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 3h1c_1_O DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 L N 3.295 124.525 121.223 0.012 0.000 2.276 2 L HA 0.624 4.964 4.340 -0.000 0.000 0.286 2 L C -0.794 176.086 176.870 0.015 0.000 1.061 2 L CA -0.720 54.129 54.840 0.015 0.000 0.807 2 L CB 1.191 43.258 42.059 0.013 0.000 1.177 2 L HN 0.558 nan 8.230 nan 0.000 0.429 3 N N 4.344 123.055 118.700 0.019 0.000 2.504 3 N HA 0.390 5.130 4.740 -0.000 0.000 0.280 3 N C -2.558 172.967 175.510 0.025 0.000 1.052 3 N CA -1.035 52.026 53.050 0.020 0.000 0.887 3 N CB 2.081 40.578 38.487 0.018 0.000 1.323 3 N HN 0.318 nan 8.380 nan 0.000 0.509 4 P HA 0.381 nan 4.420 nan 0.000 0.279 4 P C -0.403 176.916 177.300 0.032 0.000 1.239 4 P CA -0.266 62.854 63.100 0.032 0.000 0.789 4 P CB 1.298 33.018 31.700 0.032 0.000 0.933 5 I N 2.733 123.325 120.570 0.036 0.000 2.337 5 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 5 I C 0.204 176.345 176.117 0.040 0.000 1.041 5 I CA -0.748 60.572 61.300 0.034 0.000 1.199 5 I CB 1.579 39.598 38.000 0.031 0.000 1.370 5 I HN 0.066 nan 8.210 nan 0.000 0.470 6 V N 7.366 127.304 119.914 0.041 0.000 2.769 6 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 6 V C -0.797 175.331 176.094 0.056 0.000 1.061 6 V CA -0.475 61.854 62.300 0.049 0.000 0.931 6 V CB 2.492 34.342 31.823 0.045 0.000 1.010 6 V HN 0.780 nan 8.190 nan 0.000 0.433 7 R N 4.295 124.841 120.500 0.077 0.000 2.564 7 R HA 0.539 4.879 4.340 -0.000 0.000 0.284 7 R C -1.398 174.992 176.300 0.150 0.000 1.031 7 R CA -0.739 55.422 56.100 0.102 0.000 0.904 7 R CB 2.047 32.406 30.300 0.098 0.000 1.199 7 R HN 0.738 nan 8.270 nan 0.000 0.443 8 K N 3.963 124.449 120.400 0.143 0.000 2.259 8 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 8 K C -1.192 175.544 176.600 0.226 0.000 0.936 8 K CA -0.620 55.741 56.287 0.123 0.000 0.810 8 K CB 1.604 34.134 32.500 0.049 0.000 1.143 8 K HN 0.396 nan 8.250 nan 0.000 0.427 9 F N -0.888 119.081 119.950 0.030 0.000 2.619 9 F HA 0.384 4.911 4.527 -0.000 0.000 0.308 9 F C -0.881 174.959 175.800 0.067 0.000 1.097 9 F CA -1.281 56.740 58.000 0.035 0.000 0.953 9 F CB 1.330 40.340 39.000 0.017 0.000 1.287 9 F HN 0.262 nan 8.300 nan 0.000 0.446 10 Q N 2.056 121.953 119.800 0.162 0.000 2.288 10 Q HA 0.351 4.691 4.340 -0.000 0.000 0.254 10 Q C -1.930 174.214 176.000 0.240 0.000 0.932 10 Q CA -0.087 55.775 55.803 0.097 0.000 0.902 10 Q CB 0.847 29.638 28.738 0.088 0.000 1.203 10 Q HN 0.691 nan 8.270 nan 0.000 0.415 11 Y N 4.460 124.753 120.300 -0.011 0.000 2.400 11 Y HA 0.489 5.039 4.550 -0.000 0.000 0.335 11 Y C 0.571 176.489 175.900 0.029 0.000 1.066 11 Y CA 0.183 58.315 58.100 0.052 0.000 1.285 11 Y CB 0.649 39.140 38.460 0.052 0.000 1.103 11 Y HN 0.749 nan 8.280 nan 0.000 0.490 12 G N 4.131 112.809 108.800 -0.203 0.000 5.206 12 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.328 12 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.328 12 G C 0.769 175.551 174.900 -0.196 0.000 1.382 12 G CA 1.119 46.058 45.100 -0.269 0.000 0.994 12 G HN 0.508 nan 8.290 nan 0.000 0.800 13 Q N 0.239 119.869 119.800 -0.283 0.000 2.254 13 Q HA 0.196 4.536 4.340 -0.000 0.000 0.259 13 Q C 0.431 176.150 176.000 -0.467 0.000 0.815 13 Q CA 0.529 56.092 55.803 -0.400 0.000 0.961 13 Q CB 0.774 29.173 28.738 -0.564 0.000 1.140 13 Q HN 0.818 nan 8.270 nan 0.000 0.502 14 H N 1.010 120.039 119.070 -0.068 0.000 2.529 14 H HA 0.375 4.931 4.556 -0.000 0.000 0.348 14 H C 0.008 175.301 175.328 -0.057 0.000 1.152 14 H CA -0.240 55.781 56.048 -0.046 0.000 1.202 14 H CB 1.536 31.279 29.762 -0.032 0.000 1.562 14 H HN -0.061 nan 8.280 nan 0.000 0.515 15 T N -0.304 114.276 114.554 0.043 0.000 2.780 15 T HA 0.380 4.730 4.350 -0.000 0.000 0.294 15 T C 0.306 174.922 174.700 -0.140 0.000 0.949 15 T CA -0.830 61.229 62.100 -0.069 0.000 1.074 15 T CB 0.280 69.122 68.868 -0.043 0.000 0.910 15 T HN 0.219 nan 8.240 nan 0.000 0.501 16 V N 3.918 123.599 119.914 -0.388 0.000 2.407 16 V HA 0.482 4.602 4.120 -0.000 0.000 0.278 16 V C 0.431 176.335 176.094 -0.316 0.000 1.037 16 V CA -0.729 61.311 62.300 -0.433 0.000 0.900 16 V CB 1.289 32.645 31.823 -0.778 0.000 0.983 16 V HN 1.085 nan 8.190 nan 0.000 0.459 17 T N 6.416 120.902 114.554 -0.113 0.000 2.786 17 T HA 0.673 5.023 4.350 -0.000 0.000 0.283 17 T C -0.627 174.094 174.700 0.035 0.000 0.992 17 T CA -0.307 61.783 62.100 -0.017 0.000 0.954 17 T CB 1.077 69.944 68.868 -0.001 0.000 0.934 17 T HN 0.285 nan 8.240 nan 0.000 0.440 18 L N 3.207 124.478 121.223 0.080 0.000 2.305 18 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 18 L C 0.138 177.052 176.870 0.074 0.000 1.013 18 L CA -0.307 54.585 54.840 0.086 0.000 0.819 18 L CB 1.606 43.735 42.059 0.116 0.000 1.227 18 L HN 0.628 nan 8.230 nan 0.000 0.417 19 E N 1.736 121.979 120.200 0.072 0.000 2.222 19 E HA 0.680 5.030 4.350 -0.000 0.000 0.267 19 E C -1.326 175.321 176.600 0.077 0.000 0.884 19 E CA -0.412 56.032 56.400 0.072 0.000 0.764 19 E CB 1.934 31.679 29.700 0.076 0.000 1.169 19 E HN 0.498 nan 8.360 nan 0.000 0.413 20 T N 1.665 116.258 114.554 0.064 0.000 2.894 20 T HA 0.615 4.965 4.350 -0.000 0.000 0.309 20 T C 0.285 175.020 174.700 0.058 0.000 1.208 20 T CA 0.549 62.686 62.100 0.062 0.000 1.016 20 T CB 1.350 70.239 68.868 0.036 0.000 1.192 20 T HN 0.757 nan 8.240 nan 0.000 0.491 21 G N 2.595 111.433 108.800 0.063 0.000 2.278 21 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.210 21 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.210 21 G C 0.837 175.771 174.900 0.057 0.000 1.000 21 G CA 0.714 45.846 45.100 0.053 0.000 0.635 21 G HN 0.745 nan 8.290 nan 0.000 0.495 22 M N 0.147 119.787 119.600 0.066 0.000 2.369 22 M HA 0.546 5.026 4.480 -0.000 0.000 0.254 22 M C 1.180 177.521 176.300 0.068 0.000 1.136 22 M CA 0.638 55.971 55.300 0.055 0.000 1.190 22 M CB 0.200 32.825 32.600 0.043 0.000 1.289 22 M HN 0.214 nan 8.290 nan 0.000 0.468 23 M N 1.291 120.955 119.600 0.108 0.000 2.211 23 M HA 0.287 4.767 4.480 -0.000 0.000 0.356 23 M C 0.341 176.779 176.300 0.231 0.000 1.216 23 M CA -0.040 55.342 55.300 0.136 0.000 1.134 23 M CB 0.979 33.638 32.600 0.098 0.000 1.564 23 M HN 0.484 nan 8.290 nan 0.000 0.463 24 A N 2.814 125.749 122.820 0.192 0.000 2.183 24 A HA -0.202 4.118 4.320 -0.000 0.000 0.278 24 A C 0.830 178.482 177.584 0.113 0.000 1.404 24 A CA 0.739 52.881 52.037 0.175 0.000 0.737 24 A CB -1.174 17.983 19.000 0.261 0.000 1.172 24 A HN 1.023 nan 8.150 nan 0.000 0.338 25 R N -0.319 120.231 120.500 0.083 0.000 2.200 25 R HA -0.036 4.304 4.340 -0.000 0.000 0.208 25 R C 2.143 178.478 176.300 0.058 0.000 1.033 25 R CA 1.203 57.342 56.100 0.064 0.000 1.000 25 R CB 0.021 30.352 30.300 0.051 0.000 0.906 25 R HN 0.869 nan 8.270 nan 0.000 0.462 26 Q N 0.699 120.534 119.800 0.058 0.000 2.311 26 Q HA 0.076 4.416 4.340 -0.000 0.000 0.203 26 Q C 0.118 176.153 176.000 0.058 0.000 0.954 26 Q CA 0.383 56.217 55.803 0.052 0.000 0.885 26 Q CB 0.305 29.071 28.738 0.046 0.000 0.963 26 Q HN 0.235 nan 8.270 nan 0.000 0.471 27 A N -0.205 122.653 122.820 0.063 0.000 2.346 27 A HA 0.159 4.479 4.320 -0.000 0.000 0.252 27 A C 1.027 178.647 177.584 0.060 0.000 1.089 27 A CA 0.101 52.172 52.037 0.057 0.000 0.797 27 A CB 0.473 19.502 19.000 0.048 0.000 1.047 27 A HN 0.366 nan 8.150 nan 0.000 0.494 28 T N 0.538 115.131 114.554 0.064 0.000 2.746 28 T HA 0.264 4.614 4.350 -0.000 0.000 0.267 28 T C 0.754 175.483 174.700 0.048 0.000 1.039 28 T CA 1.696 63.848 62.100 0.087 0.000 1.142 28 T CB -0.231 68.706 68.868 0.116 0.000 0.866 28 T HN 1.407 nan 8.240 nan 0.000 0.444 29 A N -0.100 122.722 122.820 0.003 0.000 2.547 29 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 29 A C -1.547 175.993 177.584 -0.074 0.000 1.056 29 A CA -0.472 51.548 52.037 -0.029 0.000 0.688 29 A CB 1.378 20.345 19.000 -0.056 0.000 1.282 29 A HN 0.516 nan 8.150 nan 0.000 0.400 30 A N 1.165 123.939 122.820 -0.077 0.000 2.429 30 A HA 0.655 4.975 4.320 -0.000 0.000 0.289 30 A C -1.406 176.106 177.584 -0.121 0.000 1.043 30 A CA -0.356 51.579 52.037 -0.171 0.000 0.722 30 A CB 1.234 20.181 19.000 -0.087 0.000 1.243 30 A HN 1.531 nan 8.150 nan 0.000 0.415 31 V N 3.250 123.047 119.914 -0.195 0.000 2.407 31 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 31 V C -0.127 175.937 176.094 -0.051 0.000 1.018 31 V CA -0.357 61.897 62.300 -0.077 0.000 0.842 31 V CB 1.489 33.275 31.823 -0.061 0.000 0.996 31 V HN 0.964 nan 8.190 nan 0.000 0.426 32 M N 6.888 126.551 119.600 0.105 0.000 2.264 32 M HA 0.405 4.885 4.480 -0.000 0.000 0.340 32 M C -0.799 175.568 176.300 0.112 0.000 1.420 32 M CA 0.333 55.757 55.300 0.206 0.000 1.254 32 M CB 0.794 33.556 32.600 0.270 0.000 1.575 32 M HN 0.483 nan 8.290 nan 0.000 0.452 33 V N 5.375 125.340 119.914 0.085 0.000 2.532 33 V HA 0.919 5.039 4.120 -0.000 0.000 0.295 33 V C -0.844 175.283 176.094 0.055 0.000 1.041 33 V CA 0.024 62.358 62.300 0.057 0.000 0.926 33 V CB 1.975 33.820 31.823 0.037 0.000 0.992 33 V HN 0.973 nan 8.190 nan 0.000 0.457 34 S N 6.329 122.047 115.700 0.030 0.000 2.649 34 S HA 0.546 5.016 4.470 -0.000 0.000 0.274 34 S C -0.964 173.627 174.600 -0.014 0.000 1.176 34 S CA -0.679 57.531 58.200 0.017 0.000 0.988 34 S CB 1.303 64.519 63.200 0.025 0.000 1.071 34 S HN 0.900 nan 8.310 nan 0.000 0.478 35 M N 3.193 122.781 119.600 -0.020 0.000 2.078 35 M HA 0.387 4.867 4.480 -0.000 0.000 0.320 35 M C -0.745 175.518 176.300 -0.062 0.000 0.969 35 M CA 0.176 55.454 55.300 -0.036 0.000 0.929 35 M CB 0.589 33.178 32.600 -0.018 0.000 1.504 35 M HN 0.992 nan 8.290 nan 0.000 0.419 36 D N 4.937 125.329 120.400 -0.013 0.000 2.886 36 D HA -0.185 4.455 4.640 -0.000 0.000 0.221 36 D C 0.258 176.542 176.300 -0.026 0.000 1.227 36 D CA 2.593 56.603 54.000 0.017 0.000 0.746 36 D CB -0.558 40.296 40.800 0.089 0.000 0.935 36 D HN 1.105 nan 8.370 nan 0.000 0.399 37 D N -1.863 118.533 120.400 -0.007 0.000 4.581 37 D HA -0.262 4.378 4.640 -0.000 0.000 0.158 37 D C 0.641 176.938 176.300 -0.006 0.000 0.758 37 D CA 1.004 55.002 54.000 -0.003 0.000 1.778 37 D CB -1.936 38.861 40.800 -0.006 0.000 1.039 37 D HN 0.845 nan 8.370 nan 0.000 0.501 38 T N 1.085 115.627 114.554 -0.019 0.000 2.826 38 T HA 0.436 4.786 4.350 -0.000 0.000 0.301 38 T C 0.415 175.122 174.700 0.011 0.000 1.038 38 T CA 1.570 63.666 62.100 -0.007 0.000 1.134 38 T CB 0.270 69.126 68.868 -0.020 0.000 1.083 38 T HN 2.090 nan 8.240 nan 0.000 0.494 39 A N 2.022 124.860 122.820 0.030 0.000 2.517 39 A HA 0.644 4.963 4.320 -0.000 0.000 0.297 39 A C -1.129 176.498 177.584 0.072 0.000 1.050 39 A CA -0.717 51.352 52.037 0.053 0.000 0.694 39 A CB 1.755 20.791 19.000 0.060 0.000 1.277 39 A HN 0.672 nan 8.150 nan 0.000 0.400 40 V N 2.204 122.175 119.914 0.093 0.000 2.482 40 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 40 V C -0.987 175.195 176.094 0.147 0.000 1.026 40 V CA -0.301 62.065 62.300 0.110 0.000 0.856 40 V CB 1.415 33.307 31.823 0.114 0.000 1.001 40 V HN 0.863 nan 8.190 nan 0.000 0.424 41 F N 6.441 126.401 119.950 0.017 0.000 2.438 41 F HA 0.584 5.111 4.527 -0.000 0.000 0.360 41 F C -0.054 175.755 175.800 0.015 0.000 1.118 41 F CA -0.157 57.854 58.000 0.018 0.000 1.164 41 F CB 0.818 39.831 39.000 0.022 0.000 1.131 41 F HN 0.286 nan 8.300 nan 0.000 0.527 42 V N 4.835 124.466 119.914 -0.471 0.000 2.459 42 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 42 V C -0.198 175.576 176.094 -0.533 0.000 1.029 42 V CA -0.680 61.401 62.300 -0.364 0.000 0.874 42 V CB 1.753 33.468 31.823 -0.180 0.000 0.985 42 V HN 0.811 nan 8.190 nan 0.000 0.438 43 T N 1.064 115.406 114.554 -0.352 0.000 2.861 43 T HA 0.784 5.134 4.350 -0.000 0.000 0.287 43 T C -0.900 173.710 174.700 -0.149 0.000 1.003 43 T CA -0.764 61.176 62.100 -0.266 0.000 0.977 43 T CB 1.817 70.573 68.868 -0.187 0.000 0.996 43 T HN 0.318 nan 8.240 nan 0.000 0.448 44 V N 2.973 122.812 119.914 -0.125 0.000 2.407 44 V HA 0.569 4.689 4.120 -0.000 0.000 0.291 44 V C -0.604 175.458 176.094 -0.054 0.000 1.018 44 V CA -0.702 61.540 62.300 -0.097 0.000 0.842 44 V CB 1.674 33.417 31.823 -0.134 0.000 0.996 44 V HN 0.907 nan 8.190 nan 0.000 0.426 45 V N 4.107 124.002 119.914 -0.031 0.000 2.444 45 V HA 0.786 4.906 4.120 -0.000 0.000 0.294 45 V C 0.540 176.646 176.094 0.019 0.000 1.022 45 V CA -0.340 61.966 62.300 0.011 0.000 0.850 45 V CB 1.831 33.666 31.823 0.021 0.000 0.992 45 V HN 0.912 nan 8.190 nan 0.000 0.426 46 G N 2.740 111.577 108.800 0.062 0.000 2.415 46 G HA2 0.556 4.516 3.960 -0.000 0.000 0.327 46 G HA3 0.556 4.516 3.960 -0.000 0.000 0.327 46 G C -0.835 174.214 174.900 0.247 0.000 1.182 46 G CA -0.571 44.581 45.100 0.086 0.000 0.924 46 G HN 0.567 nan 8.290 nan 0.000 0.470 47 Q N 0.952 120.870 119.800 0.197 0.000 2.313 47 Q HA 0.205 4.545 4.340 -0.000 0.000 0.266 47 Q C 1.406 177.619 176.000 0.356 0.000 0.989 47 Q CA -0.125 55.798 55.803 0.200 0.000 0.890 47 Q CB 0.947 29.732 28.738 0.079 0.000 1.200 47 Q HN 0.442 nan 8.270 nan 0.000 0.396 48 K N 2.801 123.342 120.400 0.235 0.000 2.001 48 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 48 K C -0.159 176.469 176.600 0.047 0.000 1.048 48 K CA 1.348 57.667 56.287 0.053 0.000 0.932 48 K CB 0.070 32.514 32.500 -0.093 0.000 0.715 48 K HN 0.490 nan 8.250 nan 0.000 0.437 49 K N 0.936 121.360 120.400 0.041 0.000 2.213 49 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 49 K C -0.673 175.946 176.600 0.031 0.000 1.002 49 K CA -0.402 55.903 56.287 0.031 0.000 0.868 49 K CB 1.846 34.350 32.500 0.007 0.000 1.093 49 K HN 0.035 nan 8.250 nan 0.000 0.454 50 A N 1.912 124.748 122.820 0.026 0.000 2.388 50 A HA 0.083 4.403 4.320 -0.000 0.000 0.257 50 A C 0.037 177.610 177.584 -0.019 0.000 1.095 50 A CA -0.351 51.676 52.037 -0.017 0.000 0.791 50 A CB 0.511 19.498 19.000 -0.021 0.000 1.029 50 A HN 0.452 nan 8.150 nan 0.000 0.489 51 K N 3.507 123.882 120.400 -0.041 0.000 2.379 51 K HA 0.204 4.524 4.320 -0.000 0.000 0.284 51 K C -1.528 175.060 176.600 -0.020 0.000 1.044 51 K CA -0.715 55.554 56.287 -0.030 0.000 0.974 51 K CB 0.627 33.101 32.500 -0.044 0.000 0.962 51 K HN 0.713 nan 8.250 nan 0.000 0.474 52 P HA -0.064 nan 4.420 nan 0.000 0.218 52 P C 0.792 178.097 177.300 0.008 0.000 1.148 52 P CA 1.141 64.243 63.100 0.003 0.000 0.822 52 P CB 0.009 31.712 31.700 0.005 0.000 0.784 53 G N 0.722 109.528 108.800 0.009 0.000 3.939 53 G HA2 0.195 4.155 3.960 -0.000 0.000 0.268 53 G HA3 0.195 4.155 3.960 -0.000 0.000 0.268 53 G C 0.010 174.928 174.900 0.029 0.000 1.172 53 G CA -0.097 45.017 45.100 0.023 0.000 1.614 53 G HN 0.096 nan 8.290 nan 0.000 0.639 54 Q N 0.112 119.922 119.800 0.017 0.000 2.389 54 Q HA 0.271 4.611 4.340 -0.000 0.000 0.277 54 Q C -0.475 175.544 176.000 0.031 0.000 1.082 54 Q CA -0.547 55.259 55.803 0.005 0.000 0.810 54 Q CB 2.692 31.372 28.738 -0.097 0.000 1.374 54 Q HN 0.485 nan 8.270 nan 0.000 0.422 55 D N -0.599 119.852 120.400 0.086 0.000 2.218 55 D HA 0.023 4.663 4.640 -0.000 0.000 0.307 55 D C 0.428 176.822 176.300 0.156 0.000 1.086 55 D CA 0.116 54.184 54.000 0.114 0.000 0.886 55 D CB -0.109 40.770 40.800 0.131 0.000 1.645 55 D HN 0.340 nan 8.370 nan 0.000 0.523 56 F N 0.521 120.492 119.950 0.036 0.000 2.399 56 F HA 0.640 5.167 4.527 -0.000 0.000 0.328 56 F C -0.455 175.401 175.800 0.095 0.000 1.084 56 F CA -1.859 56.176 58.000 0.059 0.000 1.053 56 F CB 0.877 39.895 39.000 0.029 0.000 1.209 56 F HN -0.227 nan 8.300 nan 0.000 0.502 57 F N 5.187 125.078 119.950 -0.098 0.000 2.413 57 F HA 0.509 5.036 4.527 -0.000 0.000 0.359 57 F C -2.525 173.134 175.800 -0.235 0.000 1.122 57 F CA -3.611 54.256 58.000 -0.221 0.000 1.160 57 F CB 0.418 39.373 39.000 -0.075 0.000 1.146 57 F HN 0.272 nan 8.300 nan 0.000 0.514 58 P HA 0.262 nan 4.420 nan 0.000 0.284 58 P C -1.308 175.453 177.300 -0.899 0.000 1.432 58 P CA -0.290 62.385 63.100 -0.708 0.000 0.929 58 P CB 1.233 32.583 31.700 -0.583 0.000 1.158 59 L N 3.253 124.010 121.223 -0.777 0.000 2.319 59 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 59 L C -0.467 176.252 176.870 -0.251 0.000 1.005 59 L CA -0.075 54.406 54.840 -0.599 0.000 0.828 59 L CB 1.953 43.671 42.059 -0.569 0.000 1.227 59 L HN 0.244 nan 8.230 nan 0.000 0.415 60 T N 4.933 119.378 114.554 -0.182 0.000 2.815 60 T HA 0.601 4.951 4.350 -0.000 0.000 0.289 60 T C -1.113 173.552 174.700 -0.059 0.000 1.000 60 T CA -0.405 61.640 62.100 -0.092 0.000 0.958 60 T CB 0.644 69.469 68.868 -0.072 0.000 0.944 60 T HN 0.319 nan 8.240 nan 0.000 0.442 61 V N 7.007 126.903 119.914 -0.029 0.000 2.350 61 V HA 0.477 4.597 4.120 -0.000 0.000 0.276 61 V C -0.132 175.975 176.094 0.022 0.000 1.028 61 V CA -1.018 61.279 62.300 -0.004 0.000 0.860 61 V CB 1.204 33.029 31.823 0.004 0.000 0.990 61 V HN 0.803 nan 8.190 nan 0.000 0.453 62 N N 4.066 122.785 118.700 0.031 0.000 2.444 62 N HA 0.290 5.030 4.740 -0.000 0.000 0.262 62 N C -1.170 174.402 175.510 0.103 0.000 0.974 62 N CA -0.340 52.740 53.050 0.050 0.000 0.933 62 N CB 1.798 40.295 38.487 0.017 0.000 1.137 62 N HN 0.726 nan 8.380 nan 0.000 0.498 63 Y N 2.795 123.084 120.300 -0.019 0.000 2.478 63 Y HA 0.169 4.719 4.550 -0.000 0.000 0.329 63 Y C -0.522 175.369 175.900 -0.014 0.000 0.967 63 Y CA -0.838 57.252 58.100 -0.017 0.000 1.255 63 Y CB 0.671 39.120 38.460 -0.018 0.000 1.103 63 Y HN 0.397 nan 8.280 nan 0.000 0.497 64 Q N 4.056 123.637 119.800 -0.365 0.000 2.333 64 Q HA 0.447 4.787 4.340 -0.000 0.000 0.265 64 Q C -1.307 174.418 176.000 -0.458 0.000 0.989 64 Q CA -0.836 54.778 55.803 -0.316 0.000 0.842 64 Q CB 1.996 30.645 28.738 -0.148 0.000 1.262 64 Q HN 0.613 nan 8.270 nan 0.000 0.451 65 E N 3.228 123.187 120.200 -0.402 0.000 2.130 65 E HA 0.235 4.585 4.350 -0.000 0.000 0.284 65 E C -0.714 175.734 176.600 -0.253 0.000 1.018 65 E CA -0.457 55.739 56.400 -0.339 0.000 0.817 65 E CB 1.147 30.710 29.700 -0.229 0.000 1.078 65 E HN 0.377 nan 8.360 nan 0.000 0.396 66 R N 1.437 121.740 120.500 -0.328 0.000 2.297 66 R HA 0.105 4.445 4.340 -0.000 0.000 0.308 66 R C 1.227 177.242 176.300 -0.474 0.000 1.029 66 R CA -0.124 55.721 56.100 -0.426 0.000 0.929 66 R CB 0.882 30.786 30.300 -0.660 0.000 1.046 66 R HN 0.598 nan 8.270 nan 0.000 0.461 67 T N -1.123 113.262 114.554 -0.282 0.000 3.035 67 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 67 T C 1.626 176.267 174.700 -0.097 0.000 1.109 67 T CA 0.843 62.857 62.100 -0.144 0.000 1.119 67 T CB -0.323 68.522 68.868 -0.039 0.000 0.900 67 T HN 0.764 nan 8.240 nan 0.000 0.503 68 Y N 0.730 121.023 120.300 -0.011 0.000 2.616 68 Y HA 0.562 5.112 4.550 -0.000 0.000 0.296 68 Y C 2.451 178.345 175.900 -0.010 0.000 1.154 68 Y CA -0.344 57.750 58.100 -0.011 0.000 1.325 68 Y CB -0.793 37.658 38.460 -0.014 0.000 1.007 68 Y HN 0.236 nan 8.280 nan 0.000 0.542 69 A N 1.532 124.271 122.820 -0.136 0.000 1.902 69 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 69 A C 2.366 179.955 177.584 0.009 0.000 1.181 69 A CA 1.803 53.809 52.037 -0.051 0.000 0.623 69 A CB -1.113 17.798 19.000 -0.147 0.000 0.818 69 A HN 0.632 nan 8.150 nan 0.000 0.443 70 A N -2.061 120.756 122.820 -0.005 0.000 2.195 70 A HA 0.438 4.758 4.320 -0.000 0.000 0.210 70 A C 1.565 179.167 177.584 0.029 0.000 1.165 70 A CA 1.125 53.169 52.037 0.011 0.000 0.806 70 A CB -0.671 18.329 19.000 0.000 0.000 0.847 70 A HN 1.985 nan 8.150 nan 0.000 0.482 71 G N -0.697 108.134 108.800 0.051 0.000 2.370 71 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.268 