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 1dvm_1_D DATA FIRST_RESID 4 DATA SEQUENCE PPSYVAHLAS DFGVRVFQQV AQASKDRNVV FSPYGVASVL AMLQLTTGGE DATA SEQUENCE TQQQIQAAMG FKIDDKGMAP ALRHLYKELM GPWNKDEIST TDAIFVQRDL DATA SEQUENCE KLVQGFMPHF FRLFRSTVKQ VDFSEVERAR FIINDWVKTH TKGMISHLLG DATA SEQUENCE TGAVQQLTRL VLVNALYFNG QWKTPFPDSS THRRLFHKSD GSTVSVPMMA DATA SEQUENCE QTNKFNYTEF TTPDGHYYDI LELPYHGDTL SMFIAAPYEK EVPLSALTNI DATA SEQUENCE LSAQLISHWK GNMTRLPRLL VLPKFSLETE VDLRKPLENL GMTDMFRQFQ DATA SEQUENCE ADFTSLSDQE PLHVALALQK VKIEVNESGT XXXXSTAVIV SARMAPEEII DATA SEQUENCE IDRPFLFVVR HNPTGTVLFM GQVMEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.337 177.300 0.062 0.000 1.155 4 P CA 0.000 63.155 63.100 0.091 0.000 0.800 4 P CB 0.000 31.759 31.700 0.098 0.000 0.726 5 P HA 0.022 nan 4.420 nan 0.000 0.207 5 P C 0.933 178.270 177.300 0.061 0.000 1.208 5 P CA 0.764 63.878 63.100 0.024 0.000 0.908 5 P CB 0.199 31.894 31.700 -0.008 0.000 0.744 6 S N -1.882 113.861 115.700 0.072 0.000 2.577 6 S HA 0.069 4.768 4.470 0.382 0.000 0.219 6 S C 1.479 176.146 174.600 0.112 0.000 0.962 6 S CA -0.399 57.845 58.200 0.073 0.000 0.921 6 S CB -0.825 62.399 63.200 0.039 0.000 0.789 6 S HN 0.165 nan 8.310 nan 0.000 0.497 7 Y N 2.702 122.998 120.300 -0.007 0.000 2.138 7 Y HA -0.083 4.694 4.550 0.378 0.000 0.286 7 Y C 2.267 178.189 175.900 0.037 0.000 1.115 7 Y CA 1.649 59.765 58.100 0.027 0.000 1.105 7 Y CB -0.782 37.674 38.460 -0.008 0.000 1.004 7 Y HN 0.123 nan 8.280 nan 0.000 0.494 8 V N -0.067 119.752 119.914 -0.159 0.000 2.720 8 V HA -0.100 4.249 4.120 0.382 0.000 0.256 8 V C 2.067 178.022 176.094 -0.231 0.000 1.082 8 V CA 1.775 63.817 62.300 -0.430 0.000 1.101 8 V CB -1.682 29.808 31.823 -0.556 0.000 0.693 8 V HN 0.478 nan 8.190 nan 0.000 0.479 9 A N -0.793 121.996 122.820 -0.052 0.000 2.016 9 A HA -0.086 4.464 4.320 0.382 0.000 0.217 9 A C 2.248 179.883 177.584 0.084 0.000 1.162 9 A CA 1.308 53.370 52.037 0.042 0.000 0.662 9 A CB -0.930 18.110 19.000 0.067 0.000 0.812 9 A HN 0.803 nan 8.150 nan 0.000 0.450 10 H N 0.016 119.049 119.070 -0.062 0.000 2.307 10 H HA 0.014 4.796 4.556 0.377 0.000 0.303 10 H C 1.859 177.150 175.328 -0.062 0.000 1.073 10 H CA 1.481 57.497 56.048 -0.054 0.000 1.338 10 H CB -0.031 29.697 29.762 -0.057 0.000 1.389 10 H HN 0.397 nan 8.280 nan 0.000 0.503 11 L N 0.398 121.534 121.223 -0.145 0.000 2.083 11 L HA -0.126 4.443 4.340 0.382 0.000 0.209 11 L C 3.074 180.002 176.870 0.095 0.000 1.083 11 L CA 0.901 55.674 54.840 -0.112 0.000 0.752 11 L CB -0.610 41.371 42.059 -0.129 0.000 0.899 11 L HN 0.306 nan 8.230 nan 0.000 0.433 12 A N -0.257 122.630 122.820 0.112 0.000 1.877 12 A HA -0.184 4.366 4.320 0.382 0.000 0.216 12 A C 2.553 180.275 177.584 0.230 0.000 1.186 12 A CA 2.102 54.282 52.037 0.238 0.000 0.620 12 A CB -0.637 18.481 19.000 0.196 0.000 0.822 12 A HN 0.348 nan 8.150 nan 0.000 0.443 13 S N 0.143 115.926 115.700 0.139 0.000 2.348 13 S HA -0.158 4.541 4.470 0.382 0.000 0.221 13 S C 1.713 176.349 174.600 0.061 0.000 1.033 13 S CA 1.425 59.684 58.200 0.099 0.000 1.010 13 S CB -0.498 62.738 63.200 0.060 0.000 0.891 13 S HN 0.606 nan 8.310 nan 0.000 0.442 14 D N 0.819 121.216 120.400 -0.006 0.000 2.116 14 D HA -0.128 4.741 4.640 0.382 0.000 0.193 14 D C 1.606 177.932 176.300 0.045 0.000 0.998 14 D CA 0.988 54.963 54.000 -0.041 0.000 0.836 14 D CB -0.497 40.217 40.800 -0.144 0.000 0.951 14 D HN 0.403 nan 8.370 nan 0.000 0.449 15 F N 1.469 121.419 119.950 -0.000 0.000 2.126 15 F HA -0.101 4.655 4.527 0.381 0.000 0.299 15 F C 2.236 178.082 175.800 0.077 0.000 1.096 15 F CA 2.071 60.090 58.000 0.032 0.000 1.255 15 F CB -0.490 38.536 39.000 0.043 0.000 0.997 15 F HN -0.030 nan 8.300 nan 0.000 0.479 16 G N -0.382 108.436 108.800 0.030 0.000 2.471 16 G HA2 -0.133 4.056 3.960 0.382 0.000 0.219 16 G HA3 -0.133 4.056 3.960 0.382 0.000 0.219 16 G C 1.604 176.556 174.900 0.087 0.000 1.125 16 G CA 0.968 46.088 45.100 0.033 0.000 0.775 16 G HN 0.374 nan 8.290 nan 0.000 0.548 17 V N 0.202 120.130 119.914 0.024 0.000 2.488 17 V HA -0.055 4.294 4.120 0.382 0.000 0.246 17 V C 2.837 178.923 176.094 -0.013 0.000 1.046 17 V CA 1.582 63.913 62.300 0.050 0.000 1.053 17 V CB -0.374 31.449 31.823 0.000 0.000 0.679 17 V HN 0.211 nan 8.190 nan 0.000 0.458 18 R N 0.122 120.549 120.500 -0.122 0.000 2.083 18 R HA -0.145 4.424 4.340 0.382 0.000 0.237 18 R C 2.184 178.350 176.300 -0.223 0.000 1.137 18 R CA 1.726 57.722 56.100 -0.173 0.000 0.951 18 R CB -0.778 29.392 30.300 -0.216 0.000 0.851 18 R HN 0.428 nan 8.270 nan 0.000 0.434 19 V N 0.264 119.998 119.914 -0.299 0.000 2.343 19 V HA -0.233 4.116 4.120 0.382 0.000 0.247 19 V C 1.934 177.806 176.094 -0.369 0.000 1.051 19 V CA 1.810 63.958 62.300 -0.254 0.000 1.036 19 V CB -0.652 31.101 31.823 -0.117 0.000 0.654 19 V HN 0.257 nan 8.190 nan 0.000 0.451 20 F N 1.116 120.749 119.950 -0.528 0.000 2.171 20 F HA -0.191 4.564 4.527 0.380 0.000 0.300 20 F C 2.476 177.999 175.800 -0.462 0.000 1.090 20 F CA 1.844 59.357 58.000 -0.811 0.000 1.293 20 F CB -0.361 38.367 39.000 -0.454 0.000 1.013 20 F HN 0.142 nan 8.300 nan 0.000 0.486 21 Q N -0.336 119.239 119.800 -0.375 0.000 2.096 21 Q HA -0.283 4.286 4.340 0.382 0.000 0.204 21 Q C 2.218 177.975 176.000 -0.405 0.000 0.982 21 Q CA 1.937 57.518 55.803 -0.370 0.000 0.850 21 Q CB -0.306 28.327 28.738 -0.175 0.000 0.901 21 Q HN 0.416 nan 8.270 nan 0.000 0.422 22 Q N -0.010 119.580 119.800 -0.349 0.000 2.046 22 Q HA -0.127 4.442 4.340 0.382 0.000 0.200 22 Q C 2.049 177.848 176.000 -0.335 0.000 0.975 22 Q CA 1.454 57.087 55.803 -0.283 0.000 0.836 22 Q CB -0.364 28.247 28.738 -0.211 0.000 0.896 22 Q HN 0.373 nan 8.270 nan 0.000 0.428 23 V N -0.302 119.336 119.914 -0.459 0.000 2.515 23 V HA -0.141 4.208 4.120 0.382 0.000 0.250 23 V C 1.780 177.600 176.094 -0.457 0.000 1.058 23 V CA 2.046 64.091 62.300 -0.425 0.000 1.064 23 V CB -0.627 30.914 31.823 -0.470 0.000 0.675 23 V HN 0.362 nan 8.190 nan 0.000 0.461 24 A N -0.561 121.837 122.820 -0.704 0.000 1.968 24 A HA -0.160 4.389 4.320 0.382 0.000 0.217 24 A C 2.113 179.486 177.584 -0.352 0.000 1.169 24 A CA 1.556 53.221 52.037 -0.620 0.000 0.638 24 A CB -0.566 17.850 19.000 -0.974 0.000 0.812 24 A HN 0.636 nan 8.150 nan 0.000 0.446 25 Q N -0.728 118.881 119.800 -0.319 0.000 2.500 25 Q HA 0.136 4.705 4.340 0.382 0.000 0.213 25 Q C 1.520 177.426 176.000 -0.156 0.000 0.974 25 Q CA 1.195 56.876 55.803 -0.204 0.000 0.918 25 Q CB -0.263 28.365 28.738 -0.183 0.000 0.980 25 Q HN 0.620 nan 8.270 nan 0.000 0.505 26 A N -0.997 121.722 122.820 -0.169 0.000 2.108 26 A HA 0.149 4.698 4.320 0.382 0.000 0.206 26 A C 1.013 178.539 177.584 -0.097 0.000 1.212 26 A CA 0.348 52.312 52.037 -0.121 0.000 0.843 26 A CB 0.328 19.256 19.000 -0.120 0.000 0.902 26 A HN 0.271 nan 8.150 nan 0.000 0.477 27 S N 0.372 116.004 115.700 -0.113 0.000 3.208 27 S HA 0.372 5.072 4.470 0.382 0.000 0.195 27 S C 0.519 175.078 174.600 -0.067 0.000 1.394 27 S CA -0.502 57.653 58.200 -0.075 0.000 1.127 27 S CB 0.568 63.727 63.200 -0.068 0.000 1.282 27 S HN 0.266 nan 8.310 nan 0.000 0.513 28 K N 1.965 122.330 120.400 -0.058 0.000 1.975 28 K HA -0.209 4.341 4.320 0.382 0.000 0.233 28 K C 0.393 176.979 176.600 -0.023 0.000 0.991 28 K CA 2.278 58.539 56.287 -0.043 0.000 1.022 28 K CB -0.272 32.211 32.500 -0.028 0.000 0.723 28 K HN 0.440 nan 8.250 nan 0.000 0.473 29 D N 0.071 120.468 120.400 -0.005 0.000 2.755 29 D HA 0.145 5.014 4.640 0.382 0.000 0.257 29 D C -0.577 175.734 176.300 0.018 0.000 1.291 29 D CA 0.039 54.048 54.000 0.015 0.000 0.836 29 D CB 0.282 41.099 40.800 0.028 0.000 1.059 29 D HN 0.089 nan 8.370 nan 0.000 0.486 30 R N 0.505 121.009 120.500 0.005 0.000 2.664 30 R HA 0.340 4.909 4.340 0.382 0.000 0.286 30 R C 0.096 176.405 176.300 0.015 0.000 0.967 30 R CA -0.808 55.299 56.100 0.011 0.000 0.933 30 R CB 1.362 31.667 30.300 0.009 0.000 1.146 30 R HN -0.076 nan 8.270 nan 0.000 0.468 31 N N 0.823 119.534 118.700 0.019 0.000 2.407 31 N HA 0.043 5.012 4.740 0.382 0.000 0.250 31 N C -0.949 174.607 175.510 0.077 0.000 1.236 31 N CA 0.404 53.471 53.050 0.029 0.000 0.879 31 N CB 1.153 39.658 38.487 0.031 0.000 1.088 31 N HN 0.197 nan 8.380 nan 0.000 0.450 32 V N 2.743 122.732 119.914 0.125 0.000 2.663 32 V HA 0.218 4.567 4.120 0.382 0.000 0.286 32 V C -0.768 175.509 176.094 0.305 0.000 1.085 32 V CA -0.725 61.693 62.300 0.197 0.000 0.916 32 V CB 1.354 33.257 31.823 0.133 0.000 1.039 32 V HN 0.425 nan 8.190 nan 0.000 0.453 33 V N 4.358 124.476 119.914 0.341 0.000 2.716 33 V HA 0.918 5.267 4.120 0.382 0.000 0.304 33 V C -0.724 175.659 176.094 0.480 0.000 1.053 33 V CA -0.436 62.103 62.300 0.398 0.000 0.984 33 V CB 1.643 33.728 31.823 0.435 0.000 1.021 33 V HN 0.949 nan 8.190 nan 0.000 0.467 34 F N 1.710 121.781 119.950 0.202 0.000 2.713 34 F HA 0.676 5.431 4.527 0.380 0.000 0.311 34 F C -0.402 175.488 175.800 0.151 0.000 1.141 34 F CA -0.258 57.856 58.000 0.191 0.000 0.939 34 F CB 2.055 41.215 39.000 0.267 0.000 1.325 34 F HN 0.727 nan 8.300 nan 0.000 0.453 35 S N 4.687 120.081 115.700 -0.510 0.000 2.653 35 S HA 0.457 5.156 4.470 0.382 0.000 0.272 35 S C -2.442 171.867 174.600 -0.485 0.000 1.221 35 S CA -1.470 56.457 58.200 -0.455 0.000 1.149 35 S CB 1.198 64.143 63.200 -0.426 0.000 1.029 35 S HN 0.380 nan 8.310 nan 0.000 0.481 36 P HA -0.139 nan 4.420 nan 0.000 0.214 36 P C 1.081 178.392 177.300 0.019 0.000 1.163 36 P CA 0.919 64.036 63.100 0.029 0.000 0.883 36 P CB -0.094 31.649 31.700 0.073 0.000 0.788 37 Y N 0.631 120.854 120.300 -0.129 0.000 2.165 37 Y HA -0.145 4.633 4.550 0.381 0.000 0.286 37 Y C 2.322 178.175 175.900 -0.079 0.000 1.155 37 Y CA 2.038 60.089 58.100 -0.082 0.000 1.164 37 Y CB -1.241 37.134 38.460 -0.140 0.000 0.978 37 Y HN -0.148 nan 8.280 nan 0.000 0.513 38 G N -0.197 108.382 108.800 -0.367 0.000 2.459 38 G HA2 -0.286 3.903 3.960 0.382 0.000 0.217 38 G HA3 -0.286 3.903 3.960 0.382 0.000 0.217 38 G C 1.803 176.538 174.900 -0.276 0.000 1.183 38 G CA 1.254 46.118 45.100 -0.393 0.000 0.776 38 G HN 0.416 nan 8.290 nan 0.000 0.552 39 V N 1.202 120.996 119.914 -0.201 0.000 2.427 39 V HA 0.016 4.365 4.120 0.382 0.000 0.248 39 V C 3.175 179.337 176.094 0.114 0.000 1.051 39 V CA 2.315 64.597 62.300 -0.031 0.000 1.048 39 V CB -0.442 31.399 31.823 0.030 0.000 0.666 39 V HN 0.441 nan 8.190 nan 0.000 0.456 40 A N -1.165 121.741 122.820 0.143 0.000 1.968 40 A HA -0.128 4.421 4.320 0.382 0.000 0.217 40 A C 2.417 180.005 177.584 0.007 0.000 1.169 40 A CA 1.922 54.074 52.037 0.190 0.000 0.638 40 A CB -0.549 18.631 19.000 0.300 0.000 0.812 40 A HN 0.568 nan 8.150 nan 0.000 0.446 41 S N -0.031 115.577 115.700 -0.152 0.000 2.343 41 S HA -0.176 4.523 4.470 0.382 0.000 0.219 41 S C 2.109 176.616 174.600 -0.155 0.000 1.033 41 S CA 1.880 59.964 58.200 -0.193 0.000 1.014 41 S CB -1.001 61.929 63.200 -0.449 0.000 0.915 41 S HN 0.851 nan 8.310 nan 0.000 0.435 42 V N 0.837 120.656 119.914 -0.157 0.000 2.332 42 V HA -0.109 4.240 4.120 0.382 0.000 0.248 42 V C 2.100 178.140 176.094 -0.091 0.000 1.055 42 V CA 1.348 63.569 62.300 -0.132 0.000 1.038 42 V CB -1.109 30.669 31.823 -0.076 0.000 0.651 42 V HN 0.315 nan 8.190 nan 0.000 0.450 43 L N 0.664 121.861 121.223 -0.043 0.000 2.131 43 L HA -0.074 4.495 4.340 0.382 0.000 0.210 43 L C 2.876 179.684 176.870 -0.103 0.000 1.092 43 L CA 2.380 57.188 54.840 -0.054 0.000 0.759 43 L CB -1.681 40.350 42.059 -0.047 0.000 0.903 43 L HN 0.530 nan 8.230 nan 0.000 0.435 44 A N -0.773 122.004 122.820 -0.072 0.000 1.930 44 A HA -0.191 4.358 4.320 0.382 0.000 0.217 44 A C 2.315 179.942 177.584 0.072 0.000 1.175 44 A CA 1.312 53.370 52.037 0.034 0.000 0.627 44 A CB -0.249 18.916 19.000 0.274 0.000 0.815 44 A HN 0.338 nan 8.150 nan 0.000 0.443 45 M N -1.243 118.248 119.600 -0.181 0.000 2.067 45 M HA -0.100 4.609 4.480 0.382 0.000 0.260 45 M C 2.124 178.477 176.300 0.089 0.000 1.069 45 M CA 1.437 56.525 55.300 -0.353 0.000 1.117 45 M CB -0.470 31.847 32.600 -0.471 0.000 1.334 45 M HN 0.400 nan 8.290 nan 0.000 0.407 46 L N 0.719 121.961 121.223 0.032 0.000 2.263 46 L HA -0.247 4.322 4.340 0.382 0.000 0.216 46 L C 2.329 179.270 176.870 0.119 0.000 1.111 46 L CA 1.827 56.711 54.840 0.075 0.000 0.773 46 L CB -0.557 41.518 42.059 0.026 0.000 0.906 46 L HN 0.345 nan 8.230 nan 0.000 0.439 47 Q N -1.080 118.769 119.800 0.082 0.000 2.124 47 Q HA -0.209 4.360 4.340 0.382 0.000 0.202 47 Q C 2.257 178.356 176.000 0.165 0.000 0.977 47 Q CA 1.695 57.539 55.803 0.067 0.000 0.850 47 Q CB -0.182 28.567 28.738 0.017 0.000 0.901 47 Q HN 0.566 nan 8.270 nan 0.000 0.429 48 L N 0.021 121.418 121.223 0.291 0.000 2.056 48 L HA -0.160 4.409 4.340 0.382 0.000 0.207 48 L C 2.644 179.810 176.870 0.494 0.000 1.078 48 L CA 1.594 56.706 54.840 0.455 0.000 0.749 48 L CB -0.647 41.782 42.059 0.618 0.000 0.901 48 L HN 0.377 nan 8.230 nan 0.000 0.433 49 T N -3.868 110.904 114.554 0.364 0.000 3.072 49 T HA -0.048 