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 3ag3_1_A 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 0.000 175.811 175.800 0.018 0.000 0.967 2 F CA 0.000 58.047 58.000 0.079 0.000 1.383 2 F CB 0.000 39.049 39.000 0.082 0.000 1.145 3 I N 1.604 122.193 120.570 0.032 0.000 2.226 3 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 3 I C 1.748 177.506 176.117 -0.599 0.000 1.100 3 I CA 1.605 62.739 61.300 -0.278 0.000 1.374 3 I CB -0.422 37.367 38.000 -0.350 0.000 1.057 3 I HN 0.274 nan 8.210 nan 0.000 0.413 4 N N 0.582 119.019 118.700 -0.440 0.000 2.166 4 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 4 N C 1.885 177.237 175.510 -0.263 0.000 1.019 4 N CA 1.181 54.046 53.050 -0.309 0.000 0.856 4 N CB -0.337 38.080 38.487 -0.115 0.000 0.993 4 N HN 0.325 nan 8.380 nan 0.000 0.426 5 R N -0.854 119.413 120.500 -0.388 0.000 2.062 5 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 5 R C 1.431 177.299 176.300 -0.720 0.000 1.128 5 R CA 1.296 57.024 56.100 -0.619 0.000 0.960 5 R CB -0.144 29.605 30.300 -0.918 0.000 0.855 5 R HN 0.246 nan 8.270 nan 0.000 0.432 6 W N -0.988 120.085 121.300 -0.377 0.000 2.996 6 W HA 0.172 4.832 4.660 -0.000 0.000 0.270 6 W C 1.166 177.680 176.519 -0.008 0.000 1.280 6 W CA -0.576 56.590 57.345 -0.298 0.000 1.549 6 W CB 0.435 29.505 29.460 -0.651 0.000 1.079 6 W HN 0.092 nan 8.180 nan 0.000 0.629 7 L N -1.519 119.742 121.223 0.063 0.000 2.470 7 L HA 0.177 4.517 4.340 -0.000 0.000 0.219 7 L C 0.820 177.900 176.870 0.350 0.000 1.071 7 L CA 0.923 55.835 54.840 0.121 0.000 0.850 7 L CB -0.535 41.367 42.059 -0.262 0.000 1.040 7 L HN -0.147 nan 8.230 nan 0.000 0.475 8 F N -1.186 118.766 119.950 0.005 0.000 2.684 8 F HA 0.388 4.915 4.527 -0.000 0.000 0.298 8 F C 1.289 177.085 175.800 -0.007 0.000 1.120 8 F CA -1.127 56.867 58.000 -0.009 0.000 1.332 8 F CB -1.131 37.842 39.000 -0.046 0.000 0.986 8 F HN -0.193 nan 8.300 nan 0.000 0.524 9 S N 0.877 116.678 115.700 0.168 0.000 2.573 9 S HA 0.230 4.700 4.470 -0.000 0.000 0.277 9 S C 1.063 175.690 174.600 0.045 0.000 1.346 9 S CA 0.576 58.793 58.200 0.028 0.000 1.034 9 S CB 0.389 63.542 63.200 -0.078 0.000 0.879 9 S HN 0.473 nan 8.310 nan 0.000 0.528 10 T N 0.925 115.476 114.554 -0.005 0.000 3.516 10 T HA 0.310 4.660 4.350 -0.000 0.000 0.300 10 T C -0.377 174.274 174.700 -0.082 0.000 0.995 10 T CA -0.718 61.377 62.100 -0.008 0.000 0.982 10 T CB -0.517 68.366 68.868 0.026 0.000 1.199 10 T HN 0.516 nan 8.240 nan 0.000 0.481 11 N N 1.374 119.958 118.700 -0.193 0.000 2.372 11 N HA 0.169 4.909 4.740 -0.000 0.000 0.285 11 N C 0.972 176.239 175.510 -0.405 0.000 1.008 11 N CA -0.308 52.503 53.050 -0.399 0.000 0.880 11 N CB 1.574 39.586 38.487 -0.790 0.000 1.239 11 N HN 0.559 nan 8.380 nan 0.000 0.484 12 H N 3.211 122.042 119.070 -0.400 0.000 2.421 12 H HA 0.017 4.573 4.556 -0.000 0.000 0.298 12 H C 0.995 175.982 175.328 -0.570 0.000 1.087 12 H CA 1.446 57.272 56.048 -0.369 0.000 1.330 12 H CB 0.320 29.911 29.762 -0.285 0.000 1.388 12 H HN 0.493 nan 8.280 nan 0.000 0.526 13 K N 0.167 119.704 120.400 -1.440 0.000 2.076 13 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 13 K C 1.593 177.475 176.600 -1.197 0.000 1.051 13 K CA 1.214 56.364 56.287 -1.894 0.000 0.949 13 K CB 0.139 31.445 32.500 -1.990 0.000 0.726 13 K HN 0.261 nan 8.250 nan 0.000 0.443 14 D N 1.159 121.111 120.400 -0.747 0.000 2.117 14 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 14 D C 1.881 178.044 176.300 -0.230 0.000 0.982 14 D CA 0.992 54.778 54.000 -0.356 0.000 0.828 14 D CB -0.141 40.305 40.800 -0.590 0.000 0.967 14 D HN 0.111 nan 8.370 nan 0.000 0.464 15 I N 0.842 121.224 