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 3i5k_1_C DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASQRAK DATA SEQUENCE KVTFDRTQVL DAHYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDP QTPIPTTIMA KNEVFCVDPA DATA SEQUENCE KGGKKPARLI VYPDLGVRVC EKMALYDITQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEYLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQTCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPRGRR RYYLTRDPTT PLARAAWETV DATA SEQUENCE RHSPINSWLG NIIQYAPTIW VRMVLMTHFF SILMVQDTLD QNLNFEMYGS DATA SEQUENCE VYSVNPLDLP AIIERLHGLD AFSMHTYSHH ELTRVASALR KLGAPPLRVW DATA SEQUENCE KSRARAVRAS LISRGGKAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI FHSVSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.579 174.600 -0.036 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.171 63.200 -0.049 0.000 0.593 2 M N 3.178 122.753 119.600 -0.042 0.000 2.238 2 M HA 0.257 4.737 4.480 -0.000 0.000 0.347 2 M C 1.928 178.134 176.300 -0.157 0.000 1.173 2 M CA 0.036 55.302 55.300 -0.056 0.000 1.147 2 M CB 0.627 33.218 32.600 -0.014 0.000 1.547 2 M HN 1.067 nan 8.290 nan 0.000 0.455 3 S N 2.454 117.995 115.700 -0.265 0.000 2.382 3 S HA -0.092 4.377 4.470 -0.000 0.000 0.228 3 S C 0.145 174.324 174.600 -0.702 0.000 1.027 3 S CA 0.979 58.880 58.200 -0.497 0.000 0.991 3 S CB -0.223 62.584 63.200 -0.654 0.000 0.823 3 S HN 0.644 nan 8.310 nan 0.000 0.469 4 Y N 0.874 121.040 120.300 -0.223 0.000 2.553 4 Y HA 0.625 5.175 4.550 -0.000 0.000 0.347 4 Y C 0.037 175.709 175.900 -0.379 0.000 1.019 4 Y CA -0.880 56.982 58.100 -0.396 0.000 1.032 4 Y CB 2.000 40.061 38.460 -0.666 0.000 1.284 4 Y HN 0.235 nan 8.280 nan 0.000 0.466 5 S N -0.099 115.418 115.700 -0.306 0.000 2.600 5 S HA 0.812 5.282 4.470 -0.000 0.000 0.300 5 S C -1.671 172.643 174.600 -0.477 0.000 1.087 5 S CA -0.733 57.322 58.200 -0.241 0.000 0.965 5 S CB 1.497 64.646 63.200 -0.086 0.000 1.089 5 S HN 0.602 nan 8.310 nan 0.000 0.496 6 W N 0.009 121.336 121.300 0.044 0.000 2.936 6 W HA 0.464 5.124 4.660 -0.000 0.000 0.338 6 W C 1.258 177.777 176.519 -0.001 0.000 1.121 6 W CA -0.383 56.969 57.345 0.011 0.000 1.209 6 W CB 2.088 31.546 29.460 -0.004 0.000 1.420 6 W HN 0.896 nan 8.180 nan 0.000 0.516 7 T N -2.257 112.434 114.554 0.229 0.000 3.009 7 T HA 0.306 4.656 4.350 -0.000 0.000 0.258 7 T C 1.456 176.226 174.700 0.117 0.000 1.063 7 T CA 1.198 63.372 62.100 0.123 0.000 1.139 7 T CB -0.049 68.860 68.868 0.067 0.000 0.890 7 T HN 1.289 nan 8.240 nan 0.000 0.471 8 G N 1.246 110.128 108.800 0.137 0.000 2.253 8 G HA2 0.068 4.027 3.960 -0.000 0.000 0.209 8 G HA3 0.068 4.027 3.960 -0.000 0.000 0.209 8 G C 0.379 175.304 174.900 0.043 0.000 0.997 8 G CA -0.122 45.017 45.100 0.066 0.000 0.640 8 G HN 1.091 nan 8.290 nan 0.000 0.496 9 A N 1.148 124.006 122.820 0.064 0.000 2.531 9 A HA 0.574 4.894 4.320 -0.000 0.000 0.236 9 A C 0.583 178.190 177.584 0.039 0.000 1.062 9 A CA 0.322 52.389 52.037 0.051 0.000 0.760 9 A CB 0.264 19.301 19.000 0.063 0.000 0.995 9 A HN 0.878 nan 8.150 nan 0.000 0.501 10 L N 1.790 123.025 121.223 0.020 0.000 2.436 10 L HA 0.248 4.588 4.340 -0.000 0.000 0.265 10 L C 0.467 177.346 176.870 0.015 0.000 1.168 10 L CA 0.126 54.964 54.840 -0.003 0.000 0.815 10 L CB 0.471 42.528 42.059 -0.003 0.000 1.109 10 L HN 0.555 nan 8.230 nan 0.000 0.462 11 I N 1.820 122.385 120.570 -0.008 0.000 2.363 11 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 11 I C 0.358 176.487 176.117 0.021 0.000 1.075 11 I CA -0.111 61.200 61.300 0.017 0.000 1.333 11 I CB 0.368 38.367 38.000 -0.003 0.000 1.415 11 I HN 0.654 nan 8.210 nan 0.000 0.502 12 T N 4.969 119.546 114.554 0.038 0.000 2.895 12 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 12 T C -2.401 172.326 174.700 0.045 0.000 1.014 12 T CA -2.035 60.087 62.100 0.037 0.000 1.037 12 T CB 1.826 70.717 68.868 0.038 0.000 1.006 12 T HN 0.231 nan 8.240 nan 0.000 0.468 13 P HA 0.307 nan 4.420 nan 0.000 0.277 13 P C 0.558 177.885 177.300 0.046 0.000 1.271 13 P CA -0.701 62.428 63.100 0.048 0.000 0.795 13 P CB 0.703 32.430 31.700 0.046 0.000 1.101 14 C N -2.844 116.484 119.300 0.048 0.000 2.553 14 C HA 0.269 4.729 4.460 -0.000 0.000 0.447 14 C C 1.059 176.071 174.990 0.036 0.000 1.351 14 C CA 0.182 59.224 59.018 0.040 0.000 2.354 14 C CB -0.903 26.863 27.740 0.043 0.000 2.905 14 C HN 0.596 nan 8.230 nan 0.000 0.554 15 S N 1.834 117.558 115.700 0.039 0.000 2.489 15 S HA 0.668 5.138 4.470 -0.000 0.000 0.291 15 S C -2.924 171.704 174.600 0.047 0.000 1.151 15 S CA -0.895 57.328 58.200 0.040 0.000 1.082 15 S CB 0.117 63.340 63.200 0.038 0.000 1.019 15 S HN 0.267 nan 8.310 nan 0.000 0.492 16 P HA 0.030 nan 4.420 nan 0.000 0.265 16 P C -0.493 176.852 177.300 0.075 0.000 1.167 16 P CA 0.515 63.649 63.100 0.057 0.000 0.760 16 P CB 0.224 31.955 31.700 0.052 0.000 0.783 17 E N 1.200 121.451 120.200 0.086 0.000 2.288 17 E HA 0.367 4.717 4.350 -0.000 0.000 0.268 17 E C -0.706 175.982 176.600 0.147 0.000 0.885 17 E CA -0.735 55.732 56.400 0.112 0.000 0.767 17 E CB 1.817 31.572 29.700 0.091 0.000 1.220 17 E HN 0.395 nan 8.360 nan 0.000 0.427 18 E N 1.346 121.682 120.200 0.226 0.000 2.199 18 E HA 0.097 4.447 4.350 -0.000 0.000 0.269 18 E C 0.036 176.856 176.600 0.366 0.000 0.899 18 E CA -0.280 56.298 56.400 0.297 0.000 0.772 18 E CB 1.503 31.421 29.700 0.364 0.000 1.155 18 E HN 0.596 nan 8.360 nan 0.000 0.408 19 E N 1.999 122.387 120.200 0.313 0.000 2.389 19 E HA 0.118 4.468 4.350 -0.000 0.000 0.199 19 E C -0.122 176.731 176.600 0.423 0.000 0.978 19 E CA 0.209 56.793 56.400 0.307 0.000 0.912 19 E CB 0.536 30.364 29.700 0.213 0.000 0.907 19 E HN 0.143 nan 8.360 nan 0.000 0.494 20 K N 1.345 121.991 120.400 0.410 0.000 2.138 20 K HA 0.319 4.639 4.320 -0.000 0.000 0.263 20 K C -0.733 176.065 176.600 0.330 0.000 0.965 20 K CA -0.987 55.519 56.287 0.365 0.000 0.868 20 K CB 2.203 34.832 32.500 0.216 0.000 1.083 20 K HN -0.031 nan 8.250 nan 0.000 0.443 21 L N 4.893 126.323 121.223 0.345 0.000 2.418 21 L HA 0.173 4.513 4.340 -0.000 0.000 0.274 21 L C -2.379 174.416 176.870 -0.124 0.000 1.135 21 L CA -1.186 53.667 54.840 0.022 0.000 0.870 21 L CB 0.099 42.308 42.059 0.250 0.000 1.154 21 L HN 0.392 nan 8.230 nan 0.000 0.462 22 P HA 0.122 nan 4.420 nan 0.000 0.271 22 P C -0.367 176.791 177.300 -0.237 0.000 1.226 22 P CA -0.117 62.824 63.100 -0.265 0.000 0.765 22 P CB 0.440 31.957 31.700 -0.305 0.000 0.835 23 I N 3.141 123.540 120.570 -0.286 0.000 2.416 23 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 23 I C -0.673 175.349 176.117 -0.157 0.000 1.051 23 I CA 0.226 61.355 61.300 -0.285 0.000 1.375 23 I CB 0.016 37.720 38.000 -0.492 0.000 1.407 23 I HN 0.385 nan 8.210 nan 0.000 0.516 24 N N 7.453 126.094 118.700 -0.099 0.000 2.516 24 N HA 0.304 5.044 4.740 -0.000 0.000 0.268 24 N C -2.676 172.811 175.510 -0.039 0.000 1.096 24 N CA -1.035 51.974 53.050 -0.069 0.000 0.954 24 N CB 2.536 40.977 38.487 -0.077 0.000 1.676 24 N HN 0.227 nan 8.380 nan 0.000 0.490 25 P HA -0.099 nan 4.420 nan 0.000 0.216 25 P C 1.558 178.853 177.300 -0.010 0.000 1.154 25 P CA 1.269 64.356 63.100 -0.022 0.000 0.865 25 P CB 0.394 32.079 31.700 -0.025 0.000 0.789 26 L N -0.626 120.592 121.223 -0.007 0.000 2.005 26 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 26 L C 2.638 179.555 176.870 0.079 0.000 1.072 26 L CA 2.152 57.002 54.840 0.016 0.000 0.744 26 L CB -1.361 40.689 42.059 -0.015 0.000 0.895 26 L HN 0.088 nan 8.230 nan 0.000 0.433 27 S N -0.979 114.746 115.700 0.042 0.000 2.402 27 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 27 S C 1.786 176.397 174.600 0.019 0.000 1.021 27 S CA 1.174 59.397 58.200 0.039 0.000 0.974 27 S CB -0.688 62.519 63.200 0.012 0.000 0.800 27 S HN 0.424 nan 8.310 nan 0.000 0.484 28 N N 1.727 120.436 118.700 0.014 0.000 2.223 28 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 28 N C 1.730 177.238 175.510 -0.005 0.000 1.016 28 N CA 1.476 54.534 53.050 0.014 0.000 0.863 28 N CB -0.191 38.301 38.487 0.009 0.000 0.983 28 N HN 0.698 nan 8.380 nan 0.000 0.429 29 S N 0.008 115.709 115.700 0.001 0.000 2.515 29 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 29 S C 1.784 176.376 174.600 -0.013 0.000 0.987 29 S CA 0.194 58.379 58.200 -0.026 0.000 0.936 29 S CB 0.029 63.221 63.200 -0.014 0.000 0.766 29 S HN 0.264 nan 8.310 nan 0.000 0.528 30 L N 0.749 121.973 121.223 0.001 0.000 2.200 30 L HA 0.505 4.845 4.340 -0.000 0.000 0.200 30 L C -0.097 176.810 176.870 0.061 0.000 1.072 30 L CA 0.850 55.697 54.840 0.011 0.000 0.787 30 L CB -0.083 41.705 42.059 -0.452 0.000 0.957 30 L HN 0.563 nan 8.230 nan 0.000 0.459 31 L N -4.116 117.107 121.223 0.001 0.000 2.472 31 L HA 0.549 4.889 4.340 -0.000 0.000 0.260 31 L C 0.365 177.224 176.870 -0.017 0.000 0.963 31 L CA -0.482 54.348 54.840 -0.017 0.000 0.829 31 L CB 1.747 43.809 42.059 0.004 0.000 1.348 31 L HN -0.111 nan 8.230 nan 0.000 0.408 32 R N 0.625 121.057 120.500 -0.113 0.000 2.189 32 R HA 0.208 4.548 4.340 -0.000 0.000 0.203 32 R C -0.239 176.142 176.300 0.134 0.000 1.012 32 R CA 0.511 56.591 56.100 -0.033 0.000 1.015 32 R CB 0.088 30.306 30.300 -0.137 0.000 0.938 32 R HN 0.566 nan 8.270 nan 0.000 0.472 33 Y N 2.720 123.042 120.300 0.037 0.000 2.667 33 Y HA 0.033 4.582 4.550 -0.000 0.000 0.340 33 Y C 1.536 177.415 175.900 -0.035 0.000 1.303 33 Y CA -1.053 57.022 58.100 -0.043 0.000 1.769 33 Y CB -1.169 37.278 38.460 -0.021 0.000 1.804 33 Y HN 0.193 nan 8.280 nan 0.000 0.451 34 H N -1.066 118.127 119.070 0.204 0.000 2.421 34 H HA -0.110 4.446 4.556 0.000 0.000 0.298 34 H C 0.591 176.021 175.328 0.170 0.000 1.087 34 H CA 1.318 57.459 56.048 0.155 0.000 1.330 34 H CB 0.053 29.875 29.762 0.100 0.000 1.388 34 H HN 0.299 nan 8.280 nan 0.000 0.526 35 N N 1.301 119.915 118.700 -0.143 0.000 2.573 35 N HA -0.055 4.685 4.740 -0.000 0.000 0.187 35 N C 1.265 176.833 175.510 0.095 0.000 1.107 35 N CA 0.504 53.563 53.050 0.016 0.000 0.918 35 N CB 0.013 38.436 38.487 -0.106 0.000 0.966 35 N HN 0.568 nan 8.380 nan 0.000 0.448 36 K N 0.097 120.574 120.400 0.127 0.000 2.356 36 K HA 0.150 4.470 4.320 -0.000 0.000 0.195 36 K C 0.069 176.828 176.600 0.266 0.000 1.037 36 K CA 0.152 56.542 56.287 0.173 0.000 1.014 36 K CB 0.928 33.524 32.500 0.160 0.000 0.815 36 K HN -0.084 nan 8.250 nan 0.000 0.507 37 V N 2.813 122.895 119.914 0.280 0.000 2.407 37 V HA 0.211 4.331 4.120 -0.000 0.000 0.278 37 V C -0.561 175.767 176.094 0.389 0.000 1.037 37 V CA -0.825 61.650 62.300 0.293 0.000 0.900 37 V CB 0.193 32.186 31.823 0.283 0.000 0.983 37 V HN 0.164 nan 8.190 nan 0.000 0.459 38 Y N 2.650 123.072 120.300 0.203 0.000 2.602 38 Y HA 0.830 5.380 4.550 -0.000 0.000 0.342 38 Y C -0.485 175.414 175.900 -0.001 0.000 1.029 38 Y CA -1.368 56.837 58.100 0.176 0.000 1.080 38 Y CB 1.540 40.087 38.460 0.145 0.000 1.284 38 Y HN 0.593 nan 8.280 nan 0.000 0.485 39 C N 3.082 122.352 119.300 -0.049 0.000 2.408 39 C HA 0.668 5.128 4.460 -0.000 0.000 0.321 39 C C 0.309 175.324 174.990 0.041 0.000 1.245 39 C CA 0.006 58.819 59.018 -0.341 0.000 1.523 39 C CB 0.161 27.418 27.740 -0.805 0.000 2.178 39 C HN 1.079 nan 8.230 nan 0.000 0.488 40 T N 3.478 118.069 114.554 0.061 0.000 2.930 40 T HA 0.538 4.888 4.350 -0.000 0.000 0.306 40 T C 0.242 174.990 174.700 0.080 0.000 1.045 40 T CA 0.269 62.470 62.100 0.167 0.000 1.134 40 T CB 0.767 69.755 68.868 0.199 0.000 0.961 40 T HN 1.061 nan 8.240 nan 0.000 0.545 41 T N -1.505 113.105 114.554 0.093 0.000 2.838 41 T HA 0.493 4.843 4.350 -0.000 0.000 0.292 41 T C 1.354 176.088 174.700 0.056 0.000 1.113 41 T CA -0.302 61.839 62.100 0.068 0.000 1.008 41 T CB 1.198 70.113 68.868 0.078 0.000 1.259 41 T HN 0.727 nan 8.240 nan 0.000 0.520 42 S N -0.439 115.289 115.700 0.047 0.000 2.500 42 S HA -0.092 4.378 4.470 -0.000 0.000 0.239 42 S C 1.673 176.284 174.600 0.018 0.000 0.989 42 S CA 0.751 58.969 58.200 0.031 0.000 0.951 42 S CB -0.637 62.583 63.200 0.032 0.000 0.759 42 S HN 0.737 nan 8.310 nan 0.000 0.523 43 K N 1.620 122.036 120.400 0.027 0.000 2.147 43 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 43 K C 1.722 178.324 176.600 0.002 0.000 1.049 43 K CA 1.491 57.788 56.287 0.017 0.000 0.936 43 K CB -0.230 32.289 32.500 0.031 0.000 0.722 43 K HN 0.625 nan 8.250 nan 0.000 0.446 44 S N -1.313 114.393 115.700 0.010 0.000 2.582 44 S HA 0.250 4.720 4.470 -0.000 0.000 0.234 44 S C 1.402 175.990 174.600 -0.021 0.000 0.961 44 S CA 0.086 58.284 58.200 -0.003 0.000 0.953 44 S CB 0.972 64.183 63.200 0.018 0.000 0.800 44 S HN 0.272 nan 8.310 nan 0.000 0.471 45 A N 1.939 124.740 122.820 -0.031 0.000 1.930 45 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 45 A C 2.343 179.847 177.584 -0.133 0.000 1.175 45 A CA 1.565 53.568 52.037 -0.056 0.000 0.627 45 A CB -1.010 17.965 19.000 -0.042 0.000 0.815 45 A HN 0.548 nan 8.150 nan 0.000 0.443 46 S N -0.846 114.764 115.700 -0.149 0.000 2.383 46 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 46 S C 2.124 176.612 174.600 -0.187 0.000 1.026 46 S CA 1.309 59.375 58.200 -0.223 0.000 0.981 46 S CB -0.233 62.857 63.200 -0.183 0.000 0.818 46 S HN 0.761 nan 8.310 nan 0.000 0.472 47 Q N 0.870 120.603 119.800 -0.111 0.000 2.124 47 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 47 Q C 2.185 178.149 176.000 -0.060 0.000 0.977 47 Q CA 1.367 57.125 55.803 -0.075 0.000 0.850 47 Q CB -0.050 28.660 28.738 -0.047 0.000 0.901 47 Q HN 0.250 nan 8.270 nan 0.000 0.429 48 R N 0.291 120.756 120.500 -0.058 0.000 2.073 48 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 48 R C 2.069 178.339 176.300 -0.049 0.000 1.120 48 R CA 1.589 57.674 56.100 -0.024 0.000 0.967 48 R CB -0.800 29.498 30.300 -0.003 0.000 0.862 48 R HN 0.354 nan 8.270 nan 0.000 0.436 49 A N 1.287 124.000 122.820 -0.177 0.000 1.917 49 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 49 A C 1.819 179.302 177.584 -0.168 0.000 1.182 49 A CA 1.807 53.650 52.037 -0.324 0.000 0.633 49 A CB -0.472 17.986 19.000 -0.903 0.000 0.819 49 A HN 0.251 nan 8.150 nan 0.000 0.448 50 K N -0.131 120.183 120.400 -0.143 0.000 2.026 50 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 50 K C 2.029 178.688 176.600 0.098 0.000 1.048 50 K CA 1.738 58.010 56.287 -0.026 0.000 0.929 50 K CB -0.460 32.016 32.500 -0.041 0.000 0.713 50 K HN 0.589 nan 8.250 nan 0.000 0.439 51 K N 1.298 121.755 120.400 0.095 0.000 2.032 51 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 51 K C 1.922 178.717 176.600 0.326 0.000 1.048 51 K CA 1.633 58.023 56.287 0.172 0.000 0.927 51 K CB 0.002 32.573 32.500 0.118 0.000 0.712 51 K HN 0.100 nan 8.250 nan 0.000 0.441 52 V N -1.537 118.538 119.914 0.269 0.000 3.573 52 V HA 0.078 4.198 4.120 -0.000 0.000 0.270 52 V C 0.213 176.400 176.094 0.154 0.000 1.221 52 V CA 0.477 62.956 62.300 0.298 0.000 1.163 52 V CB -0.096 31.888 31.823 0.268 0.000 0.847 52 V HN 0.056 nan 8.190 nan 0.000 0.468 53 T N 4.304 119.012 114.554 0.257 0.000 2.753 53 T HA 0.711 5.061 4.350 -0.000 0.000 0.297 53 T C -0.739 174.083 174.700 0.204 0.000 0.981 53 T CA -0.029 62.210 62.100 0.233 0.000 0.956 53 T CB 0.242 69.395 68.868 0.474 0.000 0.936 53 T HN 0.607 nan 8.240 nan 0.000 0.463 54 F N -0.226 119.825 119.950 0.167 0.000 2.773 54 F HA 0.635 5.162 4.527 0.000 0.000 0.314 54 F C -0.974 174.860 175.800 0.057 0.000 1.160 54 F CA -1.790 56.268 58.000 0.097 0.000 0.920 54 F CB 0.581 39.627 39.000 0.077 0.000 1.323 54 F HN 0.200 nan 8.300 nan 0.000 0.457 55 D N 0.765 121.353 120.400 0.313 0.000 2.350 55 D HA 0.437 5.077 4.640 -0.000 0.000 0.249 55 D C -0.820 175.622 176.300 0.236 0.000 1.119 55 D CA 0.096 54.205 54.000 0.181 0.000 0.886 55 D CB 0.788 41.658 40.800 0.117 0.000 1.195 55 D HN 0.554 nan 8.370 nan 0.000 0.437 56 R N 1.327 121.904 120.500 0.129 0.000 2.445 56 R HA 0.564 4.904 4.340 -0.000 0.000 0.308 56 R C -0.307 176.020 176.300 0.046 0.000 0.961 56 R CA -0.716 55.450 56.100 0.110 0.000 0.862 56 R CB 1.748 32.089 30.300 0.069 0.000 1.144 56 R HN 0.454 nan 8.270 nan 0.000 0.447 57 T N -0.901 113.673 114.554 0.034 0.000 2.932 57 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 57 T C -0.618 174.078 174.700 -0.005 0.000 1.039 57 T CA -0.953 61.151 62.100 0.006 0.000 1.024 57 T CB 1.981 70.850 68.868 0.001 0.000 1.090 57 T HN 0.479 nan 8.240 nan 0.000 0.496 58 Q N 1.157 120.945 119.800 -0.020 0.000 2.263 58 Q HA 0.570 4.910 4.340 -0.000 0.000 0.262 58 Q C -2.220 173.757 176.000 -0.037 0.000 0.984 58 Q CA -0.722 55.062 55.803 -0.031 0.000 0.813 58 Q CB 2.057 30.761 28.738 -0.057 0.000 1.299 58 Q HN 0.690 nan 8.270 nan 0.000 0.428 59 V N 5.604 125.507 119.914 -0.017 0.000 2.407 59 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 59 V C -0.341 175.777 176.094 0.039 0.000 1.018 59 V CA -0.562 61.732 62.300 -0.011 0.000 0.842 59 V CB 1.347 33.164 31.823 -0.011 0.000 0.996 59 V HN 0.732 nan 8.190 nan 0.000 0.426 60 L N 4.699 125.903 121.223 -0.032 0.000 2.352 60 L HA 0.777 5.117 4.340 -0.000 0.000 0.269 60 L C -0.237 176.666 176.870 0.055 0.000 1.034 60 L CA -0.493 54.305 54.840 -0.069 0.000 0.806 60 L CB 1.799 43.630 42.059 -0.379 0.000 1.244 60 L HN 0.791 nan 8.230 nan 0.000 0.447 61 D N 0.193 120.685 120.400 0.152 0.000 2.781 61 D HA 0.452 5.092 4.640 -0.000 0.000 0.295 61 D C 0.443 176.800 176.300 0.096 0.000 1.143 61 D CA -0.341 53.733 54.000 0.122 0.000 1.076 61 D CB 1.069 41.964 40.800 0.159 0.000 1.444 61 D HN 0.395 nan 8.370 nan 0.000 0.567 62 A N -0.811 121.999 122.820 -0.016 0.000 1.972 62 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 62 A C 1.788 179.335 177.584 -0.061 0.000 1.169 62 A CA 1.376 53.367 52.037 -0.077 0.000 0.635 62 A CB -1.143 17.757 19.000 -0.168 0.000 0.810 62 A HN 0.629 nan 8.150 nan 0.000 0.446 63 H N -2.204 116.922 119.070 0.094 0.000 2.321 63 H HA -0.177 4.379 4.556 0.000 0.000 0.300 63 H C 1.998 177.348 175.328 0.037 0.000 1.087 63 H CA 1.938 58.034 56.048 0.079 0.000 1.319 63 H CB -0.804 29.036 29.762 0.130 0.000 1.379 63 H HN 0.720 nan 8.280 nan 0.000 0.501 64 Y N 2.263 122.581 120.300 0.030 0.000 2.097 64 Y HA -0.228 4.322 4.550 -0.000 0.000 0.282 64 Y C 2.047 177.877 175.900 -0.117 0.000 1.152 64 Y CA 1.766 59.750 58.100 -0.192 0.000 1.136 64 Y CB -0.151 38.047 38.460 -0.437 0.000 0.975 64 Y HN 0.062 nan 8.280 nan 0.000 0.498 65 D N -0.677 119.784 120.400 0.100 0.000 2.123 65 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 65 D C 2.394 178.651 176.300 -0.071 0.000 0.992 65 D CA 1.669 55.684 54.000 0.025 0.000 0.833 65 D CB -0.626 40.210 40.800 0.060 0.000 0.954 65 D HN 0.382 nan 8.370 nan 0.000 0.455 66 S N -0.143 115.530 115.700 -0.046 0.000 2.368 66 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 66 S C 2.141 176.697 174.600 -0.073 0.000 1.029 66 S CA 0.872 59.049 58.200 -0.038 0.000 0.988 66 S CB -0.188 63.014 63.200 0.004 0.000 0.838 66 S HN 0.046 nan 8.310 nan 0.000 0.462 67 V N 1.972 121.810 119.914 -0.126 0.000 2.358 67 V HA -0.086 4.033 4.120 -0.000 0.000 0.246 67 V C 2.449 178.422 176.094 -0.201 0.000 1.047 67 V CA 1.663 63.864 62.300 -0.165 0.000 1.035 67 V CB -0.777 30.909 31.823 -0.229 0.000 0.658 67 V HN 0.480 nan 8.190 nan 0.000 0.452 68 L N 0.621 121.646 121.223 -0.331 0.000 2.042 68 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 68 L C 2.437 179.227 176.870 -0.133 0.000 1.076 68 L CA 2.217 56.887 54.840 -0.284 0.000 0.749 68 L CB -0.868 40.960 42.059 -0.385 0.000 0.893 68 L HN 0.308 nan 8.230 nan 0.000 0.432 69 K N -0.767 119.572 120.400 -0.102 0.000 2.032 69 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 69 K C 1.733 178.311 176.600 -0.035 0.000 1.048 69 K CA 1.918 58.173 56.287 -0.053 0.000 0.927 69 K CB -0.203 32.274 32.500 -0.038 0.000 0.712 69 K HN 0.385 nan 8.250 nan 0.000 0.441 70 D N 0.677 121.057 120.400 -0.033 0.000 2.117 70 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 70 D C 1.978 178.279 176.300 0.002 0.000 0.987 70 D CA 1.062 55.057 54.000 -0.008 0.000 0.829 70 D CB -0.194 40.608 40.800 0.003 0.000 0.961 70 D HN 0.219 nan 8.370 nan 0.000 0.460 71 I N 1.201 121.769 120.570 -0.004 0.000 2.163 71 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 71 I C 2.296 178.410 176.117 -0.005 0.000 1.085 71 I CA 1.363 62.670 61.300 0.013 0.000 1.347 71 I CB -0.063 37.946 38.000 0.015 0.000 1.044 