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 2eil_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.828 175.800 0.046 0.000 0.967 2 F CA 0.000 58.059 58.000 0.099 0.000 1.383 2 F CB 0.000 39.064 39.000 0.106 0.000 1.145 3 I N 1.353 121.995 120.570 0.120 0.000 2.252 3 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 3 I C 1.568 177.370 176.117 -0.524 0.000 1.102 3 I CA 1.770 62.953 61.300 -0.194 0.000 1.385 3 I CB -0.474 37.357 38.000 -0.282 0.000 1.064 3 I HN 0.265 nan 8.210 nan 0.000 0.414 4 N N 0.635 119.099 118.700 -0.394 0.000 2.149 4 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 4 N C 1.884 177.239 175.510 -0.258 0.000 1.019 4 N CA 1.188 54.072 53.050 -0.276 0.000 0.857 4 N CB -0.267 38.157 38.487 -0.105 0.000 0.997 4 N HN 0.240 nan 8.380 nan 0.000 0.426 5 R N -1.022 119.232 120.500 -0.410 0.000 2.062 5 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 5 R C 1.114 176.832 176.300 -0.971 0.000 1.125 5 R CA 1.199 56.870 56.100 -0.715 0.000 0.966 5 R CB -0.112 29.630 30.300 -0.929 0.000 0.861 5 R HN 0.301 nan 8.270 nan 0.000 0.433 6 W N -0.927 120.187 121.300 -0.310 0.000 3.114 6 W HA 0.174 4.834 4.660 -0.000 0.000 0.279 6 W C 1.107 177.675 176.519 0.082 0.000 1.277 6 W CA -0.507 56.697 57.345 -0.234 0.000 1.630 6 W CB 0.420 29.553 29.460 -0.545 0.000 1.087 6 W HN 0.093 nan 8.180 nan 0.000 0.637 7 L N -1.946 119.333 121.223 0.092 0.000 2.577 7 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 7 L C 0.788 177.893 176.870 0.392 0.000 1.053 7 L CA 0.864 55.788 54.840 0.139 0.000 0.866 7 L CB -0.297 41.597 42.059 -0.276 0.000 1.132 7 L HN -0.182 nan 8.230 nan 0.000 0.486 8 F N -1.099 118.862 119.950 0.019 0.000 2.708 8 F HA 0.400 4.927 4.527 -0.000 0.000 0.300 8 F C 1.233 177.025 175.800 -0.013 0.000 1.118 8 F CA -1.113 56.886 58.000 -0.002 0.000 1.307 8 F CB -0.971 38.005 39.000 -0.040 0.000 0.986 8 F HN -0.192 nan 8.300 nan 0.000 0.522 9 S N 1.047 116.835 115.700 0.146 0.000 2.563 9 S HA 0.177 4.647 4.470 -0.000 0.000 0.284 9 S C 1.069 175.682 174.600 0.021 0.000 1.331 9 S CA 0.823 59.019 58.200 -0.007 0.000 1.047 9 S CB 0.351 63.467 63.200 -0.140 0.000 0.859 9 S HN 0.488 nan 8.310 nan 0.000 0.514 10 T N 1.099 115.639 114.554 -0.023 0.000 3.541 10 T HA 0.300 4.650 4.350 -0.000 0.000 0.309 10 T C -0.369 174.275 174.700 -0.094 0.000 0.973 10 T CA -0.728 61.359 62.100 -0.020 0.000 0.993 10 T CB -0.495 68.386 68.868 0.022 0.000 1.206 10 T HN 0.541 nan 8.240 nan 0.000 0.489 11 N N 1.404 119.974 118.700 -0.217 0.000 2.372 11 N HA 0.171 4.911 4.740 -0.000 0.000 0.285 11 N C 0.997 176.254 175.510 -0.422 0.000 1.008 11 N CA -0.287 52.503 53.050 -0.433 0.000 0.880 11 N CB 1.606 39.566 38.487 -0.879 0.000 1.239 11 N HN 0.576 nan 8.380 nan 0.000 0.484 12 H N 3.302 122.125 119.070 -0.412 0.000 2.421 12 H HA -0.003 4.553 4.556 -0.000 0.000 0.298 12 H C 0.977 175.948 175.328 -0.594 0.000 1.087 12 H CA 1.459 57.273 56.048 -0.390 0.000 1.330 12 H CB 0.347 29.928 29.762 -0.301 0.000 1.388 12 H HN 0.499 nan 8.280 nan 0.000 0.526 13 K N 0.279 119.755 120.400 -1.540 0.000 2.031 13 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 13 K C 1.649 177.501 176.600 -1.248 0.000 1.049 13 K CA 1.289 56.418 56.287 -1.930 0.000 0.939 13 K CB 0.057 31.400 32.500 -1.929 0.000 0.717 13 K HN 0.278 nan 8.250 nan 0.000 0.438 14 D N 1.228 121.157 120.400 -0.784 0.000 2.117 14 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 14 D C 1.904 178.033 176.300 -0.285 0.000 0.987 14 D CA 1.007 54.767 54.000 -0.401 0.000 0.829 14 D CB -0.177 40.264 40.800 -0.599 0.000 0.961 14 D HN 0.147 nan 8.370 nan 0.000 0.460 15 I N 0.707 121.058 120.570 -0.365 0.000 2.252 15 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 15 I C 2.495 178.515 176.117 -0.162 0.000 1.102 15 I CA 1.226 62.354 61.300 -0.288 0.000 1.385 15 I CB -0.423 37.481 38.000 -0.159 0.000 1.064 15 I HN 0.019 nan 8.210 nan 0.000 0.414 16 G N 0.121 108.794 108.800 -0.212 0.000 2.432 16 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 16 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 16 G C 1.652 176.585 174.900 0.054 0.000 1.135 16 G CA 1.378 46.446 45.100 -0.052 0.000 0.767 16 G HN 0.282 nan 8.290 nan 0.000 0.550 17 T N 1.255 115.800 114.554 -0.015 0.000 2.777 17 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 17 T C 2.435 177.121 174.700 -0.023 0.000 1.040 17 T CA 0.761 62.939 62.100 0.129 0.000 1.141 17 T CB -0.184 68.810 68.868 0.211 0.000 0.868 17 T HN 0.159 nan 8.240 nan 0.000 0.444 18 L N -0.434 120.644 121.223 -0.242 0.000 2.042 18 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 18 L C 2.389 178.982 176.870 -0.463 0.000 1.076 18 L CA 1.531 55.994 54.840 -0.629 0.000 0.749 18 L CB -0.624 40.548 42.059 -1.479 0.000 0.893 18 L HN 0.253 nan 8.230 nan 0.000 0.432 19 Y N -0.075 120.042 120.300 -0.306 0.000 2.181 19 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 19 Y C 2.417 178.442 175.900 0.208 0.000 1.146 19 Y CA 1.356 59.532 58.100 0.127 0.000 1.164 19 Y CB -0.365 38.163 38.460 0.114 0.000 0.982 19 Y HN 0.050 nan 8.280 nan 0.000 0.515 20 L N -0.991 120.384 121.223 0.254 0.000 2.046 20 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 20 L C 2.230 179.235 176.870 0.225 0.000 1.077 20 L CA 1.124 56.077 54.840 0.189 0.000 0.747 20 L CB -0.663 41.467 42.059 0.118 0.000 0.896 20 L HN 0.263 nan 8.230 nan 0.000 0.432 21 L N -1.385 119.961 121.223 0.205 0.000 2.027 21 L HA -0.239 4.101 4.340 -0.000 0.000 0.206 21 L C 2.556 179.604 176.870 0.296 0.000 1.074 21 L CA 1.307 56.269 54.840 0.203 0.000 0.745 21 L CB -0.561 41.564 42.059 0.109 0.000 0.898 21 L HN 0.154 nan 8.230 nan 0.000 0.433 22 F N 0.933 121.027 119.950 0.240 0.000 2.095 22 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 22 F C 2.232 178.262 175.800 0.382 0.000 1.104 22 F CA 1.750 59.950 58.000 0.333 0.000 1.232 22 F CB -0.572 38.676 39.000 0.412 0.000 0.987 22 F HN -0.009 nan 8.300 nan 0.000 0.475 23 G N -0.485 108.605 108.800 0.483 0.000 2.422 23 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 23 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 23 G C 1.780 176.790 174.900 0.183 0.000 1.146 23 G CA 0.733 46.035 45.100 0.337 0.000 0.769 23 G HN 0.626 nan 8.290 nan 0.000 0.547 24 A N -0.013 122.908 122.820 0.168 0.000 1.877 24 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 24 A C 2.150 179.798 177.584 0.106 0.000 1.186 24 A CA 1.557 53.649 52.037 0.092 0.000 0.620 24 A CB -0.747 18.305 19.000 0.086 0.000 0.822 24 A HN 0.516 nan 8.150 nan 0.000 0.443 25 W N 0.529 121.822 121.300 -0.011 0.000 2.355 25 W HA -0.122 4.538 4.660 -0.000 0.000 0.309 25 W C 2.547 179.062 176.519 -0.007 0.000 1.206 25 W CA 2.285 59.611 57.345 -0.032 0.000 1.284 25 W CB -0.213 29.200 29.460 -0.077 0.000 1.145 25 W HN 0.362 nan 8.180 nan 0.000 0.502 26 A N 0.363 123.277 122.820 0.157 0.000 1.940 26 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 26 A C 2.211 179.823 177.584 0.046 0.000 1.176 26 A CA 2.032 54.159 52.037 0.150 0.000 0.631 26 A CB -1.684 17.365 19.000 0.080 0.000 0.814 26 A HN 0.411 nan 8.150 nan 0.000 0.446 27 G N -0.881 107.936 108.800 0.029 0.000 2.442 27 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 27 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 27 G C 1.464 176.343 174.900 -0.036 0.000 1.141 27 G CA 1.334 46.443 45.100 0.014 0.000 0.763 27 G HN 0.355 nan 8.290 nan 0.000 0.554 28 M N 0.493 120.018 119.600 -0.125 0.000 2.132 28 M HA -0.001 4.479 4.480 -0.000 0.000 0.263 28 M C 2.784 178.969 176.300 -0.192 0.000 1.065 28 M CA 0.696 55.886 55.300 -0.183 0.000 1.122 28 M CB -1.280 31.140 32.600 -0.299 0.000 1.365 28 M HN 0.117 nan 8.290 nan 0.000 0.411 29 V N 0.341 120.102 119.914 -0.254 0.000 2.295 29 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 29 V C 2.646 178.752 176.094 0.021 0.000 1.049 29 V CA 2.099 64.310 62.300 -0.148 0.000 1.024 29 V CB -1.805 29.985 31.823 -0.054 0.000 0.648 29 V HN 0.566 nan 8.190 nan 0.000 0.447 30 G N -0.656 108.186 108.800 0.071 0.000 2.422 30 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 30 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 30 G C 1.666 176.675 174.900 0.182 0.000 1.140 30 G CA 1.410 46.606 45.100 0.160 0.000 0.775 30 G HN 0.485 nan 8.290 nan 0.000 0.545 31 T N 1.601 116.199 114.554 0.073 0.000 2.777 31 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 31 T C 2.851 177.540 174.700 -0.018 0.000 1.040 31 T CA 1.304 63.426 62.100 0.036 0.000 1.141 31 T CB -0.337 68.526 68.868 -0.007 0.000 0.868 31 T HN 0.347 nan 8.240 nan 0.000 0.444 32 A N 1.492 124.290 122.820 -0.037 0.000 1.883 32 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 32 A C 2.301 179.865 177.584 -0.034 0.000 1.186 32 A CA 1.358 53.362 52.037 -0.056 0.000 0.624 32 A CB -0.972 17.990 19.000 -0.064 0.000 0.822 32 A HN 0.472 nan 8.150 nan 0.000 0.444 33 L N 0.374 121.606 121.223 0.014 0.000 2.046 33 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 33 L C 3.040 179.848 176.870 -0.103 0.000 1.077 33 L CA 1.692 56.543 54.840 0.018 0.000 0.747 33 L CB -0.538 41.602 42.059 0.136 0.000 0.896 33 L HN 0.630 nan 8.230 nan 0.000 0.432 34 S N -0.119 115.483 115.700 -0.163 0.000 2.402 34 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 34 S C 1.950 176.446 174.600 -0.173 0.000 1.021 34 S CA 0.864 58.862 58.200 -0.337 0.000 0.974 34 S CB -0.555 62.523 63.200 -0.203 0.000 0.800 34 S HN 0.370 nan 8.310 nan 0.000 0.484 35 L N 0.417 121.561 121.223 -0.133 0.000 2.109 35 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 35 L C 2.595 179.434 176.870 -0.051 0.000 1.086 35 L CA 0.860 55.613 54.840 -0.145 0.000 0.760 35 L CB -0.479 41.440 42.059 -0.234 0.000 0.910 35 L HN 0.307 nan 8.230 nan 0.000 0.437 36 L N -0.491 120.713 121.223 -0.031 0.000 2.083 36 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 36 L C 2.413 179.331 176.870 0.080 0.000 1.083 36 L CA 1.258 56.116 54.840 0.031 0.000 0.752 36 L CB -0.315 41.758 42.059 0.024 0.000 0.899 36 L HN 0.220 nan 8.230 nan 0.000 0.433 37 I N -0.804 119.781 120.570 0.025 0.000 2.142 37 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 37 I C 2.628 178.865 176.117 0.200 0.000 1.078 37 I CA 1.134 62.502 61.300 0.112 0.000 1.343 37 I CB -0.349 37.633 38.000 -0.030 0.000 1.046 37 I HN 0.216 nan 8.210 nan 0.000 0.405 38 R N 0.826 121.384 120.500 0.096 0.000 2.189 38 R HA -0.007 4.333 4.340 -0.000 0.000 0.218 38 R C 2.259 178.657 176.300 0.163 0.000 1.074 38 R CA 1.196 57.362 56.100 0.110 0.000 0.991 38 R CB -0.471 29.858 30.300 0.048 0.000 0.883 38 R HN 0.372 nan 8.270 nan 0.000 0.457 39 A N 1.271 124.196 122.820 0.175 0.000 1.898 39 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 39 A C 2.111 179.787 177.584 0.154 0.000 1.181 39 A CA 1.549 53.701 52.037 0.191 0.000 0.620 39 A CB -0.300 18.805 19.000 0.176 0.000 0.819 39 A HN 0.240 nan 8.150 nan 0.000 0.442 40 E N 0.350 120.656 120.200 0.176 0.000 2.077 40 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 40 E C 1.578 178.254 176.600 0.127 0.000 0.989 40 E CA 1.373 57.864 56.400 0.153 0.000 0.800 40 E CB -0.366 29.482 29.700 0.246 0.000 0.746 40 E HN 0.584 nan 8.360 nan 0.000 0.452 41 L N -0.630 120.706 121.223 0.189 0.000 2.591 41 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 41 L C 2.175 179.186 176.870 0.236 0.000 1.133 41 L CA 0.334 55.330 54.840 0.260 0.000 0.880 41 L CB -0.177 42.009 42.059 0.212 0.000 1.033 41 L HN 0.247 nan 8.230 nan 0.000 0.450 42 G N 0.696 109.589 108.800 0.154 0.000 2.462 42 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 42 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 42 G C 0.595 175.557 174.900 0.104 0.000 1.121 42 G CA 0.475 45.640 45.100 0.108 0.000 0.758 42 G HN 0.550 nan 8.290 nan 0.000 0.559 43 Q N -0.967 118.902 119.800 0.115 0.000 2.391 43 Q HA 0.529 4.869 4.340 -0.000 0.000 0.279 43 Q C -3.309 172.700 176.000 0.014 0.000 1.028 43 Q CA -2.095 53.758 55.803 0.083 0.000 0.836 43 Q CB 1.845 30.596 28.738 0.022 0.000 1.414 43 Q HN -0.109 nan 8.270 nan 0.000 0.397 44 P HA 0.376 nan 4.420 nan 0.000 0.268 44 P C -0.024 177.153 177.300 -0.205 0.000 1.208 44 P CA 1.450 64.374 63.100 -0.294 0.000 0.777 44 P CB 0.501 32.096 31.700 -0.174 0.000 0.875 45 G N 0.356 109.002 108.800 -0.255 0.000 2.525 45 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.685 45 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.685 45 G C -1.074 173.738 174.900 -0.147 0.000 1.290 45 G CA -0.867 44.138 45.100 -0.158 0.000 0.915 45 G HN 0.540 nan 8.290 nan 0.000 0.548 46 T N 0.878 115.372 114.554 -0.099 0.000 2.767 46 T HA 0.499 4.849 4.350 -0.000 0.000 0.284 46 T C 1.274 175.954 174.700 -0.035 0.000 0.973 46 T CA 0.412 62.467 62.100 -0.075 0.000 0.996 46 T CB 1.563 70.394 68.868 -0.063 0.000 0.927 46 T HN 0.985 nan 8.240 nan 0.000 0.456 47 L N 4.555 125.772 121.223 -0.011 0.000 2.276 47 L HA 0.403 4.743 4.340 -0.000 0.000 0.194 47 L C 1.765 178.657 176.870 0.037 0.000 1.099 47 L CA 1.077 55.929 54.840 0.019 0.000 0.800 47 L CB -0.311 41.773 42.059 0.042 0.000 0.994 47 L HN 0.620 nan 8.230 nan 0.000 0.475 48 L N -0.690 120.570 121.223 0.063 0.000 2.102 48 L HA 0.377 4.717 4.340 -0.000 0.000 0.202 48 L C 1.245 178.153 176.870 0.064 0.000 1.076 48 L CA 0.588 55.475 54.840 0.078 0.000 0.761 48 L CB -0.675 41.459 42.059 0.125 0.000 0.921 48 L HN 0.529 nan 8.230 nan 0.000 0.444 49 G N -0.786 108.049 108.800 0.058 0.000 2.399 49 G HA2 0.083 4.043 3.960 -0.000 0.000 0.256 49 G HA3 0.083 4.043 3.960 -0.000 0.000 0.256 49 G C -1.849 173.072 174.900 0.034 0.000 1.236 49 G CA -0.103 45.023 45.100 0.043 0.000 0.914 49 G HN 0.145 nan 8.290 nan 0.000 0.482 50 D N -0.293 120.128 120.400 0.035 0.000 2.398 50 D HA 0.276 4.916 4.640 -0.000 0.000 0.264 50 D C 0.621 176.965 176.300 0.072 0.000 1.263 50 D CA -0.048 53.965 54.000 0.022 0.000 1.037 50 D CB 0.273 41.082 40.800 0.015 0.000 1.101 50 D HN 0.201 nan 8.370 nan 0.000 0.551 51 D N -1.306 119.133 120.400 0.064 0.000 2.311 51 D HA -0.159 4.481 4.640 -0.000 0.000 0.212 51 D C 1.637 178.063 176.300 0.209 0.000 0.972 51 D CA 0.951 55.043 54.000 0.154 0.000 0.887 51 D CB -0.027 40.838 40.800 0.109 0.000 0.915 51 D HN 0.447 nan 8.370 nan 0.000 0.497 52 Q N 0.938 120.826 119.800 0.147 0.000 1.965 52 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 52 Q C 2.177 178.270 176.000 0.155 0.000 0.981 52 Q CA 0.963 56.852 55.803 0.144 0.000 0.834 52 Q CB -0.484 28.309 28.738 0.092 0.000 0.900 52 Q HN 0.357 nan 8.270 nan 0.000 0.426 53 I N -0.259 120.396 120.570 0.142 0.000 2.286 53 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 53 I C 2.003 178.213 176.117 0.154 0.000 1.115 53 I CA 1.375 62.755 61.300 0.133 0.000 1.392 53 I CB -0.177 37.891 38.000 0.115 0.000 1.065 53 I HN 0.462 nan 8.210 nan 0.000 0.418 54 Y N 2.008 122.357 120.300 0.083 0.000 2.097 54 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 54 Y C 2.276 178.241 175.900 0.108 0.000 1.152 54 Y CA 2.127 60.282 58.100 0.093 0.000 1.136 54 Y CB -0.325 38.191 38.460 0.093 0.000 0.975 54 Y HN 0.236 nan 8.280 nan 0.000 0.498 55 N N -0.179 118.579 118.700 0.097 0.000 2.512 55 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 55 N C 1.723 177.245 175.510 0.021 0.000 1.073 55 N CA 1.080 54.142 53.050 0.022 0.000 0.911 55 N CB 0.061 38.637 38.487 0.147 0.000 0.964 55 N HN 0.304 nan 8.380 nan 0.000 0.447 56 V N 0.386 120.336 119.914 0.061 0.000 2.591 56 V HA -0.099 4.021 4.120 -0.000 0.000 0.249 56 V C 2.318 178.450 176.094 0.064 0.000 1.053 56 V CA 0.856 63.212 62.300 0.093 0.000 1.068 56 V CB -0.118 31.776 31.823 0.119 0.000 0.689 56 V HN 0.024 nan 8.190 nan 0.000 0.462 57 V N -0.399 119.513 119.914 -0.003 0.000 2.323 57 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 57 V C 2.423 178.495 176.094 -0.037 0.000 1.041 57 V CA 1.693 63.980 62.300 -0.020 0.000 1.025 57 V CB -0.288 31.491 31.823 -0.074 0.000 0.656 57 V HN 0.390 nan 8.190 nan 0.000 0.451 58 V N 0.061 119.878 119.914 -0.162 0.000 2.332 58 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 58 V C 2.584 178.687 176.094 0.015 0.000 1.055 58 V CA 2.684 64.930 62.300 -0.088 0.000 1.038 58 V CB -1.049 30.675 31.823 -0.165 0.000 0.651 58 V HN 0.611 nan 8.190 nan 0.000 0.450 59 T N 0.317 114.863 114.554 -0.014 0.000 2.708 59 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 59 T C 2.049 176.726 174.700 -0.039 0.000 1.037 59 T CA 1.662 63.718 62.100 -0.074 0.000 1.146 59 T CB -0.411 68.460 68.868 0.005 0.000 0.865 59 T HN 0.575 nan 8.240 nan 0.000 0.435 60 A N 1.063 123.978 122.820 0.157 0.000 1.930 60 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 60 A C 1.986 179.705 177.584 0.226 0.000 1.175 60 A CA 2.131 54.342 52.037 0.290 0.000 0.627 60 A CB -0.920 18.247 19.000 0.278 0.000 0.815 60 A HN 0.679 nan 8.150 nan 0.000 0.443 61 H N 0.487 119.594 119.070 0.062 0.000 2.289 61 H HA -0.076 4.480 4.556 -0.000 0.000 0.296 61 H C 2.110 177.427 175.328 -0.018 0.000 1.091 61 H CA 2.354 58.424 56.048 0.036 0.000 1.274 61 H CB -0.445 29.327 29.762 0.016 0.000 1.364 61 H HN 0.359 nan 8.280 nan 0.000 0.490 62 A N 0.058 122.696 122.820 -0.303 0.000 1.858 62 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 62 A C 2.281 179.644 177.584 -0.369 0.000 1.190 62 A CA 1.613 53.320 52.037 -0.551 0.000 0.617 62 A CB -1.166 17.445 19.000 -0.649 0.000 0.827 62 A HN 0.448 nan 8.150 nan 0.000 0.443 63 F N 0.018 119.948 119.950 -0.033 0.000 2.126 63 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 63 F C 2.533 178.305 175.800 -0.046 0.000 1.096 63 F CA 1.177 59.236 58.000 0.098 0.000 1.255 63 F CB -1.031 38.047 39.000 0.130 0.000 0.997 63 F HN 0.023 nan 8.300 nan 0.000 0.479 64 V N -0.427 119.607 119.914 0.199 0.000 2.307 64 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 64 V C 2.519 178.626 176.094 0.022 0.000 1.045 64 V CA 1.487 63.887 62.300 0.166 0.000 1.024 64 V CB -0.548 31.413 31.823 0.229 0.000 0.651 64 V HN 0.215 nan 8.190 nan 0.000 0.449 65 M N -0.844 118.691 119.600 -0.108 0.000 2.117 65 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 65 M C 2.133 178.304 176.300 -0.215 0.000 1.065 65 M CA 1.959 57.157 55.300 -0.171 0.000 1.114 65 M CB -0.927 31.478 32.600 -0.325 0.000 1.361 65 M HN 0.286 nan 8.290 nan 0.000 0.408 66 I N -1.244 119.118 120.570 -0.346 0.000 2.188 66 I HA -0.245 3.925 4.170 -0.000 0.000 