4.531 4.350 0.382 0.000 0.266 49 T C 0.928 175.713 174.700 0.141 0.000 1.127 49 T CA 0.577 62.706 62.100 0.050 0.000 1.107 49 T CB -0.703 68.156 68.868 -0.015 0.000 0.910 49 T HN 0.388 nan 8.240 nan 0.000 0.513 50 T N -1.366 113.272 114.554 0.139 0.000 2.944 50 T HA 0.736 5.315 4.350 0.382 0.000 0.284 50 T C 0.227 174.887 174.700 -0.066 0.000 1.010 50 T CA -0.359 61.718 62.100 -0.039 0.000 1.025 50 T CB 1.730 70.500 68.868 -0.163 0.000 1.079 50 T HN 0.424 nan 8.240 nan 0.000 0.516 51 G N -1.270 107.439 108.800 -0.151 0.000 2.866 51 G HA2 0.693 4.882 3.960 0.382 0.000 0.289 51 G HA3 0.693 4.882 3.960 0.382 0.000 0.289 51 G C 0.402 175.230 174.900 -0.120 0.000 1.396 51 G CA -0.147 44.896 45.100 -0.094 0.000 0.848 51 G HN 1.532 nan 8.290 nan 0.000 0.515 52 G N 0.319 109.073 108.800 -0.077 0.000 2.594 52 G HA2 -0.248 3.941 3.960 0.382 0.000 0.297 52 G HA3 -0.248 3.941 3.960 0.382 0.000 0.297 52 G C 1.191 176.043 174.900 -0.080 0.000 1.273 52 G CA 1.205 46.262 45.100 -0.072 0.000 0.974 52 G HN 1.375 nan 8.290 nan 0.000 0.552 53 E N -0.177 119.975 120.200 -0.080 0.000 2.347 53 E HA -0.046 4.534 4.350 0.382 0.000 0.196 53 E C 2.266 178.804 176.600 -0.103 0.000 1.008 53 E CA 1.904 58.260 56.400 -0.074 0.000 0.852 53 E CB -0.909 28.758 29.700 -0.055 0.000 0.783 53 E HN 0.510 nan 8.360 nan 0.000 0.505 54 T N 1.959 116.418 114.554 -0.158 0.000 2.821 54 T HA -0.186 4.393 4.350 0.382 0.000 0.267 54 T C 1.934 176.515 174.700 -0.199 0.000 1.046 54 T CA 1.863 63.828 62.100 -0.226 0.000 1.139 54 T CB -0.104 68.513 68.868 -0.419 0.000 0.871 54 T HN 0.548 nan 8.240 nan 0.000 0.454 55 Q N 0.937 120.636 119.800 -0.167 0.000 2.137 55 Q HA -0.012 4.557 4.340 0.382 0.000 0.198 55 Q C 2.163 178.104 176.000 -0.098 0.000 0.960 55 Q CA 0.918 56.647 55.803 -0.123 0.000 0.847 55 Q CB -0.311 28.375 28.738 -0.086 0.000 0.915 55 Q HN 0.460 nan 8.270 nan 0.000 0.448 56 Q N 0.659 120.410 119.800 -0.082 0.000 2.084 56 Q HA -0.197 4.372 4.340 0.382 0.000 0.202 56 Q C 2.268 178.230 176.000 -0.062 0.000 0.978 56 Q CA 1.778 57.543 55.803 -0.063 0.000 0.844 56 Q CB -0.083 28.627 28.738 -0.047 0.000 0.898 56 Q HN 0.571 nan 8.270 nan 0.000 0.426 57 Q N 0.298 120.061 119.800 -0.062 0.000 2.061 57 Q HA -0.186 4.384 4.340 0.382 0.000 0.204 57 Q C 2.161 178.135 176.000 -0.042 0.000 0.984 57 Q CA 1.300 57.079 55.803 -0.040 0.000 0.846 57 Q CB -0.202 28.515 28.738 -0.034 0.000 0.902 57 Q HN 0.455 nan 8.270 nan 0.000 0.421 58 I N 0.603 121.125 120.570 -0.079 0.000 2.252 58 I HA -0.276 4.123 4.170 0.382 0.000 0.245 58 I C 2.307 178.300 176.117 -0.207 0.000 1.102 58 I CA 1.173 62.399 61.300 -0.124 0.000 1.385 58 I CB -0.277 37.633 38.000 -0.149 0.000 1.064 58 I HN 0.235 nan 8.210 nan 0.000 0.414 59 Q N 0.632 120.320 119.800 -0.186 0.000 2.226 59 Q HA -0.140 4.429 4.340 0.382 0.000 0.204 59 Q C 2.369 178.279 176.000 -0.150 0.000 0.975 59 Q CA 1.479 57.154 55.803 -0.214 0.000 0.866 59 Q CB -0.181 28.471 28.738 -0.144 0.000 0.915 59 Q HN 0.585 nan 8.270 nan 0.000 0.440 60 A N 1.001 123.770 122.820 -0.086 0.000 1.874 60 A HA 0.036 4.585 4.320 0.382 0.000 0.214 60 A C 2.299 179.876 177.584 -0.012 0.000 1.189 60 A CA 1.181 53.197 52.037 -0.035 0.000 0.615 60 A CB -0.710 18.282 19.000 -0.014 0.000 0.830 60 A HN 0.355 nan 8.150 nan 0.000 0.443 61 A N -0.369 122.455 122.820 0.007 0.000 1.877 61 A HA -0.142 4.407 4.320 0.382 0.000 0.216 61 A C 2.298 179.978 177.584 0.161 0.000 1.186 61 A CA 1.954 54.069 52.037 0.131 0.000 0.620 61 A CB -0.538 18.601 19.000 0.233 0.000 0.822 61 A HN 0.527 nan 8.150 nan 0.000 0.443 62 M N -2.476 116.995 119.600 -0.214 0.000 2.160 62 M HA 0.119 4.828 4.480 0.382 0.000 0.264 62 M C 1.727 177.909 176.300 -0.197 0.000 1.073 62 M CA 1.397 56.393 55.300 -0.506 0.000 1.142 62 M CB -0.060 31.934 32.600 -1.010 0.000 1.358 62 M HN 0.686 nan 8.290 nan 0.000 0.422 63 G N 0.799 109.493 108.800 -0.176 0.000 2.179 63 G HA2 -0.225 3.964 3.960 0.382 0.000 0.220 63 G HA3 -0.225 3.964 3.960 0.382 0.000 0.220 63 G C -0.104 174.839 174.900 0.072 0.000 0.990 63 G CA 0.032 45.122 45.100 -0.017 0.000 0.646 63 G HN 0.530 nan 8.290 nan 0.000 0.517 64 F N -0.799 119.114 119.950 -0.061 0.000 2.668 64 F HA 0.825 5.580 4.527 0.381 0.000 0.309 64 F C -0.722 175.061 175.800 -0.027 0.000 1.117 64 F CA -1.947 56.038 58.000 -0.024 0.000 0.951 64 F CB 0.974 39.955 39.000 -0.031 0.000 1.323 64 F HN -0.028 nan 8.300 nan 0.000 0.451 65 K N 2.649 123.139 120.400 0.151 0.000 2.213 65 K HA 0.387 4.937 4.320 0.382 0.000 0.270 65 K C 0.358 177.098 176.600 0.233 0.000 1.002 65 K CA -0.794 55.532 56.287 0.065 0.000 0.868 65 K CB 2.553 35.093 32.500 0.067 0.000 1.093 65 K HN 0.763 nan 8.250 nan 0.000 0.454 66 I N 2.352 123.024 120.570 0.171 0.000 2.423 66 I HA -0.230 4.170 4.170 0.382 0.000 0.254 66 I C 0.896 177.084 176.117 0.120 0.000 1.151 66 I CA 1.824 63.261 61.300 0.228 0.000 1.421 66 I CB -0.084 38.051 38.000 0.225 0.000 1.079 66 I HN 0.650 nan 8.210 nan 0.000 0.431 67 D N -0.017 120.456 120.400 0.122 0.000 2.347 67 D HA -0.032 4.838 4.640 0.382 0.000 0.213 67 D C 0.239 176.591 176.300 0.087 0.000 0.985 67 D CA 0.332 54.401 54.000 0.115 0.000 0.879 67 D CB -0.109 40.779 40.800 0.147 0.000 0.919 67 D HN 0.313 nan 8.370 nan 0.000 0.526 68 D N 1.025 121.483 120.400 0.097 0.000 2.424 68 D HA -0.008 4.861 4.640 0.382 0.000 0.244 68 D C 0.265 176.595 176.300 0.051 0.000 1.134 68 D CA -0.006 54.044 54.000 0.082 0.000 0.881 68 D CB 0.648 41.517 40.800 0.116 0.000 1.191 68 D HN -0.037 nan 8.370 nan 0.000 0.445 69 K N 1.028 121.447 120.400 0.031 0.000 2.530 69 K HA 0.082 4.631 4.320 0.382 0.000 0.280 69 K C 1.115 177.712 176.600 -0.005 0.000 1.004 69 K CA 0.930 57.221 56.287 0.006 0.000 1.071 69 K CB 0.016 32.517 32.500 0.002 0.000 0.876 69 K HN 0.616 nan 8.250 nan 0.000 0.487 70 G N 3.717 112.500 108.800 -0.030 0.000 2.253 70 G HA2 -0.296 3.893 3.960 0.382 0.000 0.251 70 G HA3 -0.296 3.893 3.960 0.382 0.000 0.251 70 G C 0.814 175.678 174.900 -0.060 0.000 0.998 70 G CA 0.375 45.450 45.100 -0.043 0.000 0.621 70 G HN 0.527 nan 8.290 nan 0.000 0.524 71 M N 0.798 120.365 119.600 -0.055 0.000 2.066 71 M HA 0.175 4.884 4.480 0.382 0.000 0.259 71 M C 3.034 179.237 176.300 -0.162 0.000 1.074 71 M CA 2.510 57.746 55.300 -0.107 0.000 1.114 71 M CB -1.781 30.823 32.600 0.007 0.000 1.306 71 M HN 0.680 nan 8.290 nan 0.000 0.411 72 A N 0.979 123.680 122.820 -0.197 0.000 1.873 72 A HA -0.072 4.477 4.320 0.382 0.000 0.215 72 A C -0.229 177.187 177.584 -0.280 0.000 1.186 72 A CA 1.439 53.257 52.037 -0.365 0.000 0.616 72 A CB -2.150 16.516 19.000 -0.557 0.000 0.823 72 A HN 0.387 nan 8.150 nan 0.000 0.442 73 P HA -0.149 nan 4.420 nan 0.000 0.219 73 P C 1.477 178.748 177.300 -0.049 0.000 1.146 73 P CA 1.913 64.942 63.100 -0.119 0.000 0.808 73 P CB -0.098 31.545 31.700 -0.095 0.000 0.779 74 A N 0.054 122.839 122.820 -0.059 0.000 1.897 74 A HA -0.052 4.497 4.320 0.382 0.000 0.215 74 A C 2.417 180.032 177.584 0.052 0.000 1.181 74 A CA 0.977 53.012 52.037 -0.003 0.000 0.620 74 A CB -1.411 17.562 19.000 -0.044 0.000 0.821 74 A HN 0.101 nan 8.150 nan 0.000 0.443 75 L N -1.332 119.880 121.223 -0.018 0.000 2.093 75 L HA -0.099 4.470 4.340 0.382 0.000 0.208 75 L C 2.777 179.699 176.870 0.087 0.000 1.085 75 L CA 1.359 56.225 54.840 0.042 0.000 0.755 75 L CB -0.417 41.643 42.059 0.002 0.000 0.904 75 L HN 0.383 nan 8.230 nan 0.000 0.435 76 R N -0.959 119.540 120.500 -0.001 0.000 2.096 76 R HA -0.192 4.377 4.340 0.382 0.000 0.235 76 R C 2.538 178.906 176.300 0.114 0.000 1.127 76 R CA 1.202 57.313 56.100 0.019 0.000 0.968 76 R CB -0.240 30.006 30.300 -0.091 0.000 0.861 76 R HN 0.383 nan 8.270 nan 0.000 0.440 77 H N -0.235 118.846 119.070 0.018 0.000 2.428 77 H HA -0.099 4.685 4.556 0.381 0.000 0.296 77 H C 1.757 177.118 175.328 0.055 0.000 1.062 77 H CA 1.239 57.305 56.048 0.030 0.000 1.350 77 H CB 0.280 30.046 29.762 0.005 0.000 1.403 77 H HN 0.169 nan 8.280 nan 0.000 0.533 78 L N 0.656 121.934 121.223 0.091 0.000 2.201 78 L HA -0.143 4.426 4.340 0.382 0.000 0.212 78 L C 2.125 179.014 176.870 0.031 0.000 1.105 78 L CA 1.239 56.095 54.840 0.027 0.000 0.775 78 L CB -1.065 41.046 42.059 0.086 0.000 0.913 78 L HN 0.200 nan 8.230 nan 0.000 0.440 79 Y N 0.550 120.854 120.300 0.007 0.000 2.153 79 Y HA -0.200 4.578 4.550 0.381 0.000 0.289 79 Y C 2.431 178.324 175.900 -0.012 0.000 1.127 79 Y CA 1.874 60.002 58.100 0.047 0.000 1.131 79 Y CB -0.237 38.279 38.460 0.094 0.000 0.995 79 Y HN 0.146 nan 8.280 nan 0.000 0.505 80 K N 0.054 120.402 120.400 -0.086 0.000 2.089 80 K HA -0.292 4.257 4.320 0.382 0.000 0.210 80 K C 2.132 178.632 176.600 -0.166 0.000 1.048 80 K CA 2.042 58.231 56.287 -0.163 0.000 0.926 80 K CB -0.310 32.124 32.500 -0.111 0.000 0.714 80 K HN 0.448 nan 8.250 nan 0.000 0.448 81 E N 1.011 121.097 120.200 -0.190 0.000 2.077 81 E HA -0.168 4.411 4.350 0.382 0.000 0.193 81 E C 2.005 178.688 176.600 0.139 0.000 0.989 81 E CA 0.892 57.247 56.400 -0.075 0.000 0.800 81 E CB 0.028 29.633 29.700 -0.158 0.000 0.746 81 E HN 0.219 nan 8.360 nan 0.000 0.452 82 L N 0.049 121.254 121.223 -0.030 0.000 2.141 82 L HA -0.099 4.470 4.340 0.382 0.000 0.209 82 L C 2.029 178.908 176.870 0.015 0.000 1.094 82 L CA 0.525 55.427 54.840 0.103 0.000 0.763 82 L CB -0.039 41.943 42.059 -0.129 0.000 0.908 82 L HN 0.268 nan 8.230 nan 0.000 0.437 83 M N -0.347 119.107 119.600 -0.243 0.000 2.431 83 M HA 0.202 4.911 4.480 0.382 0.000 0.237 83 M C 1.123 177.250 176.300 -0.288 0.000 1.130 83 M CA -0.017 55.065 55.300 -0.364 0.000 1.002 83 M CB -0.979 31.298 32.600 -0.539 0.000 1.524 83 M HN 0.054 nan 8.290 nan 0.000 0.482 84 G N 2.097 110.810 108.800 -0.146 0.000 2.712 84 G HA2 0.117 4.306 3.960 0.382 0.000 0.258 84 G HA3 0.117 4.306 3.960 0.382 0.000 0.258 84 G C -1.425 173.365 174.900 -0.183 0.000 1.241 84 G CA -0.649 44.423 45.100 -0.046 0.000 0.923 84 G HN 0.202 nan 8.290 nan 0.000 0.548 85 P HA -0.108 nan 4.420 nan 0.000 0.228 85 P C 1.542 178.832 177.300 -0.017 0.000 1.151 85 P CA 1.219 64.288 63.100 -0.052 0.000 0.770 85 P CB -0.068 31.641 31.700 0.015 0.000 0.786 86 W N -0.082 121.249 121.300 0.052 0.000 2.436 86 W HA 0.058 4.949 4.660 0.385 0.000 0.284 86 W C 0.316 176.938 176.519 0.171 0.000 1.225 86 W CA -0.103 57.321 57.345 0.132 0.000 1.271 86 W CB -1.834 27.686 29.460 0.101 0.000 1.114 86 W HN -0.121 nan 8.180 nan 0.000 0.559 87 N N 3.018 120.942 118.700 -1.293 0.000 2.406 87 N HA -0.015 4.954 4.740 0.382 0.000 0.269 87 N C -0.460 174.740 175.510 -0.517 0.000 1.210 87 N CA 0.372 52.607 53.050 -1.358 0.000 0.966 87 N CB 0.353 37.999 38.487 -1.401 0.000 1.293 87 N HN -0.176 nan 8.380 nan 0.000 0.491 88 K N 2.406 122.654 120.400 -0.254 0.000 3.233 88 K HA 0.005 4.554 4.320 0.382 0.000 0.283 88 K C -0.286 176.210 176.600 -0.175 0.000 1.209 88 K CA -0.150 56.038 56.287 -0.165 0.000 1.197 88 K CB -0.837 31.593 32.500 -0.115 0.000 1.431 88 K HN 0.592 nan 8.250 nan 0.000 0.326 89 D N -1.124 119.149 120.400 -0.212 0.000 2.733 89 D HA -0.276 4.593 4.640 0.382 0.000 0.232 89 D C -0.034 176.202 176.300 -0.108 0.000 1.161 89 D CA 1.223 55.130 54.000 -0.155 0.000 0.653 89 D CB -1.413 39.315 40.800 -0.121 0.000 1.052 89 D HN 0.605 nan 8.370 nan 0.000 0.424 90 E N -0.465 119.627 120.200 -0.181 0.000 2.216 90 E HA 0.098 4.677 4.350 0.382 0.000 0.192 90 E C 1.185 177.684 176.600 -0.168 0.000 0.988 90 E CA 0.750 56.990 56.400 -0.266 0.000 0.834 90 E CB 0.572 30.060 29.700 -0.353 0.000 0.772 90 E HN 0.691 nan 8.360 nan 0.000 0.479 91 I N 1.266 121.840 120.570 0.006 0.000 2.476 91 I HA 0.160 4.559 4.170 0.382 0.000 0.281 91 I C -1.189 175.031 176.117 0.171 0.000 1.040 91 I CA -0.623 60.811 61.300 0.223 0.000 1.094 91 I CB 1.204 39.464 38.000 0.435 0.000 1.219 91 I HN -0.123 nan 8.210 nan 0.000 0.450 92 S N 4.560 120.409 115.700 0.248 0.000 2.454 92 S HA 0.837 5.536 4.470 0.382 0.000 0.306 92 S C -0.187 174.572 174.600 0.266 0.000 1.100 92 S CA -0.378 57.932 58.200 0.183 0.000 1.087 92 S CB 1.748 65.010 63.200 0.103 0.000 1.019 92 S HN 0.740 nan 8.310 nan 0.000 0.480 93 T N -1.200 113.513 114.554 0.265 0.000 2.864 93 T HA 0.805 5.384 4.350 0.382 0.000 0.299 93 T C -0.723 174.136 174.700 0.265 0.000 1.166 93 T CA -0.639 61.635 62.100 0.290 0.000 1.007 93 T CB 1.893 70.969 68.868 0.347 0.000 1.219 93 T HN 0.797 nan 8.240 nan 0.000 0.506 94 T N 0.505 115.193 114.554 0.224 0.000 3.012 94 T HA 0.513 5.092 4.350 0.382 0.000 0.330 94 T C -2.270 172.537 174.700 0.178 0.000 1.321 94 T CA -0.637 61.599 62.100 0.225 0.000 1.067 94 T CB 1.496 70.516 68.868 0.253 0.000 1.235 94 T HN 0.762 nan 8.240 nan 0.000 0.479 95 D N 1.795 122.279 120.400 0.139 0.000 2.575 95 D HA 0.742 5.611 4.640 0.382 0.000 0.236 95 D C -0.819 175.491 176.300 0.016 0.000 1.075 95 D CA -0.491 53.530 54.000 0.035 0.000 0.860 95 D CB 2.145 42.892 40.800 -0.089 0.000 1.475 95 D HN 0.822 nan 8.370 nan 0.000 0.474 96 A N 1.445 124.220 122.820 -0.076 0.000 