71 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.268 71 G C -0.136 174.791 174.900 0.045 0.000 1.122 71 G CA 0.263 45.399 45.100 0.059 0.000 0.963 71 G HN 0.687 nan 8.290 nan 0.000 0.500 72 R N -0.558 119.970 120.500 0.047 0.000 2.651 72 R HA 0.625 4.965 4.340 -0.000 0.000 0.278 72 R C -0.206 176.120 176.300 0.042 0.000 1.010 72 R CA -1.125 54.996 56.100 0.034 0.000 0.896 72 R CB 1.179 31.491 30.300 0.021 0.000 1.211 72 R HN 0.189 nan 8.270 nan 0.000 0.456 73 I N 5.421 126.012 120.570 0.035 0.000 2.371 73 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 73 I C -1.574 174.561 176.117 0.031 0.000 1.028 73 I CA -1.892 59.431 61.300 0.037 0.000 1.345 73 I CB 1.240 39.256 38.000 0.027 0.000 1.407 73 I HN 0.391 nan 8.210 nan 0.000 0.501 74 P HA 0.039 nan 4.420 nan 0.000 0.268 74 P C 0.286 177.609 177.300 0.038 0.000 1.205 74 P CA -0.243 62.879 63.100 0.037 0.000 0.771 74 P CB 0.607 32.335 31.700 0.046 0.000 0.858 75 G N 0.840 109.663 108.800 0.039 0.000 3.717 75 G HA2 0.251 4.211 3.960 -0.000 0.000 0.258 75 G HA3 0.251 4.211 3.960 -0.000 0.000 0.258 75 G C 0.265 175.202 174.900 0.061 0.000 1.088 75 G CA -0.072 45.051 45.100 0.038 0.000 1.737 75 G HN 0.558 nan 8.290 nan 0.000 0.648 76 S N -0.580 115.168 115.700 0.080 0.000 2.739 76 S HA 0.524 4.994 4.470 -0.000 0.000 0.306 76 S C 0.726 175.405 174.600 0.131 0.000 1.115 76 S CA -0.727 57.556 58.200 0.138 0.000 0.985 76 S CB 1.091 64.401 63.200 0.182 0.000 1.133 76 S HN 0.213 nan 8.310 nan 0.000 0.541 77 F N 1.060 121.021 119.950 0.019 0.000 2.206 77 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 77 F C 1.206 176.887 175.800 -0.198 0.000 1.090 77 F CA 1.431 59.357 58.000 -0.124 0.000 1.323 77 F CB -0.095 38.765 39.000 -0.233 0.000 1.028 77 F HN 0.638 nan 8.300 nan 0.000 0.492 78 F N -0.159 119.903 119.950 0.186 0.000 2.512 78 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 78 F C 0.948 176.767 175.800 0.032 0.000 1.110 78 F CA 0.297 58.359 58.000 0.103 0.000 1.446 78 F CB -0.039 39.025 39.000 0.107 0.000 1.092 78 F HN -0.263 nan 8.300 nan 0.000 0.554 79 R N 0.748 121.356 120.500 0.180 0.000 3.651 79 R HA -0.208 4.132 4.340 -0.000 0.000 0.292 79 R C -0.030 176.338 176.300 0.112 0.000 1.161 79 R CA 0.448 56.608 56.100 0.100 0.000 0.787 79 R CB -2.195 28.126 30.300 0.035 0.000 1.249 79 R HN 0.383 nan 8.270 nan 0.000 0.476 80 R N 0.768 121.354 120.500 0.144 0.000 2.888 80 R HA 0.228 4.568 4.340 -0.000 0.000 0.266 80 R C -0.470 175.870 176.300 0.067 0.000 1.020 80 R CA -0.798 55.359 56.100 0.096 0.000 0.963 80 R CB 1.320 31.670 30.300 0.083 0.000 1.197 80 R HN -0.097 nan 8.270 nan 0.000 0.481 81 E N 1.012 121.234 120.200 0.037 0.000 2.406 81 E HA 0.067 4.416 4.350 -0.000 0.000 0.258 81 E C 0.140 176.739 176.600 -0.003 0.000 1.043 81 E CA 0.270 56.676 56.400 0.010 0.000 0.929 81 E CB 0.869 30.564 29.700 -0.009 0.000 0.969 81 E HN 0.712 nan 8.360 nan 0.000 0.462 82 G N 3.152 111.956 108.800 0.006 0.000 2.508 82 G HA2 0.245 4.205 3.960 -0.000 0.000 0.278 82 G HA3 0.245 4.205 3.960 -0.000 0.000 0.278 82 G C -0.016 174.876 174.900 -0.013 0.000 1.389 82 G CA -0.726 44.373 45.100 -0.001 0.000 1.050 82 G HN 0.378 nan 8.290 nan 0.000 0.522 83 R N 0.214 120.709 120.500 -0.010 0.000 2.543 83 R HA 0.226 4.565 4.340 -0.000 0.000 0.277 83 R C -2.238 174.065 176.300 0.006 0.000 1.074 83 R CA -0.971 55.125 56.100 -0.007 0.000 1.076 83 R CB 0.027 30.325 30.300 -0.004 0.000 0.993 83 R HN 0.230 nan 8.270 nan 0.000 0.459 84 P HA -0.124 nan 4.420 nan 0.000 0.255 84 P C -0.257 177.064 177.300 0.034 0.000 1.161 84 P CA 0.610 63.723 63.100 0.021 0.000 0.768 84 P CB 0.493 32.211 31.700 0.029 0.000 0.746 85 S N 1.863 117.587 115.700 0.040 0.000 2.626 85 S HA 0.012 4.482 4.470 -0.000 0.000 0.257 85 S C 1.521 176.156 174.600 0.057 0.000 1.288 85 S CA -0.429 57.800 58.200 0.048 0.000 0.980 85 S CB 0.464 63.692 63.200 0.047 0.000 0.975 85 S HN 0.585 nan 8.310 nan 0.000 0.577 86 E N 0.686 120.922 120.200 0.060 0.000 2.118 86 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 86 E C 1.776 178.409 176.600 0.054 0.000 0.992 86 E CA 1.363 57.800 56.400 0.062 0.000 0.804 86 E CB -0.766 28.978 29.700 0.073 0.000 0.741 86 E HN 0.806 nan 8.360 nan 0.000 0.458 87 G N 0.498 109.334 108.800 0.060 0.000 2.394 87 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 87 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 87 G C 1.275 176.229 174.900 0.089 0.000 1.165 87 G CA 0.628 45.765 45.100 0.061 0.000 0.784 87 G HN 0.285 nan 8.290 nan 0.000 0.535 88 E N 0.258 120.538 120.200 0.133 0.000 2.153 88 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 88 E C 2.808 179.526 176.600 0.196 0.000 0.988 88 E CA 1.498 58.047 56.400 0.249 0.000 0.811 88 E CB -0.175 29.623 29.700 0.164 0.000 0.746 88 E HN 0.603 nan 8.360 nan 0.000 0.466 89 T N -0.754 113.855 114.554 0.092 0.000 2.985 89 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 89 T C 1.944 176.641 174.700 -0.005 0.000 1.076 89 T CA 0.371 62.498 62.100 0.045 0.000 1.135 89 T CB -0.150 68.736 68.868 0.029 0.000 0.890 89 T HN 0.041 nan 8.240 nan 0.000 0.480 90 L N -0.313 120.900 121.223 -0.017 0.000 2.109 90 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 90 L C 2.418 179.221 176.870 -0.111 0.000 1.086 90 L CA 0.837 55.641 54.840 -0.061 0.000 0.760 90 L CB -0.409 41.622 42.059 -0.046 0.000 0.910 90 L HN 0.193 nan 8.230 nan 0.000 0.437 91 I N -0.126 120.341 120.570 -0.171 0.000 2.439 91 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 91 I C 2.664 178.592 176.117 -0.315 0.000 1.139 91 I CA 1.101 62.185 61.300 -0.359 0.000 1.438 91 I CB -0.523 36.998 38.000 -0.797 0.000 1.085 91 I HN 0.112 nan 8.210 nan 0.000 0.427 92 A N 0.551 123.275 122.820 -0.161 0.000 1.940 92 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 92 A C 2.448 179.998 177.584 -0.058 0.000 1.176 92 A CA 1.578 53.586 52.037 -0.047 0.000 0.631 92 A CB -0.501 18.523 19.000 0.039 0.000 0.814 92 A HN 0.328 nan 8.150 nan 0.000 0.446 93 R N -1.518 118.938 120.500 -0.073 0.000 2.119 93 R HA 0.048 4.388 4.340 -0.000 0.000 0.222 93 R C 1.924 178.181 176.300 -0.072 0.000 1.088 93 R CA 0.949 57.006 56.100 -0.072 0.000 0.984 93 R CB -0.372 29.870 30.300 -0.097 0.000 0.884 93 R HN 0.453 nan 8.270 nan 0.000 0.447 94 L N 0.798 121.963 121.223 -0.098 0.000 2.265 94 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 94 L C 1.749 178.577 176.870 -0.070 0.000 1.117 94 L CA 1.521 56.307 54.840 -0.091 0.000 0.782 94 L CB 0.063 42.049 42.059 -0.122 0.000 0.914 94 L HN 0.120 nan 8.230 nan 0.000 0.441 95 I N -1.757 118.768 120.570 -0.074 0.000 2.731 95 I HA -0.079 4.091 4.170 -0.000 0.000 0.260 95 I C 1.928 178.048 176.117 0.006 0.000 1.138 95 I CA 0.603 61.879 61.300 -0.040 0.000 1.461 95 I CB -0.233 37.735 38.000 -0.053 0.000 1.128 95 I HN 0.134 nan 8.210 nan 0.000 0.438 96 D N 1.356 121.760 120.400 0.006 0.000 2.149 96 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 96 D C 2.281 178.624 176.300 0.072 0.000 0.972 96 D CA 1.349 55.375 54.000 0.044 0.000 0.835 96 D CB 0.157 40.968 40.800 0.018 0.000 0.966 96 D HN 0.100 nan 8.370 nan 0.000 0.476 97 R N -0.053 120.468 120.500 0.035 0.000 2.073 97 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 97 R C -0.598 175.738 176.300 0.060 0.000 1.134 97 R CA 1.725 57.848 56.100 0.038 0.000 0.952 97 R CB -0.930 29.370 30.300 -0.001 0.000 0.850 97 R HN 0.340 nan 8.270 nan 0.000 0.433 98 P HA -0.053 nan 4.420 nan 0.000 0.224 98 P C 1.152 178.515 177.300 0.106 0.000 1.157 98 P CA 0.987 64.122 63.100 0.059 0.000 0.799 98 P CB -0.083 31.644 31.700 0.045 0.000 0.809 99 I N -3.270 117.409 120.570 0.181 0.000 2.876 99 I HA 0.107 4.277 4.170 -0.000 0.000 0.264 99 I C 2.453 178.829 176.117 0.432 0.000 1.204 99 I CA 0.610 62.115 61.300 0.342 0.000 1.485 99 I CB -0.406 37.771 38.000 0.295 0.000 1.103 99 I HN -0.268 nan 8.210 nan 0.000 0.446 100 R N 2.046 122.772 120.500 0.377 0.000 2.073 100 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 100 R C -0.328 176.185 176.300 0.355 0.000 1.134 100 R CA 1.886 58.273 56.100 0.478 0.000 0.952 100 R CB -1.144 29.346 30.300 0.317 0.000 0.850 100 R HN 0.356 nan 8.270 nan 0.000 0.433 101 P HA -0.081 nan 4.420 nan 0.000 0.233 101 P C 0.987 178.268 177.300 -0.032 0.000 1.167 101 P CA 0.987 64.128 63.100 0.069 0.000 0.770 101 P CB 0.039 31.758 31.700 0.031 0.000 0.837 102 L N -1.915 119.236 121.223 -0.120 0.000 2.395 102 L HA 0.062 4.402 4.340 -0.000 0.000 0.218 102 L C 1.039 177.629 176.870 -0.466 0.000 1.130 102 L CA 0.119 54.718 54.840 -0.403 0.000 0.826 102 L CB -0.651 40.925 42.059 -0.805 0.000 0.941 102 L HN -0.157 nan 8.230 nan 0.000 0.451 103 F N 1.117 120.920 119.950 -0.245 0.000 2.495 103 F HA 0.156 4.683 4.527 -0.000 0.000 0.365 103 F C -1.535 174.033 175.800 -0.387 0.000 1.090 103 F CA -2.142 55.606 58.000 -0.421 0.000 1.235 103 F CB -0.317 38.288 39.000 -0.659 0.000 1.119 103 F HN -0.210 nan 8.300 nan 0.000 0.562 104 P HA -0.051 nan 4.420 nan 0.000 0.268 104 P C -0.683 176.631 177.300 0.023 0.000 1.208 104 P CA -0.089 62.961 63.100 -0.084 0.000 0.777 104 P CB 0.459 32.135 31.700 -0.040 0.000 0.875 105 E N 1.581 121.848 120.200 0.111 0.000 2.238 105 E HA 0.256 4.606 4.350 -0.000 0.000 0.264 105 E C 1.309 178.066 176.600 0.263 0.000 1.136 105 E CA 0.816 57.300 56.400 0.140 0.000 0.929 105 E CB -0.557 29.210 29.700 0.113 0.000 1.010 105 E HN 0.788 nan 8.360 nan 0.000 0.440 106 G N 3.446 112.394 108.800 0.246 0.000 2.159 106 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.170 106 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.170 106 G C -0.193 174.983 174.900 0.460 0.000 1.007 106 G CA -0.602 44.698 45.100 0.333 0.000 0.672 106 G HN 0.419 nan 8.290 nan 0.000 0.507 107 F N 1.869 121.831 119.950 0.021 0.000 2.445 107 F HA 0.527 5.054 4.527 -0.000 0.000 0.359 107 F C 1.230 176.988 175.800 -0.070 0.000 1.101 107 F CA 0.170 58.024 58.000 -0.244 0.000 1.177 107 F CB 1.485 40.055 39.000 -0.716 0.000 1.110 107 F HN -0.058 nan 8.300 nan 0.000 0.522 108 V N 3.389 123.084 119.914 -0.364 0.000 3.645 108 V HA 0.091 4.211 4.120 -0.000 0.000 0.275 108 V C 0.482 176.382 176.094 -0.323 0.000 1.356 108 V CA -0.298 61.889 62.300 -0.189 0.000 1.051 108 V CB -0.817 30.953 31.823 -0.089 0.000 0.828 108 V HN 0.587 nan 8.190 nan 0.000 0.441 109 N N 2.419 120.692 118.700 -0.711 0.000 2.454 109 N HA 0.068 4.808 4.740 -0.000 0.000 0.254 109 N C 0.099 175.475 175.510 -0.224 0.000 1.228 109 N CA 0.353 53.125 53.050 -0.464 0.000 0.900 109 N CB 0.628 38.801 38.487 -0.523 0.000 1.089 109 N HN 0.559 nan 8.380 nan 0.000 0.449 110 E N 0.965 121.068 120.200 -0.162 0.000 2.316 110 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 110 E C -1.146 175.397 176.600 -0.095 0.000 1.029 110 E CA -0.341 55.952 56.400 -0.179 0.000 0.871 110 E CB 0.738 30.347 29.700 -0.152 0.000 1.022 110 E HN 0.214 nan 8.360 nan 0.000 0.418 111 V N 4.795 124.613 119.914 -0.160 0.000 2.623 111 V HA 0.282 4.402 4.120 -0.000 0.000 0.304 111 V C -1.387 174.627 176.094 -0.132 0.000 1.054 111 V CA -0.510 61.732 62.300 -0.097 0.000 0.882 111 V CB 1.893 33.697 31.823 -0.031 0.000 1.002 111 V HN 0.839 nan 8.190 nan 0.000 0.424 112 Q N 4.402 124.154 119.800 -0.080 0.000 2.333 112 Q HA 0.717 5.057 4.340 -0.000 0.000 0.267 112 Q C -1.835 174.131 176.000 -0.057 0.000 1.012 112 Q CA -0.649 55.111 55.803 -0.072 0.000 0.824 112 Q CB 2.252 30.959 28.738 -0.053 0.000 1.290 112 Q HN 0.676 nan 8.270 nan 0.000 0.449 113 V N 5.930 125.813 119.914 -0.052 0.000 2.313 113 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 113 V C -0.620 175.455 176.094 -0.031 0.000 1.017 113 V CA -0.583 61.686 62.300 -0.051 0.000 0.823 113 V CB 0.967 32.761 31.823 -0.048 0.000 1.010 113 V HN 0.657 nan 8.190 nan 0.000 0.443 114 I N 4.517 125.063 120.570 -0.040 0.000 2.330 114 I HA 0.638 4.808 4.170 -0.000 0.000 0.286 114 I C 0.531 176.633 176.117 -0.024 0.000 1.025 114 I CA -0.070 61.219 61.300 -0.018 0.000 1.197 114 I CB 1.557 39.552 38.000 -0.008 0.000 1.358 114 I HN 0.607 nan 8.210 nan 0.000 0.467 115 A N 4.213 127.045 122.820 0.021 0.000 2.277 115 A HA 0.663 4.983 4.320 -0.000 0.000 0.318 115 A C -0.011 177.574 177.584 0.001 0.000 1.339 115 A CA -0.477 51.587 52.037 0.044 0.000 0.875 115 A CB 0.638 19.725 19.000 0.145 0.000 1.158 115 A HN 0.552 nan 8.150 nan 0.000 0.514 116 T N 2.254 116.813 114.554 0.009 0.000 2.794 116 T HA 0.487 4.837 4.350 -0.000 0.000 0.280 116 T C -0.327 174.352 174.700 -0.035 0.000 0.987 116 T CA -0.293 61.778 62.100 -0.048 0.000 0.993 116 T CB 0.450 69.337 68.868 0.033 0.000 0.939 116 T HN 0.447 nan 8.240 nan 0.000 0.449 117 V N 6.483 126.297 119.914 -0.166 0.000 2.508 117 V HA 0.243 4.362 4.120 -0.000 0.000 0.281 117 V C 1.128 177.145 176.094 -0.128 0.000 1.041 117 V CA -0.043 62.186 62.300 -0.119 0.000 1.016 117 V CB 1.159 32.877 31.823 -0.174 0.000 0.984 117 V HN 0.832 nan 8.190 nan 0.000 0.478 118 V N 3.826 123.725 119.914 -0.025 0.000 3.455 118 V HA 0.265 4.385 4.120 -0.000 0.000 0.250 118 V C 0.696 176.828 176.094 0.064 0.000 1.230 118 V CA 1.196 63.523 62.300 0.045 0.000 1.105 118 V CB 1.240 33.146 31.823 0.137 0.000 0.850 118 V HN 0.967 nan 8.190 nan 0.000 0.461 119 S N -0.908 114.811 115.700 0.031 0.000 2.541 119 S HA 0.726 5.196 4.470 -0.000 0.000 0.271 119 S C -1.372 173.234 174.600 0.010 0.000 1.133 119 S CA -0.461 57.759 58.200 0.033 0.000 0.876 119 S CB 1.916 65.147 63.200 0.051 0.000 1.105 119 S HN 0.334 nan 8.310 nan 0.000 0.470 120 V N 1.870 121.787 119.914 0.005 0.000 2.733 120 V HA 0.664 4.783 4.120 -0.000 0.000 0.306 120 V C -1.563 174.532 176.094 0.001 0.000 1.084 120 V CA -0.612 61.688 62.300 -0.001 0.000 0.905 120 V CB 2.057 33.875 31.823 -0.008 0.000 1.010 120 V HN 1.054 nan 8.190 nan 0.000 0.424 121 N N 6.505 125.201 118.700 -0.006 0.000 2.419 121 N HA 0.575 5.315 4.740 -0.000 0.000 0.277 121 N C -1.962 173.544 175.510 -0.007 0.000 1.006 121 N CA -2.041 51.005 53.050 -0.006 0.000 0.923 121 N CB 2.347 40.825 38.487 -0.016 0.000 1.140 121 N HN 0.328 nan 8.380 nan 0.000 0.488 122 P HA -0.142 nan 4.420 nan 0.000 0.220 122 P C 0.726 178.029 177.300 0.005 0.000 1.144 122 P CA 1.130 64.233 63.100 0.006 0.000 0.800 122 P CB 0.416 32.122 31.700 0.010 0.000 0.772 123 Q N -0.764 119.037 119.800 0.002 0.000 2.089 123 Q HA 0.031 4.371 4.340 -0.000 0.000 0.195 123 Q C 0.909 176.897 176.000 -0.020 0.000 0.963 123 Q CA 0.886 56.694 55.803 0.008 0.000 0.834 123 Q CB -0.602 28.156 28.738 0.034 0.000 0.906 123 Q HN 0.219 nan 8.270 nan 0.000 0.452 124 V N 0.559 120.431 119.914 -0.070 0.000 2.427 124 V HA 0.435 4.555 4.120 -0.000 0.000 0.286 124 V C 0.062 176.124 176.094 -0.055 0.000 1.034 124 V CA -1.176 61.054 62.300 -0.117 0.000 0.893 124 V CB 1.465 33.118 31.823 -0.283 0.000 0.982 124 V HN 0.042 nan 8.190 nan 0.000 0.452 125 N N 5.032 123.714 118.700 -0.029 0.000 2.458 125 N HA 0.339 5.079 4.740 -0.000 0.000 0.270 125 N C -1.846 173.670 175.510 0.011 0.000 1.102 125 N CA -1.772 51.279 53.050 0.001 0.000 0.967 125 N CB 2.088 40.580 38.487 0.009 0.000 1.078 125 N HN 0.439 nan 8.380 nan 0.000 0.471 126 P HA -0.080 nan 4.420 nan 0.000 0.228 126 P C 0.603 177.947 177.300 0.074 0.000 1.151 126 P CA 0.694 63.840 63.100 0.076 0.000 0.770 126 P CB 0.244 32.023 31.700 0.132 0.000 0.786 127 D N 0.824 121.233 120.400 0.016 0.000 2.117 127 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 127 D C 1.589 177.854 176.300 -0.058 0.000 0.987 127 D CA 1.396 55.344 54.000 -0.085 0.000 0.829 127 D CB -1.294 39.445 40.800 -0.102 0.000 0.961 127 D HN 0.264 nan 8.370 nan 0.000 0.460 128 I N -1.229 119.336 120.570 -0.008 0.000 2.761 128 I HA -0.028 4.142 4.170 -0.000 0.000 0.261 128 I C 2.196 178.330 176.117 0.029 0.000 1.198 128 I CA 0.214 61.525 61.300 0.018 0.000 1.482 128 I CB -0.601 37.434 38.000 0.057 0.000 1.100 128 I HN -0.122 nan 8.210 nan 0.000 0.445 129 V N 1.681 121.614 119.914 0.031 0.000 2.379 129 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 129 V C 2.945 179.062 176.094 0.038 0.000 1.044 129 V CA 1.751 64.072 62.300 0.036 0.000 1.036 129 V CB -1.291 30.554 31.823 0.037 0.000 0.664 129 V HN 0.574 nan 8.190 nan 0.000 0.453 130 A N -0.517 122.333 122.820 0.050 0.000 1.969 130 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 130 A C 2.224 179.813 177.584 0.008 0.000 1.169 130 A CA 1.841 53.915 52.037 0.062 0.000 0.635 130 A CB -0.457 18.625 19.000 0.136 0.000 0.810 130 A HN 0.502 nan 8.150 nan 0.000 0.445 131 M N -0.838 118.754 119.600 -0.014 0.000 2.200 131 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 131 M C 1.917 178.209 176.300 -0.013 0.000 1.066 131 M CA 1.292 56.580 55.300 -0.021 0.000 1.127 131 M CB -0.378 32.210 32.600 -0.020 0.000 1.379 131 M HN 0.379 nan 8.290 nan 0.000 0.420 132 I N -0.351 120.216 120.570 -0.006 0.000 2.286 132 I HA -0.134 4.035 4.170 -0.000 0.000 0.245 132 I C 2.582 178.690 176.117 -0.014 0.000 1.104 132 I CA 1.262 62.557 61.300 -0.008 0.000 1.397 132 I CB -0.888 37.113 38.000 0.002 0.000 1.072 132 I HN 0.339 nan 8.210 nan 0.000 0.417 133 G N 0.556 109.349 108.800 -0.013 0.000 2.422 133 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 133 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 133 G C 1.836 176.692 174.900 -0.073 0.000 1.146 133 G CA 0.813 45.893 45.100 -0.033 0.000 0.769 133 G HN 0.482 nan 8.290 nan 0.000 0.547 134 A N 0.317 123.095 122.820 -0.070 0.000 1.968 134 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 134 A C 2.577 180.067 177.584 -0.157 0.000 1.169 134 A CA 2.027 53.997 52.037 -0.110 0.000 0.638 134 A CB -0.570 18.381 19.000 -0.081 0.000 0.812 134 A HN 0.385 nan 8.150 nan 0.000 0.446 135 S N -0.405 115.237 115.700 -0.096 0.000 2.383 135 S HA 0.031 4.501 4.470 -0.000 0.000 0.227 135 S C 2.108 176.662 174.600 -0.076 0.000 1.026 135 S CA 1.377 59.537 58.200 -0.066 0.000 0.981 135 S CB -0.350 62.853 63.200 0.006 0.000 0.818 135 S HN 0.740 nan 8.310 nan 0.000 0.472 136 A N 0.800 123.579 122.820 -0.069 0.000 1.968 136 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 136 A C 2.323 179.852 177.584 -0.091 0.000 1.169 136 A CA 1.442 53.443 52.037 -0.060 0.000 0.638 136 A CB -0.975 18.006 19.000 -0.032 0.000 0.812 136 A HN 0.662 nan 8.150 nan 0.000 0.446 137 A N -0.347 122.394 122.820 -0.130 0.000 1.929 137 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 137 A C 2.055 179.521 177.584 -0.196 0.000 1.176 137 A CA 1.177 53.122 52.037 -0.153 0.000 0.628 137 A CB -0.470 18.425 19.000 -0.175 0.000 0.816 137 A HN 0.425 nan 8.150 nan 0.000 0.444 138 L N -0.318 120.722 121.223 -0.304 0.000 2.217 138 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 138 L C 2.599 179.286 176.870 -0.305 0.000 1.107 138 L CA 1.095 55.645 54.840 -0.483 0.000 0.783 138 L CB -0.119 41.268 42.059 -1.120 0.000 0.919 138 L HN 0.301 nan 8.230 nan 0.000 0.442 139 S N -0.342 115.269 115.700 -0.148 0.000 2.414 139 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 139 S C 1.559 176.131 174.600 -0.046 0.000 1.022 139 S CA 0.794 58.977 58.200 -0.028 0.000 0.958 139 S CB 0.009 63.208 63.200 -0.002 0.000 0.797 139 S HN 0.195 nan 8.310 nan 0.000 0.493 140 L N 1.760 122.946 121.223 -0.061 0.000 2.628 140 L HA 0.206 4.546 4.340 -0.000 0.000 0.229 140 L C 2.101 178.951 176.870 -0.034 0.000 1.137 140 L CA 0.214 55.032 54.840 -0.035 0.000 0.909 