0.237 66 I C 2.080 177.902 176.117 -0.493 0.000 1.073 66 I CA 1.267 62.254 61.300 -0.521 0.000 1.359 66 I CB -0.439 37.046 38.000 -0.859 0.000 1.083 66 I HN 0.057 nan 8.210 nan 0.000 0.412 67 F N -0.294 119.487 119.950 -0.282 0.000 2.416 67 F HA -0.027 4.500 4.527 -0.000 0.000 0.296 67 F C 1.790 177.398 175.800 -0.319 0.000 1.099 67 F CA 0.937 58.702 58.000 -0.391 0.000 1.427 67 F CB -0.188 38.389 39.000 -0.705 0.000 1.079 67 F HN -0.044 nan 8.300 nan 0.000 0.536 68 F N -2.460 117.594 119.950 0.173 0.000 2.717 68 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 68 F C 1.921 177.839 175.800 0.197 0.000 1.113 68 F CA 0.043 58.160 58.000 0.196 0.000 1.319 68 F CB -0.304 38.549 39.000 -0.245 0.000 1.097 68 F HN -0.111 nan 8.300 nan 0.000 0.595 69 M N -0.374 119.360 119.600 0.224 0.000 2.731 69 M HA 0.089 4.569 4.480 -0.000 0.000 0.231 69 M C 2.088 178.474 176.300 0.144 0.000 1.295 69 M CA 1.178 56.580 55.300 0.170 0.000 1.283 69 M CB -0.522 32.129 32.600 0.084 0.000 1.146 69 M HN -0.083 nan 8.290 nan 0.000 0.523 70 V N 1.786 121.727 119.914 0.046 0.000 2.233 70 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 70 V C 2.606 178.734 176.094 0.058 0.000 1.050 70 V CA 2.205 64.522 62.300 0.030 0.000 1.010 70 V CB -0.846 30.936 31.823 -0.070 0.000 0.637 70 V HN 0.511 nan 8.190 nan 0.000 0.444 71 M N -0.476 119.133 119.600 0.016 0.000 2.080 71 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 71 M C -0.017 176.354 176.300 0.117 0.000 1.068 71 M CA 2.314 57.636 55.300 0.038 0.000 1.109 71 M CB -1.633 30.972 32.600 0.007 0.000 1.342 71 M HN 0.297 nan 8.290 nan 0.000 0.405 72 P HA -0.083 nan 4.420 nan 0.000 0.217 72 P C 1.383 178.838 177.300 0.257 0.000 1.150 72 P CA 1.264 64.576 63.100 0.353 0.000 0.832 72 P CB -0.108 31.984 31.700 0.653 0.000 0.787 73 I N -2.041 118.686 120.570 0.261 0.000 2.163 73 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 73 I C 2.452 178.745 176.117 0.293 0.000 1.081 73 I CA 1.595 63.041 61.300 0.242 0.000 1.353 73 I CB -0.500 37.657 38.000 0.262 0.000 1.054 73 I HN -0.101 nan 8.210 nan 0.000 0.407 74 M N 0.120 119.898 119.600 0.297 0.000 2.077 74 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 74 M C 2.304 178.736 176.300 0.220 0.000 1.070 74 M CA 2.108 57.612 55.300 0.339 0.000 1.125 74 M CB -0.209 32.500 32.600 0.183 0.000 1.339 74 M HN 0.161 nan 8.290 nan 0.000 0.409 75 I N -1.155 119.437 120.570 0.037 0.000 2.385 75 I HA -0.032 4.138 4.170 -0.000 0.000 0.244 75 I C 2.568 178.602 176.117 -0.138 0.000 1.089 75 I CA 1.133 62.358 61.300 -0.125 0.000 1.410 75 I CB -0.832 37.092 38.000 -0.127 0.000 1.117 75 I HN 0.304 nan 8.210 nan 0.000 0.429 76 G N 0.423 109.017 108.800 -0.343 0.000 2.394 76 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 76 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 76 G C 1.596 176.206 174.900 -0.484 0.000 1.176 76 G CA 0.817 45.266 45.100 -1.086 0.000 0.786 76 G HN 0.470 nan 8.290 nan 0.000 0.533 77 G N 0.425 109.155 108.800 -0.117 0.000 2.551 77 G HA2 0.041 4.001 3.960 -0.000 0.000 0.214 77 G HA3 0.041 4.001 3.960 -0.000 0.000 0.214 77 G C 1.546 176.426 174.900 -0.034 0.000 1.250 77 G CA 0.489 45.577 45.100 -0.020 0.000 0.825 77 G HN 0.286 nan 8.290 nan 0.000 0.549 78 F N 1.787 121.820 119.950 0.138 0.000 2.126 78 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 78 F C 2.973 178.906 175.800 0.222 0.000 1.096 78 F CA 1.021 59.087 58.000 0.110 0.000 1.255 78 F CB -0.455 38.569 39.000 0.040 0.000 0.997 78 F HN 0.232 nan 8.300 nan 0.000 0.479 79 G N 0.047 109.081 108.800 0.389 0.000 2.459 79 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 79 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 79 G C 1.654 176.810 174.900 0.425 0.000 1.183 79 G CA 1.136 46.361 45.100 0.208 0.000 0.776 79 G HN 0.242 nan 8.290 nan 0.000 0.552 80 N N -0.171 118.780 118.700 0.418 0.000 2.120 80 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 80 N C 1.944 177.607 175.510 0.256 0.000 1.024 80 N CA 0.961 54.183 53.050 0.286 0.000 0.852 80 N CB -0.291 38.263 38.487 0.111 0.000 1.003 80 N HN 0.578 nan 8.380 nan 0.000 0.424 81 W N 1.431 122.741 121.300 0.017 0.000 2.378 81 W HA 0.003 4.663 4.660 -0.000 0.000 0.313 81 W C 2.176 178.733 176.519 0.062 0.000 1.197 81 W CA 0.646 57.931 57.345 -0.099 0.000 1.304 81 W CB -0.276 28.851 29.460 -0.555 0.000 1.148 81 W HN 0.007 nan 8.180 nan 0.000 0.494 82 L N -1.414 120.007 121.223 0.331 0.000 2.202 82 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 82 L C 2.090 179.089 176.870 0.215 0.000 1.083 82 L CA 0.250 55.196 54.840 0.178 0.000 0.790 82 L CB -1.257 40.725 42.059 -0.128 0.000 0.942 82 L HN -0.190 nan 8.230 nan 0.000 0.452 83 V N 0.831 120.900 119.914 0.258 0.000 2.255 83 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 83 V C -0.131 175.978 176.094 0.025 0.000 1.051 83 V CA 2.260 64.653 62.300 0.154 0.000 1.018 83 V CB -1.477 30.453 31.823 0.177 0.000 0.641 83 V HN 0.325 nan 8.190 nan 0.000 0.445 84 P HA -0.103 nan 4.420 nan 0.000 0.216 84 P C 1.925 179.128 177.300 -0.163 0.000 1.153 84 P CA 1.332 64.271 63.100 -0.268 0.000 0.848 84 P CB -0.055 31.198 31.700 -0.746 0.000 0.787 85 L N -1.828 119.413 121.223 0.030 0.000 2.083 85 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 85 L C 2.421 179.346 176.870 0.092 0.000 1.083 85 L CA 1.541 56.502 54.840 0.202 0.000 0.752 85 L CB -0.850 41.403 42.059 0.324 0.000 0.899 85 L HN -0.006 nan 8.230 nan 0.000 0.433 86 M N -0.213 119.442 119.600 0.092 0.000 2.476 86 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 86 M C 1.751 178.060 176.300 0.016 0.000 1.079 86 M CA 1.328 56.700 55.300 0.119 0.000 1.104 86 M CB -0.038 32.689 32.600 0.212 0.000 1.409 86 M HN 0.357 nan 8.290 nan 0.000 0.467 87 I N -4.288 116.218 120.570 -0.106 0.000 4.025 87 I HA 0.478 4.648 4.170 -0.000 0.000 0.336 87 I C 0.887 176.804 176.117 -0.333 0.000 1.390 87 I CA -0.032 61.169 61.300 -0.164 0.000 1.099 87 I CB -0.067 37.845 38.000 -0.146 0.000 1.049 87 I HN 0.287 nan 8.210 nan 0.000 0.394 88 G N 2.040 110.470 108.800 -0.617 0.000 2.221 88 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.265 88 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.265 88 G C 0.280 174.617 174.900 -0.938 0.000 1.041 88 G CA 0.176 44.476 45.100 -1.333 0.000 0.807 88 G HN 0.941 nan 8.290 nan 0.000 0.502 89 A N 0.241 122.732 122.820 -0.550 0.000 2.304 89 A HA 0.842 5.162 4.320 -0.000 0.000 0.301 89 A C -0.060 177.450 177.584 -0.123 0.000 1.132 89 A CA -0.857 51.014 52.037 -0.278 0.000 0.819 89 A CB 1.104 19.953 19.000 -0.252 0.000 1.094 89 A HN 0.124 nan 8.150 nan 0.000 0.492 90 P HA -0.035 nan 4.420 nan 0.000 0.221 90 P C 0.101 177.393 177.300 -0.014 0.000 1.150 90 P CA 1.208 64.342 63.100 0.057 0.000 0.800 90 P CB 0.404 32.123 31.700 0.032 0.000 0.787 91 D N -2.936 117.376 120.400 -0.146 0.000 3.010 91 D HA 0.130 4.770 4.640 -0.000 0.000 0.353 91 D C -0.613 175.521 176.300 -0.276 0.000 1.415 91 D CA -0.506 53.364 54.000 -0.216 0.000 0.864 91 D CB 0.484 41.245 40.800 -0.063 0.000 1.445 91 D HN -0.327 nan 8.370 nan 0.000 0.516 92 M N 1.047 120.497 119.600 -0.250 0.000 2.202 92 M HA 0.323 4.803 4.480 -0.000 0.000 0.316 92 M C 1.274 177.387 176.300 -0.312 0.000 1.138 92 M CA 0.064 55.188 55.300 -0.295 0.000 1.151 92 M CB 0.530 32.954 32.600 -0.292 0.000 1.422 92 M HN 0.611 nan 8.290 nan 0.000 0.471 93 A N 1.509 124.049 122.820 -0.467 0.000 1.933 93 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 93 A C 0.459 177.611 177.584 -0.721 0.000 1.175 93 A CA 1.560 53.172 52.037 -0.708 0.000 0.628 93 A CB -0.246 18.095 19.000 -1.098 0.000 0.814 93 A HN 0.583 nan 8.150 nan 0.000 0.444 94 F N -0.464 119.424 119.950 -0.103 0.000 2.449 94 F HA 0.336 4.863 4.527 -0.000 0.000 0.344 94 F C -1.804 173.948 175.800 -0.080 0.000 1.180 94 F CA -2.980 54.973 58.000 -0.078 0.000 1.209 94 F CB 0.978 39.936 39.000 -0.070 0.000 1.440 94 F HN 0.058 nan 8.300 nan 0.000 0.526 95 P HA -0.200 nan 4.420 nan 0.000 0.219 95 P C 1.686 179.006 177.300 0.033 0.000 1.146 95 P CA 1.342 64.444 63.100 0.003 0.000 0.808 95 P CB 0.478 32.169 31.700 -0.015 0.000 0.779 96 R N -0.562 119.974 120.500 0.060 0.000 2.080 96 R HA 0.108 4.448 4.340 -0.000 0.000 0.222 96 R C 2.556 178.893 176.300 0.062 0.000 1.107 96 R CA 0.716 56.846 56.100 0.051 0.000 0.980 96 R CB -0.672 29.646 30.300 0.029 0.000 0.879 96 R HN 0.018 nan 8.270 nan 0.000 0.439 97 M N 1.074 120.716 119.600 0.071 0.000 2.213 97 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 97 M C 1.641 177.989 176.300 0.080 0.000 1.062 97 M CA 1.804 57.139 55.300 0.059 0.000 1.105 97 M CB -0.196 32.430 32.600 0.044 0.000 1.385 97 M HN 0.136 nan 8.290 nan 0.000 0.417 98 N N 0.940 119.686 118.700 0.076 0.000 2.149 98 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 98 N C 1.324 176.900 175.510 0.110 0.000 1.019 98 N CA 1.836 54.922 53.050 0.060 0.000 0.857 98 N CB -0.445 38.034 38.487 -0.012 0.000 0.997 98 N HN 0.415 nan 8.380 nan 0.000 0.426 99 N N -0.096 118.669 118.700 0.108 0.000 2.244 99 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 99 N C 1.683 177.330 175.510 0.229 0.000 1.016 99 N CA 0.825 53.974 53.050 0.165 0.000 0.866 99 N CB -0.215 38.396 38.487 0.208 0.000 0.980 99 N HN 0.385 nan 8.380 nan 0.000 0.430 100 M N -0.594 119.110 119.600 0.173 0.000 2.254 100 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 100 M C 1.600 177.964 176.300 0.106 0.000 1.066 100 M CA 1.023 56.418 55.300 0.157 0.000 1.123 100 M CB 0.031 32.687 32.600 0.093 0.000 1.388 100 M HN 0.032 nan 8.290 nan 0.000 0.425 101 S N 0.389 116.157 115.700 0.113 0.000 2.383 101 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 101 S C 1.456 176.088 174.600 0.053 0.000 1.030 101 S CA 1.437 59.717 58.200 0.132 0.000 1.002 101 S CB -0.532 62.804 63.200 0.226 0.000 0.829 101 S HN 0.618 nan 8.310 nan 0.000 0.467 102 F N 0.750 120.591 119.950 -0.182 0.000 2.098 102 F HA 0.040 4.567 4.527 -0.000 0.000 0.294 102 F C 1.632 177.090 175.800 -0.570 0.000 1.107 102 F CA 0.834 58.413 58.000 -0.702 0.000 1.234 102 F CB -0.616 37.720 39.000 -1.107 0.000 1.002 102 F HN 0.185 nan 8.300 nan 0.000 0.472 103 W N 0.623 121.704 121.300 -0.365 0.000 2.538 103 W HA -0.073 4.587 4.660 -0.000 0.000 0.254 103 W C 1.928 178.254 176.519 -0.322 0.000 1.249 103 W CA 0.348 57.484 57.345 -0.349 0.000 1.253 103 W CB -0.347 29.081 29.460 -0.053 0.000 1.130 103 W HN 0.077 nan 8.180 nan 0.000 0.618 104 L N -0.422 120.728 121.223 -0.121 0.000 2.313 104 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 104 L C 2.116 178.908 176.870 -0.129 0.000 1.119 104 L CA 0.527 55.329 54.840 -0.064 0.000 0.809 104 L CB -0.403 41.648 42.059 -0.012 0.000 0.933 104 L HN 0.074 nan 8.230 nan 0.000 0.449 105 L N -0.160 120.832 121.223 -0.385 0.000 2.027 105 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 105 L C -0.182 176.531 176.870 -0.262 0.000 1.074 105 L CA 1.279 55.860 54.840 -0.431 0.000 0.745 105 L CB -1.793 39.662 42.059 -1.007 0.000 0.898 105 L HN 0.191 nan 8.230 nan 0.000 0.433 106 P HA -0.109 nan 4.420 nan 0.000 0.215 106 P C -1.341 176.014 177.300 0.091 0.000 1.153 106 P CA 1.584 64.738 63.100 0.090 0.000 0.853 106 P CB -0.913 30.851 31.700 0.108 0.000 0.788 107 P HA -0.136 nan 4.420 nan 0.000 0.216 107 P C 1.929 179.287 177.300 0.097 0.000 1.153 107 P CA 1.701 64.837 63.100 0.059 0.000 0.848 107 P CB -0.469 31.255 31.700 0.039 0.000 0.787 108 S N -1.761 114.009 115.700 0.117 0.000 2.370 108 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 108 S C 1.802 176.558 174.600 0.261 0.000 1.033 108 S CA 1.105 59.433 58.200 0.213 0.000 1.011 108 S CB -1.107 62.278 63.200 0.308 0.000 0.852 108 S HN 0.056 nan 8.310 nan 0.000 0.457 109 F N 0.694 120.533 119.950 -0.184 0.000 2.146 109 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 109 F C 2.059 177.809 175.800 -0.082 0.000 1.096 109 F CA 0.833 58.559 58.000 -0.457 0.000 1.275 109 F CB -0.122 38.549 39.000 -0.548 0.000 1.008 109 F HN 0.292 nan 8.300 nan 0.000 0.480 110 L N 0.900 122.220 121.223 0.163 0.000 2.042 110 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 110 L C 1.957 178.902 176.870 0.125 0.000 1.076 110 L CA 1.751 56.637 54.840 0.077 0.000 0.749 110 L CB -0.844 41.238 42.059 0.039 0.000 0.893 110 L HN 0.160 nan 8.230 nan 0.000 0.432 111 L N -1.313 120.002 121.223 0.153 0.000 2.083 111 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 111 L C 2.508 179.487 176.870 0.182 0.000 1.083 111 L CA 1.329 56.263 54.840 0.156 0.000 0.752 111 L CB -0.508 41.650 42.059 0.165 0.000 0.899 111 L HN 0.383 nan 8.230 nan 0.000 0.433 112 L N -0.447 120.929 121.223 0.255 0.000 2.056 112 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 112 L C 2.441 179.476 176.870 0.276 0.000 1.078 112 L CA 1.261 56.274 54.840 0.289 0.000 0.749 112 L CB -0.039 42.302 42.059 0.470 0.000 0.901 112 L HN 0.163 nan 8.230 nan 0.000 0.433 113 L N -0.292 121.091 121.223 0.267 0.000 2.083 113 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 113 L C 2.825 179.776 176.870 0.134 0.000 1.083 113 L CA 1.033 55.982 54.840 0.181 0.000 0.752 113 L CB -0.825 41.286 42.059 0.088 0.000 0.899 113 L HN 0.360 nan 8.230 nan 0.000 0.433 114 A N 0.065 122.958 122.820 0.122 0.000 1.902 114 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 114 A C 2.544 180.195 177.584 0.111 0.000 1.181 114 A CA 1.996 54.094 52.037 0.101 0.000 0.623 114 A CB -0.770 18.286 19.000 0.094 0.000 0.818 114 A HN 0.497 nan 8.150 nan 0.000 0.443 115 S N 0.503 116.281 115.700 0.130 0.000 2.419 115 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 115 S C 1.990 176.669 174.600 0.131 0.000 1.016 115 S CA 1.952 60.229 58.200 0.128 0.000 0.974 115 S CB -0.705 62.572 63.200 0.127 0.000 0.786 115 S HN 0.923 nan 8.310 nan 0.000 0.492 116 S N 0.445 116.229 115.700 0.140 0.000 2.478 116 S HA 0.210 4.680 4.470 -0.000 0.000 0.222 116 S C 1.885 176.548 174.600 0.105 0.000 1.008 116 S CA 0.281 58.561 58.200 0.133 0.000 0.928 116 S CB -0.316 62.973 63.200 0.148 0.000 0.781 116 S HN 0.372 nan 8.310 nan 0.000 0.518 117 M N 2.234 121.892 119.600 0.095 0.000 2.248 117 M HA 0.214 4.694 4.480 -0.000 0.000 0.265 117 M C 1.226 177.567 176.300 0.068 0.000 1.079 117 M CA 0.633 55.978 55.300 0.075 0.000 1.150 117 M CB -0.987 31.653 32.600 0.067 0.000 1.366 117 M HN 0.415 nan 8.290 nan 0.000 0.433 118 V N -0.382 119.576 119.914 0.074 0.000 2.834 118 V HA 0.265 4.385 4.120 -0.000 0.000 0.301 118 V C 0.846 176.980 176.094 0.067 0.000 1.066 118 V CA -0.960 61.380 62.300 0.066 0.000 1.052 118 V CB 0.827 32.691 31.823 0.069 0.000 1.021 118 V HN 0.600 nan 8.190 nan 0.000 0.480 119 E N 2.578 122.810 120.200 0.054 0.000 3.401 119 E HA -0.351 3.999 4.350 -0.000 0.000 0.352 119 E C 0.930 177.558 176.600 0.046 0.000 1.523 119 E CA 2.082 58.509 56.400 0.045 0.000 1.794 119 E CB -1.700 28.029 29.700 0.047 0.000 1.792 119 E HN 1.557 nan 8.360 nan 0.000 0.471 120 A N 1.596 124.442 122.820 0.044 0.000 2.535 120 A HA 0.517 4.837 4.320 -0.000 0.000 0.273 120 A C 0.900 178.538 177.584 0.090 0.000 1.267 120 A CA 1.472 53.538 52.037 0.048 0.000 0.940 120 A CB -0.004 19.002 19.000 0.009 0.000 1.101 120 A HN 1.398 nan 8.150 nan 0.000 0.521 121 G N -0.961 107.906 108.800 0.112 0.000 2.855 121 G HA2 0.290 4.250 3.960 -0.000 0.000 0.352 121 G HA3 0.290 4.250 3.960 -0.000 0.000 0.352 121 G C 0.114 175.146 174.900 0.220 0.000 1.415 121 G CA -0.299 44.890 45.100 0.149 0.000 0.871 121 G HN 1.755 nan 8.290 nan 0.000 0.543 122 A N 0.275 123.219 122.820 0.207 0.000 2.444 122 A HA 0.732 5.052 4.320 -0.000 0.000 0.332 122 A C 0.839 178.505 177.584 0.137 0.000 1.430 122 A CA 0.802 52.945 52.037 0.176 0.000 0.975 122 A CB 0.344 19.410 19.000 0.110 0.000 1.147 122 A HN 2.299 nan 8.150 nan 0.000 0.524 123 G N 1.596 110.537 108.800 0.236 0.000 3.964 123 G HA2 0.378 4.338 3.960 -0.000 0.000 0.289 123 G HA3 0.378 4.338 3.960 -0.000 0.000 0.289 123 G C 0.675 175.577 174.900 0.004 0.000 1.176 123 G CA 0.482 45.673 45.100 0.151 0.000 1.553 123 G HN 0.782 nan 8.290 nan 0.000 0.588 124 T N -2.498 111.981 114.554 -0.125 0.000 2.985 124 T HA 0.504 4.854 4.350 -0.000 0.000 0.254 124 T C 1.115 175.711 174.700 -0.175 0.000 1.021 124 T CA 0.442 62.419 62.100 -0.205 0.000 0.957 124 T CB 0.695 69.377 68.868 -0.310 0.000 1.047 124 T HN 1.610 nan 8.240 nan 0.000 0.511 125 G N 1.710 110.431 108.800 -0.131 0.000 2.719 125 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G C 0.214 174.956 174.900 -0.263 0.000 1.201 125 G CA -0.273 44.727 45.100 -0.167 0.000 0.768 125 G HN 0.595 nan 8.290 nan 0.000 0.629 126 W N 1.008 121.994 121.300 -0.524 0.000 2.538 126 W HA -0.046 4.614 4.660 -0.000 0.000 0.254 126 W C 1.439 177.709 176.519 -0.414 0.000 1.249 126 W CA 1.953 58.806 57.345 -0.821 0.000 1.253 126 W CB -1.467 27.418 29.460 -0.958 0.000 1.130 126 W HN 1.066 nan 8.180 nan 0.000 0.618 127 T N -1.252 112.601 114.554 -1.169 0.000 3.067 127 T HA 0.053 4.403 4.350 -0.000 0.000 0.261 127 T C 1.195 175.304 174.700 -0.985 0.000 1.110 127 T CA 0.745 61.810 62.100 -1.724 0.000 1.113 127 T CB -0.772 67.110 68.868 -1.644 0.000 0.917 127 T HN 0.134 nan 8.240 nan 0.000 0.499 128 V N 0.748 120.348 119.914 -0.522 0.000 5.175 128 V HA -0.239 3.881 4.120 -0.000 0.000 0.279 128 V C 0.230 176.098 176.094 -0.377 0.000 0.571 128 V CA 0.386 62.499 62.300 -0.312 0.000 0.694 128 V CB -2.928 28.797 31.823 -0.162 0.000 0.525 128 V HN 0.709 nan 8.190 nan 0.000 1.093 129 Y N 1.837 121.857 120.300 -0.468 0.000 2.610 129 Y HA 0.236 4.786 4.550 -0.000 0.000 0.332 129 Y C -0.873 174.755 175.900 -0.453 0.000 1.201 129 Y CA -1.697 56.108 58.100 -0.492 0.000 1.465 129 Y CB 0.943 39.267 38.460 -0.226 0.000 1.283 129 Y HN 0.274 nan 8.280 nan 0.000 0.563 130 P HA 0.190 nan 4.420 nan 0.000 0.281 130 P C -2.457 174.796 177.300 -0.079 0.000 1.264 130 P CA -2.041 60.928 63.100 -0.219 0.000 0.824 130 P CB 1.405 32.960 31.700 -0.241 0.000 1.092 131 P HA 0.030 nan 4.420 nan 0.000 0.236 131 P C 1.569 178.887 177.300 0.029 0.000 1.177 131 P CA 0.121 63.234 63.100 0.021 0.000 0.773 131 P CB -0.090 31.639 31.700 0.048 0.000 0.878 132 L N 0.528 121.771 121.223 0.032 0.000 2.081 132 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 132 L C 1.939 178.837 176.870 0.046 0.000 1.080 132 L CA 2.102 56.985 54.840 0.072 0.000 0.754 132 L CB -1.301 40.790 42.059 0.054 