800 -0.025 0.000 0.946 554 D HN 0.438 nan 8.370 nan 0.000 0.505 555 L N 0.562 121.799 121.223 0.023 0.000 2.186 555 L HA -0.266 4.074 4.340 -0.000 0.000 0.221 555 L C 0.258 177.160 176.870 0.054 0.000 1.087 555 L CA 1.441 56.335 54.840 0.089 0.000 0.794 555 L CB -1.022 41.087 42.059 0.082 0.000 0.893 555 L HN 0.083 nan 8.230 nan 0.000 0.442 556 S N -0.471 115.221 115.700 -0.014 0.000 4.004 556 S HA 0.060 4.530 4.470 -0.000 0.000 0.480 556 S C 0.614 175.104 174.600 -0.184 0.000 1.098 556 S CA 0.478 58.633 58.200 -0.074 0.000 1.033 556 S CB 0.317 63.468 63.200 -0.080 0.000 0.714 556 S HN 0.586 nan 8.310 nan 0.000 0.501 557 A N 2.859 125.496 122.820 -0.306 0.000 3.381 557 A HA 0.149 4.469 4.320 -0.000 0.000 0.198 557 A C 0.559 177.797 177.584 -0.576 0.000 1.370 557 A CA -0.337 51.306 52.037 -0.656 0.000 1.349 557 A CB -0.596 17.454 19.000 -1.585 0.000 1.095 557 A HN 0.630 nan 8.150 nan 0.000 0.475 558 Y N 3.629 123.905 120.300 -0.041 0.000 2.466 558 Y HA 0.270 4.820 4.550 -0.000 0.000 0.272 558 Y C 0.575 176.448 175.900 -0.045 0.000 1.169 558 Y CA 0.348 58.428 58.100 -0.034 0.000 1.285 558 Y CB 0.041 38.491 38.460 -0.017 0.000 1.078 558 Y HN 0.434 nan 8.280 nan 0.000 0.523 559 E N 2.439 122.654 120.200 0.026 0.000 2.313 559 E HA 0.177 4.527 4.350 -0.000 0.000 0.276 559 E C -0.052 176.534 176.600 -0.023 0.000 1.031 559 E CA -0.905 55.498 56.400 0.005 0.000 0.857 559 E CB 0.970 30.656 29.700 -0.024 0.000 1.040 559 E HN 0.230 nan 8.360 nan 0.000 0.408 560 R N 1.887 122.384 120.500 -0.006 0.000 2.164 560 R HA -0.161 4.179 4.340 -0.000 0.000 0.342 560 R C -1.655 174.642 176.300 -0.005 0.000 1.144 560 R CA 0.487 56.576 56.100 -0.019 0.000 1.018 560 R CB -1.509 28.770 30.300 -0.036 0.000 2.924 560 R HN 0.534 nan 8.270 nan 0.000 0.497 561 S N 4.788 120.512 115.700 0.039 0.000 2.601 561 S HA 0.276 4.746 4.470 -0.000 0.000 0.312 561 S C 0.942 175.614 174.600 0.121 0.000 1.107 561 S CA -0.688 57.549 58.200 0.062 0.000 1.129 561 S CB 1.206 64.457 63.200 0.084 0.000 0.982 561 S HN 0.627 nan 8.310 nan 0.000 0.469 562 c N 2.836 121.521 118.600 0.142 0.000 2.457 562 c HA 0.090 4.660 4.570 -0.000 0.000 0.278 562 c C 2.080 176.358 174.090 0.314 0.000 1.309 562 c CA 0.463 56.954 56.329 0.269 0.000 1.735 562 c CB -1.262 41.437 42.510 0.314 0.000 1.992 562 c HN 0.928 nan 8.230 nan 0.000 0.493 563 G N 0.390 109.260 108.800 0.117 0.000 2.527 563 G HA2 0.394 4.354 3.960 -0.000 0.000 0.279 563 G HA3 0.394 4.354 3.960 -0.000 0.000 0.279 563 G C -0.129 174.531 174.900 -0.400 0.000 1.374 563 G CA -0.084 44.963 45.100 -0.088 0.000 1.053 563 G HN 0.570 nan 8.290 nan 0.000 0.539 564 I N -2.692 117.666 120.570 -0.354 0.000 2.793 564 I HA 0.529 4.699 4.170 -0.000 0.000 0.313 564 I C -2.674 173.355 176.117 -0.147 0.000 0.998 564 I CA -2.762 58.316 61.300 -0.370 0.000 1.140 564 I CB 1.884 39.671 38.000 -0.355 0.000 1.327 564 I HN 0.115 nan 8.210 nan 0.000 0.491 565 P HA 0.013 nan 4.420 nan 0.000 0.265 565 P C -0.273 177.018 177.300 -0.015 0.000 1.193 565 P CA 0.288 63.362 63.100 -0.044 0.000 0.765 565 P CB 0.523 32.188 31.700 -0.058 