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 2iid_1_C DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.147 176.300 -0.255 0.000 0.893 4 R CA 0.000 56.038 56.100 -0.104 0.000 0.921 4 R CB 0.000 30.249 30.300 -0.085 0.000 0.687 5 N N 3.004 121.343 118.700 -0.601 0.000 2.401 5 N HA 0.150 4.890 4.740 -0.000 0.000 0.255 5 N C -1.784 173.558 175.510 -0.280 0.000 1.110 5 N CA -1.680 50.943 53.050 -0.712 0.000 0.949 5 N CB 1.389 39.246 38.487 -1.050 0.000 1.110 5 N HN 0.169 nan 8.380 nan 0.000 0.490 6 P HA -0.139 nan 4.420 nan 0.000 0.219 6 P C 0.882 178.116 177.300 -0.110 0.000 1.146 6 P CA 1.170 64.215 63.100 -0.092 0.000 0.808 6 P CB 0.347 32.023 31.700 -0.040 0.000 0.779 7 L N -1.484 119.677 121.223 -0.103 0.000 2.592 7 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 7 L C 2.413 179.149 176.870 -0.223 0.000 1.127 7 L CA 0.178 54.928 54.840 -0.149 0.000 0.884 7 L CB -0.720 41.323 42.059 -0.026 0.000 1.065 7 L HN -0.106 nan 8.230 nan 0.000 0.457 8 A N 0.573 123.296 122.820 -0.162 0.000 1.940 8 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 8 A C 2.167 179.641 177.584 -0.182 0.000 1.176 8 A CA 1.552 53.509 52.037 -0.134 0.000 0.631 8 A CB -0.246 18.645 19.000 -0.182 0.000 0.814 8 A HN 0.469 nan 8.150 nan 0.000 0.446 9 E N -0.843 119.229 120.200 -0.213 0.000 2.204 9 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 9 E C 1.770 178.201 176.600 -0.282 0.000 0.990 9 E CA 1.170 57.449 56.400 -0.202 0.000 0.821 9 E CB -0.348 29.258 29.700 -0.157 0.000 0.750 9 E HN 0.726 nan 8.360 nan 0.000 0.477 10 c N 0.069 118.374 118.600 -0.491 0.000 2.539 10 c HA 0.019 4.589 4.570 -0.000 0.000 0.268 10 c C 1.374 175.018 174.090 -0.743 0.000 1.395 10 c CA -0.106 55.823 56.329 -0.667 0.000 1.757 10 c CB -0.983 41.016 42.510 -0.853 0.000 1.851 10 c HN 0.250 nan 8.230 nan 0.000 0.545 11 F N 0.480 120.332 119.950 -0.164 0.000 2.668 11 F HA 0.260 4.787 4.527 -0.000 0.000 0.301 11 F C 0.993 176.682 175.800 -0.186 0.000 1.106 11 F CA -0.530 57.357 58.000 -0.188 0.000 1.289 11 F CB -0.744 38.132 39.000 -0.207 0.000 1.006 11 F HN 0.234 nan 8.300 nan 0.000 0.535 12 Q N 1.216 120.976 119.800 -0.066 0.000 2.352 12 Q HA 0.119 4.459 4.340 -0.000 0.000 0.260 12 Q C 0.232 176.195 176.000 -0.061 0.000 0.976 12 Q CA -0.162 55.581 55.803 -0.099 0.000 0.881 12 Q CB 0.961 29.641 28.738 -0.098 0.000 1.235 12 Q HN 0.179 nan 8.270 nan 0.000 0.419 13 E N 2.192 122.344 120.200 -0.079 0.000 2.316 13 E HA 0.036 4.386 4.350 -0.000 0.000 0.275 13 E C -0.688 175.993 176.600 0.136 0.000 1.029 13 E CA -0.145 56.283 56.400 0.047 0.000 0.871 13 E CB 0.511 30.310 29.700 0.165 0.000 1.022 13 E HN 0.483 nan 8.360 nan 0.000 0.418 14 N N 2.404 121.182 118.700 0.129 0.000 2.412 14 N HA -0.071 4.669 4.740 -0.000 0.000 0.254 14 N C -0.459 175.210 175.510 0.265 0.000 1.232 14 N CA 0.269 53.411 53.050 0.154 0.000 0.880 14 N CB 0.282 38.845 38.487 0.127 0.000 1.076 14 N HN 0.339 nan 8.380 nan 0.000 0.458 15 D N 0.140 120.657 120.400 0.195 0.000 2.811 15 D HA -0.259 4.381 4.640 -0.000 0.000 0.231 15 D C 0.256 176.700 176.300 0.239 0.000 1.157 15 D CA 0.578 54.666 54.000 0.147 0.000 0.716 15 D CB -1.314 39.523 40.800 0.063 0.000 1.077 15 D HN 0.579 nan 8.370 nan 0.000 0.428 16 Y N 0.587 120.970 120.300 0.138 0.000 2.165 16 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 16 Y C 2.343 178.290 175.900 0.077 0.000 1.155 16 Y CA 2.580 60.762 58.100 0.136 0.000 1.164 16 Y CB 0.053 38.546 38.460 0.055 0.000 0.978 16 Y HN 0.291 nan 8.280 nan 0.000 0.513 17 E N 0.072 120.345 120.200 0.120 0.000 2.085 17 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 17 E C 1.855 178.397 176.600 -0.098 0.000 0.994 17 E CA 1.826 58.229 56.400 0.006 0.000 0.801 17 E CB -0.182 29.527 29.700 0.016 0.000 0.743 17 E HN 0.669 nan 8.360 nan 0.000 0.453 18 E N -0.621 119.489 120.200 -0.151 0.000 2.110 18 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 18 E C 1.827 178.209 176.600 -0.363 0.000 0.988 18 E CA 1.154 57.381 56.400 -0.288 0.000 0.804 18 E CB -0.136 29.308 29.700 -0.428 0.000 0.745 18 E HN 0.315 nan 8.360 nan 0.000 0.458 19 F N 0.209 120.070 119.950 -0.148 0.000 2.293 19 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 19 F C 2.039 177.687 175.800 -0.254 0.000 1.089 19 F CA 0.347 58.237 58.000 -0.184 0.000 1.377 19 F CB -0.311 38.576 39.000 -0.188 0.000 1.051 19 F HN 0.044 nan 8.300 nan 0.000 0.511 20 L N 0.560 121.655 121.223 -0.213 0.000 2.083 20 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 20 L C 2.306 179.081 176.870 -0.158 0.000 1.083 20 L CA 1.821 56.520 54.840 -0.235 0.000 0.752 20 L CB -0.867 41.041 42.059 -0.251 0.000 0.899 20 L HN 0.098 nan 8.230 nan 0.000 0.433 21 E N -0.104 120.016 120.200 -0.134 0.000 2.110 21 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 21 E C 2.076 178.620 176.600 -0.094 0.000 0.988 21 E CA 1.789 58.122 56.400 -0.112 0.000 0.804 21 E CB -0.382 29.252 29.700 -0.110 0.000 0.745 21 E HN 0.621 nan 8.360 nan 0.000 0.458 22 I N 0.336 120.863 120.570 -0.072 0.000 2.202 22 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 22 I C 2.400 178.517 176.117 0.000 0.000 1.091 22 I CA 1.026 62.323 61.300 -0.004 0.000 1.368 22 I CB -0.463 37.579 38.000 0.070 0.000 1.058 22 I HN 0.203 nan 8.210 nan 0.000 0.410 23 A N 0.829 123.612 122.820 -0.060 0.000 1.892 23 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 23 A C 2.428 179.777 177.584 -0.391 0.000 1.188 23 A CA 1.799 53.656 52.037 -0.301 0.000 0.631 23 A CB -0.626 18.123 19.000 -0.418 0.000 0.822 23 A HN 0.321 nan 8.150 nan 0.000 0.447 24 R N -1.205 119.144 120.500 -0.251 0.000 2.062 24 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 24 R C 0.858 177.079 176.300 -0.131 0.000 1.136 24 R CA 1.519 57.495 56.100 -0.206 0.000 0.948 24 R CB -0.166 30.046 30.300 -0.147 0.000 0.845 24 R HN 0.500 nan 8.270 nan 0.000 0.430 25 N N -1.114 117.536 118.700 -0.083 0.000 2.159 25 N HA 0.136 4.876 4.740 -0.000 0.000 0.217 25 N C 0.090 175.591 175.510 -0.016 0.000 1.223 25 N CA 0.781 53.802 53.050 -0.047 0.000 0.896 25 N CB 1.841 40.297 38.487 -0.051 0.000 1.064 25 N HN 0.314 nan 8.380 nan 0.000 0.518 26 G N 0.971 109.776 108.800 0.009 0.000 2.712 26 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.683 26 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.683 26 G C -0.590 174.326 174.900 0.026 0.000 1.320 26 G CA -0.783 44.345 45.100 0.046 0.000 0.847 26 G HN 0.098 nan 8.290 nan 0.000 0.553 27 L N 0.115 121.363 121.223 0.042 0.000 2.476 27 L HA 0.319 4.659 4.340 -0.000 0.000 0.255 27 L C 1.527 178.396 176.870 -0.002 0.000 1.218 27 L CA -0.352 54.503 54.840 0.024 0.000 0.819 27 L CB 0.435 42.524 42.059 0.050 0.000 1.119 27 L HN 0.732 nan 8.230 nan 0.000 0.485 28 K N 1.670 122.064 120.400 -0.011 0.000 2.453 28 K HA 0.146 4.466 4.320 -0.000 0.000 0.280 28 K C -0.203 176.382 176.600 -0.026 0.000 1.045 28 K CA -0.400 55.874 56.287 -0.020 0.000 1.059 28 K CB 0.527 33.015 32.500 -0.020 0.000 0.901 28 K HN 0.626 nan 8.250 nan 0.000 0.475 29 A N 4.147 126.943 122.820 -0.040 0.000 2.567 29 A HA -0.022 4.298 4.320 -0.000 0.000 0.240 29 A C 0.377 177.912 177.584 -0.082 0.000 1.053 29 A CA 0.378 52.375 52.037 -0.067 0.000 0.755 29 A CB 0.187 19.151 19.000 -0.060 0.000 0.978 29 A HN 0.808 nan 8.150 nan 0.000 0.507 30 T N 1.096 115.559 114.554 -0.152 0.000 2.913 30 T HA 0.341 4.691 4.350 -0.000 0.000 0.297 30 T C 1.350 175.984 174.700 -0.109 0.000 1.029 30 T CA 0.219 62.222 62.100 -0.160 0.000 1.104 30 T CB 0.333 68.961 68.868 -0.399 0.000 0.964 30 T HN 1.161 nan 8.240 nan 0.000 0.532 31 S N 2.837 118.505 115.700 -0.054 0.000 2.539 31 S HA 0.218 4.688 4.470 -0.000 0.000 0.221 31 S C 0.502 175.094 174.600 -0.012 0.000 0.987 31 S CA -0.489 57.692 58.200 -0.032 0.000 0.929 31 S CB -0.033 63.158 63.200 -0.015 0.000 0.832 31 S HN 0.615 nan 8.310 nan 0.000 0.492 32 N N 2.429 121.130 118.700 0.001 0.000 2.752 32 N HA 0.436 5.176 4.740 -0.000 0.000 0.260 32 N C -3.409 172.157 175.510 0.093 0.000 1.562 32 N CA -1.736 51.344 53.050 0.050 0.000 0.788 32 N CB 1.054 39.589 38.487 0.081 0.000 1.192 32 N HN 0.035 nan 8.380 nan 0.000 0.503 33 P HA 0.110 nan 4.420 nan 0.000 0.263 33 P C -0.504 176.943 177.300 0.245 0.000 1.195 33 P CA 0.303 63.446 63.100 0.072 0.000 0.762 33 P CB 0.650 32.350 31.700 -0.001 0.000 0.799 34 K N 1.782 122.490 120.400 0.514 0.000 2.352 34 K HA 0.418 4.738 4.320 -0.000 0.000 0.240 34 K C -0.660 176.120 176.600 0.301 0.000 1.017 34 K CA -0.878 55.607 56.287 0.329 0.000 0.851 34 K CB 1.148 33.829 32.500 0.301 0.000 1.261 34 K HN 0.463 nan 8.250 nan 0.000 0.451 35 H N 0.686 119.815 119.070 0.099 0.000 2.556 35 H HA 0.433 4.989 4.556 -0.000 0.000 0.310 35 H C -1.292 174.069 175.328 0.055 0.000 1.057 35 H CA -0.682 55.403 56.048 0.062 0.000 1.264 35 H CB 0.345 30.126 29.762 0.031 0.000 1.404 35 H HN 0.116 nan 8.280 nan 0.000 0.462 36 V N 6.572 126.553 119.914 0.111 0.000 2.448 36 V HA 0.267 4.386 4.120 -0.000 0.000 0.295 36 V C -0.155 175.869 176.094 -0.117 0.000 1.025 36 V CA -0.941 61.338 62.300 -0.035 0.000 0.859 36 V CB 1.677 33.481 31.823 -0.031 0.000 0.988 36 V HN 0.539 nan 8.190 nan 0.000 0.431 37 V N 5.853 125.654 119.914 -0.188 0.000 2.509 37 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 37 V C -0.112 175.936 176.094 -0.075 0.000 1.047 37 V CA -0.405 61.810 62.300 -0.143 0.000 0.952 37 V CB 1.600 33.321 31.823 -0.170 0.000 0.988 37 V HN 0.571 nan 8.190 nan 0.000 0.469 38 I N 5.174 125.709 120.570 -0.059 0.000 2.389 38 I HA 0.346 4.516 4.170 -0.000 0.000 0.288 38 I C -0.129 175.952 176.117 -0.060 0.000 0.999 38 I CA -0.612 60.660 61.300 -0.047 0.000 1.129 38 I CB 1.741 39.723 38.000 -0.030 0.000 1.288 38 I HN 0.235 nan 8.210 nan 0.000 0.444 39 V N 5.369 125.255 119.914 -0.045 0.000 2.334 39 V HA 0.738 4.858 4.120 -0.000 0.000 0.267 39 V C 0.583 176.667 176.094 -0.017 0.000 1.040 39 V CA -0.271 62.005 62.300 -0.041 0.000 0.866 39 V CB 0.422 32.236 31.823 -0.015 0.000 1.019 39 V HN 1.069 nan 8.190 nan 0.000 0.468 40 G N 4.178 112.950 108.800 -0.046 0.000 3.225 40 G HA2 0.287 4.247 3.960 -0.000 0.000 0.686 40 G HA3 0.287 4.247 3.960 -0.000 0.000 0.686 40 G C -0.237 174.646 174.900 -0.028 0.000 1.105 40 G CA -0.339 44.742 45.100 -0.031 0.000 0.831 40 G HN 1.480 nan 8.290 nan 0.000 0.578 41 A N 1.804 124.605 122.820 -0.031 0.000 3.106 41 A HA 0.799 5.119 4.320 -0.000 0.000 0.306 41 A C 1.267 178.857 177.584 0.011 0.000 1.192 41 A CA 1.031 53.060 52.037 -0.013 0.000 0.994 41 A CB -0.188 18.796 19.000 -0.027 0.000 1.107 41 A HN 2.121 nan 8.150 nan 0.000 0.585 42 G N -0.961 107.846 108.800 0.012 0.000 2.510 42 G HA2 0.410 4.370 3.960 -0.000 0.000 0.280 42 G HA3 0.410 4.370 3.960 -0.000 0.000 0.280 42 G C 0.967 175.866 174.900 -0.002 0.000 1.386 42 G CA -0.472 44.637 45.100 0.014 0.000 1.047 42 G HN 0.127 nan 8.290 nan 0.000 0.527 43 M N 0.073 119.667 119.600 -0.011 0.000 2.213 43 M HA -0.047 4.433 4.480 -0.000 0.000 0.263 43 M C 2.790 179.067 176.300 -0.038 0.000 1.062 43 M CA 1.379 56.659 55.300 -0.033 0.000 1.105 43 M CB -1.553 31.030 32.600 -0.029 0.000 1.385 43 M HN 0.583 nan 8.290 nan 0.000 0.417 44 A N 0.014 122.825 122.820 -0.016 0.000 1.855 44 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 44 A C 2.442 180.018 177.584 -0.013 0.000 1.191 44 A CA 1.868 53.895 52.037 -0.017 0.000 0.613 44 A CB -1.399 17.600 19.000 -0.002 0.000 0.829 44 A HN 0.477 nan 8.150 nan 0.000 0.442 45 G N -0.306 108.494 108.800 -0.000 0.000 2.402 45 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 45 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 45 G C 1.571 176.472 174.900 0.002 0.000 1.162 45 G CA 0.952 46.052 45.100 0.000 0.000 0.777 45 G HN 0.400 nan 8.290 nan 0.000 0.539 46 L N 0.792 122.014 121.223 -0.002 0.000 2.046 46 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 46 L C 3.219 180.096 176.870 0.012 0.000 1.077 46 L CA 1.262 56.108 54.840 0.011 0.000 0.747 46 L CB -0.358 41.696 42.059 -0.008 0.000 0.896 46 L HN 0.184 nan 8.230 nan 0.000 0.432 47 S N -0.154 115.515 115.700 -0.052 0.000 2.356 47 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 47 S C 2.200 176.830 174.600 0.050 0.000 1.032 47 S CA 1.226 59.383 58.200 -0.071 0.000 1.005 47 S CB -0.357 62.771 63.200 -0.119 0.000 0.867 47 S HN 0.503 nan 8.310 nan 0.000 0.449 48 A N 1.676 124.512 122.820 0.028 0.000 1.883 48 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 48 A C 2.367 179.983 177.584 0.054 0.000 1.186 48 A CA 1.867 53.923 52.037 0.031 0.000 0.624 48 A CB -1.175 17.822 19.000 -0.005 0.000 0.822 48 A HN 0.524 nan 8.150 nan 0.000 0.444 49 A N -1.655 121.200 122.820 0.057 0.000 1.902 49 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 49 A C 2.152 179.797 177.584 0.101 0.000 1.181 49 A CA 1.655 53.730 52.037 0.063 0.000 0.623 49 A CB -0.862 18.169 19.000 0.051 0.000 0.818 49 A HN 0.721 nan 8.150 nan 0.000 0.443 50 Y N 1.048 121.361 120.300 0.023 0.000 2.097 50 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 50 Y C 2.541 178.492 175.900 0.084 0.000 1.152 50 Y CA 2.699 60.833 58.100 0.057 0.000 1.136 50 Y CB -0.243 38.254 38.460 0.062 0.000 0.975 50 Y HN 0.211 nan 8.280 nan 0.000 0.498 51 V N -1.522 118.547 119.914 0.259 0.000 2.548 51 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 51 V C 2.086 178.233 176.094 0.088 0.000 1.055 51 V CA 1.824 64.230 62.300 0.177 0.000 1.065 51 V CB -1.034 30.926 31.823 0.227 0.000 0.681 51 V HN 0.459 nan 8.190 nan 0.000 0.462 52 L N 0.736 122.012 121.223 0.088 0.000 2.056 52 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 52 L C 3.040 179.983 176.870 0.121 0.000 1.078 52 L CA 1.581 56.498 54.840 0.129 0.000 0.749 52 L CB -0.836 41.262 42.059 0.066 0.000 0.901 52 L HN 0.414 nan 8.230 nan 0.000 0.433 53 A N 0.300 123.140 122.820 0.034 0.000 1.902 53 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 53 A C 2.402 179.942 177.584 -0.075 0.000 1.181 53 A CA 1.720 53.744 52.037 -0.021 0.000 0.623 53 A CB -1.311 17.646 19.000 -0.072 0.000 0.818 53 A HN 0.436 nan 8.150 nan 0.000 0.443 54 G N -0.651 108.074 108.800 -0.124 0.000 2.450 54 G HA2 0.021 3.981 3.960 -0.000 0.000 0.220 54 G HA3 0.021 3.981 3.960 -0.000 0.000 0.220 54 G C 1.523 176.380 174.900 -0.071 0.000 1.130 54 G CA 1.256 46.277 45.100 -0.132 0.000 0.760 54 G HN 0.867 nan 8.290 nan 0.000 0.557 55 A N -0.661 122.136 122.820 -0.037 0.000 2.208 55 A HA 0.473 4.793 4.320 -0.000 0.000 0.209 55 A C 1.961 179.447 177.584 -0.163 0.000 1.161 55 A CA 1.346 53.346 52.037 -0.062 0.000 0.782 55 A CB -0.276 18.729 19.000 0.007 0.000 0.816 55 A HN 1.594 nan 8.150 nan 0.000 0.477 56 G N -1.696 107.023 108.800 -0.136 0.000 2.163 56 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.213 56 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.213 56 G C -0.004 174.793 174.900 -0.172 0.000 0.991 56 G CA 0.180 45.185 45.100 -0.159 0.000 0.653 56 G HN 0.716 nan 8.290 nan 0.000 0.518 57 H N 0.262 119.331 119.070 -0.003 0.000 2.547 57 H HA 0.522 5.078 4.556 -0.000 0.000 0.362 57 H C 0.633 175.976 175.328 0.024 0.000 1.181 57 H CA 0.187 56.249 56.048 0.023 0.000 1.376 57 H CB 0.752 30.535 29.762 0.035 0.000 1.488 57 H HN 0.277 nan 8.280 nan 0.000 0.583 58 Q N 2.273 122.190 119.800 0.195 0.000 2.288 58 Q HA 0.332 4.672 4.340 -0.000 0.000 0.258 58 Q C -1.139 174.996 176.000 0.226 0.000 0.957 58 Q CA -0.763 55.106 55.803 0.110 0.000 0.919 58 Q CB 0.650 29.370 28.738 -0.030 0.000 1.185 58 Q HN 0.522 nan 8.270 nan 0.000 0.408 59 V N 1.219 121.230 119.914 0.161 0.000 2.604 59 V HA 0.714 4.834 4.120 -0.000 0.000 0.305 59 V C -0.732 175.472 176.094 0.183 0.000 1.043 59 V CA -0.521 61.883 62.300 0.173 0.000 0.888 59 V CB 2.114 33.990 31.823 0.088 0.000 0.995 59 V HN 0.710 nan 8.190 nan 0.000 0.429 60 T N 4.252 118.926 114.554 0.200 0.000 2.847 60 T HA 0.580 4.930 4.350 -0.000 0.000 0.291 60 T C -0.446 174.285 174.700 0.052 0.000 0.998 60 T CA -0.337 61.863 62.100 0.168 0.000 0.967 60 T CB 1.333 70.314 68.868 0.189 0.000 0.954 60 T HN 0.744 nan 8.240 nan 0.000 0.441 61 V N 5.388 125.328 119.914 0.044 0.000 2.407 61 V HA 0.476 4.596 4.120 -0.000 0.000 0.278 61 V C -0.194 175.835 176.094 -0.108 0.000 1.037 61 V CA -0.763 61.508 62.300 -0.048 0.000 0.900 61 V CB 1.144 32.924 31.823 -0.071 0.000 0.983 61 V HN 0.724 nan 8.190 nan 0.000 0.459 62 L N 4.443 125.559 121.223 -0.177 0.000 2.319 62 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 62 L C -0.371 176.369 176.870 -0.216 0.000 1.005 62 L CA -0.430 54.244 54.840 -0.277 0.000 0.828 62 L CB 1.692 43.518 42.059 -0.388 0.000 1.227 62 L HN 0.622 nan 8.230 nan 0.000 0.415 63 E N 2.275 122.335 120.200 -0.233 0.000 2.176 63 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 63 E C 0.304 176.823 176.600 -0.133 0.000 0.893 63 E CA -0.338 55.962 56.400 -0.166 0.000 0.761 63 E CB 2.081 31.691 29.700 -0.150 0.000 1.133 63 E HN 0.560 nan 8.360 nan 0.000 0.409 64 A N 3.597 126.287 122.820 -0.218 0.000 1.933 64 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 64 A C 1.261 178.651 177.584 -0.323 0.000 1.175 64 A CA 1.485 53.351 52.037 -0.286 0.000 0.628 64 A CB -0.642 18.085 19.000 -0.455 0.000 0.814 64 A HN 0.687 nan 8.150 nan 0.000 0.444 65 S N -0.478 114.971 115.700 -0.418 0.000 