0.000 0.893 132 L HN -0.053 nan 8.230 nan 0.000 0.433 133 A N -1.037 121.727 122.820 -0.093 0.000 2.251 133 A HA 0.416 4.736 4.320 -0.000 0.000 0.209 133 A C 1.359 178.915 177.584 -0.047 0.000 1.187 133 A CA 0.344 52.283 52.037 -0.162 0.000 0.823 133 A CB -1.210 17.631 19.000 -0.265 0.000 0.846 133 A HN 0.469 nan 8.150 nan 0.000 0.486 134 G N 0.048 108.852 108.800 0.007 0.000 2.651 134 G HA2 0.262 4.222 3.960 -0.000 0.000 0.260 134 G HA3 0.262 4.222 3.960 -0.000 0.000 0.260 134 G C 0.605 175.546 174.900 0.069 0.000 1.216 134 G CA 0.132 45.255 45.100 0.038 0.000 0.913 134 G HN 0.466 nan 8.290 nan 0.000 0.535 135 N N -0.668 118.066 118.700 0.057 0.000 2.573 135 N HA -0.076 4.664 4.740 -0.000 0.000 0.187 135 N C 1.562 177.101 175.510 0.048 0.000 1.107 135 N CA 0.800 53.883 53.050 0.054 0.000 0.918 135 N CB -0.035 38.478 38.487 0.042 0.000 0.966 135 N HN 0.326 nan 8.380 nan 0.000 0.448 136 L N -0.570 120.683 121.223 0.049 0.000 2.269 136 L HA 0.453 4.793 4.340 -0.000 0.000 0.200 136 L C 2.033 178.924 176.870 0.037 0.000 1.069 136 L CA 1.052 55.915 54.840 0.038 0.000 0.804 136 L CB -0.767 41.312 42.059 0.035 0.000 0.987 136 L HN 0.134 nan 8.230 nan 0.000 0.468 137 A N -2.131 120.727 122.820 0.062 0.000 2.169 137 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 137 A C 0.266 177.881 177.584 0.052 0.000 1.153 137 A CA 0.656 52.734 52.037 0.069 0.000 0.756 137 A CB -0.646 18.421 19.000 0.113 0.000 0.813 137 A HN 0.632 nan 8.150 nan 0.000 0.471 138 H N -1.038 118.042 119.070 0.016 0.000 2.823 138 H HA 0.515 5.071 4.556 -0.000 0.000 0.222 138 H C 0.086 175.425 175.328 0.018 0.000 1.414 138 H CA -0.189 55.869 56.048 0.017 0.000 1.289 138 H CB 0.305 30.073 29.762 0.010 0.000 1.970 138 H HN 0.391 nan 8.280 nan 0.000 0.517 139 A N 0.910 123.746 122.820 0.026 0.000 2.445 139 A HA 0.580 4.900 4.320 -0.000 0.000 0.242 139 A C 1.025 178.631 177.584 0.036 0.000 1.075 139 A CA 0.856 52.912 52.037 0.032 0.000 0.777 139 A CB -0.172 18.835 19.000 0.012 0.000 1.013 139 A HN 0.890 nan 8.150 nan 0.000 0.493 140 G N -0.812 108.016 108.800 0.047 0.000 2.541 140 G HA2 0.380 4.340 3.960 -0.000 0.000 0.686 140 G HA3 0.380 4.340 3.960 -0.000 0.000 0.686 140 G C 0.617 175.558 174.900 0.068 0.000 1.286 140 G CA 0.099 45.230 45.100 0.052 0.000 0.894 140 G HN 1.952 nan 8.290 nan 0.000 0.575 141 A N -0.177 122.688 122.820 0.074 0.000 2.121 141 A HA 0.289 4.609 4.320 -0.000 0.000 0.218 141 A C 2.689 180.329 177.584 0.094 0.000 1.154 141 A CA 2.535 54.625 52.037 0.088 0.000 0.679 141 A CB -0.630 18.427 19.000 0.095 0.000 0.795 141 A HN 1.587 nan 8.150 nan 0.000 0.458 142 S N -0.191 115.569 115.700 0.100 0.000 2.377 142 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 142 S C 1.862 176.515 174.600 0.089 0.000 1.042 142 S CA 1.855 60.123 58.200 0.114 0.000 1.086 142 S CB -0.626 62.664 63.200 0.151 0.000 0.995 142 S HN 0.388 nan 8.310 nan 0.000 0.428 143 V N 2.405 122.366 119.914 0.078 0.000 2.594 143 V HA -0.153 3.967 4.120 -0.000 0.000 0.253 143 V C 1.917 177.974 176.094 -0.061 0.000 1.069 143 V CA 1.647 63.947 62.300 0.001 0.000 1.082 143 V CB -0.678 31.133 31.823 -0.020 0.000 0.680 143 V HN 0.428 nan 8.190 nan 0.000 0.469 144 D N -0.040 120.335 120.400 -0.042 0.000 2.183 144 D HA -0.062 4.578 4.640 -0.000 0.000 0.203 144 D C 2.111 178.351 176.300 -0.101 0.000 0.969 144 D CA 0.964 54.876 54.000 -0.146 0.000 0.842 144 D CB 0.046 40.814 40.800 -0.052 0.000 0.957 144 D HN 0.361 nan 8.370 nan 0.000 0.484 145 L N 0.646 121.918 121.223 0.082 0.000 2.156 145 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 145 L C 2.507 179.427 176.870 0.082 0.000 1.095 145 L CA 0.917 55.868 54.840 0.184 0.000 0.770 145 L CB -0.398 41.758 42.059 0.162 0.000 0.914 145 L HN -0.035 nan 8.230 nan 0.000 0.439 146 T N 0.093 114.636 114.554 -0.018 0.000 2.708 146 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 146 T C 1.921 176.471 174.700 -0.250 0.000 1.037 146 T CA 1.320 63.341 62.100 -0.133 0.000 1.146 146 T CB -0.159 68.645 68.868 -0.107 0.000 0.865 146 T HN 0.177 nan 8.240 nan 0.000 0.435 147 I N 0.244 120.652 120.570 -0.271 0.000 2.226 147 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 147 I C 2.027 177.934 176.117 -0.349 0.000 1.100 147 I CA 1.368 62.430 61.300 -0.396 0.000 1.374 147 I CB -0.379 37.341 38.000 -0.467 0.000 1.057 147 I HN 0.158 nan 8.210 nan 0.000 0.413 148 F N 0.432 120.344 119.950 -0.063 0.000 2.171 148 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 148 F C 2.934 178.728 175.800 -0.011 0.000 1.090 148 F CA 1.431 59.455 58.000 0.040 0.000 1.293 148 F CB -1.153 37.883 39.000 0.060 0.000 1.013 148 F HN 0.007 nan 8.300 nan 0.000 0.486 149 S N 0.213 115.974 115.700 0.103 0.000 2.359 149 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 149 S C 2.211 176.748 174.600 -0.105 0.000 1.035 149 S CA 1.229 59.455 58.200 0.042 0.000 1.018 149 S CB -0.452 62.743 63.200 -0.008 0.000 0.876 149 S HN 0.329 nan 8.310 nan 0.000 0.448 150 L N 0.109 121.140 121.223 -0.320 0.000 2.083 150 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 150 L C 2.421 179.128 176.870 -0.272 0.000 1.083 150 L CA 1.723 56.271 54.840 -0.488 0.000 0.752 150 L CB -0.702 40.998 42.059 -0.598 0.000 0.899 150 L HN 0.472 nan 8.230 nan 0.000 0.433 151 H N -0.433 118.569 119.070 -0.114 0.000 2.321 151 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 151 H C 2.349 177.666 175.328 -0.019 0.000 1.087 151 H CA 1.252 57.275 56.048 -0.042 0.000 1.319 151 H CB 0.125 29.928 29.762 0.069 0.000 1.379 151 H HN 0.200 nan 8.280 nan 0.000 0.501 152 L N -0.157 121.155 121.223 0.149 0.000 2.056 152 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 152 L C 2.825 179.736 176.870 0.069 0.000 1.078 152 L CA 0.819 55.717 54.840 0.096 0.000 0.749 152 L CB -0.572 41.545 42.059 0.095 0.000 0.901 152 L HN 0.342 nan 8.230 nan 0.000 0.433 153 A N 0.538 123.381 122.820 0.040 0.000 1.933 153 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 153 A C 2.400 180.013 177.584 0.049 0.000 1.175 153 A CA 1.670 53.734 52.037 0.045 0.000 0.628 153 A CB -1.071 17.871 19.000 -0.098 0.000 0.814 153 A HN 0.442 nan 8.150 nan 0.000 0.444 154 G N -0.647 108.151 108.800 -0.003 0.000 2.402 154 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 154 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 154 G C 1.489 176.423 174.900 0.057 0.000 1.162 154 G CA 1.167 46.277 45.100 0.016 0.000 0.777 154 G HN 0.304 nan 8.290 nan 0.000 0.539 155 V N 0.881 120.830 119.914 0.059 0.000 2.358 155 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 155 V C 3.036 179.171 176.094 0.067 0.000 1.047 155 V CA 2.161 64.493 62.300 0.053 0.000 1.035 155 V CB -0.344 31.502 31.823 0.038 0.000 0.658 155 V HN 0.496 nan 8.190 nan 0.000 0.452 156 S N -0.294 115.452 115.700 0.077 0.000 2.359 156 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 156 S C 2.237 176.918 174.600 0.134 0.000 1.035 156 S CA 2.346 60.605 58.200 0.100 0.000 1.018 156 S CB -0.340 62.918 63.200 0.096 0.000 0.876 156 S HN 0.577 nan 8.310 nan 0.000 0.448 157 S N 0.766 116.550 115.700 0.140 0.000 2.383 157 S HA 0.098 4.568 4.470 -0.000 0.000 0.227 157 S C 1.740 176.425 174.600 0.141 0.000 1.026 157 S CA 1.229 59.522 58.200 0.155 0.000 0.981 157 S CB -0.389 62.911 63.200 0.166 0.000 0.818 157 S HN 0.533 nan 8.310 nan 0.000 0.472 158 I N 1.263 121.902 120.570 0.114 0.000 2.252 158 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 158 I C 1.945 178.121 176.117 0.098 0.000 1.102 158 I CA 1.007 62.368 61.300 0.102 0.000 1.385 158 I CB -0.257 37.788 38.000 0.076 0.000 1.064 158 I HN 0.236 nan 8.210 nan 0.000 0.414 159 L N 0.115 121.391 121.223 0.088 0.000 2.093 159 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 159 L C 2.635 179.567 176.870 0.103 0.000 1.085 159 L CA 1.455 56.343 54.840 0.079 0.000 0.755 159 L CB -1.146 40.950 42.059 0.061 0.000 0.904 159 L HN 0.329 nan 8.230 nan 0.000 0.435 160 G N -0.355 108.523 108.800 0.130 0.000 2.408 160 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 160 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 160 G C 1.789 176.821 174.900 0.220 0.000 1.150 160 G CA 0.769 45.957 45.100 0.148 0.000 0.776 160 G HN 0.451 nan 8.290 nan 0.000 0.542 161 A N 0.872 123.821 122.820 0.215 0.000 1.902 161 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 161 A C 2.386 180.075 177.584 0.176 0.000 1.181 161 A CA 1.273 53.439 52.037 0.214 0.000 0.623 161 A CB -0.367 18.727 19.000 0.157 0.000 0.818 161 A HN 0.368 nan 8.150 nan 0.000 0.443 162 I N -0.141 120.514 120.570 0.143 0.000 2.226 162 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 162 I C 2.467 178.687 176.117 0.171 0.000 1.100 162 I CA 1.356 62.745 61.300 0.149 0.000 1.374 162 I CB -0.420 37.661 38.000 0.135 0.000 1.057 162 I HN 0.347 nan 8.210 nan 0.000 0.413 163 N N 0.977 119.757 118.700 0.133 0.000 2.084 163 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 163 N C 1.901 177.309 175.510 -0.170 0.000 1.030 163 N CA 1.690 54.730 53.050 -0.016 0.000 0.849 163 N CB -0.259 38.153 38.487 -0.126 0.000 1.012 163 N HN 0.236 nan 8.380 nan 0.000 0.423 164 F N 0.903 120.836 119.950 -0.029 0.000 2.113 164 F HA -0.019 4.508 4.527 -0.000 0.000 0.297 164 F C 2.317 178.059 175.800 -0.096 0.000 1.103 164 F CA 0.617 58.569 58.000 -0.080 0.000 1.248 164 F CB -0.172 38.782 39.000 -0.076 0.000 0.999 164 F HN -0.000 nan 8.300 nan 0.000 0.475 165 I N -0.525 120.122 120.570 0.129 0.000 2.179 165 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 165 I C 2.275 178.378 176.117 -0.022 0.000 1.088 165 I CA 1.569 62.893 61.300 0.040 0.000 1.357 165 I CB -0.820 37.213 38.000 0.055 0.000 1.051 165 I HN 0.106 nan 8.210 nan 0.000 0.409 166 T N -0.080 114.455 114.554 -0.033 0.000 2.708 166 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 166 T C 1.926 176.513 174.700 -0.188 0.000 1.037 166 T CA 2.074 64.111 62.100 -0.106 0.000 1.146 166 T CB -0.459 68.314 68.868 -0.158 0.000 0.865 166 T HN 0.367 nan 8.240 nan 0.000 0.435 167 T N 2.238 116.659 114.554 -0.223 0.000 2.684 167 T HA -0.006 4.344 4.350 -0.000 0.000 0.267 167 T C 1.988 176.588 174.700 -0.166 0.000 1.036 167 T CA 1.087 63.050 62.100 -0.228 0.000 1.148 167 T CB -0.448 68.281 68.868 -0.230 0.000 0.863 167 T HN 0.342 nan 8.240 nan 0.000 0.436 168 I N 0.505 121.001 120.570 -0.124 0.000 2.394 168 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 168 I C 1.941 177.947 176.117 -0.186 0.000 1.136 168 I CA 0.713 61.920 61.300 -0.155 0.000 1.425 168 I CB -0.267 37.636 38.000 -0.161 0.000 1.079 168 I HN 0.190 nan 8.210 nan 0.000 0.425 169 I N 0.436 120.912 120.570 -0.157 0.000 2.480 169 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 169 I C 2.067 178.106 176.117 -0.131 0.000 1.124 169 I CA 1.448 62.660 61.300 -0.147 0.000 1.444 169 I CB -1.333 36.604 38.000 -0.104 0.000 1.098 169 I HN 0.264 nan 8.210 nan 0.000 0.428 170 N N 0.267 118.888 118.700 -0.132 0.000 2.388 170 N HA 0.080 4.820 4.740 -0.000 0.000 0.176 170 N C 1.073 176.504 175.510 -0.133 0.000 1.062 170 N CA 0.473 53.449 53.050 -0.123 0.000 0.895 170 N CB 0.229 38.640 38.487 -0.126 0.000 1.018 170 N HN 0.144 nan 8.380 nan 0.000 0.456 171 M N 0.164 119.672 119.600 -0.154 0.000 2.778 171 M HA 0.238 4.718 4.480 -0.000 0.000 0.359 171 M C -0.536 175.671 176.300 -0.156 0.000 1.216 171 M CA -0.201 55.006 55.300 -0.155 0.000 0.935 171 M CB 0.768 33.260 32.600 -0.180 0.000 1.330 171 M HN -0.168 nan 8.290 nan 0.000 0.516 172 K N 0.983 121.297 120.400 -0.145 0.000 2.087 172 K HA 0.488 4.808 4.320 -0.000 0.000 0.255 172 K C -2.429 174.098 176.600 -0.122 0.000 0.988 172 K CA -1.706 54.496 56.287 -0.141 0.000 0.915 172 K CB 0.343 32.763 32.500 -0.135 0.000 1.043 172 K HN -0.126 nan 8.250 nan 0.000 0.457 173 P HA 0.000 nan 4.420 nan 0.000 0.267 173 P C -2.116 175.131 177.300 -0.089 0.000 1.200 173 P CA -0.896 62.145 63.100 -0.099 0.000 0.772 173 P CB 0.162 31.807 31.700 -0.092 0.000 0.855 174 P HA -0.231 nan 4.420 nan 0.000 0.217 174 P C 0.970 178.227 177.300 -0.071 0.000 1.148 174 P CA 1.856 64.911 63.100 -0.075 0.000 0.834 174 P CB -0.181 31.476 31.700 -0.073 0.000 0.783 175 A N -1.704 121.068 122.820 -0.080 0.000 2.123 175 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 175 A C 1.297 178.854 177.584 -0.046 0.000 1.152 175 A CA 0.059 52.056 52.037 -0.067 0.000 0.728 175 A CB -0.884 18.062 19.000 -0.089 0.000 0.814 175 A HN 0.167 nan 8.150 nan 0.000 0.464 176 M N 2.318 121.887 119.600 -0.053 0.000 2.143 176 M HA 0.240 4.720 4.480 -0.000 0.000 0.348 176 M C 0.457 176.729 176.300 -0.047 0.000 1.375 176 M CA -0.205 55.071 55.300 -0.040 0.000 1.124 176 M CB 0.442 33.012 32.600 -0.051 0.000 1.669 176 M HN 0.437 nan 8.290 nan 0.000 0.469 177 S N 3.402 119.090 115.700 -0.020 0.000 2.661 177 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 177 S C 0.622 175.165 174.600 -0.095 0.000 1.225 177 S CA -0.502 57.668 58.200 -0.050 0.000 0.986 177 S CB 1.298 64.507 63.200 0.014 0.000 1.008 177 S HN 0.821 nan 8.310 nan 0.000 0.565 178 Q N -0.615 119.037 119.800 -0.246 0.000 2.291 178 Q HA 0.054 4.394 4.340 -0.000 0.000 0.205 178 Q C 0.498 176.538 176.000 0.066 0.000 0.970 178 Q CA 1.475 57.094 55.803 -0.307 0.000 0.876 178 Q CB -0.498 27.952 28.738 -0.480 0.000 0.935 178 Q HN 0.826 nan 8.270 nan 0.000 0.455 179 Y N -0.817 119.722 120.300 0.398 0.000 2.477 179 Y HA 0.157 4.707 4.550 -0.000 0.000 0.303 179 Y C 0.840 176.930 175.900 0.316 0.000 1.202 179 Y CA 0.263 58.678 58.100 0.525 0.000 1.282 179 Y CB 0.178 38.850 38.460 0.353 0.000 1.071 179 Y HN 0.121 nan 8.280 nan 0.000 0.510 180 Q N -0.629 119.348 119.800 0.295 0.000 2.149 180 Q HA 0.117 4.457 4.340 -0.000 0.000 0.221 180 Q C 0.361 176.450 176.000 0.149 0.000 0.807 180 Q CA -0.102 55.770 55.803 0.116 0.000 1.000 180 Q CB 0.833 29.604 28.738 0.055 0.000 1.157 180 Q HN 0.269 nan 8.270 nan 0.000 0.487 181 T N -1.912 112.804 114.554 0.269 0.000 2.882 181 T HA 0.575 4.925 4.350 -0.000 0.000 0.287 181 T C -2.555 172.424 174.700 0.466 0.000 0.992 181 T CA -2.239 59.985 62.100 0.206 0.000 1.076 181 T CB 1.430 70.262 68.868 -0.059 0.000 0.961 181 T HN -0.224 nan 8.240 nan 0.000 0.490 182 P HA 0.143 nan 4.420 nan 0.000 0.268 182 P C 1.127 178.847 177.300 0.700 0.000 1.208 182 P CA -0.426 63.014 63.100 0.566 0.000 0.777 182 P CB 0.426 32.482 31.700 0.593 0.000 0.875 183 L N 0.896 122.556 121.223 0.728 0.000 2.127 183 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 183 L C 2.112 179.344 176.870 0.603 0.000 1.089 183 L CA 1.471 56.679 54.840 0.615 0.000 0.757 183 L CB -0.617 41.724 42.059 0.470 0.000 0.899 183 L HN 0.399 nan 8.230 nan 0.000 0.434 184 F N 0.274 120.524 119.950 0.501 0.000 2.186 184 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 184 F C 2.217 178.089 175.800 0.120 0.000 1.090 184 F CA 1.254 59.344 58.000 0.150 0.000 1.307 184 F CB -0.294 38.559 39.000 -0.245 0.000 1.019 184 F HN -0.259 nan 8.300 nan 0.000 0.489 185 V N -0.939 119.041 119.914 0.109 0.000 2.343 185 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 185 V C 2.129 178.159 176.094 -0.107 0.000 1.051 185 V CA 2.048 64.288 62.300 -0.100 0.000 1.036 185 V CB -1.070 30.743 31.823 -0.016 0.000 0.654 185 V HN 0.500 nan 8.190 nan 0.000 0.451 186 W N 0.857 122.159 121.300 0.003 0.000 2.355 186 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 186 W C 3.039 179.526 176.519 -0.054 0.000 1.206 186 W CA 1.988 59.333 57.345 -0.000 0.000 1.284 186 W CB -0.412 29.075 29.460 0.045 0.000 1.145 186 W HN 0.372 nan 8.180 nan 0.000 0.502 187 S N -0.445 115.364 115.700 0.182 0.000 2.383 187 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 187 S C 1.683 176.208 174.600 -0.126 0.000 1.030 187 S CA 1.645 59.882 58.200 0.061 0.000 1.002 187 S CB -1.045 62.218 63.200 0.105 0.000 0.829 187 S HN 0.069 nan 8.310 nan 0.000 0.467 188 V N 1.837 121.533 119.914 -0.364 0.000 2.379 188 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 188 V C 2.600 178.526 176.094 -0.279 0.000 1.044 188 V CA 2.015 64.020 62.300 -0.491 0.000 1.036 188 V CB -0.741 30.588 31.823 -0.823 0.000 0.664 188 V HN 0.607 nan 8.190 nan 0.000 0.453 189 M N -0.212 119.289 119.600 -0.165 0.000 2.086 189 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 189 M C 2.043 178.355 176.300 0.020 0.000 1.067 189 M CA 2.106 57.366 55.300 -0.067 0.000 1.116 189 M CB -0.270 32.273 32.600 -0.096 0.000 1.348 189 M HN 0.233 nan 8.290 nan 0.000 0.407 190 I N -0.423 120.196 120.570 0.082 0.000 2.226 190 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 190 I C 2.122 178.290 176.117 0.084 0.000 1.100 190 I CA 1.543 62.918 61.300 0.126 0.000 1.374 190 I CB -0.789 37.315 38.000 0.172 0.000 1.057 190 I HN 0.357 nan 8.210 nan 0.000 0.413 191 T N 0.787 115.353 114.554 0.019 0.000 2.746 191 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 191 T C 2.072 176.786 174.700 0.023 0.000 1.039 191 T CA 1.522 63.619 62.100 -0.005 0.000 1.142 191 T CB -0.311 68.504 68.868 -0.087 0.000 0.866 191 T HN 0.491 nan 8.240 nan 0.000 0.444 192 A N 0.866 123.691 122.820 0.009 0.000 1.933 192 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 192 A C 2.578 180.225 177.584 0.105 0.000 1.175 192 A CA 1.316 53.393 52.037 0.067 0.000 0.628 192 A CB -0.969 18.084 19.000 0.089 0.000 0.814 192 A HN 0.363 nan 8.150 nan 0.000 0.444 193 V N 0.439 120.417 119.914 0.107 0.000 2.343 193 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 193 V C 2.545 178.753 176.094 0.191 0.000 1.051 193 V CA 1.869 64.246 62.300 0.128 0.000 1.036 193 V CB -0.749 31.149 31.823 0.125 0.000 0.654 193 V HN 0.574 nan 8.190 nan 0.000 0.451 194 L N -0.886 120.474 121.223 0.228 0.000 2.083 194 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 194 L C 2.438 179.470 176.870 0.270 0.000 1.083 194 L CA 1.504 56.545 54.840 0.335 0.000 0.752 194 L CB -0.669 41.487 42.059 0.162 0.000 0.899 194 L HN 0.316 nan 8.230 nan 0.000 0.433 195 L N -0.457 120.872 121.223 0.177 0.000 2.017 195 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 195 L C 2.610 179.594 176.870 0.189 0.000 1.073 195 L CA 0.885 55.832 54.840 0.178 0.000 0.745 195 L CB -0.376 41.769 42.059 0.143 0.000 0.894 195 L HN 0.211 nan 8.230 nan 0.000 0.432 196 L N -0.413 120.908 121.223 0.164 0.000 2.042 196 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 196 L C 2.214 179.169 176.870 