2.565 96 A HA 0.580 5.129 4.320 0.382 0.000 0.298 96 A C -1.565 175.853 177.584 -0.276 0.000 1.062 96 A CA -0.640 51.207 52.037 -0.317 0.000 0.723 96 A CB 0.986 19.679 19.000 -0.510 0.000 1.282 96 A HN 0.476 nan 8.150 nan 0.000 0.400 97 I N 1.920 122.204 120.570 -0.477 0.000 2.439 97 I HA 0.435 4.834 4.170 0.382 0.000 0.285 97 I C -1.385 174.436 176.117 -0.493 0.000 1.021 97 I CA -0.267 60.837 61.300 -0.327 0.000 1.091 97 I CB 1.496 39.311 38.000 -0.308 0.000 1.242 97 I HN 0.542 nan 8.210 nan 0.000 0.439 98 F N 6.165 125.998 119.950 -0.196 0.000 2.415 98 F HA 0.580 5.336 4.527 0.381 0.000 0.348 98 F C 0.100 175.885 175.800 -0.026 0.000 1.119 98 F CA -0.777 57.137 58.000 -0.142 0.000 1.069 98 F CB 1.667 40.622 39.000 -0.075 0.000 1.124 98 F HN 0.092 nan 8.300 nan 0.000 0.472 99 V N 4.073 124.022 119.914 0.058 0.000 2.735 99 V HA 0.370 4.719 4.120 0.382 0.000 0.310 99 V C -0.511 175.629 176.094 0.078 0.000 1.061 99 V CA -0.725 61.620 62.300 0.074 0.000 0.913 99 V CB 1.921 33.690 31.823 -0.090 0.000 1.005 99 V HN 0.621 nan 8.190 nan 0.000 0.428 100 Q N 3.346 123.268 119.800 0.203 0.000 2.269 100 Q HA -0.030 4.539 4.340 0.382 0.000 0.300 100 Q C 1.115 177.107 176.000 -0.013 0.000 1.070 100 Q CA 0.750 56.617 55.803 0.108 0.000 0.957 100 Q CB 0.627 29.486 28.738 0.202 0.000 1.131 100 Q HN 0.814 nan 8.270 nan 0.000 0.377 101 R N 3.505 123.963 120.500 -0.069 0.000 2.073 101 R HA -0.164 4.405 4.340 0.382 0.000 0.234 101 R C 1.399 177.681 176.300 -0.030 0.000 1.134 101 R CA 1.877 57.942 56.100 -0.059 0.000 0.952 101 R CB -0.017 30.239 30.300 -0.074 0.000 0.850 101 R HN 0.673 nan 8.270 nan 0.000 0.433 102 D N 0.272 120.663 120.400 -0.016 0.000 2.311 102 D HA -0.112 4.757 4.640 0.382 0.000 0.212 102 D C -0.009 176.290 176.300 -0.001 0.000 0.972 102 D CA 0.496 54.493 54.000 -0.004 0.000 0.887 102 D CB 0.068 40.872 40.800 0.006 0.000 0.915 102 D HN 0.234 nan 8.370 nan 0.000 0.497 103 L N 1.733 122.955 121.223 -0.002 0.000 2.410 103 L HA 0.063 4.632 4.340 0.382 0.000 0.273 103 L C 0.769 177.630 176.870 -0.015 0.000 1.144 103 L CA -0.177 54.658 54.840 -0.007 0.000 0.863 103 L CB 0.743 42.794 42.059 -0.013 0.000 1.140 103 L HN -0.300 nan 8.230 nan 0.000 0.463 104 K N 4.274 124.667 120.400 -0.011 0.000 2.316 104 K HA 0.308 4.857 4.320 0.382 0.000 0.289 104 K C -0.210 176.380 176.600 -0.017 0.000 1.070 104 K CA -0.502 55.780 56.287 -0.008 0.000 0.928 104 K CB 0.812 33.312 32.500 -0.001 0.000 1.039 104 K HN 0.296 nan 8.250 nan 0.000 0.480 105 L N 2.320 123.535 121.223 -0.013 0.000 2.468 105 L HA 0.329 4.898 4.340 0.382 0.000 0.254 105 L C 0.684 177.559 176.870 0.008 0.000 1.171 105 L CA -0.831 53.995 54.840 -0.022 0.000 0.809 105 L CB 0.051 42.117 42.059 0.011 0.000 1.155 105 L HN 0.180 nan 8.230 nan 0.000 0.473 106 V N 1.732 121.650 119.914 0.006 0.000 2.508 106 V HA 0.036 4.385 4.120 0.382 0.000 0.281 106 V C 0.747 176.907 176.094 0.109 0.000 1.041 106 V CA -0.472 61.856 62.300 0.047 0.000 1.016 106 V CB 0.772 32.616 31.823 0.036 0.000 0.984 106 V HN 0.731 nan 8.190 nan 0.000 0.478 107 Q N 4.043 123.889 119.800 0.077 0.000 2.242 107 Q HA 0.100 4.669 4.340 0.382 0.000 0.284 107 Q C 0.971 177.029 176.000 0.097 0.000 1.130 107 Q CA 1.165 57.014 55.803 0.076 0.000 0.940 107 Q CB 0.121 28.887 28.738 0.047 0.000 1.146 107 Q HN 1.185 nan 8.270 nan 0.000 0.388 108 G N 4.400 113.271 108.800 0.118 0.000 2.184 108 G HA2 -0.313 3.876 3.960 0.382 0.000 0.206 108 G HA3 -0.313 3.876 3.960 0.382 0.000 0.206 108 G C 0.137 175.150 174.900 0.188 0.000 0.995 108 G CA 0.141 45.312 45.100 0.118 0.000 0.651 108 G HN 0.642 nan 8.290 nan 0.000 0.511 109 F N 1.398 121.410 119.950 0.104 0.000 2.094 109 F HA 0.268 5.024 4.527 0.381 0.000 0.291 109 F C 2.673 178.592 175.800 0.199 0.000 1.109 109 F CA 2.036 60.131 58.000 0.158 0.000 1.221 109 F CB -0.231 38.827 39.000 0.096 0.000 1.014 109 F HN 0.084 nan 8.300 nan 0.000 0.473 110 M N 0.756 120.372 119.600 0.028 0.000 2.089 110 M HA -0.177 4.532 4.480 0.382 0.000 0.257 110 M C -0.332 175.971 176.300 0.004 0.000 1.071 110 M CA 2.128 57.391 55.300 -0.062 0.000 1.096 110 M CB -2.663 29.972 32.600 0.058 0.000 1.330 110 M HN 0.100 nan 8.290 nan 0.000 0.403 111 P HA -0.111 nan 4.420 nan 0.000 0.217 111 P C 1.486 178.891 177.300 0.175 0.000 1.151 111 P CA 1.319 64.490 63.100 0.118 0.000 0.828 111 P CB -0.231 31.524 31.700 0.092 0.000 0.788 112 H N -1.331 117.749 119.070 0.018 0.000 2.389 112 H HA -0.107 4.678 4.556 0.382 0.000 0.299 112 H C 1.684 177.006 175.328 -0.010 0.000 1.081 112 H CA 1.271 57.322 56.048 0.005 0.000 1.345 112 H CB -0.994 28.772 29.762 0.007 0.000 1.393 112 H HN 0.017 nan 8.280 nan 0.000 0.520 113 F N -0.695 119.070 119.950 -0.307 0.000 2.259 113 F HA -0.080 4.676 4.527 0.382 0.000 0.298 113 F C 1.930 177.689 175.800 -0.069 0.000 1.088 113 F CA 0.976 58.792 58.000 -0.306 0.000 1.358 113 F CB -0.429 38.215 39.000 -0.594 0.000 1.040 113 F HN 0.226 nan 8.300 nan 0.000 0.505 114 F N 0.642 120.598 119.950 0.010 0.000 2.187 114 F HA 0.020 4.776 4.527 0.383 0.000 0.295 114 F C 2.576 178.326 175.800 -0.083 0.000 1.091 114 F CA 1.121 59.122 58.000 0.002 0.000 1.308 114 F CB -0.497 38.530 39.000 0.045 0.000 1.030 114 F HN -0.267 nan 8.300 nan 0.000 0.487 115 R N 0.775 121.282 120.500 0.011 0.000 2.159 115 R HA -0.123 4.446 4.340 0.382 0.000 0.237 115 R C 1.799 177.936 176.300 -0.271 0.000 1.131 115 R CA 1.564 57.619 56.100 -0.075 0.000 0.982 115 R CB -0.517 29.812 30.300 0.049 0.000 0.868 115 R HN 0.414 nan 8.270 nan 0.000 0.453 116 L N -2.198 118.772 121.223 -0.423 0.000 2.515 116 L HA 0.131 4.700 4.340 0.382 0.000 0.223 116 L C 1.053 177.413 176.870 -0.850 0.000 1.079 116 L CA 0.263 54.742 54.840 -0.601 0.000 0.857 116 L CB 0.022 41.654 42.059 -0.710 0.000 1.050 116 L HN -0.015 nan 8.230 nan 0.000 0.476 117 F N -0.692 118.914 119.950 -0.574 0.000 2.728 117 F HA 0.268 5.024 4.527 0.381 0.000 0.314 117 F C 0.752 176.248 175.800 -0.506 0.000 1.094 117 F CA -0.455 57.212 58.000 -0.555 0.000 1.217 117 F CB 0.478 39.001 39.000 -0.794 0.000 1.056 117 F HN -0.153 nan 8.300 nan 0.000 0.577 118 R N 0.320 120.469 120.500 -0.586 0.000 3.946 118 R HA -0.188 4.381 4.340 0.382 0.000 0.329 118 R C -0.117 175.834 176.300 -0.582 0.000 1.209 118 R CA 0.920 56.469 56.100 -0.918 0.000 0.909 118 R CB -2.977 27.053 30.300 -0.449 0.000 1.355 118 R HN 0.446 nan 8.270 nan 0.000 0.539 119 S N -2.072 113.500 115.700 -0.214 0.000 2.667 119 S HA 0.790 5.489 4.470 0.382 0.000 0.292 119 S C 0.063 174.924 174.600 0.435 0.000 1.126 119 S CA -0.103 58.209 58.200 0.187 0.000 0.881 119 S CB 3.120 66.394 63.200 0.122 0.000 1.132 119 S HN 0.246 nan 8.310 nan 0.000 0.492 120 T N -1.709 113.072 114.554 0.378 0.000 2.908 120 T HA 0.687 5.266 4.350 0.382 0.000 0.290 120 T C -0.320 174.330 174.700 -0.083 0.000 1.034 120 T CA -0.788 61.474 62.100 0.270 0.000 1.010 120 T CB 1.047 69.993 68.868 0.131 0.000 1.068 120 T HN 0.603 nan 8.240 nan 0.000 0.481 121 V N 3.271 122.952 119.914 -0.389 0.000 2.715 121 V HA 0.276 4.625 4.120 0.382 0.000 0.299 121 V C 0.468 176.275 176.094 -0.478 0.000 1.054 121 V CA -0.465 61.475 62.300 -0.601 0.000 1.077 121 V CB 0.490 31.969 31.823 -0.573 0.000 0.972 121 V HN 0.777 nan 8.190 nan 0.000 0.484 122 K N 4.290 124.277 120.400 -0.690 0.000 2.172 122 K HA 0.452 5.001 4.320 0.382 0.000 0.276 122 K C -0.390 175.949 176.600 -0.435 0.000 1.013 122 K CA -0.289 55.574 56.287 -0.707 0.000 0.913 122 K CB 1.349 33.040 32.500 -1.349 0.000 1.055 122 K HN 0.651 nan 8.250 nan 0.000 0.461 123 Q N 0.926 120.572 119.800 -0.257 0.000 2.274 123 Q HA 0.591 5.160 4.340 0.382 0.000 0.260 123 Q C -1.217 174.702 176.000 -0.135 0.000 0.974 123 Q CA -0.796 54.911 55.803 -0.159 0.000 0.876 123 Q CB 2.193 30.860 28.738 -0.119 0.000 1.297 123 Q HN 0.360 nan 8.270 nan 0.000 0.446 124 V N 1.810 121.601 119.914 -0.206 0.000 3.147 124 V HA 0.225 4.574 4.120 0.382 0.000 0.299 124 V C -2.011 173.817 176.094 -0.443 0.000 1.302 124 V CA -0.757 61.358 62.300 -0.309 0.000 1.015 124 V CB 2.478 34.072 31.823 -0.381 0.000 1.086 124 V HN 0.820 nan 8.190 nan 0.000 0.437 125 D N 3.857 124.069 120.400 -0.314 0.000 2.380 125 D HA 0.329 5.198 4.640 0.382 0.000 0.230 125 D C 0.460 176.622 176.300 -0.230 0.000 1.154 125 D CA -0.095 53.779 54.000 -0.209 0.000 0.859 125 D CB 0.716 41.462 40.800 -0.090 0.000 1.045 125 D HN 0.403 nan 8.370 nan 0.000 0.495 126 F N 1.298 121.233 119.950 -0.024 0.000 2.699 126 F HA -0.057 4.699 4.527 0.382 0.000 0.298 126 F C 2.474 178.259 175.800 -0.024 0.000 1.154 126 F CA 0.388 58.368 58.000 -0.034 0.000 1.457 126 F CB -0.269 38.701 39.000 -0.050 0.000 1.106 126 F HN 0.362 nan 8.300 nan 0.000 0.585 127 S N -0.900 114.870 115.700 0.117 0.000 2.720 127 S HA -0.005 4.694 4.470 0.382 0.000 0.222 127 S C 0.616 175.243 174.600 0.045 0.000 0.958 127 S CA 0.150 58.392 58.200 0.071 0.000 0.943 127 S CB -0.444 62.784 63.200 0.046 0.000 0.779 127 S HN 0.366 nan 8.310 nan 0.000 0.526 128 E N 0.485 120.710 120.200 0.042 0.000 3.898 128 E HA 0.371 4.950 4.350 0.382 0.000 0.219 128 E C 0.791 177.415 176.600 0.040 0.000 1.207 128 E CA -0.202 56.212 56.400 0.024 0.000 1.240 128 E CB 0.621 30.322 29.700 0.001 0.000 1.239 128 E HN 0.135 nan 8.360 nan 0.000 0.422 129 V N 0.721 120.672 119.914 0.061 0.000 2.233 129 V HA -0.387 3.962 4.120 0.382 0.000 0.256 129 V C 2.052 178.185 176.094 0.064 0.000 1.069 129 V CA 2.311 64.656 62.300 0.074 0.000 1.054 129 V CB -0.440 31.415 31.823 0.055 0.000 0.664 129 V HN 0.482 nan 8.190 nan 0.000 0.453 130 E N -0.246 119.983 120.200 0.048 0.000 2.070 130 E HA -0.210 4.369 4.350 0.382 0.000 0.197 130 E C 2.374 179.025 176.600 0.085 0.000 1.004 130 E CA 1.702 58.133 56.400 0.052 0.000 0.805 130 E CB -0.284 29.427 29.700 0.018 0.000 0.744 130 E HN 0.537 nan 8.360 nan 0.000 0.451 131 R N -0.299 120.239 120.500 0.063 0.000 2.070 131 R HA -0.071 4.498 4.340 0.382 0.000 0.233 131 R C 2.402 178.786 176.300 0.141 0.000 1.137 131 R CA 1.211 57.377 56.100 0.109 0.000 0.945 131 R CB -0.591 29.740 30.300 0.052 0.000 0.845 131 R HN 0.192 nan 8.270 nan 0.000 0.430 132 A N 2.364 125.203 122.820 0.032 0.000 1.859 132 A HA -0.270 4.279 4.320 0.382 0.000 0.217 132 A C 2.188 179.728 177.584 -0.073 0.000 1.198 132 A CA 2.170 54.164 52.037 -0.072 0.000 0.629 132 A CB -0.696 18.237 19.000 -0.111 0.000 0.830 132 A HN 0.481 nan 8.150 nan 0.000 0.446 133 R N -1.751 118.753 120.500 0.007 0.000 2.189 133 R HA -0.035 4.535 4.340 0.382 0.000 0.223 133 R C 1.917 178.213 176.300 -0.007 0.000 1.092 133 R CA 1.543 57.626 56.100 -0.028 0.000 0.989 133 R CB -0.674 29.632 30.300 0.010 0.000 0.876 133 R HN 0.503 nan 8.270 nan 0.000 0.457 134 F N 1.969 121.891 119.950 -0.047 0.000 2.128 134 F HA 0.081 4.837 4.527 0.382 0.000 0.295 134 F C 1.916 177.709 175.800 -0.011 0.000 1.100 134 F CA 0.845 58.838 58.000 -0.012 0.000 1.260 134 F CB -0.160 38.844 39.000 0.007 0.000 1.009 134 F HN -0.136 nan 8.300 nan 0.000 0.476 135 I N 0.482 120.954 120.570 -0.164 0.000 2.248 135 I HA -0.338 4.061 4.170 0.382 0.000 0.248 135 I C 2.282 178.272 176.117 -0.211 0.000 1.107 135 I CA 1.621 62.798 61.300 -0.204 0.000 1.373 135 I CB -0.447 37.544 38.000 -0.014 0.000 1.055 135 I HN 0.226 nan 8.210 nan 0.000 0.418 136 I N 0.238 120.604 120.570 -0.340 0.000 2.353 136 I HA -0.225 4.174 4.170 0.382 0.000 0.248 136 I C 2.179 178.202 176.117 -0.157 0.000 1.119 136 I CA 0.970 61.999 61.300 -0.451 0.000 1.417 136 I CB -0.442 37.135 38.000 -0.704 0.000 1.078 136 I HN 0.265 nan 8.210 nan 0.000 0.421 137 N N 0.693 119.281 118.700 -0.187 0.000 2.135 137 N HA -0.207 4.762 4.740 0.382 0.000 0.186 137 N C 1.533 176.978 175.510 -0.107 0.000 1.027 137 N CA 1.586 54.563 53.050 -0.122 0.000 0.849 137 N CB -0.395 38.024 38.487 -0.113 0.000 1.002 137 N HN 0.316 nan 8.380 nan 0.000 0.425 138 D N 0.604 120.834 120.400 -0.284 0.000 2.149 138 D HA -0.177 4.692 4.640 0.382 0.000 0.198 138 D C 1.770 178.055 176.300 -0.024 0.000 0.990 138 D CA 0.791 54.633 54.000 -0.264 0.000 0.839 138 D CB -0.068 40.377 40.800 -0.591 0.000 0.948 138 D HN 0.354 nan 8.370 nan 0.000 0.460 139 W N 0.697 121.952 121.300 -0.074 0.000 2.363 139 W HA -0.179 4.710 4.660 0.381 0.000 0.296 139 W C 1.535 178.120 176.519 0.110 0.000 1.212 139 W CA 0.980 58.362 57.345 0.062 0.000 1.260 139 W CB -0.328 29.203 29.460 0.119 0.000 1.131 139 W HN -0.089 nan 8.180 nan 0.000 0.530 140 V N 1.452 121.486 119.914 0.201 0.000 2.270 140 V HA -0.310 4.039 4.120 0.382 0.000 0.245 140 V C 2.567 178.679 176.094 0.030 0.000 1.043 140 V CA 2.393 64.773 62.300 0.133 0.000 1.014 140 V CB -1.156 30.750 31.823 0.138 0.000 0.645 140 V HN 0.067 nan 8.190 nan 0.000 0.447 141 K N 0.657 121.060 120.400 0.004 0.000 2.001 141 K HA -0.293 4.256 4.320 0.382 0.000 0.214 141 K C 2.327 178.883 176.600 -0.074 0.000 1.050 141 K CA 2.630 58.900 56.287 -0.029 0.000 0.934 141 K CB -0.567 31.914 32.500 -0.031 0.000 0.718 141 K HN 