2.694 65 S HA 0.292 4.762 4.470 -0.000 0.000 0.278 65 S C 0.828 175.439 174.600 0.018 0.000 1.152 65 S CA 0.219 58.307 58.200 -0.188 0.000 1.010 65 S CB 0.613 63.721 63.200 -0.153 0.000 1.104 65 S HN 0.458 nan 8.310 nan 0.000 0.547 66 E N 0.213 120.395 120.200 -0.030 0.000 2.479 66 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 66 E C 0.448 176.690 176.600 -0.597 0.000 1.049 66 E CA -0.121 56.184 56.400 -0.157 0.000 0.870 66 E CB -0.154 29.474 29.700 -0.119 0.000 0.944 66 E HN 0.746 nan 8.360 nan 0.000 0.492 67 R N 0.142 120.356 120.500 -0.475 0.000 2.774 67 R HA 0.602 4.942 4.340 -0.000 0.000 0.272 67 R C -3.106 173.051 176.300 -0.238 0.000 1.000 67 R CA -1.944 53.761 56.100 -0.657 0.000 0.906 67 R CB 1.516 31.604 30.300 -0.353 0.000 1.227 67 R HN -0.225 nan 8.270 nan 0.000 0.468 68 P HA 0.295 nan 4.420 nan 0.000 0.287 68 P C 0.128 177.413 177.300 -0.024 0.000 1.270 68 P CA 0.240 63.352 63.100 0.019 0.000 0.844 68 P CB 1.696 33.374 31.700 -0.037 0.000 1.068 69 G N -0.021 108.786 108.800 0.012 0.000 2.336 69 G HA2 0.022 3.982 3.960 -0.000 0.000 0.194 69 G HA3 0.022 3.982 3.960 -0.000 0.000 0.194 69 G C 0.702 175.619 174.900 0.028 0.000 0.999 69 G CA 0.418 45.523 45.100 0.009 0.000 0.669 69 G HN 0.887 nan 8.290 nan 0.000 0.482 70 G N 0.666 109.497 108.800 0.052 0.000 2.665 70 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.326 70 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.326 70 G C 1.063 176.030 174.900 0.112 0.000 1.231 70 G CA 1.587 46.737 45.100 0.084 0.000 0.992 70 G HN 1.062 nan 8.290 nan 0.000 0.549 71 R N -0.088 120.395 120.500 -0.027 0.000 2.280 71 R HA 0.207 4.547 4.340 -0.000 0.000 0.207 71 R C 0.807 177.011 176.300 -0.159 0.000 1.043 71 R CA 0.575 56.493 56.100 -0.302 0.000 1.006 71 R CB -0.023 29.914 30.300 -0.605 0.000 0.885 71 R HN 0.255 nan 8.270 nan 0.000 0.467 72 V N 2.375 122.268 119.914 -0.034 0.000 2.370 72 V HA 0.152 4.272 4.120 -0.000 0.000 0.257 72 V C 0.123 176.266 176.094 0.082 0.000 1.064 72 V CA 0.054 62.364 62.300 0.016 0.000 0.975 72 V CB 0.237 32.061 31.823 0.001 0.000 1.067 72 V HN 0.170 nan 8.190 nan 0.000 0.485 73 R N 3.116 123.708 120.500 0.154 0.000 2.604 73 R HA 0.625 4.965 4.340 -0.000 0.000 0.281 73 R C -1.154 175.229 176.300 0.139 0.000 1.020 73 R CA -0.362 55.840 56.100 0.169 0.000 0.899 73 R CB 2.198 32.686 30.300 0.313 0.000 1.205 73 R HN 0.602 nan 8.270 nan 0.000 0.450 74 T N 3.382 117.975 114.554 0.065 0.000 2.848 74 T HA 0.213 4.563 4.350 -0.000 0.000 0.285 74 T C -1.506 173.222 174.700 0.046 0.000 0.995 74 T CA -0.421 61.713 62.100 0.056 0.000 0.970 74 T CB 0.831 69.671 68.868 -0.046 0.000 0.976 74 T HN 0.452 nan 8.240 nan 0.000 0.441 75 Y N 3.399 123.662 120.300 -0.061 0.000 2.336 75 Y HA 0.558 5.108 4.550 -0.000 0.000 0.335 75 Y C 0.205 176.009 175.900 -0.161 0.000 1.046 75 Y CA -0.561 57.468 58.100 -0.119 0.000 1.198 75 Y CB 0.524 38.900 38.460 -0.139 0.000 1.182 75 Y HN 0.503 nan 8.280 nan 0.000 0.502 76 R N 4.169 124.304 120.500 -0.608 0.000 2.562 76 R HA 0.296 4.636 4.340 -0.000 0.000 0.298 76 R C -1.192 174.607 176.300 -0.835 0.000 0.961 76 R CA -0.996 54.780 56.100 -0.539 0.000 0.881 76 R CB 1.160 31.255 30.300 -0.341 0.000 1.159 76 R HN 0.573 nan 8.270 nan 0.000 0.450 77 N N 2.151 120.312 118.700 -0.898 0.000 2.696 77 N HA 0.007 4.747 4.740 -0.000 0.000 0.246 77 N C 0.228 175.425 175.510 -0.521 0.000 1.057 77 N CA -0.128 52.458 53.050 -0.774 0.000 0.867 77 N CB 1.329 39.209 38.487 -1.012 0.000 1.141 77 N HN 0.768 nan 8.380 nan 0.000 0.517 78 E N 2.054 122.054 120.200 -0.333 0.000 2.038 78 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 78 E C 1.103 177.615 176.600 -0.147 0.000 1.000 78 E CA 1.260 57.535 56.400 -0.209 0.000 0.803 78 E CB 0.079 29.686 29.700 -0.156 0.000 0.750 78 E HN 0.550 nan 8.360 nan 0.000 0.448 79 E N 0.287 120.415 120.200 -0.119 0.000 2.110 79 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 79 E C 1.717 178.305 176.600 -0.020 0.000 0.988 79 E CA 1.253 57.620 56.400 -0.054 0.000 0.804 79 E CB -0.158 29.521 29.700 -0.035 0.000 0.745 79 E HN 0.350 nan 8.360 nan 0.000 0.458 80 A N -0.041 122.762 122.820 -0.028 0.000 2.206 80 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 80 A C 1.522 179.186 177.584 0.133 0.000 1.158 80 A CA 1.094 53.199 52.037 0.115 0.000 0.761 80 A CB -0.422 18.757 19.000 0.298 0.000 0.801 80 A HN 0.383 nan 8.150 nan 0.000 0.473 81 G N -1.205 107.560 108.800 -0.059 0.000 2.225 81 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 81 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 81 G C -0.132 174.582 174.900 -0.310 0.000 1.060 81 G CA 0.377 45.420 45.100 -0.094 0.000 0.833 81 G HN 1.385 nan 8.290 nan 0.000 0.498 82 W N -1.439 119.538 121.300 -0.537 0.000 3.074 82 W HA 0.738 5.397 4.660 -0.000 0.000 0.332 82 W C -0.758 175.520 176.519 -0.401 0.000 1.253 82 W CA -1.670 55.043 57.345 -1.053 0.000 1.180 82 W CB 0.638 29.644 29.460 -0.757 0.000 1.445 82 W HN 0.556 nan 8.180 nan 0.000 0.573 83 Y N -0.236 120.105 120.300 0.070 0.000 2.644 83 Y HA 0.877 5.427 4.550 -0.000 0.000 0.338 83 Y C -1.504 174.709 175.900 0.523 0.000 1.119 83 Y CA -1.990 56.217 58.100 0.178 0.000 1.060 83 Y CB 1.259 39.760 38.460 0.070 0.000 1.294 83 Y HN 0.788 nan 8.280 nan 0.000 0.472 84 A N 1.833 124.995 122.820 0.570 0.000 2.375 84 A HA 0.513 4.833 4.320 -0.000 0.000 0.295 84 A C -1.737 175.954 177.584 0.179 0.000 1.066 84 A CA -1.009 51.163 52.037 0.224 0.000 0.722 84 A CB 0.431 19.181 19.000 -0.416 0.000 1.206 84 A HN 0.863 nan 8.150 nan 0.000 0.435 85 N N 2.156 121.060 118.700 0.340 0.000 2.411 85 N HA 0.303 5.043 4.740 -0.000 0.000 0.259 85 N C 0.837 176.505 175.510 0.264 0.000 1.103 85 N CA -0.332 52.881 53.050 0.271 0.000 0.954 85 N CB 0.854 39.519 38.487 0.297 0.000 1.085 85 N HN 0.655 nan 8.380 nan 0.000 0.485 86 L N 1.103 122.465 121.223 0.232 0.000 2.375 86 L HA 0.166 4.506 4.340 -0.000 0.000 0.215 86 L C 1.655 178.884 176.870 0.598 0.000 1.108 86 L CA 0.363 55.413 54.840 0.349 0.000 0.830 86 L CB -0.148 42.037 42.059 0.210 0.000 0.959 86 L HN 0.614 nan 8.230 nan 0.000 0.457 87 G N -0.511 108.555 108.800 0.443 0.000 2.851 87 G HA2 0.266 4.226 3.960 -0.000 0.000 0.208 87 G HA3 0.266 4.226 3.960 -0.000 0.000 0.208 87 G C -2.355 172.524 174.900 -0.034 0.000 1.894 87 G CA -0.226 44.980 45.100 0.177 0.000 0.732 87 G HN -0.040 nan 8.290 nan 0.000 0.802 88 P HA 0.136 nan 4.420 nan 0.000 0.265 88 P C 0.396 177.668 177.300 -0.047 0.000 1.187 88 P CA 0.935 63.984 63.100 -0.085 0.000 0.766 88 P CB 0.592 32.270 31.700 -0.036 0.000 0.820 89 M N 1.792 121.318 119.600 -0.124 0.000 2.163 89 M HA 0.259 4.739 4.480 -0.000 0.000 0.356 89 M C -0.124 175.989 176.300 -0.311 0.000 0.863 89 M CA -0.044 55.178 55.300 -0.129 0.000 1.113 89 M CB 0.951 33.455 32.600 -0.160 0.000 2.038 89 M HN 0.126 nan 8.290 nan 0.000 0.691 90 R N 1.035 121.369 120.500 -0.278 0.000 2.604 90 R HA 0.783 5.123 4.340 -0.000 0.000 0.270 90 R C -2.105 174.317 176.300 0.205 0.000 1.052 90 R CA -0.808 55.134 56.100 -0.262 0.000 0.902 90 R CB 1.708 31.520 30.300 -0.813 0.000 1.233 90 R HN 0.268 nan 8.270 nan 0.000 0.455 91 L N 2.302 123.677 121.223 0.254 0.000 2.406 91 L HA 0.529 4.869 4.340 -0.000 0.000 0.272 91 L C -2.472 174.375 176.870 -0.038 0.000 0.980 91 L CA -2.462 52.496 54.840 0.196 0.000 0.831 91 L CB 2.572 44.721 42.059 0.150 0.000 1.253 91 L HN 0.460 nan 8.230 nan 0.000 0.406 92 P HA 0.070 nan 4.420 nan 0.000 0.275 92 P C 0.391 177.345 177.300 -0.577 0.000 1.228 92 P CA -0.267 62.215 63.100 -1.030 0.000 0.786 92 P CB 1.000 31.842 31.700 -1.431 0.000 0.927 93 E N 2.472 122.373 120.200 -0.498 0.000 2.160 93 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 93 E C 1.407 177.880 176.600 -0.211 0.000 0.991 93 E CA 1.308 57.552 56.400 -0.260 0.000 0.810 93 E CB 0.003 29.579 29.700 -0.206 0.000 0.742 93 E HN 0.458 nan 8.360 nan 0.000 0.466 94 K N -0.422 119.795 120.400 -0.305 0.000 2.525 94 K HA -0.063 4.257 4.320 -0.000 0.000 0.192 94 K C -0.051 176.525 176.600 -0.041 0.000 1.029 94 K CA 0.595 56.763 56.287 -0.197 0.000 1.029 94 K CB -0.172 32.174 32.500 -0.257 0.000 0.814 94 K HN 0.233 nan 8.250 nan 0.000 0.503 95 H N 1.671 120.625 119.070 -0.193 0.000 3.014 95 H HA 0.211 4.767 4.556 -0.000 0.000 0.266 95 H C 0.488 175.832 175.328 0.025 0.000 1.455 95 H CA -0.905 55.092 56.048 -0.085 0.000 1.402 95 H CB 0.671 30.351 29.762 -0.136 0.000 1.626 95 H HN 0.133 nan 8.280 nan 0.000 0.520 96 R N 2.212 122.854 120.500 0.237 0.000 2.127 96 R HA -0.013 4.327 4.340 -0.000 0.000 0.217 96 R C 1.799 178.134 176.300 0.058 0.000 1.074 96 R CA 0.398 56.584 56.100 0.144 0.000 0.991 96 R CB 0.084 30.501 30.300 0.196 0.000 0.895 96 R HN 0.584 nan 8.270 nan 0.000 0.450 97 I N 0.168 120.772 120.570 0.056 0.000 2.163 97 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 97 I C 2.498 178.665 176.117 0.085 0.000 1.081 97 I CA 0.944 62.227 61.300 -0.027 0.000 1.353 97 I CB -0.378 37.583 38.000 -0.065 0.000 1.054 97 I HN -0.082 nan 8.210 nan 0.000 0.407 98 V N 1.334 121.325 119.914 0.129 0.000 2.332 98 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 98 V C 2.603 178.779 176.094 0.137 0.000 1.055 98 V CA 2.012 64.415 62.300 0.171 0.000 1.038 98 V CB -0.486 31.427 31.823 0.150 0.000 0.651 98 V HN 0.355 nan 8.190 nan 0.000 0.450 99 R N -0.576 119.975 120.500 0.084 0.000 2.148 99 R HA -0.161 4.179 4.340 -0.000 0.000 0.227 99 R C 2.250 178.539 176.300 -0.017 0.000 1.103 99 R CA 1.513 57.641 56.100 0.045 0.000 0.983 99 R CB -0.229 30.092 30.300 0.035 0.000 0.874 99 R HN 0.553 nan 8.270 nan 0.000 0.451 100 E N -0.021 120.128 120.200 -0.086 0.000 2.072 100 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 100 E C 1.299 177.697 176.600 -0.338 0.000 0.985 100 E CA 1.446 57.706 56.400 -0.234 0.000 0.801 100 E CB -0.150 29.344 29.700 -0.344 0.000 0.750 100 E HN 0.305 nan 8.360 nan 0.000 0.452 101 Y N 0.149 120.349 120.300 -0.167 0.000 2.242 101 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 101 Y C 2.167 177.960 175.900 -0.178 0.000 1.137 101 Y CA 1.137 59.062 58.100 -0.292 0.000 1.181 101 Y CB -0.294 38.092 38.460 -0.123 0.000 0.989 101 Y HN 0.071 nan 8.280 nan 0.000 0.527 102 I N -0.380 120.266 120.570 0.127 0.000 2.163 102 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 102 I C 2.725 178.877 176.117 0.058 0.000 1.085 102 I CA 1.568 62.949 61.300 0.134 0.000 1.347 102 I CB -0.384 37.683 38.000 0.112 0.000 1.044 102 I HN 0.121 nan 8.210 nan 0.000 0.408 103 R N 1.264 121.752 120.500 -0.021 0.000 2.080 103 R HA -0.248 4.092 4.340 -0.000 0.000 0.236 103 R C 2.406 178.648 176.300 -0.095 0.000 1.137 103 R CA 1.930 58.000 56.100 -0.050 0.000 0.943 103 R CB -0.226 30.026 30.300 -0.080 0.000 0.846 103 R HN 0.212 nan 8.270 nan 0.000 0.431 104 K N -0.544 119.711 120.400 -0.241 0.000 2.103 104 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 104 K C 0.989 177.429 176.600 -0.268 0.000 1.048 104 K CA 1.401 57.474 56.287 -0.358 0.000 0.930 104 K CB -0.010 32.097 32.500 -0.655 0.000 0.716 104 K HN 0.145 nan 8.250 nan 0.000 0.444 105 F N 1.007 120.985 119.950 0.046 0.000 2.660 105 F HA 0.111 4.638 4.527 -0.000 0.000 0.302 105 F C 0.209 176.030 175.800 0.035 0.000 1.103 105 F CA -0.353 57.674 58.000 0.045 0.000 1.340 105 F CB -0.245 38.779 39.000 0.039 0.000 1.048 105 F HN 0.084 nan 8.300 nan 0.000 0.551 106 D N 1.181 121.667 120.400 0.143 0.000 2.751 106 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 106 D C -0.188 176.174 176.300 0.104 0.000 1.149 106 D CA 0.465 54.524 54.000 0.098 0.000 0.682 106 D CB -1.024 39.829 40.800 0.088 0.000 1.068 106 D HN 0.219 nan 8.370 nan 0.000 0.429 107 L N -0.332 120.964 121.223 0.121 0.000 2.439 107 L HA 0.516 4.856 4.340 -0.000 0.000 0.259 107 L C 1.370 178.290 176.870 0.082 0.000 1.129 107 L CA -0.634 54.268 54.840 0.104 0.000 0.803 107 L CB 1.002 43.136 42.059 0.124 0.000 1.161 107 L HN -0.095 nan 8.230 nan 0.000 0.462 108 R N 1.242 121.788 120.500 0.077 0.000 2.778 108 R HA 0.724 5.064 4.340 -0.000 0.000 0.277 108 R C -1.234 175.119 176.300 0.088 0.000 0.977 108 R CA -0.892 55.254 56.100 0.076 0.000 0.950 108 R CB 1.887 32.231 30.300 0.074 0.000 1.165 108 R HN 0.427 nan 8.270 nan 0.000 0.474 109 L N 1.259 122.537 121.223 0.092 0.000 2.334 109 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 109 L C -0.542 176.404 176.870 0.127 0.000 1.013 109 L CA -0.981 53.925 54.840 0.111 0.000 0.816 109 L CB 1.891 44.011 42.059 0.101 0.000 1.278 109 L HN 0.581 nan 8.230 nan 0.000 0.431 110 N N 0.688 119.486 118.700 0.164 0.000 2.295 110 N HA 0.147 4.887 4.740 -0.000 0.000 0.293 110 N C -0.912 174.728 175.510 0.217 0.000 1.040 110 N CA -0.616 52.543 53.050 0.181 0.000 0.840 110 N CB 1.916 40.526 38.487 0.205 0.000 1.468 110 N HN 0.558 nan 8.380 nan 0.000 0.478 111 E N 2.592 122.907 120.200 0.191 0.000 2.465 111 E HA 0.008 4.358 4.350 -0.000 0.000 0.260 111 E C -1.117 175.644 176.600 0.268 0.000 0.980 111 E CA 0.106 56.638 56.400 0.219 0.000 0.927 111 E CB 0.324 30.123 29.700 0.166 0.000 0.934 111 E HN 0.425 nan 8.360 nan 0.000 0.459 112 F N 3.976 124.031 119.950 0.176 0.000 2.361 112 F HA 0.274 4.801 4.527 -0.000 0.000 0.364 112 F C -0.650 175.236 175.800 0.142 0.000 1.120 112 F CA -0.548 57.544 58.000 0.154 0.000 1.102 112 F CB 1.091 40.202 39.000 0.184 0.000 1.183 112 F HN 0.224 nan 8.300 nan 0.000 0.476 113 S N 5.893 121.544 115.700 -0.081 0.000 2.489 113 S HA 0.117 4.587 4.470 -0.000 0.000 0.277 113 S C 0.929 175.526 174.600 -0.005 0.000 1.230 113 S CA -0.672 57.534 58.200 0.009 0.000 1.053 113 S CB 1.376 64.547 63.200 -0.048 0.000 0.955 113 S HN 0.670 nan 8.310 nan 0.000 0.488 114 Q N 1.601 121.475 119.800 0.123 0.000 2.297 114 Q HA 0.075 4.415 4.340 -0.000 0.000 0.204 114 Q C 0.428 176.434 176.000 0.010 0.000 0.962 114 Q CA 0.939 56.799 55.803 0.095 0.000 0.879 114 Q CB 0.211 28.985 28.738 0.059 0.000 0.947 114 Q HN 0.758 nan 8.270 nan 0.000 0.462 115 E N -0.002 120.194 120.200 -0.006 0.000 2.331 115 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 115 E C -1.584 174.985 176.600 -0.052 0.000 0.895 115 E CA -0.356 56.023 56.400 -0.036 0.000 0.753 115 E CB 1.411 31.108 29.700 -0.004 0.000 1.216 115 E HN -0.031 nan 8.360 nan 0.000 0.434 116 N N 2.799 121.449 118.700 -0.083 0.000 2.480 116 N HA 0.152 4.892 4.740 -0.000 0.000 0.289 116 N C -0.434 175.002 175.510 -0.123 0.000 1.073 116 N CA -0.439 52.553 53.050 -0.097 0.000 0.885 116 N CB 1.167 39.582 38.487 -0.120 0.000 1.421 116 N HN 0.404 nan 8.380 nan 0.000 0.503 117 D N 1.352 121.693 120.400 -0.100 0.000 2.265 117 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 117 D C 0.688 176.869 176.300 -0.198 0.000 0.977 117 D CA 1.101 55.035 54.000 -0.110 0.000 0.871 117 D CB 0.160 40.916 40.800 -0.074 0.000 0.925 117 D HN 0.557 nan 8.370 nan 0.000 0.485 118 N N 0.123 118.680 118.700 -0.239 0.000 2.422 118 N HA 0.067 4.806 4.740 -0.000 0.000 0.181 118 N C 0.805 175.960 175.510 -0.592 0.000 1.080 118 N CA 0.044 52.880 53.050 -0.358 0.000 0.893 118 N CB 0.493 38.833 38.487 -0.246 0.000 0.973 118 N HN 0.080 nan 8.380 nan 0.000 0.456 119 A N 0.454 122.990 122.820 -0.473 0.000 2.260 119 A HA 0.450 4.770 4.320 -0.000 0.000 0.278 119 A C -0.695 176.524 177.584 -0.609 0.000 1.269 119 A CA -0.074 51.668 52.037 -0.491 0.000 0.824 119 A CB 0.165 19.048 19.000 -0.195 0.000 1.238 119 A HN 0.239 nan 8.150 nan 0.000 0.507 120 W N -2.603 118.627 121.300 -0.117 0.000 2.844 120 W HA 0.586 5.246 4.660 -0.000 0.000 0.340 120 W C -1.402 175.019 176.519 -0.164 0.000 1.093 120 W CA -0.166 57.128 57.345 -0.084 0.000 1.212 120 W CB 1.207 30.611 29.460 -0.094 0.000 1.422 120 W HN 0.528 nan 8.180 nan 0.000 0.515 121 Y N 1.972 122.458 120.300 0.311 0.000 2.330 121 Y HA 0.441 4.991 4.550 -0.000 0.000 0.336 121 Y C -0.550 175.513 175.900 0.272 0.000 1.036 121 Y CA -0.820 57.405 58.100 0.208 0.000 1.125 121 Y CB 1.043 39.579 38.460 0.128 0.000 1.194 121 Y HN 0.215 nan 8.280 nan 0.000 0.469 122 F N 5.757 125.807 119.950 0.167 0.000 2.532 122 F HA 0.592 5.119 4.527 -0.000 0.000 0.365 122 F C -1.674 174.147 175.800 0.035 0.000 1.112 122 F CA -0.854 57.183 58.000 0.061 0.000 1.082 122 F CB 0.267 39.248 39.000 -0.031 0.000 1.319 122 F HN 0.232 nan 8.300 nan 0.000 0.457 123 I N 5.719 126.102 120.570 -0.313 0.000 2.534 123 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 123 I C -0.009 175.891 176.117 -0.362 0.000 1.077 123 I CA -0.956 60.214 61.300 -0.217 0.000 1.051 123 I CB 2.070 40.056 38.000 -0.024 0.000 1.234 123 I HN 0.522 nan 8.210 nan 0.000 0.425 124 K N 4.252 124.458 120.400 -0.324 0.000 3.071 124 K HA -0.267 4.053 4.320 -0.000 0.000 0.262 124 K C 0.088 176.468 176.600 -0.367 0.000 0.977 124 K CA 0.951 57.056 56.287 -0.303 0.000 0.721 124 K CB -1.230 31.095 32.500 -0.292 0.000 1.293 124 K HN 0.821 nan 8.250 nan 0.000 0.475 125 N N -1.331 117.007 118.700 -0.604 0.000 2.741 125 N HA -0.207 4.532 4.740 -0.000 0.000 0.251 125 N C -0.586 174.596 175.510 -0.547 0.000 1.112 125 N CA 1.348 53.986 53.050 -0.687 0.000 0.750 125 N CB -0.774 37.566 38.487 -0.246 0.000 1.119 125 N HN 0.434 nan 8.380 nan 0.000 0.561 126 I N 0.464 120.710 120.570 -0.539 0.000 2.336 126 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 