0.142 0.000 1.076 196 L CA 1.795 56.716 54.840 0.135 0.000 0.749 196 L CB -0.195 41.929 42.059 0.108 0.000 0.893 196 L HN 0.140 nan 8.230 nan 0.000 0.432 197 L N -1.667 119.666 121.223 0.183 0.000 2.249 197 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 197 L C 2.522 179.586 176.870 0.322 0.000 1.090 197 L CA 0.979 55.927 54.840 0.180 0.000 0.802 197 L CB -0.581 41.485 42.059 0.011 0.000 0.947 197 L HN 0.422 nan 8.230 nan 0.000 0.453 198 S N -0.183 115.761 115.700 0.406 0.000 2.404 198 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 198 S C 1.962 176.772 174.600 0.350 0.000 1.040 198 S CA 0.217 58.661 58.200 0.407 0.000 0.957 198 S CB -0.579 62.782 63.200 0.268 0.000 0.826 198 S HN 0.254 nan 8.310 nan 0.000 0.491 199 L N 1.833 123.220 121.223 0.272 0.000 2.079 199 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 199 L C -0.759 176.105 176.870 -0.010 0.000 1.081 199 L CA 1.307 56.182 54.840 0.058 0.000 0.752 199 L CB -1.373 40.729 42.059 0.072 0.000 0.896 199 L HN 0.292 nan 8.230 nan 0.000 0.433 200 P HA -0.118 nan 4.420 nan 0.000 0.218 200 P C 1.829 179.134 177.300 0.008 0.000 1.149 200 P CA 0.990 64.109 63.100 0.030 0.000 0.817 200 P CB 0.138 31.868 31.700 0.049 0.000 0.785 201 V N -0.501 119.442 119.914 0.049 0.000 2.379 201 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 201 V C 2.327 178.378 176.094 -0.071 0.000 1.044 201 V CA 1.363 63.673 62.300 0.018 0.000 1.036 201 V CB -1.179 30.736 31.823 0.152 0.000 0.664 201 V HN 0.064 nan 8.190 nan 0.000 0.453 202 L N 1.188 122.322 121.223 -0.150 0.000 2.017 202 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 202 L C 2.478 179.200 176.870 -0.247 0.000 1.073 202 L CA 2.440 57.066 54.840 -0.357 0.000 0.745 202 L CB -0.925 40.612 42.059 -0.868 0.000 0.894 202 L HN 0.204 nan 8.230 nan 0.000 0.432 203 A N -0.319 122.401 122.820 -0.167 0.000 1.908 203 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 203 A C 2.468 180.060 177.584 0.014 0.000 1.181 203 A CA 2.116 54.135 52.037 -0.031 0.000 0.627 203 A CB -1.293 17.740 19.000 0.055 0.000 0.818 203 A HN 0.638 nan 8.150 nan 0.000 0.445 204 A N -0.510 122.290 122.820 -0.033 0.000 1.858 204 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 204 A C 2.491 180.038 177.584 -0.063 0.000 1.190 204 A CA 2.091 54.097 52.037 -0.052 0.000 0.617 204 A CB -1.547 17.407 19.000 -0.077 0.000 0.827 204 A HN 0.798 nan 8.150 nan 0.000 0.443 205 G N 0.706 109.466 108.800 -0.067 0.000 2.446 205 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 205 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 205 G C 1.517 176.494 174.900 0.127 0.000 1.168 205 G CA 1.362 46.462 45.100 0.001 0.000 0.771 205 G HN 0.891 nan 8.290 nan 0.000 0.551 206 I N -1.915 118.670 120.570 0.024 0.000 2.676 206 I HA 0.038 4.208 4.170 -0.000 0.000 0.259 206 I C 2.306 178.424 176.117 0.002 0.000 1.194 206 I CA 1.476 62.784 61.300 0.013 0.000 1.473 206 I CB -0.538 37.341 38.000 -0.202 0.000 1.096 206 I HN -0.078 nan 8.210 nan 0.000 0.443 207 T N 1.428 116.010 114.554 0.046 0.000 2.857 207 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 207 T C 1.906 176.626 174.700 0.034 0.000 1.048 207 T CA 1.558 63.712 62.100 0.090 0.000 1.139 207 T CB -0.158 68.772 68.868 0.103 0.000 0.874 207 T HN 0.326 nan 8.240 nan 0.000 0.455 208 M N 0.391 119.967 119.600 -0.041 0.000 2.175 208 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 208 M C 2.210 178.607 176.300 0.162 0.000 1.063 208 M CA 1.119 56.305 55.300 -0.189 0.000 1.119 208 M CB -0.402 31.765 32.600 -0.721 0.000 1.377 208 M HN 0.170 nan 8.290 nan 0.000 0.415 209 L N 0.511 121.949 121.223 0.358 0.000 2.093 209 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 209 L C 2.137 179.081 176.870 0.123 0.000 1.085 209 L CA 1.495 56.530 54.840 0.326 0.000 0.755 209 L CB -0.611 41.537 42.059 0.149 0.000 0.904 209 L HN 0.190 nan 8.230 nan 0.000 0.435 210 L N -0.655 120.600 121.223 0.053 0.000 2.017 210 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 210 L C 2.612 179.512 176.870 0.050 0.000 1.073 210 L CA 2.491 57.326 54.840 -0.008 0.000 0.745 210 L CB -0.931 41.096 42.059 -0.052 0.000 0.894 210 L HN 0.614 nan 8.230 nan 0.000 0.432 211 T N -4.676 109.938 114.554 0.100 0.000 2.904 211 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 211 T C 1.636 176.401 174.700 0.107 0.000 1.059 211 T CA 1.219 63.392 62.100 0.122 0.000 1.137 211 T CB -0.614 68.369 68.868 0.192 0.000 0.879 211 T HN 0.269 nan 8.240 nan 0.000 0.467 212 D N 1.297 121.778 120.400 0.134 0.000 2.178 212 D HA 0.023 4.663 4.640 -0.000 0.000 0.201 212 D C 2.435 178.773 176.300 0.064 0.000 0.980 212 D CA 0.836 54.891 54.000 0.091 0.000 0.842 212 D CB -0.142 40.737 40.800 0.132 0.000 0.948 212 D HN 0.442 nan 8.370 nan 0.000 0.472 213 R N -0.359 120.179 120.500 0.064 0.000 2.200 213 R HA 0.168 4.508 4.340 -0.000 0.000 0.208 213 R C 1.050 177.374 176.300 0.039 0.000 1.033 213 R CA 0.633 56.759 56.100 0.044 0.000 1.000 213 R CB 0.250 30.567 30.300 0.028 0.000 0.906 213 R HN 0.161 nan 8.270 nan 0.000 0.462 214 N N -0.879 117.848 118.700 0.044 0.000 2.211 214 N HA 0.115 4.855 4.740 -0.000 0.000 0.216 214 N C 0.640 176.175 175.510 0.042 0.000 1.240 214 N CA 0.248 53.326 53.050 0.046 0.000 0.895 214 N CB 1.168 39.690 38.487 0.058 0.000 1.102 214 N HN 0.084 nan 8.380 nan 0.000 0.498 215 L N 0.894 122.142 121.223 0.040 0.000 3.122 215 L HA 0.293 4.633 4.340 -0.000 0.000 0.274 215 L C -0.177 176.696 176.870 0.006 0.000 1.222 215 L CA -0.024 54.834 54.840 0.029 0.000 1.028 215 L CB 0.059 42.143 42.059 0.042 0.000 1.386 215 L HN -0.043 nan 8.230 nan 0.000 0.578 216 N N 0.789 119.489 118.700 0.001 0.000 2.741 216 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 216 N C 0.480 175.951 175.510 -0.065 0.000 1.115 216 N CA 1.320 54.357 53.050 -0.022 0.000 0.724 216 N CB -1.274 37.200 38.487 -0.021 0.000 1.090 216 N HN 0.537 nan 8.380 nan 0.000 0.558 217 T N -2.416 112.091 114.554 -0.077 0.000 2.816 217 T HA 0.502 4.852 4.350 -0.000 0.000 0.282 217 T C 1.192 175.764 174.700 -0.214 0.000 0.993 217 T CA 0.219 62.191 62.100 -0.214 0.000 0.994 217 T CB 1.668 70.394 68.868 -0.238 0.000 1.025 217 T HN 0.247 nan 8.240 nan 0.000 0.529 218 T N -1.643 112.691 114.554 -0.366 0.000 3.633 218 T HA 0.330 4.680 4.350 -0.000 0.000 0.278 218 T C 0.612 175.140 174.700 -0.287 0.000 0.991 218 T CA -0.687 61.273 62.100 -0.233 0.000 1.036 218 T CB -0.955 67.821 68.868 -0.155 0.000 1.148 218 T HN 0.466 nan 8.240 nan 0.000 0.501 219 F N 0.812 120.544 119.950 -0.363 0.000 2.126 219 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 219 F C 1.255 176.729 175.800 -0.543 0.000 1.096 219 F CA 1.210 58.854 58.000 -0.594 0.000 1.255 219 F CB -0.297 38.046 39.000 -1.095 0.000 0.997 219 F HN 0.364 nan 8.300 nan 0.000 0.479 220 F N -1.553 118.525 119.950 0.213 0.000 2.654 220 F HA 0.219 4.746 4.527 -0.000 0.000 0.303 220 F C 0.070 175.908 175.800 0.064 0.000 1.099 220 F CA -0.889 57.185 58.000 0.123 0.000 1.270 220 F CB -0.294 38.761 39.000 0.092 0.000 1.024 220 F HN -0.262 nan 8.300 nan 0.000 0.548 221 D N 1.586 122.055 120.400 0.115 0.000 2.392 221 D HA 0.257 4.897 4.640 -0.000 0.000 0.228 221 D C -2.004 174.323 176.300 0.044 0.000 1.074 221 D CA -2.504 51.539 54.000 0.072 0.000 0.838 221 D CB 2.037 42.856 40.800 0.032 0.000 1.067 221 D HN -0.096 nan 8.370 nan 0.000 0.511 222 P HA -0.140 nan 4.420 nan 0.000 0.217 222 P C 1.022 178.335 177.300 0.021 0.000 1.148 222 P CA 1.365 64.490 63.100 0.043 0.000 0.828 222 P CB 0.256 31.985 31.700 0.048 0.000 0.783 223 A N -0.353 122.477 122.820 0.016 0.000 1.978 223 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 223 A C 2.222 179.800 177.584 -0.011 0.000 1.170 223 A CA 1.989 54.029 52.037 0.005 0.000 0.636 223 A CB -1.616 17.387 19.000 0.005 0.000 0.810 223 A HN 0.329 nan 8.150 nan 0.000 0.448 224 G N -2.636 106.150 108.800 -0.024 0.000 3.233 224 G HA2 0.407 4.367 3.960 -0.000 0.000 0.234 224 G HA3 0.407 4.367 3.960 -0.000 0.000 0.234 224 G C 1.005 175.876 174.900 -0.049 0.000 1.137 224 G CA 0.465 45.535 45.100 -0.050 0.000 0.763 224 G HN 1.608 nan 8.290 nan 0.000 0.549 225 G N -1.103 107.685 108.800 -0.021 0.000 2.141 225 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.231 225 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.231 225 G C 0.781 175.683 174.900 0.003 0.000 0.984 225 G CA 0.185 45.280 45.100 -0.009 0.000 0.660 225 G HN 0.967 nan 8.290 nan 0.000 0.525 226 G N -0.910 107.892 108.800 0.003 0.000 2.563 226 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 226 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 226 G C -0.730 174.234 174.900 0.105 0.000 1.309 226 G CA 0.546 45.669 45.100 0.038 0.000 1.022 226 G HN 0.491 nan 8.290 nan 0.000 0.501 227 D N -1.598 118.917 120.400 0.191 0.000 2.891 227 D HA 0.336 4.976 4.640 -0.000 0.000 0.224 227 D C -2.097 174.380 176.300 0.295 0.000 1.321 227 D CA -1.582 52.542 54.000 0.206 0.000 0.929 227 D CB 2.204 43.114 40.800 0.184 0.000 1.551 227 D HN -0.054 nan 8.370 nan 0.000 0.574 228 P HA -0.043 nan 4.420 nan 0.000 0.220 228 P C 1.563 178.864 177.300 0.002 0.000 1.148 228 P CA 0.411 63.571 63.100 0.101 0.000 0.803 228 P CB 0.342 32.061 31.700 0.031 0.000 0.782 229 I N -1.224 119.370 120.570 0.041 0.000 2.493 229 I HA -0.143 4.027 4.170 -0.000 0.000 0.254 229 I C 2.085 178.243 176.117 0.069 0.000 1.160 229 I CA 0.962 62.254 61.300 -0.013 0.000 1.445 229 I CB -1.581 36.442 38.000 0.038 0.000 1.086 229 I HN 0.014 nan 8.210 nan 0.000 0.433 230 L N 0.763 122.123 121.223 0.230 0.000 2.042 230 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 230 L C 2.605 179.589 176.870 0.190 0.000 1.076 230 L CA 1.879 56.915 54.840 0.327 0.000 0.749 230 L CB -1.278 41.050 42.059 0.448 0.000 0.893 230 L HN 0.264 nan 8.230 nan 0.000 0.432 231 Y N 0.161 120.340 120.300 -0.201 0.000 2.165 231 Y HA -0.303 4.247 4.550 -0.000 0.000 0.286 231 Y C 2.563 178.263 175.900 -0.334 0.000 1.155 231 Y CA 2.213 59.917 58.100 -0.660 0.000 1.164 231 Y CB -0.193 37.434 38.460 -1.387 0.000 0.978 231 Y HN 0.404 nan 8.280 nan 0.000 0.513 232 Q N -1.047 118.577 119.800 -0.293 0.000 2.084 232 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 232 Q C 2.071 178.061 176.000 -0.016 0.000 0.978 232 Q CA 1.570 57.220 55.803 -0.256 0.000 0.844 232 Q CB -0.368 28.165 28.738 -0.341 0.000 0.898 232 Q HN 0.631 nan 8.270 nan 0.000 0.426 233 H N 0.585 119.713 119.070 0.095 0.000 2.321 233 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 233 H C 2.256 177.554 175.328 -0.050 0.000 1.087 233 H CA 1.220 57.375 56.048 0.178 0.000 1.319 233 H CB -0.228 29.643 29.762 0.182 0.000 1.379 233 H HN 0.212 nan 8.280 nan 0.000 0.501 234 L N -0.525 120.683 121.223 -0.026 0.000 2.046 234 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 234 L C 2.557 179.300 176.870 -0.212 0.000 1.077 234 L CA 1.109 55.858 54.840 -0.151 0.000 0.747 234 L CB -0.550 41.402 42.059 -0.179 0.000 0.896 234 L HN 0.104 nan 8.230 nan 0.000 0.432 235 F N -0.174 119.454 119.950 -0.537 0.000 2.075 235 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 235 F C 2.068 177.640 175.800 -0.380 0.000 1.113 235 F CA 1.481 59.112 58.000 -0.616 0.000 1.218 235 F CB -0.448 37.952 39.000 -0.999 0.000 0.984 235 F HN -0.042 nan 8.300 nan 0.000 0.472 236 W N -1.071 120.234 121.300 0.008 0.000 2.465 236 W HA -0.126 4.534 4.660 -0.000 0.000 0.268 236 W C 2.233 178.709 176.519 -0.073 0.000 1.242 236 W CA 0.521 57.852 57.345 -0.022 0.000 1.248 236 W CB -0.600 28.992 29.460 0.220 0.000 1.118 236 W HN 0.108 nan 8.180 nan 0.000 0.587 237 F N -0.145 119.709 119.950 -0.160 0.000 2.269 237 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 237 F C 2.104 177.816 175.800 -0.147 0.000 1.082 237 F CA 1.587 59.373 58.000 -0.356 0.000 1.360 237 F CB -0.399 38.236 39.000 -0.608 0.000 1.041 237 F HN -0.029 nan 8.300 nan 0.000 0.512 238 F N 0.162 119.960 119.950 -0.253 0.000 2.262 238 F HA 0.244 4.771 4.527 -0.000 0.000 0.292 238 F C 2.244 177.812 175.800 -0.388 0.000 1.081 238 F CA 1.228 59.032 58.000 -0.327 0.000 1.355 238 F CB -1.194 37.590 39.000 -0.361 0.000 1.069 238 F HN -0.117 nan 8.300 nan 0.000 0.506 239 G N -0.183 108.085 108.800 -0.887 0.000 2.513 239 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.219 239 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.219 239 G C 1.496 176.171 174.900 -0.376 0.000 1.160 239 G CA 1.579 46.210 45.100 -0.781 0.000 0.767 239 G HN 0.556 nan 8.290 nan 0.000 0.571 240 H N 1.759 120.788 119.070 -0.068 0.000 2.276 240 H HA 0.003 4.559 4.556 -0.000 0.000 0.301 240 H C 0.281 175.531 175.328 -0.130 0.000 1.073 240 H CA 1.708 57.767 56.048 0.019 0.000 1.311 240 H CB -0.766 29.090 29.762 0.157 0.000 1.379 240 H HN 0.262 nan 8.280 nan 0.000 0.494 241 P HA -0.189 nan 4.420 nan 0.000 0.217 241 P C 1.256 178.276 177.300 -0.467 0.000 1.151 241 P CA 2.075 64.856 63.100 -0.531 0.000 0.849 241 P CB 0.005 31.148 31.700 -0.927 0.000 0.787 242 E N 0.013 119.789 120.200 -0.707 0.000 2.097 242 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 242 E C 1.736 178.041 176.600 -0.492 0.000 1.000 242 E CA 1.740 57.745 56.400 -0.659 0.000 0.804 242 E CB -1.279 27.804 29.700 -1.028 0.000 0.740 242 E HN 0.146 nan 8.360 nan 0.000 0.454 243 V N -1.162 118.408 119.914 -0.574 0.000 2.515 243 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 243 V C 1.896 177.610 176.094 -0.634 0.000 1.058 243 V CA 1.713 63.655 62.300 -0.597 0.000 1.064 243 V CB -1.079 30.367 31.823 -0.628 0.000 0.675 243 V HN 0.247 nan 8.190 nan 0.000 0.461 244 Y N 0.214 120.335 120.300 -0.299 0.000 2.395 244 Y HA 0.207 4.757 4.550 -0.000 0.000 0.293 244 Y C 2.286 178.066 175.900 -0.200 0.000 1.123 244 Y CA 1.334 59.322 58.100 -0.186 0.000 1.227 244 Y CB -0.424 37.972 38.460 -0.106 0.000 1.012 244 Y HN 0.207 nan 8.280 nan 0.000 0.552 245 I N -0.670 119.816 120.570 -0.141 0.000 2.394 245 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 245 I C 1.824 177.844 176.117 -0.163 0.000 1.136 245 I CA 1.165 62.389 61.300 -0.127 0.000 1.425 245 I CB -0.196 37.726 38.000 -0.130 0.000 1.079 245 I HN 0.193 nan 8.210 nan 0.000 0.425 246 L N -0.590 120.494 121.223 -0.232 0.000 2.313 246 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 246 L C 2.178 178.929 176.870 -0.198 0.000 1.119 246 L CA 0.729 55.436 54.840 -0.221 0.000 0.809 246 L CB -0.048 41.840 42.059 -0.285 0.000 0.933 246 L HN 0.239 nan 8.230 nan 0.000 0.449 247 I N -1.152 119.257 120.570 -0.268 0.000 3.526 247 I HA -0.043 4.127 4.170 -0.000 0.000 0.294 247 I C 1.996 177.770 176.117 -0.572 0.000 1.229 247 I CA 0.806 61.872 61.300 -0.390 0.000 1.408 247 I CB 0.200 37.925 38.000 -0.459 0.000 1.127 247 I HN 0.003 nan 8.210 nan 0.000 0.439 248 L N 1.268 122.262 121.223 -0.382 0.000 2.013 248 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 248 L C -0.464 176.393 176.870 -0.021 0.000 1.073 248 L CA 1.790 56.513 54.840 -0.194 0.000 0.753 248 L CB -1.816 40.230 42.059 -0.023 0.000 0.890 248 L HN 0.192 nan 8.230 nan 0.000 0.432 249 P HA -0.102 nan 4.420 nan 0.000 0.220 249 P C 1.476 178.882 177.300 0.176 0.000 1.148 249 P CA 1.480 64.629 63.100 0.082 0.000 0.803 249 P CB -0.129 31.599 31.700 0.046 0.000 0.782 250 G N -1.253 107.570 108.800 0.038 0.000 2.404 250 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 250 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 250 G C 1.457 176.372 174.900 0.026 0.000 1.174 250 G CA 0.186 45.278 45.100 -0.012 0.000 0.780 250 G HN 0.224 nan 8.290 nan 0.000 0.537 251 F N 1.345 121.304 119.950 0.016 0.000 2.126 251 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 251 F C 3.030 178.983 175.800 0.255 0.000 1.096 251 F CA 0.382 58.492 58.000 0.183 0.000 1.255 251 F CB -0.196 38.976 39.000 0.287 0.000 0.997 251 F HN 0.277 nan 8.300 nan 0.000 0.479 252 G N 0.263 109.351 108.800 0.479 0.000 2.446 252 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G C 1.575 176.763 174.900 0.480 0.000 1.168 252 G CA 0.814 46.230 45.100 0.527 0.000 0.771 252 G HN 0.223 nan 8.290 nan 0.000 0.551 253 M N 0.076 119.843 119.600 0.279 0.000 2.175 253 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 253 M C 2.448 178.754 176.300 0.011 0.000 1.063 253 M CA 0.840 56.180 55.300 0.067 0.000 1.119 253 M CB -0.291 32.245 32.600 -0.108 0.000 1.377 253 M HN 0.098 nan 8.290 nan 0.000 0.415 254 I N -0.004 120.465 120.570 -0.169 0.000 2.286 254 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 254 I C 2.435 178.387 176.117 -0.275 0.000 1.115 254 I CA 1.409 62.433 61.300 -0.460 0.000 1.392 254 I CB -1.300 36.021 38.000 -1.132 0.000 1.065 254 I HN 0.229 nan 8.210 nan 0.000 0.418 255 S N -0.545 115.225 115.700 0.116 0.000 2.368 255 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 255 S C 1.901 176.652 174.600 0.252 0.000 1.030 255 S CA 1.012 59.434 58.200 0.369 0.000 0.999 255 S CB -0.390 63.150 63.200 0.568 0.000 0.844 255 S HN 0.511 nan 8.310 nan 0.000 0.459 256 H N 0.276 119.435 119.070 0.149 0.000 2.363 256 H HA 0.074 4.630 4.556 -0.000 0.000 0.301 256 H C 2.143 177.418 175.328 -0.088 0.000 1.074 256 H CA 1.327 57.446 56.048 0.118 0.000 1.354 256 H CB -0.120 29.791 29.762 0.248 0.000 1.397 256 H HN 0.342 nan 8.280 nan 0.000 0.516 257 I N 0.300 120.820 120.570 -0.084 0.000 2.202 257 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 257 I C 2.526 178.611 176.117 -0.054 0.000 1.091 257 I CA 0.694 61.859 61.300 -0.225 0.000 1.368 257 I CB -0.179 37.706 38.000 -0.191 0.000 1.058 257 I HN 0.005 nan 8.210 nan 0.000 0.410 258 V N 0.541 120.417 119.914 -0.062 0.000 2.295 258 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 258 V C 2.521 178.624 176.094 0.014 0.000 1.049 258 V CA 2.507 64.790 62.300 -0.028 0.000 1.024 258 V CB -0.981 30.805 31.823 -0.062 0.000 0.648 258 V HN 0.473 nan 8.190 nan 0.000 0.447 259 T N -1.074 113.502 114.554 0.037 0.000 2.708 259 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 259 T C 1.740 176.409 174.700 -0.051 0.000 1.037 259 T CA 2.176 64.293 62.100 0.029 0.000 1.146 259 T CB -0.395 68.500 68.868 0.045 0.000 0.865 259 T HN 0.544 nan 8.240 nan 0.000 0.435 260 Y N 0.733 120.891 120.300 -0.238 0.000 2.114 260 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 260 Y C 1.877 177.480 175.900 -0.494 0.000 1.143 260 Y CA 1.383 59.229 58.100 -0.424 0.000 1.135 260 Y CB -0.386 37.662 38.460 -0.687 0.000 0.980 260 Y HN 0.229 nan 8.280 nan 0.000 0.499 261 Y N -0.917 119.350 120.300 -0.055 0.000 2.578 261 Y HA -0.005 4.545 4.550 -0.000 0.000 0.297 261 Y C 2.205 177.986 175.900 -0.198 0.000 1.176 261 Y CA 0.903 58.919 58.100 -0.140 0.000 1.315 261 Y CB -0.263 38.116 38.460 -0.134 0.000 1.031 261 Y HN 0.037 nan 8.280 nan 0.000 0.524 262 S N -1.077 114.571 115.700 -0.087 0.000 2.575 262 S HA 0.204 4.674 4.470 -0.000 0.000 0.215 262 S C 1.728 176.256 174.600 -0.120 0.000 0.966 262 S CA 0.550 58.694 58.200 -0.092 0.000 0.911 262 S CB -0.150 63.023 63.200 -0.045 0.000 0.780 262 S HN 0.638 nan 8.310 nan 0.000 0.514 263 G N 1.723 110.405 108.800 -0.196 0.000 2.198 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 263 G C -0.081 174.722 174.900 -0.162 0.000 1.025 263 G CA 0.269 45.236 45.100 -0.222 0.000 0.769 263 G HN 0.348 nan 8.290 nan 0.000 0.507 264 K N -0.223 120.097 120.400 -0.133 0.000 2.098 264 K HA 0.566 4.886 4.320 -0.000 0.000 0.258 264 K C 1.412 177.971 176.600 -0.068 0.000 0.973 264 K CA -0.315 55.932 56.287 -0.067 0.000 0.898 264 K CB 0.974 33.469 32.500 -0.008 0.000 1.057 264 K HN 0.299 nan 8.250 nan 0.000 0.447 265 K N 0.969 121.349 120.400 -0.033 0.000 2.393 265 K HA 0.065 4.385 4.320 -0.000 0.000 0.193 265 K C -0.470 176.135 176.600 0.008 0.000 1.026 265 K CA 0.374 56.649 56.287 -0.019 0.000 1.064 265 K CB 0.192 32.683 32.500 -0.015 0.000 0.833 265 K HN 0.623 nan 8.250 nan 0.000 0.521 266 E N 0.420 120.635 120.200 0.024 0.000 2.388 266 E HA 0.316 4.666 4.350 -0.000 0.000 0.280 266 E C -3.116 173.542 176.600 0.096 0.000 1.019 266 E CA -2.308 54.122 56.400 0.051 0.000 0.806 266 E CB 1.424 31.143 29.700 0.031 0.000 1.246 266 E HN -0.164 nan 8.360 nan 0.000 0.443 267 P HA 0.144 nan 4.420 nan 0.000 0.277 267 P C -0.725 176.705 177.300 0.217 0.000 1.240 267 P CA -0.436 62.790 63.100 0.210 0.000 0.798 267 P CB 0.515 32.360 31.700 0.241 0.000 0.979 268 F N 1.745 121.769 119.950 0.123 0.000 2.529 268 F HA 0.368 4.895 4.527 -0.000 0.000 0.365 268 F C 1.335 177.185 175.800 0.084 0.000 1.102 268 F CA 1.181 59.240 58.000 0.098 0.000 1.271 268 F CB -0.092 38.967 39.000 0.098 0.000 1.120 268 F HN 0.698 nan 8.300 nan 0.000 0.579 269 G N 6.067 114.471 108.800 -0.660 0.000 2.372 269 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.297 269 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.297 269 G C 0.401 175.260 174.900 -0.069 0.000 1.005 269 G CA 0.681 45.551 45.100 -0.383 0.000 1.173 269 G HN 1.062 nan 8.290 nan 0.000 0.511 270 Y N 0.552 120.780 120.300 -0.120 0.000 2.069 270 Y HA -0.293 4.257 4.550 -0.000 0.000 0.278 270 Y C 2.662 178.521 175.900 -0.068 0.000 1.175 270 Y CA 2.733 60.807 58.100 -0.043 0.000 1.134 270 Y CB -0.092 38.365 38.460 -0.005 0.000 0.965 270 Y HN 0.414 nan 8.280 nan 0.000 0.498 271 M N -0.142 119.466 119.600 0.013 0.000 2.213 271 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 271 M C 2.386 178.600 176.300 -0.145 0.000 1.062 271 M CA 1.418 56.638 55.300 -0.132 0.000 1.105 271 M CB -1.886 30.669 32.600 -0.076 0.000 1.385 271 M HN 0.512 nan 8.290 nan 0.000 0.417 272 G N -0.432 108.310 108.800 -0.097 0.000 2.421 272 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 272 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 272 G C 1.533 176.463 174.900 0.050 0.000 1.143 272 G CA 0.333 45.428 45.100 -0.008 0.000 0.784 272 G HN 0.256 nan 8.290 nan 0.000 0.541 273 M N 0.474 120.016 119.600 -0.097 0.000 2.200 273 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 273 M C 2.705 178.865 176.300 -0.233 0.000 1.066 273 M CA 0.665 55.873 55.300 -0.153 0.000 1.127 273 M CB -0.832 31.678 32.600 -0.151 0.000 1.379 273 M HN 0.107 nan 8.290 nan 0.000 0.420 274 V N -1.112 118.550 119.914 -0.420 0.000 2.307 274 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 274 V C 2.077 177.965 176.094 -0.344 0.000 1.045 274 V CA 1.726 63.641 62.300 -0.642 0.000 1.024 274 V CB -0.816 30.367 31.823 -1.066 0.000 0.651 274 V HN 0.629 nan 8.190 nan 0.000 0.449 275 W N 1.275 122.371 121.300 -0.340 0.000 2.338 275 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 275 W C 2.412 178.849 176.519 -0.137 0.000 1.212 275 W CA 2.235 59.455 57.345 -0.208 0.000 1.264 275 W CB -0.414 28.945 29.460 -0.168 0.000 1.142 275 W HN 0.187 nan 8.180 nan 0.000 0.512 276 A N 0.491 123.220 122.820 -0.152 0.000 1.883 276 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 276 A C 2.067 179.465 177.584 -0.309 0.000 1.186 276 A CA 2.270 54.085 52.037 -0.370 0.000 0.624 276 A CB -0.948 17.994 19.000 -0.097 0.000 0.822 276 A HN 0.434 nan 8.150 nan 0.000 0.444 277 M N -1.265 118.236 119.600 -0.165 0.000 2.175 277 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 277 M C 2.377 178.638 176.300 -0.065 0.000 1.063 277 M CA 1.420 56.700 55.300 -0.034 0.000 1.119 277 M CB -0.394 32.234 32.600 0.046 0.000 1.377 277 M HN 0.434 nan 8.290 nan 0.000 0.415 278 M N -0.823 118.685 119.600 -0.153 0.000 2.132 278 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 278 M C 2.265 178.494 176.300 -0.119 0.000 1.065 278 M CA 1.405 56.649 55.300 -0.094 0.000 1.122 278 M CB -0.472 32.063 32.600 -0.107 0.000 1.365 278 M HN 0.195 nan 8.290 nan 0.000 0.411 279 S N 1.058 116.545 115.700 -0.356 0.000 2.356 279 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 279 S C 1.840 176.357 174.600 -0.139 0.000 1.032 279 S CA 1.194 59.193 58.200 -0.336 0.000 1.005 279 S CB -0.409 62.311 63.200 -0.799 0.000 0.867 279 S HN 0.368 nan 8.310 nan 0.000 0.449 280 I N 1.483 121.945 120.570 -0.180 0.000 2.208 280 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 280 I C 2.681 178.697 176.117 -0.167 0.000 1.097 280 I CA 1.225 62.431 61.300 -0.156 0.000 1.363 280 I CB -0.831 37.156 38.000 -0.022 0.000 1.051 280 I HN 0.384 nan 8.210 nan 0.000 0.413 281 G N 0.485 109.270 108.800 -0.025 0.000 2.418 281 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 281 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 281 G C 1.576 176.574 174.900 0.163 0.000 1.158 281 G CA 0.578 45.718 45.100 0.066 0.000 0.771 281 G HN 0.344 nan 8.290 nan 0.000 0.545 282 F N 1.255 121.233 119.950 0.047 0.000 2.060 282 F HA 0.070 4.597 4.527 -0.000 0.000 0.295 282 F C 2.467 178.332 175.800 0.108 0.000 1.120 282 F CA 1.190 59.256 58.000 0.109 0.000 1.205 282 F CB -0.377 38.638 39.000 0.024 0.000 0.986 282 F HN 0.028 nan 8.300 nan 0.000 0.470 283 L N 0.276 121.428 121.223 -0.118 0.000 2.127 283 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 283 L C 2.647 179.358 176.870 -0.264 0.000 1.089 283 L CA 1.226 55.937 54.840 -0.215 0.000 0.757 283 L CB -1.528 40.469 42.059 -0.103 0.000 0.899 283 L HN 0.399 nan 8.230 nan 0.000 0.434 284 G N -1.095 107.518 108.800 -0.313 0.000 2.586 284 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 284 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 284 G C 1.175 175.931 174.900 -0.241 0.000 1.128 284 G CA 0.235 45.154 45.100 -0.301 0.000 0.774 284 G HN 0.282 nan 8.290 nan 0.000 0.543 285 F N -0.013 119.829 119.950 -0.181 0.000 2.746 285 F HA 0.305 4.832 4.527 -0.000 0.000 0.297 285 F C 1.891 177.718 175.800 0.045 0.000 1.113 285 F CA -0.180 57.700 58.000 -0.200 0.000 1.367 285 F CB 0.444 39.290 39.000 -0.257 0.000 1.111 285 F HN 0.211 nan 8.300 nan 0.000 0.590 286 I N -1.847 118.833 120.570 0.183 0.000 3.856 286 I HA 0.259 4.429 4.170 -0.000 0.000 0.330 286 I C 0.395 176.649 176.117 0.228 0.000 1.546 286 I CA 0.033 61.529 61.300 0.326 0.000 1.132 286 I CB 0.130 38.204 38.000 0.123 0.000 1.157 286 I HN -0.092 nan 8.210 nan 0.000 0.440 287 V N -3.455 116.574 119.914 0.192 0.000 3.398 287 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 287 V C 1.747 177.660 176.094 -0.301 0.000 1.496 287 V CA -0.150 62.163 62.300 0.022 0.000 1.044 287 V CB -0.852 30.869 31.823 -0.168 0.000 0.880 287 V HN 0.699 nan 8.190 nan 0.000 0.443 288 W N 2.521 123.767 121.300 -0.090 0.000 2.308 288 W HA -0.151 4.509 4.660 -0.000 0.000 0.301 288 W C 1.874 178.135 176.519 -0.430 0.000 1.220 288 W CA 2.208 59.450 57.345 -0.173 0.000 1.240 288 W CB -1.026 28.514 29.460 0.134 0.000 1.142 288 W HN 0.254 nan 8.180 nan 0.000 0.521 289 A N 1.705 123.585 122.820 -1.567 0.000 2.225 289 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 289 A C 1.829 178.631 177.584 -1.304 0.000 1.164 289 A CA 1.349 52.463 52.037 -1.538 0.000 0.710 289 A CB -1.842 15.640 19.000 -2.529 0.000 0.780 289 A HN 0.820 nan 8.150 nan 0.000 0.473 290 H N -3.058 115.328 119.070 -1.140 0.000 2.567 290 H HA 0.002 4.558 4.556 -0.000 0.000 0.276 290 H C 0.684 175.145 175.328 -1.445 0.000 1.016 290 H CA 0.898 55.948 56.048 -1.663 0.000 1.186 290 H CB -0.329 28.906 29.762 -0.878 0.000 1.351 290 H HN 0.668 nan 8.280 nan 0.000 0.605 291 H N 0.442 119.054 119.070 -0.762 0.000 2.529 291 H HA 0.237 4.793 4.556 -0.000 0.000 0.277 291 H C 0.436 175.405 175.328 -0.598 0.000 1.004 291 H CA 0.167 55.761 56.048 -0.757 0.000 1.167 291 H CB 0.532 29.337 29.762 -1.595 0.000 1.445 291 H HN 0.478 nan 8.280 nan 0.000 0.554 292 M N -0.461 118.793 119.600 -0.577 0.000 2.848 292 M HA 0.110 4.590 4.480 -0.000 0.000 0.420 292 M C 0.123 176.257 176.300 -0.276 0.000 1.304 292 M CA -0.182 54.901 55.300 -0.363 0.000 0.844 292 M CB 0.525 32.950 32.600 -0.291 0.000 1.451 292 M HN -0.092 nan 8.290 nan 0.000 0.511 293 F N 1.078 120.843 119.950 -0.308 0.000 2.333 293 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 293 F C 2.572 178.270 175.800 -0.171 0.000 1.083 293 F CA 1.636 59.506 58.000 -0.217 0.000 1.395 293 F CB -0.724 38.164 39.000 -0.187 0.000 1.056 293 F HN 0.293 nan 8.300 nan 0.000 0.529 294 T N -3.673 110.847 114.554 -0.056 0.000 3.069 294 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 294 T C 1.700 176.409 174.700 0.015 0.000 1.053 294 T CA 0.694 62.791 62.100 -0.005 0.000 0.964 294 T CB -0.731 68.158 68.868 0.035 0.000 1.005 294 T HN 0.110 nan 8.240 nan 0.000 0.532 295 V N -1.026 118.882 119.914 -0.010 0.000 3.141 295 V HA 0.464 4.584 4.120 -0.000 0.000 0.265 295 V C 1.463 177.577 176.094 0.035 0.000 1.126 295 V CA 0.514 62.821 62.300 0.012 0.000 1.141 295 V CB -1.451 30.357 31.823 -0.024 0.000 0.743 295 V HN 0.861 nan 8.190 nan 0.000 0.492 296 G N 0.041 108.866 108.800 0.043 0.000 2.580 296 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.204 296 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.204 296 G C -0.450 174.489 174.900 0.066 0.000 1.107 296 G CA 0.087 45.219 45.100 0.053 0.000 0.881 296 G HN 0.473 nan 8.290 nan 0.000 0.497 297 M N 0.252 119.898 119.600 0.077 0.000 2.444 297 M HA 0.385 4.865 4.480 -0.000 0.000 0.319 297 M C 0.200 176.555 176.300 0.091 0.000 1.183 297 M CA -0.837 54.522 55.300 0.099 0.000 1.032 297 M CB 0.614 33.288 32.600 0.122 0.000 1.569 297 M HN 0.165 nan 8.290 nan 0.000 0.468 298 D N 0.898 121.357 120.400 0.097 0.000 2.449 298 D HA -0.055 4.585 4.640 -0.000 0.000 0.236 298 D C 0.832 177.181 176.300 0.081 0.000 1.149 298 D CA 0.060 54.109 54.000 0.081 0.000 0.878 298 D CB 0.815 41.664 40.800 0.082 0.000 1.198 298 D HN 0.336 nan 8.370 nan 0.000 0.446 299 V N 1.864 121.811 119.914 0.055 0.000 2.427 299 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 299 V C 1.187 177.314 176.094 0.054 0.000 1.051 299 V CA 1.831 64.154 62.300 0.039 0.000 1.048 299 V CB -0.116 31.717 31.823 0.016 0.000 0.666 299 V HN 0.417 nan 8.190 nan 0.000 0.456 300 D N -0.476 119.963 120.400 0.064 0.000 2.117 300 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 300 D C 2.245 178.623 176.300 0.130 0.000 0.982 300 D CA 1.863 55.907 54.000 0.074 0.000 0.828 300 D CB -0.510 40.323 40.800 0.056 0.000 0.967 300 D HN 0.430 nan 8.370 nan 0.000 0.464 301 T N 0.731 115.383 114.554 0.163 0.000 2.746 301 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 301 T C 1.971 176.920 174.700 0.414 0.000 1.039 301 T CA 0.924 63.195 62.100 0.284 0.000 1.142 301 T CB 0.016 69.052 68.868 0.279 0.000 0.866 301 T HN 0.143 nan 8.240 nan 0.000 0.444 302 R N 0.658 121.321 120.500 0.272 0.000 2.115 302 R HA 0.119 4.459 4.340 -0.000 0.000 0.230 302 R C 2.723 179.087 176.300 0.106 0.000 1.111 302 R CA 1.040 57.282 56.100 0.235 0.000 0.976 302 R CB -0.291 30.042 30.300 0.055 0.000 0.870 302 R HN 0.332 nan 8.270 nan 0.000 0.445 303 A N 0.415 123.278 122.820 0.071 0.000 1.929 303 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 303 A C 1.922 179.516 177.584 0.016 0.000 1.176 303 A CA 0.935 52.978 52.037 0.011 0.000 0.628 303 A CB -0.559 18.450 19.000 0.015 0.000 0.816 303 A HN 0.444 nan 8.150 nan 0.000 0.444 304 Y N -0.422 119.870 120.300 -0.013 0.000 2.114 304 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 304 Y C 1.849 177.659 175.900 -0.149 0.000 1.143 304 Y CA 1.822 59.847 58.100 -0.125 0.000 1.135 304 Y CB -0.668 37.644 38.460 -0.246 0.000 0.980 304 Y HN 0.233 nan 8.280 nan 0.000 0.499 305 F N 0.335 120.120 119.950 -0.275 0.000 2.269 305 F HA -0.190 4.337 4.527 -0.000 0.000 0.301 305 F C 2.461 178.205 175.800 -0.094 0.000 1.082 305 F CA 1.910 59.739 58.000 -0.285 0.000 1.360 305 F CB -0.938 38.060 39.000 -0.004 0.000 1.041 305 F HN 0.039 nan 8.300 nan 0.000 0.512 306 T N -1.065 113.557 114.554 0.113 0.000 2.737 306 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 306 T C 2.262 176.919 174.700 -0.071 0.000 1.038 306 T CA 1.739 63.858 62.100 0.033 0.000 1.144 306 T CB -0.375 68.423 68.868 -0.117 0.000 0.866 306 T HN 0.181 nan 8.240 nan 0.000 0.434 307 S N 1.641 117.247 115.700 -0.156 0.000 2.348 307 S HA -0.020 4.450 4.470 -0.000 0.000 0.221 307 S C 2.601 177.078 174.600 -0.206 0.000 1.033 307 S CA 0.986 59.090 58.200 -0.160 0.000 1.010 307 S CB -0.660 62.454 63.200 -0.144 0.000 0.891 307 S HN 0.570 nan 8.310 nan 0.000 0.442 308 A N 1.432 124.003 122.820 -0.414 0.000 1.940 308 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 308 A C 2.313 179.784 177.584 -0.188 0.000 1.176 308 A CA 2.071 53.885 52.037 -0.371 0.000 0.631 308 A CB -1.340 17.221 19.000 -0.733 0.000 0.814 308 A HN 0.485 nan 8.150 nan 0.000 0.446 309 T N -0.062 114.415 114.554 -0.128 0.000 2.821 309 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 309 T C 1.872 176.548 174.700 -0.039 0.000 1.046 309 T CA 1.721 63.807 62.100 -0.024 0.000 1.139 309 T CB -0.283 68.645 68.868 0.099 0.000 0.871 309 T HN 0.461 nan 8.240 nan 0.000 0.454 310 M N 0.241 119.813 119.600 -0.047 0.000 2.319 310 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 310 M C 2.017 178.309 176.300 -0.014 0.000 1.068 310 M CA 1.120 56.401 55.300 -0.032 0.000 1.118 310 M CB -0.461 32.118 32.600 -0.036 0.000 1.395 310 M HN 0.205 nan 8.290 nan 0.000 0.435 311 I N 0.452 121.010 120.570 -0.020 0.000 2.423 311 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 311 I C 2.068 178.194 176.117 0.014 0.000 1.151 311 I CA 1.188 62.492 61.300 0.006 0.000 1.421 311 I CB -0.391 37.612 38.000 0.005 0.000 1.079 311 I HN 0.298 nan 8.210 nan 0.000 0.431 312 I N 0.900 121.467 120.570 -0.004 0.000 2.530 312 I HA -0.264 3.906 4.170 -0.000 0.000 0.257 312 I C 2.709 178.855 176.117 0.048 0.000 1.179 312 I CA 0.991 62.292 61.300 0.000 0.000 1.440 312 I CB -0.542 37.453 38.000 -0.008 0.000 1.087 312 I HN 0.201 nan 8.210 nan 0.000 0.440 313 A N 1.223 124.074 122.820 0.052 0.000 2.019 313 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 313 A C 2.254 179.882 177.584 0.074 0.000 1.164 313 A CA 1.150 53.225 52.037 0.064 0.000 0.644 313 A CB -0.510 18.516 19.000 0.044 0.000 0.805 313 A HN 0.368 nan 8.150 nan 0.000 0.449 314 I N 0.480 121.100 120.570 0.084 0.000 2.090 314 I HA -0.149 4.021 4.170 -0.000 0.000 0.236 314 I C -0.231 175.978 176.117 0.153 0.000 1.064 314 I CA 1.523 62.904 61.300 0.134 0.000 1.324 314 I CB -1.301 36.795 38.000 0.160 0.000 1.044 314 I HN 0.226 nan 8.210 nan 0.000 0.399 315 P HA -0.140 nan 4.420 nan 0.000 0.216 315 P C 1.547 178.834 177.300 -0.020 0.000 1.150 315 P CA 1.761 64.850 63.100 -0.018 0.000 0.837 315 P CB -0.301 31.191 31.700 -0.347 0.000 0.786 316 T N -0.391 114.167 114.554 0.007 0.000 2.788 316 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 316 T C 2.163 176.801 174.700 -0.103 0.000 1.044 316 T CA 1.691 63.790 62.100 -0.000 0.000 1.139 316 T CB -1.108 67.877 68.868 0.195 0.000 0.867 316 T HN 0.213 nan 8.240 nan 0.000 0.454 317 G N 1.112 109.880 108.800 -0.054 0.000 2.418 317 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 317 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 317 G C 1.687 176.488 174.900 -0.165 0.000 1.158 317 G CA 0.683 45.686 45.100 -0.163 0.000 0.771 317 G HN 0.428 nan 8.290 nan 0.000 0.545 318 V N 0.743 120.671 119.914 0.024 0.000 2.392 318 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 318 V C 2.816 178.827 176.094 -0.137 0.000 1.059 318 V CA 2.252 64.598 62.300 0.077 0.000 1.051 318 V CB -0.361 31.586 31.823 0.206 0.000 0.658 318 V HN 0.385 nan 8.190 nan 0.000 0.455 319 K N -0.539 119.637 120.400 -0.374 0.000 2.057 319 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 319 K C 2.097 178.055 176.600 -1.070 0.000 1.050 319 K CA 1.243 57.018 56.287 -0.853 0.000 0.935 319 K CB -0.378 31.407 32.500 -1.192 0.000 0.715 319 K HN 0.326 nan 8.250 nan 0.000 0.439 320 V N 1.113 120.611 119.914 -0.693 0.000 2.295 320 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 320 V C 1.996 177.979 176.094 -0.186 0.000 1.049 320 V CA 1.818 63.916 62.300 -0.336 0.000 1.024 320 V CB -0.535 31.086 31.823 -0.337 0.000 0.648 320 V HN 0.220 nan 8.190 nan 0.000 0.447 321 F N -0.037 119.893 119.950 -0.034 0.000 2.293 321 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 321 F C 2.621 178.375 175.800 -0.076 0.000 1.086 321 F CA 1.099 59.080 58.000 -0.032 0.000 1.375 321 F CB -0.360 38.615 39.000 -0.042 0.000 1.045 321 F HN 0.061 nan 8.300 nan 0.000 0.516 322 S N -0.800 114.926 115.700 0.043 0.000 2.383 322 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 322 S C 1.709 176.401 174.600 0.154 0.000 1.026 322 S CA 0.772 59.031 58.200 0.098 0.000 0.981 322 S CB -0.318 62.918 63.200 0.060 0.000 0.818 322 S HN 0.398 nan 8.310 nan 0.000 0.472 323 W N 1.888 123.244 121.300 0.093 0.000 2.363 323 W HA 0.092 4.752 4.660 -0.000 0.000 0.296 323 W C 1.896 178.456 176.519 0.068 0.000 1.212 323 W CA 0.263 57.656 57.345 0.080 0.000 1.260 323 W CB -1.194 28.306 29.460 0.067 0.000 1.131 323 W HN 0.305 nan 8.180 