0.686 nan 8.250 nan 0.000 0.443 142 T N -1.530 112.963 114.554 -0.102 0.000 2.684 142 T HA -0.168 4.411 4.350 0.382 0.000 0.267 142 T C 1.482 175.990 174.700 -0.321 0.000 1.036 142 T CA 1.701 63.681 62.100 -0.200 0.000 1.148 142 T CB -0.681 68.055 68.868 -0.220 0.000 0.863 142 T HN 0.412 nan 8.240 nan 0.000 0.436 143 H N 1.652 120.495 119.070 -0.377 0.000 2.543 143 H HA 0.282 5.067 4.556 0.382 0.000 0.269 143 H C 1.363 176.618 175.328 -0.121 0.000 1.005 143 H CA 1.041 56.902 56.048 -0.310 0.000 1.146 143 H CB -0.114 29.351 29.762 -0.496 0.000 1.353 143 H HN 0.660 nan 8.280 nan 0.000 0.595 144 T N -2.602 111.937 114.554 -0.025 0.000 3.339 144 T HA 0.155 4.734 4.350 0.382 0.000 0.292 144 T C 0.507 175.151 174.700 -0.093 0.000 1.012 144 T CA -0.723 61.377 62.100 -0.000 0.000 0.937 144 T CB 0.114 69.009 68.868 0.045 0.000 1.164 144 T HN -0.031 nan 8.240 nan 0.000 0.509 145 K N 1.003 121.329 120.400 -0.124 0.000 3.048 145 K HA -0.236 4.314 4.320 0.382 0.000 0.274 145 K C 1.253 177.759 176.600 -0.156 0.000 1.098 145 K CA 0.993 57.190 56.287 -0.151 0.000 0.807 145 K CB -2.071 30.334 32.500 -0.159 0.000 1.217 145 K HN 1.320 nan 8.250 nan 0.000 0.477 146 G N -0.642 108.079 108.800 -0.131 0.000 2.143 146 G HA2 -0.373 3.816 3.960 0.382 0.000 0.249 146 G HA3 -0.373 3.816 3.960 0.382 0.000 0.249 146 G C 0.796 175.616 174.900 -0.133 0.000 0.981 146 G CA 0.658 45.692 45.100 -0.109 0.000 0.665 146 G HN 0.176 nan 8.290 nan 0.000 0.528 147 M N -0.268 119.211 119.600 -0.201 0.000 2.099 147 M HA 0.338 5.047 4.480 0.382 0.000 0.262 147 M C 1.344 177.598 176.300 -0.078 0.000 1.067 147 M CA 1.039 56.166 55.300 -0.288 0.000 1.124 147 M CB -0.203 32.021 32.600 -0.626 0.000 1.353 147 M HN 0.306 nan 8.290 nan 0.000 0.410 148 I N -0.220 120.348 120.570 -0.003 0.000 2.355 148 I HA 0.146 4.545 4.170 0.382 0.000 0.288 148 I C 0.868 177.015 176.117 0.051 0.000 0.999 148 I CA -0.191 61.148 61.300 0.065 0.000 1.163 148 I CB 1.402 39.472 38.000 0.116 0.000 1.316 148 I HN 0.169 nan 8.210 nan 0.000 0.454 149 S N 3.343 119.082 115.700 0.065 0.000 2.641 149 S HA 0.160 4.860 4.470 0.382 0.000 0.239 149 S C 0.526 175.192 174.600 0.109 0.000 1.081 149 S CA 0.043 58.283 58.200 0.066 0.000 0.904 149 S CB -0.087 63.149 63.200 0.061 0.000 0.803 149 S HN 0.618 nan 8.310 nan 0.000 0.510 150 H N -0.003 119.087 119.070 0.033 0.000 2.502 150 H HA 0.750 5.535 4.556 0.382 0.000 0.338 150 H C -1.508 173.847 175.328 0.044 0.000 1.155 150 H CA -0.805 55.265 56.048 0.037 0.000 1.237 150 H CB 1.315 31.102 29.762 0.041 0.000 1.534 150 H HN 0.184 nan 8.280 nan 0.000 0.523 151 L N 5.282 126.232 121.223 -0.454 0.000 2.529 151 L HA 0.134 4.703 4.340 0.382 0.000 0.258 151 L C 0.136 176.818 176.870 -0.313 0.000 1.032 151 L CA -0.237 54.463 54.840 -0.233 0.000 0.899 151 L CB 0.999 42.976 42.059 -0.137 0.000 1.174 151 L HN 0.683 nan 8.230 nan 0.000 0.458 152 L N 2.637 123.799 121.223 -0.102 0.000 2.058 152 L HA -0.237 4.332 4.340 0.382 0.000 0.226 152 L C 2.258 179.114 176.870 -0.023 0.000 1.089 152 L CA 2.555 57.406 54.840 0.017 0.000 0.799 152 L CB -0.995 41.121 42.059 0.096 0.000 0.900 152 L HN 0.784 nan 8.230 nan 0.000 0.442 153 G N -2.358 106.429 108.800 -0.022 0.000 2.564 153 G HA2 -0.251 3.938 3.960 0.382 0.000 0.216 153 G HA3 -0.251 3.938 3.960 0.382 0.000 0.216 153 G C 1.297 176.170 174.900 -0.045 0.000 1.124 153 G CA 1.140 46.228 45.100 -0.021 0.000 0.764 153 G HN 0.541 nan 8.290 nan 0.000 0.550 154 T N -2.498 112.005 114.554 -0.085 0.000 3.215 154 T HA 0.244 4.823 4.350 0.382 0.000 0.254 154 T C 2.016 176.688 174.700 -0.047 0.000 1.149 154 T CA 0.805 62.852 62.100 -0.088 0.000 1.042 154 T CB 0.489 69.272 68.868 -0.141 0.000 0.966 154 T HN 0.123 nan 8.240 nan 0.000 0.534 155 G N 0.392 109.178 108.800 -0.024 0.000 2.777 155 G HA2 0.372 4.561 3.960 0.382 0.000 0.211 155 G HA3 0.372 4.561 3.960 0.382 0.000 0.211 155 G C 1.460 176.355 174.900 -0.008 0.000 1.149 155 G CA 0.191 45.293 45.100 0.004 0.000 0.785 155 G HN 0.641 nan 8.290 nan 0.000 0.536 156 A N 0.189 122.994 122.820 -0.024 0.000 2.208 156 A HA 0.427 4.976 4.320 0.382 0.000 0.209 156 A C 1.189 178.737 177.584 -0.061 0.000 1.161 156 A CA 0.591 52.606 52.037 -0.036 0.000 0.782 156 A CB -0.205 18.773 19.000 -0.037 0.000 0.816 156 A HN 0.738 nan 8.150 nan 0.000 0.477 157 V N -0.558 119.321 119.914 -0.059 0.000 2.509 157 V HA 0.676 5.025 4.120 0.382 0.000 0.284 157 V C -0.673 175.401 176.094 -0.035 0.000 1.047 157 V CA -0.450 61.798 62.300 -0.087 0.000 0.952 157 V CB 1.079 32.870 31.823 -0.053 0.000 0.988 157 V HN 0.587 nan 8.190 nan 0.000 0.469 158 Q N 3.083 122.846 119.800 -0.063 0.000 2.983 158 Q HA 0.395 4.964 4.340 0.382 0.000 0.366 158 Q C 0.917 176.923 176.000 0.011 0.000 0.772 158 Q CA -0.307 55.493 55.803 -0.005 0.000 0.857 158 Q CB 0.554 29.283 28.738 -0.014 0.000 1.286 158 Q HN 0.669 nan 8.270 nan 0.000 0.489 159 Q N 0.410 120.224 119.800 0.023 0.000 2.181 159 Q HA -0.109 4.460 4.340 0.382 0.000 0.205 159 Q C 1.500 177.505 176.000 0.007 0.000 0.980 159 Q CA 1.634 57.461 55.803 0.040 0.000 0.862 159 Q CB -0.216 28.539 28.738 0.029 0.000 0.905 159 Q HN 0.562 nan 8.270 nan 0.000 0.429 160 L N 1.249 122.447 121.223 -0.041 0.000 2.270 160 L HA 0.057 4.626 4.340 0.382 0.000 0.210 160 L C 0.938 177.706 176.870 -0.170 0.000 1.104 160 L CA 0.208 55.005 54.840 -0.070 0.000 0.804 160 L CB -0.367 41.662 42.059 -0.051 0.000 0.937 160 L HN 0.054 nan 8.230 nan 0.000 0.450 161 T N 0.995 115.374 114.554 -0.290 0.000 2.946 161 T HA 0.027 4.606 4.350 0.382 0.000 0.312 161 T C 1.080 175.280 174.700 -0.834 0.000 1.066 161 T CA 0.498 62.236 62.100 -0.602 0.000 1.138 161 T CB 0.616 69.009 68.868 -0.792 0.000 1.014 161 T HN 0.329 nan 8.240 nan 0.000 0.544 162 R N 0.612 120.645 120.500 -0.778 0.000 2.504 162 R HA 0.262 4.831 4.340 0.382 0.000 0.341 162 R C -1.134 175.001 176.300 -0.275 0.000 0.905 162 R CA -0.392 55.457 56.100 -0.419 0.000 1.133 162 R CB 0.549 30.745 30.300 -0.174 0.000 1.704 162 R HN 0.318 nan 8.270 nan 0.000 0.503 163 L N 0.997 121.952 121.223 -0.447 0.000 2.614 163 L HA 0.434 5.003 4.340 0.382 0.000 0.264 163 L C -1.764 174.942 176.870 -0.273 0.000 0.940 163 L CA -0.700 53.951 54.840 -0.314 0.000 0.903 163 L CB 2.312 44.071 42.059 -0.500 0.000 1.306 163 L HN -0.231 nan 8.230 nan 0.000 0.410 164 V N 5.371 125.244 119.914 -0.069 0.000 2.577 164 V HA 0.545 4.894 4.120 0.382 0.000 0.303 164 V C -0.860 175.264 176.094 0.050 0.000 1.042 164 V CA -0.668 61.629 62.300 -0.005 0.000 0.872 164 V CB 2.099 33.973 31.823 0.084 0.000 0.998 164 V HN 0.658 nan 8.190 nan 0.000 0.423 165 L N 6.078 127.309 121.223 0.013 0.000 2.329 165 L HA 0.866 5.435 4.340 0.382 0.000 0.279 165 L C -1.103 175.806 176.870 0.065 0.000 1.014 165 L CA -0.217 54.635 54.840 0.020 0.000 0.814 165 L CB 1.898 43.952 42.059 -0.009 0.000 1.257 165 L HN 0.516 nan 8.230 nan 0.000 0.424 166 V N 5.149 125.110 119.914 0.078 0.000 2.971 166 V HA 0.531 4.880 4.120 0.382 0.000 0.309 166 V C -0.678 175.463 176.094 0.078 0.000 1.130 166 V CA -0.859 61.497 62.300 0.094 0.000 0.964 166 V CB 2.413 34.321 31.823 0.143 0.000 1.029 166 V HN 0.902 nan 8.190 nan 0.000 0.427 167 N N 2.265 121.010 118.700 0.075 0.000 2.478 167 N HA 0.705 5.674 4.740 0.382 0.000 0.291 167 N C -1.308 174.251 175.510 0.082 0.000 1.090 167 N CA -0.143 52.940 53.050 0.056 0.000 0.911 167 N CB 2.157 40.642 38.487 -0.002 0.000 1.546 167 N HN 0.903 nan 8.380 nan 0.000 0.500 168 A N 4.315 127.208 122.820 0.122 0.000 2.359 168 A HA 0.648 5.197 4.320 0.382 0.000 0.303 168 A C -1.405 176.299 177.584 0.200 0.000 1.066 168 A CA -0.588 51.541 52.037 0.154 0.000 0.730 168 A CB 1.030 20.126 19.000 0.161 0.000 1.211 168 A HN 0.491 nan 8.150 nan 0.000 0.439 169 L N 1.850 123.225 121.223 0.252 0.000 2.354 169 L HA 0.570 5.139 4.340 0.382 0.000 0.269 169 L C -0.914 176.203 176.870 0.411 0.000 1.005 169 L CA -0.518 54.550 54.840 0.380 0.000 0.819 169 L CB 1.466 43.833 42.059 0.514 0.000 1.311 169 L HN 0.861 nan 8.230 nan 0.000 0.423 170 Y N 2.517 122.974 120.300 0.261 0.000 2.442 170 Y HA 0.680 5.460 4.550 0.383 0.000 0.344 170 Y C -1.702 174.255 175.900 0.095 0.000 0.976 170 Y CA -0.975 57.201 58.100 0.127 0.000 1.040 170 Y CB 2.164 40.662 38.460 0.064 0.000 1.228 170 Y HN 0.437 nan 8.280 nan 0.000 0.451 171 F N 5.307 124.586 119.950 -1.120 0.000 2.601 171 F HA 0.561 5.318 4.527 0.383 0.000 0.309 171 F C -1.629 173.536 175.800 -1.058 0.000 1.089 171 F CA -0.756 56.647 58.000 -0.996 0.000 0.940 171 F CB 1.914 40.172 39.000 -1.237 0.000 1.273 171 F HN 0.590 nan 8.300 nan 0.000 0.450 172 N N 2.885 120.595 118.700 -1.650 0.000 3.304 172 N HA 0.261 5.230 4.740 0.382 0.000 0.187 172 N C -0.870 173.897 175.510 -1.238 0.000 1.482 172 N CA 0.118 52.460 53.050 -1.181 0.000 0.785 172 N CB 0.426 38.549 38.487 -0.606 0.000 1.619 172 N HN 0.952 nan 8.380 nan 0.000 0.624 173 G N 0.663 108.377 108.800 -1.810 0.000 2.569 173 G HA2 0.283 4.472 3.960 0.382 0.000 0.249 173 G HA3 0.283 4.472 3.960 0.382 0.000 0.249 173 G C -0.476 173.972 174.900 -0.754 0.000 1.216 173 G CA -0.183 44.049 45.100 -1.446 0.000 0.845 173 G HN 0.508 nan 8.290 nan 0.000 0.568 174 Q N 0.134 119.746 119.800 -0.313 0.000 2.398 174 Q HA 0.197 4.766 4.340 0.382 0.000 0.251 174 Q C -0.710 175.443 176.000 0.256 0.000 0.999 174 Q CA -0.496 55.300 55.803 -0.011 0.000 0.874 174 Q CB 1.004 29.812 28.738 0.116 0.000 1.215 174 Q HN 0.601 nan 8.270 nan 0.000 0.470 175 W N 2.551 124.097 121.300 0.409 0.000 2.377 175 W HA -0.109 4.778 4.660 0.379 0.000 0.341 175 W C 1.499 178.134 176.519 0.193 0.000 1.240 175 W CA 0.106 57.613 57.345 0.271 0.000 1.311 175 W CB 0.520 30.093 29.460 0.188 0.000 1.175 175 W HN 0.616 nan 8.180 nan 0.000 0.571 176 K N 0.539 121.190 120.400 0.418 0.000 2.283 176 K HA -0.083 4.466 4.320 0.382 0.000 0.202 176 K C -0.003 176.691 176.600 0.156 0.000 1.048 176 K CA 1.184 57.619 56.287 0.247 0.000 0.948 176 K CB 0.055 32.651 32.500 0.160 0.000 0.742 176 K HN 0.403 nan 8.250 nan 0.000 0.458 177 T N 2.851 117.490 114.554 0.141 0.000 3.078 177 T HA 0.285 4.864 4.350 0.382 0.000 0.328 177 T C -2.763 171.936 174.700 -0.001 0.000 0.987 177 T CA -1.377 60.725 62.100 0.004 0.000 1.049 177 T CB 1.884 70.666 68.868 -0.144 0.000 1.011 177 T HN -0.035 nan 8.240 nan 0.000 0.463 178 P HA 0.200 nan 4.420 nan 0.000 0.267 178 P C -0.561 176.756 177.300 0.028 0.000 1.200 178 P CA -0.325 62.894 63.100 0.198 0.000 0.772 178 P CB 0.299 32.111 31.700 0.186 0.000 0.855 179 F N 3.267 123.248 119.950 0.051 0.000 2.438 179 F HA 0.241 4.996 4.527 0.380 0.000 0.356 179 F C -1.508 174.311 175.800 0.032 0.000 1.099 179 F CA -1.910 56.090 58.000 -0.001 0.000 1.185 179 F CB -0.049 38.929 39.000 -0.036 0.000 1.115 179 F HN 0.186 nan 8.300 nan 0.000 0.526 180 P HA -0.048 nan 4.420 nan 0.000 0.256 180 P C 0.213 177.583 177.300 0.117 0.000 1.189 180 P CA 0.552 63.708 63.100 0.094 0.000 0.808 180 P CB 0.373 32.103 31.700 0.049 0.000 0.793 181 D N 1.952 122.414 120.400 0.103 0.000 2.191 181 D HA -0.214 4.655 4.640 0.382 0.000 0.195 181 D C 1.657 178.001 176.300 0.074 0.000 1.003 181 D CA 2.115 56.169 54.000 0.090 0.000 0.867 181 D CB -0.021 40.820 40.800 0.068 0.000 0.926 181 D HN 0.341 nan 8.370 nan 0.000 0.450 182 S N -1.509 114.225 115.700 0.056 0.000 2.481 182 S HA -0.008 4.691 4.470 0.382 0.000 0.231 182 S C 1.791 176.413 174.600 0.036 0.000 0.996 182 S CA 0.489 58.713 58.200 0.040 0.000 0.942 182 S CB 0.248 63.463 63.200 0.024 0.000 0.768 182 S HN 0.015 nan 8.310 nan 0.000 0.520 183 S N 1.050 116.781 115.700 0.051 0.000 2.548 183 S HA 0.144 4.843 4.470 0.382 0.000 0.215 183 S C 0.498 175.160 174.600 0.103 0.000 0.976 183 S CA -0.021 58.197 58.200 0.030 0.000 0.908 183 S CB -0.069 63.157 63.200 0.043 0.000 0.781 183 S HN 0.529 nan 8.310 nan 0.000 0.519 184 T N 4.456 119.096 114.554 0.143 0.000 2.761 184 T HA 0.142 4.721 4.350 0.382 0.000 0.287 184 T C -0.121 174.721 174.700 0.237 0.000 0.931 184 T CA 0.036 62.251 62.100 0.191 0.000 1.164 184 T CB -0.136 68.796 68.868 0.108 0.000 0.876 184 T HN 0.454 nan 8.240 nan 0.000 0.534 185 H N 1.717 120.803 119.070 0.028 0.000 2.894 185 H HA 0.646 5.430 4.556 0.381 0.000 0.368 185 H C -0.583 174.761 175.328 0.028 0.000 1.181 185 H CA -1.721 54.343 56.048 0.027 0.000 1.146 185 H CB 0.789 30.569 29.762 0.028 0.000 1.839 185 H HN 0.265 nan 8.280 nan 0.000 0.557 186 R N 0.818 121.294 120.500 -0.040 0.000 2.340 186 R HA 0.392 4.962 4.340 0.382 0.000 0.300 186 R C -0.280 175.919 176.300 -0.168 0.000 1.069 186 R CA -0.233 55.810 56.100 -0.094 0.000 0.984 186 R CB 0.460 30.751 30.300 -0.014 0.000 1.003 186 R HN 0.807 nan 8.270 nan 0.000 0.459 187 R N 3.622 124.021 120.500 -0.168 0.000 2.651 187 R HA 0.314 4.883 4.340 0.382 0.000 0.278 187 R C -1.308 174.980 176.300 -0.020 0.000 1.010 187 R CA -0.949 55.080 56.100 -0.118 0.000 0.896 187 R CB 0.844 31.017 30.300 -0.212 0.000 1.211 187 R HN 0.349 nan 