140 L CB -0.234 41.809 42.059 -0.027 0.000 1.137 140 L HN 0.306 nan 8.230 nan 0.000 0.470 141 S N -1.357 114.296 115.700 -0.079 0.000 2.377 141 S HA 0.126 4.596 4.470 -0.000 0.000 0.223 141 S C 1.824 176.397 174.600 -0.045 0.000 1.030 141 S CA 0.833 58.983 58.200 -0.083 0.000 0.970 141 S CB -0.088 63.008 63.200 -0.173 0.000 0.830 141 S HN 0.431 nan 8.310 nan 0.000 0.473 142 G N 0.842 109.591 108.800 -0.086 0.000 2.279 142 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.223 142 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.223 142 G C -0.023 174.646 174.900 -0.385 0.000 1.015 142 G CA -0.136 44.952 45.100 -0.020 0.000 0.621 142 G HN 0.530 nan 8.290 nan 0.000 0.506 143 I N 4.633 124.743 120.570 -0.767 0.000 2.668 143 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 143 I C -1.445 174.359 176.117 -0.522 0.000 1.168 143 I CA -1.523 59.191 61.300 -0.976 0.000 1.424 143 I CB 0.398 37.920 38.000 -0.796 0.000 1.377 143 I HN -0.011 nan 8.210 nan 0.000 0.560 144 P HA -0.082 nan 4.420 nan 0.000 0.255 144 P C -0.765 176.273 177.300 -0.437 0.000 1.173 144 P CA 0.526 63.394 63.100 -0.387 0.000 0.780 144 P CB -0.125 31.310 31.700 -0.441 0.000 0.758 145 F N 4.198 123.839 119.950 -0.515 0.000 2.831 145 F HA 0.268 4.795 4.527 -0.000 0.000 0.346 145 F C -0.214 175.338 175.800 -0.413 0.000 1.224 145 F CA -0.856 56.758 58.000 -0.644 0.000 1.048 145 F CB 1.051 39.633 39.000 -0.696 0.000 1.339 145 F HN 0.017 nan 8.300 nan 0.000 0.514 146 N N 4.472 122.690 118.700 -0.802 0.000 3.210 146 N HA 0.185 4.925 4.740 -0.000 0.000 0.314 146 N C 0.468 175.553 175.510 -0.709 0.000 1.291 146 N CA 0.344 53.045 53.050 -0.582 0.000 1.202 146 N CB 0.647 38.897 38.487 -0.396 0.000 1.475 146 N HN 0.829 nan 8.380 nan 0.000 0.554 147 G N 0.764 109.104 108.800 -0.766 0.000 2.849 147 G HA2 0.494 4.454 3.960 -0.000 0.000 0.174 147 G HA3 0.494 4.454 3.960 -0.000 0.000 0.174 147 G C -2.330 172.447 174.900 -0.206 0.000 1.370 147 G CA -0.442 44.357 45.100 -0.502 0.000 1.040 147 G HN 0.155 nan 8.290 nan 0.000 0.582 148 P HA 0.510 nan 4.420 nan 0.000 0.284 148 P C -0.652 176.627 177.300 -0.035 0.000 1.287 148 P CA -0.595 62.505 63.100 -0.001 0.000 0.824 148 P CB 1.343 33.046 31.700 0.005 0.000 1.180 149 I N -3.485 117.098 120.570 0.022 0.000 2.693 149 I HA 0.844 5.014 4.170 -0.000 0.000 0.303 149 I C -0.006 176.100 176.117 -0.017 0.000 1.025 149 I CA -1.035 60.265 61.300 0.001 0.000 1.086 149 I CB 2.112 40.133 38.000 0.035 0.000 1.268 149 I HN 0.299 nan 8.210 nan 0.000 0.440 150 G N 2.712 111.493 108.800 -0.031 0.000 2.400 150 G HA2 0.731 4.691 3.960 -0.000 0.000 0.333 150 G HA3 0.731 4.691 3.960 -0.000 0.000 0.333 150 G C -1.190 173.703 174.900 -0.011 0.000 1.143 150 G CA -0.882 44.186 45.100 -0.054 0.000 0.914 150 G HN 0.989 nan 8.290 nan 0.000 0.480 151 A N 0.250 123.065 122.820 -0.008 0.000 2.287 151 A HA 0.882 5.202 4.320 -0.000 0.000 0.317 151 A C 0.058 177.715 177.584 0.121 0.000 1.220 151 A CA -0.129 51.934 52.037 0.044 0.000 0.835 151 A CB 1.155 20.175 19.000 0.034 0.000 1.180 151 A HN 1.881 nan 8.150 nan 0.000 0.500 152 A N 2.592 125.491 122.820 0.132 0.000 2.449 152 A HA 0.819 5.139 4.320 -0.000 0.000 0.302 152 A C -0.372 177.292 177.584 0.132 0.000 1.048 152 A CA -0.657 51.490 52.037 0.184 0.000 0.708 152 A CB 1.254 20.351 19.000 0.162 0.000 1.274 152 A HN 0.857 nan 8.150 nan 0.000 0.410 153 R N 1.557 122.137 120.500 0.133 0.000 2.437 153 R HA 0.618 4.958 4.340 -0.000 0.000 0.310 153 R C -1.722 174.671 176.300 0.154 0.000 0.955 153 R CA -0.336 55.834 56.100 0.117 0.000 0.851 153 R CB 1.588 31.943 30.300 0.092 0.000 1.161 153 R HN 0.503 nan 8.270 nan 0.000 0.446 154 V N 3.675 123.696 119.914 0.177 0.000 2.384 154 V HA 0.537 4.657 4.120 -0.000 0.000 0.287 154 V C 0.512 176.732 176.094 0.211 0.000 1.020 154 V CA -0.663 61.791 62.300 0.256 0.000 0.850 154 V CB 1.536 33.552 31.823 0.321 0.000 0.987 154 V HN 0.929 nan 8.190 nan 0.000 0.436 155 G N 2.606 111.525 108.800 0.199 0.000 2.417 155 G HA2 0.539 4.499 3.960 -0.000 0.000 0.334 155 G HA3 0.539 4.499 3.960 -0.000 0.000 0.334 155 G C -1.731 173.272 174.900 0.172 0.000 1.150 155 G CA -0.465 44.727 45.100 0.154 0.000 0.923 155 G HN 0.566 nan 8.290 nan 0.000 0.485 156 Y N 1.933 122.223 120.300 -0.018 0.000 2.686 156 Y HA 0.546 5.096 4.550 -0.000 0.000 0.331 156 Y C -0.290 175.546 175.900 -0.106 0.000 0.996 156 Y CA -0.916 57.120 58.100 -0.107 0.000 1.293 156 Y CB 0.618 39.011 38.460 -0.113 0.000 1.092 156 Y HN 0.321 nan 8.280 nan 0.000 0.524 157 I N 5.392 125.774 120.570 -0.314 0.000 2.378 157 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 157 I C -0.409 175.492 176.117 -0.360 0.000 0.992 157 I CA -1.230 59.926 61.300 -0.239 0.000 1.154 157 I CB 1.321 39.239 38.000 -0.137 0.000 1.315 157 I HN 0.763 nan 8.210 nan 0.000 0.448 158 N N 4.275 122.817 118.700 -0.263 0.000 2.678 158 N HA -0.294 4.446 4.740 -0.000 0.000 0.268 158 N C -0.393 174.901 175.510 -0.361 0.000 1.010 158 N CA 1.011 53.918 53.050 -0.240 0.000 0.784 158 N CB -1.532 36.862 38.487 -0.155 0.000 0.905 158 N HN 0.774 nan 8.380 nan 0.000 0.552 159 D N -2.400 117.674 120.400 -0.543 0.000 2.772 159 D HA -0.232 4.408 4.640 -0.000 0.000 0.233 159 D C -0.497 175.345 176.300 -0.763 0.000 1.143 159 D CA 1.593 55.230 54.000 -0.606 0.000 0.700 159 D CB -0.841 39.837 40.800 -0.203 0.000 1.076 159 D HN 0.896 nan 8.370 nan 0.000 0.430 160 Q N -0.874 118.264 119.800 -1.104 0.000 2.353 160 Q HA 0.418 4.758 4.340 -0.000 0.000 0.275 160 Q C -1.529 173.975 176.000 -0.827 0.000 1.029 160 Q CA -0.640 54.699 55.803 -0.772 0.000 0.848 160 Q CB 1.297 29.791 28.738 -0.406 0.000 1.390 160 Q HN 0.107 nan 8.270 nan 0.000 0.401 161 Y N 1.050 121.080 120.300 -0.451 0.000 2.316 161 Y HA 0.558 5.107 4.550 -0.000 0.000 0.331 161 Y C -0.161 175.484 175.900 -0.426 0.000 1.083 161 Y CA -0.587 57.209 58.100 -0.506 0.000 1.206 161 Y CB 1.110 38.944 38.460 -1.042 0.000 1.195 161 Y HN 0.262 nan 8.280 nan 0.000 0.497 162 V N 5.372 125.284 119.914 -0.004 0.000 2.487 162 V HA 0.233 4.353 4.120 -0.000 0.000 0.298 162 V C -0.587 175.663 176.094 0.261 0.000 1.028 162 V CA -0.941 61.421 62.300 0.104 0.000 0.860 162 V CB 1.731 33.572 31.823 0.028 0.000 0.991 162 V HN 0.545 nan 8.190 nan 0.000 0.427 163 L N 5.858 127.275 121.223 0.323 0.000 2.331 163 L HA 0.484 4.824 4.340 -0.000 0.000 0.278 163 L C 0.583 177.498 176.870 0.074 0.000 1.106 163 L CA 0.534 55.503 54.840 0.215 0.000 0.824 163 L CB 0.083 42.181 42.059 0.065 0.000 1.142 163 L HN 0.781 nan 8.230 nan 0.000 0.443 164 N N 3.572 122.316 118.700 0.073 0.000 2.614 164 N HA -0.146 4.594 4.740 -0.000 0.000 0.276 164 N C -2.446 173.117 175.510 0.089 0.000 1.119 164 N CA 0.554 53.645 53.050 0.069 0.000 0.742 164 N CB -1.153 37.360 38.487 0.042 0.000 0.900 164 N HN 0.486 nan 8.380 nan 0.000 0.549 165 P HA 0.116 nan 4.420 nan 0.000 0.280 165 P C 0.482 177.822 177.300 0.067 0.000 1.244 165 P CA -0.128 63.014 63.100 0.070 0.000 0.784 165 P CB 0.677 32.413 31.700 0.061 0.000 0.913 166 T N -0.555 114.040 114.554 0.068 0.000 2.766 166 T HA 0.032 4.382 4.350 -0.000 0.000 0.295 166 T C 1.336 176.059 174.700 0.037 0.000 1.024 166 T CA -0.130 62.004 62.100 0.057 0.000 1.018 166 T CB 0.396 69.304 68.868 0.066 0.000 1.002 166 T HN 0.245 nan 8.240 nan 0.000 0.532 167 Q N -0.004 119.813 119.800 0.029 0.000 2.234 167 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 167 Q C 1.746 177.759 176.000 0.022 0.000 0.980 167 Q CA 1.959 57.776 55.803 0.024 0.000 0.869 167 Q CB -0.631 28.119 28.738 0.020 0.000 0.912 167 Q HN 0.886 nan 8.270 nan 0.000 0.436 168 D N -0.671 119.742 120.400 0.022 0.000 2.194 168 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 168 D C 1.130 177.439 176.300 0.016 0.000 0.964 168 D CA 0.898 54.908 54.000 0.017 0.000 0.846 168 D CB 0.149 40.959 40.800 0.016 0.000 0.962 168 D HN 0.376 nan 8.370 nan 0.000 0.490 169 E N -0.481 119.731 120.200 0.020 0.000 2.285 169 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 169 E C 1.947 178.557 176.600 0.018 0.000 0.997 169 E CA 0.157 56.566 56.400 0.016 0.000 0.845 169 E CB 0.129 29.841 29.700 0.021 0.000 0.782 169 E HN 0.356 nan 8.360 nan 0.000 0.491 170 L N 0.822 122.059 121.223 0.023 0.000 2.376 170 L HA -0.114 4.226 4.340 -0.000 0.000 0.219 170 L C 2.079 178.961 176.870 0.020 0.000 1.133 170 L CA 0.801 55.656 54.840 0.026 0.000 0.816 170 L CB -0.085 41.991 42.059 0.028 0.000 0.933 170 L HN 0.021 nan 8.230 nan 0.000 0.449 171 K N 0.243 120.652 120.400 0.015 0.000 2.097 171 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 171 K C 1.056 177.660 176.600 0.007 0.000 1.050 171 K CA 1.082 57.376 56.287 0.011 0.000 0.938 171 K CB 0.050 32.555 32.500 0.009 0.000 0.718 171 K HN 0.344 nan 8.250 nan 0.000 0.442 172 E N 0.654 120.856 120.200 0.004 0.000 2.437 172 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 172 E C -0.632 175.968 176.600 0.000 0.000 1.029 172 E CA -0.251 56.148 56.400 -0.003 0.000 0.948 172 E CB 0.941 30.633 29.700 -0.013 0.000 1.082 172 E HN -0.049 nan 8.360 nan 0.000 0.456 173 S N 0.210 115.919 115.700 0.016 0.000 2.489 173 S HA 0.132 4.602 4.470 -0.000 0.000 0.291 173 S C 0.754 175.385 174.600 0.053 0.000 1.151 173 S CA -0.552 57.670 58.200 0.037 0.000 1.082 173 S CB 1.155 64.382 63.200 0.045 0.000 1.019 173 S HN -0.070 nan 8.310 nan 0.000 0.492 174 K N 2.780 123.237 120.400 0.096 0.000 2.404 174 K HA 0.327 4.647 4.320 -0.000 0.000 0.194 174 K C -0.076 176.554 176.600 0.050 0.000 1.023 174 K CA -0.054 56.281 56.287 0.080 0.000 1.094 174 K CB -0.291 32.285 32.500 0.126 0.000 0.841 174 K HN 0.593 nan 8.250 nan 0.000 0.523 175 L N 0.233 121.505 121.223 0.081 0.000 2.513 175 L HA 0.614 4.954 4.340 -0.000 0.000 0.261 175 L C -2.386 174.528 176.870 0.073 0.000 0.945 175 L CA -0.496 54.377 54.840 0.055 0.000 0.848 175 L CB 2.571 44.659 42.059 0.047 0.000 1.334 175 L HN -0.077 nan 8.230 nan 0.000 0.407 176 D N 3.969 124.397 120.400 0.047 0.000 2.602 176 D HA 0.585 5.225 4.640 -0.000 0.000 0.245 176 D C -1.694 174.629 176.300 0.037 0.000 1.325 176 D CA -0.099 53.931 54.000 0.049 0.000 0.952 176 D CB 1.353 42.173 40.800 0.034 0.000 1.317 176 D HN 0.650 nan 8.370 nan 0.000 0.577 177 L N 1.042 122.298 121.223 0.056 0.000 2.350 177 L HA 0.852 5.192 4.340 -0.000 0.000 0.260 177 L C -1.441 175.459 176.870 0.049 0.000 1.015 177 L CA -1.034 53.831 54.840 0.043 0.000 0.821 177 L CB 1.980 44.068 42.059 0.049 0.000 1.370 177 L HN 0.017 nan 8.230 nan 0.000 0.416 178 V N 2.201 122.132 119.914 0.029 0.000 2.350 178 V HA 0.595 4.715 4.120 -0.000 0.000 0.285 178 V C -0.419 175.694 176.094 0.032 0.000 1.014 178 V CA -0.571 61.747 62.300 0.031 0.000 0.831 178 V CB 1.499 33.325 31.823 0.005 0.000 1.000 178 V HN 0.713 nan 8.190 nan 0.000 0.433 179 V N 5.272 125.218 119.914 0.053 0.000 2.398 179 V HA 0.943 5.063 4.120 -0.000 0.000 0.286 179 V C 0.113 176.243 176.094 0.060 0.000 1.026 179 V CA -0.020 62.314 62.300 0.057 0.000 0.868 179 V CB 1.492 33.362 31.823 0.078 0.000 0.982 179 V HN 1.055 nan 8.190 nan 0.000 0.443 180 A N 4.642 127.491 122.820 0.049 0.000 2.393 180 A HA 1.036 5.356 4.320 -0.000 0.000 0.306 180 A C -0.103 177.515 177.584 0.058 0.000 1.050 180 A CA 0.038 52.104 52.037 0.049 0.000 0.724 180 A CB 1.865 20.883 19.000 0.029 0.000 1.248 180 A HN 1.889 nan 8.150 nan 0.000 0.424 181 G N -0.005 108.844 108.800 0.081 0.000 2.489 181 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 181 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 181 G C -0.315 174.634 174.900 0.082 0.000 1.487 181 G CA 0.250 45.403 45.100 0.087 0.000 0.795 181 G HN 1.350 nan 8.290 nan 0.000 0.513 182 T N -2.029 112.553 114.554 0.047 0.000 2.753 182 T HA 0.353 4.703 4.350 -0.000 0.000 0.309 182 T C 1.292 176.012 174.700 0.033 0.000 1.043 182 T CA 0.585 62.679 62.100 -0.009 0.000 0.964 182 T CB 1.384 70.205 68.868 -0.079 0.000 1.206 182 T HN 0.668 nan 8.240 nan 0.000 0.528 183 E N -0.023 120.152 120.200 -0.041 0.000 2.106 183 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 183 E C 2.170 178.769 176.600 -0.002 0.000 0.984 183 E CA 1.000 57.361 56.400 -0.065 0.000 0.806 183 E CB -0.460 29.191 29.700 -0.082 0.000 0.750 183 E HN 0.721 nan 8.360 nan 0.000 0.458 184 A N 0.531 123.364 122.820 0.022 0.000 1.911 184 A HA 0.434 4.754 4.320 -0.000 0.000 0.212 184 A C 1.017 178.651 177.584 0.084 0.000 1.189 184 A CA 0.905 52.962 52.037 0.033 0.000 0.639 184 A CB 0.123 19.113 19.000 -0.016 0.000 0.839 184 A HN 0.317 nan 8.150 nan 0.000 0.449 185 A N -1.671 121.189 122.820 0.068 0.000 2.594 185 A HA 0.597 4.917 4.320 -0.000 0.000 0.291 185 A C -0.624 176.863 177.584 -0.162 0.000 1.105 185 A CA -0.415 51.568 52.037 -0.089 0.000 0.694 185 A CB 0.544 19.483 19.000 -0.102 0.000 1.291 185 A HN 0.455 nan 8.150 nan 0.000 0.410 186 V N 0.762 120.430 119.914 -0.410 0.000 2.881 186 V HA 0.328 4.448 4.120 -0.000 0.000 0.303 186 V C 0.833 176.859 176.094 -0.113 0.000 1.070 186 V CA 0.104 62.237 62.300 -0.278 0.000 1.074 186 V CB 0.941 32.579 31.823 -0.309 0.000 1.012 186 V HN 0.832 nan 8.190 nan 0.000 0.482 187 L N 2.068 123.261 121.223 -0.050 0.000 2.638 187 L HA 0.511 4.851 4.340 -0.000 0.000 0.195 187 L C 0.653 177.519 176.870 -0.006 0.000 1.065 187 L CA 0.821 55.644 54.840 -0.028 0.000 0.859 187 L CB 0.351 42.397 42.059 -0.023 0.000 1.269 187 L HN 0.680 nan 8.230 nan 0.000 0.484 188 M N 0.416 120.017 119.600 0.002 0.000 2.326 188 M HA 0.744 5.224 4.480 -0.000 0.000 0.292 188 M C -1.607 174.696 176.300 0.005 0.000 1.081 188 M CA -0.480 54.823 55.300 0.005 0.000 0.919 188 M CB 1.684 34.286 32.600 0.004 0.000 1.634 188 M HN -0.183 nan 8.290 nan 0.000 0.451 189 V N 2.162 122.074 119.914 -0.002 0.000 2.525 189 V HA 0.749 4.869 4.120 -0.000 0.000 0.299 189 V C -0.882 175.191 176.094 -0.035 0.000 1.034 189 V CA -0.723 61.573 62.300 -0.006 0.000 0.863 189 V CB 1.783 33.611 31.823 0.008 0.000 0.999 189 V HN 1.080 nan 8.190 nan 0.000 0.423 190 E N 3.592 123.772 120.200 -0.032 0.000 2.155 190 E HA 0.717 5.066 4.350 -0.000 0.000 0.264 190 E C -0.651 175.926 176.600 -0.038 0.000 0.886 190 E CA -0.215 56.156 56.400 -0.049 0.000 0.752 190 E CB 1.740 31.409 29.700 -0.052 0.000 1.133 190 E HN 0.798 nan 8.360 nan 0.000 0.414 191 S N 3.006 118.675 115.700 -0.052 0.000 2.546 191 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 191 S C -0.975 173.594 174.600 -0.051 0.000 1.121 191 S CA -1.080 57.097 58.200 -0.039 0.000 0.887 191 S CB 1.347 64.528 63.200 -0.032 0.000 1.094 191 S HN 0.484 nan 8.310 nan 0.000 0.474 192 E N 0.998 121.176 120.200 -0.036 0.000 2.272 192 E HA 0.803 5.153 4.350 -0.000 0.000 0.269 192 E C -0.914 175.666 176.600 -0.034 0.000 0.877 192 E CA -1.455 54.919 56.400 -0.044 0.000 0.755 192 E CB 1.998 31.673 29.700 -0.041 0.000 1.192 192 E HN 0.967 nan 8.360 nan 0.000 0.422 193 A N 2.287 125.078 122.820 -0.047 0.000 2.609 193 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 193 A C -0.848 176.704 177.584 -0.054 0.000 1.096 193 A CA -0.902 51.107 52.037 -0.046 0.000 0.684 193 A CB 1.662 20.625 19.000 -0.062 0.000 1.282 193 A HN 0.536 nan 8.150 nan 0.000 0.412 194 Q N -0.060 119.710 119.800 -0.049 0.000 2.526 194 Q HA 0.321 4.661 4.340 -0.000 0.000 0.207 194 Q C -0.212 175.751 176.000 -0.061 0.000 1.078 194 Q CA -0.207 55.566 55.803 -0.049 0.000 1.041 194 Q CB 0.166 28.885 28.738 -0.032 0.000 1.228 194 Q HN 0.639 nan 8.270 nan 0.000 0.603 195 L N 2.050 123.241 121.223 -0.054 0.000 2.704 195 L HA 0.037 4.377 4.340 -0.000 0.000 0.279 195 L C -0.106 176.728 176.870 -0.060 0.000 1.147 195 L CA 0.312 55.120 54.840 -0.053 0.000 0.994 195 L CB -0.762 41.271 42.059 -0.042 0.000 1.332 195 L HN 0.163 nan 8.230 nan 0.000 0.471 196 L N 2.012 123.189 121.223 -0.077 0.000 2.371 196 L HA 0.493 4.833 4.340 -0.000 0.000 0.262 196 L C 0.451 177.274 176.870 -0.079 0.000 1.006 196 L CA -0.672 54.106 54.840 -0.103 0.000 0.818 196 L CB 2.388 44.337 42.059 -0.184 0.000 1.354 196 L HN 0.560 nan 8.230 nan 0.000 0.415 197 S N -0.205 115.452 115.700 -0.072 0.000 2.596 197 S HA 0.141 4.611 4.470 -0.000 0.000 0.260 197 S C 0.666 175.248 174.600 -0.030 0.000 1.336 197 S CA -0.411 57.766 58.200 -0.039 0.000 0.993 197 S CB 1.085 64.271 63.200 -0.024 0.000 0.923 197 S HN 0.658 nan 8.310 nan 0.000 0.567 198 E N 0.679 120.876 120.200 -0.004 0.000 2.072 198 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 198 E C 1.402 178.015 176.600 0.021 0.000 0.985 198 E CA 1.397 57.806 56.400 0.015 0.000 0.801 198 E CB -0.249 29.467 29.700 0.027 0.000 0.750 198 E HN 0.651 nan 8.360 nan 0.000 0.452 199 D N 0.363 120.776 120.400 0.021 0.000 2.178 199 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 199 D C 1.749 178.085 176.300 0.061 0.000 0.974 199 D CA 0.858 54.880 54.000 0.037 0.000 0.841 199 D CB -0.094 40.729 40.800 0.039 0.000 0.953 199 D HN 0.278 nan 8.370 nan 0.000 0.478 200 Q N -0.661 119.159 119.800 0.034 0.000 2.123 200 Q HA 0.016 4.356 4.340 -0.000 0.000 0.199 200 Q C 2.021 178.050 176.000 0.048 0.000 0.966 200 Q CA 0.641 56.468 55.803 0.040 0.000 0.845 200 Q CB 0.090 28.725 28.738 -0.171 0.000 0.907 200 Q HN 0.220 nan 8.270 nan 0.000 0.439 201 M N 0.088 119.686 119.600 -0.003 0.000 2.254 201 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 201 M C 2.111 178.437 176.300 0.042 0.000 1.066 201 M CA 1.006 56.311 55.300 0.009 0.000 1.123 201 M CB -0.524 32.071 32.600 -0.008 0.000 1.388 201 M HN 0.273 nan 8.290 nan 0.000 0.425 202 L N -0.202 121.048 121.223 0.045 0.000 2.072 202 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 202 L C 2.290 179.167 176.870 0.011 0.000 1.079 202 L CA 1.264 56.127 54.840 0.038 0.000 0.752 202 L CB -0.654 41.423 42.059 0.031 0.000 0.906 202 L HN 0.326 nan 8.230 nan 0.000 0.436 203 G N -1.142 107.663 108.800 0.008 0.000 2.471 203 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 203 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 203 G C 1.529 176.239 174.900 -0.317 0.000 1.125 203 G CA 0.652 45.698 45.100 -0.091 0.000 0.775 203 G HN 0.540 nan 8.290 nan 0.000 0.548 204 A N 0.075 122.790 122.820 -0.176 0.000 1.970 204 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 204 A C 2.509 180.114 177.584 0.034 0.000 1.170 204 A CA 1.359 53.330 52.037 -0.110 0.000 0.645 204 A CB -0.270 18.824 19.000 0.157 0.000 0.816 204 A HN 0.205 nan 8.150 nan 0.000 0.447 205 V N -0.247 119.687 119.914 0.032 0.000 2.358 205 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 205 V C 2.531 178.659 176.094 0.056 0.000 1.047 205 V CA 1.902 64.232 62.300 0.049 0.000 1.035 205 V CB -0.683 31.161 31.823 0.036 0.000 0.658 205 V HN 0.360 nan 8.190 nan 0.000 0.452 206 V N -0.519 119.413 119.914 0.030 0.000 2.358 206 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 206 V C 2.177 178.316 176.094 0.074 0.000 1.047 206 V CA 2.201 64.531 62.300 0.051 0.000 1.035 206 V CB -0.789 31.046 31.823 0.020 0.000 0.658 206 V HN 0.554 nan 8.190 nan 0.000 0.452 207 F N 2.254 122.128 119.950 -0.127 0.000 2.134 207 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 207 F C 2.166 177.950 175.800 -0.026 0.000 1.097 207 F CA 1.729 59.652 58.000 -0.129 0.000 1.264 207 F CB -0.750 38.062 39.000 -0.314 0.000 1.001 207 F HN 0.137 nan 8.300 nan 0.000 0.479 208 G N -1.313 107.497 108.800 0.017 0.000 2.403 208 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 208 