120.570 -0.313 0.000 2.226 15 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 15 I C 2.477 178.532 176.117 -0.104 0.000 1.100 15 I CA 1.315 62.480 61.300 -0.226 0.000 1.374 15 I CB -0.363 37.571 38.000 -0.110 0.000 1.057 15 I HN 0.028 nan 8.210 nan 0.000 0.413 16 G N -0.125 108.574 108.800 -0.168 0.000 2.422 16 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 16 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 16 G C 1.637 176.587 174.900 0.082 0.000 1.146 16 G CA 1.393 46.477 45.100 -0.026 0.000 0.769 16 G HN 0.275 nan 8.290 nan 0.000 0.547 17 T N 1.444 116.023 114.554 0.041 0.000 2.652 17 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 17 T C 2.438 177.150 174.700 0.020 0.000 1.039 17 T CA 1.128 63.331 62.100 0.171 0.000 1.153 17 T CB -0.280 68.745 68.868 0.262 0.000 0.863 17 T HN 0.179 nan 8.240 nan 0.000 0.428 18 L N -0.537 120.583 121.223 -0.172 0.000 2.013 18 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 18 L C 2.421 179.093 176.870 -0.330 0.000 1.073 18 L CA 1.689 56.219 54.840 -0.516 0.000 0.753 18 L CB -0.677 40.558 42.059 -1.372 0.000 0.890 18 L HN 0.281 nan 8.230 nan 0.000 0.432 19 Y N -0.280 119.890 120.300 -0.216 0.000 2.293 19 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 19 Y C 2.359 178.395 175.900 0.226 0.000 1.137 19 Y CA 1.080 59.285 58.100 0.176 0.000 1.202 19 Y CB -0.254 38.294 38.460 0.145 0.000 0.990 19 Y HN 0.078 nan 8.280 nan 0.000 0.537 20 L N -1.149 120.241 121.223 0.279 0.000 2.056 20 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 20 L C 2.166 179.182 176.870 0.243 0.000 1.078 20 L CA 1.059 56.025 54.840 0.209 0.000 0.749 20 L CB -0.583 41.560 42.059 0.141 0.000 0.901 20 L HN 0.233 nan 8.230 nan 0.000 0.433 21 L N -1.415 119.938 121.223 0.216 0.000 2.056 21 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 21 L C 2.533 179.577 176.870 0.289 0.000 1.078 21 L CA 1.217 56.178 54.840 0.202 0.000 0.749 21 L CB -0.485 41.634 42.059 0.100 0.000 0.901 21 L HN 0.156 nan 8.230 nan 0.000 0.433 22 F N 0.837 120.916 119.950 0.216 0.000 2.095 22 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 22 F C 2.216 178.242 175.800 0.377 0.000 1.104 22 F CA 1.815 59.995 58.000 0.300 0.000 1.232 22 F CB -0.553 38.663 39.000 0.359 0.000 0.987 22 F HN -0.005 nan 8.300 nan 0.000 0.475 23 G N -0.615 108.510 108.800 0.541 0.000 2.408 23 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 23 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 23 G C 1.771 176.809 174.900 0.230 0.000 1.150 23 G CA 0.674 46.013 45.100 0.399 0.000 0.776 23 G HN 0.620 nan 8.290 nan 0.000 0.542 24 A N -0.033 122.908 122.820 0.202 0.000 1.898 24 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 24 A C 2.152 179.824 177.584 0.146 0.000 1.181 24 A CA 1.528 53.635 52.037 0.118 0.000 0.620 24 A CB -0.701 18.345 19.000 0.077 0.000 0.819 24 A HN 0.527 nan 8.150 nan 0.000 0.442 25 W N 0.546 121.845 121.300 -0.002 0.000 2.388 25 W HA -0.028 4.632 4.660 -0.000 0.000 0.294 25 W C 2.446 178.963 176.519 -0.003 0.000 1.212 25 W CA 1.805 59.132 57.345 -0.030 0.000 1.271 25 W CB -0.081 29.329 29.460 -0.083 0.000 1.126 25 W HN 0.359 nan 8.180 nan 0.000 0.535 26 A N 0.410 123.378 122.820 0.247 0.000 1.902 26 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 26 A C 2.222 179.867 177.584 0.102 0.000 1.181 26 A CA 1.962 54.142 52.037 0.238 0.000 0.623 26 A CB -1.664 17.452 19.000 0.193 0.000 0.818 26 A HN 0.388 nan 8.150 nan 0.000 0.443 27 G N -0.996 107.848 108.800 0.073 0.000 2.432 27 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 27 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 27 G C 1.452 176.344 