71 I HN -0.095 nan 8.210 nan 0.000 0.408 72 K N -0.306 120.082 120.400 -0.020 0.000 2.097 72 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 72 K C 2.084 178.680 176.600 -0.006 0.000 1.049 72 K CA 1.289 57.567 56.287 -0.015 0.000 0.933 72 K CB -0.403 32.084 32.500 -0.022 0.000 0.717 72 K HN 0.157 nan 8.250 nan 0.000 0.442 73 L N 1.053 122.272 121.223 -0.006 0.000 2.046 73 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 73 L C 2.188 179.059 176.870 0.001 0.000 1.077 73 L CA 1.741 56.581 54.840 -0.001 0.000 0.747 73 L CB -0.573 41.486 42.059 -0.000 0.000 0.896 73 L HN 0.112 nan 8.230 nan 0.000 0.432 74 A N -0.545 122.276 122.820 0.002 0.000 1.902 74 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 74 A C 2.446 180.027 177.584 -0.006 0.000 1.181 74 A CA 1.655 53.692 52.037 -0.000 0.000 0.623 74 A CB -1.156 17.845 19.000 0.002 0.000 0.818 74 A HN 0.554 nan 8.150 nan 0.000 0.443 75 A N 0.452 123.270 122.820 -0.004 0.000 1.972 75 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 75 A C 2.399 179.987 177.584 0.006 0.000 1.169 75 A CA 2.185 54.222 52.037 0.001 0.000 0.635 75 A CB -0.979 18.028 19.000 0.011 0.000 0.810 75 A HN 1.087 nan 8.150 nan 0.000 0.446 76 S N -0.540 115.164 115.700 0.006 0.000 2.500 76 S HA -0.080 4.390 4.470 -0.000 0.000 0.239 76 S C 1.433 176.036 174.600 0.005 0.000 0.989 76 S CA 1.109 59.313 58.200 0.007 0.000 0.951 76 S CB -0.167 63.036 63.200 0.006 0.000 0.759 76 S HN 0.469 nan 8.310 nan 0.000 0.523 77 K N 1.036 121.437 120.400 0.001 0.000 2.418 77 K HA 0.281 4.601 4.320 -0.000 0.000 0.195 77 K C 0.249 176.847 176.600 -0.003 0.000 1.035 77 K CA 0.092 56.378 56.287 -0.001 0.000 1.003 77 K CB -0.265 32.233 32.500 -0.004 0.000 0.793 77 K HN 0.344 nan 8.250 nan 0.000 0.494 78 V N 2.224 122.136 119.914 -0.004 0.000 2.498 78 V HA 0.122 4.242 4.120 -0.000 0.000 0.279 78 V C 0.116 176.211 176.094 0.000 0.000 1.048 78 V CA -0.389 61.906 62.300 -0.007 0.000 0.967 78 V CB 1.516 33.331 31.823 -0.013 0.000 0.988 78 V HN 0.040 nan 8.190 nan 0.000 0.473 79 S N 3.642 119.341 115.700 -0.002 0.000 2.454 79 S HA 0.850 5.320 4.470 -0.000 0.000 0.306 79 S C -0.070 174.530 174.600 0.000 0.000 1.100 79 S CA -0.449 57.754 58.200 0.004 0.000 1.087 79 S CB 1.668 64.870 63.200 0.004 0.000 1.019 79 S HN 1.062 nan 8.310 nan 0.000 0.480 80 A N 3.072 125.896 122.820 0.007 0.000 2.469 80 A HA 0.896 5.216 4.320 -0.000 0.000 0.299 80 A C -0.466 177.129 177.584 0.018 0.000 1.098 80 A CA -1.151 50.888 52.037 0.004 0.000 0.737 80 A CB 1.400 20.395 19.000 -0.007 0.000 1.312 80 A HN 0.902 nan 8.150 nan 0.000 0.414 81 R N 0.662 121.175 120.500 0.020 0.000 2.888 81 R HA 0.800 5.140 4.340 -0.000 0.000 0.266 81 R C -1.305 175.018 176.300 0.039 0.000 1.020 81 R CA -0.830 55.287 56.100 0.029 0.000 0.963 81 R CB 0.852 31.164 30.300 0.020 0.000 1.197 81 R HN 0.486 nan 8.270 nan 0.000 0.481 82 L N 1.605 122.852 121.223 0.040 0.000 2.456 82 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 82 L C -0.131 176.733 176.870 -0.010 0.000 1.189 82 L CA -0.507 54.348 54.840 0.025 0.000 0.846 82 L CB 0.246 42.310 42.059 0.010 0.000 1.111 82 L HN 0.413 nan 8.230 nan 0.000 0.475 83 L N 2.059 123.266 121.223 -0.026 0.000 2.350 83 L HA 0.237 4.577 4.340 -0.000 0.000 0.275 83 L C 0.778 177.564 176.870 -0.139 0.000 1.099 83 L CA 0.176 54.986 54.840 -0.050 0.000 0.808 83 L CB 1.410 43.456 42.059 -0.022 0.000 1.149 83 L HN 0.697 nan 8.230 nan 0.000 0.442 84 T N 0.073 114.553 114.554 -0.123 0.000 2.855 84 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 84 T C 1.368 175.953 174.700 -0.191 0.000 1.077 84 T CA -0.348 61.657 62.100 -0.158 0.000 1.095 84 T CB 0.370 69.171 68.868 -0.111 0.000 0.987 84 T HN 0.596 nan 8.240 nan 0.000 0.546 85 L N 0.566 121.657 121.223 -0.220 0.000 2.043 85 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 85 L C 2.919 179.698 176.870 -0.152 0.000 1.075 85 L CA 2.387 57.103 54.840 -0.207 0.000 0.752 85 L CB -0.559 41.380 42.059 -0.200 0.000 0.891 85 L HN 1.026 nan 8.230 nan 0.000 0.432 86 E N -0.207 119.916 120.200 -0.129 0.000 2.085 86 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 86 E C 1.927 178.463 176.600 -0.107 0.000 0.994 86 E CA 1.861 58.197 56.400 -0.106 0.000 0.801 86 E CB -0.168 29.480 29.700 -0.087 0.000 0.743 86 E HN 0.604 nan 8.360 nan 0.000 0.453 87 E N 0.203 120.337 120.200 -0.110 0.000 2.051 87 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 87 E C 2.114 178.619 176.600 -0.160 0.000 0.991 87 E CA 1.064 57.394 56.400 -0.117 0.000 0.799 87 E CB -0.217 29.427 29.700 -0.092 0.000 0.748 87 E HN 0.449 nan 8.360 nan 0.000 0.449 88 A N 0.731 123.457 122.820 -0.157 0.000 1.902 88 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 88 A C 2.425 179.921 177.584 -0.148 0.000 1.181 88 A CA 1.312 53.251 52.037 -0.163 0.000 0.623 88 A CB -0.962 17.958 19.000 -0.133 0.000 0.818 88 A HN 0.390 nan 8.150 nan 0.000 0.443 89 C N -0.751 118.474 119.300 -0.126 0.000 2.413 89 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 89 C C 2.762 177.680 174.990 -0.119 0.000 1.248 89 C CA 1.257 60.210 59.018 -0.109 0.000 1.742 89 C CB -1.107 26.570 27.740 -0.104 0.000 2.017 89 C HN 0.594 nan 8.230 nan 0.000 0.481 90 Q N 0.145 119.870 119.800 -0.125 0.000 2.369 90 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 90 Q C 1.910 177.831 176.000 -0.131 0.000 0.963 90 Q CA 0.868 56.606 55.803 -0.109 0.000 0.894 90 Q CB -0.360 28.323 28.738 -0.091 0.000 0.965 90 Q HN 0.690 nan 8.270 nan 0.000 0.475 91 L N 0.375 121.471 121.223 -0.211 0.000 2.554 91 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 91 L C 0.386 177.145 176.870 -0.186 0.000 1.137 91 L CA 0.154 54.819 54.840 -0.293 0.000 0.863 91 L CB 0.024 41.815 42.059 -0.448 0.000 0.985 91 L HN -0.069 nan 8.230 nan 0.000 0.451 92 T N 2.034 116.498 114.554 -0.150 0.000 2.799 92 T HA 0.158 4.508 4.350 -0.000 0.000 0.296 92 T C -2.273 172.284 174.700 -0.239 0.000 0.947 92 T CA -1.041 60.971 62.100 -0.148 0.000 1.141 92 T CB 0.649 69.446 68.868 -0.118 0.000 0.891 92 T HN -0.106 nan 8.240 nan 0.000 0.533 93 P HA 0.118 nan 4.420 nan 0.000 0.266 93 P C -1.841 175.164 177.300 -0.492 0.000 1.195 93 P CA -1.398 61.452 63.100 -0.417 0.000 0.768 93 P CB 0.106 31.699 31.700 -0.180 0.000 0.838 94 P HA -0.189 nan 4.420 nan 0.000 0.217 94 P C 0.724 177.671 177.300 -0.588 0.000 1.148 94 P CA 1.780 64.495 63.100 -0.641 0.000 0.834 94 P CB -0.135 31.155 31.700 -0.685 0.000 0.783 95 H N -2.714 116.244 119.070 -0.188 0.000 2.592 95 H HA 0.241 4.797 4.556 -0.000 0.000 0.279 95 H C 0.407 175.668 175.328 -0.111 0.000 1.089 95 H CA -0.270 55.708 56.048 -0.117 0.000 1.150 95 H CB 0.094 29.805 29.762 -0.085 0.000 1.575 95 H HN 0.042 nan 8.280 nan 0.000 0.547 96 S N 1.496 117.155 115.700 -0.067 0.000 2.599 96 S HA 0.078 4.548 4.470 -0.000 0.000 0.303 96 S C 0.745 175.311 174.600 -0.057 0.000 1.267 96 S CA -0.289 57.863 58.200 -0.079 0.000 1.055 96 S CB 0.116 63.262 63.200 -0.090 0.000 0.790 96 S HN 0.509 nan 8.310 nan 0.000 0.500 97 A N 5.469 128.236 122.820 -0.088 0.000 2.566 97 A HA 0.228 4.548 4.320 -0.000 0.000 0.245 97 A C 0.741 178.310 177.584 -0.025 0.000 1.056 97 A CA -0.012 51.992 52.037 -0.055 0.000 0.757 97 A CB -0.111 18.832 19.000 -0.095 0.000 0.979 97 A HN 0.951 nan 8.150 nan 0.000 0.508 98 R N 2.364 122.846 120.500 -0.030 0.000 2.784 98 R HA 0.332 4.672 4.340 -0.000 0.000 0.266 98 R C 0.320 176.530 176.300 -0.149 0.000 1.044 98 R CA 0.310 56.361 56.100 -0.082 0.000 1.151 98 R CB 0.316 30.571 30.300 -0.075 0.000 1.037 98 R HN 0.524 nan 8.270 nan 0.000 0.478 99 S N -0.419 115.071 115.700 -0.349 0.000 2.592 99 S HA 0.050 4.520 4.470 -0.000 0.000 0.271 99 S C 0.921 175.284 174.600 -0.395 0.000 1.326 99 S CA -0.614 57.310 58.200 -0.461 0.000 1.024 99 S CB 0.826 63.353 63.200 -1.121 0.000 0.921 99 S HN 0.787 nan 8.310 nan 0.000 0.527 100 K N 2.495 122.670 120.400 -0.376 0.000 2.525 100 K HA -0.019 4.301 4.320 -0.000 0.000 0.192 100 K C -0.224 176.007 176.600 -0.615 0.000 1.029 100 K CA 1.024 57.025 56.287 -0.476 0.000 1.029 100 K CB -0.206 31.979 32.500 -0.526 0.000 0.814 100 K HN 0.715 nan 8.250 nan 0.000 0.503 101 Y N 0.915 120.973 120.300 -0.404 0.000 2.746 101 Y HA 0.300 4.850 4.550 -0.000 0.000 0.312 101 Y C 0.958 176.711 175.900 -0.246 0.000 1.117 101 Y CA -0.094 57.786 58.100 -0.366 0.000 1.324 101 Y CB 0.762 38.841 38.460 -0.635 0.000 1.173 101 Y HN 0.330 nan 8.280 nan 0.000 0.529 102 G N 0.553 109.263 108.800 -0.150 0.000 2.149 102 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.235 102 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.235 102 G C -0.337 174.629 174.900 0.111 0.000 1.018 102 G CA 0.203 45.295 45.100 -0.012 0.000 0.728 102 G HN 0.450 nan 8.290 nan 0.000 0.508 103 F N -2.079 117.861 119.950 -0.016 0.000 2.668 103 F HA 0.855 5.382 4.527 -0.000 0.000 0.309 103 F C 0.295 176.090 175.800 -0.008 0.000 1.117 103 F CA -0.943 57.051 58.000 -0.010 0.000 0.951 103 F CB 0.704 39.702 39.000 -0.004 0.000 1.323 103 F HN 0.482 nan 8.300 nan 0.000 0.451 104 G N -0.087 108.830 108.800 0.194 0.000 3.209 104 G HA2 0.568 4.528 3.960 -0.000 0.000 0.236 104 G HA3 0.568 4.528 3.960 -0.000 0.000 0.236 104 G C 0.251 175.231 174.900 0.133 0.000 1.329 104 G CA -0.599 44.550 45.100 0.081 0.000 1.015 104 G HN 1.139 nan 8.290 nan 0.000 0.571 105 A N -0.447 122.388 122.820 0.026 0.000 1.933 105 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 105 A C 2.163 179.710 177.584 -0.061 0.000 1.175 105 A CA 2.480 54.499 52.037 -0.030 0.000 0.628 105 A CB -0.512 18.418 19.000 -0.117 0.000 0.814 105 A HN 0.613 nan 8.150 nan 0.000 0.444 106 K N 0.365 120.725 120.400 -0.066 0.000 2.032 106 K HA -0.193 4.126 4.320 -0.000 0.000 0.209 106 K C 1.573 178.151 176.600 -0.038 0.000 1.048 106 K CA 2.171 58.413 56.287 -0.075 0.000 0.927 106 K CB -0.348 32.115 32.500 -0.061 0.000 0.712 106 K HN 0.390 nan 8.250 nan 0.000 0.441 107 E N -0.081 120.129 120.200 0.017 0.000 2.150 107 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 107 E C 1.933 178.505 176.600 -0.046 0.000 0.985 107 E CA 1.007 57.411 56.400 0.008 0.000 0.814 107 E CB -0.124 29.623 29.700 0.079 0.000 0.752 107 E HN 0.118 nan 8.360 nan 0.000 0.466 108 V N 0.822 120.736 119.914 -0.001 0.000 2.270 108 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 108 V C 2.077 178.123 176.094 -0.080 0.000 1.043 108 V CA 1.936 64.209 62.300 -0.046 0.000 1.014 108 V CB -0.341 31.505 31.823 0.038 0.000 0.645 108 V HN 0.202 nan 8.190 nan 0.000 0.447 109 R N 0.845 121.294 120.500 -0.085 0.000 2.152 109 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 109 R C 2.096 178.346 176.300 -0.085 0.000 1.117 109 R CA 1.514 57.554 56.100 -0.101 0.000 0.981 109 R CB -0.391 29.827 30.300 -0.137 0.000 0.870 109 R HN 0.663 nan 8.270 nan 0.000 0.451 110 S N 0.494 116.148 115.700 -0.077 0.000 2.597 110 S HA 0.143 4.613 4.470 -0.000 0.000 0.224 110 S C 0.745 175.302 174.600 -0.072 0.000 0.955 110 S CA -0.414 57.746 58.200 -0.066 0.000 0.933 110 S CB -0.313 62.854 63.200 -0.055 0.000 0.788 110 S HN 0.318 nan 8.310 nan 0.000 0.488 111 L N 1.703 122.872 121.223 -0.089 0.000 3.739 111 L HA -0.193 4.147 4.340 -0.000 0.000 0.442 111 L C 0.624 177.431 176.870 -0.105 0.000 1.241 111 L CA 0.286 55.064 54.840 -0.104 0.000 0.819 111 L CB -3.132 38.874 42.059 -0.090 0.000 1.679 111 L HN 0.611 nan 8.230 nan 0.000 0.889 112 S N -0.611 115.022 115.700 -0.112 0.000 2.573 112 S HA 0.400 4.870 4.470 -0.000 0.000 0.277 112 S C 1.602 176.126 174.600 -0.127 0.000 1.346 112 S CA -0.064 58.076 58.200 -0.100 0.000 1.034 112 S CB 1.720 64.872 63.200 -0.079 0.000 0.879 112 S HN 0.406 nan 8.310 nan 0.000 0.528 113 G N 1.614 110.360 108.800 -0.090 0.000 2.446 113 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 113 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 113 G C 1.452 176.289 174.900 -0.106 0.000 1.168 113 G CA 0.837 45.886 45.100 -0.085 0.000 0.771 113 G HN 0.830 nan 8.290 nan 0.000 0.551 114 R N 0.560 121.000 120.500 -0.099 0.000 2.081 114 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 114 R C 2.865 178.996 176.300 -0.281 0.000 1.131 114 R CA 1.528 57.575 56.100 -0.088 0.000 0.960 114 R CB -0.399 29.903 30.300 0.004 0.000 0.856 114 R HN 0.300 nan 8.270 nan 0.000 0.436 115 A N 0.310 122.794 122.820 -0.561 0.000 1.858 115 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 115 A C 2.294 179.521 177.584 -0.594 0.000 1.190 115 A CA 1.650 52.975 52.037 -1.186 0.000 0.617 115 A CB -0.747 17.685 19.000 -0.946 0.000 0.827 115 A HN 0.223 nan 8.150 nan 0.000 0.443 116 V N 1.218 120.935 119.914 -0.328 0.000 2.287 116 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 116 V C 2.334 178.346 176.094 -0.137 0.000 1.053 116 V CA 2.223 64.406 62.300 -0.195 0.000 1.027 116 V CB -0.986 30.750 31.823 -0.146 0.000 0.646 116 V HN 0.566 nan 8.190 nan 0.000 0.447 117 N N -0.490 118.143 118.700 -0.110 0.000 2.166 117 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 117 N C 1.852 177.349 175.510 -0.022 0.000 1.019 117 N CA 1.850 54.868 53.050 -0.053 0.000 0.856 117 N CB -0.442 38.029 38.487 -0.027 0.000 0.993 117 N HN 0.709 nan 8.380 nan 0.000 0.426 118 H N 0.898 119.909 119.070 -0.099 0.000 2.357 118 H HA 0.146 4.702 4.556 -0.000 0.000 0.301 118 H C 2.085 177.402 175.328 -0.019 0.000 1.082 118 H CA 1.212 57.240 56.048 -0.034 0.000 1.342 118 H CB -0.198 29.640 29.762 0.126 0.000 1.389 118 H HN 0.097 nan 8.280 nan 0.000 0.511 119 I N 0.354 120.891 120.570 -0.055 0.000 2.286 119 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 119 I C 2.297 178.384 176.117 -0.049 0.000 1.115 119 I CA 1.304 62.576 61.300 -0.047 0.000 1.392 119 I CB -0.225 37.760 38.000 -0.026 0.000 1.065 119 I HN 0.260 nan 8.210 nan 0.000 0.418 120 K N 0.559 120.924 120.400 -0.059 0.000 2.097 120 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 120 K C 2.318 178.928 176.600 0.017 0.000 1.049 120 K CA 1.857 58.139 56.287 -0.008 0.000 0.933 120 K CB -0.177 32.304 32.500 -0.031 0.000 0.717 120 K HN 0.405 nan 8.250 nan 0.000 0.442 121 S N 0.236 115.888 115.700 -0.080 0.000 2.436 121 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 121 S C 2.082 176.596 174.600 -0.144 0.000 1.014 121 S CA 0.516 58.655 58.200 -0.102 0.000 0.950 121 S CB -0.232 62.893 63.200 -0.125 0.000 0.784 121 S HN -0.016 nan 8.310 nan 0.000 0.504 122 V N 1.026 120.807 119.914 -0.223 0.000 2.307 122 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 122 V C 2.238 178.327 176.094 -0.009 0.000 1.045 122 V CA 1.808 64.009 62.300 -0.166 0.000 1.024 122 V CB -0.981 30.730 31.823 -0.185 0.000 0.651 122 V HN 0.725 nan 8.190 nan 0.000 0.449 123 W N 1.337 122.566 121.300 -0.118 0.000 2.354 123 W HA -0.240 4.419 4.660 -0.000 0.000 0.315 123 W C 2.538 179.019 176.519 -0.063 0.000 1.206 123 W CA 2.332 59.633 57.345 -0.074 0.000 1.290 123 W CB -0.194 29.229 29.460 -0.061 0.000 1.152 123 W HN 0.225 nan 8.180 nan 0.000 0.489 124 K N 0.527 120.965 120.400 0.062 0.000 2.063 124 K HA -0.288 4.032 4.320 -0.000 0.000 0.208 124 K C 1.751 178.282 176.600 -0.116 0.000 1.048 124 K CA 2.346 58.612 56.287 -0.036 0.000 0.928 124 K CB -0.610 31.901 32.500 0.018 0.000 0.713 124 K HN 0.043 nan 8.250 nan 0.000 0.442 125 D N 0.146 120.483 120.400 -0.105 0.000 2.144 125 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 125 D C 1.933 178.144 176.300 -0.148 0.000 0.984 125 D CA 0.870 54.805 54.000 -0.108 0.000 0.834 125 D CB 0.065 40.810 40.800 -0.092 0.000 0.955 125 D HN 0.219 nan 8.370 nan 0.000 0.465 126 L N -0.114 120.980 121.223 -0.215 0.000 2.083 126 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 126 L C 2.387 179.071 176.870 -0.310 0.000 1.083 126 L CA 0.693 55.363 54.840 -0.283 0.000 0.752 126 L CB -0.278 41.540 42.059 -0.401 0.000 0.899 126 L HN 0.227 nan 8.230 nan 0.000 0.433 127 L N -0.751 120.252 121.223 -0.366 0.000 2.217 127 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 127 L C 2.450 179.229 176.870 -0.151 0.000 1.107 127 L CA 1.052 55.722 54.840 -0.283 0.000 0.783 127 L CB -0.309 41.580 42.059 -0.284 0.000 0.919 127 L HN 0.355 nan 8.230 nan 0.000 0.442 128 E N -0.379 119.746 120.200 -0.125 0.000 2.307 128 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 128 E C -0.002 176.562 176.600 -0.061 0.000 0.975 128 E CA 0.143 56.497 56.400 -0.076 0.000 0.878 128 E CB 0.616 30.280 29.700 -0.061 0.000 0.845 128 E HN 0.162 nan 8.360 nan 0.000 0.488 129 D N 0.682 121.038 120.400 -0.074 0.000 2.462 129 D HA 0.159 4.799 4.640 -0.000 0.000 0.245 129 D C -2.202 174.060 176.300 -0.064 0.000 1.122 129 D CA -2.424 51.542 54.000 -0.056 0.000 0.864 129 D CB 1.904 42.673 40.800 -0.052 0.000 1.098 129 D HN -0.061 nan 8.370 nan 0.000 0.541 130 P HA 0.102 nan 4.420 nan 0.000 0.261 130 P C 0.469 177.729 177.300 -0.067 0.000 1.352 130 P CA 0.232 63.306 63.100 -0.043 0.000 0.891 130 P CB 1.076 32.819 31.700 0.071 0.000 1.383 131 Q N -0.236 119.536 119.800 -0.046 0.000 2.619 131 Q HA 0.149 4.489 4.340 -0.000 0.000 0.230 131 Q C 0.282 176.266 176.000 -0.026 0.000 0.871 131 Q CA 1.060 56.845 55.803 -0.032 0.000 0.934 131 Q CB -0.462 28.269 28.738 -0.012 0.000 1.183 131 Q HN -0.098 nan 8.270 nan 0.000 0.631 132 T N 4.149 118.691 114.554 -0.020 0.000 2.793 132 T HA 0.215 4.565 4.350 -0.000 0.000 0.289 132 T C -2.548 172.150 174.700 -0.003 0.000 0.956 132 T CA -0.841 61.258 62.100 -0.002 0.000 1.177 132 T CB 0.672 69.541 68.868 0.002 0.000 0.897 132 T HN 0.130 nan 8.240 nan 0.000 0.533 133 P HA 0.131 nan 4.420 nan 0.000 0.265 133 P C -0.241 177.070 177.300 0.019 0.000 1.193 133 P CA -0.056 63.056 63.100 0.019 0.000 0.765 133 P CB 0.326 32.071 31.700 0.075 0.000 0.823 134 I N 5.909 126.473 120.570 -0.008 0.000 2.342 134 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 134 I C -1.680 174.458 176.117 0.035 0.000 1.010 134 I CA -2.387 58.919 61.300 0.010 0.000 1.308 134 I CB 1.113 39.102 38.000 -0.018 0.000 1.400 134 I HN 0.219 nan 8.210 nan 0.000 0.488 135 P HA 0.112 nan 4.420 nan 0.000 0.269 135 P C -0.609 176.749 177.300 0.097 0.000 1.209 135 P CA -0.111 63.095 63.100 0.178 0.000 0.776 135 P CB 0.701 32.486 31.700 0.141 0.000 0.876 136 T N -1.660 112.962 114.554 0.113 0.000 2.916 136 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 136 T C -0.348 174.333 174.700 -0.033 0.000 1.064 136 T CA -0.677 61.411 62.100 -0.020 0.000 1.011 136 T CB 1.059 69.892 68.868 -0.057 0.000 1.152 136 T HN 0.243 nan 8.240 nan 0.000 0.510 137 T N 1.825 116.188 114.554 -0.319 0.000 2.824 137 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 137 T C -0.425 174.088 174.700 -0.311 0.000 0.995 137 T CA -0.649 61.249 62.100 -0.337 0.000 1.009 137 T CB 0.889 69.424 68.868 -0.556 0.000 0.955 137 T HN 0.722 nan 8.240 nan 0.000 0.452 138 I N 3.977 124.496 120.570 -0.085 0.000 2.354 138 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 138 I C -1.008 175.152 176.117 0.072 0.000 0.989 138 I CA -0.827 60.483 61.300 0.016 0.000 1.188 138 I CB 0.670 38.706 38.000 0.060 0.000 1.342 138 I HN 0.395 nan 8.210 nan 0.000 0.457 139 M N 6.521 126.205 119.600 0.139 0.000 2.518 139 M HA 0.455 4.935 4.480 -0.000 0.000 0.300 139 M C -0.451 175.920 176.300 0.119 0.000 1.175 139 M CA -0.593 54.795 55.300 0.147 0.000 0.890 139 M CB 1.814 34.546 32.600 0.221 0.000 1.710 139 M HN 0.608 nan 8.290 nan 0.000 0.453 140 A N 2.577 125.448 122.820 0.086 0.000 2.354 140 A HA 0.364 4.684 4.320 -0.000 0.000 0.281 140 A C 0.073 177.700 177.584 0.071 0.000 1.174 140 A CA -0.277 51.803 52.037 0.071 0.000 0.828 140 A CB 0.085 19.115 19.000 0.050 0.000 1.099 140 A HN 0.791 nan 8.150 nan 0.000 0.516 141 K N 2.031 122.475 120.400 0.074 0.000 2.350 141 K HA 0.085 4.405 4.320 -0.000 0.000 0.279 141 K C -0.537 176.082 176.600 0.032 0.000 1.027 141 K CA 0.191 56.511 56.287 0.055 0.000 0.969 141 K CB 0.164 32.706 32.500 0.069 0.000 0.954 141 K HN 0.788 nan 8.250 nan 0.000 0.474 142 N N 3.288 121.981 118.700 -0.010 0.000 2.589 142 N HA 0.115 4.855 4.740 -0.000 0.000 0.232 142 N C -1.428 173.984 175.510 -0.164 0.000 1.015 142 N CA -0.338 52.672 53.050 -0.067 0.000 0.931 142 N CB 0.984 39.432 38.487 -0.064 0.000 1.150 142 N HN 0.429 nan 8.380 nan 0.000 0.512 143 E N 0.610 120.696 120.200 -0.190 