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 208 G C 1.763 176.658 174.900 -0.007 0.000 1.154 208 G CA 0.843 45.933 45.100 -0.016 0.000 0.784 208 G HN 0.554 nan 8.290 nan 0.000 0.538 209 H N 0.532 119.566 119.070 -0.060 0.000 2.428 209 H HA 0.079 4.635 4.556 -0.000 0.000 0.296 209 H C 2.226 177.508 175.328 -0.077 0.000 1.062 209 H CA 1.303 57.320 56.048 -0.053 0.000 1.350 209 H CB 0.276 30.015 29.762 -0.038 0.000 1.403 209 H HN 0.443 nan 8.280 nan 0.000 0.533 210 E N -0.095 120.021 120.200 -0.140 0.000 2.112 210 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 210 E C 2.276 178.751 176.600 -0.208 0.000 0.979 210 E CA 0.328 56.615 56.400 -0.189 0.000 0.814 210 E CB 0.276 29.902 29.700 -0.124 0.000 0.762 210 E HN 0.453 nan 8.360 nan 0.000 0.460 211 Q N 0.346 119.993 119.800 -0.255 0.000 2.245 211 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 211 Q C 1.959 177.984 176.000 0.042 0.000 0.955 211 Q CA 0.949 56.649 55.803 -0.172 0.000 0.870 211 Q CB 0.084 28.613 28.738 -0.348 0.000 0.945 211 Q HN 0.501 nan 8.270 nan 0.000 0.461 212 Q N -0.596 119.190 119.800 -0.023 0.000 2.444 212 Q HA -0.015 4.325 4.340 -0.000 0.000 0.206 212 Q C 1.416 177.328 176.000 -0.147 0.000 0.948 212 Q CA 0.268 56.047 55.803 -0.040 0.000 0.946 212 Q CB 0.130 28.847 28.738 -0.035 0.000 1.027 212 Q HN 0.119 nan 8.270 nan 0.000 0.513 213 Q N 0.716 120.414 119.800 -0.170 0.000 2.170 213 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 213 Q C 2.134 178.036 176.000 -0.162 0.000 0.976 213 Q CA 1.247 56.936 55.803 -0.191 0.000 0.858 213 Q CB -0.194 28.428 28.738 -0.193 0.000 0.907 213 Q HN 0.376 nan 8.270 nan 0.000 0.433 214 V N 0.298 120.142 119.914 -0.117 0.000 2.626 214 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 214 V C 2.106 178.026 176.094 -0.290 0.000 1.067 214 V CA 0.926 63.148 62.300 -0.129 0.000 1.081 214 V CB -0.058 31.780 31.823 0.026 0.000 0.686 214 V HN 0.094 nan 8.190 nan 0.000 0.468 215 V N 0.166 119.909 119.914 -0.286 0.000 2.379 215 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 215 V C 2.223 178.132 176.094 -0.308 0.000 1.044 215 V CA 2.305 64.401 62.300 -0.340 0.000 1.036 215 V CB -0.464 31.157 31.823 -0.337 0.000 0.664 215 V HN 0.495 nan 8.190 nan 0.000 0.453 216 I N -0.199 120.233 120.570 -0.231 0.000 2.286 216 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 216 I C 2.637 178.636 176.117 -0.197 0.000 1.115 216 I CA 1.555 62.746 61.300 -0.182 0.000 1.392 216 I CB -0.440 37.468 38.000 -0.153 0.000 1.065 216 I HN 0.345 nan 8.210 nan 0.000 0.418 217 Q N 0.429 120.092 119.800 -0.227 0.000 2.119 217 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 217 Q C 1.963 177.807 176.000 -0.260 0.000 0.972 217 Q CA 1.207 56.882 55.803 -0.212 0.000 0.847 217 Q CB -0.141 28.482 28.738 -0.192 0.000 0.903 217 Q HN 0.558 nan 8.270 nan 0.000 0.433 218 N N 0.256 118.704 118.700 -0.420 0.000 2.354 218 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 218 N C 1.764 177.103 175.510 -0.284 0.000 1.021 218 N CA 0.783 53.542 53.050 -0.485 0.000 0.887 218 N CB 0.141 37.949 38.487 -1.132 0.000 0.974 218 N HN 0.247 nan 8.380 nan 0.000 0.437 219 I N 1.403 121.835 120.570 -0.230 0.000 2.286 219 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 219 I C 1.918 177.978 176.117 -0.096 0.000 1.104 219 I CA 0.735 61.962 61.300 -0.121 0.000 1.397 219 I CB -0.241 37.704 38.000 -0.092 0.000 1.072 219 I HN 0.043 nan 8.210 nan 0.000 0.417 220 N N 0.731 119.365 118.700 -0.110 0.000 2.149 220 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 220 N C 1.713 177.178 175.510 -0.074 0.000 1.019 220 N CA 1.203 54.201 53.050 -0.085 0.000 0.857 220 N CB -0.155 38.277 38.487 -0.093 0.000 0.997 220 N HN 0.370 nan 8.380 nan 0.000 0.426 221 E N 0.758 120.904 120.200 -0.090 0.000 2.216 221 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 221 E C 2.075 178.645 176.600 -0.049 0.000 0.988 221 E CA 0.055 56.413 56.400 -0.070 0.000 0.834 221 E CB -0.136 29.514 29.700 -0.084 0.000 0.772 221 E HN 0.351 nan 8.360 nan 0.000 0.479 222 L N 0.388 121.580 121.223 -0.052 0.000 2.240 222 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 222 L C 2.160 179.019 176.870 -0.019 0.000 1.106 222 L CA 0.394 55.218 54.840 -0.027 0.000 0.793 222 L CB 0.135 42.181 42.059 -0.021 0.000 0.927 222 L HN -0.068 nan 8.230 nan 0.000 0.446 223 V N -0.249 119.648 119.914 -0.027 0.000 2.427 223 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 223 V C 2.358 178.444 176.094 -0.012 0.000 1.051 223 V CA 1.689 63.978 62.300 -0.019 0.000 1.048 223 V CB -0.504 31.304 31.823 -0.025 0.000 0.666 223 V HN 0.421 nan 8.190 nan 0.000 0.456 224 K N -0.315 120.074 120.400 -0.018 0.000 2.148 224 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 224 K C 2.110 178.707 176.600 -0.006 0.000 1.050 224 K CA 1.369 57.648 56.287 -0.013 0.000 0.942 224 K CB -0.053 32.436 32.500 -0.020 0.000 0.724 224 K HN 0.569 nan 8.250 nan 0.000 0.446 225 E N -0.366 119.831 120.200 -0.006 0.000 2.075 225 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 225 E C 0.980 177.585 176.600 0.007 0.000 0.969 225 E CA 0.812 57.213 56.400 0.001 0.000 0.815 225 E CB 0.355 30.056 29.700 0.001 0.000 0.776 225 E HN 0.214 nan 8.360 nan 0.000 0.457 226 A N 0.919 123.744 122.820 0.008 0.000 2.630 226 A HA 0.352 4.672 4.320 -0.000 0.000 0.287 226 A C 0.545 178.138 177.584 0.015 0.000 1.040 226 A CA -0.041 52.005 52.037 0.014 0.000 0.971 226 A CB 0.680 19.690 19.000 0.017 0.000 1.241 226 A HN 0.144 nan 8.150 nan 0.000 0.558 227 G N 0.355 109.162 108.800 0.012 0.000 2.403 227 G HA2 0.397 4.357 3.960 -0.000 0.000 0.259 227 G HA3 0.397 4.357 3.960 -0.000 0.000 0.259 227 G C -0.094 174.824 174.900 0.029 0.000 1.244 227 G CA -0.295 44.813 45.100 0.014 0.000 0.849 227 G HN 0.382 nan 8.290 nan 0.000 0.532 228 K N 2.960 123.384 120.400 0.040 0.000 2.322 228 K HA 0.234 4.554 4.320 -0.000 0.000 0.283 228 K C -1.957 174.695 176.600 0.086 0.000 1.042 228 K CA -1.215 55.112 56.287 0.068 0.000 0.958 228 K CB 0.514 33.067 32.500 0.088 0.000 0.984 228 K HN 0.188 nan 8.250 nan 0.000 0.473 229 P HA -0.077 nan 4.420 nan 0.000 0.263 229 P C -0.836 176.568 177.300 0.172 0.000 1.175 229 P CA 0.443 63.607 63.100 0.106 0.000 0.761 229 P CB 0.408 32.163 31.700 0.092 0.000 0.794 230 R N 2.120 122.712 120.500 0.152 0.000 2.590 230 R HA 0.079 4.419 4.340 -0.000 0.000 0.274 230 R C -0.070 176.431 176.300 0.336 0.000 1.061 230 R CA -0.185 56.035 56.100 0.200 0.000 1.081 230 R CB 0.206 30.576 30.300 0.118 0.000 0.984 230 R HN 0.470 nan 8.270 nan 0.000 0.448 231 W N 1.708 123.060 121.300 0.086 0.000 2.223 231 W HA -0.053 4.607 4.660 -0.000 0.000 0.334 231 W C 0.554 177.180 176.519 0.179 0.000 1.334 231 W CA -0.290 57.137 57.345 0.137 0.000 1.246 231 W CB -0.078 29.486 29.460 0.173 0.000 1.184 231 W HN 0.488 nan 8.180 nan 0.000 0.563 232 D N 3.330 123.915 120.400 0.308 0.000 2.498 232 D HA 0.036 4.676 4.640 -0.000 0.000 0.229 232 D C -1.094 175.401 176.300 0.323 0.000 1.188 232 D CA 0.057 54.197 54.000 0.233 0.000 1.028 232 D CB -0.429 40.435 40.800 0.107 0.000 1.087 232 D HN 0.282 nan 8.370 nan 0.000 0.510 233 W N 3.082 124.499 121.300 0.195 0.000 2.600 233 W HA 0.437 5.097 4.660 -0.000 0.000 0.325 233 W C -1.307 175.301 176.519 0.149 0.000 1.034 233 W CA -0.707 56.768 57.345 0.216 0.000 1.226 233 W CB 1.225 30.900 29.460 0.358 0.000 1.379 233 W HN 0.078 nan 8.180 nan 0.000 0.466 234 Q N 6.637 126.098 119.800 -0.566 0.000 2.356 234 Q HA 0.461 4.801 4.340 -0.000 0.000 0.270 234 Q C -2.119 173.219 176.000 -1.104 0.000 1.058 234 Q CA -1.836 53.602 55.803 -0.608 0.000 0.802 234 Q CB 1.984 30.557 28.738 -0.275 0.000 1.303 234 Q HN 0.261 nan 8.270 nan 0.000 0.444 235 P HA 0.008 nan 4.420 nan 0.000 0.272 235 P C -0.757 176.354 177.300 -0.315 0.000 1.240 235 P CA -0.321 62.407 63.100 -0.619 0.000 0.791 235 P CB 0.672 32.259 31.700 -0.190 0.000 0.978 236 E N 1.288 121.384 120.200 -0.173 0.000 2.529 236 E HA 0.026 4.375 4.350 -0.000 0.000 0.259 236 E C -1.746 174.809 176.600 -0.075 0.000 0.966 236 E CA -0.868 55.473 56.400 -0.099 0.000 0.937 236 E CB -0.735 28.943 29.700 -0.036 0.000 0.923 236 E HN 0.342 nan 8.360 nan 0.000 0.468 237 P HA -0.047 nan 4.420 nan 0.000 0.265 237 P C -0.838 176.445 177.300 -0.028 0.000 1.193 237 P CA -0.088 62.983 63.100 -0.049 0.000 0.765 237 P CB 0.424 32.097 31.700 -0.045 0.000 0.823 238 V N 3.713 123.615 119.914 -0.020 0.000 2.403 238 V HA -0.017 4.103 4.120 -0.000 0.000 0.265 238 V C 0.927 177.017 176.094 -0.006 0.000 1.034 238 V CA 0.128 62.423 62.300 -0.008 0.000 1.036 238 V CB -0.658 31.162 31.823 -0.005 0.000 1.032 238 V HN 0.519 nan 8.190 nan 0.000 0.478 239 N N 4.349 123.047 118.700 -0.002 0.000 2.602 239 N HA 0.131 4.871 4.740 -0.000 0.000 0.238 239 N C 1.077 176.588 175.510 0.002 0.000 1.084 239 N CA -0.087 52.963 53.050 -0.001 0.000 0.952 239 N CB 0.594 39.082 38.487 0.001 0.000 1.244 239 N HN 0.648 nan 8.380 nan 0.000 0.512 240 E N 1.406 121.607 120.200 0.001 0.000 2.208 240 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 240 E C 1.309 177.911 176.600 0.003 0.000 0.988 240 E CA 0.881 57.282 56.400 0.002 0.000 0.828 240 E CB 0.138 29.838 29.700 0.000 0.000 0.763 240 E HN 0.690 nan 8.360 nan 0.000 0.478 241 A N 0.810 123.631 122.820 0.002 0.000 1.968 241 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 241 A C 2.053 179.640 177.584 0.004 0.000 1.169 241 A CA 0.627 52.665 52.037 0.002 0.000 0.638 241 A CB -0.223 18.778 19.000 0.001 0.000 0.812 241 A HN 0.200 nan 8.150 nan 0.000 0.446 242 L N -0.757 120.469 121.223 0.005 0.000 2.202 242 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 242 L C 1.793 178.669 176.870 0.011 0.000 1.083 242 L CA 0.763 55.608 54.840 0.008 0.000 0.790 242 L CB -0.166 41.898 42.059 0.009 0.000 0.942 242 L HN 0.282 nan 8.230 nan 0.000 0.452 243 N N 0.220 118.926 118.700 0.011 0.000 2.309 243 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 243 N C 1.666 177.182 175.510 0.010 0.000 1.018 243 N CA 1.189 54.246 53.050 0.013 0.000 0.876 243 N CB -0.181 38.313 38.487 0.012 0.000 0.972 243 N HN 0.362 nan 8.380 nan 0.000 0.434 244 A N 1.523 124.347 122.820 0.008 0.000 1.930 244 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 244 A C 2.126 179.714 177.584 0.007 0.000 1.176 244 A CA 1.040 53.081 52.037 0.006 0.000 0.632 244 A CB -0.296 18.706 19.000 0.004 0.000 0.819 244 A HN 0.438 nan 8.150 nan 0.000 0.445 245 R N -0.691 119.814 120.500 0.008 0.000 2.153 245 R HA 0.047 4.387 4.340 -0.000 0.000 0.218 245 R C 1.467 177.773 176.300 0.010 0.000 1.072 245 R CA 1.354 57.458 56.100 0.008 0.000 0.990 245 R CB -0.685 29.620 30.300 0.008 0.000 0.889 245 R HN 0.210 nan 8.270 nan 0.000 0.452 246 V N 1.674 121.595 119.914 0.012 0.000 2.379 246 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 246 V C 2.610 178.713 176.094 0.015 0.000 1.044 246 V CA 1.801 64.110 62.300 0.015 0.000 1.036 246 V CB -0.431 31.404 31.823 0.019 0.000 0.664 246 V HN 0.530 nan 8.190 nan 0.000 0.453 247 A N 0.024 122.852 122.820 0.013 0.000 2.067 247 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 247 A C 2.288 179.877 177.584 0.009 0.000 1.158 247 A CA 1.521 53.564 52.037 0.010 0.000 0.661 247 A CB -0.506 18.498 19.000 0.008 0.000 0.801 247 A HN 0.544 nan 8.150 nan 0.000 0.452 248 A N -1.227 121.598 122.820 0.009 0.000 2.119 248 A HA 0.229 4.549 4.320 -0.000 0.000 0.217 248 A C 1.939 179.528 177.584 0.009 0.000 1.153 248 A CA 1.306 53.347 52.037 0.008 0.000 0.692 248 A CB -0.256 18.748 19.000 0.007 0.000 0.799 248 A HN 0.526 nan 8.150 nan 0.000 0.458 249 L N -2.841 118.388 121.223 0.010 0.000 2.577 249 L HA 0.348 4.688 4.340 -0.000 0.000 0.225 249 L C 2.364 179.242 176.870 0.013 0.000 1.053 249 L CA 0.985 55.832 54.840 0.011 0.000 0.866 249 L CB 0.131 42.197 42.059 0.011 0.000 1.132 249 L HN 0.275 nan 8.230 nan 0.000 0.486 250 A N -0.757 122.073 122.820 0.015 0.000 1.920 250 A HA -0.074 4.246 4.320 -0.000 0.000 0.209 250 A C 1.985 179.582 177.584 0.021 0.000 1.229 250 A CA 0.790 52.839 52.037 0.020 0.000 0.671 250 A CB -0.351 18.663 19.000 0.023 0.000 0.886 250 A HN 0.356 nan 8.150 nan 0.000 0.461 251 E N 0.387 120.597 120.200 0.017 0.000 2.130 251 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 251 E C 2.003 178.613 176.600 0.017 0.000 0.998 251 E CA 1.302 57.710 56.400 0.014 0.000 0.806 251 E CB -0.212 29.492 29.700 0.007 0.000 0.738 251 E HN 0.534 nan 8.360 nan 0.000 0.459 252 A N 1.068 123.897 122.820 0.015 0.000 1.898 252 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 252 A C 2.158 179.753 177.584 0.019 0.000 1.181 252 A CA 1.405 53.451 52.037 0.015 0.000 0.620 252 A CB -0.331 18.675 19.000 0.011 0.000 0.819 252 A HN 0.177 nan 8.150 nan 0.000 0.442 253 R N -0.734 119.778 120.500 0.020 0.000 2.127 253 R HA 0.154 4.494 4.340 -0.000 0.000 0.217 253 R C 1.886 178.206 176.300 0.033 0.000 1.074 253 R CA 0.848 56.959 56.100 0.020 0.000 0.991 253 R CB -0.353 29.955 30.300 0.014 0.000 0.895 253 R HN 0.475 nan 8.270 nan 0.000 0.450 254 L N 0.105 121.358 121.223 0.049 0.000 2.217 254 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 254 L C 2.499 179.456 176.870 0.145 0.000 1.107 254 L CA 0.752 55.652 54.840 0.100 0.000 0.783 254 L CB -0.289 41.828 42.059 0.098 0.000 0.919 254 L HN 0.151 nan 8.230 nan 0.000 0.442 255 S N -0.318 115.431 115.700 0.081 0.000 2.406 255 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 255 S C 1.491 176.137 174.600 0.077 0.000 1.020 255 S CA 1.244 59.487 58.200 0.072 0.000 0.965 255 S CB -0.063 63.157 63.200 0.034 0.000 0.798 255 S HN 0.392 nan 8.310 nan 0.000 0.488 256 D N 0.932 121.365 120.400 0.054 0.000 2.323 256 D HA 0.243 4.883 4.640 -0.000 0.000 0.209 256 D C 1.949 178.263 176.300 0.023 0.000 0.973 256 D CA 0.822 54.843 54.000 0.035 0.000 0.874 256 D CB -0.242 40.569 40.800 0.019 0.000 0.930 256 D HN 0.452 nan 8.370 nan 0.000 0.521 257 A N -0.030 122.803 122.820 0.022 0.000 1.929 257 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 257 A C 1.043 178.532 177.584 -0.159 0.000 1.176 257 A CA 0.749 52.740 52.037 -0.076 0.000 0.628 257 A CB -0.677 18.258 19.000 -0.108 0.000 0.816 257 A HN 0.221 nan 8.150 nan 0.000 0.444 258 Y N -0.772 119.510 120.300 -0.029 0.000 2.881 258 Y HA 0.317 4.867 4.550 -0.000 0.000 0.369 258 Y C 1.806 177.701 175.900 -0.008 0.000 1.066 258 Y CA 0.085 58.170 58.100 -0.025 0.000 1.616 258 Y CB 0.010 38.449 38.460 -0.036 0.000 1.436 258 Y HN 0.259 nan 8.280 nan 0.000 0.505 259 R N 0.124 120.669 120.500 0.074 0.000 2.412 259 R HA 0.237 4.577 4.340 -0.000 0.000 0.212 259 R C 0.450 176.768 176.300 0.031 0.000 0.878 259 R CA 0.057 56.190 56.100 0.055 0.000 1.022 259 R CB 0.553 30.877 30.300 0.041 0.000 1.265 259 R HN 0.360 nan 8.270 nan 0.000 0.620 260 I N -0.176 120.400 120.570 0.009 0.000 2.662 260 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 260 I C 1.399 177.525 176.117 0.015 0.000 1.046 260 I CA -0.336 60.967 61.300 0.005 0.000 1.361 260 I CB 1.540 39.534 38.000 -0.010 0.000 1.429 260 I HN -0.031 nan 8.210 nan 0.000 0.558 261 T N 0.039 114.605 114.554 0.020 0.000 2.770 261 T HA -0.079 4.271 4.350 -0.000 0.000 0.258 261 T C 0.671 175.391 174.700 0.034 0.000 1.039 261 T CA 0.585 62.703 62.100 0.029 0.000 1.143 261 T CB -0.441 68.441 68.868 0.023 0.000 0.866 261 T HN 0.762 nan 8.240 nan 0.000 0.428 262 D N 1.113 121.528 120.400 0.026 0.000 2.424 262 D HA 0.145 4.785 4.640 -0.000 0.000 0.244 262 D C 1.097 177.427 176.300 0.050 0.000 1.134 262 D CA -0.013 54.004 54.000 0.029 0.000 0.881 262 D CB 1.020 41.830 40.800 0.018 0.000 1.191 262 D HN 0.241 nan 8.370 nan 0.000 0.445 263 K N 2.056 122.491 120.400 0.057 0.000 2.062 263 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 263 K C 1.642 178.304 176.600 0.104 0.000 1.051 263 K CA 0.965 57.312 56.287 0.101 0.000 0.941 263 K CB 0.125 32.637 32.500 0.020 0.000 0.719 263 K HN 0.556 nan 8.250 nan 0.000 0.440 264 Q N 0.198 120.017 119.800 0.033 0.000 2.167 264 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 264 Q C 1.698 177.728 176.000 0.049 0.000 0.970 264 Q CA 1.424 57.244 55.803 0.028 0.000 0.855 264 Q CB 0.134 28.874 28.738 0.002 0.000 0.911 264 Q HN 0.411 nan 8.270 nan 0.000 0.438 265 E N 0.128 120.350 120.200 0.037 0.000 2.158 265 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 265 E C 1.955 178.560 176.600 0.008 0.000 0.982 265 E CA 0.403 56.814 56.400 0.019 0.000 0.823 265 E CB 0.063 29.768 29.700 0.008 0.000 0.766 265 E HN 0.172 nan 8.360 nan 0.000 0.468 266 R N 0.045 120.557 120.500 0.021 0.000 2.055 266 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 266 R C 1.856 178.101 176.300 -0.092 0.000 1.135 266 R CA 1.050 57.109 56.100 -0.070 0.000 0.959 266 R CB -0.173 30.072 30.300 -0.092 0.000 0.854 266 R HN 0.169 nan 8.270 nan 0.000 0.431 267 Y N 0.163 120.399 120.300 -0.107 0.000 2.333 267 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 267 Y C 2.295 178.162 175.900 -0.055 0.000 1.144 267 Y CA 1.137 59.191 58.100 -0.078 0.000 1.228 267 Y CB 0.038 38.476 38.460 -0.037 0.000 0.985 267 Y HN 0.307 nan 8.280 nan 0.000 0.542 268 A N -0.656 122.218 122.820 0.090 0.000 1.898 268 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 268 A C 2.009 179.594 177.584 0.000 0.000 1.183 268 A CA 1.439 53.501 52.037 0.042 0.000 0.622 268 A CB -0.504 18.517 19.000 0.035 0.000 0.824 268 A HN 0.366 nan 8.150 nan 0.000 0.444 269 Q N -0.350 119.434 119.800 -0.026 0.000 2.119 269 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 269 Q C 1.820 177.780 176.000 -0.066 0.000 0.972 269 Q CA 1.861 57.638 55.803 -0.044 0.000 0.847 269 Q CB -0.578 28.128 28.738 -0.053 0.000 0.903 269 Q HN 0.301 nan 8.270 nan 0.000 0.433 270 V N 0.584 120.426 119.914 -0.121 0.000 2.759 270 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 270 V C 1.440 177.494 176.094 -0.067 0.000 1.080 270 V CA 2.182 64.400 62.300 -0.138 0.000 1.101 270 V CB -0.251 31.392 31.823 -0.301 0.000 0.698 270 V HN 0.480 nan 8.190 nan 0.000 0.477 271 D N -0.982 119.392 120.400 -0.043 0.000 2.194 271 D HA -0.102 4.537 4.640 -0.000 0.000 0.204 271 D C 2.027 178.328 176.300 0.002 0.000 0.964 271 D CA 1.329 55.326 54.000 -0.005 0.000 0.846 271 D CB 0.104 40.915 40.800 0.018 0.000 0.962 271 D HN 0.311 nan 8.370 nan 0.000 0.490 272 V N 0.602 120.514 119.914 -0.004 0.000 2.343 272 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 272 V C 2.452 178.547 176.094 0.002 0.000 1.051 272 V CA 1.331 63.631 62.300 0.000 0.000 1.036 272 V CB -0.398 31.423 31.823 -0.003 0.000 0.654 272 V HN 0.283 nan 8.190 nan 0.000 0.451 273 I N -0.550 120.018 120.570 -0.003 0.000 2.252 273 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 273 I C 2.526 178.651 176.117 0.012 0.000 1.102 273 I CA 1.557 62.859 61.300 0.004 0.000 1.385 273 I CB -0.485 37.517 38.000 0.003 0.000 1.064 273 I HN 0.215 nan 8.210 nan 0.000 0.414 274 K N 0.235 120.642 120.400 0.013 0.000 2.057 274 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 274 K C 2.433 179.046 176.600 0.022 0.000 1.049 274 K CA 1.721 58.022 56.287 0.023 0.000 0.931 274 K CB -0.219 32.297 32.500 0.027 0.000 0.714 274 K HN 0.155 nan 8.250 nan 0.000 0.440 275 S N 0.814 116.525 115.700 0.018 0.000 2.387 275 S HA -0.116 4.353 4.470 -0.000 0.000 0.226 275 S C 1.645 176.254 174.600 0.016 0.000 1.026 275 S CA 1.150 59.361 58.200 0.018 0.000 