8.270 nan 0.000 0.456 188 L N 4.293 125.511 121.223 -0.007 0.000 2.513 188 L HA 0.182 4.751 4.340 0.382 0.000 0.272 188 L C -0.361 176.493 176.870 -0.026 0.000 1.187 188 L CA 0.779 55.599 54.840 -0.033 0.000 0.895 188 L CB -0.140 41.859 42.059 -0.099 0.000 1.147 188 L HN 0.474 nan 8.230 nan 0.000 0.483 189 F N 4.019 123.883 119.950 -0.142 0.000 2.415 189 F HA 0.322 5.078 4.527 0.381 0.000 0.348 189 F C 0.526 176.239 175.800 -0.145 0.000 1.119 189 F CA -0.431 57.528 58.000 -0.068 0.000 1.069 189 F CB 0.372 39.371 39.000 -0.002 0.000 1.124 189 F HN 0.412 nan 8.300 nan 0.000 0.472 190 H N 6.294 125.168 119.070 -0.327 0.000 2.723 190 H HA 0.216 5.001 4.556 0.382 0.000 0.294 190 H C -0.118 175.126 175.328 -0.139 0.000 1.079 190 H CA -0.335 55.615 56.048 -0.163 0.000 1.411 190 H CB 0.947 30.623 29.762 -0.143 0.000 1.439 190 H HN 0.557 nan 8.280 nan 0.000 0.474 191 K N 1.163 121.650 120.400 0.145 0.000 2.117 191 K HA 0.121 4.670 4.320 0.382 0.000 0.240 191 K C 1.402 178.079 176.600 0.129 0.000 1.031 191 K CA -0.568 55.835 56.287 0.193 0.000 0.909 191 K CB 0.979 33.589 32.500 0.184 0.000 1.097 191 K HN 0.340 nan 8.250 nan 0.000 0.492 192 S N 1.226 117.000 115.700 0.122 0.000 2.365 192 S HA -0.210 4.489 4.470 0.382 0.000 0.225 192 S C 1.225 175.868 174.600 0.071 0.000 1.039 192 S CA 2.257 60.510 58.200 0.088 0.000 1.033 192 S CB -0.443 62.803 63.200 0.076 0.000 0.887 192 S HN 0.724 nan 8.310 nan 0.000 0.447 193 D N -0.371 120.070 120.400 0.068 0.000 2.087 193 D HA 0.119 4.988 4.640 0.382 0.000 0.203 193 D C 1.499 177.835 176.300 0.060 0.000 0.976 193 D CA 1.594 55.627 54.000 0.055 0.000 0.865 193 D CB -0.887 39.942 40.800 0.048 0.000 1.005 193 D HN 0.482 nan 8.370 nan 0.000 0.449 194 G N -1.354 107.487 108.800 0.068 0.000 4.260 194 G HA2 0.025 4.214 3.960 0.382 0.000 0.164 194 G HA3 0.025 4.214 3.960 0.382 0.000 0.164 194 G C 0.092 175.040 174.900 0.079 0.000 0.955 194 G CA 0.329 45.477 45.100 0.079 0.000 0.797 194 G HN 0.507 nan 8.290 nan 0.000 0.516 195 S N 1.572 117.311 115.700 0.065 0.000 2.563 195 S HA 0.483 5.182 4.470 0.382 0.000 0.284 195 S C 0.522 175.147 174.600 0.042 0.000 1.331 195 S CA 1.136 59.366 58.200 0.051 0.000 1.047 195 S CB 0.494 63.726 63.200 0.053 0.000 0.859 195 S HN 0.957 nan 8.310 nan 0.000 0.514 196 T N 1.599 116.156 114.554 0.006 0.000 2.848 196 T HA 0.664 5.243 4.350 0.382 0.000 0.285 196 T C -0.472 174.226 174.700 -0.003 0.000 0.995 196 T CA -0.838 61.231 62.100 -0.050 0.000 0.970 196 T CB 1.026 69.789 68.868 -0.174 0.000 0.976 196 T HN 0.699 nan 8.240 nan 0.000 0.441 197 V N 0.810 120.747 119.914 0.040 0.000 2.815 197 V HA 0.644 4.993 4.120 0.382 0.000 0.314 197 V C 1.353 177.467 176.094 0.035 0.000 1.064 197 V CA -0.857 61.468 62.300 0.040 0.000 0.952 197 V CB 1.198 33.049 31.823 0.046 0.000 1.020 197 V HN 0.923 nan 8.190 nan 0.000 0.439 198 S N 1.390 117.098 115.700 0.014 0.000 2.380 198 S HA -0.021 4.678 4.470 0.382 0.000 0.217 198 S C 0.649 175.255 174.600 0.009 0.000 1.036 198 S CA 1.550 59.754 58.200 0.006 0.000 1.050 198 S CB -0.334 62.867 63.200 0.002 0.000 1.016 198 S HN 1.418 nan 8.310 nan 0.000 0.419 199 V N 1.676 121.586 119.914 -0.006 0.000 3.541 199 V HA -0.122 4.227 4.120 0.382 0.000 0.501 199 V C -2.761 173.317 176.094 -0.027 0.000 0.682 199 V CA -0.323 61.964 62.300 -0.023 0.000 2.045 199 V CB -1.203 30.599 31.823 -0.036 0.000 2.474 199 V HN 0.352 nan 8.190 nan 0.000 0.507 200 P HA 0.409 nan 4.420 nan 0.000 0.276 200 P C -0.241 177.032 177.300 -0.046 0.000 1.253 200 P CA 0.167 63.247 63.100 -0.033 0.000 0.766 200 P CB 0.591 32.286 31.700 -0.009 0.000 0.845 201 M N 4.337 123.875 119.600 -0.104 0.000 2.134 201 M HA 0.394 5.103 4.480 0.382 0.000 0.310 201 M C 0.109 176.392 176.300 -0.028 0.000 0.966 201 M CA -0.681 54.557 55.300 -0.103 0.000 0.922 201 M CB 1.388 33.887 32.600 -0.169 0.000 1.537 201 M HN 0.282 nan 8.290 nan 0.000 0.424 202 M N 2.199 121.761 119.600 -0.062 0.000 2.235 202 M HA 0.843 5.552 4.480 0.382 0.000 0.351 202 M C -0.647 175.692 176.300 0.065 0.000 1.178 202 M CA -0.288 54.995 55.300 -0.027 0.000 1.143 202 M CB 0.964 33.414 32.600 -0.249 0.000 1.530 202 M HN 0.631 nan 8.290 nan 0.000 0.461 203 A N 2.258 125.253 122.820 0.291 0.000 2.430 203 A HA 0.840 5.389 4.320 0.382 0.000 0.300 203 A C -1.148 176.677 177.584 0.403 0.000 1.124 203 A CA -0.615 51.632 52.037 0.350 0.000 0.766 203 A CB 2.247 21.373 19.000 0.210 0.000 1.328 203 A HN 0.914 nan 8.150 nan 0.000 0.424 204 Q N 0.168 120.113 119.800 0.241 0.000 2.599 204 Q HA 0.414 4.983 4.340 0.382 0.000 0.248 204 Q C -1.569 174.519 176.000 0.147 0.000 0.964 204 Q CA -0.176 55.650 55.803 0.038 0.000 1.011 204 Q CB 1.678 30.175 28.738 -0.400 0.000 1.592 204 Q HN 1.145 nan 8.270 nan 0.000 0.443 205 T N 1.462 116.046 114.554 0.049 0.000 2.855 205 T HA 0.823 5.402 4.350 0.382 0.000 0.281 205 T C -0.229 174.377 174.700 -0.157 0.000 1.007 205 T CA 0.312 62.458 62.100 0.076 0.000 1.009 205 T CB 1.143 70.030 68.868 0.032 0.000 0.983 205 T HN 0.932 nan 8.240 nan 0.000 0.455 206 N N 0.707 119.217 118.700 -0.317 0.000 3.321 206 N HA 0.182 5.151 4.740 0.382 0.000 0.318 206 N C -1.873 173.311 175.510 -0.544 0.000 1.340 206 N CA -1.173 51.590 53.050 -0.479 0.000 0.824 206 N CB 0.304 38.471 38.487 -0.534 0.000 1.780 206 N HN 0.370 nan 8.380 nan 0.000 0.393 207 K N 0.371 120.488 120.400 -0.470 0.000 2.250 207 K HA 0.379 4.928 4.320 0.382 0.000 0.285 207 K C -1.652 174.738 176.600 -0.350 0.000 1.097 207 K CA 0.096 56.208 56.287 -0.292 0.000 0.913 207 K CB -0.412 31.989 32.500 -0.166 0.000 1.179 207 K HN 0.270 nan 8.250 nan 0.000 0.462 208 F N 1.624 121.548 119.950 -0.044 0.000 2.410 208 F HA 0.263 5.017 4.527 0.379 0.000 0.349 208 F C 0.888 176.709 175.800 0.034 0.000 1.117 208 F CA -1.105 56.878 58.000 -0.029 0.000 1.104 208 F CB 0.821 39.799 39.000 -0.037 0.000 1.122 208 F HN 0.330 nan 8.300 nan 0.000 0.483 209 N N 3.166 121.993 118.700 0.212 0.000 2.438 209 N HA 0.037 5.006 4.740 0.382 0.000 0.267 209 N C -1.416 174.239 175.510 0.243 0.000 1.222 209 N CA 0.288 53.443 53.050 0.174 0.000 0.930 209 N CB -0.080 38.476 38.487 0.115 0.000 1.083 209 N HN 0.539 nan 8.380 nan 0.000 0.476 210 Y N 1.671 122.026 120.300 0.092 0.000 2.492 210 Y HA 0.539 5.326 4.550 0.394 0.000 0.346 210 Y C -0.816 175.130 175.900 0.076 0.000 0.997 210 Y CA -0.668 57.477 58.100 0.075 0.000 1.025 210 Y CB 1.896 40.392 38.460 0.062 0.000 1.263 210 Y HN 0.353 nan 8.280 nan 0.000 0.454 211 T N 5.151 119.220 114.554 -0.809 0.000 3.105 211 T HA 0.223 4.802 4.350 0.382 0.000 0.321 211 T C -1.823 172.416 174.700 -0.769 0.000 1.135 211 T CA -0.699 61.074 62.100 -0.545 0.000 1.053 211 T CB 1.050 69.828 68.868 -0.150 0.000 1.133 211 T HN 0.812 nan 8.240 nan 0.000 0.463 212 E N 3.970 123.942 120.200 -0.379 0.000 2.259 212 E HA 0.460 5.039 4.350 0.382 0.000 0.281 212 E C -1.365 175.327 176.600 0.153 0.000 1.027 212 E CA -0.584 55.763 56.400 -0.089 0.000 0.838 212 E CB 0.623 30.384 29.700 0.102 0.000 1.066 212 E HN 0.471 nan 8.360 nan 0.000 0.401 213 F N 3.537 123.542 119.950 0.092 0.000 2.482 213 F HA 0.370 5.100 4.527 0.338 0.000 0.331 213 F C -0.667 175.367 175.800 0.391 0.000 1.115 213 F CA -0.488 57.662 58.000 0.250 0.000 0.955 213 F CB 1.922 41.061 39.000 0.232 0.000 1.136 213 F HN 0.316 nan 8.300 nan 0.000 0.452 214 T N 3.446 117.671 114.554 -0.549 0.000 2.824 214 T HA 0.573 5.152 4.350 0.382 0.000 0.282 214 T C -0.310 173.835 174.700 -0.927 0.000 0.993 214 T CA -0.346 61.463 62.100 -0.485 0.000 0.967 214 T CB 0.906 69.762 68.868 -0.019 0.000 0.960 214 T HN 0.827 nan 8.240 nan 0.000 0.441 215 T N 3.131 117.337 114.554 -0.580 0.000 2.882 215 T HA 0.371 4.950 4.350 0.382 0.000 0.287 215 T C -1.685 172.943 174.700 -0.121 0.000 1.014 215 T CA -1.531 60.419 62.100 -0.251 0.000 1.049 215 T CB 0.449 69.371 68.868 0.092 0.000 1.001 215 T HN 0.349 nan 8.240 nan 0.000 0.525 216 P HA -0.098 nan 4.420 nan 0.000 0.220 216 P C 0.749 178.041 177.300 -0.013 0.000 1.144 216 P CA 1.138 64.231 63.100 -0.012 0.000 0.800 216 P CB -0.061 31.649 31.700 0.016 0.000 0.772 217 D N -1.904 118.504 120.400 0.014 0.000 2.491 217 D HA 0.166 5.035 4.640 0.382 0.000 0.228 217 D C 0.950 177.217 176.300 -0.054 0.000 1.183 217 D CA -0.320 53.695 54.000 0.024 0.000 0.827 217 D CB -1.138 39.719 40.800 0.096 0.000 0.989 217 D HN 0.096 nan 8.370 nan 0.000 0.494 218 G N 0.724 109.422 108.800 -0.171 0.000 2.246 218 G HA2 -0.277 3.912 3.960 0.382 0.000 0.273 218 G HA3 -0.277 3.912 3.960 0.382 0.000 0.273 218 G C -0.602 173.844 174.900 -0.757 0.000 1.055 218 G CA -0.042 44.803 45.100 -0.425 0.000 0.851 218 G HN 0.615 nan 8.290 nan 0.000 0.500 219 H N -0.876 117.907 119.070 -0.480 0.000 2.541 219 H HA 0.543 5.326 4.556 0.378 0.000 0.316 219 H C -0.177 174.815 175.328 -0.560 0.000 1.043 219 H CA -0.491 55.266 56.048 -0.485 0.000 1.232 219 H CB 0.556 30.224 29.762 -0.156 0.000 1.406 219 H HN 0.305 nan 8.280 nan 0.000 0.469 220 Y N 2.698 122.856 120.300 -0.236 0.000 2.304 220 Y HA 0.303 5.076 4.550 0.373 0.000 0.328 220 Y C -0.418 175.270 175.900 -0.354 0.000 1.123 220 Y CA -0.421 57.566 58.100 -0.188 0.000 1.218 220 Y CB 0.372 38.769 38.460 -0.105 0.000 1.207 220 Y HN 0.550 nan 8.280 nan 0.000 0.495 221 Y N 0.148 120.622 120.300 0.291 0.000 2.553 221 Y HA 0.335 5.111 4.550 0.377 0.000 0.347 221 Y C -0.732 175.267 175.900 0.165 0.000 1.019 221 Y CA -1.498 56.746 58.100 0.240 0.000 1.032 221 Y CB 1.586 40.209 38.460 0.273 0.000 1.284 221 Y HN 0.441 nan 8.280 nan 0.000 0.466 222 D N 2.592 123.166 120.400 0.290 0.000 2.359 222 D HA 0.340 5.209 4.640 0.382 0.000 0.230 222 D C -0.711 175.608 176.300 0.031 0.000 1.118 222 D CA -0.034 54.094 54.000 0.213 0.000 0.844 222 D CB 0.736 41.705 40.800 0.282 0.000 1.059 222 D HN 0.226 nan 8.370 nan 0.000 0.493 223 I N 3.316 123.743 120.570 -0.239 0.000 2.321 223 I HA 0.346 4.745 4.170 0.382 0.000 0.291 223 I C -0.174 175.832 176.117 -0.186 0.000 0.998 223 I CA -0.787 60.290 61.300 -0.372 0.000 1.227 223 I CB 0.879 38.396 38.000 -0.805 0.000 1.368 223 I HN 0.128 nan 8.210 nan 0.000 0.466 224 L N 5.980 127.189 121.223 -0.023 0.000 2.381 224 L HA 0.500 5.069 4.340 0.382 0.000 0.268 224 L C -0.273 176.626 176.870 0.049 0.000 0.997 224 L CA -0.368 54.509 54.840 0.062 0.000 0.818 224 L CB 1.994 44.061 42.059 0.013 0.000 1.310 224 L HN 0.648 nan 8.230 nan 0.000 0.416 225 E N 3.585 123.785 120.200 0.000 0.000 2.176 225 E HA 0.580 5.159 4.350 0.382 0.000 0.267 225 E C -1.805 174.727 176.600 -0.114 0.000 0.893 225 E CA -0.644 55.611 56.400 -0.242 0.000 0.761 225 E CB 1.235 30.726 29.700 -0.349 0.000 1.133 225 E HN 0.523 nan 8.360 nan 0.000 0.409 226 L N 6.580 127.717 121.223 -0.143 0.000 2.353 226 L HA 0.430 4.999 4.340 0.382 0.000 0.270 226 L C -2.428 174.423 176.870 -0.031 0.000 1.003 226 L CA -1.903 52.902 54.840 -0.058 0.000 0.862 226 L CB 1.434 43.393 42.059 -0.166 0.000 1.221 226 L HN 0.436 nan 8.230 nan 0.000 0.430 227 P HA 0.219 nan 4.420 nan 0.000 0.275 227 P C -1.098 176.268 177.300 0.110 0.000 1.228 227 P CA -0.156 62.956 63.100 0.020 0.000 0.786 227 P CB 0.482 32.194 31.700 0.020 0.000 0.927 228 Y N -0.194 120.216 120.300 0.183 0.000 2.480 228 Y HA 0.271 5.050 4.550 0.382 0.000 0.323 228 Y C 1.350 177.295 175.900 0.075 0.000 1.267 228 Y CA -0.236 57.946 58.100 0.137 0.000 1.336 228 Y CB -0.207 38.256 38.460 0.005 0.000 1.361 228 Y HN 0.494 nan 8.280 nan 0.000 0.518 229 H N -0.544 118.707 119.070 0.301 0.000 3.195 229 H HA 0.239 5.025 4.556 0.383 0.000 0.302 229 H C 1.091 176.511 175.328 0.154 0.000 0.950 229 H CA 0.279 56.442 56.048 0.193 0.000 1.398 229 H CB -0.245 29.616 29.762 0.165 0.000 1.377 229 H HN 0.839 nan 8.280 nan 0.000 0.572 230 G N 2.800 111.710 108.800 0.184 0.000 2.184 230 G HA2 -0.399 3.791 3.960 0.382 0.000 0.264 230 G HA3 -0.399 3.791 3.960 0.382 0.000 0.264 230 G C 0.503 175.396 174.900 -0.012 0.000 0.975 230 G CA 0.450 45.607 45.100 0.094 0.000 0.642 230 G HN 0.958 nan 8.290 nan 0.000 0.536 231 D N -2.166 118.223 120.400 -0.018 0.000 3.079 231 D HA -0.181 4.688 4.640 0.382 0.000 0.214 231 D C 1.362 177.581 176.300 -0.136 0.000 1.145 231 D CA 2.464 56.436 54.000 -0.047 0.000 0.958 231 D CB -1.643 39.136 40.800 -0.036 0.000 1.117 231 D HN 0.788 nan 8.370 nan 0.000 0.416 232 T N -1.225 113.181 114.554 -0.246 0.000 2.737 232 T HA 0.009 4.588 4.350 0.382 0.000 0.265 232 T C 1.003 175.490 174.700 -0.356 0.000 1.038 232 T CA 0.916 62.735 62.100 -0.468 0.000 1.144 232 T CB 0.168 68.519 68.868 -0.862 0.000 0.866 232 T HN 0.270 nan 8.240 nan 0.000 0.434 233 L N 0.875 122.008 121.223 -0.151 0.000 2.330 233 L HA 0.638 5.207 4.340 0.382 0.000 0.271 233 L C -0.609 176.420 176.870 0.266 0.000 1.013 233 L CA -0.875 54.032 54.840 0.113 0.000 0.816 233 L CB 2.209 44.416 42.059 0.248 0.000 1.287 233 L HN 0.021 nan 8.230 nan 0.000 0.435 234 S N 2.351 118.216 115.700 0.276 0.000 2.619 234 S HA 0.471 5.170 4.470 0.382 0.000 