0.000 2.277 143 E HA 0.475 4.825 4.350 -0.000 0.000 0.266 143 E C -0.840 175.366 176.600 -0.658 0.000 0.901 143 E CA -1.024 55.145 56.400 -0.385 0.000 0.782 143 E CB 2.441 31.968 29.700 -0.288 0.000 1.228 143 E HN 0.061 nan 8.360 nan 0.000 0.424 144 V N 3.010 122.384 119.914 -0.900 0.000 2.427 144 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 144 V C -0.835 174.566 176.094 -1.155 0.000 1.034 144 V CA -0.289 61.461 62.300 -0.916 0.000 0.893 144 V CB 0.224 31.618 31.823 -0.715 0.000 0.982 144 V HN 0.503 nan 8.190 nan 0.000 0.452 145 F N 2.225 121.780 119.950 -0.657 0.000 2.650 145 F HA 0.597 5.124 4.527 0.000 0.000 0.320 145 F C 0.114 175.706 175.800 -0.348 0.000 1.091 145 F CA -0.752 56.949 58.000 -0.499 0.000 0.962 145 F CB 1.325 40.023 39.000 -0.504 0.000 1.363 145 F HN 0.503 nan 8.300 nan 0.000 0.482 146 C N 2.779 122.174 119.300 0.157 0.000 2.365 146 C HA 0.777 5.237 4.460 -0.000 0.000 0.351 146 C C 0.092 175.303 174.990 0.368 0.000 1.240 146 C CA -0.716 58.436 59.018 0.223 0.000 2.062 146 C CB -0.122 27.705 27.740 0.145 0.000 2.387 146 C HN 0.698 nan 8.230 nan 0.000 0.537 147 V N 3.473 123.620 119.914 0.389 0.000 2.872 147 V HA 0.321 4.441 4.120 -0.000 0.000 0.307 147 V C -0.044 176.135 176.094 0.140 0.000 1.072 147 V CA 0.365 62.824 62.300 0.264 0.000 1.148 147 V CB 0.900 32.796 31.823 0.122 0.000 0.954 147 V HN 0.900 nan 8.190 nan 0.000 0.490 148 D N 4.016 124.462 120.400 0.077 0.000 2.346 148 D HA 0.478 5.118 4.640 -0.000 0.000 0.255 148 D C -2.047 174.254 176.300 0.001 0.000 1.276 148 D CA -1.996 52.025 54.000 0.035 0.000 0.941 148 D CB 2.105 42.921 40.800 0.028 0.000 1.199 148 D HN 0.345 nan 8.370 nan 0.000 0.537 149 P HA -0.016 nan 4.420 nan 0.000 0.221 149 P C 1.160 178.448 177.300 -0.020 0.000 1.150 149 P CA 0.668 63.756 63.100 -0.019 0.000 0.800 149 P CB 0.320 32.009 31.700 -0.019 0.000 0.787 150 A N 0.364 123.175 122.820 -0.014 0.000 1.940 150 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 150 A C 1.807 179.378 177.584 -0.020 0.000 1.176 150 A CA 1.531 53.559 52.037 -0.016 0.000 0.631 150 A CB -0.886 18.106 19.000 -0.013 0.000 0.814 150 A HN 0.180 nan 8.150 nan 0.000 0.446 151 K N -1.389 118.998 120.400 -0.022 0.000 2.576 151 K HA 0.334 4.654 4.320 -0.000 0.000 0.209 151 K C 0.545 177.122 176.600 -0.038 0.000 1.049 151 K CA 0.346 56.615 56.287 -0.029 0.000 1.140 151 K CB 0.083 32.565 32.500 -0.031 0.000 0.871 151 K HN 0.613 nan 8.250 nan 0.000 0.479 152 G N 0.614 109.391 108.800 -0.039 0.000 2.132 152 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.228 152 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.228 152 G C 0.633 175.492 174.900 -0.069 0.000 1.000 152 G CA 0.118 45.189 45.100 -0.048 0.000 0.693 152 G HN 0.616 nan 8.290 nan 0.000 0.515 153 G N -0.281 108.478 108.800 -0.070 0.000 2.950 153 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.299 153 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.299 153 G C 0.278 175.071 174.900 -0.179 0.000 1.310 153 G CA 0.995 46.029 45.100 -0.110 0.000 0.994 153 G HN 1.231 nan 8.290 nan 0.000 0.575 154 K N 1.526 121.761 120.400 -0.276 0.000 2.182 154 K HA 0.479 4.799 4.320 -0.000 0.000 0.262 154 K C -0.233 176.258 176.600 -0.181 0.000 0.957 154 K CA -0.673 55.337 56.287 -0.462 0.000 0.842 154 K CB 1.809 33.871 32.500 -0.730 0.000 1.099 154 K HN 0.399 nan 8.250 nan 0.000 0.438 155 K N 3.536 123.915 120.400 -0.036 0.000 2.249 155 K HA 0.211 4.531 4.320 -0.000 0.000 0.280 155 K C -2.197 174.433 176.600 0.049 0.000 1.033 155 K CA -1.678 54.592 56.287 -0.030 0.000 0.946 155 K CB 0.348 32.746 32.500 -0.171 0.000 1.005 155 K HN 0.370 nan 8.250 nan 0.000 0.469 156 P HA 0.017 nan 4.420 nan 0.000 0.274 156 P C -0.691 176.657 177.300 0.079 0.000 1.231 156 P CA -0.380 62.746 63.100 0.044 0.000 0.790 156 P CB 0.634 32.340 31.700 0.011 0.000 0.951 157 A N 3.852 126.728 122.820 0.094 0.000 2.565 157 A HA 0.009 4.329 4.320 -0.000 0.000 0.237 157 A C 0.732 178.370 177.584 0.089 0.000 1.053 157 A CA 0.088 52.188 52.037 0.106 0.000 0.755 157 A CB -0.399 18.650 19.000 0.082 0.000 0.980 157 A HN 0.456 nan 8.150 nan 0.000 0.506 158 R N 0.785 121.352 120.500 0.112 0.000 2.641 158 R HA 0.363 4.703 4.340 -0.000 0.000 0.269 158 R C -0.729 175.630 176.300 0.099 0.000 1.074 158 R CA -0.101 56.064 56.100 0.109 0.000 1.133 158 R CB 0.328 30.706 30.300 0.130 0.000 1.029 158 R HN 0.659 nan 8.270 nan 0.000 0.488 159 L N 3.241 124.526 121.223 0.103 0.000 2.307 159 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 159 L C -0.307 176.646 176.870 0.138 0.000 1.023 159 L CA -0.821 54.082 54.840 0.104 0.000 0.810 159 L CB 1.437 43.541 42.059 0.076 0.000 1.231 159 L HN 0.461 nan 8.230 nan 0.000 0.423 160 I N 3.694 124.360 120.570 0.160 0.000 2.354 160 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 160 I C -0.729 175.544 176.117 0.261 0.000 0.989 160 I CA -0.274 61.154 61.300 0.212 0.000 1.188 160 I CB 1.638 39.759 38.000 0.202 0.000 1.342 160 I HN 0.220 nan 8.210 nan 0.000 0.457 161 V N 9.192 129.252 119.914 0.244 0.000 2.407 161 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 161 V C -1.050 175.181 176.094 0.228 0.000 1.018 161 V CA -0.530 61.867 62.300 0.163 0.000 0.842 161 V CB 0.897 32.799 31.823 0.131 0.000 0.996 161 V HN 0.669 nan 8.190 nan 0.000 0.426 162 Y N 4.735 125.086 120.300 0.085 0.000 2.571 162 Y HA 0.913 5.463 4.550 -0.000 0.000 0.341 162 Y C -3.172 172.776 175.900 0.081 0.000 1.076 162 Y CA -2.880 55.271 58.100 0.084 0.000 1.029 162 Y CB 1.932 40.435 38.460 0.072 0.000 1.308 162 Y HN 0.415 nan 8.280 nan 0.000 0.461 163 P HA 0.185 nan 4.420 nan 0.000 0.284 163 P C -0.972 176.454 177.300 0.209 0.000 1.292 163 P CA -0.243 62.934 63.100 0.129 0.000 0.800 163 P CB 1.182 32.960 31.700 0.130 0.000 1.188 164 D N -0.996 119.498 120.400 0.157 0.000 2.423 164 D HA -0.035 4.604 4.640 -0.000 0.000 0.238 164 D C 1.373 177.787 176.300 0.190 0.000 1.142 164 D CA -0.270 53.835 54.000 0.174 0.000 0.884 164 D CB 0.258 41.182 40.800 0.206 0.000 1.199 164 D HN 0.088 nan 8.370 nan 0.000 0.438 165 L N 3.856 125.168 121.223 0.148 0.000 2.034 165 L HA -0.126 4.214 4.340 -0.000 0.000 0.217 165 L C 2.071 179.078 176.870 0.228 0.000 1.077 165 L CA 2.711 57.637 54.840 0.143 0.000 0.769 165 L CB -1.180 40.919 42.059 0.068 0.000 0.890 165 L HN 0.697 nan 8.230 nan 0.000 0.435 166 G N -1.345 107.643 108.800 0.313 0.000 2.476 166 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 166 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 166 G C 1.562 176.594 174.900 0.221 0.000 1.164 166 G CA 1.329 46.658 45.100 0.383 0.000 0.768 166 G HN 0.379 nan 8.290 nan 0.000 0.560 167 V N 0.863 120.890 119.914 0.188 0.000 2.332 167 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 167 V C 2.928 179.112 176.094 0.150 0.000 1.055 167 V CA 2.107 64.493 62.300 0.142 0.000 1.038 167 V CB -0.510 31.383 31.823 0.116 0.000 0.651 167 V HN 0.348 nan 8.190 nan 0.000 0.450 168 R N -0.305 120.289 120.500 0.156 0.000 2.120 168 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 168 R C 2.203 178.570 176.300 0.111 0.000 1.123 168 R CA 1.385 57.567 56.100 0.137 0.000 0.975 168 R CB -0.565 29.806 30.300 0.118 0.000 0.866 168 R HN 0.445 nan 8.270 nan 0.000 0.446 169 V N 0.288 120.268 119.914 0.110 0.000 2.427 169 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 169 V C 2.462 178.600 176.094 0.073 0.000 1.051 169 V CA 1.463 63.801 62.300 0.064 0.000 1.048 169 V CB -0.437 31.420 31.823 0.057 0.000 0.666 169 V HN 0.435 nan 8.190 nan 0.000 0.456 170 C N -0.117 119.271 119.300 0.147 0.000 2.446 170 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 170 C C 2.674 177.842 174.990 0.296 0.000 1.275 170 C CA 0.773 59.955 59.018 0.274 0.000 1.727 170 C CB -0.935 27.028 27.740 0.372 0.000 2.010 170 C HN 0.615 nan 8.230 nan 0.000 0.486 171 E N 0.947 121.277 120.200 0.215 0.000 2.070 171 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 171 E C 2.128 178.841 176.600 0.187 0.000 1.004 171 E CA 1.424 57.954 56.400 0.217 0.000 0.805 171 E CB -0.180 29.651 29.700 0.220 0.000 0.744 171 E HN 0.641 nan 8.360 nan 0.000 0.451 172 K N 0.256 120.735 120.400 0.132 0.000 2.057 172 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 172 K C 2.203 178.861 176.600 0.097 0.000 1.049 172 K CA 1.444 57.794 56.287 0.106 0.000 0.931 172 K CB -0.142 32.354 32.500 -0.006 0.000 0.714 172 K HN 0.116 nan 8.250 nan 0.000 0.440 173 M N 0.248 119.868 119.600 0.033 0.000 2.108 173 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 173 M C 2.400 178.742 176.300 0.070 0.000 1.066 173 M CA 1.807 57.060 55.300 -0.078 0.000 1.107 173 M CB -0.305 32.046 32.600 -0.415 0.000 1.356 173 M HN 0.258 nan 8.290 nan 0.000 0.406 174 A N -0.564 122.410 122.820 0.257 0.000 1.898 174 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 174 A C 1.850 179.523 177.584 0.149 0.000 1.183 174 A CA 1.205 53.429 52.037 0.312 0.000 0.622 174 A CB -0.200 19.010 19.000 0.349 0.000 0.824 174 A HN 0.481 nan 8.150 nan 0.000 0.444 175 L N -3.173 118.117 121.223 0.112 0.000 2.878 175 L HA 0.204 4.544 4.340 -0.000 0.000 0.253 175 L C 1.885 178.750 176.870 -0.008 0.000 1.135 175 L CA 0.063 54.903 54.840 -0.001 0.000 0.943 175 L CB 0.084 42.115 42.059 -0.046 0.000 1.307 175 L HN 0.456 nan 8.230 nan 0.000 0.545 176 Y N 1.356 121.640 120.300 -0.027 0.000 2.145 176 Y HA -0.306 4.244 4.550 -0.000 0.000 0.286 176 Y C 2.191 178.072 175.900 -0.032 0.000 1.145 176 Y CA 2.187 60.269 58.100 -0.030 0.000 1.148 176 Y CB 0.048 38.496 38.460 -0.019 0.000 0.981 176 Y HN 0.228 nan 8.280 nan 0.000 0.507 177 D N -0.048 120.315 120.400 -0.061 0.000 2.178 177 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 177 D C 2.103 178.293 176.300 -0.183 0.000 0.980 177 D CA 1.516 55.439 54.000 -0.127 0.000 0.842 177 D CB -0.332 40.467 40.800 -0.001 0.000 0.948 177 D HN 0.516 nan 8.370 nan 0.000 0.472 178 I N 0.285 120.760 120.570 -0.157 0.000 2.226 178 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 178 I C 2.373 178.359 176.117 -0.218 0.000 1.100 178 I CA 1.616 62.818 61.300 -0.164 0.000 1.374 178 I CB -0.635 37.254 38.000 -0.185 0.000 1.057 178 I HN 0.197 nan 8.210 nan 0.000 0.413 179 T N -1.819 112.562 114.554 -0.288 0.000 2.929 179 T HA -0.162 4.188 4.350 -0.000 0.000 0.271 179 T C 1.712 176.242 174.700 -0.285 0.000 1.085 179 T CA 0.834 62.766 62.100 -0.281 0.000 1.125 179 T CB -0.136 68.567 68.868 -0.275 0.000 0.874 179 T HN 0.254 nan 8.240 nan 0.000 0.494 180 Q N 0.660 120.255 119.800 -0.343 0.000 2.389 180 Q HA 0.218 4.558 4.340 -0.000 0.000 0.204 180 Q C 1.721 177.632 176.000 -0.148 0.000 0.944 180 Q CA 0.942 56.598 55.803 -0.246 0.000 0.908 180 Q CB 0.203 28.773 28.738 -0.281 0.000 1.002 180 Q HN 0.655 nan 8.270 nan 0.000 0.493 181 K N -1.173 119.133 120.400 -0.157 0.000 2.493 181 K HA 0.108 4.428 4.320 -0.000 0.000 0.201 181 K C 1.636 178.152 176.600 -0.140 0.000 1.355 181 K CA -0.128 56.088 56.287 -0.118 0.000 0.953 181 K CB 0.238 32.688 32.500 -0.084 0.000 1.316 181 K HN -0.073 nan 8.250 nan 0.000 0.522 182 L N 2.776 123.908 121.223 -0.153 0.000 2.027 182 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 182 L C -1.362 175.381 176.870 -0.212 0.000 1.074 182 L CA 1.844 56.606 54.840 -0.130 0.000 0.745 182 L CB -0.656 41.369 42.059 -0.057 0.000 0.898 182 L HN -0.015 nan 8.230 nan 0.000 0.433 183 P HA -0.139 nan 4.420 nan 0.000 0.217 183 P C 1.364 178.375 177.300 -0.481 0.000 1.151 183 P CA 1.240 64.001 63.100 -0.565 0.000 0.828 183 P CB 0.000 30.975 31.700 -1.208 0.000 0.788 184 Q N -0.120 119.448 119.800 -0.385 0.000 2.124 184 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 184 Q C 2.292 178.211 176.000 -0.135 0.000 0.977 184 Q CA 1.967 57.663 55.803 -0.178 0.000 0.850 184 Q CB -1.250 27.433 28.738 -0.092 0.000 0.901 184 Q HN 0.193 nan 8.270 nan 0.000 0.429 185 A N 0.255 122.998 122.820 -0.130 0.000 1.930 185 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 185 A C 2.238 179.773 177.584 -0.083 0.000 1.175 185 A CA 1.650 53.637 52.037 -0.083 0.000 0.627 185 A CB -0.767 18.195 19.000 -0.065 0.000 0.815 185 A HN 0.339 nan 8.150 nan 0.000 0.443 186 V N -2.707 117.134 119.914 -0.121 0.000 2.725 186 V HA 0.092 4.212 4.120 -0.000 0.000 0.247 186 V C 1.767 177.752 176.094 -0.182 0.000 1.058 186 V CA 1.753 63.991 62.300 -0.103 0.000 1.080 186 V CB -0.332 31.446 31.823 -0.076 0.000 0.713 186 V HN 0.674 nan 8.190 nan 0.000 0.465 187 M N -1.270 118.139 119.600 -0.319 0.000 2.327 187 M HA 0.640 5.120 4.480 -0.000 0.000 0.365 187 M C 1.170 177.337 176.300 -0.221 0.000 0.992 187 M CA 0.397 55.410 55.300 -0.478 0.000 0.985 187 M CB 0.628 32.549 32.600 -1.131 0.000 1.673 187 M HN 0.413 nan 8.290 nan 0.000 0.586 188 G N 2.548 111.266 108.800 -0.136 0.000 2.698 188 G HA2 -0.469 3.491 3.960 -0.000 0.000 0.337 188 G HA3 -0.469 3.491 3.960 -0.000 0.000 0.337 188 G C 0.957 175.815 174.900 -0.071 0.000 1.286 188 G CA 1.763 46.823 45.100 -0.067 0.000 1.000 188 G HN 0.921 nan 8.290 nan 0.000 0.547 189 A N -0.769 122.032 122.820 -0.032 0.000 2.125 189 A HA 0.251 4.571 4.320 -0.000 0.000 0.219 189 A C 2.593 180.004 177.584 -0.289 0.000 1.156 189 A CA 2.503 54.487 52.037 -0.087 0.000 0.671 189 A CB -0.466 18.584 19.000 0.083 0.000 0.794 189 A HN 1.138 nan 8.150 nan 0.000 0.459 190 S N -1.536 114.102 115.700 -0.104 0.000 2.453 190 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 190 S C 0.547 175.098 174.600 -0.082 0.000 1.005 190 S CA 0.074 58.251 58.200 -0.039 0.000 0.949 190 S CB -0.323 62.898 63.200 0.035 0.000 0.774 190 S HN 0.628 nan 8.310 nan 0.000 0.510 191 Y N 3.122 123.250 120.300 -0.288 0.000 2.531 191 Y HA 0.458 5.008 4.550 0.000 0.000 0.347 191 Y C 1.191 176.856 175.900 -0.391 0.000 1.024 191 Y CA -1.375 56.552 58.100 -0.288 0.000 1.306 191 Y CB 0.039 38.345 38.460 -0.257 0.000 1.149 191 Y HN 0.031 nan 8.280 nan 0.000 0.527 192 G N 4.423 112.852 108.800 -0.619 0.000 2.464 192 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 192 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 192 G C 1.035 175.495 174.900 -0.734 0.000 1.138 192 G CA 0.054 44.803 45.100 -0.584 0.000 0.793 192 G HN 0.635 nan 8.290 nan 0.000 0.539 193 F N 1.493 120.894 119.950 -0.916 0.000 2.546 193 F HA 0.005 4.532 4.527 0.000 0.000 0.298 193 F C 2.859 178.427 175.800 -0.387 0.000 1.120 193 F CA 0.969 58.666 58.000 -0.506 0.000 1.456 193 F CB -0.058 38.729 39.000 -0.355 0.000 1.088 193 F HN 0.376 nan 8.300 nan 0.000 0.572 194 Q N -0.904 118.539 119.800 -0.596 0.000 2.451 194 Q HA -0.076 4.264 4.340 -0.000 0.000 0.206 194 Q C -0.583 175.289 176.000 -0.215 0.000 0.947 194 Q CA 0.683 56.299 55.803 -0.312 0.000 0.937 194 Q CB -0.283 28.236 28.738 -0.365 0.000 1.025 194 Q HN 0.266 nan 8.270 nan 0.000 0.511 195 Y N 1.877 122.131 120.300 -0.078 0.000 2.342 195 Y HA 0.298 4.848 4.550 0.000 0.000 0.334 195 Y C 0.580 176.226 175.900 -0.423 0.000 1.067 195 Y CA -1.531 56.472 58.100 -0.161 0.000 1.128 195 Y CB 1.515 39.870 38.460 -0.175 0.000 1.200 195 Y HN 0.103 nan 8.280 nan 0.000 0.464 196 S N 2.832 118.275 115.700 -0.427 0.000 2.589 196 S HA 0.170 4.640 4.470 -0.000 0.000 0.265 196 S C -1.936 172.396 174.600 -0.447 0.000 1.342 196 S CA -0.943 56.667 58.200 -0.985 0.000 1.005 196 S CB 1.123 64.046 63.200 -0.463 0.000 0.909 196 S HN 0.442 nan 8.310 nan 0.000 0.555 197 P HA -0.151 nan 4.420 nan 0.000 0.216 197 P C 1.577 178.841 177.300 -0.059 0.000 1.157 197 P CA 2.309 65.344 63.100 -0.108 0.000 0.880 197 P CB -0.297 31.407 31.700 0.006 0.000 0.791 198 A N -0.872 121.912 122.820 -0.061 0.000 1.969 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 198 A C 2.192 179.732 177.584 -0.075 0.000 1.169 198 A CA 1.492 53.519 52.037 -0.017 0.000 0.635 198 A CB -1.134 17.864 19.000 -0.002 0.000 0.810 198 A HN 0.229 nan 8.150 nan 0.000 0.445 199 Q N -1.117 118.611 119.800 -0.121 0.000 2.172 199 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 199 Q C 2.313 178.053 176.000 -0.433 0.000 0.964 199 Q CA 1.180 56.867 55.803 -0.195 0.000 0.855 199 Q CB -0.111 28.599 28.738 -0.047 0.000 0.918 199 Q HN 0.678 nan 8.270 nan 0.000 0.444 200 R N 0.259 120.568 120.500 -0.319 0.000 2.075 200 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 200 R C 2.066 178.262 176.300 -0.172 0.000 1.126 200 R CA 1.060 56.983 56.100 -0.294 0.000 0.963 200 R CB -0.058 30.179 30.300 -0.105 0.000 0.858 200 R HN 0.092 nan 8.270 nan 0.000 0.435 201 V N 1.181 121.024 119.914 -0.117 0.000 2.343 201 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 201 V C 2.321 178.344 176.094 -0.119 0.000 1.051 201 V CA 2.217 64.463 62.300 -0.090 0.000 1.036 201 V CB -0.559 31.253 31.823 -0.019 0.000 0.654 201 V HN 0.483 nan 8.190 nan 0.000 0.451 202 E N -0.762 119.368 120.200 -0.116 0.000 2.077 202 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 202 E C 2.214 178.751 176.600 -0.104 0.000 0.989 202 E CA 1.729 58.066 56.400 -0.104 0.000 0.800 202 E CB -0.242 29.409 29.700 -0.083 0.000 0.746 202 E HN 0.689 nan 8.360 nan 0.000 0.452 203 Y N 1.065 121.186 120.300 -0.299 0.000 2.163 203 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 203 Y C 1.973 177.775 175.900 -0.163 0.000 1.136 203 Y CA 1.493 59.429 58.100 -0.273 0.000 1.147 203 Y CB -0.279 37.890 38.460 -0.485 0.000 0.987 203 Y HN 0.024 nan 8.280 nan 0.000 0.509 204 L N -0.724 120.369 121.223 -0.217 0.000 2.056 204 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 204 L C 2.471 179.223 176.870 -0.197 0.000 1.078 204 L CA 1.178 55.876 54.840 -0.238 0.000 0.749 204 L CB -0.630 41.336 42.059 -0.155 0.000 0.901 204 L HN 0.278 nan 8.230 nan 0.000 0.433 205 L N -0.229 120.874 121.223 -0.200 0.000 2.012 205 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 205 L C 2.739 179.545 176.870 -0.107 0.000 1.073 205 L CA 1.441 56.169 54.840 -0.187 0.000 0.748 205 L CB -0.512 41.378 42.059 -0.282 0.000 0.891 205 L HN 0.264 nan 8.230 nan 0.000 0.431 206 K N 0.226 120.540 120.400 -0.142 0.000 2.032 206 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 206 K C 2.152 178.666 176.600 -0.144 0.000 1.048 206 K CA 1.516 57.729 56.287 -0.124 0.000 0.927 206 K CB -0.145 32.288 32.500 -0.112 0.000 0.712 206 K HN 0.276 nan 8.250 nan 0.000 0.441 207 A N 1.353 124.015 122.820 -0.263 0.000 1.892 207 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 207 A C 2.057 179.597 177.584 -0.073 0.000 1.188 207 A CA 1.532 53.427 52.037 -0.237 0.000 0.631 207 A CB -1.196 17.576 19.000 -0.381 0.000 0.822 207 A HN 0.749 nan 8.150 nan 0.000 0.447 208 W N 0.232 121.404 121.300 -0.213 0.000 2.381 208 W HA -0.077 4.582 4.660 -0.001 0.000 0.301 208 W C 2.385 178.834 176.519 -0.116 0.000 1.205 208 W CA 1.591 58.845 57.345 -0.152 0.000 1.285 208 W CB -0.117 29.251 29.460 -0.154 0.000 1.133 208 W HN 0.433 nan 8.180 nan 0.000 0.521 209 A N 0.963 123.807 122.820 0.041 0.000 2.014 209 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 209 A C 1.762 179.296 177.584 -0.083 0.000 1.163 209 A CA 1.681 53.705 52.037 -0.022 0.000 0.652 209 A CB -0.857 18.138 19.000 -0.008 0.000 0.808 209 A HN 0.596 nan 8.150 nan 0.000 0.449 210 E N -0.310 119.832 120.200 -0.097 0.000 2.427 210 E HA -0.034 4.316 4.350 -0.000 0.000 0.196 210 E C -0.142 176.385 176.600 -0.122 0.000 1.028 210 E CA 0.159 56.503 56.400 -0.093 0.000 0.864 210 E CB 0.008 29.663 29.700 -0.075 0.000 0.813 210 E HN 0.175 nan 8.360 nan 0.000 0.514 211 K N 1.817 122.101 120.400 -0.193 0.000 2.174 211 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 211 K C 0.444 176.927 176.600 -0.195 0.000 1.015 211 K CA -0.247 55.912 56.287 -0.213 0.000 0.933 211 K CB 1.805 34.117 32.500 -0.313 0.000 1.025 211 K HN -0.041 nan 8.250 nan 0.000 0.463 212 K N 0.772 121.089 120.400 -0.138 0.000 2.097 212 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 212 K C -0.287 176.237 176.600 -0.127 0.000 1.050 212 K CA 1.582 57.804 56.287 -0.108 0.000 0.938 212 K CB 0.278 32.734 32.500 -0.073 0.000 0.718 212 K HN 0.506 nan 8.250 nan 0.000 0.442 213 D N 0.528 120.838 120.400 -0.151 0.000 2.429 213 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 213 D C -2.797 173.378 176.300 -0.208 0.000 1.257 213 D CA -2.150 51.766 54.000 -0.140 0.000 0.890 213 D CB 1.342 42.101 