0.000 0.823 566 D N 3.205 123.613 120.400 0.014 0.000 2.158 566 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 566 D C 1.659 178.038 176.300 0.132 0.000 0.995 566 D CA 1.470 55.510 54.000 0.067 0.000 0.846 566 D CB 0.073 40.900 40.800 0.044 0.000 0.941 566 D HN 0.340 nan 8.370 nan 0.000 0.456 567 R N -0.233 120.283 120.500 0.028 0.000 2.127 567 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 567 R C 1.850 178.212 176.300 0.104 0.000 1.134 567 R CA 1.122 57.227 56.100 0.007 0.000 0.975 567 R CB -0.516 29.753 30.300 -0.052 0.000 0.865 567 R HN 0.299 nan 8.270 nan 0.000 0.447 568 M N 0.752 120.380 119.600 0.046 0.000 2.595 568 M HA 0.054 4.534 4.480 -0.000 0.000 0.248 568 M C 1.836 178.120 176.300 -0.028 0.000 1.119 568 M CA 0.250 55.557 55.300 0.012 0.000 1.079 568 M CB -0.676 31.909 32.600 -0.025 0.000 1.472 568 M HN 0.119 nan 8.290 nan 0.000 0.501 569 L N 1.500 122.718 121.223 -0.007 0.000 2.013 569 L HA -0.208 4.132 4.340 -0.000 0.000 0.239 569 L C 0.729 177.483 176.870 -0.192 0.000 1.100 569 L CA 1.974 56.760 54.840 -0.090 0.000 0.826 569 L CB -0.767 41.234 42.059 -0.097 0.000 0.921 569 L HN 0.142 nan 8.230 nan 0.000 0.445 570 L N -0.185 120.846 121.223 -0.320 0.000 2.456 570 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 570 L C -1.970 174.678 176.870 -0.370 0.000 1.162 570 L CA -1.635 52.967 54.840 -0.396 0.000 0.808 570 L CB -0.576 41.203 42.059 -0.467 0.000 1.136 570 L HN 0.212 nan 8.230 nan 0.000 0.466 571 P HA 0.148 nan 4.420 nan 0.000 0.278 571 P C -0.068 177.025 177.300 -0.345 0.000 1.266 571 P CA -0.633 62.202 63.100 -0.442 0.000 0.807 571 P CB 0.936 32.210 31.700 -0.711 0.000 1.094 572 K N 0.961 121.207 120.400 -0.257 0.000 2.063 572 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 572 K C 0.894 177.280 176.600 -0.356 0.000 1.048 572 K CA 1.643 57.706 56.287 -0.373 0.000 0.928 572 K CB -0.467 31.793 32.500 -0.401 0.000 0.713 572 K HN 0.585 nan 8.250 nan 0.000 0.442 573 S N -0.771 114.817 115.700 -0.187 0.000 3.443 573 S HA -0.220 4.250 4.470 -0.000 0.000 0.635 573 S C -1.089 173.443 174.600 -0.114 0.000 2.555 573 S CA 1.216 59.384 58.200 -0.053 0.000 2.778 573 S CB -0.648 62.583 63.200 0.052 0.000 0.331 573 S HN 0.498 nan 8.310 nan 0.000 1.765 574 K N 0.935 121.323 120.400 -0.021 0.000 2.340 574 K HA 0.554 4.874 4.320 -0.000 0.000 0.244 574 K C -2.337 174.362 176.600 0.165 0.000 0.973 574 K CA -1.802 54.526 56.287 0.068 0.000 0.828 574 K CB 1.154 33.703 32.500 0.082 0.000 1.226 574 K HN 0.248 nan 8.250 nan 0.000 0.437 575 P HA -0.147 nan 4.420 nan 0.000 0.221 575 P C 0.207 177.590 177.300 0.138 0.000 1.150 575 P CA 1.132 64.339 63.100 0.178 0.000 0.800 575 P CB 0.234 32.032 31.700 0.163 0.000 0.787 576 E N -0.494 119.791 120.200 0.143 0.000 2.152 576 E HA 0.158 4.508 4.350 -0.000 0.000 0.192 576 E C 1.011 177.655 176.600 0.073 0.000 0.983 576 E CA 0.724 57.188 56.400 0.108 0.000 0.818 576 E CB -0.413 29.374 29.700 0.145 0.000 0.758 576 E HN 0.170 nan 8.360 nan 0.000 0.467 577 G N 1.544 110.387 108.800 0.071 0.000 2.663 577 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.686 