0.280 234 S C -0.825 173.872 174.600 0.161 0.000 1.150 234 S CA -0.565 57.700 58.200 0.109 0.000 0.978 234 S CB 1.963 65.092 63.200 -0.119 0.000 1.041 234 S HN 0.594 nan 8.310 nan 0.000 0.485 235 M N 4.417 124.088 119.600 0.119 0.000 2.080 235 M HA 0.535 5.244 4.480 0.382 0.000 0.350 235 M C -1.813 174.553 176.300 0.110 0.000 1.173 235 M CA -0.370 55.111 55.300 0.302 0.000 1.052 235 M CB 0.093 32.983 32.600 0.484 0.000 1.577 235 M HN 0.544 nan 8.290 nan 0.000 0.455 236 F N 5.263 125.416 119.950 0.337 0.000 2.399 236 F HA 0.534 5.295 4.527 0.391 0.000 0.334 236 F C -0.061 175.896 175.800 0.262 0.000 1.097 236 F CA -0.360 57.795 58.000 0.259 0.000 1.076 236 F CB 1.148 40.342 39.000 0.324 0.000 1.162 236 F HN 0.415 nan 8.300 nan 0.000 0.495 237 I N 2.727 123.475 120.570 0.296 0.000 2.439 237 I HA 0.440 4.839 4.170 0.382 0.000 0.285 237 I C -0.703 175.467 176.117 0.090 0.000 1.021 237 I CA -0.781 60.661 61.300 0.237 0.000 1.091 237 I CB 1.641 39.691 38.000 0.084 0.000 1.242 237 I HN 0.632 nan 8.210 nan 0.000 0.439 238 A N 5.787 128.688 122.820 0.136 0.000 2.273 238 A HA 0.824 5.373 4.320 0.382 0.000 0.320 238 A C -0.184 177.549 177.584 0.249 0.000 1.358 238 A CA -0.400 51.659 52.037 0.038 0.000 0.910 238 A CB 0.564 19.527 19.000 -0.063 0.000 1.159 238 A HN 0.753 nan 8.150 nan 0.000 0.526 239 A N 5.074 128.047 122.820 0.255 0.000 2.310 239 A HA 0.780 5.329 4.320 0.382 0.000 0.304 239 A C -2.909 174.877 177.584 0.337 0.000 1.231 239 A CA -1.688 50.523 52.037 0.289 0.000 0.799 239 A CB 0.982 20.042 19.000 0.100 0.000 1.162 239 A HN 0.554 nan 8.150 nan 0.000 0.486 240 P HA 0.061 nan 4.420 nan 0.000 0.282 240 P C -0.939 176.497 177.300 0.228 0.000 1.274 240 P CA 0.055 63.265 63.100 0.184 0.000 0.770 240 P CB 0.719 32.484 31.700 0.109 0.000 0.867 241 Y N 2.779 123.093 120.300 0.023 0.000 2.811 241 Y HA 0.311 5.088 4.550 0.380 0.000 0.330 241 Y C 0.189 176.076 175.900 -0.022 0.000 1.081 241 Y CA -1.178 56.923 58.100 0.002 0.000 1.408 241 Y CB -0.090 38.373 38.460 0.005 0.000 1.235 241 Y HN 0.398 nan 8.280 nan 0.000 0.529 242 E N 1.223 121.444 120.200 0.035 0.000 2.260 242 E HA 0.220 4.799 4.350 0.382 0.000 0.266 242 E C -0.997 175.595 176.600 -0.012 0.000 0.887 242 E CA -0.741 55.610 56.400 -0.081 0.000 0.777 242 E CB 1.236 30.902 29.700 -0.057 0.000 1.205 242 E HN 0.104 nan 8.360 nan 0.000 0.414 243 K N 2.863 123.239 120.400 -0.038 0.000 2.436 243 K HA -0.047 4.502 4.320 0.382 0.000 0.275 243 K C -0.476 176.128 176.600 0.006 0.000 0.999 243 K CA 0.744 57.030 56.287 -0.002 0.000 0.980 243 K CB 0.364 32.848 32.500 -0.028 0.000 0.919 243 K HN 0.661 nan 8.250 nan 0.000 0.484 244 E N -0.208 120.010 120.200 0.031 0.000 2.919 244 E HA -0.133 4.446 4.350 0.382 0.000 0.299 244 E C -1.263 175.369 176.600 0.054 0.000 0.951 244 E CA 0.217 56.638 56.400 0.036 0.000 0.952 244 E CB -1.669 28.042 29.700 0.019 0.000 1.465 244 E HN 0.237 nan 8.360 nan 0.000 0.407 245 V N 2.192 122.147 119.914 0.068 0.000 2.376 245 V HA 0.306 4.655 4.120 0.382 0.000 0.287 245 V C -1.532 174.626 176.094 0.108 0.000 1.015 245 V CA -1.361 60.995 62.300 0.094 0.000 0.834 245 V CB 1.447 33.294 31.823 0.040 0.000 1.001 245 V HN 0.029 nan 8.190 nan 0.000 0.428 246 P HA 0.125 nan 4.420 nan 0.000 0.268 246 P C 0.548 177.949 177.300 0.167 0.000 1.204 246 P CA -0.215 62.929 63.100 0.073 0.000 0.768 246 P CB 1.410 33.105 31.700 -0.008 0.000 0.842 247 L N 2.567 123.893 121.223 0.172 0.000 2.240 247 L HA -0.103 4.466 4.340 0.382 0.000 0.211 247 L C 2.618 179.547 176.870 0.098 0.000 1.106 247 L CA 1.940 56.903 54.840 0.206 0.000 0.793 247 L CB -1.978 40.174 42.059 0.155 0.000 0.927 247 L HN 0.473 nan 8.230 nan 0.000 0.446 248 S N 0.510 116.234 115.700 0.040 0.000 2.402 248 S HA -0.207 4.492 4.470 0.382 0.000 0.233 248 S C 2.147 176.735 174.600 -0.020 0.000 1.030 248 S CA 1.032 59.224 58.200 -0.014 0.000 1.003 248 S CB -0.552 62.621 63.200 -0.044 0.000 0.813 248 S HN 0.355 nan 8.310 nan 0.000 0.477 249 A N 1.011 123.815 122.820 -0.027 0.000 2.076 249 A HA 0.144 4.693 4.320 0.382 0.000 0.220 249 A C 2.197 179.813 177.584 0.053 0.000 1.160 249 A CA 1.309 53.303 52.037 -0.071 0.000 0.653 249 A CB -0.522 18.269 19.000 -0.349 0.000 0.801 249 A HN 0.581 nan 8.150 nan 0.000 0.455 250 L N -1.287 119.953 121.223 0.027 0.000 2.347 250 L HA -0.036 4.533 4.340 0.382 0.000 0.196 250 L C 2.954 179.828 176.870 0.008 0.000 1.072 250 L CA 1.440 56.270 54.840 -0.018 0.000 0.817 250 L CB -0.378 41.473 42.059 -0.347 0.000 1.029 250 L HN 0.570 nan 8.230 nan 0.000 0.478 251 T N -2.475 112.087 114.554 0.014 0.000 2.822 251 T HA -0.175 4.404 4.350 0.382 0.000 0.270 251 T C 1.360 176.071 174.700 0.018 0.000 1.064 251 T CA 1.528 63.662 62.100 0.058 0.000 1.131 251 T CB -0.471 68.463 68.868 0.111 0.000 0.858 251 T HN 0.225 nan 8.240 nan 0.000 0.483 252 N N 1.400 120.095 118.700 -0.009 0.000 2.521 252 N HA 0.179 5.148 4.740 0.382 0.000 0.188 252 N C 1.527 177.026 175.510 -0.018 0.000 1.146 252 N CA 0.883 53.917 53.050 -0.027 0.000 0.893 252 N CB -0.050 38.413 38.487 -0.039 0.000 0.975 252 N HN 0.853 nan 8.380 nan 0.000 0.451 253 I N -4.199 116.367 120.570 -0.007 0.000 4.526 253 I HA 0.258 4.657 4.170 0.382 0.000 0.330 253 I C 0.096 176.176 176.117 -0.061 0.000 1.323 253 I CA -0.308 60.984 61.300 -0.013 0.000 1.218 253 I CB 0.289 38.309 38.000 0.033 0.000 1.233 253 I HN -0.234 nan 8.210 nan 0.000 0.430 254 L N 3.601 124.779 121.223 -0.074 0.000 2.601 254 L HA 0.069 4.638 4.340 0.382 0.000 0.277 254 L C 0.372 177.150 176.870 -0.153 0.000 1.219 254 L CA 0.771 55.521 54.840 -0.151 0.000 0.915 254 L CB 0.365 42.363 42.059 -0.102 0.000 1.160 254 L HN 0.658 nan 8.230 nan 0.000 0.494 255 S N 2.061 117.626 115.700 -0.225 0.000 2.671 255 S HA 0.622 5.321 4.470 0.382 0.000 0.277 255 S C 0.417 174.889 174.600 -0.214 0.000 1.165 255 S CA -0.324 57.766 58.200 -0.182 0.000 0.822 255 S CB 1.478 64.588 63.200 -0.149 0.000 1.150 255 S HN 0.554 nan 8.310 nan 0.000 0.479 256 A N 0.321 123.065 122.820 -0.128 0.000 1.969 256 A HA -0.039 4.510 4.320 0.382 0.000 0.218 256 A C 2.065 179.614 177.584 -0.058 0.000 1.169 256 A CA 1.348 53.359 52.037 -0.044 0.000 0.635 256 A CB -0.927 18.183 19.000 0.182 0.000 0.810 256 A HN 0.686 nan 8.150 nan 0.000 0.445 257 Q N -0.856 118.942 119.800 -0.003 0.000 2.170 257 Q HA -0.133 4.436 4.340 0.382 0.000 0.203 257 Q C 2.017 177.908 176.000 -0.182 0.000 0.976 257 Q CA 1.319 57.105 55.803 -0.027 0.000 0.858 257 Q CB -0.405 28.347 28.738 0.024 0.000 0.907 257 Q HN 0.601 nan 8.270 nan 0.000 0.433 258 L N 0.129 121.145 121.223 -0.345 0.000 2.056 258 L HA -0.124 4.445 4.340 0.382 0.000 0.207 258 L C 1.951 178.198 176.870 -1.038 0.000 1.078 258 L CA 1.344 55.795 54.840 -0.649 0.000 0.749 258 L CB -0.561 41.054 42.059 -0.739 0.000 0.901 258 L HN 0.085 nan 8.230 nan 0.000 0.433 259 I N -0.778 119.231 120.570 -0.934 0.000 2.226 259 I HA -0.247 4.152 4.170 0.382 0.000 0.245 259 I C 2.560 178.390 176.117 -0.477 0.000 1.100 259 I CA 1.436 62.172 61.300 -0.940 0.000 1.374 259 I CB -0.842 36.761 38.000 -0.662 0.000 1.057 259 I HN 0.149 nan 8.210 nan 0.000 0.413 260 S N -0.906 114.629 115.700 -0.275 0.000 2.400 260 S HA -0.247 4.452 4.470 0.382 0.000 0.232 260 S C 2.120 176.681 174.600 -0.064 0.000 1.025 260 S CA 1.121 59.256 58.200 -0.109 0.000 0.993 260 S CB -0.557 62.604 63.200 -0.065 0.000 0.808 260 S HN 0.539 nan 8.310 nan 0.000 0.478 261 H N -0.573 118.366 119.070 -0.218 0.000 2.353 261 H HA -0.127 4.479 4.556 0.084 0.000 0.300 261 H C 1.815 177.163 175.328 0.034 0.000 1.090 261 H CA 1.785 57.765 56.048 -0.113 0.000 1.327 261 H CB -0.138 29.510 29.762 -0.189 0.000 1.383 261 H HN 0.440 nan 8.280 nan 0.000 0.508 262 W N 1.553 122.786 121.300 -0.112 0.000 2.353 262 W HA -0.113 4.766 4.660 0.365 0.000 0.319 262 W C 2.638 179.120 176.519 -0.062 0.000 1.207 262 W CA 0.719 57.987 57.345 -0.128 0.000 1.291 262 W CB -0.885 28.454 29.460 -0.202 0.000 1.159 262 W HN 0.210 nan 8.180 nan 0.000 0.478 263 K N -0.525 120.010 120.400 0.225 0.000 2.089 263 K HA -0.160 4.389 4.320 0.382 0.000 0.210 263 K C 2.166 178.833 176.600 0.110 0.000 1.048 263 K CA 1.759 58.172 56.287 0.211 0.000 0.926 263 K CB -1.005 31.612 32.500 0.196 0.000 0.714 263 K HN 0.190 nan 8.250 nan 0.000 0.448 264 G N 0.332 109.157 108.800 0.042 0.000 2.776 264 G HA2 -0.150 4.039 3.960 0.382 0.000 0.209 264 G HA3 -0.150 4.039 3.960 0.382 0.000 0.209 264 G C 1.014 175.907 174.900 -0.012 0.000 1.145 264 G CA 0.312 45.415 45.100 0.005 0.000 0.791 264 G HN 0.234 nan 8.290 nan 0.000 0.530 265 N N -0.405 118.292 118.700 -0.005 0.000 2.197 265 N HA 0.151 5.120 4.740 0.382 0.000 0.201 265 N C 0.854 176.391 175.510 0.044 0.000 1.148 265 N CA -0.168 52.882 53.050 -0.000 0.000 0.883 265 N CB 0.424 38.889 38.487 -0.036 0.000 1.012 265 N HN 0.182 nan 8.380 nan 0.000 0.507 266 M N 0.892 120.537 119.600 0.075 0.000 2.219 266 M HA 0.082 4.791 4.480 0.382 0.000 0.307 266 M C 0.093 176.448 176.300 0.092 0.000 1.116 266 M CA 1.049 56.405 55.300 0.092 0.000 1.181 266 M CB 0.169 32.850 32.600 0.135 0.000 1.410 266 M HN -0.171 nan 8.290 nan 0.000 0.454 267 T N 1.291 115.917 114.554 0.119 0.000 3.291 267 T HA 0.260 4.839 4.350 0.382 0.000 0.344 267 T C -0.694 174.087 174.700 0.134 0.000 1.293 267 T CA -0.817 61.350 62.100 0.112 0.000 1.108 267 T CB 1.555 70.492 68.868 0.115 0.000 1.231 267 T HN 0.521 nan 8.240 nan 0.000 0.474 268 R N 2.736 123.289 120.500 0.090 0.000 2.309 268 R HA 0.326 4.895 4.340 0.382 0.000 0.331 268 R C -0.615 175.724 176.300 0.065 0.000 1.116 268 R CA -0.567 55.578 56.100 0.075 0.000 0.970 268 R CB 0.195 30.508 30.300 0.023 0.000 1.024 268 R HN 0.244 nan 8.270 nan 0.000 0.472 269 L N 5.871 127.151 121.223 0.095 0.000 2.295 269 L HA 0.369 4.938 4.340 0.382 0.000 0.285 269 L C -1.938 174.960 176.870 0.045 0.000 1.035 269 L CA -2.674 52.199 54.840 0.054 0.000 0.806 269 L CB 1.435 43.510 42.059 0.026 0.000 1.214 269 L HN 0.328 nan 8.230 nan 0.000 0.426 270 P HA 0.179 nan 4.420 nan 0.000 0.268 270 P C -0.470 176.853 177.300 0.038 0.000 1.282 270 P CA -0.187 62.911 63.100 -0.003 0.000 0.880 270 P CB 0.600 32.286 31.700 -0.024 0.000 0.971 271 R N 2.603 123.190 120.500 0.145 0.000 2.888 271 R HA 0.551 5.120 4.340 0.382 0.000 0.266 271 R C -0.553 175.893 176.300 0.243 0.000 1.020 271 R CA -1.357 54.835 56.100 0.154 0.000 0.963 271 R CB 1.285 31.645 30.300 0.101 0.000 1.197 271 R HN 0.326 nan 8.270 nan 0.000 0.481 272 L N 2.382 123.668 121.223 0.106 0.000 2.283 272 L HA 0.384 4.954 4.340 0.382 0.000 0.281 272 L C -1.085 175.788 176.870 0.004 0.000 1.033 272 L CA -0.616 54.283 54.840 0.099 0.000 0.848 272 L CB 0.637 42.721 42.059 0.042 0.000 1.226 272 L HN 0.483 nan 8.230 nan 0.000 0.429 273 L N 6.149 127.342 121.223 -0.050 0.000 2.350 273 L HA 0.676 5.245 4.340 0.382 0.000 0.275 273 L C -0.887 175.960 176.870 -0.038 0.000 1.099 273 L CA 0.067 54.751 54.840 -0.260 0.000 0.808 273 L CB 1.575 43.155 42.059 -0.797 0.000 1.149 273 L HN 0.402 nan 8.230 nan 0.000 0.442 274 V N 6.431 126.303 119.914 -0.070 0.000 2.419 274 V HA 0.443 4.792 4.120 0.382 0.000 0.287 274 V C -0.745 175.290 176.094 -0.098 0.000 1.017 274 V CA -0.470 61.831 62.300 0.001 0.000 0.844 274 V CB 1.258 33.112 31.823 0.053 0.000 1.011 274 V HN 0.700 nan 8.190 nan 0.000 0.429 275 L N 8.605 129.742 121.223 -0.143 0.000 2.365 275 L HA 0.837 5.406 4.340 0.382 0.000 0.273 275 L C -2.523 174.272 176.870 -0.125 0.000 1.000 275 L CA -1.904 52.814 54.840 -0.203 0.000 0.819 275 L CB 2.685 44.554 42.059 -0.316 0.000 1.284 275 L HN 0.344 nan 8.230 nan 0.000 0.418 276 P HA 0.203 nan 4.420 nan 0.000 0.278 276 P C -1.675 175.731 177.300 0.177 0.000 1.238 276 P CA -0.460 62.698 63.100 0.097 0.000 0.794 276 P CB 0.560 32.367 31.700 0.178 0.000 0.955 277 K N 2.773 123.216 120.400 0.071 0.000 2.201 277 K HA 0.591 5.140 4.320 0.382 0.000 0.278 277 K C -0.446 176.237 176.600 0.137 0.000 1.027 277 K CA -0.514 55.781 56.287 0.013 0.000 0.909 277 K CB 0.297 32.759 32.500 -0.064 0.000 1.062 277 K HN 0.395 nan 8.250 nan 0.000 0.465 278 F N -1.591 118.349 119.950 -0.017 0.000 2.578 278 F HA 0.533 5.289 4.527 0.381 0.000 0.311 278 F C -1.033 174.749 175.800 -0.030 0.000 1.094 278 F CA -1.193 56.789 58.000 -0.030 0.000 0.923 278 F CB 2.132 41.116 39.000 -0.028 0.000 1.230 278 F HN 0.350 nan 8.300 nan 0.000 0.450 279 S N 3.870 119.629 115.700 0.099 0.000 2.653 279 S HA 0.685 5.384 4.470 0.382 0.000 0.272 279 S C -0.846 173.826 174.600 0.118 0.000 1.221 279 S CA -0.518 57.706 58.200 0.040 0.000 1.149 279 S CB 0.377 63.586 63.200 0.014 0.000 1.029 279 S HN 0.577 nan 8.310 nan 0.000 0.481 280 L N 3.075 124.400 121.223 0.170 0.000 2.333 280 L HA 0.698 5.267 4.340 0.382 0.000 0.269 280 L C -0.087 176.885 176.870 0.169 0.000 1.010 280 L CA -0.834 54.113 54.840 0.179 0.000 0.818 280 L CB 1.867 44.066 42.059 0.232 0.000 1.306 280 L HN 0.552 nan 8.230 nan 0.000 0.430 281 E N 0.219 