0.972 275 S CB -0.001 63.208 63.200 0.016 0.000 0.814 275 S HN 0.253 nan 8.310 nan 0.000 0.477 276 E N -0.118 120.090 120.200 0.013 0.000 2.158 276 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 276 E C 1.951 178.559 176.600 0.013 0.000 0.982 276 E CA 1.373 57.780 56.400 0.012 0.000 0.823 276 E CB -0.117 29.589 29.700 0.009 0.000 0.766 276 E HN 0.503 nan 8.360 nan 0.000 0.468 277 T N 1.188 115.752 114.554 0.016 0.000 2.812 277 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 277 T C 1.980 176.691 174.700 0.018 0.000 1.042 277 T CA 0.684 62.794 62.100 0.017 0.000 1.140 277 T CB -0.060 68.820 68.868 0.020 0.000 0.870 277 T HN 0.092 nan 8.240 nan 0.000 0.445 278 I N 1.457 122.039 120.570 0.020 0.000 2.315 278 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 278 I C 2.914 179.041 176.117 0.017 0.000 1.117 278 I CA 0.912 62.224 61.300 0.021 0.000 1.404 278 I CB -0.427 37.587 38.000 0.024 0.000 1.071 278 I HN 0.178 nan 8.210 nan 0.000 0.419 279 A N -0.240 122.589 122.820 0.016 0.000 1.930 279 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 279 A C 2.429 180.020 177.584 0.012 0.000 1.175 279 A CA 2.375 54.420 52.037 0.013 0.000 0.627 279 A CB -0.929 18.078 19.000 0.012 0.000 0.815 279 A HN 0.371 nan 8.150 nan 0.000 0.443 280 T N -1.063 113.498 114.554 0.012 0.000 3.023 280 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 280 T C 1.608 176.314 174.700 0.010 0.000 1.093 280 T CA 0.971 63.077 62.100 0.010 0.000 1.129 280 T CB -0.359 68.515 68.868 0.010 0.000 0.899 280 T HN 0.352 nan 8.240 nan 0.000 0.491 281 L N 0.042 121.272 121.223 0.012 0.000 2.209 281 L HA 0.240 4.580 4.340 -0.000 0.000 0.207 281 L C 2.261 179.137 176.870 0.011 0.000 1.094 281 L CA 0.557 55.404 54.840 0.012 0.000 0.790 281 L CB -0.169 41.898 42.059 0.014 0.000 0.932 281 L HN 0.254 nan 8.230 nan 0.000 0.447 282 L N -0.538 120.692 121.223 0.012 0.000 2.217 282 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 282 L C 2.682 179.558 176.870 0.010 0.000 1.107 282 L CA 0.795 55.641 54.840 0.011 0.000 0.783 282 L CB -0.554 41.512 42.059 0.013 0.000 0.919 282 L HN 0.207 nan 8.230 nan 0.000 0.442 283 A N -0.476 122.349 122.820 0.009 0.000 2.016 283 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 283 A C 2.249 179.837 177.584 0.007 0.000 1.162 283 A CA 1.294 53.336 52.037 0.008 0.000 0.662 283 A CB -0.170 18.834 19.000 0.008 0.000 0.812 283 A HN 0.443 nan 8.150 nan 0.000 0.450 284 E N -0.963 119.241 120.200 0.007 0.000 2.127 284 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 284 E C -0.601 176.003 176.600 0.007 0.000 0.964 284 E CA 0.589 56.993 56.400 0.007 0.000 0.832 284 E CB 0.294 29.998 29.700 0.007 0.000 0.790 284 E HN 0.329 nan 8.360 nan 0.000 0.465 285 D N 0.047 120.451 120.400 0.007 0.000 2.336 285 D HA -0.002 4.638 4.640 -0.000 0.000 0.248 285 D C 0.128 176.433 176.300 0.008 0.000 1.326 285 D CA -0.186 53.819 54.000 0.007 0.000 0.973 285 D CB 1.014 41.818 40.800 0.007 0.000 1.255 285 D HN 0.253 nan 8.370 nan 0.000 0.558 286 E N 0.773 120.978 120.200 0.008 0.000 2.285 286 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 286 E C 0.414 177.019 176.600 0.009 0.000 0.997 286 E CA 0.467 56.873 56.400 0.009 0.000 0.845 286 E CB -0.242 29.463 29.700 0.008 0.000 0.782 286 E HN 0.314 nan 8.360 nan 0.000 0.491 287 T N 1.000 115.558 114.554 0.007 0.000 4.098 287 T HA 0.390 4.740 4.350 -0.000 0.000 0.291 287 T C -0.176 174.529 174.700 0.008 0.000 1.440 287 T CA -0.570 61.534 62.100 0.007 0.000 1.164 287 T CB 0.050 68.922 68.868 0.005 0.000 1.313 287 T HN 0.099 nan 8.240 nan 0.000 0.951 288 L N 1.248 122.477 121.223 0.010 0.000 2.466 288 L HA 0.595 4.935 4.340 -0.000 0.000 0.258 288 L C -1.435 175.444 176.870 0.014 0.000 0.973 288 L CA -0.494 54.353 54.840 0.011 0.000 0.826 288 L CB 2.246 44.312 42.059 0.012 0.000 1.372 288 L HN 0.325 nan 8.230 nan 0.000 0.409 289 D N 1.983 122.392 120.400 0.015 0.000 2.390 289 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 289 D C 0.933 177.247 176.300 0.023 0.000 1.144 289 D CA 0.512 54.523 54.000 0.019 0.000 0.880 289 D CB 1.150 41.961 40.800 0.019 0.000 1.182 289 D HN 0.687 nan 8.370 nan 0.000 0.451 290 E N 2.663 122.878 120.200 0.025 0.000 2.112 290 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 290 E C 0.927 177.547 176.600 0.034 0.000 0.979 290 E CA 0.371 56.788 56.400 0.028 0.000 0.814 290 E CB 0.196 29.913 29.700 0.027 0.000 0.762 290 E HN 0.430 nan 8.360 nan 0.000 0.460 291 N N 0.991 119.713 118.700 0.036 0.000 2.331 291 N HA -0.164 4.576 4.740 -0.000 0.000 0.180 291 N C 1.569 177.106 175.510 0.044 0.000 1.019 291 N CA 0.859 53.935 53.050 0.044 0.000 0.881 291 N CB -0.096 38.419 38.487 0.047 0.000 0.972 291 N HN 0.365 nan 8.380 nan 0.000 0.435 292 E N 0.836 121.059 120.200 0.038 0.000 2.107 292 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 292 E C 1.879 178.503 176.600 0.041 0.000 0.982 292 E CA 0.366 56.788 56.400 0.038 0.000 0.809 292 E CB 0.075 29.793 29.700 0.029 0.000 0.756 292 E HN 0.238 nan 8.360 nan 0.000 0.459 293 L N -0.007 121.239 121.223 0.038 0.000 2.141 293 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 293 L C 2.529 179.429 176.870 0.051 0.000 1.094 293 L CA 1.061 55.925 54.840 0.040 0.000 0.763 293 L CB -0.369 41.710 42.059 0.033 0.000 0.908 293 L HN 0.266 nan 8.230 nan 0.000 0.437 294 G N -0.593 108.240 108.800 0.054 0.000 2.443 294 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 294 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 294 G C 1.432 176.385 174.900 0.089 0.000 1.131 294 G CA 0.320 45.460 45.100 0.067 0.000 0.775 294 G HN 0.404 nan 8.290 nan 0.000 0.547 295 E N -0.074 120.172 120.200 0.077 0.000 2.158 295 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 295 E C 2.386 179.055 176.600 0.116 0.000 0.982 295 E CA 0.247 56.702 56.400 0.092 0.000 0.823 295 E CB 0.030 29.771 29.700 0.069 0.000 0.766 295 E HN 0.314 nan 8.360 nan 0.000 0.468 296 I N 0.880 121.500 120.570 0.084 0.000 2.353 296 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 296 I C 2.300 178.460 176.117 0.071 0.000 1.119 296 I CA 1.126 62.467 61.300 0.068 0.000 1.417 296 I CB -0.892 37.136 38.000 0.047 0.000 1.078 296 I HN 0.154 nan 8.210 nan 0.000 0.421 297 L N -0.213 121.058 121.223 0.079 0.000 2.141 297 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 297 L C 2.660 179.582 176.870 0.087 0.000 1.094 297 L CA 1.211 56.095 54.840 0.073 0.000 0.763 297 L CB -0.753 41.350 42.059 0.072 0.000 0.908 297 L HN 0.279 nan 8.230 nan 0.000 0.437 298 H N -0.327 118.761 119.070 0.030 0.000 2.428 298 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 298 H C 2.133 177.468 175.328 0.012 0.000 1.062 298 H CA 1.112 57.177 56.048 0.028 0.000 1.350 298 H CB 0.264 30.051 29.762 0.041 0.000 1.403 298 H HN 0.274 nan 8.280 nan 0.000 0.533 299 A N 0.657 123.534 122.820 0.096 0.000 1.969 299 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 299 A C 2.067 179.631 177.584 -0.032 0.000 1.169 299 A CA 1.237 53.297 52.037 0.039 0.000 0.635 299 A CB -0.340 18.697 19.000 0.062 0.000 0.810 299 A HN 0.428 nan 8.150 nan 0.000 0.445 300 I N 0.157 120.708 120.570 -0.032 0.000 2.286 300 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 300 I C 2.205 178.250 176.117 -0.121 0.000 1.104 300 I CA 1.261 62.530 61.300 -0.051 0.000 1.397 300 I CB -1.706 36.285 38.000 -0.016 0.000 1.072 300 I HN 0.451 nan 8.210 nan 0.000 0.417 301 E N 1.139 121.237 120.200 -0.170 0.000 2.118 301 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 301 E C 2.127 178.471 176.600 -0.426 0.000 0.992 301 E CA 1.225 57.422 56.400 -0.340 0.000 0.804 301 E CB -0.064 29.450 29.700 -0.310 0.000 0.741 301 E HN 0.491 nan 8.360 nan 0.000 0.458 302 K N 0.463 120.670 120.400 -0.322 0.000 2.103 302 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 302 K C 1.980 178.484 176.600 -0.159 0.000 1.052 302 K CA 1.060 57.209 56.287 -0.229 0.000 0.945 302 K CB -0.074 32.343 32.500 -0.138 0.000 0.722 302 K HN -0.041 nan 8.250 nan 0.000 0.443 303 N N 0.615 119.237 118.700 -0.129 0.000 2.270 303 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 303 N C 1.501 176.950 175.510 -0.101 0.000 1.016 303 N CA 0.678 53.675 53.050 -0.088 0.000 0.870 303 N CB 0.121 38.574 38.487 -0.057 0.000 0.979 303 N HN -0.111 nan 8.380 nan 0.000 0.431 304 V N -0.368 119.458 119.914 -0.146 0.000 2.307 304 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 304 V C 2.197 178.202 176.094 -0.149 0.000 1.045 304 V CA 1.235 63.453 62.300 -0.137 0.000 1.024 304 V CB -0.335 31.398 31.823 -0.150 0.000 0.651 304 V HN 0.139 nan 8.190 nan 0.000 0.449 305 V N -0.223 119.552 119.914 -0.232 0.000 2.323 305 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 305 V C 2.532 178.569 176.094 -0.094 0.000 1.041 305 V CA 1.913 64.104 62.300 -0.182 0.000 1.025 305 V CB -0.753 30.916 31.823 -0.256 0.000 0.656 305 V HN 0.433 nan 8.190 nan 0.000 0.451 306 R N 1.000 121.446 120.500 -0.089 0.000 2.073 306 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 306 R C 2.585 178.864 176.300 -0.035 0.000 1.134 306 R CA 1.781 57.852 56.100 -0.048 0.000 0.952 306 R CB -0.570 29.705 30.300 -0.041 0.000 0.850 306 R HN 0.676 nan 8.270 nan 0.000 0.433 307 S N 0.232 115.907 115.700 -0.041 0.000 2.453 307 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 307 S C 1.950 176.534 174.600 -0.025 0.000 1.005 307 S CA 0.632 58.814 58.200 -0.030 0.000 0.949 307 S CB -0.042 63.140 63.200 -0.030 0.000 0.774 307 S HN 0.224 nan 8.310 nan 0.000 0.510 308 R N 0.617 121.100 120.500 -0.029 0.000 2.062 308 R HA 0.081 4.421 4.340 -0.000 0.000 0.229 308 R C 2.030 178.323 176.300 -0.012 0.000 1.128 308 R CA 1.424 57.513 56.100 -0.018 0.000 0.960 308 R CB -0.352 29.938 30.300 -0.017 0.000 0.855 308 R HN 0.395 nan 8.270 nan 0.000 0.432 309 V N 1.068 120.975 119.914 -0.011 0.000 2.548 309 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 309 V C 2.060 178.149 176.094 -0.008 0.000 1.055 309 V CA 0.881 63.178 62.300 -0.004 0.000 1.065 309 V CB -0.367 31.458 31.823 0.003 0.000 0.681 309 V HN 0.287 nan 8.190 nan 0.000 0.462 310 L N 1.222 122.438 121.223 -0.012 0.000 2.093 310 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 310 L C 2.401 179.256 176.870 -0.025 0.000 1.085 310 L CA 2.223 57.053 54.840 -0.017 0.000 0.755 310 L CB -1.140 40.910 42.059 -0.015 0.000 0.904 310 L HN 0.242 nan 8.230 nan 0.000 0.435 311 A N -1.334 121.474 122.820 -0.021 0.000 1.929 311 A HA 0.330 4.650 4.320 -0.000 0.000 0.216 311 A C 1.833 179.404 177.584 -0.022 0.000 1.176 311 A CA 1.295 53.319 52.037 -0.022 0.000 0.628 311 A CB -0.569 18.421 19.000 -0.017 0.000 0.816 311 A HN 0.769 nan 8.150 nan 0.000 0.444 312 G N -1.358 107.432 108.800 -0.017 0.000 2.273 312 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.162 312 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.162 312 G C -0.194 174.701 174.900 -0.008 0.000 1.006 312 G CA 0.059 45.150 45.100 -0.015 0.000 0.704 312 G HN 0.495 nan 8.290 nan 0.000 0.487 313 E N 1.917 122.114 120.200 -0.006 0.000 2.390 313 E HA 0.383 4.733 4.350 -0.000 0.000 0.261 313 E C -1.813 174.790 176.600 0.005 0.000 1.076 313 E CA -1.375 55.025 56.400 -0.000 0.000 0.905 313 E CB 1.010 30.710 29.700 0.001 0.000 0.984 313 E HN 0.205 nan 8.360 nan 0.000 0.427 314 P HA -0.019 nan 4.420 nan 0.000 0.269 314 P C -0.377 176.936 177.300 0.022 0.000 1.217 314 P CA 0.230 63.338 63.100 0.014 0.000 0.783 314 P CB 0.708 32.417 31.700 0.015 0.000 0.898 315 R N 0.308 120.824 120.500 0.027 0.000 2.828 315 R HA 0.207 4.547 4.340 -0.000 0.000 0.270 315 R C 2.030 178.362 176.300 0.053 0.000 1.244 315 R CA -0.464 55.660 56.100 0.039 0.000 1.143 315 R CB -0.272 30.053 30.300 0.041 0.000 1.128 315 R HN 0.367 nan 8.270 nan 0.000 0.587 316 I N 0.721 121.336 120.570 0.074 0.000 2.179 316 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 316 I C 1.514 177.674 176.117 0.071 0.000 1.088 316 I CA 1.457 62.815 61.300 0.097 0.000 1.357 316 I CB -0.410 37.677 38.000 0.145 0.000 1.051 316 I HN 0.661 nan 8.210 nan 0.000 0.409 317 D N 0.797 121.234 120.400 0.062 0.000 2.328 317 D HA 0.073 4.713 4.640 -0.000 0.000 0.221 317 D C 1.225 177.546 176.300 0.034 0.000 1.072 317 D CA 0.520 54.548 54.000 0.046 0.000 0.850 317 D CB 0.012 40.840 40.800 0.047 0.000 0.922 317 D HN 0.366 nan 8.370 nan 0.000 0.516 318 G N 0.860 109.680 108.800 0.034 0.000 2.291 318 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.271 318 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.271 318 G C -0.141 174.771 174.900 0.020 0.000 1.099 318 G CA -0.273 44.841 45.100 0.025 0.000 0.919 318 G HN 0.417 nan 8.290 nan 0.000 0.496 319 R N -0.649 119.864 120.500 0.022 0.000 2.873 319 R HA 0.573 4.913 4.340 -0.000 0.000 0.264 319 R C -0.084 176.224 176.300 0.012 0.000 1.026 319 R CA -1.013 55.096 56.100 0.015 0.000 1.002 319 R CB 1.106 31.417 30.300 0.018 0.000 1.174 319 R HN 0.231 nan 8.270 nan 0.000 0.488 320 E N 1.411 121.614 120.200 0.006 0.000 2.312 320 E HA 0.030 4.380 4.350 -0.000 0.000 0.259 320 E C 0.616 177.220 176.600 0.006 0.000 1.122 320 E CA -0.119 56.283 56.400 0.004 0.000 0.922 320 E CB 0.924 30.623 29.700 -0.002 0.000 1.109 320 E HN 0.523 nan 8.360 nan 0.000 0.442 321 K N 0.312 120.716 120.400 0.007 0.000 2.209 321 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 321 K C 0.554 177.162 176.600 0.013 0.000 1.048 321 K CA 1.848 58.142 56.287 0.012 0.000 0.940 321 K CB 0.067 32.574 32.500 0.011 0.000 0.729 321 K HN 0.274 nan 8.250 nan 0.000 0.451 322 D N -0.240 120.163 120.400 0.005 0.000 2.441 322 D HA 0.030 4.669 4.640 -0.000 0.000 0.210 322 D C 0.563 176.854 176.300 -0.016 0.000 1.102 322 D CA -0.279 53.722 54.000 0.001 0.000 0.840 322 D CB -0.072 40.730 40.800 0.002 0.000 0.990 322 D HN 0.177 nan 8.370 nan 0.000 0.505 323 M N 1.487 121.074 119.600 -0.021 0.000 2.217 323 M HA 0.325 4.805 4.480 -0.000 0.000 0.354 323 M C -0.453 175.824 176.300 -0.039 0.000 1.225 323 M CA -0.628 54.645 55.300 -0.044 0.000 1.137 323 M CB 0.663 33.244 32.600 -0.031 0.000 1.576 323 M HN 0.060 nan 8.290 nan 0.000 0.461 324 I N 1.567 122.091 120.570 -0.076 0.000 2.822 324 I HA 0.596 4.766 4.170 -0.000 0.000 0.312 324 I C -0.158 175.943 176.117 -0.027 0.000 1.011 324 I CA -0.832 60.444 61.300 -0.041 0.000 1.105 324 I CB 1.127 39.104 38.000 -0.039 0.000 1.291 324 I HN 0.642 nan 8.210 nan 0.000 0.474 325 R N 1.272 121.778 120.500 0.011 0.000 2.738 325 R HA 0.445 4.785 4.340 -0.000 0.000 0.275 325 R C 0.331 176.645 176.300 0.024 0.000 1.121 325 R CA 0.022 56.133 56.100 0.017 0.000 1.207 325 R CB 0.169 30.484 30.300 0.025 0.000 1.141 325 R HN 0.988 nan 8.270 nan 0.000 0.571 326 G N 0.572 109.381 108.800 0.014 0.000 2.483 326 G HA2 0.339 4.299 3.960 -0.000 0.000 0.248 326 G HA3 0.339 4.299 3.960 -0.000 0.000 0.248 326 G C -0.582 174.306 174.900 -0.019 0.000 1.248 326 G CA -0.472 44.637 45.100 0.014 0.000 0.838 326 G HN 0.244 nan 8.290 nan 0.000 0.566 327 L N 1.232 122.447 121.223 -0.013 0.000 2.346 327 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 327 L C -0.836 175.960 176.870 -0.122 0.000 1.007 327 L CA -0.917 53.865 54.840 -0.096 0.000 0.818 327 L CB 2.378 44.440 42.059 0.005 0.000 1.284 327 L HN 0.413 nan 8.230 nan 0.000 0.424 328 D N 1.935 122.192 120.400 -0.238 0.000 2.575 328 D HA 0.381 5.021 4.640 -0.000 0.000 0.250 328 D C -1.405 174.799 176.300 -0.160 0.000 1.279 328 D CA -0.206 53.700 54.000 -0.157 0.000 0.925 328 D CB 2.088 42.809 40.800 -0.131 0.000 1.261 328 D HN 0.061 nan 8.370 nan 0.000 0.567 329 V N 5.324 125.219 119.914 -0.032 0.000 2.347 329 V HA 0.541 4.661 4.120 -0.000 0.000 0.280 329 V C 0.214 176.340 176.094 0.053 0.000 1.021 329 V CA -0.556 61.787 62.300 0.072 0.000 0.847 329 V CB 1.306 33.211 31.823 0.136 0.000 0.990 329 V HN 0.380 nan 8.190 nan 0.000 0.444 330 R N 2.777 123.317 120.500 0.066 0.000 2.476 330 R HA 0.632 4.972 4.340 -0.000 0.000 0.305 330 R C -0.886 175.449 176.300 0.058 0.000 0.965 330 R CA -0.506 55.622 56.100 0.046 0.000 0.867 330 R CB 2.275 32.590 30.300 0.025 0.000 1.176 330 R HN 0.676 nan 8.270 nan 0.000 0.447 331 T N 0.513 115.094 114.554 0.045 0.000 2.823 331 T HA 0.481 4.831 4.350 -0.000 0.000 0.279 331 T C 0.653 175.370 174.700 0.028 0.000 0.998 331 T CA -0.272 61.853 62.100 0.042 0.000 0.994 331 T CB 1.757 70.648 68.868 0.039 0.000 0.960 331 T HN 0.825 nan 8.240 nan 0.000 0.448 332 G N 1.377 110.192 108.800 0.026 0.000 2.291 332 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.271 332 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.271 332 G C 0.788 175.695 174.900 0.011 0.000 1.099 332 G CA 0.119 45.229 45.100 0.016 0.000 0.919 332 G HN 0.769 nan 8.290 nan 0.000 0.496 333 V N -0.556 119.366 119.914 0.013 0.000 2.548 333 V HA 0.288 4.408 4.120 -0.000 0.000 0.249 333 V C 1.365 177.458 176.094 -0.002 0.000 1.055 333 V CA 1.958 64.263 62.300 0.008 0.000 1.065 333 V CB -0.132 31.699 31.823 0.013 0.000 0.681 333 V HN 0.468 nan 8.190 nan 0.000 0.462 334 L N 0.853 122.073 121.223 -0.004 0.000 2.325 334 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 334 L C -1.319 175.539 176.870 -0.020 0.000 1.023 334 L CA -1.474 53.357 54.840 -0.015 0.000 0.811 334 L CB 1.503 43.550 42.059 -0.020 0.000 1.249 334 L HN 0.028 nan 8.230 nan 0.000 0.431 335 P HA 0.016 nan 4.420 nan 0.000 0.218 335 P C 0.799 178.074 177.300 -0.042 0.000 1.151 335 P CA 0.461 63.545 63.100 -0.027 0.000 0.850 335 P CB 0.363 32.049 31.700 -0.023 0.000 0.801 336 R N 0.009 120.477 120.500 -0.053 0.000 3.351 336 R HA 0.371 4.711 4.340 -0.000 0.000 0.296 336 R C -0.241 175.985 176.300 -0.123 0.000 1.427 336 R CA 0.057 56.111 56.100 -0.077 0.000 1.257 336 R CB -1.039 29.223 30.300 -0.063 0.000 1.378 336 R HN 0.060 nan 8.270 nan 0.000 0.610 337 T N -2.556 111.918 114.554 -0.133 0.000 2.841 337 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 337 T C 0.604 175.190 174.700 -0.190 0.000 1.166 337 T CA -0.598 61.380 62.100 -0.204 0.000 1.007 337 T CB 0.921 69.727 68.868 -0.103 0.000 1.253 337 T HN 0.424 nan 8.240 nan 0.000 0.511 338 H N 0.838 119.905 119.070 -0.005 0.000 2.284 338 H HA 0.338 4.894 4.556 -0.000 0.000 0.304 338 H C 1.231 176.558 175.328 -0.001 0.000 1.069 338 H CA 1.090 57.136 56.048 -0.003 0.000 1.327 338 H CB 0.079 29.842 29.762 0.000 0.000 1.387 338 H HN 0.600 nan 8.280 nan 0.000 0.498 339 G N -0.702 108.174 108.800 0.127 0.000 2.638 339 G HA2 0.505 4.465 3.960 -0.000 0.000 0.302 339 G HA3 0.505 4.465 3.960 -0.000 0.000 0.302 339 G C -1.229 173.695 174.900 0.039 0.000 1.365 339 G CA -0.421 44.719 45.100 0.068 0.000 0.987 339 G HN 0.361 nan 8.290 nan 0.000 0.495 340 S N -0.556 115.162 115.700 0.029 0.000 2.536 340 S HA 0.884 5.354 4.470 -0.000 0.000 0.271 340 S C -0.650 173.971 174.600 0.034 0.000 1.134 340 S CA -0.409 57.805 58.200 0.023 0.000 0.897 340 S CB 1.927 65.134 63.200 0.011 0.000 1.094 340 S HN 2.082 nan 8.310 nan 0.000 0.473 341 A N 1.453 124.299 122.820 0.044 0.000 2.486 341 A HA 0.799 5.119 4.320 -0.000 0.000 0.300 341 A C -1.516 176.119 177.584 0.085 0.000 1.048 341 A CA -0.676 51.403 52.037 0.069 0.000 0.696 341 A CB 1.668 20.718 19.000 0.083 0.000 1.278 341 A HN 1.395 nan 8.150 nan 0.000 0.405 342 L N 2.586 123.866 121.223 0.095 0.000 2.408 342 L HA 0.618 4.958 4.340 -0.000 0.000 0.257 342 L C -1.317 175.632 176.870 0.132 0.000 1.053 