577 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.686 577 G C -0.499 174.363 174.900 -0.063 0.000 1.246 577 G CA -0.222 44.883 45.100 0.010 0.000 0.795 577 G HN 0.124 nan 8.290 nan 0.000 0.627 578 M N -0.820 118.672 119.600 -0.179 0.000 2.631 578 M HA 0.782 5.262 4.480 -0.000 0.000 0.288 578 M C -0.597 175.373 176.300 -0.550 0.000 1.260 578 M CA -1.104 53.952 55.300 -0.407 0.000 0.842 578 M CB 2.385 34.642 32.600 -0.572 0.000 1.743 578 M HN 0.480 nan 8.290 nan 0.000 0.461 579 E N 1.448 121.322 120.200 -0.543 0.000 2.133 579 E HA 0.593 4.943 4.350 -0.000 0.000 0.274 579 E C -1.558 174.752 176.600 -0.484 0.000 0.930 579 E CA -0.343 55.844 56.400 -0.356 0.000 0.770 579 E CB 1.471 31.087 29.700 -0.139 0.000 1.104 579 E HN 0.444 nan 8.360 nan 0.000 0.403 580 F N 0.955 120.912 119.950 0.011 0.000 2.535 580 F HA 0.368 4.895 4.527 -0.000 0.000 0.367 580 F C 0.733 176.586 175.800 0.089 0.000 1.096 580 F CA -1.089 56.941 58.000 0.051 0.000 1.088 580 F CB 0.793 39.790 39.000 -0.004 0.000 1.387 580 F HN 0.279 nan 8.300 nan 0.000 0.494 581 N N 1.054 119.966 118.700 0.353 0.000 2.372 581 N HA 0.364 5.104 4.740 -0.000 0.000 0.285 581 N C -1.695 174.004 175.510 0.316 0.000 1.008 581 N CA -0.419 52.807 53.050 0.292 0.000 0.880 581 N CB 1.640 40.306 38.487 0.299 0.000 1.239 581 N HN 0.595 nan 8.380 nan 0.000 0.484 582 L N 3.605 124.967 121.223 0.231 0.000 2.282 582 L HA 0.461 4.801 4.340 -0.000 0.000 0.288 582 L C -1.173 175.791 176.870 0.157 0.000 1.033 582 L CA -0.660 54.313 54.840 0.221 0.000 0.807 582 L CB 0.448 42.614 42.059 0.179 0.000 1.209 582 L HN 0.465 nan 8.230 nan 0.000 0.423 583 Y N 4.169 124.586 120.300 0.196 0.000 2.335 583 Y HA 0.486 5.036 4.550 0.000 0.000 0.339 583 Y C -0.288 175.711 175.900 0.164 0.000 0.987 583 Y CA -0.424 57.807 58.100 0.220 0.000 1.140 583 Y CB 1.823 40.452 38.460 0.281 0.000 1.173 583 Y HN 0.226 nan 8.280 nan 0.000 0.486 584 V N 3.913 123.918 119.914 0.152 0.000 2.444 584 V HA 0.815 4.935 4.120 -0.000 0.000 0.294 584 V C -0.410 175.761 176.094 0.128 0.000 1.022 584 V CA -0.848 61.514 62.300 0.102 0.000 0.850 584 V CB 1.277 33.138 31.823 0.064 0.000 0.992 584 V HN 0.821 nan 8.190 nan 0.000 0.426 585 A N 4.148 127.036 122.820 0.114 0.000 2.371 585 A HA 0.848 5.168 4.320 -0.000 0.000 0.311 585 A C -0.865 176.697 177.584 -0.037 0.000 1.068 585 A CA -0.672 51.429 52.037 0.107 0.000 0.744 585 A CB 2.060 21.186 19.000 0.210 0.000 1.239 585 A HN 1.302 nan 8.150 nan 0.000 0.435 586 V N 3.278 123.146 119.914 -0.077 0.000 2.325 586 V HA 0.682 4.802 4.120 -0.000 0.000 0.280 586 V C 0.093 176.102 176.094 -0.140 0.000 1.016 586 V CA 0.464 62.607 62.300 -0.262 0.000 0.818 586 V CB 0.901 32.451 31.823 -0.454 0.000 1.019 586 V HN 1.319 nan 8.190 nan 0.000 0.434 587 T N 1.963 116.346 114.554 -0.285 0.000 2.918 587 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 587 T C 0.196 174.349 174.700 -0.912 0.000 1.001 587 T CA -0.425 61.415 62.100 -0.433 0.000 1.041 587 T CB 1.426 70.165 68.868 -0.214 0.000 1.028 587 T HN 0.735 nan 8.240 nan 0.000 0.511 588 D N 1.239 