126 I C 0.512 176.512 176.117 -0.195 0.000 0.991 126 I CA -0.547 60.594 61.300 -0.264 0.000 1.227 126 I CB 1.621 39.515 38.000 -0.177 0.000 1.366 126 I HN 0.066 nan 8.210 nan 0.000 0.466 127 R N 6.741 127.261 120.500 0.034 0.000 2.337 127 R HA 0.488 4.828 4.340 -0.000 0.000 0.319 127 R C -1.307 175.175 176.300 0.303 0.000 0.954 127 R CA -0.637 55.611 56.100 0.245 0.000 0.840 127 R CB 0.858 31.321 30.300 0.272 0.000 1.164 127 R HN 0.504 nan 8.270 nan 0.000 0.472 128 K N 3.147 123.803 120.400 0.427 0.000 2.477 128 K HA 0.344 4.664 4.320 -0.000 0.000 0.255 128 K C -0.806 176.059 176.600 0.442 0.000 0.952 128 K CA -1.076 55.451 56.287 0.400 0.000 0.826 128 K CB 1.991 34.618 32.500 0.211 0.000 1.331 128 K HN 0.407 nan 8.250 nan 0.000 0.437 129 K N 1.220 121.707 120.400 0.144 0.000 2.414 129 K HA 0.050 4.370 4.320 -0.000 0.000 0.272 129 K C 1.368 177.988 176.600 0.034 0.000 0.993 129 K CA 0.019 56.188 56.287 -0.196 0.000 0.964 129 K CB 0.743 33.060 32.500 -0.305 0.000 0.925 129 K HN 0.284 nan 8.250 nan 0.000 0.487 130 V N 2.660 122.558 119.914 -0.027 0.000 2.324 130 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 130 V C 2.272 178.421 176.094 0.092 0.000 1.060 130 V CA 2.528 64.900 62.300 0.120 0.000 1.042 130 V CB -0.761 31.019 31.823 -0.071 0.000 0.650 130 V HN 1.044 nan 8.190 nan 0.000 0.450 131 G N -1.162 107.627 108.800 -0.019 0.000 2.432 131 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.219 131 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.219 131 G C 1.476 176.380 174.900 0.006 0.000 1.135 131 G CA 0.831 45.923 45.100 -0.014 0.000 0.767 131 G HN 0.578 nan 8.290 nan 0.000 0.550 132 E N -0.246 119.960 120.200 0.011 0.000 2.072 132 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 132 E C 2.729 179.343 176.600 0.023 0.000 0.985 132 E CA 0.826 57.239 56.400 0.021 0.000 0.801 132 E CB -0.055 29.666 29.700 0.036 0.000 0.750 132 E HN 0.297 nan 8.360 nan 0.000 0.452 133 V N 1.501 121.439 119.914 0.039 0.000 2.427 133 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 133 V C 2.034 178.116 176.094 -0.021 0.000 1.051 133 V CA 1.587 63.866 62.300 -0.035 0.000 1.048 133 V CB -0.342 31.362 31.823 -0.199 0.000 0.666 133 V HN 0.175 nan 8.190 nan 0.000 0.456 134 K N 0.040 120.460 120.400 0.033 0.000 2.063 134 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 134 K C 2.248 178.854 176.600 0.009 0.000 1.048 134 K CA 1.467 57.770 56.287 0.027 0.000 0.928 134 K CB -0.171 32.352 32.500 0.039 0.000 0.713 134 K HN 0.417 nan 8.250 nan 0.000 0.442 135 K N 0.062 120.467 120.400 0.007 0.000 2.062 135 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 135 K C 0.333 176.933 176.600 0.000 0.000 1.051 135 K CA 0.935 57.225 56.287 0.004 0.000 0.941 135 K CB 0.159 32.662 32.500 0.005 0.000 0.719 135 K HN 0.001 nan 8.250 nan 0.000 0.440 136 D N -0.375 120.022 120.400 -0.005 0.000 2.400 136 D HA 0.158 4.798 4.640 -0.000 0.000 0.272 136 D C -2.289 173.998 176.300 -0.022 0.000 1.220 136 D CA -2.337 51.658 54.000 -0.008 0.000 0.897 136 D CB 1.315 42.114 40.800 -0.002 0.000 1.134 136 D HN -0.207 nan 8.370 nan 0.000 0.507 137 P HA -0.024 nan 4.420 nan 0.000 0.221 137 P C 1.405 178.694 177.300 -0.019 0.000 1.145 137 P CA 0.759 63.830 63.100 -0.047 0.000 0.795 137 P CB 0.287 31.964 31.700 -0.038 0.000 0.775 138 G N -0.568 108.231 108.800 -0.003 0.000 2.559 138 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 138 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 138 G C 1.284 176.186 174.900 0.003 0.000 1.126 138 G CA 0.074 45.181 45.100 0.012 0.000 0.778 138 G HN 0.147 nan 8.290 nan 0.000 0.543 139 L N 0.356 121.572 121.223 -0.011 0.000 2.189 139 L HA 0.041 4.381 4.340 -0.000 0.000 0.214 139 L C 2.554 179.405 176.870 -0.033 0.000 1.097 139 L CA 1.120 55.950 54.840 -0.017 0.000 0.764 139 L CB -0.518 41.533 42.059 -0.013 0.000 0.900 139 L HN 0.251 nan 8.230 nan 0.000 0.436 140 L N -1.044 120.166 121.223 -0.023 0.000 2.592 140 L HA 0.002 4.342 4.340 -0.000 0.000 0.227 140 L C 0.804 177.602 176.870 -0.121 0.000 1.127 140 L CA 0.007 54.821 54.840 -0.044 0.000 0.884 140 L CB -0.172 41.922 42.059 0.057 0.000 1.065 140 L HN 0.263 nan 8.230 nan 0.000 0.457 141 K N -0.887 119.486 120.400 -0.046 0.000 3.129 141 K HA -0.228 4.092 4.320 -0.000 0.000 0.273 141 K C -0.734 175.801 176.600 -0.109 0.000 1.123 141 K CA 0.532 56.771 56.287 -0.080 0.000 0.800 141 K CB -2.046 30.381 32.500 -0.123 0.000 1.238 141 K HN 0.177 nan 8.250 nan 0.000 0.492 142 Y N 1.527 121.802 120.300 -0.043 0.000 2.377 142 Y HA 0.131 4.681 4.550 -0.000 0.000 0.330 142 Y C -1.467 174.421 175.900 -0.020 0.000 1.108 142 Y CA -2.062 56.021 58.100 -0.028 0.000 1.308 142 Y CB 0.280 38.727 38.460 -0.022 0.000 1.216 142 Y HN 0.003 nan 8.280 nan 0.000 0.518 143 P HA 0.084 nan 4.420 nan 0.000 0.271 143 P C -0.639 176.706 177.300 0.075 0.000 1.380 143 P CA 0.014 63.154 63.100 0.066 0.000 0.992 143 P CB 0.109 31.831 31.700 0.037 0.000 1.230 144 V N 1.242 121.193 119.914 0.062 0.000 3.193 144 V HA 0.544 4.664 4.120 -0.000 0.000 0.320 144 V C 0.334 176.443 176.094 0.024 0.000 1.112 144 V CA -1.205 61.120 62.300 0.043 0.000 1.026 144 V CB 1.376 33.221 31.823 0.037 0.000 1.128 144 V HN 0.175 nan 8.190 nan 0.000 0.452 145 K N 1.577 121.986 120.400 0.015 0.000 2.168 145 K HA 0.333 4.652 4.320 -0.000 0.000 0.258 145 K C -1.858 174.746 176.600 0.008 0.000 1.010 145 K CA -1.205 55.087 56.287 0.008 0.000 0.929 145 K CB 0.628 33.129 32.500 0.002 0.000 0.998 145 K HN 0.439 nan 8.250 nan 0.000 0.479 146 P HA -0.270 nan 4.420 nan 0.000 0.216 146 P C 1.152 178.454 177.300 0.004 0.000 1.157 146 P CA 1.645 64.748 63.100 0.005 0.000 0.880 146 P CB 0.067 31.768 31.700 0.003 0.000 0.791 147 S N -1.253 114.449 115.700 0.003 0.000 2.507 147 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 147 S C 1.604 176.207 174.600 0.004 0.000 0.988 147 S CA 0.971 59.172 58.200 0.002 0.000 0.944 147 S CB -0.896 62.304 63.200 0.000 0.000 0.762 147 S HN 0.278 nan 8.310 nan 0.000 0.526 148 E N 0.827 121.030 120.200 0.005 0.000 2.460 148 E HA 0.388 4.738 4.350 -0.000 0.000 0.200 148 E C 0.672 177.276 176.600 0.007 0.000 1.011 148 E CA 0.066 56.470 56.400 0.006 0.000 0.912 148 E CB 0.389 30.092 29.700 0.006 0.000 0.953 148 E HN 0.655 nan 8.360 nan 0.000 0.494 149 A N 0.541 123.366 122.820 0.008 0.000 2.498 149 A HA 0.370 4.689 4.320 -0.000 0.000 0.239 149 A C 1.334 178.922 177.584 0.007 0.000 1.068 149 A CA 0.796 52.839 52.037 0.009 0.000 0.766 149 A CB -0.285 18.720 19.000 0.009 0.000 1.003 149 A HN 0.343 nan 8.150 nan 0.000 0.497 150 G N 1.263 110.067 108.800 0.006 0.000 2.184 150 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 150 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 150 G C 0.203 175.104 174.900 0.002 0.000 0.975 150 G CA 0.896 45.998 45.100 0.003 0.000 0.642 150 G HN 0.862 nan 8.290 nan 0.000 0.536 151 K N 1.336 121.737 120.400 0.001 0.000 2.183 151 K HA 0.538 4.858 4.320 -0.000 0.000 0.274 151 K C 0.852 177.447 176.600 -0.008 0.000 1.009 151 K CA 0.135 56.423 56.287 0.002 0.000 0.888 151 K CB 1.506 34.010 32.500 0.007 0.000 1.078 151 K HN 0.401 nan 8.250 nan 0.000 0.459 152 S N 1.365 117.062 115.700 -0.005 0.000 2.584 152 S HA 0.115 4.585 4.470 -0.000 0.000 0.270 152 S C 1.410 176.001 174.600 -0.016 0.000 1.346 152 S CA -0.145 58.044 58.200 -0.017 0.000 1.018 152 S CB 1.358 64.557 63.200 -0.003 0.000 0.899 152 S HN 0.688 nan 8.310 nan 0.000 0.542 153 A N 2.580 125.375 122.820 -0.042 0.000 1.927 153 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 153 A C 2.235 179.843 177.584 0.040 0.000 1.185 153 A CA 2.080 54.100 52.037 -0.028 0.000 0.639 153 A CB -1.895 17.068 19.000 -0.062 0.000 0.820 153 A HN 1.223 nan 8.150 nan 0.000 0.451 154 G N -1.364 107.455 108.800 0.030 0.000 2.408 154 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 154 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 154 G C 1.604 176.559 174.900 0.092 0.000 1.150 154 G CA 0.947 46.076 45.100 0.049 0.000 0.776 154 G HN 0.659 nan 8.290 nan 0.000 0.542 155 Q N -0.298 119.538 119.800 0.061 0.000 2.046 155 Q HA 0.040 4.380 4.340 -0.000 0.000 0.200 155 Q C 2.667 178.716 176.000 0.081 0.000 0.975 155 Q CA 0.873 56.713 55.803 0.062 0.000 0.836 155 Q CB -0.255 28.505 28.738 0.036 0.000 0.896 155 Q HN 0.436 nan 8.270 nan 0.000 0.428 156 L N -0.606 120.663 121.223 0.076 0.000 2.046 156 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 156 L C 2.397 179.338 176.870 0.118 0.000 1.077 156 L CA 1.406 56.289 54.840 0.073 0.000 0.747 156 L CB -0.546 41.542 42.059 0.049 0.000 0.896 156 L HN 0.268 nan 8.230 nan 0.000 0.432 157 Y N 1.001 121.332 120.300 0.052 0.000 2.181 157 Y HA -0.318 4.232 4.550 -0.000 0.000 0.288 157 Y C 2.648 178.612 175.900 0.106 0.000 1.146 157 Y CA 1.976 60.133 58.100 0.097 0.000 1.164 157 Y CB 0.007 38.526 38.460 0.098 0.000 0.982 157 Y HN 0.174 nan 8.280 nan 0.000 0.515 158 E N 0.807 121.160 120.200 0.255 0.000 2.058 158 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 158 E C 1.897 178.541 176.600 0.073 0.000 0.997 158 E CA 2.270 58.776 56.400 0.177 0.000 0.801 158 E CB -0.334 29.457 29.700 0.151 0.000 0.746 158 E HN 0.658 nan 8.360 nan 0.000 0.450 159 E N -0.169 120.065 120.200 0.056 0.000 2.153 159 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 159 E C 2.048 178.652 176.600 0.006 0.000 0.988 159 E CA 1.182 57.600 56.400 0.030 0.000 0.811 159 E CB -0.217 29.499 29.700 0.026 0.000 0.746 159 E HN 0.405 nan 8.360 nan 0.000 0.466 160 S N 0.744 116.433 115.700 -0.018 0.000 2.442 160 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 160 S C 1.771 176.400 174.600 0.047 0.000 1.007 160 S CA 0.603 58.786 58.200 -0.027 0.000 0.965 160 S CB -0.084 63.078 63.200 -0.063 0.000 0.773 160 S HN 0.076 nan 8.310 nan 0.000 0.504 161 L N 2.149 123.374 121.223 0.003 0.000 2.552 161 L HA 0.282 4.622 4.340 -0.000 0.000 0.227 161 L C 2.486 179.375 176.870 0.031 0.000 1.146 161 L CA 0.523 55.371 54.840 0.014 0.000 0.858 161 L CB -1.735 40.305 42.059 -0.031 0.000 0.969 161 L HN 0.469 nan 8.230 nan 0.000 0.451 162 G N -0.013 108.806 108.800 0.031 0.000 2.574 162 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.220 162 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.220 162 G C 1.789 176.707 174.900 0.030 0.000 1.173 162 G CA 1.273 46.387 45.100 0.023 0.000 0.772 162 G HN 0.304 nan 8.290 nan 0.000 0.585 163 K N 0.322 120.751 120.400 0.049 0.000 2.044 163 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 163 K C 2.582 179.222 176.600 0.066 0.000 1.049 163 K CA 1.721 58.049 56.287 0.068 0.000 0.927 163 K CB -0.818 31.725 32.500 0.071 0.000 0.713 163 K HN 0.232 nan 8.250 nan 0.000 0.443 164 V N -0.055 119.841 119.914 -0.030 0.000 2.343 164 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 164 V C 2.342 178.417 176.094 -0.031 0.000 1.051 164 V CA 1.691 63.892 62.300 -0.166 0.000 1.036 164 V CB -0.455 31.115 31.823 -0.422 0.000 0.654 164 V HN 0.129 nan 8.190 nan 0.000 0.451 165 V N 0.128 120.027 119.914 -0.025 0.000 2.295 165 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 165 V C 2.466 178.563 176.094 0.006 0.000 1.049 165 V CA 2.160 64.452 62.300 -0.014 0.000 1.024 165 V CB -0.673 31.145 31.823 -0.008 0.000 0.648 165 V HN 0.582 nan 8.190 nan 0.000 0.447 166 E N -0.085 120.127 120.200 0.021 0.000 2.085 166 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 166 E C 2.235 178.860 176.600 0.042 0.000 0.994 166 E CA 1.591 58.007 56.400 0.027 0.000 0.801 166 E CB -0.144 29.575 29.700 0.032 0.000 0.743 166 E HN 0.654 nan 8.360 nan 0.000 0.453 167 E N 0.329 120.582 120.200 0.087 0.000 2.150 167 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 167 E C 1.922 178.577 176.600 0.093 0.000 0.985 167 E CA 0.443 56.921 56.400 0.130 0.000 0.814 167 E CB 0.029 29.899 29.700 0.284 0.000 0.752 167 E HN 0.109 nan 8.360 nan 0.000 0.466 168 L N 1.241 122.506 121.223 0.070 0.000 2.046 168 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 168 L C 1.769 178.633 176.870 -0.010 0.000 1.077 168 L CA 1.900 56.757 54.840 0.027 0.000 0.747 168 L CB -0.258 41.791 42.059 -0.017 0.000 0.896 168 L HN -0.050 nan 8.230 nan 0.000 0.432 169 K N -0.812 119.580 120.400 -0.014 0.000 2.097 169 K HA -0.185 4.134 4.320 -0.000 0.000 0.206 169 K C 2.304 178.882 176.600 -0.036 0.000 1.049 169 K CA 1.517 57.788 56.287 -0.026 0.000 0.933 169 K CB -0.211 32.277 32.500 -0.019 0.000 0.717 169 K HN 0.292 nan 8.250 nan 0.000 0.442 170 R N 0.628 121.105 120.500 -0.039 0.000 2.193 170 R HA -0.073 4.267 4.340 -0.000 0.000 0.213 170 R C 1.354 177.582 176.300 -0.120 0.000 1.055 170 R CA 1.587 57.647 56.100 -0.067 0.000 0.995 170 R CB 0.215 30.481 30.300 -0.056 0.000 0.893 170 R HN 0.349 nan 8.270 nan 0.000 0.459 171 T N -2.628 111.853 114.554 -0.121 0.000 1.812 171 T HA 0.300 4.650 4.350 -0.000 0.000 0.173 171 T C -0.540 174.114 174.700 -0.076 0.000 0.710 171 T CA -0.250 61.743 62.100 -0.179 0.000 1.065 171 T CB 0.244 68.875 68.868 -0.396 0.000 3.214 171 T HN 0.339 nan 8.240 nan 0.000 0.403 172 N N -1.863 116.829 118.700 -0.013 0.000 3.227 172 N HA 0.355 5.094 4.740 -0.000 0.000 0.241 172 N C 0.341 175.867 175.510 0.027 0.000 1.480 172 N CA -0.367 52.682 53.050 -0.000 0.000 0.886 172 N CB 0.430 38.915 38.487 -0.003 0.000 1.406 172 N HN 0.474 nan 8.380 nan 0.000 0.514 173 c N -0.172 118.411 118.600 -0.029 0.000 2.413 173 c HA -0.133 4.437 4.570 -0.000 0.000 0.276 173 c C 2.833 176.902 174.090 -0.035 0.000 1.236 173 c CA 1.849 58.132 56.329 -0.077 0.000 1.735 173 c CB -1.558 40.868 42.510 -0.139 0.000 2.031 173 c HN 0.878 nan 8.230 nan 0.000 0.474 174 S N -0.385 115.315 115.700 0.001 0.000 2.399 174 S HA -0.258 4.212 4.470 -0.000 0.000 0.231 174 S C 1.723 176.351 174.600 0.046 0.000 1.022 174 S CA 1.703 59.912 58.200 0.015 0.000 0.983 174 S CB -0.941 62.277 63.200 0.031 0.000 0.803 174 S HN 0.714 nan 8.310 nan 0.000 0.480 175 Y N 3.310 123.594 120.300 -0.026 0.000 2.133 175 Y HA -0.032 4.518 4.550 -0.000 0.000 0.287 175 Y C 2.145 178.036 175.900 -0.016 0.000 1.134 175 Y CA 1.732 59.822 58.100 -0.018 0.000 1.133 175 Y CB -0.410 38.044 38.460 -0.010 0.000 0.987 175 Y HN 0.409 nan 8.280 nan 0.000 0.502 176 I N -2.648 118.019 120.570 0.161 0.000 2.439 176 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 176 I C 1.717 177.882 176.117 0.080 0.000 1.139 176 I CA 1.020 62.418 61.300 0.164 0.000 1.438 176 I CB -0.580 37.583 38.000 0.273 0.000 1.085 176 I HN 0.138 nan 8.210 nan 0.000 0.427 177 L N 1.744 122.958 121.223 -0.015 0.000 2.027 177 L HA -0.118 4.221 4.340 -0.000 0.000 0.206 177 L C 2.381 179.207 176.870 -0.074 0.000 1.074 177 L CA 1.630 56.437 54.840 -0.056 0.000 0.745 177 L CB -1.626 40.373 42.059 -0.100 0.000 0.898 177 L HN 0.343 nan 8.230 nan 0.000 0.433 178 N N -0.306 118.326 118.700 -0.114 0.000 2.106 178 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 178 N C 1.859 177.224 175.510 -0.241 0.000 1.029 178 N CA 1.149 54.109 53.050 -0.151 0.000 0.848 178 N CB -0.150 38.249 38.487 -0.147 0.000 1.007 178 N HN 0.343 nan 8.380 nan 0.000 0.423 179 K N -0.043 120.131 120.400 -0.376 0.000 2.026 179 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 179 K C 1.339 177.694 176.600 -0.408 0.000 1.048 179 K CA 1.258 57.245 56.287 -0.500 0.000 0.929 179 K CB -0.165 31.860 32.500 -0.792 0.000 0.713 179 K HN 0.144 nan 8.250 nan 0.000 0.439 180 Y N 0.581 120.884 120.300 0.005 0.000 2.546 180 Y HA -0.028 4.522 4.550 -0.000 0.000 0.287 180 Y C 1.542 177.538 175.900 0.161 0.000 1.158 180 Y CA 0.808 58.974 58.100 0.110 0.000 1.307 180 Y CB -0.118 38.377 38.460 0.059 0.000 1.036 180 Y HN 0.295 nan 8.280 nan 0.000 0.532 181 D N -0.471 119.986 120.400 0.095 0.000 2.317 181 D HA -0.118 4.522 4.640 -0.000 0.000 0.211 181 D C 2.008 178.206 176.300 -0.170 0.000 0.966 181 D CA 1.429 55.464 54.000 0.058 0.000 0.876 181 D CB -0.011 40.812 40.800 0.038 0.000 0.927 181 D HN 0.298 nan 8.370 nan 0.000 0.519 182 T N -2.817 111.568 114.554 -0.283 0.000 3.113 182 T HA 0.016 4.366 4.350 -0.000 0.000 0.256 182 T C 0.341 174.921 174.700 -0.199 0.000 1.131 182 T CA 0.016 61.742 62.100 -0.624 0.000 1.074 182 T CB -0.392 68.132 68.868 -0.573 0.000 0.944 182 T HN -0.049 nan 8.240 nan 0.000 0.516 183 Y N 2.459 122.750 120.300 -0.016 0.000 2.420 183 Y HA 0.560 5.110 4.550 -0.000 0.000 0.334 183 Y C 0.935 176.943 175.900 0.180 0.000 1.094 183 Y CA -1.375 56.797 58.100 0.120 0.000 1.126 183 Y CB 1.630 40.233 38.460 0.238 0.000 1.217 183 Y HN 0.195 nan 8.280 nan 0.000 0.462 184 S N -0.552 115.330 115.700 0.303 0.000 2.632 184 S HA 0.171 4.641 4.470 -0.000 0.000 0.267 184 S C 0.871 175.657 174.600 0.311 0.000 1.276 184 S CA -0.349 58.028 58.200 0.296 0.000 0.998 184 S CB 1.251 64.591 63.200 0.233 0.000 0.953 184 S HN 0.714 nan 8.310 nan 0.000 0.547 185 T N 1.257 116.022 114.554 0.353 0.000 2.684 185 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 185 T C 1.723 176.476 174.700 0.088 0.000 1.036 185 T CA 1.789 64.110 62.100 0.369 0.000 1.148 185 T CB -0.437 68.789 68.868 0.595 0.000 0.863 185 T HN 0.757 nan 8.240 nan 0.000 0.436 186 K N 0.921 121.293 120.400 -0.048 0.000 2.057 186 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 186 K C 2.387 178.876 176.600 -0.185 0.000 1.049 186 K CA 1.576 57.602 56.287 -0.434 0.000 0.931 186 K CB -0.106 32.049 32.500 -0.574 0.000 0.714 186 K HN 0.415 nan 8.250 nan 0.000 0.440 187 E N -0.472 119.713 120.200 -0.025 0.000 2.058 187 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 187 E C 1.938 178.584 176.600 0.076 0.000 0.997 187 E CA 1.539 57.969 56.400 0.050 0.000 0.801 187 E CB -0.290 29.487 29.700 0.128 0.000 0.746 187 E HN 0.455 nan 8.360 nan 0.000 0.450 188 Y N 1.156 121.425 120.300 -0.052 0.000 2.097 188 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 188 Y C 2.050 177.730 175.900 -0.367 0.000 1.152 188 Y CA 1.924 59.813 58.100 -0.351 0.000 1.136 188 Y CB -0.296 37.506 38.460 -1.096 0.000 0.975 188 Y HN 0.034 nan 8.280 nan 0.000 0.498 189 L N -0.381 120.664 121.223 -0.297 0.000 2.079 189 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 189 L C 2.341 179.045 176.870 -0.276 0.000 1.081 189 L CA 1.556 56.241 54.840 -0.258 0.000 0.752 189 L CB -0.505 41.493 42.059 -0.101 0.000 0.896 189 L HN 0.341 nan 8.230 nan 0.000 0.433 190 I N -0.689 119.746 120.570 -0.225 0.000 2.339 190 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 190 I C 2.439 178.457 176.117 -0.166 0.000 1.096 190 I CA 1.132 62.334 61.300 -0.163 0.000 1.408 190 I CB -0.113 37.818 38.000 -0.115 0.000 1.092 190 I HN 0.114 nan 8.210 nan 0.000 0.423 191 K N 0.191 120.494 120.400 -0.163 0.000 2.167 191 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 191 K C 1.511 177.995 176.600 -0.192 0.000 1.052 191 K CA 0.910 57.134 56.287 -0.106 0.000 0.956 191 K CB 0.209 32.727 32.500 0.031 0.000 0.735 191 K HN 0.211 nan 8.250 nan 0.000 0.451 192 E N -1.144 118.790 120.200 -0.443 0.000 2.508 192 E HA 0.059 4.409 4.350 -0.000 0.000 0.217 192 E C 1.733 177.970 176.600 -0.605 0.000 0.896 192 E CA 0.261 56.327 56.400 -0.556 0.000 1.118 192 E CB 0.864 30.090 29.700 -0.790 0.000 1.133 192 E HN 0.297 nan 8.360 nan 0.000 0.526 193 G N 1.821 110.225 108.800 -0.660 0.000 2.623 193 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 193 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 193 G C 0.800 175.577 174.900 -0.204 0.000 1.138 193 G CA 0.920 45.773 45.100 -0.412 0.000 0.794 193 G HN 0.258 nan 8.290 nan 0.000 0.535 194 D N -1.169 119.119 120.400 -0.187 0.000 2.328 194 D HA -0.222 4.418 4.640 -0.000 0.000 0.167 194 D C 0.744 176.996 176.300 -0.080 0.000 1.205 194 D CA 0.683 54.617 54.000 -0.109 0.000 1.128 194 D CB -1.772 38.980 40.800 -0.079 0.000 1.157 194 D HN 0.344 nan 8.370 nan 0.000 0.468 195 L N 2.025 123.199 121.223 -0.083 0.000 2.593 195 L HA 0.069 4.409 4.340 -0.000 0.000 0.287 195 L C 1.537 178.385 176.870 -0.038 0.000 1.243 195 L CA 0.781 55.591 54.840 -0.049 0.000 0.890 195 L CB 0.249 42.284 42.059 -0.040 0.000 1.134 195 L HN 0.360 nan 8.230 nan 0.000 0.502 196 S N 2.507 118.197 115.700 -0.017 0.000 2.584 196 S HA 0.168 4.638 4.470 -0.000 0.000 0.270 196 S C -1.725 172.878 174.600 0.005 0.000 1.346 196 S CA -1.113 57.084 58.200 -0.005 0.000 1.018 196 S CB 0.808 64.013 63.200 0.008 0.000 0.899 196 S HN 0.446 nan 8.310 nan 0.000 0.542 197 P HA -0.005 nan 4.420 nan 0.000 0.216 197 P C 1.701 179.039 177.300 0.064 0.000 1.150 197 P CA 1.664 64.780 63.100 0.028 0.000 0.843 197 P CB -0.475 31.241 31.700 0.027 0.000 0.787 198 G N -0.095 108.752 108.800 0.077 0.000 2.408 198 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 198 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 198 G C 1.647 176.594 174.900 0.080 0.000 1.150 198 G CA 0.849 46.032 45.100 0.138 0.000 0.776 198 G HN 0.323 nan 8.290 nan 0.000 0.542 199 A N 0.174 123.010 122.820 0.027 0.000 1.933 199 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 199 A C 2.591 180.177 177.584 0.002 0.000 1.175 199 A CA 1.739 53.766 52.037 -0.017 0.000 0.628 199 A CB -0.552 18.448 19.000 -0.001 0.000 0.814 199 A HN 0.241 nan 8.150 nan 0.000 0.444 200 V N 0.634 120.573 119.914 0.043 0.000 2.295 200 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 200 V C 2.193 178.394 176.094 0.179 0.000 1.049 200 V CA 2.281 64.641 62.300 0.100 0.000 1.024 200 V CB -0.861 30.974 31.823 0.020 0.000 0.648 200 V HN 0.483 nan 8.190 nan 0.000 0.447 201 D N -0.510 119.974 120.400 0.140 0.000 2.133 201 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 201 D C 2.047 178.345 176.300 -0.004 0.000 0.997 201 D CA 1.686 55.796 54.000 0.182 0.000 0.840 201 D CB -0.283 40.694 40.800 0.294 0.000 0.947 201 D HN 0.363 nan 8.370 nan 0.000 0.452 202 M N -0.058 119.323 119.600 -0.366 0.000 2.086 202 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 202 M C 2.110 178.242 176.300 -0.280 0.000 1.067 202 M CA 1.220 56.039 55.300 -0.802 0.000 1.116 202 M CB -0.026 32.054 32.600 -0.867 0.000 1.348 202 M HN -0.042 nan 8.290 nan 0.000 0.407 203 I N -0.188 120.336 120.570 -0.076 0.000 2.163 203 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 203 I C 2.512 178.644 176.117 0.025 0.000 1.085 203 I CA 1.522 62.852 61.300 0.049 0.000 1.347 203 I CB -0.991 37.141 38.000 0.220 0.000 1.044 203 I HN 0.446 nan 8.210 nan 0.000 0.408 204 G N 0.333 109.168 108.800 0.059 0.000 2.421 204 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 204 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 204 G C 1.238 176.092 174.900 -0.077 0.000 1.171 204 G CA 1.045 46.043 45.100 -0.171 0.000 0.775 204 G HN 0.282 nan 8.290 nan 0.000 0.543 205 D N 0.417 120.825 120.400 0.013 0.000 2.084 205 D HA -0.036 4.604 4.640 -0.000 0.000 0.196 205 D C 2.618 178.976 176.300 0.095 0.000 0.985 205 D CA 0.681 54.715 54.000 0.057 0.000 0.826 205 D CB -0.255 40.632 40.800 0.144 0.000 0.978 205 D HN 0.322 nan 8.370 nan 0.000 0.456 206 L N -0.354 120.916 121.223 0.079 0.000 2.307 206 L HA 0.135 4.475 4.340 -0.000 0.000 0.211 206 L C 1.676 178.649 176.870 0.172 0.000 1.099 206 L CA 0.343 55.289 54.840 0.176 0.000 0.816 206 L CB 0.075 42.204 42.059 0.116 0.000 0.952 206 L HN -0.040 nan 8.230 nan 0.000 0.455 207 L N -0.574 120.676 121.223 0.045 0.000 2.769 207 L HA 0.174 4.514 4.340 -0.000 0.000 0.240 207 L C 0.423 177.200 176.870 -0.154 0.000 1.163 207 L CA -0.017 54.777 54.840 -0.076 0.000 0.962 207 L CB -0.362 41.617 42.059 -0.132 0.000 1.258 207 L HN 0.389 nan 8.230 nan 0.000 0.513 208 N N 1.039 119.728 118.700 -0.019 0.000 2.754 208 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 208 N C 0.838 176.231 175.510 -0.195 0.000 1.093 208 N CA 0.245 53.240 53.050 -0.092 0.000 0.699 208 N CB -0.000 38.188 38.487 -0.498 0.000 1.016 208 N HN 0.363 nan 8.380 nan 0.000 0.552 209 E N -0.027 120.031 120.200 -0.237 0.000 2.364 209 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 209 E C 1.274 177.444 176.600 -0.717 0.000 0.990 209 E CA 0.012 56.185 56.400 -0.378 0.000 0.886 209 E CB -0.082 29.438 29.700 -0.300 0.000 0.866 209 E HN 0.497 nan 8.360 nan 0.000 0.493 210 D N 0.969 121.006 120.400 -0.604 0.000 2.116 210 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 210 D C 1.523 177.717 176.300 -0.177 0.000 0.998 210 D CA 1.031 54.728 54.000 -0.504 0.000 0.836 210 D CB 0.351 41.059 40.800 -0.152 0.000 0.951 210 D HN -0.037 nan 8.370 nan 0.000 0.449 211 S N -0.863 114.786 115.700 -0.084 0.000 2.474 211 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 211 S C 1.564 176.174 174.600 0.017 0.000 0.997 211 S CA 0.854 59.079 58.200 0.041 0.000 0.949 211 S CB 0.214 63.441 63.200 0.045 0.000 0.766 211 S HN 0.423 nan 8.310 nan 0.000 0.517 212 G N -1.166 107.575 108.800 -0.098 0.000 3.502 212 G HA2 0.115 4.075 3.960 -0.000 0.000 0.267 212 G HA3 0.115 4.075 3.960 -0.000 0.000 0.267 212 G C 0.533 175.402 174.900 -0.051 0.000 1.090 212 G CA -0.231 44.783 45.100 -0.144 0.000 0.795 212 G HN 0.357 nan 8.290 nan 0.000 0.535 213 Y N 0.685 120.977 120.300 -0.013 0.000 2.439 213 Y HA -0.047 4.502 4.550 -0.000 0.000 0.292 213 Y C 2.118 178.082 175.900 0.106 0.000 1.130 213 Y CA -0.145 58.009 58.100 0.089 0.000 1.254 213 Y CB -0.127 38.421 38.460 0.146 0.000 1.000 213 Y HN 0.602 nan 8.280 nan 0.000 0.554 214 Y N -1.458 119.017 120.300 0.292 0.000 2.457 214 Y HA 0.391 4.941 4.550 -0.000 0.000 0.263 214 Y C 0.698 176.710 175.900 0.187 0.000 1.164 214 Y CA -1.000 57.218 58.100 0.196 0.000 1.274 214 Y CB -1.176 37.365 38.460 0.135 0.000 1.097 214 Y HN -0.173 nan 8.280 nan 0.000 0.523 215 V N -0.806 118.979 119.914 -0.214 0.000 3.214 215 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 215 V C 0.754 176.975 176.094 0.211 0.000 1.078 215 V CA -0.796 61.496 62.300 -0.014 0.000 1.077 215 V CB 1.137 32.918 31.823 -0.070 0.000 1.121 215 V HN 0.316 nan 8.190 nan 0.000 0.468 216 S N 0.972 116.843 115.700 0.284 0.000 2.563 216 S HA 0.017 4.487 4.470 -0.000 0.000 0.294 216 S C 0.528 175.364 174.600 0.395 0.000 1.279 216 S CA -0.004 58.410 58.200 0.356 0.000 1.069 216 S CB -0.494 62.989 63.200 0.470 0.000 0.828 216 S HN 0.902 nan 8.310 nan 0.000 0.497 217 F N 6.152 126.240 119.950 0.229 0.000 2.250 217 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 217 F C 1.532 177.401 175.800 0.114 0.000 1.077 217 F CA 0.990 59.093 58.000 0.172 0.000 1.348 217 F CB -0.330 38.752 39.000 0.136 0.000 1.040 217 F HN 0.653 nan 8.300 nan 0.000 0.509 218 I N 0.445 121.043 120.570 0.048 0.000 2.264 218 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 218 I C 2.313 178.329 176.117 -0.168 0.000 1.111 218 I CA 1.186 62.382 61.300 -0.173 0.000 1.382 218 I CB -1.387 36.425 38.000 -0.314 0.000 1.060 218 I HN 0.189 nan 8.210 nan 0.000 0.418 219 E N 0.214 120.493 120.200 0.132 0.000 2.077 219 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 219 E C 2.336 178.985 176.600 0.080 0.000 0.989 219 E CA 1.483 57.977 56.400 0.157 0.000 0.800 219 E CB -0.296 29.594 29.700 0.316 0.000 0.746 219 E HN 0.383 nan 8.360 nan 0.000 0.452 220 S N 0.443 116.189 115.700 0.077 0.000 2.368 220 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 220 S C 2.133 176.685 174.600 -0.080 0.000 1.030 220 S CA 0.674 58.939 58.200 0.108 0.000 0.999 220 S CB -0.143 63.253 63.200 0.327 0.000 0.844 220 S HN 0.149 nan 8.310 nan 0.000 0.459 221 L N 0.704 121.676 121.223 -0.418 0.000 2.046 221 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 221 L C 2.637 179.069 176.870 -0.730 0.000 1.077 221 L CA 1.400 55.929 54.840 -0.519 0.000 0.747 221 L CB -0.432 41.272 42.059 -0.592 0.000 0.896 221 L HN 0.281 nan 8.230 nan 0.000 0.432 222 K N -1.131 118.781 120.400 -0.814 0.000 2.148 222 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 222 K C 2.076 178.380 176.600 -0.493 0.000 1.050 222 K CA 0.916 56.672 56.287 -0.886 0.000 0.942 222 K CB -0.098 31.977 32.500 -0.708 0.000 0.724 222 K HN 0.377 nan 8.250 nan 0.000 0.446 223 H N 0.037 119.041 119.070 -0.111 0.000 2.470 223 H HA -0.062 4.494 4.556 -0.000 0.000 0.289 223 H C 1.604 176.994 175.328 0.104 0.000 1.033 223 H CA 1.258 57.370 56.048 0.107 0.000 1.331 223 H CB 0.021 29.932 29.762 0.248 0.000 1.414 223 H HN 0.323 nan 8.280 nan 0.000 0.545 224 D N 0.824 121.284 120.400 0.099 0.000 2.144 224 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 224 D C 1.887 178.277 176.300 0.150 0.000 0.984 224 D CA 1.274 55.332 54.000 0.096 0.000 0.834 224 D CB -0.023 40.864 40.800 0.145 0.000 0.955 224 D HN 0.185 nan 8.370 nan 0.000 0.465 225 D N -0.871 119.536 120.400 0.011 0.000 2.149 225 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 225 D C 1.900 178.223 176.300 0.038 0.000 0.990 225 D CA 1.158 55.181 54.000 0.039 0.000 0.839 225 D CB -0.050 40.614 40.800 -0.227 0.000 0.948 225 D HN 0.393 nan 8.370 nan 0.000 0.460 226 I N -1.222 119.273 120.570 -0.125 0.000 2.260 226 I HA -0.092 4.078 4.170 -0.000 0.000 0.237 226 I C 1.797 177.851 176.117 -0.105 0.000 1.075 226 I CA 0.459 61.577 61.300 -0.304 0.000 1.376 226 I CB -0.287 37.297 38.000 -0.694 0.000 1.107 226 I HN -0.038 nan 8.210 nan 0.000 0.420 227 F N 0.740 120.782 119.950 0.153 0.000 2.293 227 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 227 F C 2.429 178.243 175.800 0.023 0.000 1.086 227 F CA 0.905 59.001 58.000 0.160 0.000 1.375 227 F CB -0.267 38.780 39.000 0.079 0.000 1.045 227 F HN 0.026 nan 8.300 nan 0.000 0.516 228 A N -1.880 120.969 122.820 0.048 0.000 2.178 228 A HA 0.007 4.327 4.320 -0.000 0.000 0.211 228 A C 1.105 178.329 177.584 -0.600 0.000 1.157 228 A CA 0.789 52.646 52.037 -0.299 0.000 0.780 228 A CB -0.574 18.145 19.000 -0.468 0.000 0.828 228 A HN 0.494 nan 8.150 nan 0.000 0.476 229 Y N -1.375 118.952 120.300 0.046 0.000 2.423 229 Y HA 0.258 4.808 4.550 -0.000 0.000 0.257 229 Y C 0.580 176.456 175.900 -0.039 0.000 1.087 229 Y CA -0.314 57.785 58.100 -0.002 0.000 1.258 229 Y CB 0.597 39.035 38.460 -0.036 0.000 1.237 229 Y HN 0.241 nan 8.280 nan 0.000 0.517 230 E N 1.688 121.914 120.200 0.044 0.000 2.152 230 E HA 0.168 4.518 4.350 -0.000 0.000 0.285 230 E C 0.243 176.854 176.600 0.018 0.000 1.043 230 E CA 0.085 56.419 56.400 -0.110 0.000 0.839 230 E CB 0.769 30.188 29.700 -0.469 0.000 1.069 230 E HN 0.154 nan 8.360 nan 0.000 0.399 231 K N 3.052 123.449 120.400 -0.005 0.000 2.400 231 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 231 K C 0.223 176.881 176.600 0.097 0.000 1.033 231 K CA 0.110 56.440 56.287 0.072 0.000 1.021 231 K CB 0.347 32.875 32.500 0.047 0.000 0.808 231 K HN 0.130 nan 8.250 nan 0.000 0.505 232 R N 0.531 121.016 120.500 -0.025 0.000 2.502 232 R HA 0.311 4.651 4.340 -0.000 0.000 0.300 232 R C -1.755 174.449 176.300 -0.159 0.000 0.984 232 R CA -0.404 55.704 56.100 0.013 0.000 0.882 232 R CB 0.405 30.694 30.300 -0.019 0.000 1.180 232 R HN -0.234 nan 8.270 nan 0.000 0.444 233 F N 1.612 121.617 119.950 0.092 0.000 2.538 233 F HA 0.552 5.079 4.527 -0.000 0.000 0.325 233 F C 0.127 176.022 175.800 0.159 0.000 1.066 233 F CA -0.396 57.663 58.000 0.098 0.000 0.946 233 F CB 2.200 41.297 39.000 0.161 0.000 1.199 233 F HN 0.355 nan 8.300 nan 0.000 0.473 234 D N 0.477 121.056 120.400 0.299 0.000 2.547 234 D HA 0.282 4.922 4.640 -0.000 0.000 0.231 234 D C -1.115 175.338 176.300 0.255 0.000 1.099 234 D CA -0.517 53.644 54.000 0.269 0.000 0.901 234 D CB 2.794 43.695 40.800 0.168 0.000 1.478 234 D HN 0.667 nan 8.370 nan 0.000 0.471 235 E N 0.333 120.707 120.200 0.289 0.000 2.235 235 E HA 0.545 4.895 4.350 -0.000 0.000 0.265 235 E C -0.548 176.166 176.600 0.189 0.000 0.940 235 E CA -0.812 55.737 56.400 0.250 0.000 0.819 235 E CB 1.787 31.719 29.700 0.387 0.000 1.206 235 E HN 0.297 nan 8.360 nan 0.000 0.409 236 I N 2.225 122.878 120.570 0.138 0.000 2.396 236 I HA 0.057 4.227 4.170 -0.000 0.000 0.289 236 I C -0.024 176.138 176.117 0.074 0.000 1.056 236 I CA -0.850 60.506 61.300 0.093 0.000 1.365 236 I CB 1.227 39.261 38.000 0.057 0.000 1.407 236 I HN 0.374 nan 8.210 nan 0.000 0.509 237 V N 6.982 126.949 119.914 0.088 0.000 2.694 237 V HA -0.090 4.030 4.120 -0.000 0.000 0.306 237 V C 0.597 176.703 176.094 0.020 0.000 1.054 237 V CA 0.694 63.048 62.300 0.091 0.000 1.161 237 V CB 0.212 32.098 31.823 0.104 0.000 0.916 237 V HN 0.925 nan 8.190 nan 0.000 0.490 238 D N 2.212 122.626 120.400 0.024 0.000 3.090 238 D HA -0.128 4.512 4.640 -0.000 0.000 0.215 238 D C 0.436 176.392 176.300 -0.574 0.000 1.140 238 D CA 1.729 55.663 54.000 -0.110 0.000 0.937 238 D CB -1.344 39.452 40.800 -0.008 0.000 1.108 238 D HN 1.617 nan 8.370 nan 0.000 0.420 239 G N -0.911 107.466 108.800 -0.704 0.000 2.885 239 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.685 239 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.685 239 G C 0.710 175.460 174.900 -0.250 0.000 1.216 239 G CA -0.043 44.621 45.100 -0.727 0.000 0.790 239 G HN -0.042 nan 8.290 nan 0.000 0.631 240 M N 1.323 120.852 119.600 -0.118 0.000 2.279 240 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 240 M C 2.247 178.527 176.300 -0.032 0.000 1.062 240 M CA 2.234 57.520 55.300 -0.023 0.000 1.099 240 M CB -0.942 31.676 32.600 0.030 0.000 1.394 240 M HN 0.839 nan 8.290 nan 0.000 0.426 241 D N -0.158 120.206 120.400 -0.060 0.000 2.371 241 D HA -0.132 4.508 4.640 -0.000 0.000 0.221 241 D C 1.449 177.711 176.300 -0.063 0.000 0.986 241 D CA 0.689 54.660 54.000 -0.050 0.000 0.899 241 D CB -0.357 40.412 40.800 -0.051 0.000 0.902 241 D HN 0.125 nan 8.370 nan 0.000 0.530 242 K N 0.033 120.388 120.400 -0.075 0.000 2.152 242 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 242 K C 1.945 178.515 176.600 -0.050 0.000 1.048 242 K CA 0.451 56.701 56.287 -0.061 0.000 0.933 242 K CB -0.492 31.978 32.500 -0.051 0.000 0.721 242 K HN 0.295 nan 8.250 nan 0.000 0.447 243 L N 2.017 123.226 121.223 -0.022 0.000 1.973 243 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 243 L C -1.110 175.703 176.870 -0.094 0.000 1.073 243 L CA 1.819 56.654 54.840 -0.008 0.000 0.746 243 L CB -1.426 40.666 42.059 0.055 0.000 0.891 243 L HN 0.035 nan 8.230 nan 0.000 0.433 244 P HA -0.129 nan 4.420 nan 0.000 0.218 244 P C 1.490 178.760 177.300 -0.050 0.000 1.148 244 P CA 1.791 64.852 63.100 -0.064 0.000 0.822 244 P CB -0.293 31.390 31.700 -0.029 0.000 0.784 245 T N 0.344 114.869 114.554 -0.048 0.000 2.684 245 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 245 T C 2.076 176.746 174.700 -0.049 0.000 1.036 245 T CA 1.922 64.031 62.100 0.015 0.000 1.148 245 T CB -0.851 68.010 68.868 -0.013 0.000 0.863 245 T HN 0.103 nan 