174.900 -0.013 0.000 1.135 27 G CA 1.286 46.413 45.100 0.045 0.000 0.767 27 G HN 0.347 nan 8.290 nan 0.000 0.550 28 M N 0.486 120.023 119.600 -0.105 0.000 2.132 28 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 28 M C 2.791 178.979 176.300 -0.186 0.000 1.065 28 M CA 0.680 55.877 55.300 -0.172 0.000 1.122 28 M CB -1.276 31.132 32.600 -0.319 0.000 1.365 28 M HN 0.109 nan 8.290 nan 0.000 0.411 29 V N 0.507 120.264 119.914 -0.262 0.000 2.287 29 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 29 V C 2.670 178.788 176.094 0.039 0.000 1.053 29 V CA 2.167 64.378 62.300 -0.147 0.000 1.027 29 V CB -1.859 29.926 31.823 -0.064 0.000 0.646 29 V HN 0.566 nan 8.190 nan 0.000 0.447 30 G N -0.646 108.212 108.800 0.096 0.000 2.440 30 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 30 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 30 G C 1.700 176.730 174.900 0.216 0.000 1.154 30 G CA 1.599 46.807 45.100 0.179 0.000 0.767 30 G HN 0.472 nan 8.290 nan 0.000 0.552 31 T N 1.457 116.081 114.554 0.116 0.000 2.821 31 T HA 0.074 4.424 4.350 -0.000 0.000 0.267 31 T C 2.805 177.529 174.700 0.041 0.000 1.046 31 T CA 1.412 63.568 62.100 0.092 0.000 1.139 31 T CB -0.302 68.592 68.868 0.043 0.000 0.871 31 T HN 0.371 nan 8.240 nan 0.000 0.454 32 A N 1.154 123.979 122.820 0.008 0.000 1.930 32 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 32 A C 2.260 179.852 177.584 0.013 0.000 1.175 32 A CA 1.085 53.115 52.037 -0.013 0.000 0.627 32 A CB -0.793 18.181 19.000 -0.043 0.000 0.815 32 A HN 0.463 nan 8.150 nan 0.000 0.443 33 L N 0.417 121.671 121.223 0.052 0.000 2.042 33 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 33 L C 3.043 179.877 176.870 -0.059 0.000 1.076 33 L CA 1.730 56.599 54.840 0.049 0.000 0.749 33 L CB -0.550 41.600 42.059 0.152 0.000 0.893 33 L HN 0.609 nan 8.230 nan 0.000 0.432 34 S N -0.054 115.570 115.700 -0.127 0.000 2.399 34 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 34 S C 1.939 176.486 174.600 -0.088 0.000 1.022 34 S CA 1.041 59.054 58.200 -0.312 0.000 0.983 34 S CB -0.553 62.548 63.200 -0.164 0.000 0.803 34 S HN 0.391 nan 8.310 nan 0.000 0.480 35 L N 0.280 121.497 121.223 -0.010 0.000 2.131 35 L HA 0.118 4.458 4.340 -0.000 0.000 0.206 35 L C 2.592 179.513 176.870 0.085 0.000 1.087 35 L CA 0.707 55.581 54.840 0.056 0.000 0.767 35 L CB -0.498 41.569 42.059 0.012 0.000 0.917 35 L HN 0.302 nan 8.230 nan 0.000 0.441 36 L N -0.306 120.949 121.223 0.053 0.000 2.046 36 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 36 L C 2.463 179.407 176.870 0.123 0.000 1.077 36 L CA 1.363 56.252 54.840 0.083 0.000 0.747 36 L CB -0.382 41.712 42.059 0.059 0.000 0.896 36 L HN 0.195 nan 8.230 nan 0.000 0.432 37 I N -0.662 119.951 120.570 0.072 0.000 2.127 37 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 37 I C 2.680 178.937 176.117 0.233 0.000 1.075 37 I CA 1.357 62.762 61.300 0.175 0.000 1.334 37 I CB -0.338 37.672 38.000 0.017 0.000 1.040 37 I HN 0.240 nan 8.210 nan 0.000 0.405 38 R N 0.540 121.111 120.500 0.119 0.000 2.193 38 R HA 0.031 4.371 4.340 -0.000 0.000 0.213 38 R C 2.206 178.564 176.300 0.097 0.000 1.055 38 R CA 1.070 57.224 56.100 0.091 0.000 0.995 38 R CB -0.301 30.016 30.300 0.030 0.000 0.893 38 R HN 0.369 nan 8.270 nan 0.000 0.459 39 A N 1.148 124.047 122.820 0.132 0.000 1.929 39 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 39 A C 2.051 179.691 177.584 0.093 0.000 1.176 39 A CA 1.412 53.516 52.037 0.111 0.000 0.628 39 A CB -0.204 18.887 19.000 0.150 0.000 0.816 39 A HN 0.201 nan 8.150 nan 0.000 0.444 40 E N 0.345 120.629 120.200 0.139 0.000 2.110 40 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 