nan 0.000 0.530 324 L N -0.007 121.393 121.223 0.295 0.000 2.056 324 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 324 L C 2.560 179.476 176.870 0.075 0.000 1.078 324 L CA 1.414 56.366 54.840 0.186 0.000 0.749 324 L CB -1.321 40.859 42.059 0.203 0.000 0.901 324 L HN -0.149 nan 8.230 nan 0.000 0.433 325 A N -0.655 122.132 122.820 -0.056 0.000 2.121 325 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 325 A C 2.266 179.835 177.584 -0.025 0.000 1.154 325 A CA 1.825 53.681 52.037 -0.301 0.000 0.679 325 A CB -0.600 17.727 19.000 -1.123 0.000 0.795 325 A HN 0.374 nan 8.150 nan 0.000 0.458 326 T N 0.051 114.691 114.554 0.143 0.000 2.978 326 T HA 0.066 4.416 4.350 -0.000 0.000 0.262 326 T C 1.722 176.502 174.700 0.134 0.000 1.063 326 T CA 0.911 63.139 62.100 0.213 0.000 1.140 326 T CB -0.215 68.811 68.868 0.264 0.000 0.886 326 T HN 0.377 nan 8.240 nan 0.000 0.470 327 L N 0.213 121.506 121.223 0.116 0.000 2.109 327 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 327 L C 1.291 178.205 176.870 0.074 0.000 1.086 327 L CA 0.465 55.341 54.840 0.060 0.000 0.760 327 L CB -0.640 41.449 42.059 0.050 0.000 0.910 327 L HN 0.320 nan 8.230 nan 0.000 0.437 328 H N 0.835 119.900 119.070 -0.008 0.000 3.216 328 H HA 0.123 4.679 4.556 -0.000 0.000 0.283 328 H C 1.128 176.454 175.328 -0.003 0.000 0.921 328 H CA 0.383 56.420 56.048 -0.018 0.000 1.419 328 H CB 0.095 29.824 29.762 -0.055 0.000 1.460 328 H HN 0.329 nan 8.280 nan 0.000 0.553 329 G N 3.015 111.597 108.800 -0.363 0.000 2.148 329 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 329 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 329 G C 0.670 175.485 174.900 -0.142 0.000 0.981 329 G CA 0.384 45.290 45.100 -0.323 0.000 0.670 329 G HN 1.028 nan 8.290 nan 0.000 0.528 330 G N -0.612 108.134 108.800 -0.090 0.000 2.504 330 G HA2 0.452 4.412 3.960 -0.000 0.000 0.288 330 G HA3 0.452 4.412 3.960 -0.000 0.000 0.288 330 G C 0.029 174.887 174.900 -0.071 0.000 1.182 330 G CA 0.027 45.084 45.100 -0.071 0.000 0.894 330 G HN 0.491 nan 8.290 nan 0.000 0.521 331 N N 1.034 119.690 118.700 -0.073 0.000 2.868 331 N HA 0.060 4.800 4.740 -0.000 0.000 0.252 331 N C 0.317 175.782 175.510 -0.075 0.000 1.130 331 N CA -0.679 52.336 53.050 -0.058 0.000 1.026 331 N CB -0.127 38.325 38.487 -0.058 0.000 1.335 331 N HN 0.144 nan 8.380 nan 0.000 0.516 332 I N 1.525 122.038 120.570 -0.095 0.000 2.664 332 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 332 I C 0.840 176.851 176.117 -0.176 0.000 1.154 332 I CA 0.137 61.314 61.300 -0.205 0.000 1.402 332 I CB -0.498 37.275 38.000 -0.379 0.000 1.395 332 I HN 0.355 nan 8.210 nan 0.000 0.545 333 K N 7.018 127.333 120.400 -0.141 0.000 2.268 333 K HA 0.191 4.511 4.320 -0.000 0.000 0.276 333 K C -0.691 175.835 176.600 -0.124 0.000 1.080 333 K CA -0.262 56.015 56.287 -0.016 0.000 0.910 333 K CB 0.171 32.749 32.500 0.130 0.000 1.163 333 K HN 0.358 nan 8.250 nan 0.000 0.465 334 W N 4.586 125.837 121.300 -0.082 0.000 1.670 334 W HA 0.056 4.716 4.660 -0.000 0.000 0.472 334 W C 0.361 176.752 176.519 -0.214 0.000 0.610 334 W CA -0.382 56.874 57.345 -0.148 0.000 2.501 334 W CB -0.640 28.749 29.460 -0.118 0.000 0.976 334 W HN 0.512 nan 8.180 nan 0.000 0.424 335 S N -0.452 115.125 115.700 -0.205 0.000 2.624 335 S HA 0.263 4.733 4.470 -0.000 0.000 0.263 335 S C -1.439 172.973 174.600 -0.314 0.000 1.287 335 S CA -1.097 56.921 58.200 -0.303 0.000 0.990 335 S CB 1.370 64.176 63.200 -0.657 0.000 0.950 335 S HN -0.044 nan 8.310 nan 0.000 0.561 336 P HA -0.022 nan 4.420 nan 0.000 0.216 336 P C 1.583 178.817 177.300 -0.110 0.000 1.150 336 P CA 1.838 64.857 63.100 -0.135 0.000 0.837 336 P CB -0.265 31.483 31.700 0.080 0.000 0.786 337 A N -0.764 121.977 122.820 -0.131 0.000 1.902 337 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 337 A C 2.233 179.712 177.584 -0.175 0.000 1.181 337 A CA 2.191 54.199 52.037 -0.049 0.000 0.623 337 A CB -1.498 17.445 19.000 -0.095 0.000 0.818 337 A HN 0.112 nan 8.150 nan 0.000 0.443 338 M N -0.380 118.932 119.600 -0.479 0.000 2.159 338 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 338 M C 2.041 178.161 176.300 -0.300 0.000 1.063 338 M CA 1.758 56.850 55.300 -0.348 0.000 1.110 338 M CB -0.656 31.670 32.600 -0.456 0.000 1.374 338 M HN 0.437 nan 8.290 nan 0.000 0.411 339 M N -1.994 117.335 119.600 -0.452 0.000 2.117 339 M HA -0.225 4.255 4.480 -0.000 0.000 0.262 339 M C 1.972 177.795 176.300 -0.795 0.000 1.065 339 M CA 1.916 56.740 55.300 -0.794 0.000 1.114 339 M CB -0.719 31.064 32.600 -1.362 0.000 1.361 339 M HN 0.380 nan 8.290 nan 0.000 0.408 340 W N 0.244 121.260 121.300 -0.473 0.000 2.363 340 W HA -0.117 4.543 4.660 -0.000 0.000 0.296 340 W C 2.731 179.365 176.519 0.190 0.000 1.212 340 W CA 1.095 58.403 57.345 -0.061 0.000 1.260 340 W CB -0.416 29.023 29.460 -0.035 0.000 1.131 340 W HN 0.221 nan 8.180 nan 0.000 0.530 341 A N 0.021 122.982 122.820 0.235 0.000 1.930 341 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 341 A C 1.918 179.621 177.584 0.198 0.000 1.175 341 A CA 1.307 53.423 52.037 0.132 0.000 0.627 341 A CB -0.916 18.049 19.000 -0.059 0.000 0.815 341 A HN 0.291 nan 8.150 nan 0.000 0.443 342 L N -0.873 120.433 121.223 0.139 0.000 2.072 342 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 342 L C 2.819 179.921 176.870 0.386 0.000 1.079 342 L CA 0.997 55.946 54.840 0.181 0.000 0.752 342 L CB -0.836 41.258 42.059 0.058 0.000 0.906 342 L HN 0.472 nan 8.230 nan 0.000 0.436 343 G N -0.165 108.958 108.800 0.539 0.000 2.422 343 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 343 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 343 G C 1.484 176.776 174.900 0.653 0.000 1.146 343 G CA 0.518 46.117 45.100 0.831 0.000 0.769 343 G HN 0.278 nan 8.290 nan 0.000 0.547 344 F N 1.602 121.863 119.950 0.518 0.000 2.069 344 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 344 F C 2.513 178.482 175.800 0.282 0.000 1.113 344 F CA 1.407 59.600 58.000 0.321 0.000 1.214 344 F CB -0.319 38.827 39.000 0.243 0.000 0.978 344 F HN 0.106 nan 8.300 nan 0.000 0.474 345 I N -0.639 120.257 120.570 0.544 0.000 2.151 345 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 345 I C 2.387 178.733 176.117 0.383 0.000 1.080 345 I CA 1.866 63.450 61.300 0.474 0.000 1.339 345 I CB -0.717 37.528 38.000 0.410 0.000 1.039 345 I HN 0.261 nan 8.210 nan 0.000 0.409 346 F N 1.516 121.605 119.950 0.232 0.000 2.098 346 F HA -0.113 4.414 4.527 -0.000 0.000 0.294 346 F C 2.224 178.102 175.800 0.131 0.000 1.107 346 F CA 1.535 59.648 58.000 0.188 0.000 1.234 346 F CB -0.420 38.711 39.000 0.218 0.000 1.002 346 F HN -0.156 nan 8.300 nan 0.000 0.472 347 L N -0.918 120.249 121.223 -0.093 0.000 2.083 347 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 347 L C 2.494 179.228 176.870 -0.226 0.000 1.083 347 L CA 1.557 56.247 54.840 -0.251 0.000 0.752 347 L CB -0.996 40.895 42.059 -0.280 0.000 0.899 347 L HN 0.247 nan 8.230 nan 0.000 0.433 348 F N 0.918 120.637 119.950 -0.385 0.000 2.134 348 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 348 F C 2.457 178.160 175.800 -0.162 0.000 1.097 348 F CA 1.875 59.652 58.000 -0.372 0.000 1.264 348 F CB -0.321 38.254 39.000 -0.709 0.000 1.001 348 F HN -0.093 nan 8.300 nan 0.000 0.479 349 T N 0.236 114.696 114.554 -0.156 0.000 2.720 349 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 349 T C 2.138 176.665 174.700 -0.288 0.000 1.037 349 T CA 1.641 63.642 62.100 -0.166 0.000 1.144 349 T CB -0.592 68.275 68.868 -0.001 0.000 0.864 349 T HN 0.139 nan 8.240 nan 0.000 0.444 350 V N 1.269 120.964 119.914 -0.365 0.000 2.261 350 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 350 V C 2.868 178.763 176.094 -0.332 0.000 1.047 350 V CA 2.081 64.154 62.300 -0.377 0.000 1.015 350 V CB -1.317 30.215 31.823 -0.484 0.000 0.642 350 V HN 0.592 nan 8.190 nan 0.000 0.446 351 G N -0.269 108.352 108.800 -0.297 0.000 2.422 351 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 351 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 351 G C 1.599 176.411 174.900 -0.147 0.000 1.146 351 G CA 0.920 45.899 45.100 -0.201 0.000 0.769 351 G HN 0.596 nan 8.290 nan 0.000 0.547 352 G N 0.826 109.383 108.800 -0.406 0.000 2.402 352 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 352 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 352 G C 1.788 176.588 174.900 -0.168 0.000 1.162 352 G CA 0.620 45.531 45.100 -0.315 0.000 0.777 352 G HN 0.420 nan 8.290 nan 0.000 0.539 353 L N 1.167 122.287 121.223 -0.171 0.000 2.093 353 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 353 L C 3.325 180.131 176.870 -0.108 0.000 1.085 353 L CA 1.720 56.490 54.840 -0.117 0.000 0.755 353 L CB -0.739 41.255 42.059 -0.108 0.000 0.904 353 L HN 0.411 nan 8.230 nan 0.000 0.435 354 T N -3.566 110.915 114.554 -0.122 0.000 2.915 354 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 354 T C 1.915 176.499 174.700 -0.193 0.000 1.071 354 T CA 0.838 62.895 62.100 -0.071 0.000 1.132 354 T CB -0.690 68.090 68.868 -0.147 0.000 0.878 354 T HN 0.382 nan 8.240 nan 0.000 0.479 355 G N 1.837 110.396 108.800 -0.402 0.000 2.422 355 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 355 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 355 G C 1.452 176.146 174.900 -0.344 0.000 1.146 355 G CA 0.551 45.200 45.100 -0.752 0.000 0.769 355 G HN 0.450 nan 8.290 nan 0.000 0.547 356 I N 1.037 121.492 120.570 -0.191 0.000 2.394 356 I HA -0.088 4.082 4.170 -0.000 0.000 0.251 356 I C 2.875 178.932 176.117 -0.100 0.000 1.136 356 I CA 0.599 61.828 61.300 -0.118 0.000 1.425 356 I CB -0.828 37.129 38.000 -0.072 0.000 1.079 356 I HN 0.034 nan 8.210 nan 0.000 0.425 357 V N 0.939 120.804 119.914 -0.082 0.000 2.307 357 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 357 V C 2.529 178.569 176.094 -0.090 0.000 1.045 357 V CA 1.380 63.643 62.300 -0.063 0.000 1.024 357 V CB -0.541 31.287 31.823 0.008 0.000 0.651 357 V HN 0.304 nan 8.190 nan 0.000 0.449 358 L N 0.348 121.517 121.223 -0.090 0.000 2.191 358 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 358 L C 2.615 179.457 176.870 -0.047 0.000 1.103 358 L CA 1.217 56.007 54.840 -0.083 0.000 0.769 358 L CB -0.754 41.227 42.059 -0.129 0.000 0.908 358 L HN 0.353 nan 8.230 nan 0.000 0.438 359 A N -0.456 122.312 122.820 -0.088 0.000 2.070 359 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 359 A C 0.956 178.550 177.584 0.016 0.000 1.159 359 A CA 0.805 52.847 52.037 0.008 0.000 0.656 359 A CB -0.562 18.402 19.000 -0.061 0.000 0.800 359 A HN 0.431 nan 8.150 nan 0.000 0.453 360 N N 1.244 119.888 118.700 -0.094 0.000 2.415 360 N HA 0.089 4.829 4.740 -0.000 0.000 0.250 360 N C 1.177 176.484 175.510 -0.338 0.000 1.127 360 N CA 0.667 53.601 53.050 -0.194 0.000 0.945 360 N CB 1.108 39.508 38.487 -0.145 0.000 1.196 360 N HN 0.520 nan 8.380 nan 0.000 0.499 361 S N 1.406 116.673 115.700 -0.723 0.000 2.387 361 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 361 S C 1.890 176.220 174.600 -0.449 0.000 1.035 361 S CA 1.177 58.740 58.200 -1.062 0.000 1.014 361 S CB -0.129 62.188 63.200 -1.473 0.000 0.836 361 S HN 0.418 nan 8.310 nan 0.000 0.466 362 S N 1.886 117.400 115.700 -0.309 0.000 2.353 362 S HA 0.057 4.527 4.470 -0.000 0.000 0.222 362 S C 1.809 176.326 174.600 -0.139 0.000 1.035 362 S CA 1.449 59.540 58.200 -0.182 0.000 1.025 362 S CB -0.599 62.515 63.200 -0.144 0.000 0.902 362 S HN 0.454 nan 8.310 nan 0.000 0.440 363 L N 0.908 122.044 121.223 -0.146 0.000 2.109 363 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 363 L C 2.198 179.005 176.870 -0.105 0.000 1.086 363 L CA 1.341 56.105 54.840 -0.127 0.000 0.760 363 L CB -0.437 41.534 42.059 -0.148 0.000 0.910 363 L HN 0.300 nan 8.230 nan 0.000 0.437 364 D N -0.129 120.218 120.400 -0.088 0.000 2.263 364 D HA -0.205 4.435 4.640 -0.000 0.000 0.208 364 D C 2.123 178.461 176.300 0.063 0.000 0.971 364 D CA 0.695 54.705 54.000 0.016 0.000 0.867 364 D CB 0.218 41.106 40.800 0.148 0.000 0.929 364 D HN 0.105 nan 8.370 nan 0.000 0.492 365 I N 0.208 120.782 120.570 0.006 0.000 2.151 365 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 365 I C 2.247 178.398 176.117 0.057 0.000 1.080 365 I CA 0.912 62.235 61.300 0.038 0.000 1.339 365 I CB -1.058 36.940 38.000 -0.002 0.000 1.039 365 I HN 0.071 nan 8.210 nan 0.000 0.409 366 V N 0.336 120.256 119.914 0.011 0.000 2.788 366 V HA -0.096 4.024 4.120 -0.000 0.000 0.251 366 V C 2.308 178.400 176.094 -0.004 0.000 1.068 366 V CA 0.875 63.176 62.300 0.003 0.000 1.090 366 V CB -0.243 31.565 31.823 -0.025 0.000 0.710 366 V HN 0.303 nan 8.190 nan 0.000 0.467 367 L N -1.198 120.013 121.223 -0.020 0.000 2.416 367 L HA 0.164 4.504 4.340 -0.000 0.000 0.216 367 L C 1.294 178.194 176.870 0.050 0.000 1.098 367 L CA 0.032 54.854 54.840 -0.029 0.000 0.840 367 L CB -0.425 41.545 42.059 -0.148 0.000 0.981 367 L HN 0.359 nan 8.230 nan 0.000 0.462 368 H N 1.269 120.350 119.070 0.018 0.000 2.972 368 H HA -0.105 4.451 4.556 -0.000 0.000 0.343 368 H C 0.464 175.814 175.328 0.036 0.000 1.054 368 H CA 0.494 56.566 56.048 0.040 0.000 1.412 368 H CB 0.139 29.935 29.762 0.057 0.000 1.385 368 H HN 0.118 nan 8.280 nan 0.000 0.600 369 D N 2.114 122.027 120.400 -0.812 0.000 2.837 369 D HA -0.203 4.437 4.640 -0.000 0.000 0.230 369 D C -0.408 175.742 176.300 -0.250 0.000 1.152 369 D CA 1.445 55.127 54.000 -0.531 0.000 0.736 369 D CB -0.863 39.627 40.800 -0.517 0.000 1.084 369 D HN 0.760 nan 8.370 nan 0.000 0.429 370 T N -4.199 110.262 114.554 -0.156 0.000 2.926 370 T HA 0.436 4.786 4.350 -0.000 0.000 0.289 370 T C 0.991 175.655 174.700 -0.060 0.000 1.054 370 T CA -0.752 61.303 62.100 -0.075 0.000 1.015 370 T CB 0.971 69.835 68.868 -0.006 0.000 1.167 370 T HN -0.046 nan 8.240 nan 0.000 0.526 371 Y N -0.454 119.787 120.300 -0.098 0.000 2.680 371 Y HA 0.044 4.594 4.550 -0.000 0.000 0.303 371 Y C 1.885 177.707 175.900 -0.129 0.000 1.166 371 Y CA 0.615 58.646 58.100 -0.115 0.000 1.344 371 Y CB -0.418 37.951 38.460 -0.152 0.000 1.002 371 Y HN 0.827 nan 8.280 nan 0.000 0.537 372 Y N -1.048 119.208 120.300 -0.072 0.000 2.293 372 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 372 Y C 2.110 177.937 175.900 -0.122 0.000 1.137 372 Y CA 1.275 59.306 58.100 -0.115 0.000 1.202 372 Y CB -0.195 38.228 38.460 -0.061 0.000 0.990 372 Y HN -0.092 nan 8.280 nan 0.000 0.537 373 V N -1.250 118.705 119.914 0.067 0.000 2.358 373 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 373 V C 2.219 178.241 176.094 -0.121 0.000 1.047 373 V CA 1.641 64.003 62.300 0.103 0.000 1.035 373 V CB -0.711 31.215 31.823 0.172 0.000 0.658 373 V HN 0.281 nan 8.190 nan 0.000 0.452 374 V N 0.531 120.220 119.914 -0.375 0.000 2.407 374 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 374 V C 2.682 178.308 176.094 -0.780 0.000 1.055 374 V CA 1.937 63.683 62.300 -0.924 0.000 1.049 374 V CB -1.185 30.261 31.823 -0.630 0.000 0.662 374 V HN 0.550 nan 8.190 nan 0.000 0.455 375 A N -0.017 122.489 122.820 -0.523 0.000 1.873 375 A HA -0.268 4.052 4.320 -0.000 0.000 0.215 375 A C 2.146 179.430 177.584 -0.500 0.000 1.186 375 A CA 2.135 53.823 52.037 -0.582 0.000 0.616 375 A CB -0.829 17.504 19.000 -1.112 0.000 0.823 375 A HN 0.745 nan 8.150 nan 0.000 0.442 376 H N 0.363 119.109 119.070 -0.540 0.000 2.267 376 H HA -0.224 4.332 4.556 -0.000 0.000 0.297 376 H C 1.677 176.879 175.328 -0.209 0.000 1.080 376 H CA 2.459 58.306 56.048 -0.337 0.000 1.278 376 H CB -0.847 28.791 29.762 -0.207 0.000 1.365 376 H HN 0.597 nan 8.280 nan 0.000 0.489 377 F N -1.411 118.141 119.950 -0.664 0.000 2.407 377 F HA 0.060 4.587 4.527 -0.000 0.000 0.299 377 F C 1.885 177.278 175.800 -0.678 0.000 1.097 377 F CA 0.953 58.490 58.000 -0.770 0.000 1.422 377 F CB -0.736 37.921 39.000 -0.571 0.000 1.067 377 F HN 0.184 nan 8.300 nan 0.000 0.539 378 H N -1.710 116.939 119.070 -0.700 0.000 2.470 378 H HA 0.002 4.558 4.556 -0.000 0.000 0.289 378 H C 1.413 176.322 175.328 -0.699 0.000 1.033 378 H CA 1.638 57.160 56.048 -0.876 0.000 1.331 378 H CB -0.240 28.417 29.762 -1.843 0.000 1.414 378 H HN 0.249 nan 8.280 nan 0.000 0.545 379 Y N 0.029 120.023 120.300 -0.509 0.000 2.220 379 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 379 Y C 2.507 178.191 175.900 -0.360 0.000 1.129 379 Y CA 1.316 59.184 58.100 -0.386 0.000 1.161 379 Y CB -0.235 38.033 38.460 -0.320 0.000 0.997 379 Y HN 0.146 nan 8.280 nan 0.000 0.522 380 V N -2.754 117.018 119.914 -0.236 0.000 2.719 380 V HA -0.116 4.004 4.120 -0.000 0.000 0.252 380 V C 1.705 177.733 176.094 -0.109 0.000 1.065 380 V CA 1.382 63.580 62.300 -0.171 0.000 1.086 380 V CB -0.639 31.048 31.823 -0.226 0.000 0.700 380 V HN 0.334 nan 8.190 nan 0.000 0.467 381 L N -0.196 120.907 121.223 -0.200 0.000 2.347 381 L HA 0.185 4.525 4.340 -0.000 0.000 0.196 381 L C 2.631 179.435 176.870 -0.109 0.000 1.072 381 L CA 1.245 55.987 54.840 -0.164 0.000 0.817 381 L CB -0.366 41.546 42.059 -0.246 0.000 1.029 381 L HN 0.263 nan 8.230 nan 0.000 0.478 382 S N -0.926 114.675 115.700 -0.165 0.000 2.561 382 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 382 S C 1.602 176.175 174.600 -0.045 0.000 0.977 382 S CA 0.791 58.965 58.200 -0.044 0.000 0.926 382 S CB 0.117 63.307 63.200 -0.018 0.000 0.769 382 S HN 0.236 nan 8.310 nan 0.000 0.533 383 M N -1.309 118.148 119.600 -0.238 0.000 2.724 383 M HA 0.271 4.751 4.480 -0.000 0.000 0.231 383 M C 2.216 178.295 176.300 -0.369 0.000 1.568 383 M CA 0.657 55.620 55.300 -0.561 0.000 1.153 383 M CB -0.532 31.596 32.600 -0.786 0.000 1.345 383 M HN 0.292 nan 8.290 nan 0.000 0.555 384 G N 0.728 109.412 108.800 -0.193 0.000 2.556 384 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 384 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 384 G C 1.544 176.669 174.900 0.375 0.000 1.258 384 G CA 1.158 46.228 45.100 -0.050 0.000 0.811 384 G HN 0.449 nan 8.290 nan 0.000 0.557 385 A N -0.227 122.729 122.820 0.227 0.000 1.873 385 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 385 A C 2.633 180.346 177.584 0.215 0.000 1.193 385 A CA 2.356 54.506 52.037 0.188 0.000 0.629 385 A CB -0.947 18.073 19.000 0.034 0.000 0.826 385 A HN 0.340 nan 8.150 nan 0.000 0.447 386 V N -1.314 118.730 119.914 0.217 0.000 2.343 386 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 386 V C 2.325 178.622 176.094 0.338 0.000 1.051 386 V CA 2.019 64.465 62.300 0.243 0.000 1.036 386 V