8.240 nan 0.000 0.436 246 A N 1.104 123.776 122.820 -0.246 0.000 1.902 246 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 246 A C 2.319 179.412 177.584 -0.818 0.000 1.181 246 A CA 1.709 53.442 52.037 -0.508 0.000 0.623 246 A CB -0.703 17.928 19.000 -0.616 0.000 0.818 246 A HN 0.499 nan 8.150 nan 0.000 0.443 247 M N -1.745 117.345 119.600 -0.850 0.000 2.117 247 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 247 M C 2.148 178.382 176.300 -0.110 0.000 1.065 247 M CA 2.232 57.187 55.300 -0.575 0.000 1.114 247 M CB -0.322 32.063 32.600 -0.359 0.000 1.361 247 M HN 0.604 nan 8.290 nan 0.000 0.408 248 Y N 0.849 121.062 120.300 -0.145 0.000 2.165 248 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 248 Y C 2.176 178.060 175.900 -0.025 0.000 1.155 248 Y CA 1.685 59.764 58.100 -0.036 0.000 1.164 248 Y CB -0.456 38.017 38.460 0.021 0.000 0.978 248 Y HN 0.139 nan 8.280 nan 0.000 0.513 249 R N 0.566 120.806 120.500 -0.434 0.000 2.105 249 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 249 R C 1.663 177.791 176.300 -0.287 0.000 1.135 249 R CA 1.768 57.591 56.100 -0.461 0.000 0.967 249 R CB -0.906 29.264 30.300 -0.218 0.000 0.861 249 R HN 0.475 nan 8.270 nan 0.000 0.442 250 D N 0.218 120.541 120.400 -0.129 0.000 2.264 250 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 250 D C 1.339 177.600 176.300 -0.065 0.000 0.966 250 D CA 0.813 54.813 54.000 -0.000 0.000 0.864 250 D CB 0.161 41.120 40.800 0.265 0.000 0.933 250 D HN 0.431 nan 8.370 nan 0.000 0.499 251 I N -2.756 117.747 120.570 -0.113 0.000 3.833 251 I HA 0.252 4.422 4.170 -0.000 0.000 0.328 251 I C 1.396 177.398 176.117 -0.191 0.000 1.554 251 I CA -0.413 60.820 61.300 -0.112 0.000 1.116 251 I CB 0.190 38.172 38.000 -0.030 0.000 1.182 251 I HN -0.194 nan 8.210 nan 0.000 0.459 252 Q N 2.918 122.501 119.800 -0.362 0.000 2.103 252 Q HA -0.289 4.051 4.340 -0.000 0.000 0.213 252 Q C 1.574 177.457 176.000 -0.194 0.000 1.008 252 Q CA 3.021 58.542 55.803 -0.469 0.000 0.879 252 Q CB -0.027 28.442 28.738 -0.448 0.000 0.946 252 Q HN 0.828 nan 8.270 nan 0.000 0.413 253 D N -0.821 119.486 120.400 -0.156 0.000 2.371 253 D HA -0.125 4.515 4.640 -0.000 0.000 0.221 253 D C 0.757 176.962 176.300 -0.158 0.000 0.986 253 D CA 0.874 54.797 54.000 -0.128 0.000 0.899 253 D CB -0.070 40.683 40.800 -0.079 0.000 0.902 253 D HN 0.318 nan 8.370 nan 0.000 0.530 254 K N -0.196 120.118 120.400 -0.143 0.000 2.367 254 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 254 K C -0.115 176.386 176.600 -0.164 0.000 1.027 254 K CA -0.040 56.193 56.287 -0.090 0.000 1.075 254 K CB 1.528 34.012 32.500 -0.025 0.000 0.845 254 K HN -0.023 nan 8.250 nan 0.000 0.529 255 V N 2.529 122.259 119.914 -0.307 0.000 2.417 255 V HA 0.198 4.318 4.120 -0.000 0.000 0.291 255 V C -0.504 175.154 176.094 -0.727 0.000 1.024 255 V CA -0.889 61.185 62.300 -0.376 0.000 0.861 255 V CB 1.181 32.884 31.823 -0.199 0.000 0.985 255 V HN 0.233 nan 8.190 nan 0.000 0.436 256 H N 4.644 123.421 119.070 -0.487 0.000 2.539 256 H HA 0.473 5.029 4.556 -0.000 0.000 0.332 256 H C -0.939 174.075 175.328 -0.523 0.000 1.031 256 H CA -0.362 55.444 56.048 -0.404 0.000 1.206 256 H CB 1.560 31.158 29.762 -0.272 0.000 1.446 256 H HN 0.435 nan 8.280 nan 0.000 0.496 257 F N 1.092 121.041 119.950 -0.002 0.000 2.380 257 F HA 0.119 4.646 4.527 -0.000 0.000 0.319 257 F C 1.419 177.210 175.800 -0.015 0.000 1.113 257 F CA -0.723 57.246 58.000 -0.052 0.000 1.056 257 F CB 0.443 39.391 39.000 -0.087 0.000 1.289 257 F HN 0.542 nan 8.300 nan 0.000 0.515 258 N N 0.017 118.828 118.700 0.185 0.000 2.721 258 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 258 N C -0.835 174.742 175.510 0.112 0.000 1.072 258 N CA 0.796 53.919 53.050 0.121 0.000 0.710 258 N CB -1.061 37.503 38.487 0.129 0.000 0.993 258 N HN 0.608 nan 8.380 nan 0.000 0.547 259 A N 0.826 123.672 122.820 0.045 0.000 2.536 259 A HA 0.348 4.668 4.320 -0.000 0.000 0.329 259 A C 0.213 177.802 177.584 0.009 0.000 1.321 259 A CA -0.504 51.552 52.037 0.031 0.000 0.804 259 A CB 0.717 19.531 19.000 -0.310 0.000 1.126 259 A HN 0.261 nan 8.150 nan 0.000 0.480 260 Q N 2.566 122.434 119.800 0.113 0.000 2.349 260 Q HA 0.454 4.794 4.340 -0.000 0.000 0.254 260 Q C -0.782 175.287 176.000 0.115 0.000 0.980 260 Q CA -0.336 55.518 55.803 0.084 0.000 0.924 260 Q CB 0.855 29.664 28.738 0.118 0.000 1.209 260 Q HN 0.486 nan 8.270 nan 0.000 0.445 261 V N 6.996 126.949 119.914 0.064 0.000 2.599 261 V HA -0.053 4.067 4.120 -0.000 0.000 0.300 261 V C 1.088 177.195 176.094 0.022 0.000 1.034 261 V CA 0.817 63.151 62.300 0.057 0.000 1.115 261 V CB 0.269 32.087 31.823 -0.008 0.000 0.934 261 V HN 0.869 nan 8.190 nan 0.000 0.485 262 I N 1.159 121.731 120.570 0.003 0.000 4.471 262 I HA 0.444 4.614 4.170 -0.000 0.000 0.326 262 I C 0.458 176.522 176.117 -0.090 0.000 1.300 262 I CA 0.037 61.322 61.300 -0.026 0.000 1.237 262 I CB 0.346 38.344 38.000 -0.003 0.000 1.195 262 I HN 0.404 nan 8.210 nan 0.000 0.427 263 K N 1.954 122.284 120.400 -0.117 0.000 2.498 263 K HA 0.720 5.040 4.320 -0.000 0.000 0.254 263 K C -1.349 175.117 176.600 -0.223 0.000 0.933 263 K CA -0.510 55.672 56.287 -0.175 0.000 0.806 263 K CB 3.282 35.722 32.500 -0.099 0.000 1.301 263 K HN 0.019 nan 8.250 nan 0.000 0.432 264 I N 2.090 122.454 120.570 -0.343 0.000 2.478 264 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 264 I C -0.860 175.196 176.117 -0.102 0.000 1.042 264 I CA -0.655 60.493 61.300 -0.254 0.000 1.067 264 I CB 2.213 39.986 38.000 -0.379 0.000 1.233 264 I HN 0.541 nan 8.210 nan 0.000 0.431 265 Q N 6.272 126.055 119.800 -0.029 0.000 2.348 265 Q HA 0.613 4.953 4.340 -0.000 0.000 0.271 265 Q C -1.505 174.515 176.000 0.034 0.000 1.067 265 Q CA -0.678 55.137 55.803 0.021 0.000 0.839 265 Q CB 2.677 31.417 28.738 0.003 0.000 1.354 265 Q HN 0.693 nan 8.270 nan 0.000 0.447 266 Q N 1.277 121.107 119.800 0.051 0.000 2.416 266 Q HA 0.552 4.892 4.340 -0.000 0.000 0.281 266 Q C -1.466 174.549 176.000 0.026 0.000 1.067 266 Q CA -0.950 54.874 55.803 0.035 0.000 0.809 266 Q CB 1.727 30.497 28.738 0.054 0.000 1.418 266 Q HN 0.718 nan 8.270 nan 0.000 0.411 267 N N 0.130 118.836 118.700 0.010 0.000 3.201 267 N HA 0.286 5.025 4.740 -0.000 0.000 0.344 267 N C -0.330 175.183 175.510 0.004 0.000 1.465 267 N CA -0.544 52.512 53.050 0.010 0.000 0.731 267 N CB 0.147 38.637 38.487 0.005 0.000 1.677 267 N HN 0.517 nan 8.380 nan 0.000 0.631 268 D N -0.839 119.565 120.400 0.006 0.000 2.221 268 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 268 D C 0.990 177.284 176.300 -0.009 0.000 0.982 268 D CA 1.619 55.623 54.000 0.007 0.000 0.857 268 D CB 0.053 40.860 40.800 0.012 0.000 0.934 268 D HN 0.503 nan 8.370 nan 0.000 0.475 269 Q N -0.761 119.025 119.800 -0.022 0.000 2.394 269 Q HA 0.158 4.498 4.340 -0.000 0.000 0.218 269 Q C 0.188 176.138 176.000 -0.083 0.000 0.907 269 Q CA 0.642 56.420 55.803 -0.042 0.000 0.919 269 Q CB 0.750 29.473 28.738 -0.025 0.000 1.051 269 Q HN -0.087 nan 8.270 nan 0.000 0.538 270 K N -0.397 119.959 120.400 -0.073 0.000 2.533 270 K HA 0.526 4.846 4.320 -0.000 0.000 0.272 270 K C -1.127 175.430 176.600 -0.071 0.000 0.985 270 K CA -0.764 55.468 56.287 -0.091 0.000 0.876 270 K CB 1.948 34.415 32.500 -0.055 0.000 1.452 270 K HN -0.027 nan 8.250 nan 0.000 0.439 271 V N -2.042 117.822 119.914 -0.083 0.000 2.881 271 V HA 0.831 4.951 4.120 -0.000 0.000 0.316 271 V C -0.463 175.603 176.094 -0.047 0.000 1.070 271 V CA -0.354 61.917 62.300 -0.048 0.000 0.976 271 V CB 1.912 33.712 31.823 -0.039 0.000 1.038 271 V HN 0.666 nan 8.190 nan 0.000 0.446 272 T N 2.722 117.257 114.554 -0.032 0.000 2.879 272 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 272 T C -0.700 173.979 174.700 -0.035 0.000 0.993 272 T CA -0.363 61.719 62.100 -0.030 0.000 0.975 272 T CB 1.448 70.303 68.868 -0.023 0.000 0.981 272 T HN 0.758 nan 8.240 nan 0.000 0.439 273 V N 3.754 123.655 119.914 -0.023 0.000 2.448 273 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 273 V C -0.245 175.873 176.094 0.040 0.000 1.025 273 V CA -0.773 61.521 62.300 -0.010 0.000 0.859 273 V CB 1.791 33.607 31.823 -0.011 0.000 0.988 273 V HN 0.707 nan 8.190 nan 0.000 0.431 274 V N 6.149 126.070 119.914 0.011 0.000 2.459 274 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 274 V C -0.752 175.376 176.094 0.056 0.000 1.029 274 V CA -0.625 61.663 62.300 -0.020 0.000 0.874 274 V CB 1.395 33.178 31.823 -0.066 0.000 0.985 274 V HN 0.890 nan 8.190 nan 0.000 0.438 275 Y N 1.289 121.554 120.300 -0.058 0.000 2.545 275 Y HA 0.794 5.344 4.550 -0.000 0.000 0.348 275 Y C -0.350 175.532 175.900 -0.029 0.000 1.002 275 Y CA -1.386 56.687 58.100 -0.046 0.000 1.039 275 Y CB 1.283 39.711 38.460 -0.053 0.000 1.271 275 Y HN 0.572 nan 8.280 nan 0.000 0.467 276 E N 1.378 121.653 120.200 0.125 0.000 2.319 276 E HA 0.454 4.804 4.350 -0.000 0.000 0.268 276 E C -0.326 176.365 176.600 0.152 0.000 1.050 276 E CA -0.534 55.903 56.400 0.061 0.000 0.878 276 E CB 1.570 31.307 29.700 0.063 0.000 1.066 276 E HN 0.837 nan 8.360 nan 0.000 0.406 277 T N -1.513 113.091 114.554 0.084 0.000 2.804 277 T HA 0.325 4.675 4.350 -0.000 0.000 0.272 277 T C 1.063 175.814 174.700 0.084 0.000 0.986 277 T CA -0.803 61.370 62.100 0.121 0.000 0.999 277 T CB 0.292 69.218 68.868 0.096 0.000 1.307 277 T HN 0.359 nan 8.240 nan 0.000 0.586 278 L N 0.910 122.183 121.223 0.083 0.000 2.291 278 L HA 0.107 4.447 4.340 -0.000 0.000 0.214 278 L C 1.835 178.731 176.870 0.043 0.000 1.120 278 L CA 0.591 55.468 54.840 0.063 0.000 0.799 278 L CB -0.565 41.532 42.059 0.063 0.000 0.925 278 L HN 0.819 nan 8.230 nan 0.000 0.446 279 S N -1.089 114.633 115.700 0.035 0.000 2.647 279 S HA 0.187 4.657 4.470 -0.000 0.000 0.284 279 S C 0.895 175.500 174.600 0.009 0.000 1.134 279 S CA -0.713 57.498 58.200 0.019 0.000 1.027 279 S CB 0.895 64.104 63.200 0.014 0.000 1.180 279 S HN 0.002 nan 8.310 nan 0.000 0.521 280 K N 0.329 120.728 120.400 -0.001 0.000 2.486 280 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 280 K C 0.518 177.100 176.600 -0.029 0.000 1.033 280 K CA 0.235 56.515 56.287 -0.011 0.000 1.004 280 K CB -0.126 32.368 32.500 -0.011 0.000 0.798 280 K HN 0.619 nan 8.250 nan 0.000 0.495 281 E N 2.095 122.274 120.200 -0.034 0.000 2.417 281 E HA -0.046 4.304 4.350 -0.000 0.000 0.261 281 E C -0.629 175.902 176.600 -0.114 0.000 1.000 281 E CA 0.367 56.727 56.400 -0.067 0.000 0.919 281 E CB 0.535 30.201 29.700 -0.057 0.000 0.955 281 E HN 0.037 nan 8.360 nan 0.000 0.455 282 T N 2.890 117.350 114.554 -0.156 0.000 3.241 282 T HA 0.414 4.764 4.350 -0.000 0.000 0.387 282 T C -2.562 171.935 174.700 -0.338 0.000 1.451 282 T CA -1.900 60.060 62.100 -0.234 0.000 1.363 282 T CB 0.978 69.761 68.868 -0.142 0.000 1.074 282 T HN 0.191 nan 8.240 nan 0.000 0.598 283 P HA 0.418 nan 4.420 nan 0.000 0.272 283 P C -0.375 176.653 177.300 -0.453 0.000 1.240 283 P CA -0.401 62.397 63.100 -0.503 0.000 0.791 283 P CB 0.730 32.082 31.700 -0.581 0.000 0.978 284 S N 0.492 116.068 115.700 -0.206 0.000 2.500 284 S HA 0.554 5.024 4.470 -0.000 0.000 0.301 284 S C -1.144 173.452 174.600 -0.006 0.000 1.092 284 S CA -0.748 57.398 58.200 -0.091 0.000 1.030 284 S CB 0.681 63.839 63.200 -0.070 0.000 1.031 284 S HN 0.272 nan 8.310 nan 0.000 0.483 285 V N 4.945 124.892 119.914 0.055 0.000 2.487 285 V HA 0.693 4.813 4.120 -0.000 0.000 0.298 285 V C -0.402 175.708 176.094 0.028 0.000 1.028 285 V CA -0.077 62.268 62.300 0.075 0.000 0.860 285 V CB 1.761 33.657 31.823 0.122 0.000 0.991 285 V HN 0.976 nan 8.190 nan 0.000 0.427 286 T N 6.468 121.048 114.554 0.044 0.000 2.837 286 T HA 0.866 5.216 4.350 -0.000 0.000 0.285 286 T C -0.045 174.666 174.700 0.018 0.000 0.984 286 T CA 0.343 62.452 62.100 0.015 0.000 1.049 286 T CB 1.411 70.293 68.868 0.023 0.000 0.947 286 T HN 1.312 nan 8.240 nan 0.000 0.472 287 A N 1.915 124.686 122.820 -0.082 0.000 2.568 287 A HA 0.636 4.956 4.320 -0.000 0.000 0.291 287 A C 0.235 177.725 177.584 -0.157 0.000 1.159 287 A CA -0.642 51.288 52.037 -0.179 0.000 0.679 287 A CB 0.830 19.513 19.000 -0.529 0.000 1.285 287 A HN 0.662 nan 8.150 nan 0.000 0.428 288 D N -1.134 119.157 120.400 -0.183 0.000 2.183 288 D HA 0.145 4.785 4.640 -0.000 0.000 0.205 288 D C -0.573 175.284 176.300 -0.738 0.000 0.962 288 D CA 1.976 55.731 54.000 -0.408 0.000 0.849 288 D CB 0.123 40.726 40.800 -0.329 0.000 0.978 288 D HN 0.443 nan 8.370 nan 0.000 0.488 289 Y N -1.031 119.238 120.300 -0.053 0.000 2.588 289 Y HA 0.442 4.992 4.550 -0.000 0.000 0.343 289 Y C -0.485 175.380 175.900 -0.060 0.000 1.065 289 Y CA -1.092 56.998 58.100 -0.016 0.000 1.038 289 Y CB 2.230 40.654 38.460 -0.060 0.000 1.297 289 Y HN -0.367 nan 8.280 nan 0.000 0.467 290 V N 3.819 123.835 119.914 0.171 0.000 2.709 290 V HA 0.659 4.779 4.120 -0.000 0.000 0.308 290 V C -1.388 174.735 176.094 0.049 0.000 1.062 290 V CA -0.801 61.527 62.300 0.046 0.000 0.901 290 V CB 1.640 33.461 31.823 -0.004 0.000 1.003 290 V HN 0.666 nan 8.190 nan 0.000 0.425 291 I N 6.648 127.207 120.570 -0.018 0.000 2.355 291 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 291 I C -0.456 175.612 176.117 -0.081 0.000 0.999 291 I CA -0.898 60.375 61.300 -0.044 0.000 1.163 291 I CB 1.881 39.860 38.000 -0.034 0.000 1.316 291 I HN 0.299 nan 8.210 nan 0.000 0.454 292 V N 5.794 125.595 119.914 -0.188 0.000 2.406 292 V HA 0.101 4.221 4.120 -0.000 0.000 0.272 292 V C 0.255 176.402 176.094 0.088 0.000 1.043 292 V CA -0.158 62.105 62.300 -0.062 0.000 0.915 292 V CB 1.062 32.834 31.823 -0.086 0.000 0.988 292 V HN 0.932 nan 8.190 nan 0.000 0.466 293 C N 3.436 122.802 119.300 0.110 0.000 2.859 293 C HA 0.282 4.742 4.460 -0.000 0.000 0.256 293 C C 1.361 176.448 174.990 0.162 0.000 1.660 293 C CA -0.280 58.814 59.018 0.127 0.000 1.755 293 C CB -0.964 26.810 27.740 0.056 0.000 3.127 293 C HN 0.970 nan 8.230 nan 0.000 0.494 294 T N -0.983 113.702 114.554 0.219 0.000 2.852 294 T HA 0.495 4.845 4.350 -0.000 0.000 0.281 294 T C 0.562 175.439 174.700 0.294 0.000 0.993 294 T CA 0.092 62.315 62.100 0.204 0.000 0.933 294 T CB 0.675 69.648 68.868 0.176 0.000 1.187 294 T HN 0.418 nan 8.240 nan 0.000 0.559 295 T N -0.720 113.958 114.554 0.207 0.000 2.802 295 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 295 T C 1.685 176.385 174.700 0.001 0.000 1.053 295 T CA -0.158 62.052 62.100 0.185 0.000 1.058 295 T CB 0.386 69.269 68.868 0.025 0.000 0.988 295 T HN 0.855 nan 8.240 nan 0.000 0.539 296 S N 1.087 116.596 115.700 -0.319 0.000 2.383 296 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 296 S C 2.020 176.475 174.600 -0.241 0.000 1.026 296 S CA 0.460 58.284 58.200 -0.626 0.000 0.981 296 S CB -0.520 62.143 63.200 -0.896 0.000 0.818 296 S HN 0.742 nan 8.310 nan 0.000 0.472 297 R N 1.560 121.942 120.500 -0.197 0.000 2.096 297 R HA 0.110 4.450 4.340 -0.000 0.000 0.235 297 R C 2.719 178.992 176.300 -0.045 0.000 1.127 297 R CA 1.206 57.228 56.100 -0.131 0.000 0.968 297 R CB -0.741 29.448 30.300 -0.186 0.000 0.861 297 R HN 0.566 nan 8.270 nan 0.000 0.440 298 A N 0.769 123.580 122.820 -0.014 0.000 1.972 298 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 298 A C 2.303 179.955 177.584 0.113 0.000 1.169 298 A CA 1.163 53.239 52.037 0.064 0.000 0.635 298 A CB -0.402 18.659 19.000 0.103 0.000 0.810 298 A HN 0.111 nan 8.150 nan 0.000 0.446 299 V N 0.163 120.155 119.914 0.130 0.000 2.392 299 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 299 V C 2.453 178.701 176.094 0.257 0.000 1.059 299 V CA 2.227 64.679 62.300 0.253 0.000 1.051 299 V CB -0.859 31.122 31.823 0.264 0.000 0.658 299 V HN 0.550 nan 8.190 nan 0.000 0.455 300 R N -0.436 120.140 120.500 0.127 0.000 2.280 300 R HA 0.057 4.397 4.340 -0.000 0.000 0.207 300 R C 1.913 178.281 176.300 0.113 0.000 1.043 300 R CA 0.717 56.883 56.100 0.111 0.000 1.006 300 R CB -0.209 30.113 30.300 0.037 0.000 0.885 300 R HN 0.464 nan 8.270 nan 0.000 0.467 301 L N 0.361 121.647 121.223 0.106 0.000 2.509 301 L HA 0.147 4.487 4.340 -0.000 0.000 0.222 301 L C 0.690 177.601 176.870 0.070 0.000 1.123 301 L CA 0.164 55.051 54.840 0.078 0.000 0.856 301 L CB 0.124 42.224 42.059 0.068 0.000 0.985 301 L HN 0.063 nan 8.230 nan 0.000 0.456 302 I N 0.607 121.234 120.570 0.094 0.000 2.365 302 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 302 I C 0.518 176.600 176.117 -0.058 0.000 1.004 302 I CA -0.184 61.087 61.300 -0.048 0.000 1.311 302 I CB 1.253 39.140 38.000 -0.188 0.000 1.401 302 I HN -0.029 nan 8.210 nan 0.000 0.491 303 K N 6.624 126.953 120.400 -0.118 0.000 2.285 303 K HA 0.345 4.665 4.320 -0.000 0.000 0.286 303 K C -1.339 175.177 176.600 -0.140 0.000 1.072 303 K CA -0.255 56.012 56.287 -0.034 0.000 0.913 303 K CB 0.465 32.952 32.500 -0.020 0.000 1.067 303 K HN 0.290 nan 8.250 nan 0.000 0.479 304 F N 2.932 122.911 119.950 0.049 0.000 2.421 304 F HA 0.297 4.824 4.527 -0.000 0.000 0.337 304 F C 0.458 176.282 175.800 0.040 0.000 1.105 304 F CA -0.728 57.305 58.000 0.055 0.000 1.049 304 F CB 1.390 40.438 39.000 0.080 0.000 1.139 304 F HN 0.496 nan 8.300 nan 0.000 0.479 305 N N 3.932 122.749 118.700 0.196 0.000 2.549 305 N HA 0.425 5.165 4.740 -0.000 0.000 0.281 305 N C -3.101 172.478 175.510 0.115 0.000 1.084 305 N CA -2.351 50.773 53.050 0.123 0.000 0.862 305 N CB 1.830 40.355 