40 E C 1.486 178.113 176.600 0.045 0.000 0.988 40 E CA 1.237 57.697 56.400 0.099 0.000 0.804 40 E CB -0.356 29.461 29.700 0.195 0.000 0.745 40 E HN 0.580 nan 8.360 nan 0.000 0.458 41 L N -0.843 120.447 121.223 0.111 0.000 2.592 41 L HA 0.293 4.633 4.340 -0.000 0.000 0.227 41 L C 2.006 178.985 176.870 0.181 0.000 1.127 41 L CA 0.356 55.303 54.840 0.179 0.000 0.884 41 L CB 0.182 42.359 42.059 0.197 0.000 1.065 41 L HN 0.214 nan 8.230 nan 0.000 0.457 42 G N 0.081 108.927 108.800 0.077 0.000 2.572 42 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 42 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 42 G C 0.514 175.439 174.900 0.042 0.000 1.133 42 G CA 0.119 45.232 45.100 0.020 0.000 0.791 42 G HN 0.490 nan 8.290 nan 0.000 0.538 43 Q N -0.484 119.351 119.800 0.059 0.000 2.462 43 Q HA 0.543 4.883 4.340 -0.000 0.000 0.285 43 Q C -3.206 172.789 176.000 -0.007 0.000 1.035 43 Q CA -2.266 53.570 55.803 0.056 0.000 0.799 43 Q CB 2.152 30.888 28.738 -0.004 0.000 1.452 43 Q HN -0.126 nan 8.270 nan 0.000 0.404 44 P HA 0.349 nan 4.420 nan 0.000 0.269 44 P C 0.246 177.422 177.300 -0.207 0.000 1.209 44 P CA 1.310 64.255 63.100 -0.258 0.000 0.776 44 P CB 0.634 32.264 31.700 -0.117 0.000 0.876 45 G N 0.329 108.969 108.800 -0.267 0.000 2.466 45 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.316 45 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.316 45 G C -0.963 173.837 174.900 -0.167 0.000 1.270 45 G CA -0.335 44.663 45.100 -0.170 0.000 0.982 45 G HN 0.723 nan 8.290 nan 0.000 0.506 46 T N -0.425 114.062 114.554 -0.112 0.000 2.859 46 T HA 0.581 4.931 4.350 -0.000 0.000 0.281 46 T C 1.043 175.712 174.700 -0.052 0.000 1.005 46 T CA 0.465 62.510 62.100 -0.091 0.000 1.025 46 T CB 1.346 70.170 68.868 -0.073 0.000 0.977 46 T HN 1.474 nan 8.240 nan 0.000 0.458 47 L N 4.913 126.118 121.223 -0.029 0.000 2.435 47 L HA 0.500 4.840 4.340 -0.000 0.000 0.195 47 L C 1.749 178.633 176.870 0.023 0.000 1.072 47 L CA 1.064 55.906 54.840 0.004 0.000 0.833 47 L CB -0.380 41.695 42.059 0.027 0.000 1.081 47 L HN 0.717 nan 8.230 nan 0.000 0.485 48 L N 0.173 121.421 121.223 0.042 0.000 2.418 48 L HA 0.220 4.560 4.340 -0.000 0.000 0.218 48 L C 1.490 178.384 176.870 0.039 0.000 1.125 48 L CA 0.665 55.539 54.840 0.058 0.000 0.835 48 L CB -0.908 41.213 42.059 0.104 0.000 0.953 48 L HN 0.583 nan 8.230 nan 0.000 0.454 49 G N 0.827 109.638 108.800 0.017 0.000 2.258 49 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.274 49 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.274 49 G C -0.034 174.877 174.900 0.018 0.000 1.021 49 G CA 0.742 45.846 45.100 0.007 0.000 0.798 49 G HN 0.472 nan 8.290 nan 0.000 0.507 50 D N -0.898 119.525 120.400 0.039 0.000 2.312 50 D HA 0.274 4.914 4.640 -0.000 0.000 0.229 50 D C 0.211 176.566 176.300 0.092 0.000 1.337 50 D CA -0.521 53.511 54.000 0.053 0.000 0.964 50 D CB 0.458 41.293 40.800 0.058 0.000 1.456 50 D HN -0.089 nan 8.370 nan 0.000 0.547 51 D N 1.369 121.815 120.400 0.077 0.000 2.317 51 D HA -0.091 4.549 4.640 -0.000 0.000 0.211 51 D C 1.700 178.107 176.300 0.178 0.000 0.966 51 D CA 0.668 54.746 54.000 0.130 0.000 0.876 51 D CB 0.448 41.275 40.800 0.045 0.000 0.927 51 D HN 0.363 nan 8.370 nan 0.000 0.519 52 Q N 0.458 120.330 119.800 0.120 0.000 2.084 52 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 52 Q C 1.776 177.860 176.000 0.140 0.000 0.978 52 Q CA 1.300 57.177 55.803 0.122 0.000 0.844 52 Q CB -0.253 28.532 28.738 0.078 0.000 0.898 52 Q HN 0.332 nan 8.270 nan 0.000 0.426 53 I N -0.453 120.195 120.570 0.131 0.000 2.315 53 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 53 I C 