120.879 120.400 -1.265 0.000 2.482 588 D HA 0.098 4.738 4.640 -0.000 0.000 0.244 588 D C 1.732 177.705 176.300 -0.545 0.000 1.242 588 D CA 0.539 53.741 54.000 -1.330 0.000 1.097 588 D CB -0.358 39.899 40.800 -0.906 0.000 1.109 588 D HN 0.840 nan 8.370 nan 0.000 0.510 589 G N 3.898 112.483 108.800 -0.358 0.000 2.817 589 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.226 589 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.226 589 G C 1.249 176.023 174.900 -0.210 0.000 1.115 589 G CA 1.021 46.017 45.100 -0.173 0.000 0.750 589 G HN 0.441 nan 8.290 nan 0.000 0.637 590 D N -0.483 119.821 120.400 -0.161 0.000 2.218 590 D HA -0.003 4.637 4.640 -0.000 0.000 0.204 590 D C 2.169 178.376 176.300 -0.156 0.000 0.976 590 D CA 1.035 54.955 54.000 -0.134 0.000 0.853 590 D CB -0.034 40.728 40.800 -0.063 0.000 0.939 590 D HN 0.489 nan 8.370 nan 0.000 0.481 591 K N -0.122 120.173 120.400 -0.175 0.000 2.355 591 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 591 K C 0.504 176.998 176.600 -0.177 0.000 1.039 591 K CA -0.011 56.181 56.287 -0.158 0.000 1.075 591 K CB 0.589 33.007 32.500 -0.136 0.000 0.870 591 K HN -0.152 nan 8.250 nan 0.000 0.540 592 D N 0.701 120.979 120.400 -0.203 0.000 2.096 592 D HA -0.110 4.530 4.640 -0.000 0.000 0.207 592 D C 1.102 177.303 176.300 -0.166 0.000 0.976 592 D CA 1.772 55.672 54.000 -0.167 0.000 0.875 592 D CB -0.365 40.367 40.800 -0.112 0.000 1.009 592 D HN 0.221 nan 8.370 nan 0.000 0.449 593 T N -0.542 113.837 114.554 -0.292 0.000 3.565 593 T HA 0.003 4.353 4.350 -0.000 0.000 0.248 593 T C 0.684 175.180 174.700 -0.339 0.000 1.033 593 T CA -0.096 61.781 62.100 -0.372 0.000 0.952 593 T CB -0.605 67.855 68.868 -0.679 0.000 1.072 593 T HN 0.119 nan 8.240 nan 0.000 0.609 594 E N 0.612 120.647 120.200 -0.275 0.000 2.888 594 E HA 0.245 4.595 4.350 -0.000 0.000 0.271 594 E C 1.124 177.512 176.600 -0.353 0.000 1.527 594 E CA -0.027 56.221 56.400 -0.253 0.000 1.700 594 E CB -0.944 28.650 29.700 -0.177 0.000 1.410 594 E HN 0.747 nan 8.360 nan 0.000 0.445 595 G N 0.634 109.092 108.800 -0.571 0.000 4.242 595 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.159 595 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.159 595 G C -0.323 174.101 174.900 -0.793 0.000 0.921 595 G CA 0.004 44.638 45.100 -0.777 0.000 0.910 595 G HN 0.484 nan 8.290 nan 0.000 0.419 607 A N 0.350 123.114 122.820 -0.092 0.000 2.469 607 A HA 0.139 4.459 4.320 -0.000 0.000 0.245 607 A C 0.828 178.478 177.584 0.109 0.000 1.221 607 A CA 0.016 52.039 52.037 -0.023 0.000 0.946 607 A CB 0.363 19.294 19.000 -0.114 0.000 1.049 607 A HN 0.427 nan 8.150 nan 0.000 0.529 608 Q N -1.268 118.700 119.800 0.281 0.000 2.324 608 Q HA 0.154 4.494 4.340 -0.000 0.000 0.207 608 Q C 0.464 176.690 176.000 0.377 0.000 0.928 608 Q CA 0.672 56.680 55.803 0.342 0.000 0.890 608 Q CB -0.486 28.469 28.738 0.362 0.000 1.001 608 Q HN 0.430 nan 8.270 nan 0.000 0.517 609 c N 2.285 121.079 118.600 0.323 0.000 2.288 609 c HA 0.552 5.122 4.570 -0.000 0.000 0.328 609 c C 1.304 175.507 174.090 0.189 0.000 1.071 609 c CA -0.843 55.632 56.329 