342 L CA -0.387 54.509 54.840 0.093 0.000 0.922 342 L CB 0.106 42.192 42.059 0.045 0.000 1.261 342 L HN 0.598 nan 8.230 nan 0.000 0.458 343 F N 3.185 123.153 119.950 0.030 0.000 2.396 343 F HA 0.690 5.217 4.527 -0.000 0.000 0.343 343 F C 0.040 175.861 175.800 0.034 0.000 1.104 343 F CA 0.250 58.271 58.000 0.035 0.000 1.161 343 F CB 1.156 40.184 39.000 0.047 0.000 1.146 343 F HN 0.410 nan 8.300 nan 0.000 0.522 344 T N 6.650 120.769 114.554 -0.726 0.000 2.952 344 T HA 0.426 4.776 4.350 -0.000 0.000 0.305 344 T C -1.422 172.885 174.700 -0.655 0.000 1.064 344 T CA -0.778 61.025 62.100 -0.494 0.000 1.008 344 T CB 1.400 70.135 68.868 -0.223 0.000 1.078 344 T HN 0.723 nan 8.240 nan 0.000 0.459 345 R N 2.235 122.511 120.500 -0.374 0.000 2.539 345 R HA 0.576 4.916 4.340 -0.000 0.000 0.295 345 R C 0.672 176.930 176.300 -0.071 0.000 1.138 345 R CA 0.403 56.373 56.100 -0.217 0.000 0.936 345 R CB 0.368 30.616 30.300 -0.088 0.000 1.182 345 R HN 0.917 nan 8.270 nan 0.000 0.459 346 G N 3.117 111.884 108.800 -0.054 0.000 2.609 346 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.288 346 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.288 346 G C -0.376 174.515 174.900 -0.015 0.000 1.211 346 G CA 0.341 45.433 45.100 -0.014 0.000 0.963 346 G HN 0.555 nan 8.290 nan 0.000 0.541 347 E N 2.104 122.306 120.200 0.004 0.000 4.052 347 E HA 0.541 4.891 4.350 -0.000 0.000 0.219 347 E C -0.555 176.052 176.600 0.012 0.000 1.166 347 E CA 0.239 56.641 56.400 0.004 0.000 1.338 347 E CB 0.866 30.575 29.700 0.014 0.000 1.212 347 E HN 0.566 nan 8.360 nan 0.000 0.432 348 T N 1.154 115.711 114.554 0.005 0.000 2.977 348 T HA 0.435 4.785 4.350 -0.000 0.000 0.345 348 T C -1.479 173.227 174.700 0.011 0.000 1.562 348 T CA -0.966 61.152 62.100 0.029 0.000 1.090 348 T CB 2.179 71.088 68.868 0.069 0.000 1.383 348 T HN 0.284 nan 8.240 nan 0.000 0.484 349 Q N 0.395 120.218 119.800 0.040 0.000 2.616 349 Q HA 0.667 5.007 4.340 -0.000 0.000 0.254 349 Q C -2.202 173.839 176.000 0.069 0.000 0.975 349 Q CA -1.329 54.501 55.803 0.046 0.000 0.976 349 Q CB 1.135 29.875 28.738 0.002 0.000 1.594 349 Q HN 0.893 nan 8.270 nan 0.000 0.425 350 A N 2.499 125.393 122.820 0.124 0.000 2.357 350 A HA 0.593 4.913 4.320 -0.000 0.000 0.295 350 A C -1.293 176.348 177.584 0.094 0.000 1.121 350 A CA -0.667 51.427 52.037 0.096 0.000 0.742 350 A CB 1.445 20.527 19.000 0.136 0.000 1.181 350 A HN 0.686 nan 8.150 nan 0.000 0.454 351 L N 4.381 125.633 121.223 0.049 0.000 2.401 351 L HA 0.411 4.751 4.340 -0.000 0.000 0.283 351 L C -0.641 176.245 176.870 0.028 0.000 1.151 351 L CA 0.346 55.211 54.840 0.041 0.000 0.942 351 L CB 0.065 42.142 42.059 0.029 0.000 1.283 351 L HN 0.400 nan 8.230 nan 0.000 0.442 352 V N 3.552 123.492 119.914 0.044 0.000 2.427 352 V HA 0.613 4.733 4.120 -0.000 0.000 0.286 352 V C 0.409 176.504 176.094 0.000 0.000 1.034 352 V CA -0.334 61.977 62.300 0.018 0.000 0.893 352 V CB 1.454 33.311 31.823 0.057 0.000 0.982 352 V HN 0.802 nan 8.190 nan 0.000 0.452 353 T N 1.641 116.172 114.554 -0.038 0.000 2.876 353 T HA 0.851 5.201 4.350 -0.000 0.000 0.289 353 T C -0.447 174.228 174.700 -0.041 0.000 1.014 353 T CA -0.638 61.448 62.100 -0.024 0.000 0.986 353 T CB 1.979 70.836 68.868 -0.018 0.000 1.021 353 T HN 0.978 nan 8.240 nan 0.000 0.458 354 A N 2.282 125.106 122.820 0.006 0.000 2.318 354 A HA 0.764 5.084 4.320 -0.000 0.000 0.324 354 A C 0.047 177.685 177.584 0.089 0.000 1.170 354 A CA -0.808 51.243 52.037 0.023 0.000 0.810 354 A CB 0.862 19.889 19.000 0.045 0.000 1.198 354 A HN 0.894 nan 8.150 nan 0.000 0.484 355 T N 2.996 117.599 114.554 0.082 0.000 2.812 355 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 355 T C -0.332 174.395 174.700 0.045 0.000 0.990 355 T CA -0.248 61.952 62.100 0.166 0.000 0.960 355 T CB 0.825 69.771 68.868 0.130 0.000 0.948 355 T HN 0.469 nan 8.240 nan 0.000 0.438 356 L N 2.429 123.545 121.223 -0.180 0.000 2.334 356 L HA 0.814 5.154 4.340 -0.000 0.000 0.277 356 L C 0.815 177.602 176.870 -0.139 0.000 1.075 356 L CA -0.363 54.325 54.840 -0.254 0.000 0.804 356 L CB 1.207 42.936 42.059 -0.550 0.000 1.174 356 L HN 0.861 nan 8.230 nan 0.000 0.438 357 G N 0.601 109.400 108.800 -0.003 0.000 2.677 357 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 357 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 357 G C -1.041 173.936 174.900 0.129 0.000 1.435 357 G CA -0.474 44.660 45.100 0.056 0.000 0.826 357 G HN 0.406 nan 8.290 nan 0.000 0.491 358 T N 0.460 115.075 114.554 0.102 0.000 2.816 358 T HA 0.448 4.798 4.350 -0.000 0.000 0.282 358 T C 1.821 176.540 174.700 0.032 0.000 0.993 358 T CA 0.400 62.547 62.100 0.079 0.000 0.994 358 T CB 1.535 70.434 68.868 0.051 0.000 1.025 358 T HN 1.035 nan 8.240 nan 0.000 0.529 359 A N 0.386 123.196 122.820 -0.017 0.000 2.178 359 A HA -0.063 4.256 4.320 -0.000 0.000 0.218 359 A C 2.260 179.845 177.584 0.002 0.000 1.157 359 A CA 1.104 53.129 52.037 -0.018 0.000 0.689 359 A CB -0.651 18.317 19.000 -0.053 0.000 0.787 359 A HN 0.804 nan 8.150 nan 0.000 0.465 360 R N -0.169 120.335 120.500 0.007 0.000 2.148 360 R HA -0.086 4.254 4.340 -0.000 0.000 0.223 360 R C 0.185 176.499 176.300 0.023 0.000 1.088 360 R CA 1.335 57.443 56.100 0.013 0.000 0.985 360 R CB -0.036 30.272 30.300 0.014 0.000 0.880 360 R HN 0.367 nan 8.270 nan 0.000 0.451 361 D N 0.512 120.930 120.400 0.030 0.000 2.336 361 D HA 0.090 4.730 4.640 -0.000 0.000 0.228 361 D C -0.412 175.913 176.300 0.041 0.000 1.120 361 D CA 0.152 54.174 54.000 0.037 0.000 0.839 361 D CB 0.593 41.419 40.800 0.042 0.000 0.932 361 D HN 0.231 nan 8.370 nan 0.000 0.509 362 A N 0.790 123.632 122.820 0.037 0.000 2.401 362 A HA 0.138 4.457 4.320 -0.000 0.000 0.259 362 A C 0.503 178.112 177.584 0.042 0.000 1.103 362 A CA -0.313 51.748 52.037 0.041 0.000 0.789 362 A CB 0.492 19.514 19.000 0.037 0.000 1.035 362 A HN 0.115 nan 8.150 nan 0.000 0.491 363 Q N 1.971 121.799 119.800 0.047 0.000 2.293 363 Q HA 0.359 4.699 4.340 -0.000 0.000 0.263 363 Q C -1.016 175.011 176.000 0.046 0.000 1.002 363 Q CA -0.256 55.578 55.803 0.050 0.000 0.910 363 Q CB 0.514 29.287 28.738 0.059 0.000 1.185 363 Q HN 0.521 nan 8.270 nan 0.000 0.401 364 V N 7.009 126.949 119.914 0.043 0.000 2.356 364 V HA 0.131 4.251 4.120 -0.000 0.000 0.258 364 V C 0.102 176.221 176.094 0.042 0.000 1.065 364 V CA -0.217 62.106 62.300 0.039 0.000 0.935 364 V CB 0.240 32.084 31.823 0.035 0.000 1.061 364 V HN 0.718 nan 8.190 nan 0.000 0.484 365 L N 4.364 125.612 121.223 0.042 0.000 2.283 365 L HA 0.316 4.656 4.340 -0.000 0.000 0.287 365 L C 0.432 177.325 176.870 0.037 0.000 1.073 365 L CA -0.185 54.681 54.840 0.043 0.000 0.822 365 L CB 0.654 42.740 42.059 0.044 0.000 1.186 365 L HN 0.577 nan 8.230 nan 0.000 0.436 366 D N 3.541 123.963 120.400 0.037 0.000 2.558 366 D HA 0.038 4.678 4.640 -0.000 0.000 0.221 366 D C 0.339 176.656 176.300 0.028 0.000 1.143 366 D CA -0.196 53.823 54.000 0.032 0.000 1.010 366 D CB 0.374 41.194 40.800 0.033 0.000 1.068 366 D HN 0.463 nan 8.370 nan 0.000 0.511 367 E N 1.785 122.002 120.200 0.028 0.000 2.371 367 E HA 0.043 4.393 4.350 -0.000 0.000 0.257 367 E C 0.928 177.537 176.600 0.016 0.000 1.134 367 E CA -0.685 55.731 56.400 0.026 0.000 0.919 367 E CB 0.921 30.639 29.700 0.031 0.000 1.025 367 E HN 0.353 nan 8.360 nan 0.000 0.438 368 L N 3.589 124.818 121.223 0.011 0.000 2.083 368 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 368 L C 1.542 178.412 176.870 -0.000 0.000 1.083 368 L CA 1.722 56.559 54.840 -0.006 0.000 0.752 368 L CB -0.256 41.791 42.059 -0.019 0.000 0.899 368 L HN 0.705 nan 8.230 nan 0.000 0.433 369 M N -1.025 118.580 119.600 0.010 0.000 3.462 369 M HA 0.572 5.052 4.480 -0.000 0.000 0.219 369 M C 0.263 176.572 176.300 0.014 0.000 1.207 369 M CA 0.101 55.407 55.300 0.011 0.000 1.284 369 M CB -0.602 32.005 32.600 0.013 0.000 1.160 369 M HN 0.150 nan 8.290 nan 0.000 0.598 370 G N 1.491 110.299 108.800 0.014 0.000 2.692 370 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 370 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 370 G C -1.035 173.876 174.900 0.019 0.000 1.243 370 G CA -0.530 44.580 45.100 0.016 0.000 0.782 370 G HN 0.946 nan 8.290 nan 0.000 0.625 371 E N 0.974 121.185 120.200 0.019 0.000 2.313 371 E HA 0.746 5.096 4.350 -0.000 0.000 0.272 371 E C 0.155 176.769 176.600 0.024 0.000 1.038 371 E CA -0.686 55.727 56.400 0.023 0.000 0.863 371 E CB 1.470 31.184 29.700 0.022 0.000 1.060 371 E HN 0.636 nan 8.360 nan 0.000 0.402 372 R N 0.645 121.162 120.500 0.028 0.000 2.771 372 R HA 0.358 4.698 4.340 -0.000 0.000 0.274 372 R C -0.999 175.321 176.300 0.034 0.000 0.987 372 R CA -0.882 55.236 56.100 0.030 0.000 0.908 372 R CB 2.407 32.727 30.300 0.033 0.000 1.213 372 R HN 0.808 nan 8.270 nan 0.000 0.468 373 T N -1.510 113.064 114.554 0.034 0.000 2.758 373 T HA 0.246 4.596 4.350 -0.000 0.000 0.285 373 T C -0.450 174.278 174.700 0.047 0.000 0.981 373 T CA -0.881 61.241 62.100 0.037 0.000 0.965 373 T CB 1.503 70.388 68.868 0.030 0.000 0.927 373 T HN 0.304 nan 8.240 nan 0.000 0.448 374 D N 2.080 122.512 120.400 0.053 0.000 2.232 374 D HA 0.391 5.031 4.640 -0.000 0.000 0.242 374 D C 0.909 177.256 176.300 0.079 0.000 1.093 374 D CA -0.367 53.675 54.000 0.069 0.000 0.845 374 D CB 1.722 42.560 40.800 0.064 0.000 1.124 374 D HN 0.564 nan 8.370 nan 0.000 0.467 375 T N 2.802 117.424 114.554 0.112 0.000 2.904 375 T HA 0.048 4.398 4.350 -0.000 0.000 0.243 375 T C 0.566 175.380 174.700 0.190 0.000 1.024 375 T CA 0.157 62.339 62.100 0.137 0.000 1.158 375 T CB -0.188 68.768 68.868 0.146 0.000 0.867 375 T HN 0.380 nan 8.240 nan 0.000 0.429 376 F N 2.587 122.580 119.950 0.071 0.000 2.420 376 F HA 0.555 5.082 4.527 -0.000 0.000 0.352 376 F C -0.893 174.945 175.800 0.065 0.000 1.108 376 F CA -1.372 56.676 58.000 0.080 0.000 1.162 376 F CB 0.234 39.285 39.000 0.085 0.000 1.118 376 F HN -0.004 nan 8.300 nan 0.000 0.510 377 L N 7.143 127.984 121.223 -0.636 0.000 2.365 377 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 377 L C -1.317 175.096 176.870 -0.761 0.000 1.000 377 L CA -0.792 53.730 54.840 -0.530 0.000 0.819 377 L CB 2.116 44.007 42.059 -0.280 0.000 1.284 377 L HN 0.592 nan 8.230 nan 0.000 0.418 378 F N 1.784 121.313 119.950 -0.702 0.000 2.569 378 F HA 0.551 5.078 4.527 -0.000 0.000 0.312 378 F C -0.545 174.946 175.800 -0.516 0.000 1.109 378 F CA -0.394 57.311 58.000 -0.492 0.000 0.919 378 F CB 1.607 40.469 39.000 -0.230 0.000 1.211 378 F HN 0.397 nan 8.300 nan 0.000 0.446 379 H N 4.379 123.492 119.070 0.073 0.000 2.679 379 H HA 0.226 4.782 4.556 -0.000 0.000 0.360 379 H C -1.802 173.693 175.328 0.278 0.000 1.105 379 H CA -0.656 55.490 56.048 0.164 0.000 1.196 379 H CB 2.240 32.018 29.762 0.026 0.000 1.636 379 H HN 0.670 nan 8.280 nan 0.000 0.531 380 Y N 3.286 123.780 120.300 0.323 0.000 2.345 380 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 380 Y C -0.905 175.124 175.900 0.215 0.000 0.959 380 Y CA -0.670 57.597 58.100 0.278 0.000 1.204 380 Y CB 0.697 39.327 38.460 0.282 0.000 1.135 380 Y HN 0.474 nan 8.280 nan 0.000 0.477 381 N N 6.612 125.253 118.700 -0.099 0.000 2.417 381 N HA 0.220 4.960 4.740 -0.000 0.000 0.274 381 N C -1.790 173.621 175.510 -0.164 0.000 0.987 381 N CA -0.340 52.678 53.050 -0.053 0.000 0.912 381 N CB 1.396 39.855 38.487 -0.045 0.000 1.177 381 N HN 0.637 nan 8.380 nan 0.000 0.490 382 F N 4.108 123.971 119.950 -0.145 0.000 2.363 382 F HA 0.433 4.960 4.527 -0.000 0.000 0.366 382 F C -2.171 173.546 175.800 -0.139 0.000 1.083 382 F CA -1.880 56.037 58.000 -0.139 0.000 1.176 382 F CB 0.953 39.999 39.000 0.076 0.000 1.432 382 F HN 0.298 nan 8.300 nan 0.000 0.482 383 P HA 0.287 nan 4.420 nan 0.000 0.279 383 P C -2.210 174.790 177.300 -0.500 0.000 1.252 383 P CA -1.584 61.258 63.100 -0.430 0.000 0.811 383 P CB 0.509 31.811 31.700 -0.664 0.000 1.035 384 P HA -0.134 nan 4.420 nan 0.000 0.223 384 P C 1.100 178.317 177.300 -0.137 0.000 1.151 384 P CA 1.246 64.270 63.100 -0.125 0.000 0.787 384 P CB -0.330 31.365 31.700 -0.009 0.000 0.788 385 Y N -0.003 120.225 120.300 -0.120 0.000 2.583 385 Y HA 0.037 4.587 4.550 -0.000 0.000 0.293 385 Y C 2.194 178.005 175.900 -0.149 0.000 1.157 385 Y CA 0.641 58.673 58.100 -0.112 0.000 1.315 385 Y CB -1.460 36.945 38.460 -0.092 0.000 1.021 385 Y HN -0.054 nan 8.280 nan 0.000 0.536 386 S N 0.706 116.118 115.700 -0.480 0.000 2.387 386 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 386 S C 1.712 176.178 174.600 -0.222 0.000 1.026 386 S CA 1.171 59.122 58.200 -0.414 0.000 0.972 386 S CB -1.052 61.689 63.200 -0.766 0.000 0.814 386 S HN 0.493 nan 8.310 nan 0.000 0.477 387 V N -2.306 117.493 119.914 -0.192 0.000 3.471 387 V HA 0.630 4.750 4.120 -0.000 0.000 0.258 387 V C 1.470 177.514 176.094 -0.084 0.000 1.192 387 V CA 0.136 62.375 62.300 -0.103 0.000 1.116 387 V CB -0.945 30.860 31.823 -0.030 0.000 0.792 387 V HN 0.912 nan 8.190 nan 0.000 0.459 388 G N 0.115 108.884 108.800 -0.051 0.000 2.207 388 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 388 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 388 G C -0.274 174.621 174.900 -0.008 0.000 1.053 388 G CA 0.253 45.341 45.100 -0.020 0.000 0.764 388 G HN 0.652 nan 8.290 nan 0.000 0.495 389 E N -0.593 119.605 120.200 -0.003 0.000 2.370 389 E HA 0.748 5.098 4.350 -0.000 0.000 0.259 389 E C 0.014 176.626 176.600 0.020 0.000 0.947 389 E CA -0.432 55.974 56.400 0.010 0.000 0.809 389 E CB 1.550 31.259 29.700 0.015 0.000 1.300 389 E HN 0.372 nan 8.360 nan 0.000 0.419 390 T N -1.538 113.029 114.554 0.021 0.000 2.807 390 T HA 0.787 5.137 4.350 -0.000 0.000 0.279 390 T C -0.044 174.671 174.700 0.024 0.000 0.993 390 T CA -0.799 61.316 62.100 0.024 0.000 0.970 390 T CB 1.550 70.430 68.868 0.020 0.000 0.950 390 T HN 0.603 nan 8.240 nan 0.000 0.441 391 G N 2.025 110.842 108.800 0.027 0.000 2.646 391 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 391 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 391 G C -0.902 174.015 174.900 0.028 0.000 1.445 391 G CA -1.218 43.898 45.100 0.027 0.000 0.814 391 G HN 0.818 nan 8.290 nan 0.000 0.495 392 M N 0.064 119.680 119.600 0.026 0.000 2.226 392 M HA 0.404 4.884 4.480 -0.000 0.000 0.324 392 M C -0.328 175.990 176.300 0.030 0.000 1.112 392 M CA -0.137 55.178 55.300 0.025 0.000 1.176 392 M CB 1.392 34.004 32.600 0.021 0.000 1.430 392 M HN 0.108 nan 8.290 nan 0.000 0.462 393 V N 2.177 122.109 119.914 0.028 0.000 2.385 393 V HA 0.586 4.706 4.120 -0.000 0.000 0.277 393 V C 0.259 176.368 176.094 0.025 0.000 1.012 393 V CA -0.246 62.073 62.300 0.031 0.000 0.832 393 V CB 0.684 32.528 31.823 0.035 0.000 1.028 393 V HN 1.134 nan 8.190 nan 0.000 0.436 394 G N 2.550 111.366 108.800 0.027 0.000 3.420 394 G HA2 0.356 4.316 3.960 -0.000 0.000 0.183 394 G HA3 0.356 4.316 3.960 -0.000 0.000 0.183 394 G C -0.019 174.895 174.900 0.024 0.000 1.315 394 G CA -0.206 44.906 45.100 0.021 0.000 0.958 394 G HN 0.465 nan 8.290 nan 0.000 0.745 395 S N 2.544 118.258 115.700 0.024 0.000 2.563 395 S HA 0.356 4.826 4.470 -0.000 0.000 0.284 395 S C -2.166 172.459 174.600 0.043 0.000 1.331 395 S CA -0.307 57.910 58.200 0.028 0.000 1.047 395 S CB 0.856 64.070 63.200 0.024 0.000 0.859 395 S HN 0.435 nan 8.310 nan 0.000 0.514 396 P HA 0.198 nan 4.420 nan 0.000 0.276 396 P C -0.380 176.962 177.300 0.071 0.000 1.264 396 P CA -0.273 62.875 63.100 0.080 0.000 0.769 396 P CB 0.385 32.143 31.700 0.096 0.000 0.840 397 K N 2.346 122.791 120.400 0.074 0.000 2.229 397 K HA 0.046 4.366 4.320 -0.000 0.000 0.250 397 K C 1.744 178.362 176.600 0.030 0.000 1.016 397 K CA -0.158 56.157 56.287 0.047 0.000 0.866 397 K CB 0.514 33.041 32.500 0.046 0.000 1.028 397 K HN 0.318 nan 8.250 nan 0.000 0.514 398 R N 0.840 121.340 120.500 0.001 0.000 2.120 398 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 398 R C 2.329 178.581 176.300 -0.081 0.000 1.123 398 R CA 1.403 57.486 56.100 -0.028 0.000 0.975 398 R CB -0.104 30.176 30.300 -0.032 0.000 0.866 398 R HN 0.448 nan 8.270 nan 0.000 0.446 399 R N 1.098 121.544 120.500 -0.091 0.000 2.092 399 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 399 R C 1.540 177.731 176.300 -0.182 0.000 1.119 399 R CA 1.402 57.385 56.100 -0.196 0.000 0.970 399 R CB 0.133 30.351 30.300 -0.136 0.000 0.864 399 R HN 0.271 nan 8.270 nan 0.000 0.440 400 E N 0.019 120.236 120.200 0.028 0.000 2.152 400 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 400 E C 1.890 178.563 176.600 0.120 0.000 0.983 400 E CA 1.183 57.715 56.400 0.221 0.000 0.818 400 E CB 0.022 29.910 29.700 0.314 0.000 0.758 400 E HN 0.419 nan 8.360 nan 0.000 0.467 401 I N 0.587 121.177 120.570 0.034 0.000 2.353 401 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 401 I C 2.538 178.612 176.117 -0.072 0.000 1.119 401 I CA 0.992 62.306 61.300 0.022 0.000 1.417 401 I CB -0.412 37.601 38.000 0.022 0.000 1.078 401 I HN 0.109 nan 8.210 nan 0.000 0.421 402 G N 0.044 108.731 108.800 -0.189 0.000 2.418 402 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 402 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 402 G C 1.368 176.068 174.900 -0.332 0.000 1.158 402 G CA 0.768 45.697 45.100 -0.284 0.000 0.771 402 G HN 0.474 nan 8.290 nan 0.000 0.545 403 H N -0.369 118.492 119.070 -0.348 0.000 2.548 403 H HA 0.166 4.722 4.556 -0.000 0.000 0.268 403 H C 2.681 177.744 175.328 -0.443 0.000 0.975 403 H CA 0.093 55.795 56.048 -0.576 0.000 1.195 403 H CB 0.411 29.452 29.762 -1.201 0.000 1.397 403 H HN 0.387 nan 8.280 nan 0.000 0.572 404 G N 0.790 109.534 108.800 -0.093 0.000 2.394 404 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 404 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 404 G C 1.744 176.647 174.900 0.003 0.000 1.176 404 G CA 0.274 45.448 45.100 0.124 0.000 0.786 404 G HN 0.196 nan 8.290 nan 0.000 0.533 405 R N 0.119 120.594 120.500 -0.041 0.000 2.148 405 R HA 0.237 4.577 4.340 -0.000 0.000 0.223 405 R C 2.352 178.582 176.300 -0.117 0.000 1.088 405 R CA 0.587 56.651 56.100 -0.060 0.000 0.985 405 R CB -0.720 29.555 30.300 -0.041 0.000 0.880 405 R HN 0.386 nan 8.270 nan 0.000 0.451 406 L N -0.395 120.747 121.223 -0.135 0.000 1.989 406 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 406 L C 1.979 178.725 176.870 -0.207 0.000 1.071 406 L CA 1.958 56.712 54.840 -0.142 0.000 0.749 406 L CB -0.460 41.536 42.059 -0.104 0.000 0.890 406 L HN 0.355 nan 8.230 nan 0.000 0.431 407 A N -0.962 121.665 122.820 -0.322 0.000 2.066 407 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 407 A C 2.301 179.448 177.584 -0.728 0.000 1.157 407 A CA 1.448 53.160 52.037 -0.541 0.000 0.670 407 A CB -0.374 18.206 19.000 -0.701 0.000 0.804 407 A HN 0.446 nan 8.150 nan 0.000 0.453 408 K N -0.121 119.935 120.400 -0.574 0.000 2.097 408 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 408 K C 2.126 178.706 176.600 -0.033 0.000 1.050 408 K CA 1.171 57.379 56.287 -0.133 0.000 0.938 408 K CB -0.134 32.397 32.500 0.052 0.000 0.718 408 K HN 0.426 nan 8.250 nan 0.000 0.442 409 R N -0.717 119.724 120.500 -0.099 0.000 2.148 409 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 409 R C 2.197 178.431 176.300 -0.110 0.000 1.088 409 R CA 1.081 57.130 56.100 -0.084 0.000 0.985 409 R CB -0.140 30.112 30.300 -0.081 0.000 0.880 409 R HN 0.277 nan 8.270 nan 0.000 0.451 410 G N -0.325 108.391 108.800 -0.141 0.000 2.650 410 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.214 