2.022 178.223 176.117 0.139 0.000 1.117 53 I CA 1.220 62.595 61.300 0.124 0.000 1.404 53 I CB -0.416 37.649 38.000 0.108 0.000 1.071 53 I HN 0.274 nan 8.210 nan 0.000 0.419 54 Y N 2.313 122.656 120.300 0.072 0.000 2.181 54 Y HA -0.282 4.268 4.550 -0.000 0.000 0.288 54 Y C 2.367 178.327 175.900 0.100 0.000 1.146 54 Y CA 1.740 59.888 58.100 0.080 0.000 1.164 54 Y CB -0.186 38.316 38.460 0.070 0.000 0.982 54 Y HN 0.177 nan 8.280 nan 0.000 0.515 55 N N -0.036 118.742 118.700 0.130 0.000 2.142 55 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 55 N C 1.930 177.449 175.510 0.016 0.000 1.023 55 N CA 1.668 54.759 53.050 0.070 0.000 0.852 55 N CB -0.686 37.901 38.487 0.166 0.000 0.998 55 N HN 0.311 nan 8.380 nan 0.000 0.424 56 V N 0.588 120.539 119.914 0.063 0.000 2.407 56 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 56 V C 2.358 178.482 176.094 0.050 0.000 1.055 56 V CA 1.090 63.438 62.300 0.081 0.000 1.049 56 V CB -0.431 31.457 31.823 0.108 0.000 0.662 56 V HN 0.075 nan 8.190 nan 0.000 0.455 57 V N -0.544 119.356 119.914 -0.022 0.000 2.379 57 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 57 V C 2.399 178.466 176.094 -0.045 0.000 1.044 57 V CA 1.612 63.897 62.300 -0.024 0.000 1.036 57 V CB -0.029 31.738 31.823 -0.093 0.000 0.664 57 V HN 0.403 nan 8.190 nan 0.000 0.453 58 V N -0.076 119.721 119.914 -0.195 0.000 2.407 58 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 58 V C 2.537 178.649 176.094 0.029 0.000 1.055 58 V CA 2.625 64.865 62.300 -0.100 0.000 1.049 58 V CB -0.923 30.786 31.823 -0.190 0.000 0.662 58 V HN 0.616 nan 8.190 nan 0.000 0.455 59 T N 0.377 114.939 114.554 0.013 0.000 2.701 59 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 59 T C 2.104 176.834 174.700 0.050 0.000 1.040 59 T CA 1.595 63.689 62.100 -0.010 0.000 1.147 59 T CB -0.476 68.427 68.868 0.057 0.000 0.865 59 T HN 0.558 nan 8.240 nan 0.000 0.426 60 A N 1.416 124.351 122.820 0.192 0.000 1.908 60 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 60 A C 2.017 179.739 177.584 0.229 0.000 1.181 60 A CA 2.436 54.648 52.037 0.293 0.000 0.627 60 A CB -1.069 18.092 19.000 0.267 0.000 0.818 60 A HN 0.717 nan 8.150 nan 0.000 0.445 61 H N 0.188 119.301 119.070 0.071 0.000 2.353 61 H HA -0.047 4.509 4.556 -0.000 0.000 0.298 61 H C 2.036 177.358 175.328 -0.010 0.000 1.103 61 H CA 2.276 58.353 56.048 0.048 0.000 1.293 61 H CB -0.357 29.425 29.762 0.032 0.000 1.372 61 H HN 0.372 nan 8.280 nan 0.000 0.501 62 A N -0.367 122.265 122.820 -0.313 0.000 1.897 62 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 62 A C 2.122 179.474 177.584 -0.387 0.000 1.181 62 A CA 1.138 52.816 52.037 -0.597 0.000 0.620 62 A CB -0.857 17.736 19.000 -0.679 0.000 0.821 62 A HN 0.420 nan 8.150 nan 0.000 0.443 63 F N -0.024 119.890 119.950 -0.060 0.000 2.186 63 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 63 F C 2.471 178.207 175.800 -0.106 0.000 1.090 63 F CA 0.933 58.961 58.000 0.047 0.000 1.307 63 F CB -0.793 38.240 39.000 0.054 0.000 1.019 63 F HN 0.012 nan 8.300 nan 0.000 0.489 64 V N -0.119 119.881 119.914 0.143 0.000 2.255 64 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 64 V C 2.518 178.597 176.094 -0.025 0.000 1.051 64 V CA 1.655 64.010 62.300 0.092 0.000 1.018 64 V CB -0.564 31.382 31.823 0.206 0.000 0.641 64 V HN 0.221 nan 8.190 nan 0.000 0.445 65 M N -1.149 118.373 119.600 -0.130 0.000 2.159 65 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 65 M C 2.123 178.288 176.300 -0.225 0.000 1.063 65 M CA 1.928 57.125 55.300 -0.172 0.000 1.110 65 M CB -0.906 31.514 32.600 -0.300 0.000 1.374 65 M HN 0.307 nan 8.290 nan 0.000 0.411 66 I N -1.244 