0.244 0.000 1.594 609 c CB -0.684 41.902 42.510 0.126 0.000 1.700 609 c HN 0.545 nan 8.230 nan 0.000 0.436 610 G N 2.731 111.698 108.800 0.277 0.000 3.318 610 G HA2 0.040 4.000 3.960 -0.000 0.000 0.230 610 G HA3 0.040 4.000 3.960 -0.000 0.000 0.230 610 G C 1.299 176.243 174.900 0.073 0.000 1.317 610 G CA 0.240 45.464 45.100 0.206 0.000 1.197 610 G HN 0.639 nan 8.290 nan 0.000 0.514 611 V N 0.118 119.994 119.914 -0.062 0.000 2.592 611 V HA -0.248 3.872 4.120 -0.000 0.000 0.262 611 V C 1.649 177.765 176.094 0.036 0.000 1.108 611 V CA 1.770 63.951 62.300 -0.198 0.000 1.121 611 V CB -0.580 31.113 31.823 -0.216 0.000 0.689 611 V HN 0.731 nan 8.190 nan 0.000 0.479 612 H N -2.019 116.965 119.070 -0.144 0.000 2.510 612 H HA 0.414 4.970 4.556 0.000 0.000 0.266 612 H C 1.478 176.575 175.328 -0.385 0.000 1.146 612 H CA 0.428 56.238 56.048 -0.396 0.000 0.993 612 H CB 0.719 30.210 29.762 -0.452 0.000 1.727 612 H HN 0.443 nan 8.280 nan 0.000 0.590 613 G N 1.762 110.680 108.800 0.196 0.000 2.184 613 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.206 613 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.206 613 G C -0.104 174.927 174.900 0.219 0.000 0.995 613 G CA -0.544 44.752 45.100 0.327 0.000 0.651 613 G HN 0.429 nan 8.290 nan 0.000 0.511 614 E N 1.092 121.381 120.200 0.148 0.000 2.328 614 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 614 E C 0.861 177.534 176.600 0.121 0.000 1.057 614 E CA 0.143 56.604 56.400 0.101 0.000 0.916 614 E CB 0.923 30.657 29.700 0.056 0.000 0.993 614 E HN 0.791 nan 8.360 nan 0.000 0.446 615 A N 4.382 127.237 122.820 0.058 0.000 2.540 615 A HA -0.133 4.187 4.320 -0.000 0.000 0.264 615 A C -0.340 177.184 177.584 -0.100 0.000 1.080 615 A CA 0.020 52.037 52.037 -0.033 0.000 0.776 615 A CB -0.468 18.462 19.000 -0.116 0.000 1.011 615 A HN 0.642 nan 8.150 nan 0.000 0.514 616 Y N 6.215 126.461 120.300 -0.091 0.000 2.895 616 Y HA 0.051 4.601 4.550 0.000 0.000 0.334 616 Y C -1.028 174.760 175.900 -0.187 0.000 1.261 616 Y CA -0.279 57.794 58.100 -0.045 0.000 1.560 616 Y CB 0.728 39.200 38.460 0.020 0.000 1.253 616 Y HN 0.601 nan 8.280 nan 0.000 0.582 617 P HA -0.067 nan 4.420 nan 0.000 0.230 617 P C -0.283 177.035 177.300 0.030 0.000 1.168 617 P CA 0.719 63.732 63.100 -0.145 0.000 0.793 617 P CB 0.381 32.074 31.700 -0.012 0.000 0.851 618 D N -0.034 120.299 120.400 -0.111 0.000 2.198 618 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 618 D C 0.699 177.073 176.300 0.123 0.000 1.079 618 D CA -0.354 53.683 54.000 0.061 0.000 0.854 618 D CB 0.706 41.529 40.800 0.038 0.000 1.148 618 D HN -0.238 nan 8.370 nan 0.000 0.456 619 N N 2.228 120.990 118.700 0.104 0.000 2.454 619 N HA 0.002 4.742 4.740 -0.000 0.000 0.177 619 N C 0.289 175.809 175.510 0.017 0.000 1.049 619 N CA 0.005 53.110 53.050 0.092 0.000 0.887 619 N CB 0.120 38.632 38.487 0.042 0.000 1.095 619 N HN 0.241 nan 8.380 nan 0.000 0.446 620 R N 2.046 122.489 120.500 -0.095 0.000 2.740 620 R HA 0.040 4.380 4.340 -0.000 0.000 0.263 620 R C -1.753 174.547 176.300 -0.000 0.000 0.997 620 R CA -0.796 55.169 56.100 -0.225 0.000 