CB -0.883 31.099 31.823 0.265 0.000 0.654 386 V HN 0.627 nan 8.190 nan 0.000 0.451 387 F N 0.168 120.255 119.950 0.228 0.000 2.186 387 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 387 F C 2.473 178.395 175.800 0.204 0.000 1.090 387 F CA 0.825 59.035 58.000 0.350 0.000 1.307 387 F CB -0.347 39.047 39.000 0.656 0.000 1.019 387 F HN 0.150 nan 8.300 nan 0.000 0.489 388 A N 0.556 123.618 122.820 0.404 0.000 1.902 388 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 388 A C 2.107 179.678 177.584 -0.022 0.000 1.181 388 A CA 1.423 53.498 52.037 0.064 0.000 0.623 388 A CB -0.977 17.997 19.000 -0.042 0.000 0.818 388 A HN 0.390 nan 8.150 nan 0.000 0.443 389 I N -0.812 119.780 120.570 0.035 0.000 2.179 389 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 389 I C 2.590 178.712 176.117 0.009 0.000 1.088 389 I CA 1.181 62.513 61.300 0.054 0.000 1.357 389 I CB -0.241 37.837 38.000 0.131 0.000 1.051 389 I HN 0.261 nan 8.210 nan 0.000 0.409 390 M N 0.203 119.655 119.600 -0.247 0.000 2.117 390 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 390 M C 2.399 178.394 176.300 -0.509 0.000 1.065 390 M CA 1.818 56.754 55.300 -0.607 0.000 1.114 390 M CB -2.002 29.539 32.600 -1.764 0.000 1.361 390 M HN 0.299 nan 8.290 nan 0.000 0.408 391 G N -0.298 108.279 108.800 -0.372 0.000 2.421 391 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 391 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 391 G C 1.596 176.508 174.900 0.020 0.000 1.171 391 G CA 1.056 46.130 45.100 -0.043 0.000 0.775 391 G HN 0.551 nan 8.290 nan 0.000 0.543 392 G N 0.128 108.911 108.800 -0.028 0.000 2.422 392 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 392 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 392 G C 1.606 176.718 174.900 0.353 0.000 1.146 392 G CA 0.857 45.973 45.100 0.026 0.000 0.769 392 G HN 0.342 nan 8.290 nan 0.000 0.547 393 F N 1.825 121.959 119.950 0.306 0.000 2.075 393 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 393 F C 2.756 178.702 175.800 0.244 0.000 1.113 393 F CA 1.958 60.227 58.000 0.448 0.000 1.218 393 F CB -0.435 38.746 39.000 0.301 0.000 0.984 393 F HN 0.070 nan 8.300 nan 0.000 0.472 394 V N -1.243 118.758 119.914 0.145 0.000 2.515 394 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 394 V C 2.421 178.542 176.094 0.045 0.000 1.058 394 V CA 2.334 64.656 62.300 0.037 0.000 1.064 394 V CB -1.301 30.627 31.823 0.176 0.000 0.675 394 V HN 0.528 nan 8.190 nan 0.000 0.461 395 H N -0.685 118.359 119.070 -0.043 0.000 2.321 395 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 395 H C 1.819 177.047 175.328 -0.168 0.000 1.087 395 H CA 2.431 58.386 56.048 -0.154 0.000 1.319 395 H CB -0.304 29.215 29.762 -0.405 0.000 1.379 395 H HN 0.574 nan 8.280 nan 0.000 0.501 396 W N -0.355 120.704 121.300 -0.400 0.000 3.197 396 W HA 0.041 4.701 4.660 -0.000 0.000 0.274 396 W C 1.616 177.455 176.519 -1.134 0.000 1.297 396 W CA -0.210 56.591 57.345 -0.907 0.000 1.662 396 W CB -0.794 27.991 29.460 -1.125 0.000 1.106 396 W HN 0.206 nan 8.180 nan 0.000 0.663 397 F N 2.794 122.340 119.950 -0.674 0.000 2.120 397 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 397 F C -0.783 174.737 175.800 -0.467 0.000 1.095 397 F CA 1.840 59.426 58.000 -0.690 0.000 1.249 397 F CB -1.430 37.102 39.000 -0.779 0.000 0.995 397 F HN -0.255 nan 8.300 nan 0.000 0.480 398 P HA -0.180 nan 4.420 nan 0.000 0.218 398 P C 1.807 178.940 177.300 -0.278 0.000 1.148 398 P CA 1.325 64.306 63.100 -0.199 0.000 0.822 398 P CB -0.119 31.642 31.700 0.102 0.000 0.784 399 L N -1.686 119.260 121.223 -0.462 0.000 2.027 399 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 399 L C 1.969 178.503 176.870 -0.560 0.000 1.074 399 L CA 2.028 56.462 54.840 -0.677 0.000 0.745 399 L CB -1.277 39.943 42.059 -1.398 0.000 0.898 399 L HN -0.163 nan 8.230 nan 0.000 0.433 400 F N -0.249 119.200 119.950 -0.835 0.000 2.206 400 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 400 F C 2.818 178.272 175.800 -0.576 0.000 1.090 400 F CA 1.047 58.421 58.000 -1.044 0.000 1.323 400 F CB -1.616 36.709 39.000 -1.124 0.000 1.028 400 F HN 0.390 nan 8.300 nan 0.000 0.492 401 S N -1.537 113.836 115.700 -0.544 0.000 2.475 401 S HA 0.408 4.878 4.470 -0.000 0.000 0.224 401 S C 1.867 176.106 174.600 -0.600 0.000 1.042 401 S CA 0.553 58.434 58.200 -0.532 0.000 0.935 401 S CB 0.292 62.939 63.200 -0.921 0.000 0.801 401 S HN 0.529 nan 8.310 nan 0.000 0.509 402 G N -0.051 108.430 108.800 -0.531 0.000 2.175 402 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 402 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 402 G C -0.222 174.427 174.900 -0.418 0.000 0.982 402 G CA 0.302 45.141 45.100 -0.436 0.000 0.641 402 G HN 0.521 nan 8.290 nan 0.000 0.527 403 Y N 0.938 121.118 120.300 -0.199 0.000 2.587 403 Y HA 0.719 5.269 4.550 -0.000 0.000 0.337 403 Y C 0.911 176.794 175.900 -0.029 0.000 1.065 403 Y CA -0.709 57.330 58.100 -0.102 0.000 1.126 403 Y CB 1.469 39.868 38.460 -0.101 0.000 1.279 403 Y HN 0.303 nan 8.280 nan 0.000 0.489 404 T N -0.440 114.253 114.554 0.233 0.000 2.925 404 T HA 0.775 5.125 4.350 -0.000 0.000 0.285 404 T C -0.416 174.375 174.700 0.152 0.000 1.021 404 T CA -0.851 61.354 62.100 0.175 0.000 1.042 404 T CB 0.930 69.861 68.868 0.106 0.000 1.037 404 T HN 0.479 nan 8.240 nan 0.000 0.481 405 L N 1.668 122.952 121.223 0.102 0.000 2.431 405 L HA 0.453 4.793 4.340 -0.000 0.000 0.260 405 L C 0.993 177.891 176.870 0.046 0.000 1.098 405 L CA -1.185 53.652 54.840 -0.005 0.000 0.800 405 L CB 0.649 42.662 42.059 -0.077 0.000 1.210 405 L HN 0.717 nan 8.230 nan 0.000 0.465 406 N N 0.698 119.444 118.700 0.078 0.000 2.415 406 N HA -0.015 4.725 4.740 -0.000 0.000 0.246 406 N C 0.037 175.649 175.510 0.171 0.000 1.078 406 N CA -0.112 53.032 53.050 0.156 0.000 0.942 406 N CB 1.131 39.813 38.487 0.324 0.000 1.140 406 N HN 0.544 nan 8.380 nan 0.000 0.501 407 D N 2.267 122.731 120.400 0.107 0.000 2.133 407 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 407 D C 1.232 177.591 176.300 0.099 0.000 0.997 407 D CA 1.645 55.700 54.000 0.093 0.000 0.840 407 D CB 0.226 41.057 40.800 0.051 0.000 0.947 407 D HN 0.555 nan 8.370 nan 0.000 0.452 408 T N -0.945 113.643 114.554 0.057 0.000 2.708 408 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 408 T C 1.739 176.484 174.700 0.074 0.000 1.037 408 T CA 1.032 63.128 62.100 -0.007 0.000 1.146 408 T CB -0.563 68.225 68.868 -0.133 0.000 0.865 408 T HN 0.350 nan 8.240 nan 0.000 0.435 409 W N 1.314 122.680 121.300 0.109 0.000 2.338 409 W HA -0.084 4.576 4.660 -0.000 0.000 0.304 409 W C 2.878 179.512 176.519 0.193 0.000 1.212 409 W CA 0.585 58.026 57.345 0.161 0.000 1.264 409 W CB -0.326 29.238 29.460 0.174 0.000 1.142 409 W HN 0.220 nan 8.180 nan 0.000 0.512 410 A N 0.319 123.392 122.820 0.422 0.000 1.940 410 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 410 A C 1.810 179.613 177.584 0.365 0.000 1.176 410 A CA 1.904 54.179 52.037 0.397 0.000 0.631 410 A CB -0.605 18.571 19.000 0.294 0.000 0.814 410 A HN 0.322 nan 8.150 nan 0.000 0.446 411 K N -0.633 119.906 120.400 0.230 0.000 2.103 411 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 411 K C 1.729 178.440 176.600 0.185 0.000 1.052 411 K CA 1.255 57.632 56.287 0.151 0.000 0.945 411 K CB -0.283 32.254 32.500 0.062 0.000 0.722 411 K HN 0.515 nan 8.250 nan 0.000 0.443 412 I N 0.633 121.334 120.570 0.219 0.000 2.226 412 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 412 I C 2.668 178.939 176.117 0.257 0.000 1.100 412 I CA 1.268 62.697 61.300 0.215 0.000 1.374 412 I CB -0.393 37.778 38.000 0.284 0.000 1.057 412 I HN 0.338 nan 8.210 nan 0.000 0.413 413 H N 0.721 119.959 119.070 0.280 0.000 2.319 413 H HA -0.289 4.267 4.556 -0.000 0.000 0.299 413 H C 2.292 177.739 175.328 0.199 0.000 1.092 413 H CA 2.274 58.492 56.048 0.283 0.000 1.302 413 H CB -0.200 29.784 29.762 0.369 0.000 1.373 413 H HN 0.334 nan 8.280 nan 0.000 0.497 414 F N 1.580 121.386 119.950 -0.241 0.000 2.095 414 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 414 F C 2.639 178.194 175.800 -0.409 0.000 1.104 414 F CA 1.754 59.298 58.000 -0.759 0.000 1.232 414 F CB -0.881 37.549 39.000 -0.950 0.000 0.987 414 F HN 0.235 nan 8.300 nan 0.000 0.475 415 A N 0.906 123.476 122.820 -0.417 0.000 1.877 415 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 415 A C 2.319 179.782 177.584 -0.201 0.000 1.186 415 A CA 2.101 53.928 52.037 -0.351 0.000 0.620 415 A CB -1.292 17.642 19.000 -0.110 0.000 0.822 415 A HN 0.518 nan 8.150 nan 0.000 0.443 416 I N -1.547 118.966 120.570 -0.095 0.000 2.179 416 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 416 I C 2.648 178.748 176.117 -0.028 0.000 1.088 416 I CA 1.930 63.224 61.300 -0.010 0.000 1.357 416 I CB -0.321 37.725 38.000 0.076 0.000 1.051 416 I HN 0.365 nan 8.210 nan 0.000 0.409 417 M N 0.579 120.122 119.600 -0.095 0.000 2.108 417 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 417 M C 2.115 178.417 176.300 0.003 0.000 1.066 417 M CA 1.858 57.143 55.300 -0.025 0.000 1.107 417 M CB -0.712 31.877 32.600 -0.019 0.000 1.356 417 M HN 0.196 nan 8.290 nan 0.000 0.406 418 F N -0.529 119.235 119.950 -0.311 0.000 2.095 418 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 418 F C 1.881 177.636 175.800 -0.075 0.000 1.104 418 F CA 1.878 59.757 58.000 -0.202 0.000 1.232 418 F CB -0.417 38.214 39.000 -0.614 0.000 0.987 418 F HN -0.016 nan 8.300 nan 0.000 0.475 419 V N 0.191 120.154 119.914 0.081 0.000 2.270 419 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 419 V C 2.758 178.841 176.094 -0.017 0.000 1.043 419 V CA 1.930 64.262 62.300 0.054 0.000 1.014 419 V CB -1.651 30.210 31.823 0.064 0.000 0.645 419 V HN 0.532 nan 8.190 nan 0.000 0.447 420 G N 0.719 109.516 108.800 -0.005 0.000 2.459 420 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 420 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 420 G C 1.761 176.621 174.900 -0.066 0.000 1.183 420 G CA 1.838 46.930 45.100 -0.014 0.000 0.776 420 G HN 0.576 nan 8.290 nan 0.000 0.552 421 V N -0.734 119.157 119.914 -0.038 0.000 2.427 421 V HA -0.143 3.978 4.120 -0.000 0.000 0.248 421 V C 2.231 178.263 176.094 -0.104 0.000 1.051 421 V CA 2.108 64.393 62.300 -0.024 0.000 1.048 421 V CB -0.687 31.191 31.823 0.093 0.000 0.666 421 V HN 0.289 nan 8.190 nan 0.000 0.456 422 N N 0.075 118.664 118.700 -0.185 0.000 2.244 422 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 422 N C 1.843 177.356 175.510 0.004 0.000 1.016 422 N CA 2.014 54.988 53.050 -0.126 0.000 0.866 422 N CB -0.177 38.172 38.487 -0.230 0.000 0.980 422 N HN 0.585 nan 8.380 nan 0.000 0.430 423 M N 0.743 120.320 119.600 -0.037 0.000 2.254 423 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 423 M C 1.617 177.873 176.300 -0.073 0.000 1.066 423 M CA 1.179 56.480 55.300 0.002 0.000 1.123 423 M CB -0.005 32.598 32.600 0.004 0.000 1.388 423 M HN -0.029 nan 8.290 nan 0.000 0.425 424 T N 0.156 114.559 114.554 -0.252 0.000 2.770 424 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 424 T C 1.155 175.481 174.700 -0.622 0.000 1.039 424 T CA 1.567 63.329 62.100 -0.563 0.000 1.142 424 T CB -0.316 67.911 68.868 -1.068 0.000 0.868 424 T HN 0.426 nan 8.240 nan 0.000 0.435 425 F N -0.564 119.345 119.950 -0.069 0.000 2.656 425 F HA 0.322 4.849 4.527 -0.000 0.000 0.291 425 F C 1.801 177.623 175.800 0.037 0.000 1.122 425 F CA -0.523 57.442 58.000 -0.059 0.000 1.427 425 F CB -0.284 38.658 39.000 -0.096 0.000 1.125 425 F HN 0.017 nan 8.300 nan 0.000 0.583 426 F N 2.939 122.989 119.950 0.167 0.000 2.095 426 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 426 F C -0.870 174.773 175.800 -0.261 0.000 1.104 426 F CA 1.189 59.246 58.000 0.096 0.000 1.232 426 F CB -1.670 37.348 39.000 0.030 0.000 0.987 426 F HN -0.148 nan 8.300 nan 0.000 0.475 427 P HA -0.168 nan 4.420 nan 0.000 0.222 427 P C 1.153 178.115 177.300 -0.563 0.000 1.147 427 P CA 1.572 64.311 63.100 -0.602 0.000 0.790 427 P CB -0.216 31.457 31.700 -0.046 0.000 0.780 428 Q N -1.724 117.850 119.800 -0.377 0.000 2.364 428 Q HA -0.195 4.145 4.340 -0.000 0.000 0.209 428 Q C 1.672 177.445 176.000 -0.378 0.000 0.977 428 Q CA 1.110 56.748 55.803 -0.276 0.000 0.885 428 Q CB -0.636 28.051 28.738 -0.085 0.000 0.941 428 Q HN 0.529 nan 8.270 nan 0.000 0.464 429 H N -0.747 117.954 119.070 -0.615 0.000 2.357 429 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 429 H C 1.458 176.634 175.328 -0.253 0.000 1.082 429 H CA 1.589 57.302 56.048 -0.557 0.000 1.342 429 H CB -0.008 29.226 29.762 -0.880 0.000 1.389 429 H HN 0.192 nan 8.280 nan 0.000 0.511 430 F N 0.436 120.237 119.950 -0.248 0.000 2.075 430 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 430 F C 2.295 178.069 175.800 -0.044 0.000 1.113 430 F CA 0.900 58.751 58.000 -0.248 0.000 1.218 430 F CB -1.141 37.434 39.000 -0.709 0.000 0.984 430 F HN 0.076 nan 8.300 nan 0.000 0.472 431 L N -0.245 121.054 121.223 0.126 0.000 2.079 431 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 431 L C 2.721 179.620 176.870 0.049 0.000 1.081 431 L CA 1.475 56.364 54.840 0.082 0.000 0.752 431 L CB -1.392 40.588 42.059 -0.133 0.000 0.896 431 L HN 0.304 nan 8.230 nan 0.000 0.433 432 G N -0.031 108.829 108.800 0.100 0.000 2.414 432 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 432 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 432 G C 1.594 176.575 174.900 0.135 0.000 1.188 432 G CA 0.415 45.606 45.100 0.150 0.000 0.783 432 G HN 0.224 nan 8.290 nan 0.000 0.537 433 L N 1.642 122.967 121.223 0.171 0.000 2.079 433 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 433 L C 3.022 179.958 176.870 0.110 0.000 1.081 433 L CA 1.550 56.447 54.840 0.094 0.000 0.752 433 L CB -0.411 41.719 42.059 0.118 0.000 0.896 433 L HN 0.417 nan 8.230 nan 0.000 0.433 434 S N -0.776 115.033 115.700 0.182 0.000 2.603 434 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 434 S C 1.430 176.200 174.600 0.283 0.000 0.967 434 S CA 0.333 58.682 58.200 0.247 0.000 0.920 434 S CB 0.306 63.721 63.200 0.358 0.000 0.773 434 S HN 0.579 nan 8.310 nan 0.000 0.529 435 G N 1.023 109.911 108.800 0.146 0.000 2.144 435 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 435 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 435 G C -0.099 174.747 174.900 -0.091 0.000 0.988 435 G CA 0.042 45.193 45.100 0.084 0.000 0.659 435 G HN 0.578 nan 8.290 nan 0.000 0.522 436 M N 1.762 121.143 119.600 -0.365 0.000 2.251 436 M HA 0.352 4.832 4.480 -0.000 0.000 0.346 436 M C -2.075 174.085 176.300 -0.233 0.000 1.499 436 M CA -1.390 53.550 55.300 -0.601 0.000 1.128 436 M CB 0.577 32.661 32.600 -0.860 0.000 1.809 436 M HN -0.023 nan 8.290 nan 0.000 0.464 437 P HA 0.148 nan 4.420 nan 0.000 0.272 437 P C -1.067 176.028 177.300 -0.343 0.000 1.230 437 P CA -0.024 62.790 63.100 -0.477 0.000 0.788 437 P CB 0.548 31.645 31.700 -1.006 0.000 0.949 438 R N 1.509 121.849 120.500 -0.266 0.000 2.560 438 R HA 0.366 4.706 4.340 -0.000 0.000 0.270 438 R C 0.464 176.768 176.300 0.006 0.000 1.074 438 R CA -0.467 55.520 56.100 -0.189 0.000 1.140 438 R CB 0.175 30.357 30.300 -0.197 0.000 1.073 438 R HN 0.400 nan 8.270 nan 0.000 0.527 439 R N -0.420 120.195 120.500 0.192 0.000 3.770 439 R HA -0.225 4.115 4.340 -0.000 0.000 0.305 439 R C -1.084 175.588 176.300 0.621 0.000 1.184 439 R CA 0.804 57.139 56.100 0.392 0.000 0.823 439 R CB -2.030 28.417 30.300 0.245 0.000 1.285 439 R HN 0.570 nan 8.270 nan 0.000 0.499 440 Y N -0.555 119.913 120.300 0.281 0.000 2.330 440 Y HA 0.150 4.700 4.550 -0.000 0.000 0.336 440 Y C 1.695 177.452 175.900 -0.238 0.000 1.036 440 Y CA -0.309 57.848 58.100 0.095 0.000 1.125 440 Y CB 1.615 40.151 38.460 0.126 0.000 1.194 440 Y HN 0.174 nan 8.280 nan 0.000 0.469 441 S N 0.091 115.558 115.700 -0.388 0.000 2.528 441 S HA 0.022 4.492 4.470 -0.000 0.000 0.219 441 S C -0.112 174.270 174.600 -0.363 0.000 0.985 441 S CA 0.316 58.019 58.200 -0.827 0.000 0.914 441 S CB 0.190 63.063 63.200 -0.545 0.000 0.776 441 S HN 0.685 nan 8.310 nan 0.000 0.526 442 D N -0.403 119.882 120.400 -0.191 0.000 2.609 442 D HA 0.519 5.159 4.640 -0.000 0.000 0.239 442 D C -1.608 174.665 176.300 -0.045 0.000 1.229 442 D CA -0.743 53.104 54.000 -0.255 0.000 0.808 442 D CB 1.764 42.398 40.800 -0.277 0.000 1.448 442 D HN 0.246 nan 8.370 nan 0.000 0.433 443 Y N -1.568 118.789 120.300 0.094 0.000 2.615 443 Y HA 0.765 5.315 4.550 -0.000 0.000 0.341 443 Y C -2.677 173.356 175.900 0.221 0.000 1.089 443 Y CA -2.503 55.729 58.100 0.221 0.000 1.049 443 Y CB -0.143 38.452 38.460 0.224 0.000 1.296 443 Y HN 0.047 nan 8.280 nan 0.000 0.470 444 P HA 0.068 nan 4.420 nan 0.000 0.267 444 P C 0.032 177.477 177.300 0.241 0.000 1.200 444 P CA 0.238 63.499 63.100 0.268 0.000 0.772 444 P CB 0.832 32.676 31.700 0.241 0.000 0.855 445 D N 1.750 122.195 120.400 0.074 0.000 2.172 445 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 445 D C 1.871 178.164 176.300 -0.012 0.000 0.999 445 D CA 1.936 55.963 54.000 0.044 0.000 0.856 445 D CB -0.633 40.159 40.800 -0.014 0.000 0.934 445 D HN 0.389 nan 8.370 nan 0.000 0.453 446 A N -0.010 122.708 122.820 -0.169 0.000 2.024 446 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 446 A C 1.430 178.847 177.584 -0.278 0.000 1.164 446 A CA 1.049 52.912 52.037 -0.290 0.000 0.643 446 A CB -0.901 17.834 19.000 -0.443 0.000 0.806 446 A HN 0.301 nan 8.150 nan 0.000 0.451 447 Y N 0.410 120.739 120.300 0.048 0.000 2.529 447 Y HA 0.037 4.587 4.550 -0.000 0.000 0.290 447 Y C 2.392 178.178 175.900 -0.190 0.000 1.177 447 Y CA 0.610 58.669 58.100 -0.068 0.000 1.305 447 Y CB -1.157 37.219 38.460 -0.141 0.000 1.047 447 Y HN 0.227 nan 8.280 nan 0.000 0.522 448 T N 0.071 114.669 114.554 0.074 0.000 2.746 448 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 448 T C 2.069 176.717 174.700 -0.088 0.000 1.039 448 T CA 1.711 63.861 62.100 0.082 0.000 1.142 448 T CB -0.240 68.693 68.868 0.107 0.000 0.866 448 T HN 0.449 nan 8.240 nan 0.000 0.444 449 M N -0.275 119.167 119.600 -0.263 0.000 2.065 449 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 449 M C 1.948 178.090 176.300 -0.263 0.000 1.071 449 M CA 1.941 56.996 55.300 -0.409 0.000 1.109 449 M CB -0.290 31.826 32.600 -0.807 0.000 1.313 449 M HN 0.405 nan 8.290 nan 0.000 0.408 450 W N 0.441 121.742 121.300 0.001 0.000 2.363 450 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 450 W C 