119.118 120.570 -0.345 0.000 2.270 66 I HA -0.210 3.960 4.170 -0.000 0.000 0.239 66 I C 1.953 177.761 176.117 -0.515 0.000 1.080 66 I CA 1.141 62.122 61.300 -0.531 0.000 1.383 66 I CB -0.248 37.255 38.000 -0.827 0.000 1.097 66 I HN 0.045 nan 8.210 nan 0.000 0.420 67 F N -0.530 119.235 119.950 -0.310 0.000 2.569 67 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 67 F C 1.655 177.273 175.800 -0.304 0.000 1.115 67 F CA 0.792 58.558 58.000 -0.389 0.000 1.450 67 F CB -0.054 38.518 39.000 -0.714 0.000 1.107 67 F HN -0.044 nan 8.300 nan 0.000 0.563 68 F N -2.414 117.634 119.950 0.164 0.000 2.717 68 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 68 F C 1.895 177.822 175.800 0.211 0.000 1.113 68 F CA 0.032 58.144 58.000 0.188 0.000 1.319 68 F CB -0.287 38.521 39.000 -0.319 0.000 1.097 68 F HN -0.106 nan 8.300 nan 0.000 0.595 69 M N -0.671 119.066 119.600 0.229 0.000 2.962 69 M HA 0.097 4.577 4.480 -0.000 0.000 0.242 69 M C 1.985 178.374 176.300 0.149 0.000 1.396 69 M CA 1.074 56.484 55.300 0.184 0.000 1.287 69 M CB -0.355 32.305 32.600 0.099 0.000 1.168 69 M HN -0.078 nan 8.290 nan 0.000 0.557 70 V N 1.575 121.514 119.914 0.041 0.000 2.270 70 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 70 V C 2.507 178.633 176.094 0.053 0.000 1.043 70 V CA 1.902 64.218 62.300 0.026 0.000 1.014 70 V CB -0.689 31.084 31.823 -0.083 0.000 0.645 70 V HN 0.483 nan 8.190 nan 0.000 0.447 71 M N -0.360 119.244 119.600 0.006 0.000 2.086 71 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 71 M C -0.037 176.328 176.300 0.109 0.000 1.067 71 M CA 2.250 57.565 55.300 0.024 0.000 1.116 71 M CB -1.664 30.931 32.600 -0.008 0.000 1.348 71 M HN 0.268 nan 8.290 nan 0.000 0.407 72 P HA -0.121 nan 4.420 nan 0.000 0.216 72 P C 1.404 178.846 177.300 0.237 0.000 1.150 72 P CA 1.347 64.644 63.100 0.328 0.000 0.837 72 P CB -0.121 31.962 31.700 0.639 0.000 0.786 73 I N -2.195 118.531 120.570 0.261 0.000 2.193 73 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 73 I C 2.463 178.769 176.117 0.314 0.000 1.084 73 I CA 1.539 62.992 61.300 0.255 0.000 1.365 73 I CB -0.412 37.758 38.000 0.284 0.000 1.064 73 I HN -0.082 nan 8.210 nan 0.000 0.410 74 M N 0.048 119.827 119.600 0.298 0.000 2.077 74 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 74 M C 2.242 178.683 176.300 0.236 0.000 1.070 74 M CA 2.119 57.630 55.300 0.352 0.000 1.125 74 M CB -0.094 32.614 32.600 0.180 0.000 1.339 74 M HN 0.158 nan 8.290 nan 0.000 0.409 75 I N -1.513 119.083 120.570 0.044 0.000 2.556 75 I HA 0.019 4.189 4.170 -0.000 0.000 0.251 75 I C 2.515 178.552 176.117 -0.133 0.000 1.105 75 I CA 0.850 62.081 61.300 -0.115 0.000 1.436 75 I CB -0.791 37.130 38.000 -0.131 0.000 1.139 75 I HN 0.291 nan 8.210 nan 0.000 0.438 76 G N 0.640 109.216 108.800 -0.374 0.000 2.408 76 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 76 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 76 G C 1.572 176.188 174.900 -0.472 0.000 1.150 76 G CA 0.940 45.382 45.100 -1.098 0.000 0.776 76 G HN 0.480 nan 8.290 nan 0.000 0.542 77 G N 0.241 108.962 108.800 -0.130 0.000 2.610 77 G HA2 0.105 4.065 3.960 -0.000 0.000 0.215 77 G HA3 0.105 4.065 3.960 -0.000 0.000 0.215 77 G C 1.496 176.370 174.900 -0.043 0.000 1.243 77 G CA 0.302 45.383 45.100 -0.033 0.000 0.847 77 G HN 0.282 nan 8.290 nan 0.000 0.560 78 F N 1.861 121.901 119.950 0.149 0.000 2.234 78 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 78 F C 2.859 178.785 175.800 0.210 0.000 1.087 78 F CA 0.800 58.862 58.000 0.103 0.000 1.340 78 F CB -0.232 38.758 39.000 -0.016 0.000 1.031 78 F HN 0.229 nan 8.300 nan 0.000 0.500 79 G N 0.104 109.133 108.800 