1.108 620 R CB -0.451 29.537 30.300 -0.519 0.000 0.969 620 R HN 0.196 nan 8.270 nan 0.000 0.431 621 P HA 0.077 nan 4.420 nan 0.000 0.302 621 P C -0.699 176.646 177.300 0.076 0.000 1.301 621 P CA -0.276 62.914 63.100 0.150 0.000 0.745 621 P CB 0.481 32.330 31.700 0.248 0.000 1.331 622 L N -0.939 120.296 121.223 0.021 0.000 2.287 622 L HA 0.567 4.907 4.340 -0.000 0.000 0.287 622 L C 1.173 177.720 176.870 -0.539 0.000 1.022 622 L CA 0.924 55.537 54.840 -0.378 0.000 0.814 622 L CB 0.566 42.246 42.059 -0.632 0.000 1.217 622 L HN 0.829 nan 8.230 nan 0.000 0.420 623 G N 2.186 110.641 108.800 -0.575 0.000 2.159 623 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.170 623 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.170 623 G C -0.061 174.903 174.900 0.107 0.000 1.007 623 G CA -0.436 44.580 45.100 -0.140 0.000 0.672 623 G HN 0.513 nan 8.290 nan 0.000 0.507 624 Y N 2.317 122.653 120.300 0.059 0.000 2.810 624 Y HA 0.385 4.935 4.550 -0.000 0.000 0.332 624 Y C -1.468 174.512 175.900 0.133 0.000 1.243 624 Y CA -0.060 58.095 58.100 0.093 0.000 1.537 624 Y CB 1.119 39.609 38.460 0.050 0.000 1.265 624 Y HN 0.074 nan 8.280 nan 0.000 0.572 625 P HA 0.146 nan 4.420 nan 0.000 0.262 625 P C 0.051 177.225 177.300 -0.211 0.000 1.651 625 P CA 0.334 63.009 63.100 -0.709 0.000 1.119 625 P CB 0.210 31.182 31.700 -1.213 0.000 1.552 626 L N 0.563 121.668 121.223 -0.196 0.000 2.628 626 L HA 0.106 4.446 4.340 -0.000 0.000 0.229 626 L C 1.845 178.734 176.870 0.031 0.000 1.137 626 L CA 0.481 55.218 54.840 -0.171 0.000 0.909 626 L CB -0.228 41.550 42.059 -0.469 0.000 1.137 626 L HN 0.127 nan 8.230 nan 0.000 0.470 627 E N 1.066 121.352 120.200 0.143 0.000 2.502 627 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 627 E C 0.640 177.362 176.600 0.203 0.000 1.062 627 E CA 0.042 56.629 56.400 0.311 0.000 0.867 627 E CB 0.374 30.291 29.700 0.362 0.000 0.888 627 E HN 0.355 nan 8.360 nan 0.000 0.510 628 R N 0.528 121.084 120.500 0.094 0.000 2.892 628 R HA 0.387 4.727 4.340 -0.000 0.000 0.265 628 R C -0.297 175.961 176.300 -0.069 0.000 1.025 628 R CA -0.883 55.192 56.100 -0.041 0.000 0.982 628 R CB 1.472 31.668 30.300 -0.173 0.000 1.185 628 R HN -0.085 nan 8.270 nan 0.000 0.484 629 R N 1.946 122.371 120.500 -0.125 0.000 2.538 629 R HA 0.082 4.422 4.340 -0.000 0.000 0.282 629 R C -0.204 176.053 176.300 -0.072 0.000 1.009 629 R CA 0.698 56.730 56.100 -0.113 0.000 1.063 629 R CB 0.227 30.448 30.300 -0.131 0.000 0.945 629 R HN 0.450 nan 8.270 nan 0.000 0.414 630 I N 6.231 126.769 120.570 -0.052 0.000 2.668 630 I HA 0.156 4.326 4.170 -0.000 0.000 0.276 630 I C -1.772 174.333 176.117 -0.020 0.000 1.139 630 I CA -2.007 59.280 61.300 -0.023 0.000 1.133 630 I CB 1.645 39.635 38.000 -0.016 0.000 1.327 630 I HN 0.354 nan 8.210 nan 0.000 0.520 631 P HA -0.064 nan 4.420 nan 0.000 0.215 631 P C -0.285 177.018 177.300 0.004 0.000 1.157 631 P CA 1.183 64.274 63.100 -0.015 0.000 0.856 631 P CB 0.053 31.743 31.700 -0.017 0.000 0.786 632 D N -1.355 119.056 120.400 0.019 0.000 2.593 632 D HA 0.090 4.730 4.640 -0.000 0.000 0.251 632 D C 0.559 