410 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.214 410 G C 1.117 175.943 174.900 -0.123 0.000 1.136 410 G CA 0.226 45.248 45.100 -0.130 0.000 0.789 410 G HN 0.130 nan 8.290 nan 0.000 0.536 411 V N -0.409 119.422 119.914 -0.139 0.000 3.484 411 V HA 0.167 4.287 4.120 -0.000 0.000 0.252 411 V C 2.198 178.091 176.094 -0.335 0.000 1.282 411 V CA 0.068 62.264 62.300 -0.174 0.000 1.104 411 V CB 0.450 32.252 31.823 -0.036 0.000 0.868 411 V HN 0.261 nan 8.190 nan 0.000 0.457 412 L N 1.690 122.718 121.223 -0.326 0.000 2.079 412 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 412 L C 2.399 179.140 176.870 -0.215 0.000 1.081 412 L CA 2.432 57.072 54.840 -0.333 0.000 0.752 412 L CB -0.519 41.450 42.059 -0.150 0.000 0.896 412 L HN 0.276 nan 8.230 nan 0.000 0.433 413 A N -1.846 120.882 122.820 -0.154 0.000 2.066 413 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 413 A C 2.046 179.563 177.584 -0.112 0.000 1.157 413 A CA 1.550 53.522 52.037 -0.109 0.000 0.670 413 A CB -0.531 18.417 19.000 -0.087 0.000 0.804 413 A HN 0.308 nan 8.150 nan 0.000 0.453 414 V N -0.514 119.316 119.914 -0.141 0.000 2.949 414 V HA 0.050 4.170 4.120 -0.000 0.000 0.245 414 V C 1.073 177.081 176.094 -0.143 0.000 1.086 414 V CA 0.145 62.372 62.300 -0.123 0.000 1.097 414 V CB -0.654 31.102 31.823 -0.111 0.000 0.762 414 V HN 0.428 nan 8.190 nan 0.000 0.470 415 M N 2.659 122.130 119.600 -0.215 0.000 2.251 415 M HA 0.154 4.633 4.480 -0.000 0.000 0.343 415 M C -2.156 174.072 176.300 -0.120 0.000 1.245 415 M CA -1.591 53.576 55.300 -0.221 0.000 1.061 415 M CB -0.246 32.114 32.600 -0.401 0.000 1.723 415 M HN 0.095 nan 8.290 nan 0.000 0.449 416 P HA 0.097 nan 4.420 nan 0.000 0.271 416 P C -0.836 176.492 177.300 0.047 0.000 1.218 416 P CA -0.382 62.708 63.100 -0.017 0.000 0.780 416 P CB 0.275 31.960 31.700 -0.025 0.000 0.901 417 D N 2.010 122.440 120.400 0.050 0.000 2.371 417 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 417 D C 1.417 177.776 176.300 0.097 0.000 1.218 417 D CA -0.407 53.629 54.000 0.059 0.000 0.945 417 D CB 0.329 41.149 40.800 0.033 0.000 1.137 417 D HN 0.122 nan 8.370 nan 0.000 0.464 418 M N 0.241 119.883 119.600 0.070 0.000 2.279 418 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 418 M C 0.739 177.052 176.300 0.021 0.000 1.062 418 M CA 1.213 56.541 55.300 0.047 0.000 1.099 418 M CB -0.631 31.980 32.600 0.018 0.000 1.394 418 M HN 0.440 nan 8.290 nan 0.000 0.426 419 D N -0.152 120.264 120.400 0.028 0.000 2.117 419 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 419 D C 2.004 178.323 176.300 0.032 0.000 0.987 419 D CA 1.217 55.227 54.000 0.016 0.000 0.829 419 D CB -0.061 40.749 40.800 0.017 0.000 0.961 419 D HN 0.360 nan 8.370 nan 0.000 0.460 420 K N -1.391 119.053 120.400 0.074 0.000 2.202 420 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 420 K C -0.161 176.561 176.600 0.203 0.000 1.051 420 K CA 0.078 56.433 56.287 0.112 0.000 0.977 420 K CB 0.406 32.971 32.500 0.110 0.000 0.792 420 K HN -0.038 nan 8.250 nan 0.000 0.469 421 F N 2.786 122.758 119.950 0.037 0.000 2.532 421 F HA 0.345 4.872 4.527 -0.000 0.000 0.365 421 F C -2.478 173.343 175.800 0.034 0.000 1.112 421 F CA -2.725 55.329 58.000 0.089 0.000 1.082 421 F CB 1.782 40.852 39.000 0.117 0.000 1.319 421 F HN -0.094 nan 8.300 nan 0.000 0.457 422 P HA 0.194 nan 4.420 nan 0.000 0.208 422 P C -1.671 175.114 177.300 -0.858 0.000 1.837 422 P CA 0.099 62.898 63.100 -0.501 0.000 0.953 422 P CB -0.495 30.915 31.700 -0.483 0.000 1.870 423 Y N -0.762 119.304 120.300 -0.390 0.000 2.457 423 Y HA 0.341 4.891 4.550 -0.000 0.000 0.343 423 Y C 0.906 176.804 175.900 -0.004 0.000 0.994 423 Y CA -0.902 57.031 58.100 -0.278 0.000 1.031 423 Y CB 1.681 39.832 38.460 -0.516 0.000 1.246 423 Y HN -0.138 nan 8.280 nan 0.000 0.449 424 T N 0.164 114.816 114.554 0.163 0.000 2.814 424 T HA 0.549 4.899 4.350 -0.000 0.000 0.297 424 T C -0.440 174.365 174.700 0.174 0.000 0.956 424 T CA -0.593 61.601 62.100 0.156 0.000 1.123 424 T CB 0.324 69.248 68.868 0.093 0.000 0.902 424 T HN 0.333 nan 8.240 nan 0.000 0.528 425 V N 4.312 124.347 119.914 0.201 0.000 2.417 425 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 425 V C 0.327 176.411 176.094 -0.017 0.000 1.024 425 V CA -1.016 61.379 62.300 0.158 0.000 0.861 425 V CB 1.351 33.349 31.823 0.292 0.000 0.985 425 V HN 0.952 nan 8.190 nan 0.000 0.436 426 R N 3.606 124.077 120.500 -0.049 0.000 2.310 426 R HA 0.705 5.045 4.340 -0.000 0.000 0.324 426 R C -1.630 174.559 176.300 -0.184 0.000 0.955 426 R CA -0.381 55.635 56.100 -0.140 0.000 0.830 426 R CB 1.694 31.980 30.300 -0.023 0.000 1.154 426 R HN 0.576 nan 8.270 nan 0.000 0.458 427 V N 5.514 125.189 119.914 -0.398 0.000 2.384 427 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 427 V C -0.382 175.354 176.094 -0.596 0.000 1.020 427 V CA -0.774 61.222 62.300 -0.506 0.000 0.850 427 V CB 1.647 33.049 31.823 -0.702 0.000 0.987 427 V HN 0.477 nan 8.190 nan 0.000 0.436 428 V N 3.566 123.286 119.914 -0.325 0.000 2.448 428 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 428 V C 0.165 176.165 176.094 -0.157 0.000 1.025 428 V CA -0.296 61.896 62.300 -0.180 0.000 0.859 428 V CB 1.842 33.633 31.823 -0.052 0.000 0.988 428 V HN 0.840 nan 8.190 nan 0.000 0.431 429 S N 3.634 119.277 115.700 -0.095 0.000 2.437 429 S HA 0.514 4.984 4.470 -0.000 0.000 0.305 429 S C -0.563 174.002 174.600 -0.059 0.000 1.109 429 S CA -0.621 57.566 58.200 -0.021 0.000 1.099 429 S CB 0.810 64.087 63.200 0.128 0.000 1.004 429 S HN 0.715 nan 8.310 nan 0.000 0.475 430 E N 4.259 124.428 120.200 -0.052 0.000 2.149 430 E HA 0.293 4.643 4.350 -0.000 0.000 0.255 430 E C -0.821 175.722 176.600 -0.095 0.000 0.888 430 E CA -0.529 55.827 56.400 -0.074 0.000 0.742 430 E CB 0.964 30.655 29.700 -0.015 0.000 1.164 430 E HN 0.562 nan 8.360 nan 0.000 0.422 431 I N 2.463 122.908 120.570 -0.209 0.000 2.505 431 I HA -0.063 4.107 4.170 -0.000 0.000 0.287 431 I C 1.817 177.774 176.117 -0.267 0.000 1.104 431 I CA 0.562 61.727 61.300 -0.225 0.000 1.387 431 I CB 0.658 38.475 38.000 -0.305 0.000 1.404 431 I HN 0.408 nan 8.210 nan 0.000 0.528 432 T N 1.556 116.047 114.554 -0.105 0.000 3.034 432 T HA 0.293 4.643 4.350 -0.000 0.000 0.248 432 T C 0.555 175.238 174.700 -0.028 0.000 1.040 432 T CA 0.034 62.150 62.100 0.027 0.000 1.107 432 T CB 0.075 69.004 68.868 0.102 0.000 0.932 432 T HN 0.507 nan 8.240 nan 0.000 0.474 433 E N 0.430 120.589 120.200 -0.068 0.000 2.314 433 E HA 0.633 4.983 4.350 -0.000 0.000 0.272 433 E C -1.672 174.890 176.600 -0.064 0.000 0.884 433 E CA -0.688 55.672 56.400 -0.066 0.000 0.753 433 E CB 2.379 32.066 29.700 -0.023 0.000 1.213 433 E HN 0.100 nan 8.360 nan 0.000 0.432 434 S N 1.427 117.094 115.700 -0.056 0.000 2.677 434 S HA 0.399 4.869 4.470 -0.000 0.000 0.283 434 S C -0.625 174.014 174.600 0.065 0.000 1.159 434 S CA -0.348 57.877 58.200 0.042 0.000 1.001 434 S CB 0.895 64.168 63.200 0.122 0.000 1.032 434 S HN 0.637 nan 8.310 nan 0.000 0.487 435 N N 3.491 122.243 118.700 0.087 0.000 2.690 435 N HA 0.284 5.024 4.740 -0.000 0.000 0.262 435 N C 1.273 176.854 175.510 0.118 0.000 0.936 435 N CA 1.094 54.194 53.050 0.083 0.000 0.990 435 N CB -0.304 38.214 38.487 0.052 0.000 1.677 435 N HN 0.588 nan 8.380 nan 0.000 0.826 436 G N -0.414 108.450 108.800 0.105 0.000 2.726 436 G HA2 0.245 4.205 3.960 -0.000 0.000 0.221 436 G HA3 0.245 4.205 3.960 -0.000 0.000 0.221 436 G C -0.318 174.635 174.900 0.090 0.000 1.327 436 G CA 0.339 45.500 45.100 0.102 0.000 0.884 436 G HN 0.300 nan 8.290 nan 0.000 0.581 437 S N -0.819 114.935 115.700 0.091 0.000 2.594 437 S HA 0.501 4.971 4.470 -0.000 0.000 0.296 437 S C 0.626 175.294 174.600 0.114 0.000 1.124 437 S CA 0.120 58.364 58.200 0.073 0.000 1.011 437 S CB 1.754 64.991 63.200 0.061 0.000 1.016 437 S HN 0.475 nan 8.310 nan 0.000 0.485 438 S N 2.835 118.607 115.700 0.119 0.000 2.524 438 S HA 0.099 4.569 4.470 -0.000 0.000 0.222 438 S C 1.480 176.238 174.600 0.263 0.000 1.040 438 S CA 0.104 58.432 58.200 0.214 0.000 0.915 438 S CB -0.033 63.367 63.200 0.333 0.000 0.831 438 S HN 0.504 nan 8.310 nan 0.000 0.492 439 S N 2.529 118.298 115.700 0.115 0.000 2.371 439 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 439 S C 1.804 176.441 174.600 0.062 0.000 1.029 439 S CA 0.944 59.188 58.200 0.074 0.000 0.978 439 S CB -0.309 62.766 63.200 -0.208 0.000 0.833 439 S HN 0.325 nan 8.310 nan 0.000 0.466 440 M N 1.291 120.909 119.600 0.029 0.000 2.394 440 M HA 0.188 4.668 4.480 -0.000 0.000 0.264 440 M C 2.285 178.601 176.300 0.027 0.000 1.073 440 M CA 0.615 55.921 55.300 0.010 0.000 1.111 440 M CB -1.505 31.101 32.600 0.008 0.000 1.401 440 M HN 0.371 nan 8.290 nan 0.000 0.448 441 A N -0.373 122.521 122.820 0.123 0.000 2.014 441 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 441 A C 2.421 180.079 177.584 0.123 0.000 1.163 441 A CA 1.619 53.777 52.037 0.201 0.000 0.652 441 A CB -0.500 18.693 19.000 0.322 0.000 0.808 441 A HN 0.446 nan 8.150 nan 0.000 0.449 442 S N -0.456 115.345 115.700 0.169 0.000 2.436 442 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 442 S C 1.806 176.526 174.600 0.199 0.000 1.014 442 S CA 1.152 59.500 58.200 0.246 0.000 0.950 442 S CB -0.194 63.254 63.200 0.413 0.000 0.784 442 S HN 0.352 nan 8.310 nan 0.000 0.504 443 V N 1.061 121.003 119.914 0.046 0.000 2.358 443 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 443 V C 2.398 178.435 176.094 -0.094 0.000 1.047 443 V CA 1.412 63.697 62.300 -0.025 0.000 1.035 443 V CB -0.908 30.866 31.823 -0.082 0.000 0.658 443 V HN 0.567 nan 8.190 nan 0.000 0.452 444 C N 0.928 120.063 119.300 -0.275 0.000 2.440 444 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 444 C C 2.896 177.655 174.990 -0.385 0.000 1.295 444 C CA 0.701 59.395 59.018 -0.540 0.000 1.738 444 C CB -1.648 25.247 27.740 -1.408 0.000 1.987 444 C HN 0.667 nan 8.230 nan 0.000 0.492 445 G N 0.185 108.853 108.800 -0.220 0.000 2.448 445 G HA2 0.091 4.051 3.960 -0.000 0.000 0.218 445 G HA3 0.091 4.051 3.960 -0.000 0.000 0.218 445 G C 1.809 176.746 174.900 0.061 0.000 1.135 445 G CA 0.917 46.020 45.100 0.006 0.000 0.784 445 G HN 0.596 nan 8.290 nan 0.000 0.543 446 A N 0.677 123.567 122.820 0.116 0.000 1.873 446 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 446 A C 2.599 180.250 177.584 0.111 0.000 1.186 446 A CA 2.136 54.286 52.037 0.187 0.000 0.616 446 A CB -0.807 18.454 19.000 0.435 0.000 0.823 446 A HN 0.374 nan 8.150 nan 0.000 0.442 447 S N -0.592 115.139 115.700 0.053 0.000 2.399 447 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 447 S C 1.829 176.435 174.600 0.010 0.000 1.022 447 S CA 1.390 59.598 58.200 0.014 0.000 0.983 447 S CB -0.467 62.718 63.200 -0.025 0.000 0.803 447 S HN 0.470 nan 8.310 nan 0.000 0.480 448 L N 0.568 121.799 121.223 0.014 0.000 2.240 448 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 448 L C 2.762 179.654 176.870 0.036 0.000 1.106 448 L CA 0.956 55.813 54.840 0.029 0.000 0.793 448 L CB -0.461 41.629 42.059 0.053 0.000 0.927 448 L HN 0.353 nan 8.230 nan 0.000 0.446 449 A N -0.067 122.778 122.820 0.042 0.000 1.935 449 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 449 A C 2.216 179.822 177.584 0.037 0.000 1.178 449 A CA 0.803 52.864 52.037 0.040 0.000 0.640 449 A CB -0.405 18.618 19.000 0.037 0.000 0.825 449 A HN 0.290 nan 8.150 nan 0.000 0.447 450 L N -0.977 120.269 121.223 0.039 0.000 2.056 450 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 450 L C 2.728 179.589 176.870 -0.015 0.000 1.078 450 L CA 1.415 56.269 54.840 0.023 0.000 0.749 450 L CB -0.393 41.685 42.059 0.032 0.000 0.901 450 L HN 0.382 nan 8.230 nan 0.000 0.433 451 M N -0.997 118.595 119.600 -0.013 0.000 2.394 451 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 451 M C 1.584 177.879 176.300 -0.007 0.000 1.073 451 M CA 1.187 56.473 55.300 -0.023 0.000 1.111 451 M CB -0.365 32.224 32.600 -0.018 0.000 1.401 451 M HN 0.149 nan 8.290 nan 0.000 0.448 452 D N 0.616 121.022 120.400 0.010 0.000 2.183 452 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 452 D C 1.884 178.202 176.300 0.029 0.000 0.969 452 D CA 1.325 55.337 54.000 0.020 0.000 0.842 452 D CB 0.258 41.075 40.800 0.028 0.000 0.957 452 D HN 0.251 nan 8.370 nan 0.000 0.484 453 A N -0.712 122.127 122.820 0.033 0.000 1.968 453 A HA 0.363 4.683 4.320 -0.000 0.000 0.217 453 A C 1.962 179.559 177.584 0.022 0.000 1.169 453 A CA 1.522 53.592 52.037 0.054 0.000 0.638 453 A CB -0.310 18.725 19.000 0.059 0.000 0.812 453 A HN 0.482 nan 8.150 nan 0.000 0.446 454 G N -2.423 106.367 108.800 -0.016 0.000 2.183 454 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.168 454 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.168 454 G C 0.010 174.829 174.900 -0.135 0.000 1.008 454 G CA -0.106 44.974 45.100 -0.035 0.000 0.677 454 G HN 0.723 nan 8.290 nan 0.000 0.498 455 V N 2.515 122.300 119.914 -0.216 0.000 2.446 455 V HA 0.375 4.495 4.120 -0.000 0.000 0.276 455 V C -1.466 174.415 176.094 -0.355 0.000 1.030 455 V CA -0.742 61.265 62.300 -0.488 0.000 1.033 455 V CB 1.080 32.699 31.823 -0.340 0.000 0.993 455 V HN 0.221 nan 8.190 nan 0.000 0.477 456 P HA 0.298 nan 4.420 nan 0.000 0.241 456 P C -0.056 177.139 177.300 -0.175 0.000 1.780 456 P CA -0.268 62.705 63.100 -0.212 0.000 1.111 456 P CB -0.117 31.496 31.700 -0.144 0.000 1.852 457 I N -1.493 118.990 120.570 -0.146 0.000 2.823 457 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 457 I C 1.351 177.421 176.117 -0.078 0.000 1.091 457 I CA -0.614 60.619 61.300 -0.112 0.000 1.365 457 I CB 0.875 38.816 38.000 -0.100 0.000 1.427 457 I HN -0.046 nan 8.210 nan 0.000 0.583 458 K N 2.788 123.147 120.400 -0.068 0.000 2.002 458 K HA 0.087 4.407 4.320 -0.000 0.000 0.209 458 K C 0.621 177.195 176.600 -0.043 0.000 1.048 458 K CA 1.744 58.001 56.287 -0.050 0.000 0.930 458 K CB -0.182 32.290 32.500 -0.048 0.000 0.714 458 K HN 0.858 nan 8.250 nan 0.000 0.438 459 A N -0.301 122.491 122.820 -0.046 0.000 2.588 459 A HA 0.667 4.987 4.320 -0.000 0.000 0.290 459 A C -1.576 175.983 177.584 -0.041 0.000 1.136 459 A CA -0.606 51.408 52.037 -0.038 0.000 0.681 459 A CB 1.000 19.981 19.000 -0.033 0.000 1.282 459 A HN 0.156 nan 8.150 nan 0.000 0.421 460 A N -0.472 122.328 122.820 -0.033 0.000 2.445 460 A HA 0.539 4.859 4.320 -0.000 0.000 0.242 460 A C -0.108 177.452 177.584 -0.041 0.000 1.075 460 A CA 0.188 52.204 52.037 -0.034 0.000 0.777 460 A CB 0.276 19.260 19.000 -0.026 0.000 1.013 460 A HN 2.081 nan 8.150 nan 0.000 0.493 461 V N 1.673 121.556 119.914 -0.050 0.000 2.577 461 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 461 V C -0.017 176.029 176.094 -0.080 0.000 1.042 461 V CA 0.323 62.588 62.300 -0.059 0.000 0.872 461 V CB 1.330 33.115 31.823 -0.062 0.000 0.998 461 V HN 1.648 nan 8.190 nan 0.000 0.423 462 A N 4.390 127.165 122.820 -0.074 0.000 2.479 462 A HA 1.051 5.371 4.320 -0.000 0.000 0.296 462 A C -0.123 177.420 177.584 -0.068 0.000 1.121 462 A CA -0.210 51.769 52.037 -0.096 0.000 0.743 462 A CB 2.086 21.047 19.000 -0.063 0.000 1.323 462 A HN 1.689 nan 8.150 nan 0.000 0.415 463 G N -0.621 108.139 108.800 -0.068 0.000 2.659 463 G HA2 0.616 4.576 3.960 -0.000 0.000 0.296 463 G HA3 0.616 4.576 3.960 -0.000 0.000 0.296 463 G C -1.339 173.567 174.900 0.010 0.000 1.369 463 G CA -0.340 44.738 45.100 -0.037 0.000 0.937 463 G HN 1.014 nan 8.290 nan 0.000 0.485 464 I N -0.120 120.461 120.570 0.018 0.000 3.145 464 I HA 0.844 5.014 4.170 -0.000 0.000 0.313 464 I C -0.500 175.640 176.117 0.039 0.000 1.122 464 I CA -1.342 59.988 61.300 0.051 0.000 0.987 464 I CB 2.323 40.365 38.000 0.070 0.000 1.236 464 I HN 0.743 nan 8.210 nan 0.000 0.453 465 A N 5.746 128.602 122.820 0.061 0.000 2.350 465 A HA 0.853 5.173 4.320 -0.000 0.000 0.324 465 A C -1.011 176.632 177.584 0.098 0.000 1.118 465 A CA -0.625 51.450 52.037 0.063 0.000 0.783 465 A CB 1.557 20.589 19.000 0.054 0.000 1.236 465 A HN 0.585 nan 8.150 nan 0.000 0.457 466 M N 1.574 121.259 119.600 0.142 0.000 2.393 466 M HA 0.547 5.027 4.480 -0.000 0.000 0.299 466 M C 0.093 176.474 176.300 0.135 0.000 1.103 466 M CA -0.308 55.087 55.300 0.160 0.000 0.910 466 M CB 1.689 34.442 32.600 0.256 0.000 1.659 466 M HN 0.943 nan 8.290 nan 0.000 0.445 467 G N 1.665 110.512 108.800 0.079 0.000 2.569 467 G HA2 0.836 4.796 3.960 -0.000 0.000 0.300 467 G HA3 0.836 4.796 3.960 -0.000 0.000 0.300 467 G C -2.275 172.640 174.900 0.024 0.000 1.269 467 G CA -0.475 44.658 45.100 0.055 0.000 0.959 467 G HN 0.574 nan 8.290 nan 0.000 0.478 468 L N 0.221 121.453 121.223 0.014 0.000 2.422 468 L HA 0.755 5.095 4.340 -0.000 0.000 0.264 468 L C -1.052 175.830 176.870 0.019 0.000 0.984 468 L CA -0.704 54.139 54.840 0.005 0.000 0.819 468 L CB 2.557 44.592 42.059 -0.039 0.000 1.330 468 L HN 0.349 nan 8.230 nan 0.000 0.410 469 V N 4.351 124.287 119.914 0.035 0.000 2.350 469 V HA 0.540 4.660 4.120 -0.000 0.000 0.285 469 V C -0.441 175.682 176.094 0.048 0.000 1.014 469 V CA -0.638 61.681 62.300 0.031 0.000 0.831 469 V CB 1.367 33.203 31.823 0.021 0.000 1.000 469 V HN 0.712 nan 8.190 nan 0.000 0.433 470 K N 3.039 123.459 120.400 0.035 0.000 2.397 470 K HA 0.556 4.876 4.320 -0.000 0.000 0.253 470 K C 0.074 176.689 176.600 0.024 0.000 0.932 470 K CA -0.427 55.886 56.287 0.045 0.000 0.795 470 K CB 2.555 35.076 32.500 0.036 0.000 1.159 470 K HN 0.645 nan 8.250 nan 0.000 0.424 471 E N 2.145 122.359 120.200 0.023 0.000 2.476 471 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 471 E C 0.821 177.427 176.600 0.010 0.000 0.966 471 E CA 1.077 57.483 56.400 0.010 0.000 1.114 471 E CB 0.366 30.068 29.700 0.003 0.000 1.151 471 E HN 0.701 nan 8.360 nan 0.000 0.487 472 G N 0.055 108.862 108.800 0.013 0.000 2.601 472 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 472 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 472 G C 0.620 175.534 174.900 0.023 0.000 2.067 472 G CA 0.691 45.797 45.100 0.011 0.000 0.774 472 G HN 0.330 nan 8.290 nan 0.000 0.729 473 D N 0.013 120.430 120.400 0.028 0.000 2.455 473 D HA 0.042 4.682 4.640 -0.000 0.000 0.228 473 D C 0.673 177.033 176.300 0.101 0.000 1.070 473 D CA -0.121 53.911 54.000 0.053 0.000 0.881 473 D CB -0.774 40.046 40.800 0.034 0.000 1.087 473 D HN 0.349 nan 8.370 nan 0.000 0.498 474 N N 0.733 119.453 118.700 0.034 0.000 2.467 474 N HA 0.267 5.007 4.740 -0.000 0.000 0.262 474 N C -0.516 175.016 175.510 0.036 0.000 1.234 474 N CA -0.309 52.710 53.050 -0.051 0.000 0.952 474 N CB 0.246 38.663 38.487 -0.116 0.000 1.158 474 N HN 0.371 nan 8.380 nan 0.000 0.463 475 Y N -3.891 116.391 120.300 -0.030 0.000 2.597 475 Y HA 0.737 5.287 4.550 -0.000 0.000 0.340 475 Y C -1.663 174.218 175.900 -0.031 0.000 1.097 475 Y CA -1.528 56.552 58.100 -0.033 0.000 1.037 475 Y CB 0.985 39.419 38.460 -0.044 0.000 1.305 475 Y HN 0.267 nan 8.280 nan 0.000 0.463 476 V N 2.677 122.687 119.914 0.161 0.000 2.525 476 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 476 V C -0.719 175.445 176.094 0.116 0.000 1.034 476 V CA -0.882 61.475 62.300 0.095 0.000 0.863 476 V CB 1.557 33.396 31.823 0.027 0.000 0.999 476 V HN 0.747 nan 8.190 nan 0.000 0.423 477 V N 6.278 126.261 119.914 0.115 0.000 2.465 477 V HA 0.500 4.620 4.120 -0.000 0.000 0.279 477 V C -0.293 175.825 176.094 0.041 0.000 1.045 477 V CA -0.448 61.889 62.300 0.061 0.000 0.938 477 V CB 1.416 33.265 31.823 0.043 