40.800 -0.069 0.000 1.267 213 D HN -0.012 nan 8.370 nan 0.000 0.521 214 P HA 0.174 nan 4.420 nan 0.000 0.271 214 P C -0.294 176.703 177.300 -0.505 0.000 1.216 214 P CA -0.453 62.194 63.100 -0.755 0.000 0.771 214 P CB 0.854 31.444 31.700 -1.850 0.000 0.864 215 M N 2.720 122.129 119.600 -0.319 0.000 2.393 215 M HA 0.629 5.109 4.480 -0.000 0.000 0.299 215 M C -0.926 175.330 176.300 -0.073 0.000 1.103 215 M CA -0.329 54.844 55.300 -0.213 0.000 0.910 215 M CB 2.364 34.880 32.600 -0.140 0.000 1.659 215 M HN 0.517 nan 8.290 nan 0.000 0.445 216 G N 3.885 112.724 108.800 0.066 0.000 2.533 216 G HA2 0.845 4.805 3.960 -0.000 0.000 0.304 216 G HA3 0.845 4.805 3.960 -0.000 0.000 0.304 216 G C -1.783 173.184 174.900 0.110 0.000 1.263 216 G CA -0.621 44.541 45.100 0.104 0.000 0.964 216 G HN 0.797 nan 8.290 nan 0.000 0.479 217 F N -1.232 118.679 119.950 -0.065 0.000 2.668 217 F HA 0.821 5.348 4.527 0.000 0.000 0.309 217 F C -0.548 175.234 175.800 -0.030 0.000 1.117 217 F CA -1.325 56.635 58.000 -0.066 0.000 0.951 217 F CB 1.477 40.420 39.000 -0.096 0.000 1.323 217 F HN 0.416 nan 8.300 nan 0.000 0.451 218 S N 1.132 116.936 115.700 0.174 0.000 2.489 218 S HA 0.445 4.915 4.470 -0.000 0.000 0.291 218 S C -1.817 173.016 174.600 0.388 0.000 1.151 218 S CA -0.443 57.841 58.200 0.140 0.000 1.082 218 S CB 0.897 64.147 63.200 0.083 0.000 1.019 218 S HN 0.634 nan 8.310 nan 0.000 0.492 219 Y N 2.612 123.062 120.300 0.250 0.000 2.331 219 Y HA 0.380 4.930 4.550 -0.000 0.000 0.338 219 Y C -0.526 175.516 175.900 0.237 0.000 0.976 219 Y CA -1.080 57.226 58.100 0.343 0.000 1.137 219 Y CB 0.899 39.689 38.460 0.550 0.000 1.172 219 Y HN 0.587 nan 8.280 nan 0.000 0.478 220 D N 4.391 124.648 120.400 -0.239 0.000 2.412 220 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 220 D C -0.823 175.307 176.300 -0.283 0.000 1.093 220 D CA -0.163 53.746 54.000 -0.152 0.000 0.850 220 D CB 0.853 41.599 40.800 -0.090 0.000 1.046 220 D HN 0.466 nan 8.370 nan 0.000 0.507 221 T N 3.755 118.316 114.554 0.013 0.000 2.832 221 T HA 0.171 4.521 4.350 -0.000 0.000 0.296 221 T C 0.562 175.342 174.700 0.133 0.000 0.968 221 T CA -0.471 61.720 62.100 0.151 0.000 1.107 221 T CB 0.723 69.902 68.868 0.518 0.000 0.916 221 T HN 0.280 nan 8.240 nan 0.000 0.517 222 R N 1.945 122.484 120.500 0.065 0.000 2.404 222 R HA 0.143 4.483 4.340 -0.000 0.000 0.315 222 R C -0.090 176.320 176.300 0.184 0.000 1.032 222 R CA -0.162 55.977 56.100 0.066 0.000 0.992 222 R CB -0.552 29.724 30.300 -0.040 0.000 0.959 222 R HN 0.965 nan 8.270 nan 0.000 0.428 223 C N 5.045 124.488 119.300 0.239 0.000 3.268 223 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 223 C C 1.403 176.613 174.990 0.367 0.000 1.259 223 C CA 0.027 59.242 59.018 0.327 0.000 2.353 223 C CB -2.867 25.133 27.740 0.434 0.000 1.482 223 C HN 1.001 nan 8.230 nan 0.000 0.513 224 F N 1.651 121.724 119.950 0.204 0.000 2.091 224 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 224 F C 1.987 177.895 175.800 0.179 0.000 1.103 224 F CA 2.339 60.457 58.000 0.196 0.000 1.228 224 F CB 0.011 39.118 39.000 0.179 0.000 0.984 224 F HN 0.487 nan 8.300 nan 0.000 0.477 225 D N -0.254 120.399 120.400 0.421 0.000 2.133 225 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 225 D C 2.419 178.782 176.300 0.104 0.000 0.997 225 D CA 1.796 55.965 54.000 0.280 0.000 0.840 225 D CB -0.500 40.459 40.800 0.265 0.000 0.947 225 D HN 0.251 nan 8.370 nan 0.000 0.452 226 S N -0.739 115.020 115.700 0.097 0.000 2.453 226 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 226 S C 2.013 176.560 174.600 -0.088 0.000 1.005 226 S CA 1.299 59.437 58.200 -0.103 0.000 0.949 226 S CB -0.165 62.888 63.200 -0.245 0.000 0.774 226 S HN 0.529 nan 8.310 nan 0.000 0.510 227 T N -0.278 114.307 114.554 0.051 0.000 3.067 227 T HA 0.116 4.466 4.350 -0.000 0.000 0.261 227 T C 0.631 175.255 174.700 -0.126 0.000 1.110 227 T CA 0.046 62.165 62.100 0.031 0.000 1.113 227 T CB -0.455 68.392 68.868 -0.035 0.000 0.917 227 T HN 0.041 nan 8.240 nan 0.000 0.499 228 V N 4.150 123.957 119.914 -0.178 0.000 2.450 228 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 228 V C 1.144 177.186 176.094 -0.086 0.000 1.019 228 V CA -0.182 62.037 62.300 -0.135 0.000 1.062 228 V CB -0.136 31.656 31.823 -0.052 0.000 0.979 228 V HN 0.715 nan 8.190 nan 0.000 0.477 229 T N 0.944 115.458 114.554 -0.068 0.000 2.902 229 T HA 0.349 4.699 4.350 -0.000 0.000 0.280 229 T C 0.978 175.655 174.700 -0.038 0.000 0.992 229 T CA -0.627 61.438 62.100 -0.058 0.000 1.015 229 T CB 1.425 70.262 68.868 -0.052 0.000 1.044 229 T HN 0.632 nan 8.240 nan 0.000 0.520 230 E N 0.152 120.330 120.200 -0.037 0.000 2.070 230 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 230 E C 2.304 178.900 176.600 -0.007 0.000 1.004 230 E CA 1.323 57.714 56.400 -0.016 0.000 0.805 230 E CB -0.125 29.565 29.700 -0.017 0.000 0.744 230 E HN 0.656 nan 8.360 nan 0.000 0.451 231 R N 0.812 121.302 120.500 -0.017 0.000 2.091 231 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 231 R C 1.574 177.872 176.300 -0.004 0.000 1.136 231 R CA 1.899 57.990 56.100 -0.014 0.000 0.959 231 R CB -0.060 30.221 30.300 -0.032 0.000 0.856 231 R HN 0.113 nan 8.270 nan 0.000 0.437 232 D N 0.355 120.749 120.400 -0.009 0.000 2.133 232 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 232 D C 1.848 178.159 176.300 0.017 0.000 0.997 232 D CA 1.458 55.465 54.000 0.013 0.000 0.840 232 D CB -0.123 40.679 40.800 0.003 0.000 0.947 232 D HN 0.343 nan 8.370 nan 0.000 0.452 233 I N 0.272 120.854 120.570 0.019 0.000 2.439 233 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 233 I C 2.382 178.513 176.117 0.023 0.000 1.139 233 I CA 0.723 62.044 61.300 0.035 0.000 1.438 233 I CB 0.006 38.048 38.000 0.069 0.000 1.085 233 I HN -0.105 nan 8.210 nan 0.000 0.427 234 R N -0.181 120.330 120.500 0.019 0.000 2.115 234 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 234 R C 2.249 178.542 176.300 -0.013 0.000 1.100 234 R CA 1.507 57.618 56.100 0.018 0.000 0.980 234 R CB -0.488 29.828 30.300 0.027 0.000 0.875 234 R HN 0.279 nan 8.270 nan 0.000 0.445 235 T N 1.099 115.643 114.554 -0.016 0.000 2.746 235 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 235 T C 1.461 176.088 174.700 -0.122 0.000 1.039 235 T CA 1.362 63.445 62.100 -0.028 0.000 1.142 235 T CB -0.076 68.813 68.868 0.035 0.000 0.866 235 T HN 0.353 nan 8.240 nan 0.000 0.444 236 E N 0.772 120.867 120.200 -0.174 0.000 2.085 236 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 236 E C 2.305 178.407 176.600 -0.829 0.000 0.994 236 E CA 1.082 57.220 56.400 -0.436 0.000 0.801 236 E CB -0.104 29.398 29.700 -0.330 0.000 0.743 236 E HN 0.526 nan 8.360 nan 0.000 0.453 237 E N 0.488 120.428 120.200 -0.433 0.000 2.085 237 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 237 E C 2.154 178.683 176.600 -0.118 0.000 0.994 237 E CA 1.609 57.886 56.400 -0.205 0.000 0.801 237 E CB -0.004 29.737 29.700 0.069 0.000 0.743 237 E HN 0.253 nan 8.360 nan 0.000 0.453 238 S N 0.160 115.805 115.700 -0.092 0.000 2.399 238 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 238 S C 2.025 176.592 174.600 -0.055 0.000 1.022 238 S CA 0.949 59.126 58.200 -0.039 0.000 0.983 238 S CB -0.482 62.705 63.200 -0.022 0.000 0.803 238 S HN 0.282 nan 8.310 nan 0.000 0.480 239 I N 0.212 120.699 120.570 -0.140 0.000 2.233 239 I HA -0.113 4.057 4.170 -0.000 0.000 0.243 239 I C 2.294 178.417 176.117 0.010 0.000 1.093 239 I CA 1.181 62.423 61.300 -0.096 0.000 1.380 239 I CB -0.526 37.396 38.000 -0.130 0.000 1.067 239 I HN 0.201 nan 8.210 nan 0.000 0.413 240 Y N 1.016 121.333 120.300 0.028 0.000 2.165 240 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 240 Y C 2.600 178.519 175.900 0.032 0.000 1.155 240 Y CA 0.763 58.881 58.100 0.030 0.000 1.164 240 Y CB -1.116 37.377 38.460 0.056 0.000 0.978 240 Y HN 0.265 nan 8.280 nan 0.000 0.513 241 Q N -0.597 119.304 119.800 0.169 0.000 2.435 241 Q HA 0.084 4.424 4.340 -0.000 0.000 0.207 241 Q C 2.352 178.392 176.000 0.065 0.000 0.956 241 Q CA 0.845 56.714 55.803 0.109 0.000 0.917 241 Q CB -0.317 28.471 28.738 0.083 0.000 0.997 241 Q HN 0.521 nan 8.270 nan 0.000 0.497 242 A N 0.264 123.116 122.820 0.054 0.000 2.014 242 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 242 A C 1.283 178.888 177.584 0.035 0.000 1.163 242 A CA 0.173 52.230 52.037 0.032 0.000 0.652 242 A CB -0.338 18.672 19.000 0.018 0.000 0.808 242 A HN 0.356 nan 8.150 nan 0.000 0.449 243 C N 0.505 119.835 119.300 0.051 0.000 2.745 243 C HA 0.321 4.781 4.460 -0.000 0.000 0.387 243 C C 1.125 176.136 174.990 0.035 0.000 1.312 243 C CA -0.470 58.572 59.018 0.040 0.000 2.204 243 C CB 0.063 27.832 27.740 0.049 0.000 2.686 243 C HN 0.485 nan 8.230 nan 0.000 0.705 244 S N 1.950 117.665 115.700 0.025 0.000 2.448 244 S HA 0.547 5.017 4.470 -0.000 0.000 0.279 244 S C -0.396 174.222 174.600 0.029 0.000 1.195 244 S CA -0.176 58.038 58.200 0.024 0.000 1.051 244 S CB -0.152 63.058 63.200 0.017 0.000 0.948 244 S HN 0.440 nan 8.310 nan 0.000 0.493 245 L N 4.216 125.461 121.223 0.036 0.000 2.393 245 L HA 0.580 4.920 4.340 -0.000 0.000 0.260 245 L C -2.311 174.585 176.870 0.044 0.000 1.002 245 L CA -2.510 52.356 54.840 0.044 0.000 0.818 245 L CB 1.754 43.849 42.059 0.059 0.000 1.369 245 L HN 0.350 nan 8.230 nan 0.000 0.412 246 P HA 0.106 nan 4.420 nan 0.000 0.271 246 P C 0.046 177.381 177.300 0.058 0.000 1.218 246 P CA -0.168 62.964 63.100 0.052 0.000 0.780 246 P CB 1.000 32.737 31.700 0.062 0.000 0.901 247 E N 0.796 121.024 120.200 0.046 0.000 2.130 247 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 247 E C 1.738 178.367 176.600 0.048 0.000 0.998 247 E CA 1.427 57.849 56.400 0.037 0.000 0.806 247 E CB 0.012 29.726 29.700 0.023 0.000 0.738 247 E HN 0.639 nan 8.360 nan 0.000 0.459 248 E N 0.315 120.561 120.200 0.077 0.000 2.085 248 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 248 E C 2.025 178.703 176.600 0.129 0.000 0.994 248 E CA 1.052 57.518 56.400 0.111 0.000 0.801 248 E CB -0.065 29.753 29.700 0.196 0.000 0.743 248 E HN 0.246 nan 8.360 nan 0.000 0.453 249 A N 1.312 124.230 122.820 0.164 0.000 1.902 249 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 249 A C 2.135 179.780 177.584 0.101 0.000 1.181 249 A CA 1.506 53.647 52.037 0.173 0.000 0.623 249 A CB -0.491 18.600 19.000 0.151 0.000 0.818 249 A HN 0.196 nan 8.150 nan 0.000 0.443 250 R N -0.832 119.713 120.500 0.076 0.000 2.091 250 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 250 R C 2.283 178.615 176.300 0.052 0.000 1.136 250 R CA 1.912 58.052 56.100 0.065 0.000 0.959 250 R CB -0.958 29.366 30.300 0.040 0.000 0.856 250 R HN 0.561 nan 8.270 nan 0.000 0.437 251 T N 1.045 115.604 114.554 0.008 0.000 2.674 251 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 251 T C 2.029 176.689 174.700 -0.067 0.000 1.039 251 T CA 1.483 63.568 62.100 -0.026 0.000 1.150 251 T CB -0.350 68.474 68.868 -0.074 0.000 0.864 251 T HN 0.396 nan 8.240 nan 0.000 0.427 252 A N 1.149 123.862 122.820 -0.180 0.000 1.883 252 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 252 A C 2.329 179.845 177.584 -0.112 0.000 1.186 252 A CA 1.452 53.303 52.037 -0.311 0.000 0.624 252 A CB -0.945 17.719 19.000 -0.560 0.000 0.822 252 A HN 0.517 nan 8.150 nan 0.000 0.444 253 I N -1.407 119.174 120.570 0.019 0.000 2.208 253 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 253 I C 2.513 178.699 176.117 0.116 0.000 1.097 253 I CA 1.915 63.281 61.300 0.109 0.000 1.363 253 I CB -0.394 37.711 38.000 0.175 0.000 1.051 253 I HN 0.597 nan 8.210 nan 0.000 0.413 254 H N 0.412 119.491 119.070 0.014 0.000 2.326 254 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 254 H C 2.386 177.688 175.328 -0.043 0.000 1.081 254 H CA 2.039 58.090 56.048 0.005 0.000 1.334 254 H CB 0.001 29.758 29.762 -0.007 0.000 1.385 254 H HN 0.112 nan 8.280 nan 0.000 0.504 255 S N 0.047 115.661 115.700 -0.143 0.000 2.356 255 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 255 S C 2.305 176.750 174.600 -0.260 0.000 1.032 255 S CA 1.288 59.358 58.200 -0.216 0.000 1.005 255 S CB -0.355 62.742 63.200 -0.170 0.000 0.867 255 S HN 0.348 nan 8.310 nan 0.000 0.449 256 L N 0.984 122.047 121.223 -0.267 0.000 2.042 256 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 256 L C 2.715 179.226 176.870 -0.597 0.000 1.076 256 L CA 1.297 55.867 54.840 -0.451 0.000 0.749 256 L CB -1.169 40.616 42.059 -0.457 0.000 0.893 256 L HN 0.316 nan 8.230 nan 0.000 0.432 257 T N -1.019 113.357 114.554 -0.297 0.000 2.652 257 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 257 T C 1.791 176.406 174.700 -0.141 0.000 1.039 257 T CA 1.300 63.355 62.100 -0.074 0.000 1.153 257 T CB -0.133 68.779 68.868 0.073 0.000 0.863 257 T HN 0.272 nan 8.240 nan 0.000 0.428 258 E N 0.826 120.874 120.200 -0.253 0.000 2.208 258 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 258 E C 2.307 178.821 176.600 -0.144 0.000 0.988 258 E CA 0.802 57.076 56.400 -0.210 0.000 0.828 258 E CB -0.077 29.431 29.700 -0.320 0.000 0.763 258 E HN 0.459 nan 8.360 nan 0.000 0.478 259 R N -0.717 119.677 120.500 -0.176 0.000 2.237 259 R HA 0.145 4.485 4.340 -0.000 0.000 0.195 259 R C 1.784 178.008 176.300 -0.126 0.000 0.956 259 R CA 0.262 56.284 56.100 -0.130 0.000 1.029 259 R CB 0.359 30.579 30.300 -0.133 0.000 0.972 259 R HN 0.032 nan 8.270 nan 0.000 0.493 260 L N -2.231 118.878 121.223 -0.190 0.000 2.678 260 L HA 0.188 4.528 4.340 -0.000 0.000 0.187 260 L C 1.215 178.068 176.870 -0.028 0.000 1.073 260 L CA 0.585 55.331 54.840 -0.157 0.000 0.883 260 L CB -0.173 41.736 42.059 -0.249 0.000 1.501 260 L HN -0.138 nan 8.230 nan 0.000 0.488 261 Y N 0.735 121.038 120.300 0.006 0.000 2.181 261 Y HA -0.094 4.456 4.550 0.000 0.000 0.288 261 Y C 2.659 178.558 175.900 -0.001 0.000 1.146 261 Y CA 1.643 59.759 58.100 0.025 0.000 1.164 261 Y CB -1.486 37.015 38.460 0.069 0.000 0.982 261 Y HN 0.212 nan 8.280 nan 0.000 0.515 262 V N -2.572 117.411 119.914 0.114 0.000 2.809 262 V HA 0.387 4.507 4.120 -0.000 0.000 0.256 262 V C 1.029 177.128 176.094 0.009 0.000 1.080 262 V CA 1.026 63.356 62.300 0.050 0.000 1.102 262 V CB -0.953 30.883 31.823 0.023 0.000 0.705 262 V HN 0.449 nan 8.190 nan 0.000 0.475 263 G N -2.266 106.522 108.800 -0.020 0.000 2.359 263 G HA2 0.581 4.541 3.960 -0.000 0.000 0.293 263 G HA3 0.581 4.541 3.960 -0.000 0.000 0.293 263 G C -0.461 174.306 174.900 -0.222 0.000 1.300 263 G CA -0.100 44.937 45.100 -0.106 0.000 0.888 263 G HN 1.721 nan 8.290 nan 0.000 0.541 264 G N -0.922 107.497 108.800 -0.636 0.000 2.339 264 G HA2 0.665 4.625 3.960 -0.000 0.000 0.302 264 G HA3 0.665 4.625 3.960 -0.000 0.000 0.302 264 G C -3.483 170.736 174.900 -1.134 0.000 1.425 264 G CA 0.153 44.783 45.100 -0.784 0.000 0.899 264 G HN 0.842 nan 8.290 nan 0.000 0.619 265 P HA 0.410 nan 4.420 nan 0.000 0.271 265 P C -0.404 176.646 177.300 -0.417 0.000 1.218 265 P CA 0.012 62.812 63.100 -0.500 0.000 0.780 265 P CB 0.770 32.343 31.700 -0.212 0.000 0.901 266 M N 2.330 121.638 119.600 -0.487 0.000 2.383 266 M HA 0.471 4.951 4.480 -0.000 0.000 0.325 266 M C -0.592 175.416 176.300 -0.488 0.000 1.092 266 M CA -0.459 54.646 55.300 -0.325 0.000 0.961 266 M CB 1.432 33.903 32.600 -0.214 0.000 1.672 266 M HN 0.170 nan 8.290 nan 0.000 0.438 267 F N 1.138 121.049 119.950 -0.065 0.000 2.538 267 F HA 0.458 4.985 4.527 0.000 0.000 0.325 267 F C 0.445 176.225 175.800 -0.034 0.000 1.066 267 F CA -0.956 57.022 58.000 -0.038 0.000 0.946 267 F CB 1.219 40.188 39.000 -0.052 0.000 1.199 267 F HN 0.596 nan 8.300 nan 0.000 0.473 268 N N -0.787 118.014 118.700 0.168 0.000 2.364 268 N HA 0.124 4.864 4.740 -0.000 0.000 0.264 268 N C 0.768 176.330 175.510 0.085 0.000 1.263 268 N CA -0.115 52.997 53.050 0.103 0.000 0.959 268 N CB 0.171 38.708 38.487 0.084 0.000 1.204 268 N HN 0.546 nan 8.380 nan 0.000 0.550 269 S N -1.343 114.393 115.700 0.060 0.000 2.469 269 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 269 S C 0.973 175.589 174.600 0.027 0.000 0.998 269 S CA 0.637 58.862 58.200 0.042 0.000 0.957 269 S CB -0.449 62.780 63.200 0.049 0.000 0.764 269 S HN 0.619 nan 8.310 nan 0.000 0.514 270 K N 0.558 120.981 120.400 0.039 0.000 2.393 270 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 270 K C 1.258 177.874 176.600 0.028 0.000 1.026 270 K CA 0.397 56.701 56.287 0.028 0.000 1.064 270 K CB -0.045 32.476 32.500 0.035 0.000 0.833 270 K HN 0.534 nan 8.250 nan 0.000 0.521 271 G N 1.989 110.819 108.800 0.050 0.000 2.141 271 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 271 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 271 G C -0.290 174.715 174.900 0.175 0.000 0.982 271 G CA -0.140 44.987 45.100 0.044 0.000 0.662 271 G HN 0.341 nan 8.290 nan 0.000 0.527 272 Q N 0.921 120.831 119.800 0.184 0.000 2.288 272 Q HA 0.474 4.814 4.340 -0.000 0.000 0.254 272 Q C 0.276 176.418 176.000 0.237 0.000 0.932 272 Q CA 0.038 55.956 55.803 0.191 0.000 0.902 272 Q CB 0.803 29.604 28.738 0.105 0.000 1.203 272 Q HN 0.230 nan 8.270 nan 0.000 0.415 273 T N 1.149 115.801 114.554 0.163 0.000 2.829 273 T HA -0.048 4.302 4.350 -0.000 0.000 0.293 273 T C 0.456 175.100 174.700 -0.092 0.000 0.970 273 T CA -0.212 61.791 62.100 -0.162 0.000 1.168 273 T CB 0.390 69.166 68.868 -0.154 0.000 0.911 273 T HN 0.762 nan 8.240 nan 0.000 0.535 274 C N 3.108 122.319 119.300 -0.149 0.000 2.563 274 C HA 0.617 5.077 4.460 -0.000 0.000 0.346 274 C C 1.373 176.407 174.990 0.072 0.000 1.334 274 C CA 0.843 59.879 59.018 0.029 0.000 1.938 274 C CB -0.793 26.994 27.740 0.077 0.000 2.445 274 C HN 1.114 nan 8.230 nan 0.000 0.541 275 G N -1.714 107.005 108.800 -0.133 0.000 2.325 275 G HA2 0.400 4.360 3.960 -0.000 0.000 0.295 275 G HA3 0.400 4.360 3.960 -0.000 0.000 0.295 275 G C -2.333 172.430 174.900 -0.230 0.000 1.274 275 G CA -0.267 44.704 45.100 -0.214 0.000 0.857 275 G HN 0.149 nan 8.290 nan 0.000 0.499 276 Y N 0.397 120.479 120.300 -0.363 0.000 2.457 276 Y HA 0.745 5.295 4.550 -0.000 0.000 0.343 276 Y C 0.069 175.822 175.900 -0.245 0.000 0.994 276 Y CA -0.918 57.025 58.100 -0.261 0.000 1.031 276 Y CB 2.043 40.380 38.460 -0.205 0.000 1.246 276 Y HN 0.661 nan 8.280 nan 0.000 0.449 277 R N 4.757 125.029 120.500 -0.379 0.000 2.460 277 R HA 0.542 4.882 4.340 -0.000 0.000 0.303 277 R C -0.738 175.427 176.300 -0.225 0.000 0.968 277 R CA -0.595 55.321 56.100 -0.305 0.000 0.889 277 R CB 0.952 31.119 30.300 -0.222 0.000 1.123 277 R HN 0.913 nan 8.270 nan 0.000 0.455 278 R N 3.181 123.510 120.500 -0.285 0.000 2.690 278 R HA 0.219 4.559 4.340 -0.000 0.000 0.419 278 R C -0.682 175.486 176.300 -0.220 0.000 1.090 278 R CA -0.291 55.715 56.100 -0.158 0.000 1.064 278 R CB 0.420 30.661 30.300 -0.098 0.000 1.391 278 R HN 0.793 nan 8.270 nan 0.000 0.586 279 C N -2.102 117.027 119.300 -0.285 0.000 3.311 279 C HA 0.603 5.063 4.460 -0.000 0.000 0.366 279 C C -0.365 174.558 174.990 -0.112 0.000 1.694 279 C CA -1.558 57.323 59.018 -0.228 0.000 1.244 279 C CB 1.155 28.676 27.740 -0.364 0.000 2.038 279 C HN 0.384 nan 8.230 nan 0.000 0.436 280 R N 1.336 121.816 120.500 -0.033 0.000 2.538 280 R HA 0.450 4.790 4.340 -0.000 0.000 0.282 280 R C 0.151 176.498 176.300 0.079 0.000 1.009 280 R CA 1.018 57.152 56.100 0.056 0.000 1.063 280 R CB -0.174 30.200 30.300 0.123 0.000 0.945 280 R HN 1.283 nan 8.270 nan 0.000 0.414 281 A N 3.884 126.768 122.820 0.106 0.000 2.409 281 A HA 0.193 4.513 4.320 -0.000 0.000 0.267 281 A C 1.022 178.698 177.584 0.154 0.000 1.127 281 A CA 0.136 52.257 52.037 0.140 0.000 0.795 281 A CB 0.258 19.354 19.000 0.160 0.000 1.061 281 A HN 1.019 nan 8.150 nan 0.000 0.502 282 S N 2.223 118.029 115.700 0.177 0.000 2.447 282 S HA 0.035 4.505 4.470 -0.000 0.000 0.233 282 S C 1.104 175.795 174.600 0.153 0.000 1.006 282 S CA 0.839 59.141 58.200 0.170 0.000 0.957 282 S CB 0.069 63.379 63.200 0.183 0.000 0.773 282 S HN 1.274 nan 8.310 nan 0.000 0.507 283 G N 1.798 110.706 108.800 0.179 0.000 4.547 283 G HA2 0.519 4.479 3.960 -0.000 0.000 0.301 283 G HA3 0.519 4.479 3.960 -0.000 0.000 0.301 283 G C -0.130 174.879 174.900 0.182 0.000 1.240 283 G CA -0.134 45.072 45.100 0.177 0.000 0.970 283 G HN 0.499 nan 8.290 nan 0.000 0.574 284 V N -2.443 117.562 119.914 0.151 0.000 3.103 284 V HA 0.606 4.726 4.120 -0.000 0.000 0.318 284 V C 1.434 177.580 176.094 0.087 0.000 1.114 284 V CA -0.920 61.481 62.300 0.168 0.000 1.020 284 V CB 1.686 33.672 31.823 0.272 0.000 1.085 284 V HN 0.062 nan 8.190 nan 0.000 0.446 285 L N 2.035 123.320 121.223 0.104 0.000 2.131 285 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 285 L C 2.277 179.126 176.870 -0.035 0.000 1.092 285 L CA 2.968 57.839 54.840 0.051 0.000 0.759 285 L CB -0.654 41.465 42.059 0.100 0.000 0.903 285 L HN 1.092 nan 8.230 nan 0.000 0.435 286 T N -6.134 108.327 114.554 -0.155 0.000 3.107 286 T HA 0.016 4.366 4.350 -0.000 0.000 0.249 286 T C 1.564 176.197 174.700 -0.111 0.000 1.096 286 T CA 0.658 62.627 62.100 -0.218 0.000 1.012 286 T CB -0.621 67.941 68.868 -0.509 0.000 0.977 286 T HN 0.238 nan 8.240 nan 0.000 0.527 287 T N 1.844 116.366 114.554 -0.053 0.000 2.635 287 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 287 T C 2.193 176.925 174.700 0.054 0.000 1.040 287 T CA 1.814 63.929 62.100 0.026 0.000 1.156 287 T CB -0.601 68.302 68.868 0.058 0.000 0.863 287 T HN 0.481 nan 8.240 nan 0.000 0.430 288 S N 0.330 116.044 115.700 0.024 0.000 2.345 288 S HA 0.029 4.499 4.470 -0.000 0.000 0.219 288 S C 2.097 176.765 174.600 0.114 0.000 1.031 288 S CA 1.339 59.564 58.200 0.041 0.000 0.984 288 S CB -0.371 62.761 63.200 -0.115 0.000 0.874 288 S HN 0.512 nan 8.310 nan 0.000 0.451 289 M N 0.908 120.550 119.600 0.070 0.000 2.086 289 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 289 M C 2.013 178.389 176.300 0.128 0.000 1.067 289 M CA 1.968 57.322 55.300 0.091 0.000 1.116 289 M CB -0.877 31.729 32.600 0.011 0.000 1.348 289 M HN 0.383 nan 8.290 nan 0.000 0.407 290 G N 0.659 109.535 108.800 0.126 0.000 2.459 290 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 290 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 290 G C 1.183 176.199 174.900 0.194 0.000 1.183 290 G CA 1.289 46.482 45.100 0.154 0.000 0.776 290 G HN 0.483 nan 8.290 nan 0.000 0.552 291 N N 0.422 119.241 118.700 0.198 0.000 2.061 291 N HA -0.104 4.636 4.740 -0.000 0.000 0.193 291 N C 2.407 177.981 175.510 0.107 0.000 1.030 291 N CA 1.763 54.927 53.050 0.189 0.000 0.856 291 N CB -0.944 37.544 38.487 0.002 0.000 1.023 291 N HN 0.277 nan 8.380 nan 0.000 0.424 292 T N 1.583 116.221 114.554 0.140 0.000 2.684 292 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 292 T C 2.096 176.908 174.700 0.188 0.000 1.036 292 T CA 0.921 63.123 62.100 0.171 0.000 1.148 292 T CB -0.256 68.777 68.868 0.275 0.000 0.863 292 T HN 0.192 nan 8.240 nan 0.000 0.436 293 I N 0.826 121.496 120.570 0.166 0.000 2.202 293 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 293 I C 2.744 178.997 176.117 0.227 0.000 1.091 293 I CA 1.156 62.555 61.300 0.165 0.000 1.368 293 I CB -0.585 37.476 38.000 0.101 0.000 1.058 293 I HN 0.238 nan 8.210 nan 0.000 0.410 294 T N -0.294 114.407 114.554 0.245 0.000 2.777 294 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 294 T C 2.054 176.975 174.700 0.368 0.000 1.040 294 T CA 1.363 63.632 62.100 0.281 0.000 1.141 294 T CB -0.439 68.613 68.868 0.306 0.000 0.868 294 T HN 0.501 nan 8.240 nan 0.000 0.444 295 C N 0.723 120.302 119.300 0.465 0.000 2.429 295 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 295 C C 2.373 177.555 174.990 0.319 0.000 1.262 295 C CA 0.583 59.870 59.018 0.448 0.000 1.733 295 C CB -1.407 26.471 27.740 0.231 0.000 2.010 295 C HN 0.651 nan 8.230 nan 0.000 0.483 296 Y N 1.171 121.567 120.300 0.159 0.000 2.145 296 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 296 Y C 2.283 178.233 175.900 0.084 0.000 1.145 296 Y CA 2.287 60.456 58.100 0.114 0.000 1.148 296 Y CB -0.574 37.934 38.460 0.080 0.000 0.981 296 Y HN 0.190 nan 8.280 nan 0.000 0.507 297 V N 0.856 120.781 119.914 0.019 0.000 2.295 297 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 297 V C 2.295 178.301 176.094 -0.147 0.000 1.049 297 V CA 2.437 64.641 62.300 -0.160 0.000 1.024 297 V CB -0.610 31.133 31.823 -0.133 0.000 0.648 297 V HN 0.346 nan 8.190 nan 0.000 0.447 298 K N 0.061 120.481 120.400 0.034 0.000 2.057 298 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 298 K C 2.311 178.971 176.600 0.100 0.000 1.049 298 K CA 1.461 57.811 56.287 0.105 0.000 0.931 298 K CB -0.418 32.213 32.500 0.217 0.000 0.714 298 K HN 0.473 nan 8.250 nan 0.000 0.440 299 A N 1.279 124.148 122.820 0.082 0.000 1.898 299 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 299 A C 2.078 179.738 177.584 0.127 0.000 1.181 299 A CA 1.116 53.244 52.037 0.152 0.000 0.620 299 A CB -0.477 18.680 19.000 0.262 0.000 0.819 299 A HN 0.209 nan 8.150 nan 0.000 0.442 300 L N -0.277 120.882 121.223 -0.106 0.000 2.056 300 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 300 L C 2.684 179.525 176.870 -0.048 0.000 1.078 300 L CA 2.041 56.790 54.840 -0.153 0.000 0.749 300 L CB -0.874 40.911 42.059 -0.457 0.000 0.901 300 L HN 0.344 nan 8.230 nan 0.000 0.433 301 A N -0.488 122.304 122.820 -0.046 0.000 1.902 301 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 301 A C 2.437 180.113 177.584 0.154 0.000 1.181 301 A CA 1.852 53.926 52.037 0.062 0.000 0.623 301 A CB -1.152 17.861 19.000 0.023 0.000 0.818 301 A HN 0.544 nan 8.150 nan 0.000 0.443 302 A N -1.155 121.767 122.820 0.171 0.000 1.969 302 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 302 A C 2.265 179.899 177.584 0.084 0.000 1.169 302 A CA 1.578 53.586 52.037 -0.047 0.000 0.635 302 A CB -1.220 17.413 19.000 -0.611 0.000 0.810 302 A HN 0.601 nan 8.150 nan 0.000 0.445 303 C N -0.555 118.894 119.300 0.248 0.000 2.429 303 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 303 C C 2.727 177.744 174.990 0.046 0.000 1.262 303 C CA 1.385 60.548 59.018 0.240 0.000 1.733 303 C CB -1.018 26.829 27.740 0.179 0.000 2.010 303 C HN 0.629 nan 8.230 nan 0.000 0.483 304 K N 1.132 121.494 120.400 -0.063 0.000 2.025 304 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 304 K C 2.296 178.615 176.600 -0.468 0.000 1.049 304 K CA 1.532 57.676 56.287 -0.238 0.000 0.933 304 K CB -0.372 31.970 32.500 -0.262 0.000 0.714 304 K HN 0.458 nan 8.250 nan 0.000 0.438 305 A N 1.478 124.000 122.820 -0.495 0.000 1.908 305 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 305 A C 2.290 179.802 177.584 -0.120 0.000 1.181 305 A CA 2.080 53.923 52.037 -0.324 0.000 0.627 305 A CB -0.645 18.287 19.000 -0.113 0.000 0.818 305 A HN 0.360 nan 8.150 nan 0.000 0.445 306 A N -2.148 120.644 122.820 -0.047 0.000 2.178 306 A HA 0.414 4.734 4.320 -0.000 0.000 0.211 306 A C 1.810 179.402 177.584 0.014 0.000 1.157 306 A CA 1.220 53.268 52.037 0.019 0.000 0.780 306 A CB -0.819 18.255 19.000 0.123 0.000 0.828 306 A HN 1.977 nan 8.150 nan 0.000 0.476 307 G N -0.208 108.588 108.800 -0.007 0.000 2.198 307 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.257 307 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.257 307 G C -0.022 174.890 174.900 0.020 0.000 1.042 307 G CA 0.087 45.189 45.100 0.002 0.000 0.791 307 G HN 0.331 nan 8.290 nan 0.000 0.502 308 I N 0.615 121.211 120.570 0.042 0.000 2.598 308 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 308 I C 1.031 177.165 176.117 0.028 0.000 1.140 308 I CA -0.056 61.274 61.300 0.050 0.000 1.420 308 I CB 0.918 38.973 38.000 0.091 0.000 1.387 308 I HN -0.083 nan 8.210 nan 0.000 0.553 309 V N 6.389 126.313 119.914 0.015 0.000 2.383 309 V HA 0.446 4.566 4.120 -0.000 0.000 0.275 309 V C 0.756 176.846 176.094 -0.006 0.000 1.036 309 V CA -0.514 61.788 62.300 0.004 0.000 0.889 309 V CB 0.923 32.745 31.823 -0.002 0.000 0.985 309 V HN 1.002 nan 8.190 nan 0.000 0.459 310 A N 5.931 128.749 122.820 -0.003 0.000 2.648 310 A HA -0.074 4.246 4.320 -0.000 0.000 0.297 310 A C -1.918 175.658 177.584 -0.013 0.000 1.467 310 A CA -0.041 51.991 52.037 -0.009 0.000 0.731 310 A CB -1.596 17.389 19.000 -0.024 0.000 1.085 310 A HN 0.623 nan 8.150 nan 0.000 0.437 311 P HA 0.392 nan 4.420 nan 0.000 0.281 311 P C -0.202 177.106 177.300 0.014 0.000 1.252 311 P CA 0.428 63.526 63.100 -0.004 0.000 0.778 311 P CB 1.068 32.777 31.700 0.015 0.000 0.895 312 T N 4.838 119.385 114.554 -0.010 0.000 2.786 312 T HA 0.505 4.854 4.350 -0.000 0.000 0.283 312 T C 0.240 174.964 174.700 0.040 0.000 0.992 312 T CA -0.354 61.763 62.100 0.027 0.000 0.954 312 T CB 0.548 69.389 68.868 -0.046 0.000 0.934 312 T HN 0.294 nan 8.240 nan 0.000 0.440 313 M N 3.089 122.782 119.600 0.155 0.000 2.578 313 M HA 0.607 5.087 4.480 -0.000 0.000 0.321 313 M C -1.197 175.263 176.300 0.267 0.000 1.182 313 M CA -1.140 54.252 55.300 0.154 0.000 0.965 313 M CB 2.057 34.775 32.600 0.197 0.000 1.694 313 M HN 0.331 nan 8.290 nan 0.000 0.461 314 L N 2.952 124.284 121.223 0.182 0.000 2.372 314 L HA 0.597 4.937 4.340 -0.000 0.000 0.273 314 L C -1.477 175.423 176.870 0.050 0.000 0.989 314 L CA -0.466 54.478 54.840 0.173 0.000 0.841 314 L CB 1.597 43.779 42.059 0.206 0.000 1.225 314 L HN 0.452 nan 8.230 nan 0.000 0.414 315 V N 4.036 123.961 119.914 0.019 0.000 2.409 315 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 315 V C -0.620 175.382 176.094 -0.153 0.000 1.020 315 V CA -0.479 61.823 62.300 0.003 0.000 0.848 315 V CB 1.329 33.228 31.823 0.126 0.000 0.990 315 V HN 0.863 nan 8.190 nan 0.000 0.430 316 C N 4.250 123.398 119.300 -0.254 0.000 2.455 316 C HA 0.818 5.278 4.460 -0.000 0.000 0.321 316 C C 1.283 176.195 174.990 -0.129 0.000 1.102 316 C CA -0.193 58.486 59.018 -0.564 0.000 1.413 316 C CB -0.219 26.880 27.740 -1.068 0.000 1.952 316 C HN 1.381 nan 8.230 nan 0.000 0.428 317 G N 4.508 113.420 108.800 0.187 0.000 2.622 317 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.307 317 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.307 317 G C 0.746 175.531 174.900 -0.191 0.000 1.226 317 G CA 1.129 46.294 45.100 0.107 0.000 0.997 317 G HN 0.809 nan 8.290 nan 0.000 0.551 318 D N 1.096 121.284 120.400 -0.354 0.000 2.363 318 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 318 D C 0.631 176.827 176.300 -0.172 0.000 0.994 318 D CA 1.037 54.670 54.000 -0.612 0.000 0.890 318 D CB -0.207 40.225 40.800 -0.613 0.000 0.906 318 D HN 0.433 nan 8.370 nan 0.000 0.530 319 D N 0.500 120.847 120.400 -0.088 0.000 2.325 319 D HA 0.253 4.893 4.640 -0.000 0.000 0.251 319 D C -0.927 175.369 176.300 -0.007 0.000 1.196 319 D CA -0.485 53.499 54.000 -0.027 0.000 0.866 319 D CB 0.828 41.593 40.800 -0.057 0.000 1.101 319 D HN 0.071 nan 8.370 nan 0.000 0.476 320 L N 4.908 126.168 121.223 0.061 0.000 2.406 320 L HA 0.414 4.754 4.340 -0.000 0.000 0.272 320 L C -1.624 175.251 176.870 0.008 0.000 0.980 320 L CA -0.600 54.286 54.840 0.077 0.000 0.831 320 L CB 1.946 44.126 42.059 0.202 0.000 1.253 320 L HN 0.086 nan 8.230 nan 0.000 0.406 321 V N 5.548 125.428 119.914 -0.058 0.000 2.459 321 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 321 V C -0.609 175.324 176.094 -0.269 0.000 1.029 321 V CA -0.611 61.590 62.300 -0.164 0.000 0.874 321 V CB 1.998 33.765 31.823 -0.094 0.000 0.985 321 V HN 0.536 nan 8.190 nan 0.000 0.438 322 V N 6.471 126.025 119.914 -0.600 0.000 2.407 322 V HA 0.530 4.650 4.120 -0.000 0.000 0.291 322 V C -0.376 175.446 176.094 -0.453 0.000 1.018 322 V CA -0.372 61.560 62.300 -0.613 0.000 0.842 322 V CB 1.663 32.855 31.823 -1.053 0.000 0.996 322 V HN 0.679 nan 8.190 nan 0.000 0.426 323 I N 4.898 125.347 120.570 -0.203 0.000 2.378 323 I HA 0.692 4.862 4.170 -0.000 0.000 0.291 323 I C 0.269 176.321 176.117 -0.109 0.000 0.992 323 I CA 0.192 61.432 61.300 -0.100 0.000 1.154 323 I CB 1.965 39.962 38.000 -0.004 0.000 1.315 323 I HN 0.813 nan 8.210 nan 0.000 0.448 324 S N 4.114 119.748 115.700 -0.110 0.000 2.776 324 S HA 0.498 4.968 4.470 -0.000 0.000 0.292 324 S C -0.992 173.539 174.600 -0.115 0.000 1.187 324 S CA -1.075 57.073 58.200 -0.088 0.000 0.834 324 S CB 1.765 64.947 63.200 -0.031 0.000 1.199 324 S HN 0.407 nan 8.310 nan 0.000 0.514 325 E N 1.956 122.108 120.200 -0.080 0.000 2.257 325 E HA 0.238 4.588 4.350 -0.000 0.000 0.278 325 E C -0.103 176.479 176.600 -0.031 0.000 1.049 325 E CA 0.055 56.409 56.400 -0.075 0.000 0.876 325 E CB 1.382 31.049 29.700 -0.055 0.000 1.035 325 E HN 0.589 nan 8.360 nan 0.000 0.419 326 S N 2.991 118.683 115.700 -0.013 0.000 2.552 326 S HA -0.049 4.421 4.470 -0.000 0.000 0.289 326 S C 0.701 175.321 174.600 0.033 0.000 1.304 326 S CA -0.073 58.164 58.200 0.062 0.000 1.063 326 S CB 0.359 63.650 63.200 0.151 0.000 0.848 326 S HN 0.287 nan 8.310 nan 0.000 0.499 327 Q N 2.710 122.535 119.800 0.043 0.000 2.188 327 Q HA 0.302 4.642 4.340 -0.000 0.000 0.212 327 Q C 0.845 176.858 176.000 0.020 0.000 0.846 327 Q CA 0.517 56.333 55.803 0.022 0.000 0.989 327 Q CB 0.298 29.047 28.738 0.018 0.000 1.114 327 Q HN 1.033 nan 8.270 nan 0.000 0.488 328 G N -0.205 108.612 108.800 0.028 0.000 2.570 328 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 328 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 328 G C 0.466 175.385 174.900 0.032 0.000 1.257 328 G CA -0.270 44.835 45.100 0.007 0.000 0.846 328 G HN 0.007 nan 8.290 nan 0.000 0.627 329 T N 0.402 114.955 114.554 -0.003 0.000 2.674 329 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 329 T C 2.133 176.863 174.700 0.050 0.000 1.039 329 T CA 2.385 64.497 62.100 0.021 0.000 1.150 329 T CB -0.249 68.596 68.868 -0.039 0.000 0.864 329 T HN 0.631 nan 8.240 nan 0.000 0.427 330 E N 0.560 120.774 120.200 0.023 0.000 2.152 330 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 330 E C 2.304 178.916 176.600 0.020 0.000 0.983 330 E CA 0.757 57.169 56.400 0.019 0.000 0.818 330 E CB -0.019 29.686 29.700 0.008 0.000 0.758 330 E HN 0.489 nan 8.360 nan 0.000 0.467 331 E N 0.821 121.034 120.200 0.021 0.000 2.072 331 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 331 E C 1.520 178.133 176.600 0.021 0.000 0.985 331 E CA 1.103 57.514 56.400 0.018 0.000 0.801 331 E CB -0.010 29.700 29.700 0.016 0.000 0.750 331 E HN 0.160 nan 8.360 nan 0.000 0.452 332 D N 0.674 121.100 120.400 0.044 0.000 2.104 332 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 332 D C 1.779 178.078 176.300 -0.000 0.000 0.994 332 D CA 0.909 54.934 54.000 0.041 0.000 0.830 332 D CB -0.117 40.757 40.800 0.122 0.000 0.959 332 D HN 0.142 nan 8.370 nan 0.000 0.452 333 E N 0.577 120.788 120.200 0.018 0.000 2.038 333 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 333 E C 2.132 178.719 176.600 -0.022 0.000 1.000 333 E CA 0.528 56.924 56.400 -0.006 0.000 0.803 333 E CB -0.207 29.501 29.700 0.013 0.000 0.750 333 E HN 0.197 nan 8.360 nan 0.000 0.448 334 R N 1.230 121.725 120.500 -0.009 0.000 2.096 334 R HA -0.148 4.192 4.340 -0.000 0.000 0.240 334 R C 1.658 177.949 176.300 -0.015 0.000 1.139 334 R CA 1.484 57.578 56.100 -0.009 0.000 0.952 334 R CB -0.508 29.791 30.300 -0.002 0.000 0.854 334 R HN 0.129 nan 8.270 nan 0.000 0.436 335 N N 0.789 119.479 118.700 -0.017 0.000 2.223 335 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 335 N C 1.755 177.243 175.510 -0.038 0.000 1.016 335 N CA 0.927 53.968 53.050 -0.014 0.000 0.863 335 N CB -0.278 38.205 38.487 -0.007 0.000 0.983 335 N HN 0.146 nan 8.380 nan 0.000 0.429 336 L N 1.038 122.190 121.223 -0.118 0.000 2.156 336 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 336 L C 2.297 179.133 176.870 -0.057 0.000 1.095 336 L CA 1.062 55.767 54.840 -0.226 0.000 0.770 336 L CB -0.259 41.571 42.059 -0.382 0.000 0.914 336 L HN 0.056 nan 8.230 nan 0.000 0.439 337 R N -0.936 119.546 120.500 -0.031 0.000 2.073 337 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 337 R C 2.288 178.593 176.300 0.008 0.000 1.134 337 R CA 1.405 57.505 56.100 -0.001 0.000 0.952 337 R CB -0.584 29.710 30.300 -0.009 0.000 0.850 337 R HN 0.382 nan 8.270 nan 0.000 0.433 338 A N 0.727 123.550 122.820 0.005 0.000 1.902 338 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 338 A C 1.979 179.557 177.584 -0.011 0.000 1.181 338 A CA 1.258 53.291 52.037 -0.008 0.000 0.623 338 A CB -0.708 18.291 19.000 -0.001 0.000 0.818 338 A HN 0.399 nan 8.150 nan 0.000 0.443 339 F N 1.367 121.245 119.950 -0.119 0.000 2.095 339 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 339 F C 2.497 178.196 175.800 -0.168 0.000 1.104 339 F CA 2.435 60.351 58.000 -0.139 0.000 1.232 339 F CB -0.670 38.238 39.000 -0.154 0.000 0.987 339 F HN 0.214 nan 8.300 nan 0.000 0.475 340 T N 0.073 114.666 114.554 0.065 0.000 2.720 340 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 340 T C 1.714 176.362 174.700 -0.086 0.000 1.037 340 T CA 1.892 64.030 62.100 0.065 0.000 1.144 340 T CB -0.380 68.611 68.868 0.205 0.000 0.864 340 T HN 0.395 nan 8.240 nan 0.000 0.444 341 E N 0.853 120.993 120.200 -0.100 0.000 2.077 341 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 341 E C 2.534 178.979 176.600 -0.258 0.000 0.989 341 E CA 1.011 57.331 56.400 -0.133 0.000 0.800 341 E CB -0.224 29.417 29.700 -0.097 0.000 0.746 341 E HN 0.483 nan 8.360 nan 0.000 0.452 342 A N 1.170 123.770 122.820 -0.367 0.000 1.858 342 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 342 A C 2.157 179.215 177.584 -0.877 0.000 1.190 342 A CA 1.327 52.978 52.037 -0.644 0.000 0.617 342 A CB -0.363 18.297 19.000 -0.567 0.000 0.827 342 A HN 0.115 nan 8.150 nan 0.000 0.443 343 M N -0.111 119.082 119.600 -0.678 0.000 2.082 343 M HA -0.146 4.334 4.480 -0.000 0.000 0.258 343 M C 2.228 178.402 176.300 -0.210 0.000 1.069 343 M CA 2.226 57.263 55.300 -0.439 0.000 1.102 343 M CB -2.106 30.150 32.600 -0.574 0.000 1.336 343 M HN 0.487 nan 8.290 nan 0.000 0.404 344 T N 0.242 114.695 114.554 -0.169 0.000 2.635 344 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 344 T C 1.975 176.603 174.700 -0.121 0.000 1.040 344 T CA 1.495 63.542 62.100 -0.089 0.000 1.156 344 T CB -0.303 68.525 68.868 -0.066 0.000 0.863 344 T HN 0.377 nan 8.240 nan 0.000 0.430 345 R N 0.046 120.416 120.500 -0.218 0.000 2.103 345 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 345 R C 2.015 178.270 176.300 -0.076 0.000 1.142 345 R CA 1.500 57.487 56.100 -0.187 0.000 0.960 345 R CB -0.442 29.694 30.300 -0.273 0.000 0.858 345 R HN 0.450 nan 8.270 nan 0.000 0.439 346 Y N 0.270 120.504 120.300 -0.110 0.000 2.553 346 Y HA 0.038 4.588 4.550 0.000 0.000 0.303 346 Y C 0.897 176.728 175.900 -0.114 0.000 1.194 346 Y CA 0.065 58.082 58.100 -0.138 0.000 1.305 346 Y CB -0.514 37.880 38.460 -0.110 0.000 1.045 346 Y HN 0.032 nan 8.280 nan 0.000 0.514 347 S N -0.233 115.493 115.700 0.044 0.000 3.978 347 S HA -0.082 4.388 4.470 -0.000 0.000 0.402 347 S C -0.132 174.471 174.600 0.005 0.000 0.927 347 S CA 0.421 58.631 58.200 0.016 0.000 1.197 347 S CB -1.442 61.757 63.200 -0.002 0.000 0.855 347 S HN 0.814 nan 8.310 nan 0.000 0.524 348 A N 1.987 124.830 122.820 0.037 0.000 3.422 348 A HA 0.602 4.922 4.320 -0.000 0.000 0.271 348 A C -2.411 175.293 177.584 0.198 0.000 1.104 348 A CA -0.694 51.401 52.037 0.097 0.000 0.899 348 A CB 0.954 20.040 19.000 0.143 0.000 1.309 348 A HN 0.448 nan 8.150 nan 0.000 0.580 349 P HA 0.321 nan 4.420 nan 0.000 0.272 349 P C -2.895 174.458 177.300 0.088 0.000 1.223 349 P CA -1.139 62.017 63.100 0.093 0.000 0.784 349 P CB 0.482 32.164 31.700 -0.030 0.000 0.923 350 P HA 0.106 nan 4.420 nan 0.000 0.282 350 P C 0.726 177.949 177.300 -0.129 0.000 1.249 350 P CA 0.037 63.028 63.100 -0.181 0.000 0.806 350 P CB 0.921 32.525 31.700 -0.160 0.000 0.984 351 G N 2.713 111.424 108.800 -0.148 0.000 2.607 351 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.215 351 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.215 351 G C -0.378 174.474 174.900 -0.081 0.000 1.275 351 G CA 0.281 45.331 45.100 -0.083 0.000 0.842 351 G HN 0.641 nan 8.290 nan 0.000 0.555 352 D N 1.084 121.432 120.400 -0.086 0.000 2.181 352 D HA 0.499 5.139 4.640 -0.000 0.000 0.248 352 D C -2.600 173.651 176.300 -0.081 0.000 1.020 352 D CA -2.162 51.799 54.000 -0.066 0.000 0.891 352 D CB 1.416 42.190 40.800 -0.042 0.000 1.187 352 D HN 0.133 nan 8.370 nan 0.000 0.443 353 P HA 0.162 nan 4.420 nan 0.000 0.268 353 P C -2.383 174.912 177.300 -0.009 0.000 1.205 353 P CA -0.965 62.120 63.100 -0.024 0.000 0.771 353 P CB -0.236 31.459 31.700 -0.009 0.000 0.858 354 P HA 0.254 nan 4.420 nan 0.000 0.274 354 P C -0.326 176.956 177.300 -0.030 0.000 1.231 354 P CA -0.006 63.118 63.100 0.041 0.000 0.790 354 