120.513 120.200 0.157 0.000 2.314 281 E HA 0.689 5.268 4.350 0.382 0.000 0.272 281 E C -1.188 175.510 176.600 0.163 0.000 0.884 281 E CA -0.845 55.653 56.400 0.163 0.000 0.753 281 E CB 2.385 32.171 29.700 0.144 0.000 1.213 281 E HN 0.516 nan 8.360 nan 0.000 0.432 282 T N -0.489 114.176 114.554 0.184 0.000 3.032 282 T HA 0.385 4.964 4.350 0.382 0.000 0.312 282 T C -1.020 173.787 174.700 0.178 0.000 1.078 282 T CA -0.884 61.323 62.100 0.178 0.000 1.028 282 T CB 1.720 70.713 68.868 0.209 0.000 1.091 282 T HN 0.597 nan 8.240 nan 0.000 0.457 283 E N 2.648 122.936 120.200 0.147 0.000 2.151 283 E HA 0.608 5.188 4.350 0.382 0.000 0.275 283 E C -1.234 175.446 176.600 0.133 0.000 0.936 283 E CA -0.897 55.583 56.400 0.134 0.000 0.777 283 E CB 1.454 31.217 29.700 0.105 0.000 1.108 283 E HN 0.605 nan 8.360 nan 0.000 0.401 284 V N 4.244 124.252 119.914 0.156 0.000 2.495 284 V HA 0.156 4.506 4.120 0.382 0.000 0.298 284 V C -0.319 175.848 176.094 0.122 0.000 1.031 284 V CA -0.928 61.468 62.300 0.160 0.000 0.871 284 V CB 1.727 33.723 31.823 0.288 0.000 0.988 284 V HN 0.720 nan 8.190 nan 0.000 0.432 285 D N 4.019 124.462 120.400 0.071 0.000 2.365 285 D HA 0.232 5.101 4.640 0.382 0.000 0.237 285 D C 0.857 177.179 176.300 0.036 0.000 1.190 285 D CA -0.094 53.928 54.000 0.036 0.000 0.867 285 D CB 1.454 42.245 40.800 -0.014 0.000 1.050 285 D HN 0.477 nan 8.370 nan 0.000 0.491 286 L N 3.735 125.014 121.223 0.094 0.000 2.551 286 L HA -0.020 4.549 4.340 0.382 0.000 0.228 286 L C 2.462 179.356 176.870 0.040 0.000 1.153 286 L CA 0.135 55.057 54.840 0.137 0.000 0.851 286 L CB -0.270 41.933 42.059 0.240 0.000 0.959 286 L HN 0.392 nan 8.230 nan 0.000 0.451 287 R N 1.300 121.661 120.500 -0.232 0.000 2.148 287 R HA -0.242 4.327 4.340 0.382 0.000 0.230 287 R C 2.232 178.204 176.300 -0.546 0.000 1.120 287 R CA 2.073 57.593 56.100 -0.967 0.000 0.902 287 R CB -0.140 29.519 30.300 -1.070 0.000 0.839 287 R HN 0.168 nan 8.270 nan 0.000 0.431 288 K N -0.399 119.804 120.400 -0.329 0.000 2.044 288 K HA -0.133 4.416 4.320 0.382 0.000 0.210 288 K C -0.599 175.935 176.600 -0.109 0.000 1.049 288 K CA 2.093 58.267 56.287 -0.188 0.000 0.927 288 K CB -0.909 31.506 32.500 -0.142 0.000 0.713 288 K HN 0.312 nan 8.250 nan 0.000 0.443 289 P HA -0.171 nan 4.420 nan 0.000 0.215 289 P C 1.179 178.476 177.300 -0.004 0.000 1.157 289 P CA 1.252 64.314 63.100 -0.063 0.000 0.874 289 P CB 0.064 31.734 31.700 -0.050 0.000 0.790 290 L N -0.852 120.422 121.223 0.084 0.000 2.201 290 L HA -0.137 4.433 4.340 0.382 0.000 0.212 290 L C 2.292 179.278 176.870 0.193 0.000 1.105 290 L CA 1.342 56.305 54.840 0.206 0.000 0.775 290 L CB -0.759 41.555 42.059 0.425 0.000 0.913 290 L HN 0.057 nan 8.230 nan 0.000 0.440 291 E N 0.100 120.377 120.200 0.128 0.000 2.072 291 E HA -0.154 4.425 4.350 0.382 0.000 0.191 291 E C 1.553 178.183 176.600 0.050 0.000 0.985 291 E CA 0.770 57.233 56.400 0.104 0.000 0.801 291 E CB -0.056 29.658 29.700 0.024 0.000 0.750 291 E HN 0.457 nan 8.360 nan 0.000 0.452 292 N N 0.590 119.295 118.700 0.009 0.000 2.573 292 N HA -0.068 4.901 4.740 0.382 0.000 0.187 292 N C 1.220 176.727 175.510 -0.004 0.000 1.107 292 N CA 0.651 53.694 53.050 -0.012 0.000 0.918 292 N CB 0.213 38.674 38.487 -0.045 0.000 0.966 292 N HN 0.212 nan 8.380 nan 0.000 0.448 293 L N -1.084 120.154 121.223 0.024 0.000 2.640 293 L HA 0.232 4.801 4.340 0.382 0.000 0.230 293 L C 1.151 178.059 176.870 0.064 0.000 1.123 293 L CA 0.055 54.916 54.840 0.036 0.000 0.900 293 L CB 0.243 42.330 42.059 0.047 0.000 1.146 293 L HN 0.131 nan 8.230 nan 0.000 0.484 294 G N 0.281 109.118 108.800 0.061 0.000 2.176 294 G HA2 -0.269 3.920 3.960 0.382 0.000 0.232 294 G HA3 -0.269 3.920 3.960 0.382 0.000 0.232 294 G C 0.300 175.242 174.900 0.071 0.000 0.986 294 G CA -0.298 44.836 45.100 0.056 0.000 0.643 294 G HN 0.248 nan 8.290 nan 0.000 0.522 295 M N 2.766 122.433 119.600 0.113 0.000 3.347 295 M HA 0.301 5.010 4.480 0.382 0.000 0.260 295 M C 1.674 178.094 176.300 0.200 0.000 1.362 295 M CA 0.530 55.906 55.300 0.126 0.000 1.497 295 M CB 0.391 33.085 32.600 0.157 0.000 1.080 295 M HN 0.341 nan 8.290 nan 0.000 0.592 296 T N -3.719 110.921 114.554 0.142 0.000 3.021 296 T HA 0.015 4.594 4.350 0.382 0.000 0.245 296 T C 1.215 176.004 174.700 0.148 0.000 1.028 296 T CA 0.538 62.748 62.100 0.185 0.000 1.139 296 T CB 0.018 68.948 68.868 0.103 0.000 0.884 296 T HN 0.292 nan 8.240 nan 0.000 0.457 297 D N 2.633 123.059 120.400 0.042 0.000 2.149 297 D HA -0.168 4.701 4.640 0.382 0.000 0.194 297 D C 2.224 178.503 176.300 -0.035 0.000 1.001 297 D CA 1.897 55.889 54.000 -0.014 0.000 0.849 297 D CB -0.542 40.213 40.800 -0.075 0.000 0.939 297 D HN 0.665 nan 8.370 nan 0.000 0.449 298 M N -1.410 118.124 119.600 -0.110 0.000 2.195 298 M HA -0.145 4.564 4.480 0.382 0.000 0.260 298 M C 1.335 177.647 176.300 0.021 0.000 1.066 298 M CA 1.587 56.816 55.300 -0.119 0.000 1.089 298 M CB -0.654 31.797 32.600 -0.249 0.000 1.377 298 M HN -0.134 nan 8.290 nan 0.000 0.411 299 F N 0.928 120.980 119.950 0.171 0.000 2.765 299 F HA 0.322 5.078 4.527 0.381 0.000 0.302 299 F C 0.702 176.544 175.800 0.069 0.000 1.111 299 F CA -0.037 58.069 58.000 0.176 0.000 1.359 299 F CB -0.013 39.045 39.000 0.098 0.000 1.097 299 F HN 0.020 nan 8.300 nan 0.000 0.577 300 R N 0.810 121.374 120.500 0.107 0.000 2.265 300 R HA 0.137 4.706 4.340 0.382 0.000 0.319 300 R C 1.359 177.424 176.300 -0.393 0.000 1.006 300 R CA -0.302 55.726 56.100 -0.121 0.000 0.880 300 R CB 1.162 31.448 30.300 -0.024 0.000 1.077 300 R HN 0.192 nan 8.270 nan 0.000 0.454 301 Q N 2.041 121.380 119.800 -0.768 0.000 2.133 301 Q HA -0.214 4.355 4.340 0.382 0.000 0.208 301 Q C 0.294 175.850 176.000 -0.740 0.000 0.991 301 Q CA 2.098 57.288 55.803 -1.021 0.000 0.867 301 Q CB 0.146 28.208 28.738 -1.127 0.000 0.911 301 Q HN 0.599 nan 8.270 nan 0.000 0.417 302 F N -1.140 118.744 119.950 -0.110 0.000 2.694 302 F HA 0.193 4.949 4.527 0.382 0.000 0.292 302 F C 2.053 177.829 175.800 -0.040 0.000 1.121 302 F CA 0.007 57.976 58.000 -0.051 0.000 1.352 302 F CB 0.096 39.070 39.000 -0.043 0.000 1.107 302 F HN -0.009 nan 8.300 nan 0.000 0.597 303 Q N 0.783 120.637 119.800 0.090 0.000 2.212 303 Q HA 0.217 4.786 4.340 0.382 0.000 0.199 303 Q C 1.124 177.112 176.000 -0.019 0.000 0.950 303 Q CA 0.366 56.192 55.803 0.038 0.000 0.863 303 Q CB -0.068 28.684 28.738 0.024 0.000 0.944 303 Q HN 0.258 nan 8.270 nan 0.000 0.465 304 A N 1.936 124.740 122.820 -0.025 0.000 2.587 304 A HA -0.085 4.464 4.320 0.382 0.000 0.235 304 A C -0.134 177.355 177.584 -0.157 0.000 1.044 304 A CA 0.549 52.532 52.037 -0.090 0.000 0.754 304 A CB 0.106 19.205 19.000 0.165 0.000 0.968 304 A HN 0.153 nan 8.150 nan 0.000 0.509 305 D N 2.388 122.529 120.400 -0.431 0.000 2.408 305 D HA 0.408 5.277 4.640 0.382 0.000 0.261 305 D C -1.178 174.809 176.300 -0.522 0.000 1.190 305 D CA -0.163 53.640 54.000 -0.328 0.000 0.910 305 D CB 0.181 40.839 40.800 -0.236 0.000 1.097 305 D HN 0.324 nan 8.370 nan 0.000 0.522 306 F N 1.135 121.044 119.950 -0.068 0.000 2.850 306 F HA 0.083 4.839 4.527 0.381 0.000 0.306 306 F C 2.182 177.909 175.800 -0.123 0.000 1.162 306 F CA -0.257 57.678 58.000 -0.109 0.000 1.327 306 F CB 0.616 39.538 39.000 -0.130 0.000 0.953 306 F HN 0.175 nan 8.300 nan 0.000 0.507 307 T N -4.551 110.006 114.554 0.005 0.000 3.228 307 T HA -0.065 4.514 4.350 0.382 0.000 0.261 307 T C 1.779 176.461 174.700 -0.030 0.000 1.171 307 T CA 1.118 63.210 62.100 -0.013 0.000 1.056 307 T CB -0.149 68.709 68.868 -0.016 0.000 0.938 307 T HN 0.139 nan 8.240 nan 0.000 0.539 308 S N 0.055 115.728 115.700 -0.046 0.000 2.483 308 S HA 0.279 4.978 4.470 0.382 0.000 0.221 308 S C 1.418 175.874 174.600 -0.240 0.000 1.030 308 S CA -0.024 58.152 58.200 -0.041 0.000 0.925 308 S CB -0.004 63.221 63.200 0.042 0.000 0.795 308 S HN 0.421 nan 8.310 nan 0.000 0.511 309 L N 0.938 121.916 121.223 -0.408 0.000 2.116 309 L HA 0.377 4.946 4.340 0.382 0.000 0.200 309 L C 0.740 177.397 176.870 -0.355 0.000 1.084 309 L CA 1.334 55.707 54.840 -0.779 0.000 0.766 309 L CB -0.331 41.330 42.059 -0.665 0.000 0.930 309 L HN 0.143 nan 8.230 nan 0.000 0.453 310 S N -0.022 115.567 115.700 -0.184 0.000 2.542 310 S HA 0.224 4.923 4.470 0.382 0.000 0.245 310 S C -0.329 174.248 174.600 -0.038 0.000 1.325 310 S CA -0.671 57.474 58.200 -0.092 0.000 1.176 310 S CB -0.163 62.991 63.200 -0.078 0.000 1.045 310 S HN 0.371 nan 8.310 nan 0.000 0.481 311 D N 3.529 123.912 120.400 -0.028 0.000 2.856 311 D HA 0.209 5.078 4.640 0.382 0.000 0.242 311 D C 0.871 177.171 176.300 0.000 0.000 1.226 311 D CA 0.471 54.466 54.000 -0.008 0.000 0.855 311 D CB 0.149 40.946 40.800 -0.004 0.000 1.065 311 D HN 0.702 nan 8.370 nan 0.000 0.462 312 Q N -0.916 118.885 119.800 0.002 0.000 1.925 312 Q HA -0.010 4.559 4.340 0.382 0.000 0.211 312 Q C 1.109 177.118 176.000 0.015 0.000 0.698 312 Q CA -0.240 55.568 55.803 0.008 0.000 0.840 312 Q CB 0.680 29.421 28.738 0.005 0.000 1.218 312 Q HN 0.377 nan 8.270 nan 0.000 0.432 313 E N 3.108 123.316 120.200 0.013 0.000 3.375 313 E HA -0.197 4.382 4.350 0.382 0.000 0.415 313 E C -1.559 175.063 176.600 0.036 0.000 1.395 313 E CA 0.779 57.192 56.400 0.021 0.000 1.792 313 E CB -2.107 27.613 29.700 0.032 0.000 1.174 313 E HN 0.129 nan 8.360 nan 0.000 0.416 314 P HA 0.281 nan 4.420 nan 0.000 0.286 314 P C -0.660 176.687 177.300 0.079 0.000 1.269 314 P CA -0.097 63.050 63.100 0.078 0.000 0.787 314 P CB 0.820 32.584 31.700 0.107 0.000 0.920 315 L N 2.642 123.930 121.223 0.108 0.000 2.376 315 L HA 0.747 5.316 4.340 0.382 0.000 0.258 315 L C -0.869 176.146 176.870 0.242 0.000 1.013 315 L CA -0.714 54.180 54.840 0.090 0.000 0.822 315 L CB 2.587 44.617 42.059 -0.048 0.000 1.388 315 L HN 0.546 nan 8.230 nan 0.000 0.413 316 H N 0.034 119.089 119.070 -0.025 0.000 2.960 316 H HA 0.593 5.378 4.556 0.382 0.000 0.338 316 H C -1.379 173.813 175.328 -0.227 0.000 1.261 316 H CA -0.970 55.115 56.048 0.062 0.000 1.136 316 H CB 1.416 31.235 29.762 0.095 0.000 1.875 316 H HN 0.557 nan 8.280 nan 0.000 0.550 317 V N 1.271 121.043 119.914 -0.237 0.000 2.470 317 V HA 0.288 4.637 4.120 0.382 0.000 0.276 317 V C 1.271 177.235 176.094 -0.217 0.000 1.040 317 V CA 0.469 62.567 62.300 -0.336 0.000 1.008 317 V CB 0.333 32.000 31.823 -0.261 0.000 0.990 317 V HN 0.946 nan 8.190 nan 0.000 0.477 318 A N 5.223 127.831 122.820 -0.354 0.000 2.267 318 A HA 0.560 5.109 4.320 0.382 0.000 0.213 318 A C 0.171 177.711 177.584 -0.073 0.000 1.192 318 A CA 0.278 52.170 52.037 -0.241 0.000 0.851 318 A CB 0.179 18.944 19.000 -0.391 0.000 0.881 318 A HN 0.677 nan 8.150 nan 0.000 0.494 319 L N -1.251 119.950 121.223 -0.035 0.000 2.751 319 L HA 0.605 5.174 4.340 0.382 0.000 0.261 319 L C -1.233 175.680 176.870 0.071 0.000 0.927 319 L CA 0.069 54.922 54.840 0.021 0.000 0.968 319 L CB 1.325 43.354 42.059 -0.050 0.000 1.432 319 L HN 0.177 nan 8.230 nan 0.000 0.439 320 A N 6.002 128.919 122.820 0.162 0.000 2.311 320 A HA 0.887 5.436 4.320 0.382 0.000 0.306 320 A C -1.448 176.214 177.584 0.130 0.000 1.189 320 A CA -0.353 51.789 52.037 0.174 0.000 0.791 320 A CB 0.766 19.966 19.000 0.334 0.000 1.172 320 A HN 0.635 nan 8.150 nan 0.000 0.481 321 L N 0.972 122.251 121.223 0.094 0.000 2.309 321 L HA 0.742 5.311 4.340 0.382 0.000 0.261 321 L C -0.187 176.735 176.870 0.085 0.000 1.021 321 L CA -0.656 54.233 54.840 0.083 0.000 0.823 321 L CB 2.294 44.386 42.059 0.054 0.000 1.366 321 L HN 0.784 nan 8.230 nan 0.000 0.423 322 Q N 1.944 121.799 119.800 0.092 0.000 2.280 322 Q HA 0.352 4.921 4.340 0.382 0.000 0.259 322 Q C -1.798 174.264 176.000 0.103 0.000 0.964 322 Q CA -0.655 55.194 55.803 0.076 0.000 0.844 322 Q CB 2.731 31.484 28.738 0.026 0.000 1.334 322 Q HN 0.546 nan 8.270 nan 0.000 0.423 323 K N 2.441 122.906 120.400 0.108 0.000 2.259 323 K HA 0.729 5.278 4.320 0.382 0.000 0.252 323 K C -1.580 175.118 176.600 0.164 0.000 0.936 323 K CA -0.637 55.732 56.287 0.136 0.000 0.810 323 K CB 1.943 34.519 32.500 0.127 0.000 1.143 323 K HN 0.383 nan 8.250 nan 0.000 0.427 324 V N 3.922 123.953 119.914 0.195 0.000 2.668 324 V HA 0.341 4.691 4.120 0.382 0.000 0.304 324 V C -1.111 175.115 176.094 0.219 0.000 1.071 324 V CA -0.946 61.497 62.300 0.238 0.000 0.894 324 V CB 1.881 33.873 31.823 0.282 0.000 1.008 324 V HN 0.729 nan 8.190 nan 0.000 0.425 325 K N 5.300 125.824 120.400 0.208 0.000 2.307 325 K HA 0.748 5.298 4.320 0.382 0.000 0.263 325 K C -1.245 175.325 176.600 -0.050 0.000 0.973 325 K CA -0.470 55.916 56.287 0.164 0.000 0.846 325 K CB 2.264 34.963 32.500 0.333 0.000 1.100 325 K HN 0.521 nan 8.250 nan 0.000 0.438 326 I N 2.549 123.090 120.570 -0.049 0.000 2.545 326 I HA 0.253 4.652 4.170 0.382 0.000 0.292 326 I C -0.563 175.438 176.117 -0.193 0.000 1.040 326 I CA -0.627 60.571 61.300 -0.170 0.000 1.068 326 I CB 2.195 40.209 38.000 0.024 0.000 1.251 326 I HN 0.524 nan 8.210 nan 0.000 0.424 327 E N 5.254 125.237 120.200 -0.361 0.000 