38.487 0.065 0.000 1.333 305 N HN 0.066 nan 8.380 nan 0.000 0.523 306 P HA 0.301 nan 4.420 nan 0.000 0.272 306 P C -2.556 174.824 177.300 0.133 0.000 1.230 306 P CA -0.857 62.300 63.100 0.095 0.000 0.788 306 P CB 0.028 31.768 31.700 0.066 0.000 0.949 307 P HA 0.079 nan 4.420 nan 0.000 0.270 307 P C -0.252 177.069 177.300 0.035 0.000 1.223 307 P CA 0.008 63.176 63.100 0.114 0.000 0.785 307 P CB 0.283 32.026 31.700 0.072 0.000 0.923 308 L N 1.413 122.599 121.223 -0.060 0.000 2.490 308 L HA 0.032 4.372 4.340 -0.000 0.000 0.274 308 L C 0.953 177.769 176.870 -0.089 0.000 1.201 308 L CA -0.018 54.720 54.840 -0.170 0.000 0.869 308 L CB -0.456 41.395 42.059 -0.347 0.000 1.123 308 L HN 0.262 nan 8.230 nan 0.000 0.484 309 L N 5.013 126.190 121.223 -0.078 0.000 2.473 309 L HA 0.037 4.377 4.340 -0.000 0.000 0.268 309 L C -1.140 175.704 176.870 -0.044 0.000 1.215 309 L CA -1.244 53.570 54.840 -0.043 0.000 0.823 309 L CB 0.146 42.186 42.059 -0.032 0.000 1.099 309 L HN 0.456 nan 8.230 nan 0.000 0.483 310 P HA -0.169 nan 4.420 nan 0.000 0.216 310 P C 1.015 178.330 177.300 0.024 0.000 1.153 310 P CA 1.456 64.554 63.100 -0.003 0.000 0.858 310 P CB 0.180 31.881 31.700 0.002 0.000 0.789 311 K N -0.142 120.272 120.400 0.024 0.000 2.025 311 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 311 K C 2.217 178.817 176.600 0.001 0.000 1.049 311 K CA 1.347 57.668 56.287 0.056 0.000 0.933 311 K CB -0.330 32.200 32.500 0.050 0.000 0.714 311 K HN 0.065 nan 8.250 nan 0.000 0.438 312 K N 0.973 121.331 120.400 -0.070 0.000 2.057 312 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 312 K C 2.154 178.641 176.600 -0.188 0.000 1.049 312 K CA 1.266 57.453 56.287 -0.167 0.000 0.931 312 K CB -0.118 32.228 32.500 -0.255 0.000 0.714 312 K HN 0.126 nan 8.250 nan 0.000 0.440 313 A N 0.882 123.625 122.820 -0.128 0.000 1.908 313 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 313 A C 2.066 179.614 177.584 -0.061 0.000 1.181 313 A CA 1.995 53.972 52.037 -0.100 0.000 0.627 313 A CB -0.978 17.989 19.000 -0.055 0.000 0.818 313 A HN 0.565 nan 8.150 nan 0.000 0.445 314 H N 0.184 119.161 119.070 -0.154 0.000 2.357 314 H HA 0.085 4.641 4.556 -0.000 0.000 0.301 314 H C 2.231 177.300 175.328 -0.432 0.000 1.082 314 H CA 1.639 57.586 56.048 -0.167 0.000 1.342 314 H CB -0.600 29.143 29.762 -0.031 0.000 1.389 314 H HN 0.360 nan 8.280 nan 0.000 0.511 315 A N 0.757 123.188 122.820 -0.649 0.000 1.908 315 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 315 A C 2.747 179.886 177.584 -0.741 0.000 1.181 315 A CA 1.550 52.817 52.037 -1.283 0.000 0.627 315 A CB -0.960 17.604 19.000 -0.726 0.000 0.818 315 A HN 0.457 nan 8.150 nan 0.000 0.445 316 L N -1.209 119.766 121.223 -0.413 0.000 2.093 316 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 316 L C 2.758 179.495 176.870 -0.222 0.000 1.085 316 L CA 1.652 56.307 54.840 -0.308 0.000 0.755 316 L CB -0.413 41.503 42.059 -0.239 0.000 0.904 316 L HN 0.485 nan 8.230 nan 0.000 0.435 317 R N -0.398 119.998 120.500 -0.173 0.000 2.075 317 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 317 R C 2.036 178.301 176.300 -0.057 0.000 1.126 317 R CA 1.816 57.876 56.100 -0.066 0.000 0.963 317 R CB 0.036 30.351 30.300 0.025 0.000 0.858 317 R HN 0.173 nan 8.270 nan 0.000 0.435 318 S N -0.487 115.106 115.700 -0.179 0.000 2.497 318 S HA 0.167 4.637 4.470 -0.000 0.000 0.218 318 S C 0.051 174.623 174.600 -0.046 0.000 1.023 318 S CA -0.335 57.819 58.200 -0.076 0.000 0.913 318 S CB 0.862 64.037 63.200 -0.042 0.000 0.800 318 S HN 0.033 nan 8.310 nan 0.000 0.505 319 V N 3.767 123.555 119.914 -0.210 0.000 2.539 319 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 319 V C 0.326 176.499 176.094 0.133 0.000 1.019 319 V CA 0.382 62.626 62.300 -0.093 0.000 1.160 319 V CB -0.368 31.366 31.823 -0.147 0.000 0.901 319 V HN 0.433 nan 8.190 nan 0.000 0.481 320 H N 5.288 124.403 119.070 0.075 0.000 2.511 320 H HA 0.477 5.033 4.556 -0.000 0.000 0.346 320 H C -1.083 174.290 175.328 0.074 0.000 1.128 320 H CA -0.144 56.002 56.048 0.164 0.000 1.342 320 H CB 0.620 30.502 29.762 0.200 0.000 1.470 320 H HN 0.537 nan 8.280 nan 0.000 0.546 321 Y N 2.261 122.292 120.300 -0.450 0.000 2.446 321 Y HA 0.291 4.841 4.550 -0.000 0.000 0.345 321 Y C -0.030 175.613 175.900 -0.428 0.000 0.984 321 Y CA -1.009 56.915 58.100 -0.293 0.000 1.058 321 Y CB 1.319 39.695 38.460 -0.140 0.000 1.220 321 Y HN 0.655 nan 8.280 nan 0.000 0.455 322 R N 1.067 121.548 120.500 -0.032 0.000 2.404 322 R HA 0.647 4.987 4.340 -0.000 0.000 0.291 322 R C 0.011 176.386 176.300 0.125 0.000 1.025 322 R CA -0.658 55.484 56.100 0.069 0.000 0.991 322 R CB 1.549 31.913 30.300 0.108 0.000 1.053 322 R HN 0.603 nan 8.270 nan 0.000 0.479 323 S N 0.801 116.593 115.700 0.154 0.000 2.580 323 S HA 0.415 4.885 4.470 -0.000 0.000 0.266 323 S C -0.084 174.641 174.600 0.208 0.000 1.354 323 S CA 0.386 58.698 58.200 0.187 0.000 1.008 323 S CB 0.482 63.795 63.200 0.188 0.000 0.898 323 S HN 0.835 nan 8.310 nan 0.000 0.555 324 G N 1.641 110.613 108.800 0.287 0.000 2.711 324 G HA2 0.529 4.489 3.960 -0.000 0.000 0.288 324 G HA3 0.529 4.489 3.960 -0.000 0.000 0.288 324 G C -1.334 173.823 174.900 0.428 0.000 1.451 324 G CA -0.439 44.881 45.100 0.366 0.000 1.186 324 G HN 0.688 nan 8.290 nan 0.000 0.560 325 T N 2.043 116.809 114.554 0.353 0.000 2.881 325 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 325 T C -0.436 174.341 174.700 0.128 0.000 1.000 325 T CA -0.592 61.625 62.100 0.194 0.000 0.978 325 T CB 1.829 70.769 68.868 0.119 0.000 0.997 325 T HN 0.412 nan 8.240 nan 0.000 0.443 326 K N 2.762 123.155 120.400 -0.013 0.000 2.345 326 K HA 0.644 4.964 4.320 -0.000 0.000 0.255 326 K C -0.972 175.397 176.600 -0.384 0.000 0.934 326 K CA -0.711 55.422 56.287 -0.256 0.000 0.801 326 K CB 2.238 34.531 32.500 -0.345 0.000 1.137 326 K HN 0.481 nan 8.250 nan 0.000 0.424 327 I N 3.631 123.859 120.570 -0.570 0.000 2.389 327 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 327 I C -0.962 174.806 176.117 -0.582 0.000 0.999 327 I CA -0.736 60.269 61.300 -0.492 0.000 1.129 327 I CB 0.803 38.477 38.000 -0.544 0.000 1.288 327 I HN 0.371 nan 8.210 nan 0.000 0.444 328 F N 6.446 126.239 119.950 -0.263 0.000 2.436 328 F HA 0.559 5.086 4.527 -0.000 0.000 0.340 328 F C -0.128 175.483 175.800 -0.315 0.000 1.113 328 F CA -0.613 57.243 58.000 -0.241 0.000 1.022 328 F CB 1.295 40.199 39.000 -0.160 0.000 1.128 328 F HN 0.096 nan 8.300 nan 0.000 0.466 329 L N 2.903 124.017 121.223 -0.181 0.000 2.341 329 L HA 0.549 4.889 4.340 -0.000 0.000 0.278 329 L C -0.438 176.251 176.870 -0.302 0.000 1.005 329 L CA -0.598 54.086 54.840 -0.260 0.000 0.818 329 L CB 2.048 43.981 42.059 -0.210 0.000 1.259 329 L HN 0.547 nan 8.230 nan 0.000 0.418 330 T N 1.528 115.745 114.554 -0.561 0.000 2.771 330 T HA 0.416 4.766 4.350 -0.000 0.000 0.281 330 T C -0.480 174.067 174.700 -0.256 0.000 0.982 330 T CA -0.271 61.434 62.100 -0.658 0.000 0.978 330 T CB 0.815 68.893 68.868 -1.317 0.000 0.930 330 T HN 0.531 nan 8.240 nan 0.000 0.447 331 c N 2.925 121.514 118.600 -0.018 0.000 2.408 331 c HA 0.506 5.076 4.570 -0.000 0.000 0.321 331 c C 1.906 176.077 174.090 0.135 0.000 1.245 331 c CA -0.773 55.671 56.329 0.191 0.000 1.523 331 c CB 0.987 43.731 42.510 0.391 0.000 2.178 331 c HN 1.059 nan 8.230 nan 0.000 0.488 332 T N -1.736 112.911 114.554 0.154 0.000 3.044 332 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 332 T C 0.513 175.209 174.700 -0.006 0.000 1.081 332 T CA 0.460 62.615 62.100 0.092 0.000 1.040 332 T CB -0.106 68.836 68.868 0.123 0.000 0.962 332 T HN 0.617 nan 8.240 nan 0.000 0.506 333 T N 2.726 117.249 114.554 -0.051 0.000 2.791 333 T HA 0.361 4.711 4.350 -0.000 0.000 0.288 333 T C -0.317 174.139 174.700 -0.407 0.000 0.999 333 T CA -0.716 61.189 62.100 -0.325 0.000 0.952 333 T CB 1.466 69.855 68.868 -0.798 0.000 0.938 333 T HN 0.159 nan 8.240 nan 0.000 0.444 334 K N 3.502 123.512 120.400 -0.650 0.000 2.307 334 K HA 0.142 4.462 4.320 -0.000 0.000 0.240 334 K C 0.926 176.662 176.600 -1.439 0.000 1.214 334 K CA -0.269 55.157 56.287 -1.436 0.000 1.149 334 K CB -0.334 31.445 32.500 -1.203 0.000 1.668 334 K HN 0.691 nan 8.250 nan 0.000 0.314 335 F N -0.912 118.541 119.950 -0.827 0.000 2.333 335 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 335 F C 1.560 177.224 175.800 -0.227 0.000 1.083 335 F CA 0.119 57.872 58.000 -0.411 0.000 1.395 335 F CB -0.747 38.194 39.000 -0.099 0.000 1.056 335 F HN 0.393 nan 8.300 nan 0.000 0.529 336 W N 1.444 122.279 121.300 -0.775 0.000 2.392 336 W HA 0.041 4.701 4.660 -0.000 0.000 0.279 336 W C 1.570 177.962 176.519 -0.210 0.000 1.225 336 W CA 1.029 58.103 57.345 -0.452 0.000 1.233 336 W CB -1.234 27.833 29.460 -0.655 0.000 1.122 336 W HN 0.084 nan 8.180 nan 0.000 0.561 337 E N 0.957 120.830 120.200 -0.545 0.000 2.204 337 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 337 E C 1.388 177.907 176.600 -0.136 0.000 0.990 337 E CA 1.392 57.616 56.400 -0.294 0.000 0.821 337 E CB -0.352 29.110 29.700 -0.396 0.000 0.750 337 E HN 0.294 nan 8.360 nan 0.000 0.477 338 D N 0.989 121.331 120.400 -0.096 0.000 2.265 338 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 338 D C 0.950 177.294 176.300 0.074 0.000 0.977 338 D CA 0.958 54.960 54.000 0.004 0.000 0.871 338 D CB -0.100 40.734 40.800 0.056 0.000 0.925 338 D HN 0.107 nan 8.370 nan 0.000 0.485 339 D N -1.084 119.388 120.400 0.121 0.000 2.349 339 D HA 0.174 4.814 4.640 -0.000 0.000 0.214 339 D C 1.403 177.705 176.300 0.002 0.000 1.063 339 D CA 0.420 54.509 54.000 0.148 0.000 0.847 339 D CB 0.668 41.670 40.800 0.337 0.000 0.933 339 D HN 0.226 nan 8.370 nan 0.000 0.513 340 G N 1.150 109.937 108.800 -0.020 0.000 2.141 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 340 G C 0.257 175.118 174.900 -0.065 0.000 0.982 340 G CA -0.244 44.825 45.100 -0.052 0.000 0.662 340 G HN 0.340 nan 8.290 nan 0.000 0.527 341 I N 0.689 121.222 120.570 -0.061 0.000 2.353 341 I HA 0.567 4.737 4.170 -0.000 0.000 0.293 341 I C 0.183 176.342 176.117 0.069 0.000 0.992 341 I CA -0.920 60.319 61.300 -0.101 0.000 1.268 341 I CB 1.463 39.271 38.000 -0.320 0.000 1.387 341 I HN 0.268 nan 8.210 nan 0.000 0.478 342 H N 5.033 124.069 119.070 -0.055 0.000 2.934 342 H HA 0.607 5.163 4.556 -0.000 0.000 0.340 342 H C -0.148 175.147 175.328 -0.055 0.000 1.008 342 H CA 0.312 56.361 56.048 0.001 0.000 1.317 342 H CB 1.333 31.087 29.762 -0.012 0.000 1.670 342 H HN 0.840 nan 8.280 nan 0.000 0.516 343 G N 2.236 110.688 108.800 -0.580 0.000 2.796 343 G HA2 0.339 4.299 3.960 -0.000 0.000 0.226 343 G HA3 0.339 4.299 3.960 -0.000 0.000 0.226 343 G C 0.561 175.329 174.900 -0.220 0.000 1.381 343 G CA 0.248 45.056 45.100 -0.486 0.000 0.867 343 G HN 2.042 nan 8.290 nan 0.000 0.552 344 G N -0.981 107.686 108.800 -0.222 0.000 2.698 344 G HA2 0.414 4.374 3.960 -0.000 0.000 0.233 344 G HA3 0.414 4.374 3.960 -0.000 0.000 0.233 344 G C -0.090 174.750 174.900 -0.101 0.000 1.352 344 G CA 1.308 46.334 45.100 -0.123 0.000 0.879 344 G HN 2.564 nan 8.290 nan 0.000 0.567 345 K N -2.066 118.247 120.400 -0.146 0.000 2.556 345 K HA 0.780 5.100 4.320 -0.000 0.000 0.274 345 K C -0.746 175.779 176.600 -0.126 0.000 0.966 345 K CA -0.669 55.420 56.287 -0.329 0.000 0.865 345 K CB 1.555 33.518 32.500 -0.895 0.000 1.444 345 K HN 0.718 nan 8.250 nan 0.000 0.433 346 S N 0.341 115.984 115.700 -0.096 0.000 2.593 346 S HA 0.567 5.036 4.470 -0.000 0.000 0.297 346 S C -0.931 173.552 174.600 -0.194 0.000 1.112 346 S CA -0.646 57.513 58.200 -0.068 0.000 1.043 346 S CB 1.729 65.022 63.200 0.154 0.000 1.054 346 S HN 0.554 nan 8.310 nan 0.000 0.516 347 T N 1.739 116.131 114.554 -0.269 0.000 2.824 347 T HA 0.687 5.037 4.350 -0.000 0.000 0.282 347 T C -0.425 174.165 174.700 -0.184 0.000 0.993 347 T CA -0.486 61.413 62.100 -0.336 0.000 0.967 347 T CB 1.740 70.453 68.868 -0.258 0.000 0.960 347 T HN 0.552 nan 8.240 nan 0.000 0.441 348 T N 0.606 114.976 114.554 -0.306 0.000 2.868 348 T HA 0.409 4.759 4.350 -0.000 0.000 0.306 348 T C -0.504 174.090 174.700 -0.177 0.000 1.224 348 T CA -0.730 61.309 62.100 -0.102 0.000 1.012 348 T CB 1.430 70.302 68.868 0.005 0.000 1.221 348 T HN 0.607 nan 8.240 nan 0.000 0.499 349 D N 1.903 122.258 120.400 -0.075 0.000 2.349 349 D HA 0.183 4.823 4.640 -0.000 0.000 0.214 349 D C 0.815 177.053 176.300 -0.104 0.000 1.063 349 D CA -0.066 53.875 54.000 -0.099 0.000 0.847 349 D CB -0.319 40.443 40.800 -0.064 0.000 0.933 349 D HN 0.408 nan 8.370 nan 0.000 0.513 350 L N 0.111 121.299 121.223 -0.058 0.000 2.476 350 L HA 0.185 4.525 4.340 -0.000 0.000 0.264 350 L C -1.128 175.636 176.870 -0.177 0.000 1.224 350 L CA -1.569 53.219 54.840 -0.086 0.000 0.821 350 L CB 0.220 42.276 42.059 -0.005 0.000 1.101 350 L HN -0.243 nan 8.230 nan 0.000 0.488 351 P HA -0.115 nan 4.420 nan 0.000 0.219 351 P C 1.379 178.683 177.300 0.006 0.000 1.146 351 P CA 1.014 63.874 63.100 -0.400 0.000 0.808 351 P CB 0.220 31.467 31.700 -0.755 0.000 0.779 352 S N -1.130 114.617 115.700 0.079 0.000 2.399 352 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 352 S C 1.201 175.797 174.600 -0.006 0.000 1.022 352 S CA 0.955 59.214 58.200 0.098 0.000 0.983 352 S CB -0.413 62.786 63.200 -0.002 0.000 0.803 352 S HN 0.038 nan 8.310 nan 0.000 0.480 353 R N -1.059 119.350 120.500 -0.151 0.000 1.247 353 R HA -0.214 4.126 4.340 -0.000 0.000 0.031 353 R C -0.567 175.233 176.300 -0.834 0.000 0.958 353 R CA 2.064 57.907 56.100 -0.429 0.000 1.979 353 R CB -1.503 28.654 30.300 -0.239 0.000 0.185 353 R HN 0.496 nan 8.270 nan 0.000 0.728 354 F N 0.841 120.735 119.950 -0.092 0.000 2.536 354 F HA 0.515 5.042 4.527 -0.000 0.000 0.322 354 F C 0.194 175.875 175.800 -0.198 0.000 1.144 354 F CA -0.881 57.010 58.000 -0.182 0.000 0.924 354 F CB 1.540 40.446 39.000 -0.156 0.000 1.181 354 F HN -0.113 nan 8.300 nan 0.000 0.438 355 I N 4.238 124.676 120.570 -0.221 0.000 2.330 355 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 355 I C -0.797 174.887 176.117 -0.721 0.000 1.001 355 I CA -0.916 60.149 61.300 -0.391 0.000 1.193 355 I CB 0.598 38.366 38.000 -0.387 0.000 1.345 355 I HN 0.509 nan 8.210 nan 0.000 0.461 356 Y N 6.017 125.991 120.300 -0.542 0.000 2.330 356 Y HA 0.396 4.946 4.550 -0.000 0.000 0.336 356 Y C -0.196 175.227 175.900 -0.796 0.000 1.036 356 Y CA -0.232 57.556 58.100 -0.520 0.000 1.125 356 Y CB 1.242 39.577 38.460 -0.207 0.000 1.194 356 Y HN 0.352 nan 8.280 nan 0.000 0.469 357 Y N 4.358 124.448 120.300 -0.351 0.000 2.387 357 Y HA 0.394 4.944 4.550 -0.000 0.000 0.330 357 Y C -2.070 173.505 175.900 -0.543 0.000 1.133 357 Y CA -2.849 54.872 58.100 -0.631 0.000 1.152 357 Y CB 0.726 38.771 38.460 -0.692 0.000 1.215 357 Y HN 0.423 nan 8.280 nan 0.000 0.466 358 P HA 0.038 nan 4.420 nan 0.000 0.271 358 P C -0.499 176.396 177.300 -0.675 0.000 1.218 358 P CA -0.081 62.696 63.100 -0.538 0.000 0.780 358 P CB 1.105 32.472 31.700 -0.555 0.000 0.901 359 N N 0.012 118.325 118.700 -0.644 0.000 2.236 359 N HA 0.023 4.763 4.740 -0.000 0.000 0.196 359 N C 0.510 176.009 175.510 -0.017 0.000 1.114 359 N CA 0.167 52.947 53.050 -0.450 0.000 0.859 359 N CB 0.189 38.516 38.487 -0.267 0.000 0.982 359 N HN 0.651 nan 8.380 nan 0.000 0.493 360 H N -0.713 118.364 119.070 0.011 0.000 2.670 360 H HA 0.435 4.991 4.556 -0.000 0.000 0.361 360 H C -0.871 174.406 175.328 -0.086 0.000 1.169 360 H CA -0.635 55.393 56.048 -0.033 0.000 1.198 360 H CB 0.905 30.566 29.762 -0.168 0.000 1.700 360 H HN -0.212 nan 8.280 nan 0.000 0.542 361 N N 1.771 120.482 118.700 0.019 0.000 2.569 361 N HA 0.144 4.884 4.740 -0.000 0.000 0.254 361 N C -0.982 174.551 175.510 0.039 0.000 1.004 361 N CA -0.427 52.618 53.050 -0.008 0.000 0.904 361 N CB 0.876 39.363 38.487 -0.001 0.000 1.165 361 N HN 0.297 nan 8.380 nan 0.000 0.513 362 F N 1.071 121.152 119.950 0.218 0.000 2.607 362 F HA -0.018 4.509 4.527 -0.000 0.000 0.374 362 F C 2.448 178.325 175.800 0.128 0.000 1.104 362 F CA -0.205 57.905 58.000 0.183 0.000 1.296 362 F CB 0.264 39.385 39.000 0.201 0.000 1.085 362 F HN 0.414 nan 8.300 nan 0.000 0.584 363 T N -1.567 113.181 114.554 0.324 0.000 2.881 363 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 363 T C 1.331 176.126 174.700 0.159 0.000 1.068 363 T CA 1.331 63.545 62.100 0.190 0.000 1.131 363 T CB -0.490 68.471 68.868 0.155 0.000 0.871 363 T HN 0.596 nan 8.240 nan 0.000 0.479 364 N N 1.505 120.318 118.700 0.188 0.000 2.398 364 N HA 0.227 4.967 4.740 -0.000 0.000 0.188 364 N C 1.494 177.085 175.510 0.134 0.000 1.122 364 N CA 0.651 53.786 53.050 0.143 0.000 0.866 364 N CB -0.465 38.104 38.487 0.136 0.000 0.970 364 N HN 0.666 nan 8.380 nan 0.000 0.462 365 G N -1.038 107.855 108.800 0.154 0.000 2.175 365 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 365 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 365 G C -0.254 174.718 174.900 0.120 0.000 0.982 365 G CA 0.169 45.328 45.100 0.099 0.000 0.641 365 G HN 0.311 nan 8.290 nan 0.000 0.527 366 V N 0.856 120.900 119.914 0.216 0.000 2.715 366 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 366 V C 1.093 177.392 176.094 0.342 0.000 1.054 366 V CA 0.859 63.297 62.300 0.230 0.000 1.077 366 V CB 1.504 33.454 31.823 0.212 0.000 0.972 366 V HN 0.959 nan 8.190 nan 0.000 0.484 367 G N 3.061 