0.381 0.000 2.453 79 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 79 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 79 G C 1.678 176.844 174.900 0.444 0.000 1.201 79 G CA 0.908 46.144 45.100 0.227 0.000 0.784 79 G HN 0.220 nan 8.290 nan 0.000 0.545 80 N N -0.183 118.774 118.700 0.428 0.000 2.166 80 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 80 N C 1.942 177.617 175.510 0.274 0.000 1.019 80 N CA 0.874 54.109 53.050 0.308 0.000 0.856 80 N CB -0.258 38.308 38.487 0.132 0.000 0.993 80 N HN 0.559 nan 8.380 nan 0.000 0.426 81 W N 1.327 122.643 121.300 0.026 0.000 2.379 81 W HA 0.033 4.693 4.660 -0.000 0.000 0.307 81 W C 2.124 178.687 176.519 0.073 0.000 1.200 81 W CA 0.579 57.875 57.345 -0.081 0.000 1.297 81 W CB -0.212 28.932 29.460 -0.527 0.000 1.140 81 W HN 0.006 nan 8.180 nan 0.000 0.507 82 L N -1.557 119.866 121.223 0.333 0.000 2.202 82 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 82 L C 2.043 179.039 176.870 0.211 0.000 1.083 82 L CA 0.210 55.155 54.840 0.176 0.000 0.790 82 L CB -1.042 40.942 42.059 -0.124 0.000 0.942 82 L HN -0.199 nan 8.230 nan 0.000 0.452 83 V N 0.759 120.828 119.914 0.258 0.000 2.270 83 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 83 V C -0.227 175.882 176.094 0.026 0.000 1.043 83 V CA 2.003 64.400 62.300 0.162 0.000 1.014 83 V CB -1.389 30.555 31.823 0.201 0.000 0.645 83 V HN 0.305 nan 8.190 nan 0.000 0.447 84 P HA -0.142 nan 4.420 nan 0.000 0.216 84 P C 1.842 179.049 177.300 -0.156 0.000 1.150 84 P CA 1.468 64.395 63.100 -0.287 0.000 0.837 84 P CB -0.043 31.181 31.700 -0.792 0.000 0.786 85 L N -2.202 119.053 121.223 0.053 0.000 2.109 85 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 85 L C 2.403 179.336 176.870 0.105 0.000 1.086 85 L CA 1.280 56.267 54.840 0.246 0.000 0.760 85 L CB -0.708 41.557 42.059 0.344 0.000 0.910 85 L HN -0.015 nan 8.230 nan 0.000 0.437 86 M N -0.092 119.565 119.600 0.096 0.000 2.476 86 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 86 M C 1.689 177.999 176.300 0.018 0.000 1.079 86 M CA 1.298 56.672 55.300 0.123 0.000 1.104 86 M CB 0.066 32.789 32.600 0.206 0.000 1.409 86 M HN 0.329 nan 8.290 nan 0.000 0.467 87 I N -4.514 115.991 120.570 -0.108 0.000 3.974 87 I HA 0.479 4.649 4.170 -0.000 0.000 0.334 87 I C 0.906 176.797 176.117 -0.377 0.000 1.437 87 I CA 0.073 61.265 61.300 -0.179 0.000 1.113 87 I CB -0.060 37.848 38.000 -0.152 0.000 1.063 87 I HN 0.300 nan 8.210 nan 0.000 0.400 88 G N 1.798 110.167 108.800 -0.719 0.000 2.153 88 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 88 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 88 G C 0.336 174.607 174.900 -1.048 0.000 0.994 88 G CA 0.117 44.318 45.100 -1.499 0.000 0.698 88 G HN 0.942 nan 8.290 nan 0.000 0.521 89 A N 0.295 122.762 122.820 -0.588 0.000 2.316 89 A HA 0.811 5.131 4.320 -0.000 0.000 0.284 89 A C -0.222 177.288 177.584 -0.123 0.000 1.115 89 A CA -0.805 51.057 52.037 -0.292 0.000 0.812 89 A CB 1.055 19.900 19.000 -0.258 0.000 1.064 89 A HN 0.106 nan 8.150 nan 0.000 0.489 90 P HA 0.045 nan 4.420 nan 0.000 0.236 90 P C -0.013 177.293 177.300 0.010 0.000 1.177 90 P CA 0.929 64.071 63.100 0.071 0.000 0.773 90 P CB 0.455 32.182 31.700 0.045 0.000 0.878 91 D N -2.516 117.804 120.400 -0.133 0.000 3.235 91 D HA 0.123 4.763 4.640 -0.000 0.000 0.360 91 D C -0.677 175.454 176.300 -0.283 0.000 1.465 91 D CA -0.448 53.439 54.000 -0.188 0.000 0.874 91 D CB 0.378 41.151 40.800 -0.044 0.000 1.465 91 D HN -0.340 nan 8.370 nan 0.000 0.533 92 M N 0.962 120.412 119.600 -0.250 0.000 2.197 92 M HA 0.360 4.840 4.480 -0.000 0.000 0.305 92 M C 1.308 177.415 176.300 -0.321 0.000 1.162 