P CB 1.041 32.773 31.700 0.055 0.000 0.951 355 R N 2.273 122.777 120.500 0.008 0.000 2.561 355 R HA 0.454 4.794 4.340 -0.000 0.000 0.297 355 R C -2.496 173.801 176.300 -0.005 0.000 0.969 355 R CA -2.097 53.999 56.100 -0.008 0.000 0.879 355 R CB 1.694 32.001 30.300 0.013 0.000 1.178 355 R HN 0.345 nan 8.270 nan 0.000 0.445 356 P HA 0.073 nan 4.420 nan 0.000 0.271 356 P C -1.071 176.096 177.300 -0.222 0.000 1.220 356 P CA 0.056 63.075 63.100 -0.134 0.000 0.768 356 P CB 0.682 32.327 31.700 -0.092 0.000 0.848 357 E N 1.701 121.703 120.200 -0.330 0.000 2.234 357 E HA 0.289 4.639 4.350 -0.000 0.000 0.266 357 E C -0.726 175.687 176.600 -0.312 0.000 0.877 357 E CA -0.369 55.905 56.400 -0.210 0.000 0.758 357 E CB 1.213 30.889 29.700 -0.039 0.000 1.170 357 E HN 0.423 nan 8.360 nan 0.000 0.415 358 Y N 0.438 120.879 120.300 0.236 0.000 2.612 358 Y HA 0.244 4.794 4.550 0.000 0.000 0.250 358 Y C -0.371 175.772 175.900 0.406 0.000 1.175 358 Y CA -0.425 57.876 58.100 0.335 0.000 1.205 358 Y CB 0.963 39.529 38.460 0.178 0.000 1.201 358 Y HN 0.281 nan 8.280 nan 0.000 0.532 359 D N 0.470 121.034 120.400 0.274 0.000 2.629 359 D HA 0.128 4.768 4.640 -0.000 0.000 0.250 359 D C 0.687 176.741 176.300 -0.410 0.000 1.126 359 D CA -0.368 53.657 54.000 0.042 0.000 0.852 359 D CB 2.880 43.711 40.800 0.051 0.000 1.335 359 D HN 0.057 nan 8.370 nan 0.000 0.518 360 L N 3.288 123.970 121.223 -0.901 0.000 2.079 360 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 360 L C 2.124 178.655 176.870 -0.566 0.000 1.081 360 L CA 2.023 56.118 54.840 -1.242 0.000 0.752 360 L CB -0.497 40.712 42.059 -1.416 0.000 0.896 360 L HN 0.546 nan 8.230 nan 0.000 0.433 361 E N -1.075 118.927 120.200 -0.329 0.000 2.338 361 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 361 E C 1.891 178.406 176.600 -0.143 0.000 1.007 361 E CA 1.103 57.395 56.400 -0.180 0.000 0.849 361 E CB -0.435 29.227 29.700 -0.063 0.000 0.774 361 E HN 0.609 nan 8.360 nan 0.000 0.506 362 L N 0.712 121.839 121.223 -0.159 0.000 2.446 362 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 362 L C 0.620 177.421 176.870 -0.115 0.000 1.116 362 L CA -0.294 54.483 54.840 -0.106 0.000 0.844 362 L CB 0.092 42.110 42.059 -0.068 0.000 0.970 362 L HN 0.214 nan 8.230 nan 0.000 0.457 363 I N 1.562 122.024 120.570 -0.180 0.000 2.517 363 I HA 0.004 4.174 4.170 -0.000 0.000 0.285 363 I C 0.646 176.697 176.117 -0.110 0.000 1.106 363 I CA 0.610 61.822 61.300 -0.146 0.000 1.402 363 I CB 0.425 38.301 38.000 -0.206 0.000 1.399 363 I HN 0.098 nan 8.210 nan 0.000 0.535 364 T N 2.121 116.634 114.554 -0.069 0.000 2.791 364 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 364 T C -0.090 174.585 174.700 -0.042 0.000 0.999 364 T CA -0.722 61.348 62.100 -0.049 0.000 0.952 364 T CB 1.384 70.233 68.868 -0.033 0.000 0.938 364 T HN 0.483 nan 8.240 nan 0.000 0.444 365 S N 2.659 118.332 115.700 -0.044 0.000 2.422 365 S HA 0.402 4.872 4.470 -0.000 0.000 0.308 365 S C 0.706 175.274 174.600 -0.054 0.000 1.097 365 S CA -0.558 57.608 58.200 -0.056 0.000 1.099 365 S CB -0.921 62.238 63.200 -0.068 0.000 0.976 365 S HN 1.123 nan 8.310 nan 0.000 0.471 366 C N 3.931 123.199 119.300 -0.054 0.000 4.350 366 C HA -0.172 4.288 4.460 -0.000 0.000 0.302 366 C C 1.281 176.282 174.990 0.018 0.000 1.390 366 C CA 0.627 59.624 59.018 -0.035 0.000 2.016 366 C CB -3.247 24.432 27.740 -0.101 0.000 1.271 366 C HN 1.221 nan 8.230 nan 0.000 0.760 367 S N -2.652 113.057 115.700 0.015 0.000 2.929 367 S HA -0.196 4.274 4.470 -0.000 0.000 0.271 367 S C 0.340 174.955 174.600 0.025 0.000 1.295 367 S CA 1.372 59.583 58.200 0.019 0.000 1.277 367 S CB -0.884 62.336 63.200 0.032 0.000 1.557 367 S HN 0.998 nan 8.310 nan 0.000 0.666 368 S N 2.777 118.507 115.700 0.049 0.000 2.565 368 S HA 0.675 5.145 4.470 -0.000 0.000 0.290 368 S C 0.025 174.638 174.600 0.022 0.000 1.150 368 S CA -0.774 57.480 58.200 0.091 0.000 1.058 368 S CB 1.222 64.530 63.200 0.180 0.000 1.032 368 S HN 0.623 nan 8.310 nan 0.000 0.510 369 N N -0.171 118.536 118.700 0.012 0.000 2.455 369 N HA 0.411 5.151 4.740 -0.000 0.000 0.278 369 N C -1.483 173.979 175.510 -0.081 0.000 1.291 369 N CA -0.673 52.344 53.050 -0.053 0.000 0.780 369 N CB 1.015 39.459 38.487 -0.071 0.000 1.520 369 N HN 0.289 nan 8.380 nan 0.000 0.486 370 V N 0.552 120.388 119.914 -0.131 0.000 2.530 370 V HA 0.384 4.504 4.120 -0.000 0.000 0.282 370 V C 0.497 176.480 176.094 -0.186 0.000 1.048 370 V CA -0.105 62.100 62.300 -0.158 0.000 0.997 370 V CB 0.757 32.488 31.823 -0.154 0.000 0.987 370 V HN 0.833 nan 8.190 nan 0.000 0.477 371 S N 3.212 118.703 115.700 -0.348 0.000 2.704 371 S HA 0.810 5.280 4.470 -0.000 0.000 0.296 371 S C -1.243 173.180 174.600 -0.295 0.000 1.138 371 S CA -0.525 57.474 58.200 -0.335 0.000 0.875 371 S CB 2.094 65.037 63.200 -0.428 0.000 1.151 371 S HN 0.610 nan 8.310 nan 0.000 0.500 372 V N 1.333 121.164 119.914 -0.138 0.000 2.735 372 V HA 0.957 5.077 4.120 -0.000 0.000 0.310 372 V C -0.252 175.797 176.094 -0.076 0.000 1.061 372 V CA 0.187 62.350 62.300 -0.228 0.000 0.913 372 V CB 1.198 32.734 31.823 -0.479 0.000 1.005 372 V HN 1.245 nan 8.190 nan 0.000 0.428 373 A N 5.628 128.343 122.820 -0.174 0.000 2.524 373 A HA 0.916 5.236 4.320 -0.000 0.000 0.289 373 A C -1.593 175.724 177.584 -0.444 0.000 1.248 373 A CA -0.848 50.965 52.037 -0.374 0.000 0.712 373 A CB 1.526 20.104 19.000 -0.704 0.000 1.312 373 A HN 0.816 nan 8.150 nan 0.000 0.441 374 L N 0.573 121.434 121.223 -0.603 0.000 2.325 374 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 374 L C 0.856 177.352 176.870 -0.623 0.000 1.023 374 L CA -0.621 53.854 54.840 -0.607 0.000 0.811 374 L CB 1.614 43.260 42.059 -0.688 0.000 1.249 374 L HN 0.905 nan 8.230 nan 0.000 0.431 375 G N 1.847 110.472 108.800 -0.291 0.000 2.583 375 G HA2 0.597 4.557 3.960 -0.000 0.000 0.280 375 G HA3 0.597 4.557 3.960 -0.000 0.000 0.280 375 G C -2.747 172.214 174.900 0.101 0.000 1.376 375 G CA -1.365 43.676 45.100 -0.098 0.000 1.043 375 G HN 0.315 nan 8.290 nan 0.000 0.538 376 P HA 0.139 nan 4.420 nan 0.000 0.268 376 P C 0.281 177.618 177.300 0.062 0.000 1.208 376 P CA 0.053 63.207 63.100 0.091 0.000 0.777 376 P CB 0.511 32.238 31.700 0.045 0.000 0.875 377 R N 1.078 121.608 120.500 0.051 0.000 3.922 377 R HA -0.203 4.137 4.340 -0.000 0.000 0.447 377 R C 1.130 177.453 176.300 0.037 0.000 1.035 377 R CA 1.141 57.260 56.100 0.032 0.000 1.289 377 R CB -2.671 27.640 30.300 0.019 0.000 1.906 377 R HN 0.963 nan 8.270 nan 0.000 0.540 378 G N 0.774 109.616 108.800 0.069 0.000 2.143 378 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.248 378 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.248 378 G C 0.139 175.020 174.900 -0.032 0.000 0.991 378 G CA 0.625 45.750 45.100 0.041 0.000 0.689 378 G HN 0.340 nan 8.290 nan 0.000 0.522 379 R N 0.021 120.497 120.500 -0.040 0.000 2.490 379 R HA 0.376 4.716 4.340 -0.000 0.000 0.280 379 R C 0.789 177.014 176.300 -0.125 0.000 1.077 379 R CA -0.568 55.496 56.100 -0.059 0.000 1.065 379 R CB 0.558 30.839 30.300 -0.031 0.000 1.003 379 R HN 0.271 nan 8.270 nan 0.000 0.470 380 R N 2.366 122.784 120.500 -0.136 0.000 2.449 380 R HA 0.074 4.414 4.340 -0.000 0.000 0.296 380 R C -0.075 176.068 176.300 -0.262 0.000 1.047 380 R CA 0.213 56.166 56.100 -0.244 0.000 1.018 380 R CB 0.462 30.619 30.300 -0.238 0.000 0.962 380 R HN 0.176 nan 8.270 nan 0.000 0.428 381 R N 3.163 123.462 120.500 -0.334 0.000 2.534 381 R HA 0.272 4.612 4.340 -0.000 0.000 0.301 381 R C -1.041 175.101 176.300 -0.264 0.000 0.961 381 R CA -0.943 55.028 56.100 -0.214 0.000 0.871 381 R CB 1.320 31.543 30.300 -0.129 0.000 1.170 381 R HN 0.487 nan 8.270 nan 0.000 0.446 382 Y N 2.618 122.945 120.300 0.046 0.000 2.352 382 Y HA 0.433 4.983 4.550 -0.000 0.000 0.326 382 Y C 0.301 176.283 175.900 0.136 0.000 1.166 382 Y CA -0.417 57.711 58.100 0.047 0.000 1.182 382 Y CB 1.256 39.695 38.460 -0.036 0.000 1.216 382 Y HN 0.546 nan 8.280 nan 0.000 0.474 383 Y N -0.038 120.335 120.300 0.123 0.000 2.638 383 Y HA 0.667 5.217 4.550 -0.000 0.000 0.335 383 Y C -2.230 173.741 175.900 0.118 0.000 1.155 383 Y CA -1.774 56.379 58.100 0.087 0.000 1.046 383 Y CB 0.781 39.259 38.460 0.031 0.000 1.303 383 Y HN 0.465 nan 8.280 nan 0.000 0.460 384 L N 2.242 123.570 121.223 0.176 0.000 2.292 384 L HA 0.733 5.073 4.340 -0.000 0.000 0.284 384 L C 0.025 177.138 176.870 0.405 0.000 1.065 384 L CA 0.502 55.444 54.840 0.171 0.000 0.806 384 L CB 1.360 43.531 42.059 0.186 0.000 1.175 384 L HN 1.010 nan 8.230 nan 0.000 0.431 385 T N 4.370 119.099 114.554 0.291 0.000 2.716 385 T HA 0.875 5.225 4.350 -0.000 0.000 0.286 385 T C -1.200 173.587 174.700 0.146 0.000 1.052 385 T CA -0.589 61.729 62.100 0.364 0.000 1.024 385 T CB 1.147 70.226 68.868 0.351 0.000 1.349 385 T HN 0.831 nan 8.240 nan 0.000 0.525 386 R N 0.368 120.860 120.500 -0.014 0.000 2.728 386 R HA 0.466 4.806 4.340 -0.000 0.000 0.274 386 R C -1.637 174.448 176.300 -0.358 0.000 1.030 386 R CA -1.006 54.988 56.100 -0.177 0.000 0.876 386 R CB 0.265 30.417 30.300 -0.248 0.000 1.259 386 R HN 0.494 nan 8.270 nan 0.000 0.468 387 D N 1.754 121.964 120.400 -0.317 0.000 2.450 387 D HA 0.066 4.706 4.640 -0.000 0.000 0.247 387 D C -1.399 174.520 176.300 -0.635 0.000 1.162 387 D CA -1.360 52.406 54.000 -0.389 0.000 0.879 387 D CB 1.296 41.964 40.800 -0.221 0.000 1.163 387 D HN 0.348 nan 8.370 nan 0.000 0.472 388 P HA 0.019 nan 4.420 nan 0.000 0.255 388 P C 1.111 178.106 177.300 -0.509 0.000 1.248 388 P CA 0.091 62.503 63.100 -1.147 0.000 0.807 388 P CB 0.352 31.235 31.700 -1.362 0.000 1.150 389 T N 0.012 114.375 114.554 -0.317 0.000 2.607 389 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 389 T C 1.776 176.423 174.700 -0.088 0.000 1.049 389 T CA 2.506 64.519 62.100 -0.146 0.000 1.162 389 T CB -1.176 67.645 68.868 -0.078 0.000 0.863 389 T HN 0.193 nan 8.240 nan 0.000 0.424 390 T N 2.150 116.658 114.554 -0.077 0.000 2.737 390 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 390 T C -0.552 174.131 174.700 -0.028 0.000 1.038 390 T CA 1.116 63.200 62.100 -0.026 0.000 1.144 390 T CB -1.212 67.679 68.868 0.039 0.000 0.866 390 T HN 0.322 nan 8.240 nan 0.000 0.434 391 P HA -0.069 nan 4.420 nan 0.000 0.216 391 P C 1.490 178.861 177.300 0.118 0.000 1.154 391 P CA 1.059 64.207 63.100 0.080 0.000 0.865 391 P CB -0.201 31.554 31.700 0.091 0.000 0.789 392 L N -1.455 119.789 121.223 0.035 0.000 2.056 392 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 392 L C 2.518 179.436 176.870 0.080 0.000 1.078 392 L CA 1.512 56.386 54.840 0.056 0.000 0.749 392 L CB -1.197 40.853 42.059 -0.015 0.000 0.901 392 L HN -0.061 nan 8.230 nan 0.000 0.433 393 A N 0.249 123.105 122.820 0.060 0.000 1.902 393 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 393 A C 2.390 180.052 177.584 0.131 0.000 1.181 393 A CA 1.572 53.661 52.037 0.086 0.000 0.623 393 A CB -0.452 18.572 19.000 0.040 0.000 0.818 393 A HN 0.336 nan 8.150 nan 0.000 0.443 394 R N -0.637 119.919 120.500 0.093 0.000 2.090 394 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 394 R C 2.506 178.986 176.300 0.300 0.000 1.110 394 R CA 1.031 57.213 56.100 0.136 0.000 0.973 394 R CB -0.476 29.853 30.300 0.048 0.000 0.869 394 R HN 0.496 nan 8.270 nan 0.000 0.440 395 A N 1.563 124.582 122.820 0.332 0.000 1.908 395 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 395 A C 2.390 180.196 177.584 0.370 0.000 1.181 395 A CA 1.898 54.231 52.037 0.494 0.000 0.627 395 A CB -0.675 18.622 19.000 0.494 0.000 0.818 395 A HN 0.407 nan 8.150 nan 0.000 0.445 396 A N -1.518 121.434 122.820 0.220 0.000 1.898 396 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 396 A C 2.111 179.829 177.584 0.223 0.000 1.181 396 A CA 1.392 53.521 52.037 0.154 0.000 0.620 396 A CB -0.841 18.232 19.000 0.121 0.000 0.819 396 A HN 0.839 nan 8.150 nan 0.000 0.442 397 W N 1.058 122.421 121.300 0.106 0.000 2.355 397 W HA -0.134 4.526 4.660 -0.000 0.000 0.309 397 W C 1.584 178.184 176.519 0.134 0.000 1.206 397 W CA 1.906 59.308 57.345 0.095 0.000 1.284 397 W CB -0.366 29.127 29.460 0.056 0.000 1.145 397 W HN 0.537 nan 8.180 nan 0.000 0.502 398 E N -0.698 119.800 120.200 0.497 0.000 2.418 398 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 398 E C 1.945 178.767 176.600 0.371 0.000 1.026 398 E CA 1.378 58.048 56.400 0.450 0.000 0.862 398 E CB -0.036 29.981 29.700 0.529 0.000 0.799 398 E HN 0.102 nan 8.360 nan 0.000 0.518 399 T N -0.117 114.613 114.554 0.294 0.000 2.896 399 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 399 T C 1.877 176.638 174.700 0.101 0.000 1.050 399 T CA 0.804 63.018 62.100 0.190 0.000 1.140 399 T CB 0.137 69.102 68.868 0.160 0.000 0.877 399 T HN 0.074 nan 8.240 nan 0.000 0.457 400 V N 0.350 120.286 119.914 0.037 0.000 3.125 400 V HA 0.290 4.410 4.120 -0.000 0.000 0.249 400 V C 0.116 176.178 176.094 -0.053 0.000 1.113 400 V CA 0.415 62.689 62.300 -0.043 0.000 1.106 400 V CB 0.007 31.753 31.823 -0.128 0.000 0.768 400 V HN 0.131 nan 8.190 nan 0.000 0.468 401 R N 1.417 121.890 120.500 -0.044 0.000 2.337 401 R HA 0.294 4.634 4.340 -0.000 0.000 0.319 401 R C -0.886 175.522 176.300 0.181 0.000 0.954 401 R CA -0.562 55.554 56.100 0.027 0.000 0.840 401 R CB 0.811 31.079 30.300 -0.054 0.000 1.164 401 R HN 0.620 nan 8.270 nan 0.000 0.472 402 H N 0.847 119.986 119.070 0.114 0.000 2.975 402 H HA 0.148 4.704 4.556 -0.000 0.000 0.303 402 H C -0.690 174.725 175.328 0.146 0.000 1.023 402 H CA 0.493 56.629 56.048 0.147 0.000 1.473 402 H CB 0.635 30.464 29.762 0.112 0.000 1.498 402 H HN 0.271 nan 8.280 nan 0.000 0.549 403 S N 7.515 123.025 115.700 -0.318 0.000 2.457 403 S HA 0.145 4.615 4.470 -0.000 0.000 0.289 403 S C -1.421 172.854 174.600 -0.541 0.000 1.163 403 S CA -1.131 56.884 58.200 -0.309 0.000 1.078 403 S CB 1.546 64.734 63.200 -0.021 0.000 0.987 403 S HN 0.759 nan 8.310 nan 0.000 0.482 404 P HA -0.004 nan 4.420 nan 0.000 0.218 404 P C -0.087 177.171 177.300 -0.069 0.000 1.149 404 P CA 1.026 63.957 63.100 -0.282 0.000 0.817 404 P CB 0.007 31.428 31.700 -0.465 0.000 0.785 405 I N 0.995 121.525 120.570 -0.067 0.000 2.411 405 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 405 I C 0.360 176.472 176.117 -0.008 0.000 1.012 405 I CA -1.748 59.551 61.300 -0.002 0.000 1.119 405 I CB 0.539 38.536 38.000 -0.004 0.000 1.261 405 I HN -0.033 nan 8.210 nan 0.000 0.448 406 N N 3.418 122.113 118.700 -0.007 0.000 2.448 406 N HA 0.386 5.126 4.740 -0.000 0.000 0.274 406 N C 0.727 176.217 175.510 -0.033 0.000 1.239 406 N CA -0.304 52.725 53.050 -0.036 0.000 0.982 406 N CB 0.962 39.348 38.487 -0.168 0.000 1.199 406 N HN 0.435 nan 8.380 nan 0.000 0.576 407 S N -2.029 113.668 115.700 -0.006 0.000 2.564 407 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 407 S C 1.568 176.179 174.600 0.017 0.000 1.067 407 S CA -0.369 57.861 58.200 0.051 0.000 0.908 407 S CB -0.795 62.466 63.200 0.101 0.000 0.809 407 S HN 0.790 nan 8.310 nan 0.000 0.491 408 W N 1.900 123.168 121.300 -0.053 0.000 2.342 408 W HA -0.041 4.618 4.660 -0.000 0.000 0.297 408 W C 1.512 177.889 176.519 -0.236 0.000 1.213 408 W CA 0.484 57.730 57.345 -0.165 0.000 1.251 408 W CB -1.003 28.122 29.460 -0.557 0.000 1.136 408 W HN 0.350 nan 8.180 nan 0.000 0.526 409 L N 2.788 123.398 121.223 -1.023 0.000 2.109 409 L HA 0.149 4.489 4.340 -0.000 0.000 0.207 409 L C 2.685 179.076 176.870 -0.799 0.000 1.086 409 L CA 2.556 56.734 54.840 -1.103 0.000 0.760 409 L CB -1.334 39.737 42.059 -1.647 0.000 0.910 409 L HN 0.054 nan 8.230 nan 0.000 0.437 410 G N -0.805 107.693 108.800 -0.504 0.000 2.418 410 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 410 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 410 G C 1.417 176.349 174.900 0.052 0.000 1.158 410 G CA 1.044 46.116 45.100 -0.047 0.000 0.771 410 G HN 0.544 nan 8.290 nan 0.000 0.545 411 N N 0.132 118.916 118.700 0.141 0.000 2.120 411 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 411 N C 2.173 177.800 175.510 0.195 0.000 1.024 411 N CA 0.794 54.042 53.050 0.330 0.000 0.852 411 N CB -0.139 38.622 38.487 0.458 0.000 1.003 411 N HN 0.282 nan 8.380 nan 0.000 0.424 412 I N 0.974 121.598 120.570 0.090 0.000 2.163 412 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 412 I C 1.927 178.048 176.117 0.007 0.000 1.085 412 I CA 1.239 62.565 61.300 0.043 0.000 1.347 412 I CB -0.288 37.773 38.000 0.101 0.000 1.044 412 I HN 0.185 nan 8.210 nan 0.000 0.408 413 I N 0.040 120.599 120.570 -0.018 0.000 2.233 413 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 413 I C 2.621 178.833 176.117 0.160 0.000 1.093 413 I CA 1.336 62.676 61.300 0.067 0.000 1.380 413 I CB -0.451 37.561 38.000 0.019 0.000 1.067 413 I HN 0.278 nan 8.210 nan 0.000 0.413 414 Q N -0.068 119.760 119.800 0.047 0.000 2.084 414 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 414 Q C 0.881 176.676 176.000 -0.340 0.000 0.978 414 Q CA 1.584 57.307 55.803 -0.133 0.000 0.844 414 Q CB 0.035 28.557 28.738 -0.361 0.000 0.898 414 Q HN 0.542 nan 8.270 nan 0.000 0.426 415 Y N -1.286 119.016 120.300 0.004 0.000 2.681 415 Y HA 0.360 4.910 4.550 0.000 0.000 0.267 415 Y C 1.372 177.016 175.900 -0.426 0.000 1.166 415 Y CA -0.184 57.800 58.100 -0.193 0.000 1.209 415 Y CB -0.166 38.114 38.460 -0.300 0.000 1.161 415 Y HN 0.065 nan 8.280 nan 0.000 0.534 416 A N 1.507 124.125 122.820 -0.337 0.000 1.927 416 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 416 A C -0.289 177.027 177.584 -0.447 0.000 1.185 416 A CA 1.918 53.723 52.037 -0.385 0.000 0.639 416 A CB -1.488 17.296 19.000 -0.359 0.000 0.820 416 A HN 0.268 nan 8.150 nan 0.000 0.451 417 P HA 0.046 nan 4.420 nan 0.000 0.245 417 P C 0.490 177.514 177.300 -0.460 0.000 1.212 417 P CA 1.046 63.871 63.100 -0.459 0.000 0.774 417 P CB -0.760 30.665 31.700 -0.459 0.000 0.999 418 T N -2.770 111.521 114.554 -0.439 0.000 2.918 418 T HA 0.186 4.536 4.350 -0.000 0.000 0.302 418 T C 1.299 175.634 174.700 -0.609 0.000 1.045 418 T CA -0.628 61.200 62.100 -0.453 0.000 1.114 418 T CB 0.742 69.223 68.868 -0.644 0.000 0.965 418 T HN -0.116 nan 8.240 nan 0.000 0.540 419 I N 1.981 122.090 120.570 -0.768 0.000 2.361 419 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 419 I C 2.034 177.846 176.117 -0.508 0.000 1.133 419 I CA 1.269 62.051 61.300 -0.864 0.000 1.413 419 I CB -0.125 37.136 38.000 -1.230 0.000 1.073 419 I HN 0.886 nan 8.210 nan 0.000 0.424 420 W N -0.361 120.723 121.300 -0.361 0.000 2.476 420 W HA 0.006 4.666 4.660 0.000 0.000 0.281 420 W C 1.854 178.234 176.519 -0.232 0.000 1.230 420 W CA 0.441 57.611 57.345 -0.291 0.000 1.287 420 W CB -1.517 27.810 29.460 -0.221 0.000 1.108 420 W HN -0.061 nan 8.180 nan 0.000 0.567 421 V N 2.524 122.000 119.914 -0.729 0.000 2.283 421 V HA -0.256 3.864 4.120 -0.000 0.000 0.243 421 V C 2.881 178.817 176.094 -0.265 0.000 1.039 421 V CA 2.272 64.279 62.300 -0.488 0.000 1.016 421 V CB -0.711 30.735 31.823 -0.629 0.000 0.650 421 V HN 0.037 nan 8.190 nan 0.000 0.449 422 R N -0.467 119.807 120.500 -0.376 0.000 2.070 422 R HA -0.125 4.215 4.340 -0.000 0.000 0.233 422 R C 2.270 178.382 176.300 -0.313 0.000 1.137 422 R CA 1.811 57.700 56.100 -0.351 0.000 0.945 422 R CB -0.353 29.597 30.300 -0.584 0.000 0.845 422 R HN 0.433 nan 8.270 nan 0.000 0.430 423 M N -0.404 118.868 119.600 -0.547 0.000 2.287 423 M HA -0.044 4.435 4.480 -0.000 0.000 0.266 423 M C 1.967 178.191 176.300 -0.126 0.000 1.079 423 M CA 1.023 56.081 55.300 -0.403 0.000 1.146 423 M CB 0.342 32.618 32.600 -0.541 0.000 1.374 423 M HN -0.011 nan 8.290 nan 0.000 0.435 424 V N -0.651 119.033 119.914 -0.384 0.000 2.602 424 V HA -0.047 4.073 4.120 -0.000 0.000 0.235 424 V C 2.052 177.924 176.094 -0.371 0.000 1.087 424 V CA 0.562 62.343 62.300 -0.865 0.000 1.117 424 V CB -0.463 30.781 31.823 -0.965 0.000 0.820 424 V HN 0.216 nan 8.190 nan 0.000 0.490 425 L N -0.447 120.740 121.223 -0.059 0.000 2.056 425 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 425 L C 2.338 179.451 176.870 0.404 0.000 1.078 425 L CA 2.008 56.991 54.840 0.237 0.000 0.749 425 L CB -0.882 41.363 42.059 0.309 0.000 0.901 425 L HN 0.257 nan 8.230 nan 0.000 0.433 426 M N -1.607 118.206 119.600 0.356 0.000 2.086 426 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 426 M C 2.099 178.886 