112.034 108.800 0.288 0.000 2.591 367 G HA2 0.605 4.565 3.960 -0.000 0.000 0.306 367 G HA3 0.605 4.565 3.960 -0.000 0.000 0.306 367 G C -1.494 173.592 174.900 0.311 0.000 1.334 367 G CA -0.454 44.900 45.100 0.422 0.000 0.981 367 G HN 0.547 nan 8.290 nan 0.000 0.491 368 V N 2.889 122.913 119.914 0.184 0.000 2.384 368 V HA 0.507 4.627 4.120 -0.000 0.000 0.287 368 V C 0.303 176.314 176.094 -0.139 0.000 1.020 368 V CA -0.582 61.730 62.300 0.020 0.000 0.850 368 V CB 0.814 32.727 31.823 0.150 0.000 0.987 368 V HN 0.737 nan 8.190 nan 0.000 0.436 369 I N 3.074 123.480 120.570 -0.273 0.000 2.750 369 I HA 0.773 4.943 4.170 -0.000 0.000 0.308 369 I C -0.776 175.129 176.117 -0.354 0.000 1.016 369 I CA -0.849 60.165 61.300 -0.477 0.000 1.098 369 I CB 2.062 39.620 38.000 -0.736 0.000 1.279 369 I HN 0.379 nan 8.210 nan 0.000 0.454 370 I N 3.333 123.660 120.570 -0.404 0.000 2.569 370 I HA 0.598 4.768 4.170 -0.000 0.000 0.290 370 I C -0.236 175.684 176.117 -0.327 0.000 1.088 370 I CA -0.795 60.224 61.300 -0.469 0.000 1.047 370 I CB 2.058 39.776 38.000 -0.469 0.000 1.237 370 I HN 0.786 nan 8.210 nan 0.000 0.421 371 A N 5.637 128.249 122.820 -0.347 0.000 2.274 371 A HA 0.644 4.964 4.320 -0.000 0.000 0.309 371 A C -1.467 176.063 177.584 -0.089 0.000 1.226 371 A CA -0.224 51.700 52.037 -0.189 0.000 0.853 371 A CB 0.519 19.375 19.000 -0.240 0.000 1.146 371 A HN 0.593 nan 8.150 nan 0.000 0.518 372 Y N 1.922 122.195 120.300 -0.044 0.000 2.346 372 Y HA 0.616 5.166 4.550 -0.000 0.000 0.332 372 Y C 0.030 176.011 175.900 0.135 0.000 0.985 372 Y CA -1.169 56.930 58.100 -0.002 0.000 1.112 372 Y CB 1.462 39.926 38.460 0.007 0.000 1.170 372 Y HN 0.840 nan 8.280 nan 0.000 0.447 373 G N 6.004 114.898 108.800 0.157 0.000 2.574 373 G HA2 0.669 4.629 3.960 -0.000 0.000 0.299 373 G HA3 0.669 4.629 3.960 -0.000 0.000 0.299 373 G C -1.467 173.420 174.900 -0.020 0.000 1.298 373 G CA -1.009 44.116 45.100 0.042 0.000 0.952 373 G HN 0.846 nan 8.290 nan 0.000 0.477 374 I N -1.327 119.201 120.570 -0.071 0.000 3.002 374 I HA 0.892 5.062 4.170 -0.000 0.000 0.310 374 I C 0.918 177.079 176.117 0.075 0.000 1.087 374 I CA -0.370 60.924 61.300 -0.010 0.000 1.017 374 I CB 1.913 39.831 38.000 -0.136 0.000 1.226 374 I HN 1.312 nan 8.210 nan 0.000 0.443 375 G N 3.046 111.921 108.800 0.125 0.000 2.596 375 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.295 375 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.295 375 G C 0.358 175.380 174.900 0.204 0.000 1.240 375 G CA 0.898 46.113 45.100 0.192 0.000 0.985 375 G HN 0.832 nan 8.290 nan 0.000 0.555 376 D N 0.839 121.371 120.400 0.221 0.000 2.263 376 D HA 0.009 4.649 4.640 -0.000 0.000 0.208 376 D C 2.067 178.474 176.300 0.180 0.000 0.971 376 D CA 1.305 55.423 54.000 0.196 0.000 0.867 376 D CB -0.305 40.609 40.800 0.190 0.000 0.929 376 D HN 0.407 nan 8.370 nan 0.000 0.492 377 D N 0.378 120.869 120.400 0.152 0.000 2.123 377 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 377 D C 2.008 178.471 176.300 0.272 0.000 0.992 377 D CA 1.291 55.378 54.000 0.145 0.000 0.833 377 D CB -0.221 40.646 40.800 0.112 0.000 0.954 377 D HN 0.166 nan 8.370 nan 0.000 0.455 378 A N 1.162 124.145 122.820 0.272 0.000 1.898 378 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 378 A C 1.946 179.738 177.584 0.346 0.000 1.181 378 A CA 1.156 53.403 52.037 0.349 0.000 0.620 378 A CB -0.410 18.747 19.000 0.260 0.000 0.819 378 A HN 0.112 nan 8.150 nan 0.000 0.442 379 N N -0.838 118.012 118.700 0.249 0.000 2.289 379 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 379 N C 1.322 176.921 175.510 0.149 0.000 1.016 379 N CA 1.169 54.331 53.050 0.186 0.000 0.872 379 N CB -0.613 37.966 38.487 0.153 0.000 0.973 379 N HN 0.529 nan 8.380 nan 0.000 0.433 380 F N 1.034 120.979 119.950 -0.007 0.000 2.087 380 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 380 F C 1.556 177.223 175.800 -0.222 0.000 1.100 380 F CA 1.553 59.441 58.000 -0.186 0.000 1.226 380 F CB -0.442 38.314 39.000 -0.407 0.000 0.983 380 F HN -0.070 nan 8.300 nan 0.000 0.479 381 F N -0.241 119.768 119.950 0.098 0.000 2.780 381 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 381 F C 2.362 178.140 175.800 -0.037 0.000 1.146 381 F CA 0.600 58.602 58.000 0.003 0.000 1.428 381 F CB -0.736 38.312 39.000 0.079 0.000 1.115 381 F HN 0.063 nan 8.300 nan 0.000 0.583 382 Q N 0.886 120.764 119.800 0.129 0.000 2.096 382 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 382 Q C 2.176 178.201 176.000 0.042 0.000 0.982 382 Q CA 1.712 57.571 55.803 0.092 0.000 0.850 382 Q CB -0.117 28.667 28.738 0.077 0.000 0.901 382 Q HN 0.390 nan 8.270 nan 0.000 0.422 383 A N -0.222 122.591 122.820 -0.012 0.000 2.218 383 A HA 0.210 4.530 4.320 -0.000 0.000 0.209 383 A C 0.498 178.072 177.584 -0.017 0.000 1.168 383 A CA -0.144 51.879 52.037 -0.024 0.000 0.804 383 A CB 0.109 19.075 19.000 -0.057 0.000 0.834 383 A HN 0.277 nan 8.150 nan 0.000 0.482 384 L N 1.617 122.837 121.223 -0.004 0.000 2.312 384 L HA 0.279 4.619 4.340 -0.000 0.000 0.281 384 L C -0.044 176.865 176.870 0.065 0.000 1.070 384 L CA -0.971 53.880 54.840 0.018 0.000 0.805 384 L CB 0.976 43.052 42.059 0.029 0.000 1.174 384 L HN 0.398 nan 8.230 nan 0.000 0.434 385 D N 1.031 121.473 120.400 0.071 0.000 2.384 385 D HA -0.075 4.565 4.640 -0.000 0.000 0.244 385 D C 0.892 177.284 176.300 0.154 0.000 1.251 385 D CA -0.223 53.844 54.000 0.112 0.000 0.961 385 D CB 0.590 41.453 40.800 0.104 0.000 1.116 385 D HN 0.421 nan 8.370 nan 0.000 0.484 386 F N 0.259 120.232 119.950 0.040 0.000 2.065 386 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 386 F C 2.165 178.002 175.800 0.063 0.000 1.112 386 F CA 1.796 59.819 58.000 0.040 0.000 1.212 386 F CB 0.021 39.042 39.000 0.035 0.000 0.975 386 F HN 0.252 nan 8.300 nan 0.000 0.476 387 K N -0.238 120.357 120.400 0.324 0.000 2.148 387 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 387 K C 1.684 178.368 176.600 0.141 0.000 1.050 387 K CA 1.430 57.863 56.287 0.242 0.000 0.942 387 K CB -0.244 32.390 32.500 0.224 0.000 0.724 387 K HN 0.269 nan 8.250 nan 0.000 0.446 388 D N 0.518 120.989 120.400 0.118 0.000 2.117 388 D HA -0.122 4.517 4.640 -0.000 0.000 0.198 388 D C 1.941 178.316 176.300 0.125 0.000 0.982 388 D CA 0.855 54.918 54.000 0.106 0.000 0.828 388 D CB -0.390 40.458 40.800 0.081 0.000 0.967 388 D HN 0.182 nan 8.370 nan 0.000 0.464 389 C N 1.160 120.519 119.300 0.098 0.000 2.413 389 C HA -0.065 4.395 4.460 -0.000 0.000 0.276 389 C C 2.915 177.891 174.990 -0.024 0.000 1.236 389 C CA 0.893 59.978 59.018 0.112 0.000 1.735 389 C CB -1.013 26.675 27.740 -0.087 0.000 2.031 389 C HN 0.365 nan 8.230 nan 0.000 0.474 390 A N 0.283 123.025 122.820 -0.130 0.000 1.930 390 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 390 A C 1.814 179.418 177.584 0.033 0.000 1.175 390 A CA 2.215 54.147 52.037 -0.175 0.000 0.627 390 A CB -0.729 18.206 19.000 -0.108 0.000 0.815 390 A HN 0.595 nan 8.150 nan 0.000 0.443 391 D N -0.103 120.406 120.400 0.181 0.000 2.123 391 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 391 D C 1.682 178.099 176.300 0.196 0.000 0.992 391 D CA 1.446 55.599 54.000 0.255 0.000 0.833 391 D CB -0.218 40.687 40.800 0.174 0.000 0.954 391 D HN 0.501 nan 8.370 nan 0.000 0.455 392 I N -0.438 120.235 120.570 0.172 0.000 2.179 392 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 392 I C 2.338 178.524 176.117 0.115 0.000 1.088 392 I CA 0.615 62.025 61.300 0.184 0.000 1.357 392 I CB -0.180 38.026 38.000 0.344 0.000 1.051 392 I HN 0.004 nan 8.210 nan 0.000 0.409 393 V N 0.353 120.282 119.914 0.025 0.000 2.358 393 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 393 V C 2.260 178.287 176.094 -0.111 0.000 1.047 393 V CA 1.804 64.038 62.300 -0.110 0.000 1.035 393 V CB -0.702 30.946 31.823 -0.292 0.000 0.658 393 V HN 0.211 nan 8.190 nan 0.000 0.452 394 F N 0.990 120.933 119.950 -0.012 0.000 2.102 394 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 394 F C 2.411 178.182 175.800 -0.048 0.000 1.105 394 F CA 1.544 59.524 58.000 -0.034 0.000 1.239 394 F CB -0.870 38.107 39.000 -0.038 0.000 0.991 394 F HN 0.190 nan 8.300 nan 0.000 0.474 395 N N 0.434 119.231 118.700 0.160 0.000 2.069 395 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 395 N C 1.450 176.954 175.510 -0.010 0.000 1.031 395 N CA 1.687 54.771 53.050 0.058 0.000 0.852 395 N CB -0.617 37.902 38.487 0.053 0.000 1.018 395 N HN 0.251 nan 8.380 nan 0.000 0.423 396 D N 0.774 121.168 120.400 -0.010 0.000 2.097 396 D HA -0.045 4.595 4.640 -0.000 0.000 0.197 396 D C 2.230 178.474 176.300 -0.093 0.000 0.984 396 D CA 0.407 54.365 54.000 -0.070 0.000 0.826 396 D CB -0.448 40.329 40.800 -0.039 0.000 0.973 396 D HN 0.208 nan 8.370 nan 0.000 0.460 397 L N 0.561 121.782 121.223 -0.003 0.000 2.042 397 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 397 L C 2.535 179.426 176.870 0.035 0.000 1.076 397 L CA 1.086 55.985 54.840 0.098 0.000 0.749 397 L CB -0.466 41.683 42.059 0.150 0.000 0.893 397 L HN 0.027 nan 8.230 nan 0.000 0.432 398 S N 0.019 115.697 115.700 -0.036 0.000 2.370 398 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 398 S C 1.954 176.444 174.600 -0.183 0.000 1.033 398 S CA 1.253 59.398 58.200 -0.092 0.000 1.011 398 S CB -0.139 63.012 63.200 -0.081 0.000 0.852 398 S HN 0.320 nan 8.310 nan 0.000 0.457 399 L N 0.422 121.469 121.223 -0.293 0.000 2.095 399 L HA 0.044 4.384 4.340 -0.000 0.000 0.204 399 L C 2.388 178.791 176.870 -0.780 0.000 1.080 399 L CA 0.976 55.479 54.840 -0.562 0.000 0.759 399 L CB -0.465 41.133 42.059 -0.768 0.000 0.914 399 L HN 0.327 nan 8.230 nan 0.000 0.439 400 I N -0.873 119.309 120.570 -0.647 0.000 2.179 400 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 400 I C 2.219 177.860 176.117 -0.793 0.000 1.088 400 I CA 1.258 62.185 61.300 -0.621 0.000 1.357 400 I CB -0.307 37.528 38.000 -0.275 0.000 1.051 400 I HN 0.318 nan 8.210 nan 0.000 0.409 401 H N 0.220 119.092 119.070 -0.330 0.000 2.551 401 H HA 0.105 4.661 4.556 -0.000 0.000 0.271 401 H C 0.391 175.590 175.328 -0.214 0.000 0.984 401 H CA 0.101 56.026 56.048 -0.205 0.000 1.164 401 H CB 0.309 30.193 29.762 0.204 0.000 1.437 401 H HN 0.345 nan 8.280 nan 0.000 0.550 402 Q N 0.849 120.521 119.800 -0.212 0.000 2.453 402 Q HA -0.174 4.166 4.340 -0.000 0.000 0.330 402 Q C -1.341 174.623 176.000 -0.060 0.000 1.417 402 Q CA 0.110 55.817 55.803 -0.160 0.000 0.902 402 Q CB -1.244 27.380 28.738 -0.190 0.000 1.154 402 Q HN 0.408 nan 8.270 nan 0.000 0.395 403 L N 0.666 121.856 121.223 -0.056 0.000 2.388 403 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 403 L C -2.211 174.596 176.870 -0.105 0.000 0.998 403 L CA -2.535 52.273 54.840 -0.054 0.000 0.817 403 L CB 1.924 43.952 42.059 -0.052 0.000 1.338 403 L HN 0.042 nan 8.230 nan 0.000 0.414 404 P HA 0.010 nan 4.420 nan 0.000 0.264 404 P C 0.158 177.346 177.300 -0.185 0.000 1.193 404 P CA -0.123 62.898 63.100 -0.132 0.000 0.763 404 P CB 0.698 32.323 31.700 -0.126 0.000 0.810 405 K N 3.666 123.971 120.400 -0.159 0.000 2.113 405 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 405 K C 1.387 177.817 176.600 -0.284 0.000 1.047 405 K CA 1.710 57.891 56.287 -0.177 0.000 0.928 405 K CB -0.038 32.389 32.500 -0.122 0.000 0.716 405 K HN 0.245 nan 8.250 nan 0.000 0.446 406 K N 0.380 120.625 120.400 -0.260 0.000 2.147 406 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 406 K C 1.683 178.052 176.600 -0.386 0.000 1.049 406 K CA 1.710 57.822 56.287 -0.293 0.000 0.936 406 K CB -0.002 32.373 32.500 -0.208 0.000 0.722 406 K HN 0.200 nan 8.250 nan 0.000 0.446 407 D N 0.816 120.950 120.400 -0.442 0.000 2.084 407 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 407 D C 1.783 177.391 176.300 -1.154 0.000 0.990 407 D CA 1.135 54.671 54.000 -0.774 0.000 0.826 407 D CB -0.181 40.243 40.800 -0.626 0.000 0.971 407 D HN 0.168 nan 8.370 nan 0.000 0.453 408 I N 0.627 120.762 120.570 -0.725 0.000 2.286 408 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 408 I C 2.180 178.162 176.117 -0.226 0.000 1.115 408 I CA 1.087 62.117 61.300 -0.451 0.000 1.392 408 I CB -0.370 37.503 38.000 -0.212 0.000 1.065 408 I HN 0.011 nan 8.210 nan 0.000 0.418 409 Q N -0.258 119.262 119.800 -0.466 0.000 2.364 409 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 409 Q C 2.287 178.145 176.000 -0.236 0.000 0.970 409 Q CA 1.251 56.714 55.803 -0.566 0.000 0.888 409 Q CB -0.008 28.276 28.738 -0.757 0.000 0.951 409 Q HN 0.384 nan 8.270 nan 0.000 0.469 410 S N -0.656 114.886 115.700 -0.263 0.000 2.441 410 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 410 S C 1.369 176.039 174.600 0.117 0.000 1.043 410 S CA 0.171 58.305 58.200 -0.110 0.000 0.948 410 S CB 0.067 63.157 63.200 -0.183 0.000 0.810 410 S HN 0.271 nan 8.310 nan 0.000 0.504 411 F N 1.946 121.941 119.950 0.074 0.000 2.216 411 F HA 0.195 4.722 4.527 -0.000 0.000 0.300 411 F C 1.329 177.260 175.800 0.218 0.000 1.085 411 F CA -0.749 57.335 58.000 0.141 0.000 1.326 411 F CB -1.099 38.006 39.000 0.176 0.000 1.027 411 F HN 0.222 nan 8.300 nan 0.000 0.497 412 c N -1.623 117.246 118.600 0.448 0.000 2.994 412 c HA 0.670 5.240 4.570 -0.000 0.000 0.304 412 c C -0.727 173.647 174.090 0.473 0.000 1.273 412 c CA -1.142 55.436 56.329 0.415 0.000 1.537 412 c CB 1.303 44.084 42.510 0.452 0.000 2.001 412 c HN 0.355 nan 8.230 nan 0.000 0.471 413 Y N -0.365 120.092 120.300 0.261 0.000 2.553 413 Y HA 0.787 5.337 4.550 -0.000 0.000 0.347 413 Y C -3.089 172.933 175.900 0.204 0.000 1.019 413 Y CA -3.257 55.022 58.100 0.298 0.000 1.032 413 Y CB 0.738 39.327 38.460 0.214 0.000 1.284 413 Y HN 0.442 nan 8.280 nan 0.000 0.466 414 P HA 0.132 nan 4.420 nan 0.000 0.281 414 P C 0.018 177.477 177.300 0.266 0.000 1.286 414 P CA -0.058 63.074 63.100 0.052 0.000 0.772 414 P CB 1.640 33.351 31.700 0.019 0.000 0.862 415 S N 2.945 118.640 115.700 -0.007 0.000 2.499 415 S HA 0.199 4.669 4.470 -0.000 0.000 0.225 415 S C 0.663 175.394 174.600 0.217 0.000 1.050 415 S CA 0.088 58.361 58.200 0.122 0.000 0.928 415 S CB 0.051 63.114 63.200 -0.228 0.000 0.803 415 S HN 0.411 nan 8.310 nan 0.000 0.506 416 V N 0.691 120.697 119.914 0.153 0.000 2.969 416 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 416 V C -2.281 173.917 176.094 0.173 0.000 1.192 416 V CA -1.137 61.206 62.300 0.072 0.000 0.962 416 V CB 2.050 33.596 31.823 -0.462 0.000 1.045 416 V HN 0.441 nan 8.190 nan 0.000 0.428 417 I N 4.852 125.522 120.570 0.166 0.000 2.499 417 I HA 0.528 4.698 4.170 -0.000 0.000 0.288 417 I C -1.097 175.017 176.117 -0.004 0.000 1.048 417 I CA -0.620 60.683 61.300 0.006 0.000 1.062 417 I CB 2.054 39.931 38.000 -0.205 0.000 1.238 417 I HN 0.688 nan 8.210 nan 0.000 0.426 418 Q N 6.400 126.179 119.800 -0.034 0.000 2.357 418 Q HA 0.359 4.699 4.340 -0.000 0.000 0.266 418 Q C -1.341 174.507 176.000 -0.253 0.000 1.021 418 Q CA -0.427 55.240 55.803 -0.227 0.000 0.784 418 Q CB 1.222 29.783 28.738 -0.294 0.000 1.243 418 Q HN 0.390 nan 8.270 nan 0.000 0.465 419 K N 3.793 124.052 120.400 -0.234 0.000 2.354 419 K HA 0.151 4.471 4.320 -0.000 0.000 0.257 419 K C -0.173 176.364 176.600 -0.104 0.000 1.062 419 K CA -0.235 55.998 56.287 -0.091 0.000 0.971 419 K CB 0.527 33.018 32.500 -0.016 0.000 1.305 419 K HN 0.716 nan 8.250 nan 0.000 0.449 420 W N 1.001 122.343 121.300 0.071 0.000 2.374 420 W HA -0.219 4.441 4.660 -0.000 0.000 0.288 420 W C 2.312 178.854 176.519 0.038 0.000 1.218 420 W CA 1.257 58.638 57.345 0.059 0.000 1.245 420 W CB 0.020 29.522 29.460 0.071 0.000 1.126 420 W HN 0.539 nan 8.180 nan 0.000 0.545 421 S N -0.067 115.774 115.700 0.235 0.000 2.507 421 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 421 S C 1.324 175.968 174.600 0.074 0.000 0.988 421 S CA 0.852 59.133 58.200 0.136 0.000 0.944 421 S CB -0.581 62.692 63.200 0.122 0.000 0.762 421 S HN 0.354 nan 8.310 nan 0.000 0.526 422 L N 0.978 122.233 121.223 0.053 0.000 2.728 422 L HA 0.335 4.675 4.340 -0.000 0.000 0.238 422 L C 0.632 177.490 176.870 -0.020 0.000 1.143 422 L CA -0.202 54.641 54.840 0.006 0.000 0.937 422 L CB -0.075 41.980 42.059 -0.007 0.000 1.225 422 L HN 0.319 nan 8.230 nan 0.000 0.507 423 D N 2.469 122.882 120.400 0.022 0.000 2.371 423 D HA -0.035 4.605 4.640 -0.000 0.000 0.256 423 D C 1.014 177.303 176.300 -0.020 0.000 1.193 423 D CA -0.009 54.006 54.000 0.024 0.000 0.881 423 D CB 1.306 42.240 40.800 0.223 0.000 1.143 423 D HN 0.315 nan 8.370 nan 0.000 0.473 424 K N 3.087 123.390 120.400 -0.162 0.000 2.362 424 K HA -0.177 4.143 4.320 -0.000 0.000 0.200 424 K C 0.725 177.118 176.600 -0.346 0.000 1.046 424 K CA 1.094 57.203 56.287 -0.298 0.000 0.952 424 K CB -0.026 32.202 32.500 -0.454 0.000 0.753 424 K HN 0.419 nan 8.250 nan 0.000 0.466 425 Y N 0.721 121.060 120.300 0.065 0.000 2.396 425 Y HA 0.299 4.849 4.550 -0.000 0.000 0.292 425 Y C 2.689 178.622 175.900 0.055 0.000 1.128 425 Y CA 0.247 58.385 58.100 0.064 0.000 1.194 425 Y CB -0.333 38.177 38.460 0.083 0.000 1.124 425 Y HN 0.124 nan 8.280 nan 0.000 0.543 426 A N 0.067 123.020 122.820 0.223 0.000 1.897 426 A HA -0.079 4.240 4.320 -0.000 0.000 0.215 426 A C 1.489 179.053 177.584 -0.034 0.000 1.181 426 A CA 1.731 53.841 52.037 0.122 0.000 0.620 426 A CB -0.634 18.489 19.000 0.205 0.000 0.821 426 A HN 0.475 nan 8.150 