176.887 176.300 0.046 0.000 1.140 632 D CA -0.881 53.137 54.000 0.031 0.000 0.855 632 D CB 1.096 41.914 40.800 0.031 0.000 1.267 632 D HN -0.065 nan 8.370 nan 0.000 0.532 633 E N 2.120 122.350 120.200 0.050 0.000 2.209 633 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 633 E C 1.598 178.253 176.600 0.091 0.000 0.993 633 E CA 0.893 57.336 56.400 0.072 0.000 0.819 633 E CB 0.128 29.878 29.700 0.082 0.000 0.745 633 E HN 0.425 nan 8.360 nan 0.000 0.477 634 R N -0.441 120.105 120.500 0.076 0.000 2.246 634 R HA -0.255 4.085 4.340 -0.000 0.000 0.266 634 R C 1.937 178.293 176.300 0.094 0.000 1.163 634 R CA 2.030 58.176 56.100 0.076 0.000 0.992 634 R CB -0.429 29.907 30.300 0.058 0.000 0.895 634 R HN 0.153 nan 8.270 nan 0.000 0.465 635 V N -0.542 119.428 119.914 0.094 0.000 2.283 635 V HA -0.147 3.973 4.120 -0.000 0.000 0.239 635 V C 2.027 178.189 176.094 0.113 0.000 1.035 635 V CA 1.318 63.683 62.300 0.109 0.000 1.018 635 V CB -0.503 31.381 31.823 0.101 0.000 0.658 635 V HN 0.136 nan 8.190 nan 0.000 0.459 636 I N 1.152 121.788 120.570 0.109 0.000 2.182 636 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 636 I C 2.022 178.223 176.117 0.140 0.000 1.073 636 I CA 1.642 63.016 61.300 0.123 0.000 1.335 636 I CB -0.962 37.131 38.000 0.156 0.000 1.031 636 I HN 0.336 nan 8.210 nan 0.000 0.420 637 D N -0.077 120.414 120.400 0.153 0.000 2.351 637 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 637 D C 1.818 178.187 176.300 0.114 0.000 0.968 637 D CA 1.347 55.432 54.000 0.143 0.000 0.899 637 D CB -0.258 40.624 40.800 0.136 0.000 0.907 637 D HN 0.470 nan 8.370 nan 0.000 0.514 638 G N -0.083 108.795 108.800 0.129 0.000 4.100 638 G HA2 0.306 4.266 3.960 -0.000 0.000 0.294 638 G HA3 0.306 4.266 3.960 -0.000 0.000 0.294 638 G C -0.129 174.906 174.900 0.225 0.000 1.040 638 G CA -0.121 45.075 45.100 0.160 0.000 0.829 638 G HN 0.171 nan 8.290 nan 0.000 0.505 639 V N -0.366 119.600 119.914 0.088 0.000 2.459 639 V HA 0.644 4.764 4.120 -0.000 0.000 0.295 639 V C 1.254 177.369 176.094 0.034 0.000 1.029 639 V CA 0.362 62.633 62.300 -0.047 0.000 0.874 639 V CB 1.516 33.236 31.823 -0.171 0.000 0.985 639 V HN 0.263 nan 8.190 nan 0.000 0.438 640 S N 3.545 119.272 115.700 0.045 0.000 2.368 640 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 640 S C 1.181 175.805 174.600 0.039 0.000 1.030 640 S CA 1.551 59.776 58.200 0.042 0.000 0.999 640 S CB -1.025 62.192 63.200 0.028 0.000 0.844 640 S HN 1.079 nan 8.310 nan 0.000 0.459 641 N N 0.810 119.542 118.700 0.053 0.000 2.375 641 N HA 0.269 5.009 4.740 -0.000 0.000 0.220 641 N C -0.293 175.255 175.510 0.064 0.000 1.170 641 N CA -0.190 52.906 53.050 0.076 0.000 0.833 641 N CB -0.155 38.438 38.487 0.176 0.000 1.069 641 N HN 0.425 nan 8.380 nan 0.000 0.479 642 I N 0.025 120.633 120.570 0.062 0.000 2.689 642 I HA 0.400 4.570 4.170 -0.000 0.000 0.299 642 I C -0.513 175.643 176.117 0.064 0.000 1.059 642 I CA -0.965 60.389 61.300 0.090 0.000 1.055 642 I CB 2.218 40.289 38.000 0.117 0.000 1.243 642 I HN -0.069 nan 8.210 nan 0.000 0.425 643 K N 3.809 124.230 120.400 0.035 