176.300 0.812 0.000 1.067 426 M CA 2.057 57.696 55.300 0.565 0.000 1.116 426 M CB -0.558 32.238 32.600 0.327 0.000 1.348 426 M HN 0.224 nan 8.290 nan 0.000 0.407 427 T N -1.299 113.705 114.554 0.750 0.000 2.652 427 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 427 T C 1.632 176.616 174.700 0.474 0.000 1.039 427 T CA 1.992 64.505 62.100 0.689 0.000 1.153 427 T CB -0.591 68.708 68.868 0.719 0.000 0.863 427 T HN 0.467 nan 8.240 nan 0.000 0.428 428 H N 0.387 119.620 119.070 0.271 0.000 2.293 428 H HA -0.030 4.526 4.556 0.000 0.000 0.300 428 H C 1.789 176.996 175.328 -0.201 0.000 1.082 428 H CA 1.634 57.701 56.048 0.032 0.000 1.308 428 H CB -0.526 29.115 29.762 -0.202 0.000 1.375 428 H HN 0.356 nan 8.280 nan 0.000 0.495 429 F N -1.127 118.768 119.950 -0.092 0.000 2.293 429 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 429 F C 2.007 177.643 175.800 -0.273 0.000 1.089 429 F CA 0.568 58.312 58.000 -0.426 0.000 1.377 429 F CB -0.523 37.990 39.000 -0.811 0.000 1.051 429 F HN 0.140 nan 8.300 nan 0.000 0.511 430 F N -0.584 119.482 119.950 0.194 0.000 2.186 430 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 430 F C 2.744 178.570 175.800 0.043 0.000 1.090 430 F CA 1.470 59.576 58.000 0.176 0.000 1.307 430 F CB -0.836 38.350 39.000 0.310 0.000 1.019 430 F HN -0.075 nan 8.300 nan 0.000 0.489 431 S N 0.590 116.373 115.700 0.137 0.000 2.353 431 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 431 S C 2.181 176.736 174.600 -0.074 0.000 1.035 431 S CA 1.497 59.699 58.200 0.004 0.000 1.025 431 S CB -0.405 62.780 63.200 -0.025 0.000 0.902 431 S HN 0.192 nan 8.310 nan 0.000 0.440 432 I N 1.809 122.252 120.570 -0.211 0.000 2.208 432 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 432 I C 2.390 178.455 176.117 -0.086 0.000 1.097 432 I CA 1.221 62.388 61.300 -0.221 0.000 1.363 432 I CB -1.520 36.233 38.000 -0.411 0.000 1.051 432 I HN 0.374 nan 8.210 nan 0.000 0.413 433 L N -0.447 120.747 121.223 -0.048 0.000 2.083 433 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 433 L C 2.696 179.589 176.870 0.038 0.000 1.083 433 L CA 1.287 56.135 54.840 0.013 0.000 0.752 433 L CB -0.377 41.685 42.059 0.005 0.000 0.899 433 L HN 0.219 nan 8.230 nan 0.000 0.433 434 M N -1.307 118.320 119.600 0.046 0.000 2.200 434 M HA -0.144 4.336 4.480 -0.000 0.000 0.265 434 M C 2.314 178.622 176.300 0.014 0.000 1.066 434 M CA 1.103 56.429 55.300 0.044 0.000 1.127 434 M CB -0.251 32.380 32.600 0.053 0.000 1.379 434 M HN 0.060 nan 8.290 nan 0.000 0.420 435 V N 0.748 120.657 119.914 -0.009 0.000 2.332 435 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 435 V C 2.023 178.111 176.094 -0.010 0.000 1.055 435 V CA 1.869 64.157 62.300 -0.019 0.000 1.038 435 V CB -0.765 31.033 31.823 -0.043 0.000 0.651 435 V HN 0.566 nan 8.190 nan 0.000 0.450 436 Q N -1.042 118.756 119.800 -0.004 0.000 2.425 436 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 436 Q C 0.645 176.654 176.000 0.015 0.000 0.933 436 Q CA 0.426 56.232 55.803 0.005 0.000 0.939 436 Q CB 0.114 28.859 28.738 0.010 0.000 1.044 436 Q HN 0.607 nan 8.270 nan 0.000 0.513 437 D N 1.091 121.504 120.400 0.022 0.000 2.699 437 D HA -0.135 4.505 4.640 -0.000 0.000 0.239 437 D C -0.269 176.055 176.300 0.039 0.000 1.136 437 D CA 1.412 55.430 54.000 0.031 0.000 0.668 437 D CB -1.096 39.717 40.800 0.022 0.000 1.060 437 D HN 0.456 nan 8.370 nan 0.000 0.429 438 T N -3.143 111.441 114.554 0.049 0.000 3.339 438 T HA 0.322 4.672 4.350 -0.000 0.000 0.292 438 T C 2.041 176.789 174.700 0.080 0.000 1.012 438 T CA -0.301 61.835 62.100 0.061 0.000 0.937 438 T CB -0.251 68.654 68.868 0.061 0.000 1.164 438 T HN 0.219 nan 8.240 nan 0.000 0.509 439 L N 0.762 122.036 121.223 0.085 0.000 2.013 439 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 439 L C 1.404 178.338 176.870 0.108 0.000 1.073 439 L CA 1.526 56.430 54.840 0.107 0.000 0.753 439 L CB -0.225 41.920 42.059 0.144 0.000 0.890 439 L HN 0.362 nan 8.230 nan 0.000 0.432 440 D N 0.486 120.943 120.400 0.094 0.000 2.631 440 D HA 0.123 4.763 4.640 -0.000 0.000 0.227 440 D C -0.439 175.909 176.300 0.079 0.000 1.146 440 D CA 0.162 54.214 54.000 0.086 0.000 1.009 440 D CB 0.049 40.893 40.800 0.073 0.000 1.057 440 D HN 0.144 nan 8.370 nan 0.000 0.509 441 Q N 2.376 122.229 119.800 0.089 0.000 2.364 441 Q HA 0.170 4.510 4.340 -0.000 0.000 0.251 441 Q C -1.298 174.765 176.000 0.106 0.000 0.927 441 Q CA -0.849 55.008 55.803 0.091 0.000 0.924 441 Q CB 0.721 29.512 28.738 0.088 0.000 1.419 441 Q HN 0.075 nan 8.270 nan 0.000 0.427 442 N N 3.601 122.367 118.700 0.110 0.000 2.458 442 N HA 0.227 4.967 4.740 -0.000 0.000 0.258 442 N C -0.795 174.805 175.510 0.150 0.000 1.219 442 N CA 0.638 53.768 53.050 0.133 0.000 0.902 442 N CB 0.438 39.010 38.487 0.142 0.000 1.076 442 N HN 0.478 nan 8.380 nan 0.000 0.455 443 L N 1.852 123.172 121.223 0.161 0.000 2.362 443 L HA 0.397 4.737 4.340 -0.000 0.000 0.271 443 L C 0.138 177.158 176.870 0.249 0.000 1.002 443 L CA -0.864 54.077 54.840 0.169 0.000 0.818 443 L CB 1.697 43.800 42.059 0.074 0.000 1.298 443 L HN 0.391 nan 8.230 nan 0.000 0.420 444 N N 2.136 120.971 118.700 0.224 0.000 2.499 444 N HA 0.638 5.378 4.740 -0.000 0.000 0.281 444 N C -1.164 174.464 175.510 0.196 0.000 1.098 444 N CA -0.321 52.855 53.050 0.211 0.000 0.979 444 N CB 1.012 39.608 38.487 0.183 0.000 1.121 444 N HN 0.393 nan 8.380 nan 0.000 0.466 445 F N -1.484 118.456 119.950 -0.018 0.000 2.662 445 F HA 0.579 5.106 4.527 -0.000 0.000 0.312 445 F C -0.685 175.111 175.800 -0.005 0.000 1.113 445 F CA -1.400 56.546 58.000 -0.090 0.000 0.951 445 F CB 1.312 40.175 39.000 -0.228 0.000 1.344 445 F HN 0.185 nan 8.300 nan 0.000 0.462 446 E N 2.271 122.529 120.200 0.097 0.000 2.216 446 E HA 0.573 4.923 4.350 -0.000 0.000 0.279 446 E C -1.250 175.466 176.600 0.193 0.000 0.997 446 E CA -0.555 55.882 56.400 0.062 0.000 0.817 446 E CB 1.404 31.148 29.700 0.073 0.000 1.096 446 E HN 0.795 nan 8.360 nan 0.000 0.393 447 M N 4.740 124.445 119.600 0.174 0.000 2.255 447 M HA 0.220 4.700 4.480 -0.000 0.000 0.275 447 M C -1.379 175.145 176.300 0.374 0.000 1.050 447 M CA -0.523 54.931 55.300 0.256 0.000 0.978 447 M CB 0.939 33.571 32.600 0.053 0.000 1.761 447 M HN 0.651 nan 8.290 nan 0.000 0.479 448 Y N 2.472 122.886 120.300 0.189 0.000 3.491 448 Y HA -0.183 4.367 4.550 0.000 0.000 0.215 448 Y C 1.144 177.093 175.900 0.081 0.000 1.219 448 Y CA 1.963 60.202 58.100 0.232 0.000 1.485 448 Y CB -2.369 36.290 38.460 0.331 0.000 1.450 448 Y HN 1.152 nan 8.280 nan 0.000 0.603 449 G N -1.007 107.909 108.800 0.194 0.000 2.168 449 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.263 449 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.263 449 G C 0.360 175.252 174.900 -0.014 0.000 0.977 449 G CA 0.943 46.080 45.100 0.061 0.000 0.659 449 G HN 1.474 nan 8.290 nan 0.000 0.533 450 S N -1.779 113.907 115.700 -0.024 0.000 2.709 450 S HA 0.839 5.309 4.470 -0.000 0.000 0.302 450 S C -0.366 174.084 174.600 -0.251 0.000 1.127 450 S CA -0.331 57.778 58.200 -0.152 0.000 0.905 450 S CB 2.827 65.893 63.200 -0.223 0.000 1.151 450 S HN 1.030 nan 8.310 nan 0.000 0.510 451 V N 1.600 121.290 119.914 -0.373 0.000 2.472 451 V HA 0.553 4.673 4.120 -0.000 0.000 0.290 451 V C -1.252 174.359 176.094 -0.806 0.000 1.037 451 V CA -0.416 61.668 62.300 -0.360 0.000 0.908 451 V CB 0.296 32.092 31.823 -0.045 0.000 0.985 451 V HN 0.878 nan 8.190 nan 0.000 0.454 452 Y N 1.133 120.961 120.300 -0.787 0.000 2.605 452 Y HA 0.656 5.206 4.550 -0.000 0.000 0.343 452 Y C 0.250 175.743 175.900 -0.678 0.000 1.036 452 Y CA -0.727 56.780 58.100 -0.987 0.000 1.065 452 Y CB 2.341 39.951 38.460 -1.417 0.000 1.288 452 Y HN 0.542 nan 8.280 nan 0.000 0.481 453 S N 1.128 116.741 115.700 -0.145 0.000 2.561 453 S HA 0.822 5.292 4.470 -0.000 0.000 0.303 453 S C -1.907 172.894 174.600 0.335 0.000 1.110 453 S CA -0.428 57.883 58.200 0.185 0.000 1.034 453 S CB 0.733 64.079 63.200 0.243 0.000 1.010 453 S HN 0.438 nan 8.310 nan 0.000 0.482 454 V N 4.991 125.158 119.914 0.420 0.000 2.760 454 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 454 V C -0.471 175.722 176.094 0.165 0.000 1.077 454 V CA -1.096 61.389 62.300 0.309 0.000 0.910 454 V CB 2.168 34.200 31.823 0.349 0.000 1.008 454 V HN 0.906 nan 8.190 nan 0.000 0.424 455 N N 5.569 124.343 118.700 0.124 0.000 2.420 455 N HA 0.259 4.999 4.740 -0.000 0.000 0.262 455 N C -1.782 173.781 175.510 0.088 0.000 1.144 455 N CA -1.750 51.359 53.050 0.098 0.000 0.952 455 N CB 1.969 40.510 38.487 0.090 0.000 1.081 455 N HN 0.261 nan 8.380 nan 0.000 0.480 456 P HA -0.107 nan 4.420 nan 0.000 0.218 456 P C 1.304 178.739 177.300 0.225 0.000 1.146 456 P CA 1.020 64.171 63.100 0.085 0.000 0.813 456 P CB 0.289 31.983 31.700 -0.010 0.000 0.778 457 L N -0.903 120.442 121.223 0.203 0.000 2.456 457 L HA -0.099 4.241 4.340 -0.000 0.000 0.224 457 L C 1.156 178.108 176.870 0.136 0.000 1.148 457 L CA 1.107 56.076 54.840 0.215 0.000 0.825 457 L CB -0.610 41.544 42.059 0.158 0.000 0.937 457 L HN -0.014 nan 8.230 nan 0.000 0.450 458 D N -0.413 120.052 120.400 0.108 0.000 2.339 458 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 458 D C 2.216 178.557 176.300 0.068 0.000 1.050 458 D CA 0.202 54.237 54.000 0.058 0.000 0.856 458 D CB 0.402 41.222 40.800 0.033 0.000 0.922 458 D HN 0.280 nan 8.370 nan 0.000 0.518 459 L N 1.023 122.326 121.223 0.134 0.000 2.043 459 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 459 L C -0.448 176.520 176.870 0.163 0.000 1.075 459 L CA 1.561 56.498 54.840 0.162 0.000 0.752 459 L CB -1.475 40.741 42.059 0.261 0.000 0.891 459 L HN 0.040 nan 8.230 nan 0.000 0.432 460 P HA -0.219 nan 4.420 nan 0.000 0.215 460 P C 1.458 178.829 177.300 0.118 0.000 1.157 460 P CA 1.995 65.132 63.100 0.062 0.000 0.874 460 P CB -0.024 31.516 31.700 -0.266 0.000 0.790 461 A N -1.067 121.753 122.820 0.000 0.000 1.898 461 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 461 A C 2.213 179.800 177.584 0.005 0.000 1.181 461 A CA 1.436 53.465 52.037 -0.013 0.000 0.620 461 A CB -1.617 17.348 19.000 -0.058 0.000 0.819 461 A HN 0.108 nan 8.150 nan 0.000 0.442 462 I N -0.361 120.211 120.570 0.003 0.000 2.179 462 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 462 I C 2.283 178.417 176.117 0.028 0.000 1.088 462 I CA 1.267 62.543 61.300 -0.039 0.000 1.357 462 I CB -0.276 37.705 38.000 -0.033 0.000 1.051 462 I HN 0.293 nan 8.210 nan 0.000 0.409 463 I N 0.381 121.029 120.570 0.130 0.000 2.252 463 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 463 I C 2.632 178.789 176.117 0.066 0.000 1.102 463 I CA 1.433 62.836 61.300 0.173 0.000 1.385 463 I CB -0.385 37.734 38.000 0.198 0.000 1.064 463 I HN 0.294 nan 8.210 nan 0.000 0.414 464 E N 1.111 121.379 120.200 0.112 0.000 2.085 464 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 464 E C 2.297 178.905 176.600 0.014 0.000 0.994 464 E CA 1.300 57.744 56.400 0.073 0.000 0.801 464 E CB 0.041 29.874 29.700 0.222 0.000 0.743 464 E HN 0.157 nan 8.360 nan 0.000 0.453 465 R N 0.551 121.047 120.500 -0.007 0.000 2.083 465 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 465 R C 2.280 178.531 176.300 -0.081 0.000 1.137 465 R CA 1.628 57.697 56.100 -0.053 0.000 0.951 465 R CB -0.508 29.734 30.300 -0.097 0.000 0.851 465 R HN 0.277 nan 8.270 nan 0.000 0.434 466 L N -1.507 119.639 121.223 -0.128 0.000 2.162 466 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 466 L C 1.732 178.362 176.870 -0.400 0.000 1.086 466 L CA 0.903 55.579 54.840 -0.274 0.000 0.778 466 L CB -0.257 41.576 42.059 -0.377 0.000 0.928 466 L HN 0.348 nan 8.230 nan 0.000 0.446 467 H N -0.914 118.121 119.070 -0.058 0.000 3.046 467 H HA 0.319 4.875 4.556 0.000 0.000 0.262 467 H C 0.917 176.178 175.328 -0.113 0.000 1.044 467 H CA 0.698 56.691 56.048 -0.092 0.000 1.209 467 H CB 0.905 30.580 29.762 -0.145 0.000 1.507 467 H HN 0.260 nan 8.280 nan 0.000 0.507 468 G N 1.099 109.891 108.800 -0.014 0.000 2.787 468 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.685 468 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.685 468 G C 0.739 175.580 174.900 -0.098 0.000 1.437 468 G CA -0.134 44.951 45.100 -0.026 0.000 0.872 468 G HN 0.250 nan 8.290 nan 0.000 0.566 469 L N 0.159 121.381 121.223 -0.000 0.000 2.261 469 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 469 L C 2.519 179.376 176.870 -0.023 0.000 1.114 469 L CA 1.703 56.592 54.840 0.081 0.000 0.777 469 L CB -0.285 41.884 42.059 0.184 0.000 0.910 469 L HN 0.632 nan 8.230 nan 0.000 0.440 470 D N 0.129 120.492 120.400 -0.062 0.000 2.221 470 D HA -0.183 4.457 4.640 -0.000 0.000 0.204 470 D C 2.197 178.397 176.300 -0.168 0.000 0.982 470 D CA 1.331 55.285 54.000 -0.077 0.000 0.857 470 D CB 0.018 40.777 40.800 -0.068 0.000 0.934 470 D HN 0.356 nan 8.370 nan 0.000 0.475 471 A N -0.211 122.416 122.820 -0.322 0.000 2.125 471 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 471 A C 1.358 178.724 177.584 -0.363 0.000 1.156 471 A CA 0.784 52.561 52.037 -0.434 0.000 0.671 471 A CB -0.623 18.035 19.000 -0.570 0.000 0.794 471 A HN 0.161 nan 8.150 nan 0.000 0.459 472 F N -1.093 118.868 119.950 0.018 0.000 2.727 472 F HA 0.251 4.778 4.527 -0.000 0.000 0.302 472 F C 1.609 177.438 175.800 0.048 0.000 1.097 472 F CA 0.282 58.309 58.000 0.045 0.000 1.330 472 F CB 0.163 39.203 39.000 0.067 0.000 1.084 472 F HN 0.073 nan 8.300 nan 0.000 0.578 473 S N -0.799 114.982 115.700 0.135 0.000 2.893 473 S HA 0.214 4.684 4.470 -0.000 0.000 0.258 473 S C 0.491 175.155 174.600 0.108 0.000 1.034 473 S CA -0.258 58.016 58.200 0.124 0.000 1.167 473 S CB 0.254 63.515 63.200 0.101 0.000 1.137 473 S HN -0.080 nan 8.310 nan 0.000 0.650 474 M N 4.114 123.694 119.600 -0.033 0.000 2.260 474 M HA 0.154 4.634 4.480 -0.000 0.000 0.348 474 M C 0.335 176.523 176.300 -0.185 0.000 1.342 474 M CA 1.046 56.197 55.300 -0.248 0.000 1.040 474 M CB -0.588 31.739 32.600 -0.455 0.000 1.810 474 M HN 0.463 nan 8.290 nan 0.000 0.453 475 H N 0.017 118.852 119.070 -0.392 0.000 2.942 475 H HA 0.361 4.917 4.556 -0.000 0.000 0.316 475 H C -0.569 174.560 175.328 -0.332 0.000 1.323 475 H CA -0.593 55.306 56.048 -0.248 0.000 1.144 475 H CB 0.531 30.249 29.762 -0.074 0.000 1.866 475 H HN 0.584 nan 8.280 nan 0.000 0.545 476 T N 0.785 115.291 114.554 -0.080 0.000 3.506 476 T HA -0.229 4.121 4.350 -0.000 0.000 0.407 476 T C -0.358 174.202 174.700 -0.234 0.000 0.766 476 T CA 0.775 62.797 62.100 -0.131 0.000 2.070 476 T CB -2.652 66.120 68.868 -0.160 0.000 1.712 476 T HN 0.439 nan 8.240 nan 0.000 0.692 477 Y N 1.401 121.629 120.300 -0.121 0.000 2.426 477 Y HA 0.296 4.846 4.550 -0.000 0.000 0.344 477 Y C 1.529 177.353 175.900 -0.126 0.000 1.256 477 Y CA 0.169 58.216 58.100 -0.087 0.000 1.451 477 Y CB 0.493 38.928 38.460 -0.041 0.000 1.342 477 Y HN 0.542 nan 8.280 nan 0.000 0.600 478 S N 1.106 116.857 115.700 0.085 0.000 2.579 478 S HA 0.010 4.480 4.470 -0.000 0.000 0.275 478 S C 0.856 175.436 174.600 -0.033 0.000 1.345 478 S CA -0.652 57.517 58.200 -0.051 0.000 1.031 478 S CB 0.512 63.692 63.200 -0.033 0.000 0.892 478 S HN 0.724 nan 8.310 nan 0.000 0.529 479 H N 1.854 120.923 119.070 -0.002 0.000 2.352 479 H HA -0.104 4.453 4.556 0.001 0.000 0.299 479 H C 1.943 177.345 175.328 0.124 0.000 1.097 479 H CA 2.536 58.608 56.048 0.041 0.000 1.311 479 H CB -0.705 29.068 29.762 0.019 0.000 1.377 479 H HN 0.878 nan 8.280 nan 0.000 0.504 480 H N -0.281 118.881 119.070 0.154 0.000 2.352 480 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 480 H C 2.414 177.783 175.328 0.068 0.000 1.097 480 H CA 1.026 57.126 56.048 0.086 0.000 1.311 480 H CB 0.380 30.173 29.762 0.052 0.000 1.377 480 H HN 0.296 nan 8.280 nan 0.000 0.504 481 E N 1.356 121.676 120.200 0.201 0.000 2.028 481 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 481 E C 2.187 178.853 176.600 0.111 0.000 0.988 481 E CA 0.760 57.251 56.400 0.152 0.000 0.799 481 E CB -0.279 29.547 29.700 0.209 0.000 0.755 481 E HN 0.374 nan 8.360 nan 0.000 0.447 482 L N 0.155 121.446 121.223 0.113 0.000 2.042 482 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 482 L C 2.564 179.483 176.870 0.083 0.000 1.076 482 L CA 1.754 56.641 54.840 0.078 0.000 0.749 482 L CB -0.833 41.288 42.059 0.103 0.000 0.893 482 L HN 0.228 nan 8.230 nan 0.000 0.432 483 T N -0.847 113.777 114.554 0.118 0.000 2.684 483 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 483 T C 2.029 176.756 174.700 0.045 0.000 1.036 483 T CA 1.685 63.839 62.100 0.090 0.000 1.148 483 T CB -0.205 68.730 68.868 0.113 0.000 0.863 483 T HN 0.275 nan 8.240 nan 0.000 0.436 484 R N 0.429 120.950 120.500 0.034 0.000 2.073 484 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 484 R C 2.341 178.610 176.300 -0.052 0.000 1.134 484 R CA 1.276 57.365 56.100 -0.018 0.000 0.952 484 R CB -0.519 29.763 30.300 -0.031 0.000 0.850 484 R HN 0.230 nan 8.270 nan 0.000 0.433 485 V N 1.079 120.968 119.914 -0.042 0.000 2.295 485 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 485 V C 2.495 178.570 176.094 -0.031 0.000 1.049 485 V CA 2.003 64.264 62.300 -0.065 0.000 1.024 485 V CB -0.809 31.000 31.823 -0.023 0.000 0.648 485 V HN 0.578 nan 8.190 nan 0.000 0.447 486 A N -0.632 122.191 122.820 0.005 0.000 1.902 486 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 486 A C 2.569 180.166 177.584 0.022 0.000 1.181 486 A CA 2.190 54.243 52.037 0.027 0.000 0.623 486 A CB -0.812 18.215 19.000 0.045 0.000 0.818 486 A HN 0.496 nan 8.150 nan 0.000 0.443 487 S N -0.299 115.408 115.700 0.011 0.000 2.368 487 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 487 S C 2.150 176.752 174.600 0.002 0.000 1.030 487 S CA 1.653 59.859 58.200 0.010 0.000 0.999 487 S CB -0.468 62.732 63.200 0.001 0.000 0.844 487 S HN 0.822 nan 8.310 nan 0.000 0.459 488 A N 1.322 124.125 122.820 -0.028 0.000 1.930 488 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 488 A C 2.215 179.790 177.584 -0.015 0.000 1.175 488 A CA 1.321 53.332 52.037 -0.043 0.000 0.627 488 A CB -0.725 18.204 19.000 -0.118 0.000 0.815 488 A HN 0.582 nan 8.150 nan 0.000 0.443 489 L N -1.112 120.108 121.223 -0.003 0.000 2.046 489 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 489 L C 2.858 179.744 176.870 0.027 0.000 1.077 489 L CA 1.377 56.234 54.840 0.028 0.000 0.747 489 L CB -0.531 41.571 42.059 0.072 0.000 0.896 489 L HN 0.341 nan 8.230 nan 0.000 0.432 490 R N 0.278 120.802 120.500 0.040 0.000 2.073 490 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 490 R C 2.357 178.724 176.300 0.110 0.000 1.134 490 R CA 1.538 57.674 56.100 0.060 0.000 0.952 490 R CB -0.300 30.040 30.300 0.066 0.000 0.850 490 R HN 0.274 nan 8.270 nan 0.000 0.433 491 K N 0.995 121.455 120.400 0.100 0.000 2.063 491 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 491 K C 1.781 178.519 176.600 0.231 0.000 1.048 491 K CA 1.347 57.720 56.287 0.143 0.000 0.928 491 K CB -0.017 32.530 32.500 0.079 0.000 0.713 491 K HN 0.142 nan 8.250 nan 0.000 0.442 492 L N -0.441 120.852 121.223 0.116 0.000 2.558 492 L HA 0.156 4.496 4.340 -0.000 0.000 0.225 492 L C 0.827 177.594 176.870 -0.172 0.000 1.128 492 L CA 0.351 55.244 54.840 0.089 0.000 0.868 492 L CB 0.309 42.394 42.059 0.043 0.000 1.006 492 L HN 0.553 nan 8.230 nan 0.000 0.454 493 G N 0.870 109.405 108.800 -0.442 0.000 2.225 493 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 493 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 493 G C 0.203 174.850 174.900 -0.423 0.000 1.060 493 G CA 0.144 44.640 45.100 -1.007 0.000 0.833 493 G HN 0.473 nan 8.290 nan 0.000 0.498 494 A N -0.074 122.653 122.820 -0.156 0.000 2.293 494 A HA 0.889 5.209 4.320 -0.000 0.000 0.302 494 A C -1.547 176.070 177.584 0.056 0.000 1.119 494 A CA -1.412 50.640 52.037 0.025 0.000 0.823 494 A CB 0.820 19.914 19.000 0.156 0.000 1.097 494 A HN 0.200 nan 8.150 nan 0.000 0.491 495 P HA 0.220 nan 4.420 nan 0.000 0.269 495 P C -2.415 174.955 177.300 0.118 0.000 1.209 495 P CA -0.746 62.304 63.100 -0.083 0.000 0.776 495 P CB -0.000 31.404 31.700 -0.493 0.000 0.876 496 P HA 0.104 nan 4.420 nan 0.000 0.274 496 P C 0.823 178.290 177.300 0.277 0.000 1.256 496 P CA -0.155 63.041 63.100 0.159 0.000 0.795 496 P CB 0.808 32.557 31.700 0.082 0.000 1.038 497 L N 0.271 121.660 