nan 0.000 0.443 427 M N -2.901 116.689 119.600 -0.017 0.000 2.856 427 M HA -0.193 4.287 4.480 -0.000 0.000 0.189 427 M C 0.389 176.576 176.300 -0.187 0.000 0.612 427 M CA 0.674 55.919 55.300 -0.092 0.000 0.673 427 M CB -2.285 30.246 32.600 -0.114 0.000 2.440 427 M HN 1.005 nan 8.290 nan 0.000 0.437 428 G N -1.715 106.997 108.800 -0.147 0.000 2.338 428 G HA2 0.526 4.486 3.960 -0.000 0.000 0.295 428 G HA3 0.526 4.486 3.960 -0.000 0.000 0.295 428 G C -0.054 174.882 174.900 0.060 0.000 1.461 428 G CA -0.286 44.722 45.100 -0.154 0.000 0.817 428 G HN 0.301 nan 8.290 nan 0.000 0.556 429 G N -0.981 107.938 108.800 0.198 0.000 2.682 429 G HA2 0.477 4.437 3.960 -0.000 0.000 0.221 429 G HA3 0.477 4.437 3.960 -0.000 0.000 0.221 429 G C 0.253 175.246 174.900 0.155 0.000 1.386 429 G CA 0.252 45.474 45.100 0.203 0.000 0.909 429 G HN 0.721 nan 8.290 nan 0.000 0.558 430 I N 0.999 121.675 120.570 0.177 0.000 2.499 430 I HA 0.244 4.414 4.170 -0.000 0.000 0.288 430 I C -0.507 175.546 176.117 -0.107 0.000 1.048 430 I CA -0.651 60.675 61.300 0.044 0.000 1.062 430 I CB 2.438 40.414 38.000 -0.040 0.000 1.238 430 I HN -0.017 nan 8.210 nan 0.000 0.426 431 T N 4.107 118.417 114.554 -0.406 0.000 2.849 431 T HA 0.071 4.421 4.350 -0.000 0.000 0.289 431 T C 0.000 174.401 174.700 -0.499 0.000 1.010 431 T CA 0.502 62.065 62.100 -0.895 0.000 1.161 431 T CB -0.157 68.153 68.868 -0.931 0.000 0.989 431 T HN 0.602 nan 8.240 nan 0.000 0.523 432 T N 4.653 119.021 114.554 -0.311 0.000 3.187 432 T HA 0.311 4.661 4.350 -0.000 0.000 0.328 432 T C -0.579 174.294 174.700 0.287 0.000 0.951 432 T CA -0.658 61.464 62.100 0.036 0.000 1.049 432 T CB 0.161 69.109 68.868 0.135 0.000 1.015 432 T HN 0.286 nan 8.240 nan 0.000 0.461 433 F N 3.850 123.791 119.950 -0.016 0.000 2.495 433 F HA 0.317 4.844 4.527 -0.000 0.000 0.365 433 F C 1.768 177.625 175.800 0.094 0.000 1.090 433 F CA -1.038 56.926 58.000 -0.061 0.000 1.235 433 F CB 0.287 39.003 39.000 -0.472 0.000 1.119 433 F HN 0.494 nan 8.300 nan 0.000 0.562 434 T N 1.879 116.592 114.554 0.265 0.000 2.824 434 T HA 0.417 4.767 4.350 -0.000 0.000 0.277 434 T C -2.673 172.147 174.700 0.200 0.000 0.975 434 T CA -2.220 60.005 62.100 0.208 0.000 0.966 434 T CB 0.938 69.889 68.868 0.139 0.000 1.054 434 T HN 0.156 nan 8.240 nan 0.000 0.533 435 P HA 0.112 nan 4.420 nan 0.000 0.266 435 P C -0.326 177.075 177.300 0.170 0.000 1.195 435 P CA 0.333 63.529 63.100 0.160 0.000 0.768 435 P CB -0.207 31.597 31.700 0.173 0.000 0.838 436 Y N -0.699 119.557 120.300 -0.075 0.000 4.779 436 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 436 Y C 1.885 177.517 175.900 -0.447 0.000 0.973 436 Y CA 1.402 59.285 58.100 -0.361 0.000 1.792 436 Y CB -2.162 35.986 38.460 -0.520 0.000 1.120 436 Y HN 0.439 nan 8.280 nan 0.000 0.450 437 Q N -0.581 119.114 119.800 -0.175 0.000 2.167 437 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 437 Q C 1.564 177.342 176.000 -0.370 0.000 0.970 437 Q CA 1.638 57.176 55.803 -0.441 0.000 0.855 437 Q CB -0.269 28.142 28.738 -0.545 0.000 0.911 437 Q HN 0.564 nan 8.270 nan 0.000 0.438 438 F N 1.798 121.799 119.950 0.085 0.000 2.102 438 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 438 F C 2.684 178.549 175.800 0.108 0.000 1.105 438 F CA 1.803 59.984 58.000 0.302 0.000 1.239 438 F CB -0.357 38.821 39.000 0.298 0.000 0.991 438 F HN 0.165 nan 8.300 nan 0.000 0.474 439 Q N -1.119 118.781 119.800 0.166 0.000 2.187 439 Q HA -0.146 4.194 4.340 -0.000 0.000 0.199 439 Q C 1.524 177.595 176.000 0.118 0.000 0.957 439 Q CA 1.464 57.325 55.803 0.096 0.000 0.857 439 Q CB -0.569 28.175 28.738 0.011 0.000 0.929 439 Q HN 0.394 nan 8.270 nan 0.000 0.453 440 H N -0.929 118.057 119.070 -0.141 0.000 2.448 440 H HA 0.108 4.664 4.556 -0.000 0.000 0.292 440 H C 0.707 175.908 175.328 -0.211 0.000 1.035 440 H CA 0.548 56.407 56.048 -0.314 0.000 1.349 440 H CB 0.247 29.578 29.762 -0.720 0.000 1.425 440 H HN 0.282 nan 8.280 nan 0.000 0.539 441 F N -0.739 119.225 119.950 0.024 0.000 2.724 441 F HA 0.215 4.742 4.527 -0.000 0.000 0.306 441 F C 2.271 178.080 175.800 0.015 0.000 1.100 441 F CA -0.167 57.786 58.000 -0.078 0.000 1.255 441 F CB -0.116 38.706 39.000 -0.297 0.000 1.072 441 F HN -0.105 nan 8.300 nan 0.000 0.589 442 S N 0.561 116.432 115.700 0.286 0.000 2.359 442 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 442 S C 1.601 176.333 174.600 0.221 0.000 1.039 442 S CA 2.017 60.411 58.200 0.323 0.000 1.042 442 S CB -0.257 63.162 63.200 0.365 0.000 0.915 442 S HN 0.296 nan 8.310 nan 0.000 0.439 443 D N 0.975 121.483 120.400 0.179 0.000 2.084 443 D HA -0.034 4.606 4.640 -0.000 0.000 0.194 443 D C -0.717 175.641 176.300 0.095 0.000 0.990 443 D CA 1.107 55.184 54.000 0.127 0.000 0.826 443 D CB -1.808 39.057 40.800 0.109 0.000 0.971 443 D HN 0.314 nan 8.370 nan 0.000 0.453 444 P HA -0.078 nan 4.420 nan 0.000 0.218 444 P C 1.699 178.985 177.300 -0.024 0.000 1.148 444 P CA 0.826 63.947 63.100 0.035 0.000 0.822 444 P CB -0.039 31.699 31.700 0.063 0.000 0.784 445 L N -0.934 120.315 121.223 0.044 0.000 2.131 445 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 445 L C 2.432 179.314 176.870 0.020 0.000 1.087 445 L CA 2.010 56.886 54.840 0.059 0.000 0.767 445 L CB -1.424 40.775 42.059 0.232 0.000 0.917 445 L HN 0.110 nan 8.230 nan 0.000 0.441 446 T N -2.527 112.063 114.554 0.060 0.000 3.043 446 T HA 0.208 4.558 4.350 -0.000 0.000 0.263 446 T C 0.984 175.738 174.700 0.091 0.000 1.094 446 T CA 0.247 62.392 62.100 0.075 0.000 1.127 446 T CB -0.214 68.709 68.868 0.092 0.000 0.905 446 T HN 0.181 nan 8.240 nan 0.000 0.490 447 A N 2.558 125.404 122.820 0.044 0.000 2.511 447 A HA 0.508 4.828 4.320 -0.000 0.000 0.242 447 A C 0.887 178.512 177.584 0.068 0.000 1.069 447 A CA -0.254 51.805 52.037 0.037 0.000 0.763 447 A CB -0.079 18.921 19.000 0.001 0.000 1.001 447 A HN 0.708 nan 8.150 nan 0.000 0.498 448 S N 1.676 117.378 115.700 0.003 0.000 2.632 448 S HA 0.473 4.943 4.470 -0.000 0.000 0.267 448 S C -0.180 174.379 174.600 -0.069 0.000 1.276 448 S CA -0.463 57.657 58.200 -0.134 0.000 0.998 448 S CB 1.033 63.790 63.200 -0.739 0.000 0.953 448 S HN 0.801 nan 8.310 nan 0.000 0.547 449 Q N 0.564 120.344 119.800 -0.034 0.000 2.397 449 Q HA 0.490 4.830 4.340 -0.000 0.000 0.260 449 Q C 0.653 176.643 176.000 -0.016 0.000 1.002 449 Q CA 0.132 55.934 55.803 -0.001 0.000 0.716 449 Q CB 0.401 29.173 28.738 0.057 0.000 1.258 449 Q HN 1.266 nan 8.270 nan 0.000 0.477 450 G N 3.372 112.157 108.800 -0.025 0.000 2.596 450 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.304 450 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.304 450 G C 0.379 175.300 174.900 0.034 0.000 1.189 450 G CA 0.442 45.553 45.100 0.018 0.000 0.986 450 G HN 0.678 nan 8.290 nan 0.000 0.548 451 R N 0.149 120.715 120.500 0.110 0.000 2.334 451 R HA 0.387 4.727 4.340 -0.000 0.000 0.220 451 R C 0.484 176.964 176.300 0.299 0.000 0.917 451 R CA -0.014 56.257 56.100 0.286 0.000 1.073 451 R CB 0.051 30.422 30.300 0.118 0.000 1.056 451 R HN 0.442 nan 8.270 nan 0.000 0.506 452 I N 1.014 121.634 120.570 0.083 0.000 2.321 452 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 452 I C -0.613 175.389 176.117 -0.191 0.000 0.998 452 I CA -0.733 60.577 61.300 0.018 0.000 1.227 452 I CB 0.767 38.791 38.000 0.040 0.000 1.368 452 I HN -0.112 nan 8.210 nan 0.000 0.466 453 Y N 5.313 125.496 120.300 -0.195 0.000 2.587 453 Y HA 0.639 5.189 4.550 -0.000 0.000 0.337 453 Y C -0.550 175.096 175.900 -0.424 0.000 1.065 453 Y CA -0.822 57.206 58.100 -0.119 0.000 1.126 453 Y CB 1.665 40.096 38.460 -0.049 0.000 1.279 453 Y HN 0.267 nan 8.280 nan 0.000 0.489 454 F N 0.510 120.574 119.950 0.189 0.000 2.556 454 F HA 0.806 5.332 4.527 -0.000 0.000 0.314 454 F C -0.019 175.803 175.800 0.038 0.000 1.106 454 F CA -0.791 57.280 58.000 0.118 0.000 0.911 454 F CB 1.869 40.931 39.000 0.104 0.000 1.190 454 F HN 0.544 nan 8.300 nan 0.000 0.448 455 A N 1.250 124.158 122.820 0.148 0.000 2.552 455 A HA 1.011 5.331 4.320 -0.000 0.000 0.288 455 A C -0.328 177.226 177.584 -0.050 0.000 1.193 455 A CA -0.428 51.614 52.037 0.008 0.000 0.713 455 A CB 1.584 20.587 19.000 0.006 0.000 1.305 455 A HN 1.759 nan 8.150 nan 0.000 0.424 456 G N -1.084 107.662 108.800 -0.091 0.000 2.362 456 G HA2 0.229 4.188 3.960 -0.000 0.000 0.656 456 G HA3 0.229 4.188 3.960 -0.000 0.000 0.656 456 G C 0.291 175.132 174.900 -0.099 0.000 1.376 456 G CA 0.386 45.461 45.100 -0.042 0.000 0.971 456 G HN 1.143 nan 8.290 nan 0.000 0.636 457 E N -0.697 119.525 120.200 0.036 0.000 2.114 457 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 457 E C 2.072 178.710 176.600 0.063 0.000 1.008 457 E CA 2.546 58.984 56.400 0.063 0.000 0.810 457 E CB -0.276 29.476 29.700 0.085 0.000 0.739 457 E HN 0.826 nan 8.360 nan 0.000 0.456 458 Y N 0.098 120.425 120.300 0.045 0.000 2.497 458 Y HA -0.010 4.540 4.550 -0.000 0.000 0.292 458 Y C 2.187 178.176 175.900 0.149 0.000 1.137 458 Y CA 1.290 59.386 58.100 -0.008 0.000 1.285 458 Y CB -0.888 37.599 38.460 0.044 0.000 0.991 458 Y HN 0.031 nan 8.280 nan 0.000 0.556 459 T N -1.955 112.306 114.554 -0.489 0.000 3.081 459 T HA 0.519 4.868 4.350 -0.000 0.000 0.250 459 T C 0.890 175.565 174.700 -0.041 0.000 1.100 459 T CA 0.034 61.984 62.100 -0.251 0.000 1.038 459 T CB -0.535 68.127 68.868 -0.344 0.000 0.962 459 T HN 0.472 nan 8.240 nan 0.000 0.516 460 A N 1.167 123.983 122.820 -0.006 0.000 2.313 460 A HA 0.435 4.755 4.320 -0.000 0.000 0.261 460 A C 1.314 178.900 177.584 0.005 0.000 1.090 460 A CA -0.548 51.490 52.037 0.000 0.000 0.807 460 A CB 0.426 19.434 19.000 0.013 0.000 1.055 460 A HN 0.419 nan 8.150 nan 0.000 0.492 461 Q N -0.461 119.323 119.800 -0.027 0.000 2.311 461 Q HA 0.115 4.455 4.340 -0.000 0.000 0.203 461 Q C 0.535 176.446 176.000 -0.150 0.000 0.954 461 Q CA 1.111 56.893 55.803 -0.035 0.000 0.885 461 Q CB 0.031 28.763 28.738 -0.011 0.000 0.963 461 Q HN 0.781 nan 8.270 nan 0.000 0.471 462 A N 0.079 122.795 122.820 -0.174 0.000 2.401 462 A HA 0.587 4.907 4.320 -0.000 0.000 0.310 462 A C -1.520 175.955 177.584 -0.182 0.000 1.075 462 A CA -0.673 51.222 52.037 -0.236 0.000 0.746 462 A CB 0.760 19.719 19.000 -0.069 0.000 1.277 462 A HN 0.225 nan 8.150 nan 0.000 0.425 463 H N -0.470 118.591 119.070 -0.014 0.000 2.533 463 H HA 0.550 5.106 4.556 -0.000 0.000 0.343 463 H C 0.994 176.306 175.328 -0.027 0.000 1.160 463 H CA 0.046 56.062 56.048 -0.054 0.000 1.218 463 H CB 1.627 31.291 29.762 -0.162 0.000 1.566 463 H HN 1.416 nan 8.280 nan 0.000 0.522 464 G N 0.966 109.770 108.800 0.006 0.000 2.137 464 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 464 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 464 G C -0.883 173.649 174.900 -0.614 0.000 1.002 464 G CA -0.165 44.764 45.100 -0.285 0.000 0.702 464 G HN 0.600 nan 8.290 nan 0.000 0.515 465 W N -1.221 120.122 121.300 0.073 0.000 3.042 465 W HA 0.641 5.301 4.660 -0.000 0.000 0.337 465 W C 1.238 177.752 176.519 -0.008 0.000 1.086 465 W CA -1.245 56.135 57.345 0.058 0.000 1.236 465 W CB 0.716 30.228 29.460 0.087 0.000 1.381 465 W HN -0.052 nan 8.180 nan 0.000 0.472 466 I N 0.969 121.689 120.570 0.250 0.000 2.151 466 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 466 I C 2.051 178.214 176.117 0.077 0.000 1.080 466 I CA 2.024 63.401 61.300 0.128 0.000 1.339 466 I CB -0.240 37.836 38.000 0.127 0.000 1.039 466 I HN 0.584 nan 8.210 nan 0.000 0.409 467 D N 0.140 120.565 120.400 0.041 0.000 2.116 467 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 467 D C 2.298 178.548 176.300 -0.082 0.000 0.998 467 D CA 1.798 55.742 54.000 -0.094 0.000 0.836 467 D CB 0.023 40.544 40.800 -0.465 0.000 0.951 467 D HN 0.120 nan 8.370 nan 0.000 0.449 468 S N -1.707 113.940 115.700 -0.089 0.000 2.383 468 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 468 S C 1.933 176.513 174.600 -0.034 0.000 1.026 468 S CA 1.663 59.834 58.200 -0.048 0.000 0.981 468 S CB -0.493 62.698 63.200 -0.014 0.000 0.818 468 S HN 0.335 nan 8.310 nan 0.000 0.472 469 T N 2.618 117.171 114.554 -0.001 0.000 2.674 469 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 469 T C 1.702 176.376 174.700 -0.042 0.000 1.039 469 T CA 1.550 63.642 62.100 -0.012 0.000 1.150 469 T CB -0.415 68.461 68.868 0.013 0.000 0.864 469 T HN 0.381 nan 8.240 nan 0.000 0.427 470 I N 0.850 121.399 120.570 -0.034 0.000 2.151 470 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 470 I C 2.697 178.763 176.117 -0.085 0.000 1.080 470 I CA 1.460 62.732 61.300 -0.047 0.000 1.339 470 I CB -0.367 37.630 38.000 -0.006 0.000 1.039 470 I HN 0.207 nan 8.210 nan 0.000 0.409 471 K N 0.831 121.156 120.400 -0.126 0.000 2.103 471 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 471 K C 2.355 178.730 176.600 -0.375 0.000 1.048 471 K CA 1.903 58.011 56.287 -0.298 0.000 0.930 471 K CB -0.064 32.268 32.500 -0.279 0.000 0.716 471 K HN 0.425 nan 8.250 nan 0.000 0.444 472 S N -0.472 115.100 115.700 -0.213 0.000 2.382 472 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 472 S C 2.130 176.652 174.600 -0.130 0.000 1.027 472 S CA 1.255 59.353 58.200 -0.170 0.000 0.991 472 S CB -0.701 62.434 63.200 -0.108 0.000 0.823 472 S HN 0.425 nan 8.310 nan 0.000 0.469 473 G N 2.018 110.759 108.800 -0.099 0.000 2.404 473 G HA2 0.002 3.962 3.960 -0.000 0.000 0.215 473 G HA3 0.002 3.962 3.960 -0.000 0.000 0.215 473 G C 1.498 176.370 174.900 -0.047 0.000 1.174 473 G CA 0.848 45.916 45.100 -0.054 0.000 0.780 473 G HN 0.509 nan 8.290 nan 0.000 0.537 474 L N 0.022 121.204 121.223 -0.068 0.000 2.042 474 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 474 L C 2.926 179.839 176.870 0.072 0.000 1.076 474 L CA 1.477 56.333 54.840 0.027 0.000 0.749 474 L CB -0.463 41.646 42.059 0.083 0.000 0.893 474 L HN 0.215 nan 8.230 nan 0.000 0.432 475 R N 0.578 120.964 120.500 -0.189 0.000 2.070 475 R HA -0.188 4.152 4.340 -0.000 0.000 0.233 475 R C 2.353 178.698 176.300 0.075 0.000 1.137 475 R CA 1.638 57.721 56.100 -0.028 0.000 0.945 475 R CB -0.265 29.909 30.300 -0.210 0.000 0.845 475 R HN 0.329 nan 8.270 nan 0.000 0.430 476 A N 0.727 123.556 122.820 0.016 0.000 1.933 476 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 476 A C 2.362 179.867 177.584 -0.131 0.000 1.175 476 A CA 1.655 53.695 52.037 0.004 0.000 0.628 476 A CB -0.701 18.321 19.000 0.036 0.000 0.814 476 A HN 0.570 nan 8.150 nan 0.000 0.444 477 A N -0.228 122.549 122.820 -0.071 0.000 1.877 477 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 477 A C 2.249 179.783 177.584 -0.084 0.000 1.186 477 A CA 1.788 53.769 52.037 -0.093 0.000 0.620 477 A CB -0.539 18.460 19.000 -0.001 0.000 0.822 477 A HN 0.555 nan 8.150 nan 0.000 0.443 478 R N -0.364 120.154 120.500 0.031 0.000 2.083 478 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 478 R C 1.538 177.814 176.300 -0.039 0.000 1.137 478 R CA 2.015 58.139 56.100 0.040 0.000 0.951 478 R CB -0.399 29.990 30.300 0.149 0.000 0.851 478 R HN 0.469 nan 8.270 nan 0.000 0.434 479 D N -0.217 120.152 120.400 -0.051 0.000 2.104 479 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 479 D C 1.945 178.047 176.300 -0.330 0.000 0.994 479 D CA 1.325 55.272 54.000 -0.089 0.000 0.830 479 D CB -0.257 40.579 40.800 0.061 0.000 0.959 479 D HN 0.105 nan 8.370 nan 0.000 0.452 480 V N 1.205 120.724 119.914 -0.658 0.000 2.343 480 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 480 V C 2.202 177.945 176.094 -0.584 0.000 1.051 480 V CA 1.615 63.357 62.300 -0.930 0.000 1.036 480 V CB -0.559 30.685 31.823 -0.964 0.000 0.654 480 V HN 0.147 nan 8.190 nan 0.000 0.451 481 N N 0.220 118.728 118.700 -0.321 0.000 2.120 481 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 481 N C 1.645 177.122 175.510 -0.054 0.000 1.024 481 N CA 1.591 54.584 53.050 -0.095 0.000 0.852 481 N CB -0.298 38.202 38.487 0.022 0.000 1.003 481 N HN 0.443 nan 8.380 nan 0.000 0.424 482 L N -0.376 120.801 121.223 -0.077 0.000 2.093 482 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 482 L C 2.322 179.177 176.870 -0.025 0.000 1.085 482 L CA 1.164 55.986 54.840 -0.030 0.000 0.755 482 L CB -0.500 41.551 42.059 -0.014 0.000 0.904 482 L HN 0.182 nan 8.230 nan 0.000 0.435 483 A N -0.144 122.622 122.820 -0.090 0.000 2.015 483 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 483 A C 2.514 180.125 177.584 0.044 0.000 1.163 483 A CA 1.701 53.719 52.037 -0.031 0.000 0.646 483 A CB -0.544 18.400 19.000 -0.094 0.000 0.806 483 A HN 0.512 nan 8.150 nan 0.000 0.448 484 S N -0.230 115.465 115.700 -0.007 0.000 2.428 484 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 484 S C 1.580 176.259 174.600 0.132 0.000 1.014 484 S CA 1.197 59.483 58.200 0.143 0.000 0.957 484 S CB -0.307 63.008 63.200 0.191 0.000 0.784 484 S HN 0.663 nan 8.310 nan 0.000 0.499 485 E N 1.696 121.947 120.200 0.084 0.000 2.015 485 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 485 E C 1.137 177.776 176.600 0.065 0.000 0.991 485 E CA 0.775 57.214 56.400 0.065 0.000 0.802 485 E CB -0.260 29.465 29.700 0.041 0.000 0.759 485 E HN 0.592 nan 8.360 nan 0.000 0.447 486 N N 0.000 118.738 118.700 0.064 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.089 53.050 0.065 0.000 0.885 486 N CB 0.000 38.525 38.487 0.063 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667