0.000 0.986 477 V HN 0.610 nan 8.190 nan 0.000 0.467 478 L N 3.749 124.993 121.223 0.035 0.000 2.346 478 L HA 0.541 4.881 4.340 -0.000 0.000 0.276 478 L C 0.267 177.164 176.870 0.044 0.000 1.006 478 L CA 0.269 55.132 54.840 0.038 0.000 0.817 478 L CB 2.130 44.214 42.059 0.040 0.000 1.272 478 L HN 0.606 nan 8.230 nan 0.000 0.421 479 S N 1.079 116.803 115.700 0.039 0.000 2.508 479 S HA 0.303 4.773 4.470 -0.000 0.000 0.284 479 S C -0.517 174.111 174.600 0.047 0.000 1.192 479 S CA -0.406 57.820 58.200 0.044 0.000 1.070 479 S CB 0.857 64.073 63.200 0.028 0.000 1.004 479 S HN 0.723 nan 8.310 nan 0.000 0.493 480 D N 1.806 122.242 120.400 0.060 0.000 3.082 480 D HA -0.175 4.465 4.640 -0.000 0.000 0.234 480 D C -0.055 176.284 176.300 0.066 0.000 1.159 480 D CA 0.435 54.474 54.000 0.065 0.000 0.875 480 D CB -1.268 39.569 40.800 0.062 0.000 0.946 480 D HN 0.587 nan 8.370 nan 0.000 0.411 481 I N -1.794 118.818 120.570 0.070 0.000 2.779 481 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 481 I C 0.765 176.935 176.117 0.088 0.000 1.134 481 I CA -1.019 60.326 61.300 0.075 0.000 1.398 481 I CB 0.438 38.481 38.000 0.072 0.000 1.404 481 I HN -0.048 nan 8.210 nan 0.000 0.587 482 L N 3.942 125.227 121.223 0.103 0.000 2.567 482 L HA 0.326 4.666 4.340 -0.000 0.000 0.238 482 L C 1.786 178.753 176.870 0.161 0.000 1.168 482 L CA 0.167 55.084 54.840 0.128 0.000 0.817 482 L CB 0.000 42.145 42.059 0.144 0.000 1.409 482 L HN 0.921 nan 8.230 nan 0.000 0.502 483 G N -0.821 108.102 108.800 0.206 0.000 2.421 483 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 483 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 483 G C 0.888 176.016 174.900 0.380 0.000 1.143 483 G CA 0.276 45.551 45.100 0.291 0.000 0.784 483 G HN 0.643 nan 8.290 nan 0.000 0.541 484 D N 0.539 121.135 120.400 0.326 0.000 2.234 484 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 484 D C 2.246 178.666 176.300 0.200 0.000 0.962 484 D CA 0.565 54.740 54.000 0.293 0.000 0.855 484 D CB -0.028 40.967 40.800 0.324 0.000 0.951 484 D HN 0.423 nan 8.370 nan 0.000 0.500 485 E N -0.014 120.285 120.200 0.165 0.000 2.435 485 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 485 E C 0.922 177.578 176.600 0.092 0.000 1.029 485 E CA 0.298 56.761 56.400 0.105 0.000 0.865 485 E CB 0.358 30.112 29.700 0.090 0.000 0.833 485 E HN 0.144 nan 8.360 nan 0.000 0.510 486 D N -0.378 120.088 120.400 0.111 0.000 2.259 486 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 486 D C 1.525 177.821 176.300 -0.006 0.000 0.961 486 D CA 0.958 54.977 54.000 0.032 0.000 0.878 486 D CB 0.229 41.020 40.800 -0.014 0.000 1.009 486 D HN 0.123 nan 8.370 nan 0.000 0.490 487 H N -0.758 118.378 119.070 0.109 0.000 2.395 487 H HA 0.210 4.766 4.556 -0.000 0.000 0.299 487 H C 1.400 176.798 175.328 0.116 0.000 1.070 487 H CA 0.948 57.073 56.048 0.128 0.000 1.356 487 H CB 0.248 30.112 29.762 0.170 0.000 1.401 487 H HN 0.114 nan 8.280 nan 0.000 0.524 488 L N -0.212 121.121 121.223 0.183 0.000 2.607 488 L HA 0.238 4.578 4.340 -0.000 0.000 0.228 488 L C 1.643 178.539 176.870 0.043 0.000 1.123 488 L CA -0.110 54.775 54.840 0.075 0.000 0.890 488 L CB 0.257 42.294 42.059 -0.036 0.000 1.103 488 L HN 0.227 nan 8.230 nan 0.000 0.468 489 G N -0.402 108.431 108.800 0.055 0.000 2.873 489 G HA2 0.066 4.026 3.960 -0.000 0.000 0.170 489 G HA3 0.066 4.026 3.960 -0.000 0.000 0.170 489 G C 0.174 175.093 174.900 0.032 0.000 1.608 489 G CA 0.161 45.282 45.100 0.035 0.000 1.084 489 G HN 0.050 nan 8.290 nan 0.000 0.563 490 D N -1.378 119.037 120.400 0.024 0.000 2.272 490 D HA 0.129 4.769 4.640 -0.000 0.000 0.308 490 D C 0.881 177.191 176.300 0.016 0.000 1.104 490 D CA 0.494 54.504 54.000 0.017 0.000 0.939 490 D CB 0.629 41.432 40.800 0.006 0.000 1.733 490 D HN 0.451 nan 8.370 nan 0.000 0.517 491 M N -0.472 119.141 119.600 0.021 0.000 2.631 491 M HA 0.596 5.076 4.480 -0.000 0.000 0.288 491 M C -1.707 174.626 176.300 0.055 0.000 1.260 491 M CA -0.708 54.615 55.300 0.038 0.000 0.842 491 M CB 3.152 35.777 32.600 0.042 0.000 1.743 491 M HN -0.368 nan 8.290 nan 0.000 0.461 492 D N 1.461 121.903 120.400 0.069 0.000 2.634 492 D HA 0.336 4.976 4.640 -0.000 0.000 0.318 492 D C -1.865 174.493 176.300 0.097 0.000 1.226 492 D CA -0.206 53.832 54.000 0.063 0.000 0.899 492 D CB 0.212 41.022 40.800 0.015 0.000 1.025 492 D HN 0.515 nan 8.370 nan 0.000 0.501 493 F N 2.224 122.163 119.950 -0.020 0.000 2.471 493 F HA 0.319 4.846 4.527 -0.000 0.000 0.365 493 F C 0.062 175.852 175.800 -0.016 0.000 1.095 493 F CA -0.034 57.953 58.000 -0.022 0.000 1.174 493 F CB 0.313 39.297 39.000 -0.027 0.000 1.105 493 F HN -0.077 nan 8.300 nan 0.000 0.535 494 K N 5.353 125.507 120.400 -0.411 0.000 2.413 494 K HA 0.643 4.963 4.320 -0.000 0.000 0.257 494 K C -1.503 174.868 176.600 -0.381 0.000 0.946 494 K CA -0.858 55.265 56.287 -0.272 0.000 0.823 494 K CB 2.499 34.902 32.500 -0.162 0.000 1.109 494 K HN 0.314 nan 8.250 nan 0.000 0.427 495 V N 1.847 121.622 119.914 -0.232 0.000 2.588 495 V HA 0.721 4.841 4.120 -0.000 0.000 0.304 495 V C -0.978 175.056 176.094 -0.101 0.000 1.042 495 V CA -0.786 61.403 62.300 -0.185 0.000 0.877 495 V CB 1.738 33.492 31.823 -0.115 0.000 0.996 495 V HN 0.907 nan 8.190 nan 0.000 0.425 496 A N 3.214 125.973 122.820 -0.102 0.000 2.374 496 A HA 1.040 5.360 4.320 -0.000 0.000 0.305 496 A C -0.066 177.474 177.584 -0.074 0.000 1.053 496 A CA 0.103 52.092 52.037 -0.081 0.000 0.726 496 A CB 1.945 20.889 19.000 -0.094 0.000 1.229 496 A HN 1.478 nan 8.150 nan 0.000 0.431 497 G N -0.390 108.375 108.800 -0.059 0.000 2.428 497 G HA2 0.557 4.517 3.960 -0.000 0.000 0.304 497 G HA3 0.557 4.517 3.960 -0.000 0.000 0.304 497 G C -0.400 174.474 174.900 -0.044 0.000 1.303 497 G CA 0.421 45.489 45.100 -0.054 0.000 0.825 497 G HN 1.158 nan 8.290 nan 0.000 0.484 498 S N -1.683 113.993 115.700 -0.040 0.000 2.647 498 S HA 0.437 4.907 4.470 -0.000 0.000 0.284 498 S C 1.687 176.274 174.600 -0.020 0.000 1.134 498 S CA -0.369 57.812 58.200 -0.033 0.000 1.027 498 S CB 1.032 64.210 63.200 -0.036 0.000 1.180 498 S HN 0.527 nan 8.310 nan 0.000 0.521 499 R N 0.088 120.578 120.500 -0.016 0.000 2.115 499 R HA -0.004 4.336 4.340 -0.000 0.000 0.230 499 R C 0.914 177.210 176.300 -0.008 0.000 1.111 499 R CA 1.515 57.610 56.100 -0.007 0.000 0.976 499 R CB -0.165 30.131 30.300 -0.006 0.000 0.870 499 R HN 0.575 nan 8.270 nan 0.000 0.445 500 D N -1.095 119.296 120.400 -0.014 0.000 2.338 500 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 500 D C 0.904 177.192 176.300 -0.020 0.000 0.967 500 D CA 0.877 54.868 54.000 -0.015 0.000 0.896 500 D CB 0.463 41.253 40.800 -0.017 0.000 1.028 500 D HN 0.219 nan 8.370 nan 0.000 0.493 501 G N -0.149 108.634 108.800 -0.028 0.000 2.872 501 G HA2 0.632 4.592 3.960 -0.000 0.000 0.285 501 G HA3 0.632 4.592 3.960 -0.000 0.000 0.285 501 G C -1.247 173.629 174.900 -0.040 0.000 1.399 501 G CA -0.657 44.421 45.100 -0.037 0.000 0.897 501 G HN -0.029 nan 8.290 nan 0.000 0.502 502 I N 1.184 121.725 120.570 -0.049 0.000 2.378 502 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 502 I C 1.313 177.390 176.117 -0.067 0.000 0.992 502 I CA -0.582 60.685 61.300 -0.054 0.000 1.154 502 I CB 2.239 40.208 38.000 -0.051 0.000 1.315 502 I HN 0.600 nan 8.210 nan 0.000 0.448 503 S N 4.399 120.056 115.700 -0.072 0.000 2.387 503 S HA 0.350 4.820 4.470 -0.000 0.000 0.221 503 S C 0.744 175.293 174.600 -0.085 0.000 1.041 503 S CA 0.211 58.363 58.200 -0.079 0.000 0.959 503 S CB 0.259 63.407 63.200 -0.086 0.000 0.843 503 S HN 0.693 nan 8.310 nan 0.000 0.488 504 A N 0.413 123.176 122.820 -0.095 0.000 2.515 504 A HA 0.803 5.123 4.320 -0.000 0.000 0.298 504 A C -1.456 176.050 177.584 -0.130 0.000 1.059 504 A CA -0.679 51.295 52.037 -0.105 0.000 0.698 504 A CB 1.527 20.459 19.000 -0.112 0.000 1.289 504 A HN 0.531 nan 8.150 nan 0.000 0.404 505 L N 1.252 122.389 121.223 -0.143 0.000 2.476 505 L HA 0.602 4.942 4.340 -0.000 0.000 0.269 505 L C -0.759 175.981 176.870 -0.216 0.000 0.965 505 L CA -0.170 54.540 54.840 -0.216 0.000 0.845 505 L CB 1.886 43.826 42.059 -0.198 0.000 1.259 505 L HN 0.895 nan 8.230 nan 0.000 0.403 506 Q N 5.023 124.657 119.800 -0.278 0.000 2.340 506 Q HA 0.587 4.927 4.340 -0.000 0.000 0.268 506 Q C -1.577 174.268 176.000 -0.260 0.000 1.031 506 Q CA -0.662 55.016 55.803 -0.208 0.000 0.804 506 Q CB 2.299 30.952 28.738 -0.142 0.000 1.286 506 Q HN 0.747 nan 8.270 nan 0.000 0.448 507 M N 3.530 123.051 119.600 -0.132 0.000 2.259 507 M HA 0.414 4.894 4.480 -0.000 0.000 0.304 507 M C -1.926 174.381 176.300 0.013 0.000 1.019 507 M CA -0.410 54.879 55.300 -0.019 0.000 0.922 507 M CB 1.595 34.254 32.600 0.097 0.000 1.600 507 M HN 0.522 nan 8.290 nan 0.000 0.433 508 D N 6.499 126.920 120.400 0.036 0.000 2.402 508 D HA 0.438 5.078 4.640 -0.000 0.000 0.252 508 D C -1.016 175.304 176.300 0.034 0.000 1.294 508 D CA 0.021 54.035 54.000 0.023 0.000 0.948 508 D CB 1.174 41.978 40.800 0.007 0.000 1.202 508 D HN 0.524 nan 8.370 nan 0.000 0.561 509 I N 0.575 121.161 120.570 0.026 0.000 2.460 509 I HA 0.407 4.577 4.170 -0.000 0.000 0.298 509 I C 1.546 177.668 176.117 0.009 0.000 0.989 509 I CA -0.685 60.624 61.300 0.015 0.000 1.173 509 I CB 1.522 39.520 38.000 -0.003 0.000 1.338 509 I HN 0.203 nan 8.210 nan 0.000 0.456 510 K N 5.784 126.190 120.400 0.010 0.000 2.334 510 K HA 0.319 4.639 4.320 -0.000 0.000 0.195 510 K C 0.491 177.090 176.600 -0.001 0.000 1.045 510 K CA 0.573 56.870 56.287 0.016 0.000 1.004 510 K CB -0.293 32.226 32.500 0.033 0.000 0.837 510 K HN 0.736 nan 8.250 nan 0.000 0.510 511 I N -0.493 120.070 120.570 -0.012 0.000 2.525 511 I HA 0.452 4.622 4.170 -0.000 0.000 0.301 511 I C -0.362 175.729 176.117 -0.045 0.000 0.992 511 I CA -1.188 60.097 61.300 -0.026 0.000 1.162 511 I CB 2.114 40.103 38.000 -0.018 0.000 1.332 511 I HN 0.290 nan 8.210 nan 0.000 0.458 512 E N 3.587 123.753 120.200 -0.056 0.000 2.156 512 E HA 0.649 4.999 4.350 -0.000 0.000 0.279 512 E C 0.214 176.777 176.600 -0.061 0.000 0.965 512 E CA -0.922 55.437 56.400 -0.068 0.000 0.789 512 E CB 1.476 31.124 29.700 -0.087 0.000 1.098 512 E HN 1.141 nan 8.360 nan 0.000 0.397 513 G N 3.655 112.415 108.800 -0.067 0.000 2.223 513 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.200 513 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.200 513 G C -0.340 174.513 174.900 -0.078 0.000 1.061 513 G CA -0.642 44.421 45.100 -0.062 0.000 0.790 513 G HN 0.656 nan 8.290 nan 0.000 0.498 514 I N 2.552 123.061 120.570 -0.103 0.000 2.471 514 I HA 0.471 4.641 4.170 -0.000 0.000 0.286 514 I C 0.680 176.712 176.117 -0.141 0.000 1.079 514 I CA 0.164 61.384 61.300 -0.134 0.000 1.398 514 I CB 0.760 38.672 38.000 -0.146 0.000 1.403 514 I HN 0.175 nan 8.210 nan 0.000 0.530 515 T N 6.242 120.704 114.554 -0.152 0.000 2.881 515 T HA 0.168 4.518 4.350 -0.000 0.000 0.278 515 T C 0.955 175.565 174.700 -0.150 0.000 0.982 515 T CA -0.784 61.237 62.100 -0.131 0.000 0.989 515 T CB 1.585 70.384 68.868 -0.115 0.000 1.058 515 T HN 0.599 nan 8.240 nan 0.000 0.529 516 K N 0.125 120.459 120.400 -0.109 0.000 2.288 516 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 516 K C 1.776 178.306 176.600 -0.116 0.000 1.048 516 K CA 0.816 57.044 56.287 -0.099 0.000 0.956 516 K CB 0.143 32.610 32.500 -0.055 0.000 0.746 516 K HN 0.440 nan 8.250 nan 0.000 0.461 517 E N 0.890 121.012 120.200 -0.129 0.000 2.028 517 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 517 E C 1.985 178.429 176.600 -0.260 0.000 0.988 517 E CA 1.439 57.756 56.400 -0.138 0.000 0.799 517 E CB -0.204 29.445 29.700 -0.085 0.000 0.755 517 E HN 0.527 nan 8.360 nan 0.000 0.447 518 I N -1.608 118.710 120.570 -0.420 0.000 2.830 518 I HA -0.055 4.115 4.170 -0.000 0.000 0.263 518 I C 2.324 178.198 176.117 -0.404 0.000 1.230 518 I CA 0.630 61.609 61.300 -0.535 0.000 1.480 518 I CB -0.274 37.341 38.000 -0.642 0.000 1.095 518 I HN -0.051 nan 8.210 nan 0.000 0.455 519 M N 0.785 120.199 119.600 -0.309 0.000 2.394 519 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 519 M C 2.151 178.314 176.300 -0.229 0.000 1.073 519 M CA 1.690 56.820 55.300 -0.283 0.000 1.111 519 M CB -0.311 32.190 32.600 -0.165 0.000 1.401 519 M HN 0.335 nan 8.290 nan 0.000 0.448 520 Q N -1.357 118.338 119.800 -0.174 0.000 2.226 520 Q HA -0.016 4.324 4.340 -0.000 0.000 0.199 520 Q C 1.705 177.647 176.000 -0.097 0.000 0.945 520 Q CA 0.852 56.595 55.803 -0.100 0.000 0.861 520 Q CB 0.260 28.963 28.738 -0.059 0.000 0.953 520 Q HN 0.370 nan 8.270 nan 0.000 0.490 521 V N 1.116 120.958 119.914 -0.120 0.000 2.407 521 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 521 V C 2.276 178.314 176.094 -0.094 0.000 1.055 521 V CA 1.804 64.062 62.300 -0.069 0.000 1.049 521 V CB -0.880 30.934 31.823 -0.015 0.000 0.662 521 V HN 0.446 nan 8.190 nan 0.000 0.455 522 A N -0.602 122.089 122.820 -0.214 0.000 2.014 522 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 522 A C 2.088 179.599 177.584 -0.122 0.000 1.163 522 A CA 1.533 53.415 52.037 -0.258 0.000 0.652 522 A CB -0.319 18.324 19.000 -0.595 0.000 0.808 522 A HN 0.445 nan 8.150 nan 0.000 0.449 523 L N -0.402 120.766 121.223 -0.091 0.000 2.202 523 L HA 0.117 4.457 4.340 -0.000 0.000 0.205 523 L C 1.804 178.720 176.870 0.077 0.000 1.083 523 L CA 1.866 56.774 54.840 0.114 0.000 0.790 523 L CB -0.527 41.603 42.059 0.118 0.000 0.942 523 L HN 0.383 nan 8.230 nan 0.000 0.452 524 N N -0.740 117.976 118.700 0.027 0.000 2.270 524 N HA -0.209 4.531 4.740 -0.000 0.000 0.181 524 N C 1.848 177.378 175.510 0.034 0.000 1.016 524 N CA 1.165 54.232 53.050 0.028 0.000 0.870 524 N CB -0.015 38.480 38.487 0.015 0.000 0.979 524 N HN 0.503 nan 8.380 nan 0.000 0.431 525 Q N -0.773 119.045 119.800 0.031 0.000 2.311 525 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 525 Q C 1.660 177.692 176.000 0.054 0.000 0.954 525 Q CA 0.972 56.796 55.803 0.036 0.000 0.885 525 Q CB -0.054 28.700 28.738 0.027 0.000 0.963 525 Q HN 0.441 nan 8.270 nan 0.000 0.471 526 A N 1.043 123.910 122.820 0.079 0.000 1.930 526 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 526 A C 1.972 179.599 177.584 0.070 0.000 1.175 526 A CA 1.410 53.504 52.037 0.096 0.000 0.627 526 A CB -0.386 18.706 19.000 0.152 0.000 0.815 526 A HN 0.313 nan 8.150 nan 0.000 0.443 527 K N -0.571 119.865 120.400 0.060 0.000 2.057 527 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 527 K C 2.009 178.640 176.600 0.051 0.000 1.049 527 K CA 1.380 57.695 56.287 0.047 0.000 0.931 527 K CB -0.472 32.051 32.500 0.038 0.000 0.714 527 K HN 0.402 nan 8.250 nan 0.000 0.440 528 G N 0.072 108.903 108.800 0.052 0.000 2.408 528 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 528 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 528 G C 1.483 176.430 174.900 0.077 0.000 1.150 528 G CA 0.792 45.927 45.100 0.058 0.000 0.776 528 G HN 0.419 nan 8.290 nan 0.000 0.542 529 A N 0.220 123.080 122.820 0.067 0.000 2.016 529 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 529 A C 2.264 179.916 177.584 0.114 0.000 1.162 529 A CA 1.462 53.546 52.037 0.078 0.000 0.662 529 A CB -0.281 18.754 19.000 0.059 0.000 0.812 529 A HN 0.339 nan 8.150 nan 0.000 0.450 530 R N -0.468 120.084 120.500 0.087 0.000 2.075 530 R HA 0.093 4.433 4.340 -0.000 0.000 0.226 530 R C 1.757 178.103 176.300 0.077 0.000 1.114 530 R CA 0.987 57.130 56.100 0.071 0.000 0.972 530 R CB -0.299 30.025 30.300 0.040 0.000 0.869 530 R HN 0.480 nan 8.270 nan 0.000 0.437 531 L N -0.511 120.759 121.223 0.079 0.000 2.201 531 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 531 L C 2.288 179.211 176.870 0.088 0.000 1.105 531 L CA 1.256 56.136 54.840 0.067 0.000 0.775 531 L CB -0.398 41.696 42.059 0.058 0.000 0.913 531 L HN 0.353 nan 8.230 nan 0.000 0.440 532 H N 0.267 119.360 119.070 0.039 0.000 2.326 532 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 532 H C 2.192 177.558 175.328 0.063 0.000 1.081 532 H CA 1.741 57.817 56.048 0.047 0.000 1.334 532 H CB 0.125 29.916 29.762 0.049 0.000 1.385 532 H HN 0.185 nan 8.280 nan 0.000 0.504 533 I N -0.000 120.664 120.570 0.158 0.000 2.315 533 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 533 I C 2.061 178.213 176.117 0.058 0.000 1.117 533 I CA 0.811 62.195 61.300 0.140 0.000 1.404 533 I CB -0.203 37.920 38.000 0.205 0.000 1.071 533 I HN 0.266 nan 8.210 nan 0.000 0.419 534 L N 0.630 121.872 121.223 0.030 0.000 2.131 534 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 534 L C 2.636 179.499 176.870 -0.012 0.000 1.092 534 L CA 1.456 56.300 54.840 0.005 0.000 0.759 534 L CB -0.945 41.116 42.059 0.003 0.000 0.903 534 L HN 0.319 nan 8.230 nan 0.000 0.435 535 G N -0.762 108.014 108.800 -0.040 0.000 2.422 535 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 535 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 535 G C 1.520 176.379 174.900 -0.068 0.000 1.140 535 G CA 0.801 45.863 45.100 -0.064 0.000 0.775 535 G HN 0.222 nan 8.290 nan 0.000 0.545 536 V N 0.659 120.526 119.914 -0.078 0.000 2.591 536 V HA -0.027 4.093 4.120 -0.000 0.000 0.249 536 V C 2.768 178.876 176.094 0.023 0.000 1.053 536 V CA 1.443 63.721 62.300 -0.037 0.000 1.068 536 V CB -0.285 31.519 31.823 -0.031 0.000 0.689 536 V HN 0.322 nan 8.190 nan 0.000 0.462 537 M N -0.337 119.289 119.600 0.043 0.000 2.175 537 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 537 M C 2.116 178.430 176.300 0.024 0.000 1.063 537 M CA 1.752 57.084 55.300 0.053 0.000 1.119 537 M CB -0.328 32.294 32.600 0.037 0.000 1.377 537 M HN 0.325 nan 8.290 nan 0.000 0.415 538 E N -0.310 119.894 120.200 0.007 0.000 2.358 538 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 538 E C 1.903 178.503 176.600 0.000 0.000 1.010 538 E CA 0.504 56.904 56.400 0.000 0.000 0.856 538 E CB -0.021 29.675 29.700 -0.006 0.000 0.795 538 E HN 0.519 nan 8.360 nan 0.000 0.504 539 Q N 0.356 120.156 119.800 -0.000 0.000 2.167 539 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 539 Q C 1.895 177.899 176.000 0.006 0.000 0.970 539 Q CA 1.200 57.003 55.803 -0.001 0.000 0.855 539 Q CB 0.074 28.807 28.738 -0.008 0.000 0.911 539 Q HN 0.232 nan 8.270 nan 0.000 0.438 540 A N 0.519 123.348 122.820 0.014 0.000 1.844 540 A HA 0.158 4.478 4.320 -0.000 0.000 0.212 540 A C 0.799 178.391 177.584 0.015 0.000 1.221 540 A CA 0.987 53.035 52.037 0.018 0.000 0.607 540 A CB 0.005 19.024 19.000 0.032 0.000 0.878 540 A HN 0.447 nan 8.150 nan 0.000 0.451 541 I N -3.576 117.004 120.570 0.015 0.000 2.686 541 I HA 0.498 4.668 4.170 -0.000 0.000 0.295 541 I C -0.536 175.583 176.117 0.004 0.000 1.114 541 I CA -0.767 60.539 61.300 0.009 0.000 1.038 541 I CB 2.186 40.192 38.000 0.011 0.000 1.238 541 I HN 0.211 nan 8.210 nan 0.000 0.420 542 N N 3.094 121.793 118.700 -0.001 0.000 2.118 542 N HA 0.450 5.190 4.740 -0.000 0.000 0.226 542 N C -0.492 175.013 175.510 -0.009 0.000 1.305 542 N CA 0.086 53.132 53.050 -0.005 0.000 0.890 542 N CB 1.390 39.874 38.487 -0.005 0.000 1.118 542 N HN 0.850 nan 8.380 nan 0.000 0.511 543 A N 1.542 124.358 122.820 -0.007 0.000 2.398 543 A HA 0.714 5.034 4.320 -0.000 0.000 0.301 543 A C -2.519 175.058 177.584 -0.011 0.000 1.041 543 A CA -0.929 51.102 52.037 -0.010 0.000 0.711 543 A CB 1.612 20.609 19.000 -0.006 0.000 1.240 543 A HN 0.102 nan 8.150 nan 0.000 0.420 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 544 P CB 0.000 31.674 31.700 -0.043 0.000 0.726