121.223 0.277 0.000 2.131 497 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 497 L C 2.885 179.920 176.870 0.275 0.000 1.092 497 L CA 1.827 56.856 54.840 0.315 0.000 0.759 497 L CB -0.795 41.359 42.059 0.159 0.000 0.903 497 L HN 0.460 nan 8.230 nan 0.000 0.435 498 R N -0.204 120.401 120.500 0.175 0.000 2.120 498 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 498 R C 1.885 178.251 176.300 0.109 0.000 1.123 498 R CA 1.473 57.658 56.100 0.141 0.000 0.975 498 R CB -0.989 29.366 30.300 0.092 0.000 0.866 498 R HN 0.088 nan 8.270 nan 0.000 0.446 499 V N 0.088 120.026 119.914 0.039 0.000 2.453 499 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 499 V C 1.859 177.893 176.094 -0.100 0.000 1.048 499 V CA 1.618 63.863 62.300 -0.092 0.000 1.049 499 V CB -0.663 31.022 31.823 -0.230 0.000 0.672 499 V HN 0.399 nan 8.190 nan 0.000 0.457 500 W N 0.547 121.911 121.300 0.107 0.000 2.363 500 W HA -0.163 4.497 4.660 -0.000 0.000 0.296 500 W C 2.576 179.262 176.519 0.279 0.000 1.212 500 W CA 1.661 59.108 57.345 0.169 0.000 1.260 500 W CB -0.111 29.442 29.460 0.155 0.000 1.131 500 W HN 0.119 nan 8.180 nan 0.000 0.530 501 K N 0.185 120.878 120.400 0.488 0.000 2.057 501 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 501 K C 2.099 178.820 176.600 0.202 0.000 1.050 501 K CA 1.909 58.478 56.287 0.469 0.000 0.935 501 K CB -0.317 32.425 32.500 0.404 0.000 0.715 501 K HN -0.087 nan 8.250 nan 0.000 0.439 502 S N 0.537 116.308 115.700 0.117 0.000 2.356 502 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 502 S C 1.887 176.485 174.600 -0.004 0.000 1.032 502 S CA 1.267 59.482 58.200 0.025 0.000 1.005 502 S CB -0.304 62.893 63.200 -0.006 0.000 0.867 502 S HN 0.353 nan 8.310 nan 0.000 0.449 503 R N 1.222 121.733 120.500 0.017 0.000 2.091 503 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 503 R C 2.373 178.670 176.300 -0.005 0.000 1.136 503 R CA 1.376 57.476 56.100 -0.001 0.000 0.959 503 R CB -0.478 29.817 30.300 -0.007 0.000 0.856 503 R HN 0.399 nan 8.270 nan 0.000 0.437 504 A N 0.828 123.687 122.820 0.065 0.000 1.933 504 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 504 A C 2.108 179.483 177.584 -0.349 0.000 1.175 504 A CA 1.358 53.317 52.037 -0.131 0.000 0.628 504 A CB -0.393 18.648 19.000 0.070 0.000 0.814 504 A HN 0.350 nan 8.150 nan 0.000 0.444 505 R N -0.620 119.747 120.500 -0.221 0.000 2.096 505 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 505 R C 2.360 178.540 176.300 -0.200 0.000 1.127 505 R CA 1.207 57.177 56.100 -0.216 0.000 0.968 505 R CB -0.351 29.869 30.300 -0.134 0.000 0.861 505 R HN 0.521 nan 8.270 nan 0.000 0.440 506 A N 0.328 123.047 122.820 -0.168 0.000 1.935 506 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 506 A C 2.278 179.753 177.584 -0.181 0.000 1.178 506 A CA 0.641 52.593 52.037 -0.142 0.000 0.640 506 A CB -0.225 18.715 19.000 -0.100 0.000 0.825 506 A HN 0.081 nan 8.150 nan 0.000 0.447 507 V N 0.401 120.164 119.914 -0.252 0.000 2.295 507 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 507 V C 2.673 178.523 176.094 -0.407 0.000 1.049 507 V CA 2.366 64.474 62.300 -0.319 0.000 1.024 507 V CB -0.761 30.813 31.823 -0.415 0.000 0.648 507 V HN 0.692 nan 8.190 nan 0.000 0.447 508 R N 0.232 120.399 120.500 -0.555 0.000 2.083 508 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 508 R C 2.291 178.468 176.300 -0.205 0.000 1.137 508 R CA 1.879 57.737 56.100 -0.404 0.000 0.951 508 R CB -0.512 29.577 30.300 -0.352 0.000 0.851 508 R HN 0.473 nan 8.270 nan 0.000 0.434 509 A N 0.145 122.858 122.820 -0.177 0.000 1.908 509 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 509 A C 2.212 179.742 177.584 -0.089 0.000 1.181 509 A CA 1.986 53.954 52.037 -0.114 0.000 0.627 509 A CB -0.504 18.435 19.000 -0.101 0.000 0.818 509 A HN 0.470 nan 8.150 nan 0.000 0.445 510 S N -0.284 115.358 115.700 -0.097 0.000 2.383 510 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 510 S C 1.814 176.391 174.600 -0.039 0.000 1.026 510 S CA 1.230 59.394 58.200 -0.060 0.000 0.981 510 S CB -0.394 62.772 63.200 -0.056 0.000 0.818 510 S HN 0.500 nan 8.310 nan 0.000 0.472 511 L N 0.962 122.152 121.223 -0.055 0.000 2.046 511 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 511 L C 2.204 179.064 176.870 -0.016 0.000 1.077 511 L CA 1.159 55.988 54.840 -0.019 0.000 0.747 511 L CB -0.497 41.536 42.059 -0.043 0.000 0.896 511 L HN 0.291 nan 8.230 nan 0.000 0.432 512 I N -0.348 120.199 120.570 -0.037 0.000 2.226 512 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 512 I C 2.679 178.786 176.117 -0.018 0.000 1.100 512 I CA 1.594 62.878 61.300 -0.027 0.000 1.374 512 I CB -0.290 37.686 38.000 -0.040 0.000 1.057 512 I HN 0.349 nan 8.210 nan 0.000 0.413 513 S N 0.645 116.331 115.700 -0.023 0.000 2.500 513 S HA -0.129 4.341 4.470 -0.000 0.000 0.239 513 S C 1.926 176.523 174.600 -0.005 0.000 0.989 513 S CA 0.688 58.879 58.200 -0.016 0.000 0.951 513 S CB -0.412 62.775 63.200 -0.021 0.000 0.759 513 S HN 0.420 nan 8.310 nan 0.000 0.523 514 R N 0.998 121.499 120.500 0.002 0.000 2.240 514 R HA 0.315 4.655 4.340 -0.000 0.000 0.203 514 R C 1.530 177.839 176.300 0.015 0.000 1.011 514 R CA 0.405 56.513 56.100 0.013 0.000 1.007 514 R CB -0.491 29.826 30.300 0.028 0.000 0.911 514 R HN 0.562 nan 8.270 nan 0.000 0.468 515 G N -0.074 108.732 108.800 0.010 0.000 2.697 515 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.240 515 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.240 515 G C 0.468 175.377 174.900 0.016 0.000 1.346 515 G CA -0.389 44.717 45.100 0.010 0.000 0.887 515 G HN 0.630 nan 8.290 nan 0.000 0.569 516 G N -0.917 107.890 108.800 0.013 0.000 2.582 516 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.288 516 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.288 516 G C 1.144 176.052 174.900 0.014 0.000 1.247 516 G CA 1.365 46.474 45.100 0.014 0.000 0.972 516 G HN 1.447 nan 8.290 nan 0.000 0.557 517 K N 0.493 120.906 120.400 0.022 0.000 2.097 517 K HA 0.091 4.411 4.320 -0.000 0.000 0.205 517 K C 3.103 179.728 176.600 0.043 0.000 1.050 517 K CA 1.545 57.846 56.287 0.024 0.000 0.938 517 K CB -0.388 32.136 32.500 0.040 0.000 0.718 517 K HN 0.658 nan 8.250 nan 0.000 0.442 518 A N 1.771 124.630 122.820 0.065 0.000 1.908 518 A HA -0.187 4.132 4.320 -0.000 0.000 0.218 518 A C 2.391 179.995 177.584 0.033 0.000 1.181 518 A CA 2.061 54.146 52.037 0.080 0.000 0.627 518 A CB -0.673 18.380 19.000 0.087 0.000 0.818 518 A HN 0.350 nan 8.150 nan 0.000 0.445 519 A N -0.779 122.054 122.820 0.020 0.000 1.969 519 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 519 A C 2.189 179.782 177.584 0.016 0.000 1.169 519 A CA 1.600 53.642 52.037 0.010 0.000 0.635 519 A CB -0.747 18.258 19.000 0.008 0.000 0.810 519 A HN 0.388 nan 8.150 nan 0.000 0.445 520 V N -0.862 119.056 119.914 0.008 0.000 2.358 520 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 520 V C 2.619 178.702 176.094 -0.018 0.000 1.047 520 V CA 1.955 64.252 62.300 -0.004 0.000 1.035 520 V CB -1.155 30.602 31.823 -0.110 0.000 0.658 520 V HN 0.707 nan 8.190 nan 0.000 0.452 521 C N 0.827 120.097 119.300 -0.051 0.000 2.413 521 C HA -0.086 4.374 4.460 -0.000 0.000 0.276 521 C C 2.968 177.905 174.990 -0.088 0.000 1.236 521 C CA 0.869 59.807 59.018 -0.133 0.000 1.735 521 C CB -1.706 25.903 27.740 -0.219 0.000 2.031 521 C HN 0.680 nan 8.230 nan 0.000 0.474 522 G N 0.126 108.918 108.800 -0.014 0.000 2.491 522 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 522 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 522 G C 1.793 176.730 174.900 0.061 0.000 1.180 522 G CA 0.737 45.875 45.100 0.063 0.000 0.774 522 G HN 0.588 nan 8.290 nan 0.000 0.562 523 R N -1.257 119.257 120.500 0.022 0.000 2.073 523 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 523 R C 2.406 178.616 176.300 -0.150 0.000 1.120 523 R CA 1.197 57.273 56.100 -0.040 0.000 0.967 523 R CB -0.323 29.971 30.300 -0.010 0.000 0.862 523 R HN 0.465 nan 8.270 nan 0.000 0.436 524 Y N 0.421 120.546 120.300 -0.292 0.000 2.231 524 Y HA 0.005 4.555 4.550 -0.000 0.000 0.294 524 Y C 2.079 177.689 175.900 -0.484 0.000 1.120 524 Y CA 0.840 58.607 58.100 -0.555 0.000 1.141 524 Y CB -0.201 37.704 38.460 -0.924 0.000 1.022 524 Y HN -0.086 nan 8.280 nan 0.000 0.523 525 L N -1.850 119.226 121.223 -0.245 0.000 2.291 525 L HA -0.102 4.238 4.340 -0.000 0.000 0.214 525 L C 0.570 177.148 176.870 -0.487 0.000 1.120 525 L CA 1.119 55.760 54.840 -0.331 0.000 0.799 525 L CB -0.303 41.407 42.059 -0.581 0.000 0.925 525 L HN 0.157 nan 8.230 nan 0.000 0.446 526 F N -1.670 118.211 119.950 -0.115 0.000 2.764 526 F HA 0.190 4.717 4.527 -0.000 0.000 0.310 526 F C 1.568 177.025 175.800 -0.571 0.000 1.124 526 F CA -0.416 57.297 58.000 -0.478 0.000 1.252 526 F CB -0.426 38.309 39.000 -0.442 0.000 1.010 526 F HN -0.090 nan 8.300 nan 0.000 0.518 527 N N 1.086 119.684 118.700 -0.170 0.000 2.364 527 N HA -0.191 4.549 4.740 -0.000 0.000 0.183 527 N C 1.950 177.425 175.510 -0.059 0.000 1.022 527 N CA 1.570 54.547 53.050 -0.122 0.000 0.883 527 N CB -0.171 38.260 38.487 -0.094 0.000 0.965 527 N HN 0.535 nan 8.380 nan 0.000 0.438 528 W N -0.745 120.591 121.300 0.060 0.000 2.525 528 W HA 0.160 4.820 4.660 0.000 0.000 0.259 528 W C 1.230 177.803 176.519 0.089 0.000 1.253 528 W CA 0.632 58.021 57.345 0.073 0.000 1.262 528 W CB -0.731 28.784 29.460 0.092 0.000 1.122 528 W HN 0.054 nan 8.180 nan 0.000 0.607 529 A N 1.514 123.990 122.820 -0.573 0.000 2.081 529 A HA 0.193 4.513 4.320 -0.000 0.000 0.214 529 A C 1.115 178.576 177.584 -0.205 0.000 1.158 529 A CA 0.941 52.639 52.037 -0.565 0.000 0.724 529 A CB -0.806 17.558 19.000 -1.061 0.000 0.826 529 A HN 0.107 nan 8.150 nan 0.000 0.463 530 V N -2.356 117.458 119.914 -0.166 0.000 2.716 530 V HA 0.386 4.506 4.120 -0.000 0.000 0.304 530 V C 1.121 177.190 176.094 -0.043 0.000 1.053 530 V CA -0.321 61.920 62.300 -0.098 0.000 0.984 530 V CB 1.491 33.249 31.823 -0.108 0.000 1.021 530 V HN 0.409 nan 8.190 nan 0.000 0.467 531 K N 1.842 122.223 120.400 -0.033 0.000 1.984 531 K HA -0.037 4.283 4.320 -0.000 0.000 0.209 531 K C 0.833 177.417 176.600 -0.027 0.000 1.046 531 K CA 1.653 57.929 56.287 -0.018 0.000 0.934 531 K CB -0.232 32.258 32.500 -0.016 0.000 0.717 531 K HN 0.804 nan 8.250 nan 0.000 0.438 532 T N 3.511 118.043 114.554 -0.036 0.000 2.782 532 T HA 0.146 4.496 4.350 -0.000 0.000 0.298 532 T C -0.639 174.030 174.700 -0.052 0.000 0.944 532 T CA -0.343 61.733 62.100 -0.040 0.000 1.001 532 T CB 0.837 69.682 68.868 -0.038 0.000 0.932 532 T HN 0.104 nan 8.240 nan 0.000 0.524 533 K N 3.398 123.767 120.400 -0.052 0.000 2.326 533 K HA 0.287 4.607 4.320 -0.000 0.000 0.275 533 K C 0.286 176.842 176.600 -0.074 0.000 1.018 533 K CA -0.324 55.925 56.287 -0.063 0.000 0.962 533 K CB 1.136 33.603 32.500 -0.055 0.000 0.953 533 K HN 0.512 nan 8.250 nan 0.000 0.475 534 L N 2.002 123.166 121.223 -0.099 0.000 2.395 534 L HA 0.206 4.546 4.340 -0.000 0.000 0.269 534 L C 0.932 177.727 176.870 -0.125 0.000 1.133 534 L CA -0.408 54.363 54.840 -0.114 0.000 0.812 534 L CB 0.426 42.396 42.059 -0.148 0.000 1.125 534 L HN 0.409 nan 8.230 nan 0.000 0.452 535 K N 3.734 124.072 120.400 -0.104 0.000 2.310 535 K HA 0.324 4.644 4.320 -0.000 0.000 0.290 535 K C -0.979 175.540 176.600 -0.135 0.000 1.077 535 K CA -0.382 55.850 56.287 -0.091 0.000 0.922 535 K CB 0.301 32.769 32.500 -0.053 0.000 1.057 535 K HN 0.489 nan 8.250 nan 0.000 0.479 536 L N 4.766 125.885 121.223 -0.174 0.000 2.265 536 L HA 0.226 4.566 4.340 -0.000 0.000 0.288 536 L C 0.618 177.466 176.870 -0.036 0.000 1.058 536 L CA -0.609 54.059 54.840 -0.288 0.000 0.809 536 L CB 1.263 43.023 42.059 -0.498 0.000 1.179 536 L HN 0.693 nan 8.230 nan 0.000 0.429 537 T N 0.618 115.214 114.554 0.071 0.000 2.943 537 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 537 T C -2.570 172.263 174.700 0.222 0.000 1.015 537 T CA -2.299 59.878 62.100 0.128 0.000 1.042 537 T CB 1.362 70.282 68.868 0.088 0.000 1.055 537 T HN 0.258 nan 8.240 nan 0.000 0.500 538 P HA 0.095 nan 4.420 nan 0.000 0.261 538 P C -0.520 176.837 177.300 0.096 0.000 1.173 538 P CA -0.070 63.112 63.100 0.137 0.000 0.760 538 P CB 0.239 31.989 31.700 0.083 0.000 0.783 539 L N 6.672 127.925 121.223 0.050 0.000 2.313 539 L HA 0.142 4.482 4.340 -0.000 0.000 0.282 539 L C -1.010 175.846 176.870 -0.024 0.000 1.092 539 L CA -1.645 53.169 54.840 -0.043 0.000 0.831 539 L CB 0.509 42.470 42.059 -0.163 0.000 1.159 539 L HN 0.255 nan 8.230 nan 0.000 0.442 540 P HA -0.197 nan 4.420 nan 0.000 0.216 540 P C 0.864 178.145 177.300 -0.031 0.000 1.150 540 P CA 1.171 64.260 63.100 -0.019 0.000 0.843 540 P CB 0.273 31.962 31.700 -0.017 0.000 0.787 541 E N -0.233 119.940 120.200 -0.046 0.000 2.204 541 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 541 E C 2.076 178.643 176.600 -0.055 0.000 0.989 541 E CA 1.203 57.572 56.400 -0.052 0.000 0.824 541 E CB -1.097 28.567 29.700 -0.060 0.000 0.756 541 E HN 0.194 nan 8.360 nan 0.000 0.477 542 A N 1.226 124.017 122.820 -0.048 0.000 1.933 542 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 542 A C 2.092 179.647 177.584 -0.048 0.000 1.175 542 A CA 1.330 53.341 52.037 -0.044 0.000 0.628 542 A CB -0.294 18.699 19.000 -0.011 0.000 0.814 542 A HN 0.059 nan 8.150 nan 0.000 0.444 543 R N -1.242 119.237 120.500 -0.036 0.000 2.148 543 R HA -0.011 4.329 4.340 -0.000 0.000 0.223 543 R C 1.610 177.883 176.300 -0.044 0.000 1.088 543 R CA 0.805 56.885 56.100 -0.034 0.000 0.985 543 R CB -0.316 29.972 30.300 -0.020 0.000 0.880 543 R HN 0.418 nan 8.270 nan 0.000 0.451 544 L N 0.735 121.929 121.223 -0.049 0.000 2.201 544 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 544 L C 0.822 177.647 176.870 -0.076 0.000 1.105 544 L CA 1.205 56.013 54.840 -0.053 0.000 0.775 544 L CB -0.422 41.608 42.059 -0.049 0.000 0.913 544 L HN 0.051 nan 8.230 nan 0.000 0.440 545 L N 0.127 121.290 121.223 -0.101 0.000 2.331 545 L HA 0.155 4.495 4.340 -0.000 0.000 0.278 545 L C -0.157 176.620 176.870 -0.155 0.000 1.106 545 L CA -0.244 54.503 54.840 -0.155 0.000 0.824 545 L CB 0.493 42.430 42.059 -0.204 0.000 1.142 545 L HN -0.044 nan 8.230 nan 0.000 0.443 546 D N 3.618 123.914 120.400 -0.173 0.000 2.472 546 D HA 0.255 4.895 4.640 -0.000 0.000 0.234 546 D C 0.007 176.174 176.300 -0.221 0.000 1.088 546 D CA -0.330 53.581 54.000 -0.148 0.000 0.882 546 D CB 1.201 41.948 40.800 -0.088 0.000 1.037 546 D HN 0.196 nan 8.370 nan 0.000 0.520 547 L N 2.655 123.738 121.223 -0.232 0.000 2.728 547 L HA 0.117 4.457 4.340 -0.000 0.000 0.238 547 L C 2.123 178.984 176.870 -0.014 0.000 1.143 547 L CA 0.313 54.986 54.840 -0.278 0.000 0.937 547 L CB -0.443 41.377 42.059 -0.397 0.000 1.225 547 L HN 0.432 nan 8.230 nan 0.000 0.507 548 S N -1.499 114.198 115.700 -0.004 0.000 2.474 548 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 548 S C 1.440 176.098 174.600 0.096 0.000 0.997 548 S CA 0.985 59.215 58.200 0.051 0.000 0.949 548 S CB -0.223 62.990 63.200 0.022 0.000 0.766 548 S HN 0.444 nan 8.310 nan 0.000 0.517 549 S N -1.712 114.045 115.700 0.095 0.000 2.843 549 S HA 0.262 4.732 4.470 -0.000 0.000 0.249 549 S C 0.496 175.171 174.600 0.125 0.000 1.047 549 S CA -0.615 57.650 58.200 0.108 0.000 1.042 549 S CB -0.670 62.566 63.200 0.060 0.000 0.936 549 S HN 0.526 nan 8.310 nan 0.000 0.531 550 W N 1.884 123.111 121.300 -0.122 0.000 2.392 550 W HA 0.141 4.801 4.660 -0.000 0.000 0.279 550 W C 0.809 177.051 176.519 -0.461 0.000 1.225 550 W CA 0.402 57.547 57.345 -0.332 0.000 1.233 550 W CB -0.555 28.614 29.460 -0.485 0.000 1.122 550 W HN 0.484 nan 8.180 nan 0.000 0.561 551 F N -1.396 118.535 119.950 -0.033 0.000 2.262 551 F HA -0.052 4.475 4.527 0.000 0.000 0.292 551 F C 2.787 178.560 175.800 -0.044 0.000 1.081 551 F CA 1.768 59.671 58.000 -0.163 0.000 1.355 551 F CB -1.369 37.491 39.000 -0.232 0.000 1.069 551 F HN -0.252 nan 8.300 nan 0.000 0.506 552 T N 0.016 114.658 114.554 0.148 0.000 2.833 552 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 552 T C 2.112 176.842 174.700 0.050 0.000 1.054 552 T CA 1.671 63.843 62.100 0.119 0.000 1.135 552 T CB -0.784 68.155 68.868 0.118 0.000 0.869 552 T HN 0.132 nan 8.240 nan 0.000 0.466 553 V N 0.024 119.919 119.914 -0.031 0.000 2.688 553 V HA 0.159 4.279 4.120 -0.000 0.000 0.256 553 V C 2.677 178.771 176.094 0.000 0.000 1.084 553 V CA 1.782 64.040 62.300 -0.071 0.000 1.103 553 V CB -1.718 29.876 31.823 -0.381 0.000 0.688 553 V HN 0.519 nan 8.190 nan 0.000 0.480 554 G N -0.278 108.477 108.800 -0.076 0.000 2.421 554 G HA2 0.179 4.139 3.960 -0.000 0.000 0.217 554 G HA3 0.179 4.139 3.960 -0.000 0.000 0.217 554 G C 1.352 176.245 174.900 -0.012 0.000 1.143 554 G CA 0.787 45.856 45.100 -0.052 0.000 0.784 554 G HN 1.744 nan 8.290 nan 0.000 0.541 555 A N -1.234 121.590 122.820 0.006 0.000 2.847 555 A HA 0.094 4.414 4.320 -0.000 0.000 0.263 555 A C 2.073 179.504 177.584 -0.254 0.000 1.391 555 A CA 1.602 53.629 52.037 -0.017 0.000 0.866 555 A CB -1.895 17.096 19.000 -0.014 0.000 1.057 555 A HN 2.280 nan 8.150 nan 0.000 0.673 556 G N -2.085 106.388 108.800 -0.545 0.000 2.337 556 G HA2 0.042 4.002 3.960 -0.000 0.000 0.290 556 G HA3 0.042 4.002 3.960 -0.000 0.000 0.290 556 G C 1.411 176.016 174.900 -0.491 0.000 1.003 556 G CA 1.278 45.744 45.100 -1.057 0.000 0.825 556 G HN 2.416 nan 8.290 nan 0.000 0.509 557 G N -1.599 107.062 108.800 -0.231 0.000 3.899 557 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 557 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 557 G C 1.320 176.182 174.900 -0.063 0.000 1.054 557 G CA 1.324 46.351 45.100 -0.121 0.000 0.846 557 G HN 1.750 nan 8.290 nan 0.000 0.525 558 G N 1.074 109.831 108.800 -0.071 0.000 4.163 558 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.300 558 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.300 558 G C 0.577 175.439 174.900 -0.063 0.000 1.488 558 G CA 0.376 45.446 45.100 -0.050 0.000 1.052 558 G HN 0.439 nan 8.290 nan 0.000 0.687 559 D N 1.962 122.333 120.400 -0.048 0.000 3.008 559 D HA 0.429 5.069 4.640 -0.000 0.000 0.242 559 D C 0.139 176.392 176.300 -0.078 0.000 1.222 559 D CA 0.004 53.967 54.000 -0.061 0.000 0.883 559 D CB -0.470 40.306 40.800 -0.040 0.000 1.110 559 D HN 0.309 nan 8.370 nan 0.000 0.455 560 I N 1.360 121.869 120.570 -0.102 0.000 2.498 560 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 560 I C -0.808 175.185 176.117 -0.207 0.000 1.032 560 I CA -0.964 60.245 61.300 -0.152 0.000 1.073 560 I CB 1.417 39.363 38.000 -0.090 0.000 1.251 560 I HN -0.074 nan 8.210 nan 0.000 0.426 561 F N 6.228 125.872 119.950 -0.510 0.000 2.529 561 F HA 0.576 5.102 4.527 -0.000 0.000 0.320 561 F C -0.864 174.445 175.800 -0.818 0.000 1.118 561 F CA -0.179 57.483 58.000 -0.564 0.000 0.915 561 F CB 1.198 39.966 39.000 -0.388 0.000 1.161 561 F HN 0.397 nan 8.300 nan 0.000 0.445 562 H N 3.156 121.440 119.070 -1.310 0.000 2.806 562 H HA 0.392 4.948 4.556 -0.000 0.000 0.367 562 H C -0.692 174.129 175.328 -0.845 0.000 1.136 562 H CA -0.772 54.723 56.048 -0.923 0.000 1.178 562 H CB 2.301 31.734 29.762 -0.548 0.000 1.718 562 H HN 0.544 nan 8.280 nan 0.000 0.540 563 S N 0.581 116.103 115.700 -0.296 0.000 2.686 563 S HA 0.229 4.699 4.470 -0.000 0.000 0.270 563 S C 0.340 175.100 174.600 0.267 0.000 1.194 563 S CA -0.798 57.381 58.200 -0.035 0.000 0.990 563 S CB 1.182 64.381 63.200 -0.000 0.000 1.029 563 S HN 0.273 nan 8.310 nan 0.000 0.560 564 V N 2.716 122.746 119.914 0.193 0.000 2.521 564 V HA 0.102 4.222 4.120 -0.000 0.000 0.286 564 V C 0.241 176.285 176.094 -0.083 0.000 1.034 564 V CA -0.226 62.071 62.300 -0.006 0.000 1.045 564 V CB 0.390 32.165 31.823 -0.080 0.000 0.974 564 V HN 0.891 nan 8.190 nan 0.000 0.480 565 S N 5.199 120.776 115.700 -0.205 0.000 2.405 565 S HA 0.507 4.977 4.470 -0.000 0.000 0.291 565 S C -0.270 174.237 174.600 -0.156 0.000 1.137 565 S CA -0.597 57.523 58.200 -0.133 0.000 1.061 565 S CB 1.046 64.183 63.200 -0.105 0.000 1.001 565 S HN 0.406 nan 8.310 nan 0.000 0.507 566 V N 0.000 119.858 119.914 -0.093 0.000 2.409 566 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 566 V CA 0.000 62.251 62.300 -0.081 0.000 1.235 566 V CB 0.000 31.789 31.823 -0.057 0.000 1.184 566 V HN 0.000 nan 8.190 nan 0.000 0.556