0.000 2.569 643 K HA 0.407 4.727 4.320 -0.000 0.000 0.259 643 K C -1.647 174.878 176.600 -0.126 0.000 0.932 643 K CA -0.812 55.454 56.287 -0.035 0.000 0.833 643 K CB 1.350 33.837 32.500 -0.021 0.000 1.340 643 K HN 0.731 nan 8.250 nan 0.000 0.429 644 H N 0.401 119.305 119.070 -0.277 0.000 2.667 644 H HA 0.828 5.384 4.556 0.000 0.000 0.353 644 H C -1.509 173.699 175.328 -0.201 0.000 1.072 644 H CA -0.943 54.828 56.048 -0.463 0.000 1.214 644 H CB 1.773 30.944 29.762 -0.984 0.000 1.600 644 H HN 0.157 nan 8.280 nan 0.000 0.527 645 V N 4.580 124.483 119.914 -0.018 0.000 2.789 645 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 645 V C -0.732 175.421 176.094 0.097 0.000 1.073 645 V CA -0.811 61.492 62.300 0.005 0.000 0.921 645 V CB 2.101 33.922 31.823 -0.003 0.000 1.009 645 V HN 0.939 nan 8.190 nan 0.000 0.426 646 V N 7.784 127.755 119.914 0.095 0.000 2.498 646 V HA 0.762 4.882 4.120 -0.000 0.000 0.279 646 V C -0.210 175.931 176.094 0.077 0.000 1.048 646 V CA 0.445 62.812 62.300 0.111 0.000 0.967 646 V CB 1.400 33.287 31.823 0.106 0.000 0.988 646 V HN 1.011 nan 8.190 nan 0.000 0.473 647 V N 3.372 123.337 119.914 0.085 0.000 3.345 647 V HA 0.760 4.880 4.120 -0.000 0.000 0.308 647 V C -0.243 175.872 176.094 0.036 0.000 1.168 647 V CA -1.013 61.321 62.300 0.057 0.000 1.024 647 V CB 1.571 33.432 31.823 0.064 0.000 1.211 647 V HN 1.134 nan 8.190 nan 0.000 0.461 648 K N 0.117 120.523 120.400 0.009 0.000 2.525 648 K HA 0.661 4.981 4.320 -0.000 0.000 0.254 648 K C -2.057 174.537 176.600 -0.010 0.000 0.934 648 K CA -0.698 55.574 56.287 -0.024 0.000 0.802 648 K CB 2.419 34.895 32.500 -0.039 0.000 1.295 648 K HN 0.806 nan 8.250 nan 0.000 0.433 649 I N 4.187 124.768 120.570 0.018 0.000 2.433 649 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 649 I C -0.631 175.492 176.117 0.010 0.000 1.001 649 I CA -1.173 60.147 61.300 0.032 0.000 1.119 649 I CB 2.006 40.123 38.000 0.194 0.000 1.289 649 I HN 0.297 nan 8.210 nan 0.000 0.438 650 V N 4.234 124.134 119.914 -0.023 0.000 2.715 650 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 650 V C -0.835 175.270 176.094 0.019 0.000 1.054 650 V CA -0.818 61.485 62.300 0.006 0.000 0.928 650 V CB 1.888 33.715 31.823 0.006 0.000 1.007 650 V HN 0.652 nan 8.190 nan 0.000 0.437 651 H N 2.019 121.080 119.070 -0.016 0.000 2.638 651 H HA 0.472 5.028 4.556 -0.000 0.000 0.317 651 H C -0.431 174.971 175.328 0.122 0.000 1.006 651 H CA -0.513 55.524 56.048 -0.017 0.000 1.222 651 H CB 0.406 30.141 29.762 -0.045 0.000 1.419 651 H HN 0.795 nan 8.280 nan 0.000 0.489 652 H N 4.672 123.652 119.070 -0.150 0.000 2.690 652 H HA 0.104 4.660 4.556 -0.000 0.000 0.314 652 H C 0.176 175.271 175.328 -0.389 0.000 1.069 652 H CA -0.789 55.148 56.048 -0.184 0.000 1.436 652 H CB 1.310 31.049 29.762 -0.039 0.000 1.462 652 H HN 0.404 nan 8.280 nan 0.000 0.511 653 L N 0.000 121.130 121.223 -0.155 0.000 2.949 653 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 653 L CA 0.000 54.751 54.840 -0.148 0.000 0.813 653 L CB 0.000 42.011 42.059 -0.081 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502