2.293 327 E HA 0.659 5.238 4.350 0.382 0.000 0.270 327 E C -1.503 174.805 176.600 -0.487 0.000 0.879 327 E CA -0.851 55.328 56.400 -0.370 0.000 0.756 327 E CB 3.531 33.069 29.700 -0.270 0.000 1.208 327 E HN 0.153 nan 8.360 nan 0.000 0.428 328 V N 2.936 122.485 119.914 -0.607 0.000 2.569 328 V HA 0.341 4.690 4.120 0.382 0.000 0.301 328 V C -0.879 175.049 176.094 -0.277 0.000 1.044 328 V CA -0.641 61.353 62.300 -0.510 0.000 0.874 328 V CB 1.376 32.597 31.823 -1.003 0.000 1.002 328 V HN 0.860 nan 8.190 nan 0.000 0.424 329 N N 2.328 121.019 118.700 -0.016 0.000 3.316 329 N HA 0.403 5.372 4.740 0.382 0.000 0.300 329 N C 0.685 176.355 175.510 0.266 0.000 1.567 329 N CA -0.748 52.325 53.050 0.038 0.000 0.821 329 N CB 0.634 39.118 38.487 -0.005 0.000 1.748 329 N HN 0.304 nan 8.380 nan 0.000 0.603 330 E N -0.443 119.873 120.200 0.193 0.000 2.118 330 E HA -0.151 4.429 4.350 0.382 0.000 0.195 330 E C -0.453 176.454 176.600 0.512 0.000 0.992 330 E CA 1.586 58.194 56.400 0.346 0.000 0.804 330 E CB -0.479 29.358 29.700 0.229 0.000 0.741 330 E HN 0.595 nan 8.360 nan 0.000 0.458 331 S N -0.451 115.435 115.700 0.310 0.000 4.017 331 S HA 0.054 4.753 4.470 0.382 0.000 0.565 331 S C 0.156 174.848 174.600 0.153 0.000 0.723 331 S CA 0.993 59.316 58.200 0.204 0.000 1.352 331 S CB -1.502 61.869 63.200 0.285 0.000 0.795 331 S HN 1.109 nan 8.310 nan 0.000 0.742 332 G N 0.950 109.807 108.800 0.095 0.000 2.419 332 G HA2 0.412 4.601 3.960 0.382 0.000 0.228 332 G HA3 0.412 4.601 3.960 0.382 0.000 0.228 332 G C 0.212 175.148 174.900 0.060 0.000 1.177 332 G CA 0.595 45.736 45.100 0.069 0.000 0.876 332 G HN 1.832 nan 8.290 nan 0.000 0.493 339 T N -0.281 114.288 114.554 0.025 0.000 0.541 339 T HA 0.379 4.958 4.350 0.382 0.000 0.774 339 T C 0.026 174.735 174.700 0.016 0.000 0.992 339 T CA 0.052 62.164 62.100 0.020 0.000 4.077 339 T CB -1.718 67.160 68.868 0.017 0.000 2.303 339 T HN 2.781 nan 8.240 nan 0.000 0.398 340 A N 1.395 124.223 122.820 0.013 0.000 2.549 340 A HA 0.748 5.297 4.320 0.382 0.000 0.291 340 A C 0.598 178.186 177.584 0.006 0.000 1.034 340 A CA -0.281 51.761 52.037 0.009 0.000 0.655 340 A CB 0.796 19.801 19.000 0.008 0.000 1.299 340 A HN 1.732 nan 8.150 nan 0.000 0.427 341 V N 0.188 120.105 119.914 0.004 0.000 2.500 341 V HA 0.154 4.503 4.120 0.382 0.000 0.243 341 V C 0.634 176.728 176.094 0.001 0.000 1.039 341 V CA 2.284 64.586 62.300 0.003 0.000 1.053 341 V CB -0.418 31.406 31.823 0.002 0.000 0.695 341 V HN 0.933 nan 8.190 nan 0.000 0.463 342 I N -2.695 117.874 120.570 -0.000 0.000 2.730 342 I HA 0.737 5.136 4.170 0.382 0.000 0.298 342 I C -0.963 175.151 176.117 -0.004 0.000 1.089 342 I CA -0.796 60.502 61.300 -0.003 0.000 1.041 342 I CB 2.096 40.094 38.000 -0.004 0.000 1.235 342 I HN -0.267 nan 8.210 nan 0.000 0.423 343 V N 3.539 123.448 119.914 -0.008 0.000 2.588 343 V HA 0.721 5.070 4.120 0.382 0.000 0.304 343 V C -0.140 175.945 176.094 -0.015 0.000 1.042 343 V CA -0.222 62.071 62.300 -0.011 0.000 0.877 343 V CB 1.587 33.400 31.823 -0.017 0.000 0.996 343 V HN 0.929 nan 8.190 nan 0.000 0.425 344 S N 2.170 117.861 115.700 -0.015 0.000 2.568 344 S HA 0.977 5.676 4.470 0.382 0.000 0.293 344 S C -0.350 174.237 174.600 -0.021 0.000 1.089 344 S CA -0.262 57.927 58.200 -0.017 0.000 0.945 344 S CB 2.124 65.315 63.200 -0.015 0.000 1.077 344 S HN 1.243 nan 8.310 nan 0.000 0.485 345 A N 1.502 124.308 122.820 -0.023 0.000 2.599 345 A HA 0.824 5.373 4.320 0.382 0.000 0.290 345 A C -1.439 176.128 177.584 -0.028 0.000 1.101 345 A CA -0.863 51.158 52.037 -0.027 0.000 0.674 345 A CB 1.144 20.129 19.000 -0.026 0.000 1.277 345 A HN 0.606 nan 8.150 nan 0.000 0.419 346 R N 0.613 121.092 120.500 -0.034 0.000 2.221 346 R HA 0.556 5.125 4.340 0.382 0.000 0.327 346 R C -0.260 176.023 176.300 -0.029 0.000 1.033 346 R CA -0.067 56.012 56.100 -0.035 0.000 0.887 346 R CB 0.201 30.471 30.300 -0.049 0.000 1.057 346 R HN 0.744 nan 8.270 nan 0.000 0.455 347 M N 2.811 122.397 119.600 -0.023 0.000 2.239 347 M HA 0.217 4.926 4.480 0.382 0.000 0.348 347 M C 0.122 176.412 176.300 -0.017 0.000 1.239 347 M CA 0.385 55.675 55.300 -0.017 0.000 1.114 347 M CB 1.198 33.789 32.600 -0.015 0.000 1.641 347 M HN 0.652 nan 8.290 nan 0.000 0.453 348 A N 4.555 127.370 122.820 -0.009 0.000 2.330 348 A HA 0.724 5.273 4.320 0.382 0.000 0.329 348 A C -2.041 175.538 177.584 -0.008 0.000 1.135 348 A CA -1.453 50.580 52.037 -0.006 0.000 0.817 348 A CB 0.443 19.451 19.000 0.012 0.000 1.269 348 A HN 0.650 nan 8.150 nan 0.000 0.469 349 P HA -0.018 nan 4.420 nan 0.000 0.213 349 P C -0.013 177.276 177.300 -0.018 0.000 1.170 349 P CA 1.286 64.376 63.100 -0.015 0.000 0.898 349 P CB 0.209 31.898 31.700 -0.019 0.000 0.787 350 E N -1.435 118.750 120.200 -0.025 0.000 2.336 350 E HA 0.276 4.855 4.350 0.382 0.000 0.267 350 E C -0.497 176.082 176.600 -0.034 0.000 0.906 350 E CA -0.763 55.617 56.400 -0.033 0.000 0.781 350 E CB 1.586 31.254 29.700 -0.053 0.000 1.261 350 E HN 0.194 nan 8.360 nan 0.000 0.436 351 E N 1.556 121.736 120.200 -0.034 0.000 2.232 351 E HA 0.615 5.194 4.350 0.382 0.000 0.265 351 E C -0.514 176.038 176.600 -0.080 0.000 1.001 351 E CA -0.681 55.694 56.400 -0.041 0.000 0.870 351 E CB 1.466 31.156 29.700 -0.017 0.000 1.175 351 E HN 0.329 nan 8.360 nan 0.000 0.407 352 I N 2.310 122.810 120.570 -0.117 0.000 2.595 352 I HA 0.203 4.602 4.170 0.382 0.000 0.276 352 I C -1.144 174.858 176.117 -0.191 0.000 1.109 352 I CA -0.839 60.357 61.300 -0.173 0.000 1.084 352 I CB 1.355 39.221 38.000 -0.223 0.000 1.206 352 I HN 0.558 nan 8.210 nan 0.000 0.486 353 I N 7.073 127.526 120.570 -0.197 0.000 2.307 353 I HA 0.376 4.775 4.170 0.382 0.000 0.289 353 I C -0.216 175.730 176.117 -0.285 0.000 1.021 353 I CA -0.050 61.141 61.300 -0.182 0.000 1.224 353 I CB 0.609 38.552 38.000 -0.094 0.000 1.376 353 I HN 0.258 nan 8.210 nan 0.000 0.470 354 I N 8.576 129.000 120.570 -0.244 0.000 2.270 354 I HA 0.168 4.567 4.170 0.382 0.000 0.300 354 I C 0.180 176.230 176.117 -0.112 0.000 1.186 354 I CA 0.066 61.208 61.300 -0.263 0.000 1.431 354 I CB -0.968 36.789 38.000 -0.406 0.000 1.485 354 I HN 0.647 nan 8.210 nan 0.000 0.650 355 D N 2.776 123.057 120.400 -0.199 0.000 2.559 355 D HA 0.260 5.129 4.640 0.382 0.000 0.234 355 D C 0.491 176.391 176.300 -0.667 0.000 1.226 355 D CA -0.130 53.733 54.000 -0.228 0.000 0.830 355 D CB 0.150 40.941 40.800 -0.015 0.000 1.028 355 D HN 0.367 nan 8.370 nan 0.000 0.492 356 R N 0.252 120.370 120.500 -0.637 0.000 2.707 356 R HA 0.658 5.227 4.340 0.382 0.000 0.272 356 R C -3.240 172.976 176.300 -0.141 0.000 1.011 356 R CA -1.749 54.037 56.100 -0.522 0.000 0.893 356 R CB -0.507 29.719 30.300 -0.122 0.000 1.233 356 R HN -0.073 nan 8.270 nan 0.000 0.464 357 P HA 0.152 nan 4.420 nan 0.000 0.264 357 P C -0.860 176.667 177.300 0.378 0.000 1.173 357 P CA 0.651 63.954 63.100 0.338 0.000 0.761 357 P CB -0.001 31.826 31.700 0.212 0.000 0.794 358 F N 1.491 121.565 119.950 0.206 0.000 2.685 358 F HA 0.730 5.485 4.527 0.380 0.000 0.315 358 F C -1.898 174.011 175.800 0.182 0.000 1.126 358 F CA -1.683 56.427 58.000 0.182 0.000 0.950 358 F CB 0.761 39.861 39.000 0.165 0.000 1.360 358 F HN 0.109 nan 8.300 nan 0.000 0.469 359 L N 3.000 124.446 121.223 0.371 0.000 2.334 359 L HA 0.827 5.396 4.340 0.382 0.000 0.276 359 L C -1.246 175.881 176.870 0.429 0.000 1.014 359 L CA -0.939 54.032 54.840 0.218 0.000 0.815 359 L CB 1.526 43.668 42.059 0.139 0.000 1.268 359 L HN 0.727 nan 8.230 nan 0.000 0.428 360 F N 3.199 123.304 119.950 0.257 0.000 2.588 360 F HA 0.925 5.681 4.527 0.381 0.000 0.314 360 F C -1.429 174.533 175.800 0.271 0.000 1.069 360 F CA -1.176 57.034 58.000 0.350 0.000 0.931 360 F CB 1.548 40.831 39.000 0.473 0.000 1.260 360 F HN 0.250 nan 8.300 nan 0.000 0.465 361 V N 2.455 122.703 119.914 0.557 0.000 2.808 361 V HA 0.590 4.939 4.120 0.382 0.000 0.308 361 V C -1.137 175.297 176.094 0.566 0.000 1.099 361 V CA -0.827 61.719 62.300 0.409 0.000 0.920 361 V CB 1.935 33.965 31.823 0.344 0.000 1.014 361 V HN 0.830 nan 8.190 nan 0.000 0.425 362 V N 5.210 125.391 119.914 0.445 0.000 2.409 362 V HA 0.721 5.070 4.120 0.382 0.000 0.291 362 V C -0.185 176.083 176.094 0.291 0.000 1.020 362 V CA -0.696 61.838 62.300 0.389 0.000 0.848 362 V CB 1.836 33.782 31.823 0.204 0.000 0.990 362 V HN 1.055 nan 8.190 nan 0.000 0.430 363 R N 2.034 122.731 120.500 0.329 0.000 2.807 363 R HA 0.549 5.118 4.340 0.382 0.000 0.276 363 R C -0.516 175.910 176.300 0.210 0.000 0.979 363 R CA -0.736 55.515 56.100 0.250 0.000 0.928 363 R CB 1.248 31.722 30.300 0.290 0.000 1.191 363 R HN 0.752 nan 8.270 nan 0.000 0.471 364 H N 3.012 122.095 119.070 0.022 0.000 2.761 364 H HA 0.176 4.961 4.556 0.382 0.000 0.284 364 H C -0.202 175.105 175.328 -0.035 0.000 1.105 364 H CA -0.322 55.687 56.048 -0.064 0.000 1.352 364 H CB 0.887 30.578 29.762 -0.118 0.000 1.423 364 H HN 0.682 nan 8.280 nan 0.000 0.464 365 N N 5.549 124.114 118.700 -0.225 0.000 2.104 365 N HA -0.119 4.850 4.740 0.382 0.000 0.190 365 N C -0.967 174.416 175.510 -0.213 0.000 1.024 365 N CA 1.053 54.012 53.050 -0.152 0.000 0.853 365 N CB -0.878 37.546 38.487 -0.105 0.000 1.008 365 N HN 0.637 nan 8.380 nan 0.000 0.424 366 P HA -0.104 nan 4.420 nan 0.000 0.215 366 P C 1.425 178.667 177.300 -0.097 0.000 1.157 366 P CA 1.882 64.828 63.100 -0.257 0.000 0.868 366 P CB -0.214 31.280 31.700 -0.344 0.000 0.788 367 T N -5.544 109.002 114.554 -0.014 0.000 3.044 367 T HA 0.328 4.907 4.350 0.382 0.000 0.255 367 T C 1.599 176.344 174.700 0.075 0.000 1.073 367 T CA 0.817 62.982 62.100 0.109 0.000 1.125 367 T CB -0.779 68.228 68.868 0.232 0.000 0.908 367 T HN 0.267 nan 8.240 nan 0.000 0.480 368 G N 1.354 110.193 108.800 0.065 0.000 2.136 368 G HA2 -0.227 3.962 3.960 0.382 0.000 0.242 368 G HA3 -0.227 3.962 3.960 0.382 0.000 0.242 368 G C 0.117 175.068 174.900 0.084 0.000 0.989 368 G CA 0.129 45.268 45.100 0.065 0.000 0.682 368 G HN 0.714 nan 8.290 nan 0.000 0.522 369 T N 0.590 115.199 114.554 0.092 0.000 2.870 369 T HA 0.409 4.988 4.350 0.382 0.000 0.300 369 T C 0.745 175.472 174.700 0.046 0.000 0.989 369 T CA 0.528 62.656 62.100 0.045 0.000 1.139 369 T CB 1.969 70.791 68.868 -0.076 0.000 0.920 369 T HN 1.377 nan 8.240 nan 0.000 0.537 370 V N 6.105 126.044 119.914 0.042 0.000 2.353 370 V HA 0.351 4.700 4.120 0.382 0.000 0.264 370 V C 0.766 176.851 176.094 -0.015 0.000 1.049 370 V CA -0.145 62.178 62.300 0.038 0.000 0.896 370 V CB -0.384 31.451 31.823 0.019 0.000 1.025 370 V HN 0.920 nan 8.190 nan 0.000 0.475 371 L N 5.012 126.195 121.223 -0.067 0.000 2.095 371 L HA 0.322 4.891 4.340 0.382 0.000 0.204 371 L C 0.250 176.706 176.870 -0.690 0.000 1.080 371 L CA 1.277 55.922 54.840 -0.326 0.000 0.759 371 L CB -0.100 41.811 42.059 -0.247 0.000 0.914 371 L HN 0.560 nan 8.230 nan 0.000 0.439 372 F N -1.226 118.705 119.950 -0.033 0.000 2.662 372 F HA 0.597 5.352 4.527 0.381 0.000 0.312 372 F C -0.169 175.613 175.800 -0.031 0.000 1.113 372 F CA -0.956 57.035 58.000 -0.014 0.000 0.951 372 F CB 1.836 40.834 39.000 -0.004 0.000 1.344 372 F HN -0.217 nan 8.300 nan 0.000 0.462 373 M N 0.594 120.182 119.600 -0.019 0.000 2.790 373 M HA 0.908 5.617 4.480 0.382 0.000 0.272 373 M C -1.260 174.407 176.300 -1.055 0.000 1.168 373 M CA -0.538 54.405 55.300 -0.595 0.000 0.829 373 M CB 2.356 34.603 32.600 -0.588 0.000 1.675 373 M HN 0.854 nan 8.290 nan 0.000 0.505 374 G N 0.577 108.438 108.800 -1.565 0.000 2.488 374 G HA2 0.548 4.737 3.960 0.382 0.000 0.301 374 G HA3 0.548 4.737 3.960 0.382 0.000 0.301 374 G C -2.465 172.157 174.900 -0.463 0.000 1.339 374 G CA -0.703 43.885 45.100 -0.854 0.000 0.803 374 G HN 0.770 nan 8.290 nan 0.000 0.482 375 Q N -0.028 119.745 119.800 -0.045 0.000 2.337 375 Q HA 0.450 5.019 4.340 0.382 0.000 0.264 375 Q C -0.768 175.164 176.000 -0.114 0.000 1.007 375 Q CA -0.728 55.050 55.803 -0.042 0.000 0.727 375 Q CB 2.758 31.533 28.738 0.062 0.000 1.256 375 Q HN 0.704 nan 8.270 nan 0.000 0.467 376 V N 4.279 123.962 119.914 -0.386 0.000 2.339 376 V HA 0.169 4.518 4.120 0.382 0.000 0.261 376 V C 0.558 176.461 176.094 -0.319 0.000 1.058 376 V CA -0.223 61.775 62.300 -0.503 0.000 0.897 376 V CB 0.388 31.582 31.823 -1.048 0.000 1.052 376 V HN 0.867 nan 8.190 nan 0.000 0.480 377 M N 3.618 123.154 119.600 -0.107 0.000 2.435 377 M HA 0.352 5.061 4.480 0.382 0.000 0.265 377 M C 0.774 177.151 176.300 0.127 0.000 1.104 377 M CA 0.776 56.116 55.300 0.068 0.000 1.140 377 M CB -0.441 32.191 32.600 0.053 0.000 1.372 377 M HN 0.819 nan 8.290 nan 0.000 0.456 378 E N 0.795 120.924 120.200 -0.118 0.000 2.404 378 E HA 0.304 4.883 4.350 0.382 0.000 0.298 378 E C -2.592 173.803 176.600 -0.341 0.000 0.908 378 E CA -1.309 54.933 56.400 -0.263 0.000 0.808 378 E CB 2.372 32.038 29.700 -0.056 0.000 1.380 378 E HN -0.017 nan 8.360 nan 0.000 0.392 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.922 63.100 -0.296 0.000 0.800 379 P CB 0.000 31.490 31.700 -0.350 0.000 0.726