2.180 178.641 176.519 -0.096 0.000 1.212 450 W CA 0.179 57.527 57.345 0.004 0.000 1.260 450 W CB -0.706 28.795 29.460 0.067 0.000 1.131 450 W HN 0.336 nan 8.180 nan 0.000 0.530 451 N N -0.075 118.621 118.700 -0.007 0.000 2.244 451 N HA -0.106 4.635 4.740 -0.000 0.000 0.183 451 N C 1.508 176.999 175.510 -0.031 0.000 1.016 451 N CA 1.863 54.822 53.050 -0.152 0.000 0.866 451 N CB -0.465 37.747 38.487 -0.458 0.000 0.980 451 N HN 0.120 nan 8.380 nan 0.000 0.430 452 T N 1.716 116.273 114.554 0.005 0.000 2.737 452 T HA 0.041 4.391 4.350 -0.000 0.000 0.265 452 T C 2.142 176.860 174.700 0.030 0.000 1.038 452 T CA 0.599 62.711 62.100 0.019 0.000 1.144 452 T CB -0.037 68.830 68.868 -0.002 0.000 0.866 452 T HN 0.161 nan 8.240 nan 0.000 0.434 453 I N 1.070 121.686 120.570 0.075 0.000 2.226 453 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 453 I C 2.791 178.947 176.117 0.065 0.000 1.100 453 I CA 0.945 62.310 61.300 0.109 0.000 1.374 453 I CB -0.418 37.727 38.000 0.242 0.000 1.057 453 I HN 0.238 nan 8.210 nan 0.000 0.413 454 S N 0.265 115.989 115.700 0.040 0.000 2.368 454 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 454 S C 2.210 176.763 174.600 -0.079 0.000 1.030 454 S CA 2.082 60.242 58.200 -0.066 0.000 0.999 454 S CB -0.180 62.953 63.200 -0.112 0.000 0.844 454 S HN 0.404 nan 8.310 nan 0.000 0.459 455 S N 0.937 116.629 115.700 -0.013 0.000 2.402 455 S HA 0.059 4.529 4.470 -0.000 0.000 0.229 455 S C 1.823 176.495 174.600 0.120 0.000 1.021 455 S CA 1.272 59.505 58.200 0.053 0.000 0.974 455 S CB -0.313 62.934 63.200 0.079 0.000 0.800 455 S HN 0.518 nan 8.310 nan 0.000 0.484 456 M N 0.885 120.515 119.600 0.050 0.000 2.156 456 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 456 M C 2.492 178.845 176.300 0.088 0.000 1.067 456 M CA 1.362 56.688 55.300 0.044 0.000 1.131 456 M CB -0.752 31.848 32.600 0.000 0.000 1.368 456 M HN 0.444 nan 8.290 nan 0.000 0.416 457 G N 0.001 108.815 108.800 0.024 0.000 2.440 457 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 457 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 457 G C 1.607 176.491 174.900 -0.028 0.000 1.154 457 G CA 1.339 46.426 45.100 -0.021 0.000 0.767 457 G HN 0.556 nan 8.290 nan 0.000 0.552 458 S N -0.232 115.440 115.700 -0.046 0.000 2.419 458 S HA -0.011 4.459 4.470 -0.000 0.000 0.233 458 S C 2.080 176.676 174.600 -0.007 0.000 1.016 458 S CA 1.005 59.164 58.200 -0.068 0.000 0.974 458 S CB -0.497 62.645 63.200 -0.096 0.000 0.786 458 S HN 0.278 nan 8.310 nan 0.000 0.492 459 F N 1.282 121.207 119.950 -0.042 0.000 2.293 459 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 459 F C 2.134 177.934 175.800 0.000 0.000 1.089 459 F CA 0.709 58.700 58.000 -0.014 0.000 1.377 459 F CB -0.177 38.818 39.000 -0.009 0.000 1.051 459 F HN 0.182 nan 8.300 nan 0.000 0.511 460 I N -0.992 119.677 120.570 0.164 0.000 2.226 460 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 460 I C 2.339 178.501 176.117 0.074 0.000 1.100 460 I CA 1.216 62.578 61.300 0.104 0.000 1.374 460 I CB -0.594 37.449 38.000 0.072 0.000 1.057 460 I HN -0.012 nan 8.210 nan 0.000 0.413 461 S N 0.977 116.705 115.700 0.046 0.000 2.382 461 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 461 S C 1.932 176.560 174.600 0.046 0.000 1.027 461 S CA 1.352 59.584 58.200 0.054 0.000 0.991 461 S CB -0.469 62.754 63.200 0.039 0.000 0.823 461 S HN 0.355 nan 8.310 nan 0.000 0.469 462 L N 2.053 123.265 121.223 -0.018 0.000 2.042 462 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 462 L C 2.153 179.030 176.870 0.011 0.000 1.076 462 L CA 1.982 56.789 54.840 -0.055 0.000 0.749 462 L CB -1.498 40.440 42.059 -0.203 0.000 0.893 462 L HN 0.184 nan 8.230 nan 0.000 0.432 463 T N 0.090 114.672 114.554 0.046 0.000 2.759 463 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 463 T C 1.912 176.681 174.700 0.115 0.000 1.042 463 T CA 1.380 63.526 62.100 0.076 0.000 1.140 463 T CB -0.581 68.344 68.868 0.094 0.000 0.864 463 T HN 0.575 nan 8.240 nan 0.000 0.455 464 A N 0.900 123.809 122.820 0.148 0.000 1.898 464 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 464 A C 2.578 180.336 177.584 0.290 0.000 1.181 464 A CA 1.215 53.409 52.037 0.262 0.000 0.620 464 A CB -0.876 18.257 19.000 0.222 0.000 0.819 464 A HN 0.367 nan 8.150 nan 0.000 0.442 465 V N 0.119 120.138 119.914 0.174 0.000 2.295 465 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 465 V C 2.643 178.773 176.094 0.059 0.000 1.049 465 V CA 2.220 64.589 62.300 0.114 0.000 1.024 465 V CB -0.799 31.058 31.823 0.057 0.000 0.648 465 V HN 0.565 nan 8.190 nan 0.000 0.447 466 M N -0.814 118.815 119.600 0.048 0.000 2.159 466 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 466 M C 2.260 178.588 176.300 0.047 0.000 1.063 466 M CA 1.738 57.054 55.300 0.027 0.000 1.110 466 M CB -0.527 32.079 32.600 0.011 0.000 1.374 466 M HN 0.337 nan 8.290 nan 0.000 0.411 467 L N 0.634 121.902 121.223 0.076 0.000 2.083 467 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 467 L C 2.463 179.361 176.870 0.047 0.000 1.083 467 L CA 1.628 56.521 54.840 0.089 0.000 0.752 467 L CB -0.540 41.614 42.059 0.158 0.000 0.899 467 L HN 0.297 nan 8.230 nan 0.000 0.433 468 M N -1.759 117.801 119.600 -0.067 0.000 2.159 468 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 468 M C 1.968 178.201 176.300 -0.112 0.000 1.063 468 M CA 1.890 57.030 55.300 -0.266 0.000 1.110 468 M CB -0.103 32.257 32.600 -0.399 0.000 1.374 468 M HN 0.168 nan 8.290 nan 0.000 0.411 469 V N 0.781 120.681 119.914 -0.023 0.000 2.295 469 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 469 V C 2.217 178.358 176.094 0.077 0.000 1.049 469 V CA 2.174 64.492 62.300 0.030 0.000 1.024 469 V CB -1.133 30.715 31.823 0.041 0.000 0.648 469 V HN 0.629 nan 8.190 nan 0.000 0.447 470 F N 0.887 120.809 119.950 -0.048 0.000 2.095 470 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 470 F C 2.121 177.921 175.800 -0.000 0.000 1.104 470 F CA 1.713 59.699 58.000 -0.023 0.000 1.232 470 F CB -0.408 38.490 39.000 -0.171 0.000 0.987 470 F HN 0.074 nan 8.300 nan 0.000 0.475 471 I N 0.471 120.784 120.570 -0.430 0.000 2.208 471 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 471 I C 2.421 178.299 176.117 -0.399 0.000 1.097 471 I CA 1.689 62.667 61.300 -0.537 0.000 1.363 471 I CB -0.566 37.293 38.000 -0.234 0.000 1.051 471 I HN 0.220 nan 8.210 nan 0.000 0.413 472 I N -0.640 119.799 120.570 -0.218 0.000 2.315 472 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 472 I C 2.452 178.560 176.117 -0.015 0.000 1.117 472 I CA 1.361 62.567 61.300 -0.156 0.000 1.404 472 I CB -0.425 37.608 38.000 0.054 0.000 1.071 472 I HN 0.420 nan 8.210 nan 0.000 0.419 473 W N 2.332 123.550 121.300 -0.137 0.000 2.355 473 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 473 W C 2.495 178.920 176.519 -0.156 0.000 1.206 473 W CA 1.709 59.018 57.345 -0.059 0.000 1.284 473 W CB -0.209 29.198 29.460 -0.088 0.000 1.145 473 W HN 0.043 nan 8.180 nan 0.000 0.502 474 E N 0.797 120.658 120.200 -0.564 0.000 2.085 474 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 474 E C 2.118 178.390 176.600 -0.546 0.000 0.994 474 E CA 1.805 57.738 56.400 -0.777 0.000 0.801 474 E CB -0.626 28.641 29.700 -0.722 0.000 0.743 474 E HN 0.327 nan 8.360 nan 0.000 0.453 475 A N 0.161 122.742 122.820 -0.398 0.000 1.877 475 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 475 A C 2.204 179.591 177.584 -0.328 0.000 1.186 475 A CA 1.354 53.218 52.037 -0.289 0.000 0.620 475 A CB -1.063 17.775 19.000 -0.270 0.000 0.822 475 A HN 0.343 nan 8.150 nan 0.000 0.443 476 F N -0.298 119.509 119.950 -0.239 0.000 2.325 476 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 476 F C 2.701 178.208 175.800 -0.489 0.000 1.090 476 F CA 0.481 58.299 58.000 -0.302 0.000 1.392 476 F CB 0.046 39.013 39.000 -0.056 0.000 1.053 476 F HN 0.298 nan 8.300 nan 0.000 0.521 477 A N -0.778 121.745 122.820 -0.496 0.000 1.897 477 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 477 A C 2.259 179.595 177.584 -0.413 0.000 1.181 477 A CA 1.835 53.502 52.037 -0.617 0.000 0.620 477 A CB -0.778 17.424 19.000 -1.330 0.000 0.821 477 A HN 0.258 nan 8.150 nan 0.000 0.443 478 S N -0.754 114.709 115.700 -0.396 0.000 2.414 478 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 478 S C 0.412 174.865 174.600 -0.246 0.000 1.022 478 S CA 0.658 58.704 58.200 -0.256 0.000 0.958 478 S CB -0.144 62.941 63.200 -0.192 0.000 0.797 478 S HN 0.573 nan 8.310 nan 0.000 0.493 479 K N 1.079 121.229 120.400 -0.417 0.000 3.393 479 K HA -0.155 4.165 4.320 -0.000 0.000 0.272 479 K C -0.942 175.580 176.600 -0.130 0.000 1.004 479 K CA 0.260 56.226 56.287 -0.535 0.000 0.764 479 K CB -1.189 31.102 32.500 -0.348 0.000 1.373 479 K HN 0.354 nan 8.250 nan 0.000 0.458 480 R N 1.844 122.320 120.500 -0.041 0.000 2.248 480 R HA 0.106 4.446 4.340 -0.000 0.000 0.337 480 R C -0.047 176.381 176.300 0.213 0.000 1.106 480 R CA -0.205 55.941 56.100 0.077 0.000 0.959 480 R CB 0.491 30.822 30.300 0.051 0.000 1.075 480 R HN 0.248 nan 8.270 nan 0.000 0.480 481 E N 1.925 122.254 120.200 0.215 0.000 2.338 481 E HA 0.072 4.422 4.350 -0.000 0.000 0.272 481 E C -0.079 176.583 176.600 0.103 0.000 1.029 481 E CA -0.408 56.109 56.400 0.194 0.000 0.872 481 E CB 1.360 31.152 29.700 0.153 0.000 1.015 481 E HN 0.193 nan 8.360 nan 0.000 0.417 482 V N 4.685 124.641 119.914 0.070 0.000 2.740 482 V HA -0.075 4.045 4.120 -0.000 0.000 0.303 482 V C 1.147 177.269 176.094 0.046 0.000 1.054 482 V CA 0.644 62.976 62.300 0.053 0.000 1.106 482 V CB 0.564 32.419 31.823 0.054 0.000 0.957 482 V HN 0.720 nan 8.190 nan 0.000 0.486 483 L N 2.346 123.592 121.223 0.037 0.000 2.590 483 L HA 0.269 4.609 4.340 -0.000 0.000 0.181 483 L C 0.901 177.788 176.870 0.028 0.000 1.134 483 L CA 0.666 55.526 54.840 0.033 0.000 0.850 483 L CB 0.537 42.612 42.059 0.027 0.000 1.172 483 L HN 0.645 nan 8.230 nan 0.000 0.498 484 T N -0.295 114.266 114.554 0.012 0.000 2.906 484 T HA 0.611 4.961 4.350 -0.000 0.000 0.295 484 T C -1.162 173.513 174.700 -0.042 0.000 1.061 484 T CA -0.287 61.812 62.100 -0.001 0.000 1.000 484 T CB 2.660 71.527 68.868 -0.001 0.000 1.103 484 T HN -0.239 nan 8.240 nan 0.000 0.486 485 V N 2.779 122.655 119.914 -0.064 0.000 2.638 485 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 485 V C -0.490 175.533 176.094 -0.119 0.000 1.052 485 V CA -0.902 61.295 62.300 -0.171 0.000 0.885 485 V CB 2.170 33.790 31.823 -0.338 0.000 0.999 485 V HN 0.845 nan 8.190 nan 0.000 0.424 486 D N 2.568 122.894 120.400 -0.124 0.000 2.329 486 D HA 0.502 5.142 4.640 -0.000 0.000 0.246 486 D C 0.814 177.035 176.300 -0.131 0.000 1.111 486 D CA 0.137 54.062 54.000 -0.124 0.000 0.941 486 D CB 0.986 41.685 40.800 -0.168 0.000 1.169 486 D HN 0.542 nan 8.370 nan 0.000 0.441 487 L N 0.895 122.042 121.223 -0.126 0.000 4.089 487 L HA -0.310 4.030 4.340 -0.000 0.000 0.408 487 L C 1.648 178.554 176.870 0.061 0.000 1.184 487 L CA 0.727 55.512 54.840 -0.091 0.000 0.947 487 L CB -2.404 39.478 42.059 -0.294 0.000 2.066 487 L HN 0.605 nan 8.230 nan 0.000 0.851 488 T N -5.188 109.413 114.554 0.078 0.000 2.929 488 T HA -0.171 4.179 4.350 -0.000 0.000 0.271 488 T C 1.700 176.496 174.700 0.160 0.000 1.085 488 T CA 1.488 63.687 62.100 0.164 0.000 1.125 488 T CB -0.451 68.511 68.868 0.157 0.000 0.874 488 T HN 0.597 nan 8.240 nan 0.000 0.494 489 T N 0.585 115.200 114.554 0.102 0.000 2.929 489 T HA -0.071 4.279 4.350 -0.000 0.000 0.271 489 T C 1.711 176.477 174.700 0.110 0.000 1.085 489 T CA 1.397 63.554 62.100 0.095 0.000 1.125 489 T CB -0.821 68.080 68.868 0.055 0.000 0.874 489 T HN 0.671 nan 8.240 nan 0.000 0.494 490 T N -1.390 113.238 114.554 0.124 0.000 3.288 490 T HA 0.335 4.685 4.350 -0.000 0.000 0.293 490 T C 0.061 174.892 174.700 0.218 0.000 1.008 490 T CA -0.825 61.356 62.100 0.134 0.000 0.929 490 T CB -0.132 68.783 68.868 0.078 0.000 1.152 490 T HN 0.291 nan 8.240 nan 0.000 0.517 491 N N 1.339 120.215 118.700 0.294 0.000 2.716 491 N HA 0.165 4.905 4.740 -0.000 0.000 0.245 491 N C 0.370 176.153 175.510 0.454 0.000 1.495 491 N CA -0.256 53.061 53.050 0.444 0.000 0.759 491 N CB 1.697 40.532 38.487 0.579 0.000 1.261 491 N HN 0.043 nan 8.380 nan 0.000 0.515 492 L N 2.122 123.559 121.223 0.356 0.000 2.137 492 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 492 L C 2.498 179.587 176.870 0.364 0.000 1.085 492 L CA 2.028 57.068 54.840 0.333 0.000 0.760 492 L CB -0.139 42.081 42.059 0.269 0.000 0.893 492 L HN 0.439 nan 8.230 nan 0.000 0.434 493 E N -1.580 118.824 120.200 0.341 0.000 2.265 493 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 493 E C 1.736 178.414 176.600 0.131 0.000 0.996 493 E CA 1.640 58.175 56.400 0.225 0.000 0.832 493 E CB -0.945 28.819 29.700 0.107 0.000 0.756 493 E HN 0.706 nan 8.360 nan 0.000 0.491 494 W N 0.232 121.667 121.300 0.226 0.000 3.003 494 W HA 0.206 4.866 4.660 -0.000 0.000 0.257 494 W C 1.709 178.302 176.519 0.123 0.000 1.308 494 W CA -0.522 56.910 57.345 0.146 0.000 1.529 494 W CB -0.038 29.485 29.460 0.104 0.000 1.115 494 W HN 0.058 nan 8.180 nan 0.000 0.659 495 L N 1.125 122.551 121.223 0.339 0.000 2.450 495 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 495 L C 1.127 178.077 176.870 0.134 0.000 1.149 495 L CA 1.556 56.535 54.840 0.232 0.000 0.816 495 L CB -0.605 41.597 42.059 0.237 0.000 0.932 495 L HN 0.014 nan 8.230 nan 0.000 0.449 496 N N -0.047 118.716 118.700 0.106 0.000 2.238 496 N HA 0.250 4.990 4.740 -0.000 0.000 0.222 496 N C 0.606 176.148 175.510 0.054 0.000 1.133 496 N CA 0.752 53.813 53.050 0.018 0.000 0.854 496 N CB 0.598 39.038 38.487 -0.078 0.000 1.041 496 N HN 0.315 nan 8.380 nan 0.000 0.510 497 G N 0.456 109.319 108.800 0.105 0.000 2.756 497 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.678 497 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.678 497 G C -0.775 174.184 174.900 0.098 0.000 1.349 497 G CA -0.772 44.388 45.100 0.100 0.000 0.847 497 G HN 0.278 nan 8.290 nan 0.000 0.548 498 C N 2.618 121.962 119.300 0.074 0.000 2.344 498 C HA 0.707 5.167 4.460 -0.000 0.000 0.326 498 C C -1.397 173.565 174.990 -0.046 0.000 1.201 498 C CA -0.873 58.156 59.018 0.019 0.000 1.410 498 C CB 1.127 28.898 27.740 0.052 0.000 2.070 498 C HN 0.823 nan 8.230 nan 0.000 0.445 499 P HA 0.388 nan 4.420 nan 0.000 0.279 499 P C -2.620 174.727 177.300 0.079 0.000 1.252 499 P CA -1.310 61.804 63.100 0.023 0.000 0.811 499 P CB 0.466 32.207 31.700 0.069 0.000 1.035 500 P HA 0.187 nan 4.420 nan 0.000 0.272 500 P C -2.251 175.091 177.300 0.070 0.000 1.230 500 P CA -1.347 61.811 63.100 0.098 0.000 0.788 500 P CB -0.945 30.838 31.700 0.137 0.000 0.949 501 P HA -0.049 nan 4.420 nan 0.000 0.270 501 P C 0.768 178.083 177.300 0.025 0.000 1.223 501 P CA -0.054 63.072 63.100 0.043 0.000 0.785 501 P CB 0.516 32.242 31.700 0.042 0.000 0.923 502 Y N 1.593 121.814 120.300 -0.132 0.000 2.102 502 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 502 Y C 0.981 176.715 175.900 -0.276 0.000 1.178 502 Y CA 1.781 59.717 58.100 -0.273 0.000 1.146 502 Y CB -0.544 37.698 38.460 -0.364 0.000 0.968 502 Y HN 0.423 nan 8.280 nan 0.000 0.504 503 H N -0.088 119.044 119.070 0.103 0.000 2.519 503 H HA 0.359 4.915 4.556 -0.000 0.000 0.316 503 H C -0.311 175.015 175.328 -0.004 0.000 1.065 503 H CA -0.234 55.835 56.048 0.035 0.000 1.264 503 H CB 0.935 30.751 29.762 0.090 0.000 1.413 503 H HN 0.051 nan 8.280 nan 0.000 0.465 504 T N -0.063 114.564 114.554 0.121 0.000 2.908 504 T HA 0.317 4.667 4.350 -0.000 0.000 0.290 504 T C -0.187 174.551 174.700 0.063 0.000 1.034 504 T CA -0.942 61.136 62.100 -0.037 0.000 1.010 504 T CB 1.028 69.849 68.868 -0.078 0.000 1.068 504 T HN 0.579 nan 8.240 nan 0.000 0.481 505 F N -0.770 119.218 119.950 0.062 0.000 3.074 505 F HA -0.196 4.331 4.527 -0.000 0.000 0.289 505 F C 1.327 177.138 175.800 0.019 0.000 0.863 505 F CA 0.424 58.447 58.000 0.038 0.000 1.121 505 F CB -2.465 36.548 39.000 0.022 0.000 1.169 505 F HN 0.825 nan 8.300 nan 0.000 0.570 506 E N 0.370 120.624 120.200 0.088 0.000 2.160 506 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 506 E C 1.131 177.761 176.600 0.049 0.000 0.991 506 E CA 1.401 57.822 56.400 0.035 0.000 0.810 506 E CB 0.103 29.796 29.700 -0.012 0.000 0.742 506 E HN 0.611 nan 8.360 nan 0.000 0.466 507 E N 1.251 121.496 120.200 0.074 0.000 2.145 507 E HA 0.173 4.523 4.350 -0.000 0.000 0.262 507 E C -2.432 174.260 176.600 0.155 0.000 0.883 507 E CA -2.567 53.884 56.400 0.084 0.000 0.748 507 E CB 1.033 30.770 29.700 0.062 0.000 1.140 507 E HN -0.128 nan 8.360 nan 0.000 0.417 508 P HA -0.041 nan 4.420 nan 0.000 0.270 508 P C -0.012 177.410 177.300 0.204 0.000 1.227 508 P CA -0.196 63.011 63.100 0.178 0.000 0.788 508 P CB 0.461 32.206 31.700 0.075 0.000 0.926 509 T N -1.339 113.338 114.554 0.204 0.000 2.813 509 T HA 0.144 4.494 4.350 -0.000 0.000 0.297 509 T C -0.422 174.377 174.700 0.166 0.000 1.036 509 T CA -0.271 61.953 62.100 0.207 0.000 1.044 509 T CB 0.123 69.091 68.868 0.167 0.000 0.993 509 T HN 0.395 nan 8.240 nan 0.000 0.535 510 Y N 1.130 121.470 120.300 0.066 0.000 2.331 510 Y HA 0.554 5.104 4.550 -0.000 0.000 0.338 510 Y C -1.276 174.646 175.900 0.036 0.000 0.976 510 Y CA -1.107 57.019 58.100 0.043 0.000 1.137 510 Y CB 0.892 39.378 38.460 0.042 0.000 1.172 510 Y HN 0.572 nan 8.280 nan 0.000 0.478 511 V N 6.570 126.257 119.914 -0.377 0.000 2.488 511 V HA 0.248 4.368 4.120 -0.000 0.000 0.293 511 V C -0.545 175.330 176.094 -0.365 0.000 1.027 511 V CA -1.261 60.898 62.300 -0.236 0.000 0.862 511 V CB 1.397 33.161 31.823 -0.100 0.000 1.008 511 V HN 0.860 nan 8.190 nan 0.000 0.428 512 N N 2.896 121.427 118.700 -0.280 0.000 2.453 512 N HA 0.210 4.950 4.740 -0.000 0.000 0.253 512 N C 0.672 176.125 175.510 -0.095 0.000 1.252 512 N CA -0.442 52.500 53.050 -0.180 0.000 0.917 512 N CB 0.990 39.474 38.487 -0.004 0.000 1.117 512 N HN 0.548 nan 8.380 nan 0.000 0.442 513 L N 1.471 122.650 121.223 -0.073 0.000 2.354 513 L HA 0.179 4.519 4.340 -0.000 0.000 0.212 513 L C 0.336 177.197 176.870 -0.014 0.000 1.091 513 L CA 1.135 55.950 54.840 -0.041 0.000 0.828 513 L CB -0.414 41.620 42.059 -0.041 0.000 0.973 513 L HN 0.716 nan 8.230 nan 0.000 0.461 514 K N 0.000 120.397 120.400 -0.005 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.009 0.000 0.838 514 K CB 0.000 32.508 32.500 0.013 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543