92 M CA 0.059 55.173 55.300 -0.310 0.000 1.099 92 M CB 0.440 32.856 32.600 -0.307 0.000 1.430 92 M HN 0.610 nan 8.290 nan 0.000 0.481 93 A N 1.085 123.616 122.820 -0.482 0.000 1.902 93 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 93 A C 0.467 177.645 177.584 -0.677 0.000 1.181 93 A CA 1.587 53.190 52.037 -0.725 0.000 0.623 93 A CB -0.255 18.019 19.000 -1.210 0.000 0.818 93 A HN 0.564 nan 8.150 nan 0.000 0.443 94 F N -1.033 118.852 119.950 -0.109 0.000 2.449 94 F HA 0.377 4.904 4.527 -0.000 0.000 0.344 94 F C -2.150 173.604 175.800 -0.076 0.000 1.180 94 F CA -2.862 55.090 58.000 -0.080 0.000 1.209 94 F CB 1.068 40.026 39.000 -0.071 0.000 1.440 94 F HN 0.039 nan 8.300 nan 0.000 0.526 95 P HA -0.103 nan 4.420 nan 0.000 0.221 95 P C 1.777 179.103 177.300 0.043 0.000 1.150 95 P CA 1.117 64.225 63.100 0.014 0.000 0.800 95 P CB 0.357 32.054 31.700 -0.005 0.000 0.787 96 R N -0.761 119.779 120.500 0.066 0.000 2.090 96 R HA 0.150 4.490 4.340 -0.000 0.000 0.219 96 R C 2.268 178.609 176.300 0.069 0.000 1.100 96 R CA 0.575 56.709 56.100 0.056 0.000 0.991 96 R CB -0.689 29.630 30.300 0.032 0.000 0.893 96 R HN 0.005 nan 8.270 nan 0.000 0.443 97 M N 1.318 120.963 119.600 0.074 0.000 2.144 97 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 97 M C 1.715 178.070 176.300 0.091 0.000 1.067 97 M CA 1.908 57.247 55.300 0.065 0.000 1.095 97 M CB -0.247 32.383 32.600 0.050 0.000 1.365 97 M HN 0.147 nan 8.290 nan 0.000 0.406 98 N N 0.713 119.468 118.700 0.091 0.000 2.137 98 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 98 N C 1.304 176.898 175.510 0.139 0.000 1.017 98 N CA 1.798 54.896 53.050 0.081 0.000 0.859 98 N CB -0.437 38.061 38.487 0.020 0.000 1.002 98 N HN 0.438 nan 8.380 nan 0.000 0.428 99 N N -0.198 118.581 118.700 0.133 0.000 2.270 99 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 99 N C 1.693 177.358 175.510 0.259 0.000 1.016 99 N CA 0.674 53.842 53.050 0.197 0.000 0.870 99 N CB -0.182 38.444 38.487 0.232 0.000 0.979 99 N HN 0.326 nan 8.380 nan 0.000 0.431 100 M N -0.650 119.064 119.600 0.191 0.000 2.229 100 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 100 M C 1.606 177.970 176.300 0.106 0.000 1.063 100 M CA 1.024 56.422 55.300 0.164 0.000 1.114 100 M CB 0.042 32.700 32.600 0.096 0.000 1.387 100 M HN 0.036 nan 8.290 nan 0.000 0.420 101 S N 0.083 115.854 115.700 0.118 0.000 2.402 101 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 101 S C 1.420 176.033 174.600 0.022 0.000 1.021 101 S CA 1.065 59.340 58.200 0.125 0.000 0.974 101 S CB -0.410 62.926 63.200 0.228 0.000 0.800 101 S HN 0.615 nan 8.310 nan 0.000 0.484 102 F N 0.755 120.585 119.950 -0.200 0.000 2.128 102 F HA -0.002 4.525 4.527 -0.000 0.000 0.295 102 F C 1.614 177.030 175.800 -0.640 0.000 1.100 102 F CA 1.005 58.528 58.000 -0.794 0.000 1.260 102 F CB -0.613 37.744 39.000 -1.073 0.000 1.009 102 F HN 0.219 nan 8.300 nan 0.000 0.476 103 W N 0.561 121.612 121.300 -0.415 0.000 2.525 103 W HA -0.043 4.617 4.660 -0.000 0.000 0.259 103 W C 2.065 178.372 176.519 -0.354 0.000 1.253 103 W CA 0.480 57.586 57.345 -0.398 0.000 1.262 103 W CB -0.355 29.068 29.460 -0.061 0.000 1.122 103 W HN 0.029 nan 8.180 nan 0.000 0.607 104 L N -0.119 121.035 121.223 -0.115 0.000 2.362 104 L HA -0.188 4.152 4.340 -0.000 0.000 0.219 104 L C 2.056 178.840 176.870 -0.144 0.000 1.134 104 L CA 0.749 55.552 54.840 -0.062 0.000 0.807 104 L CB -0.478 41.571 42.059 -0.015 0.000 0.927 104 L HN 0.101 nan 8.230 nan 0.000 0.447 105 L N -0.469 120.493 121.223 -0.435 0.000 2.109 105 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 105 L C -0.222 176.494 176.870 -0.257 0.000 1.086 105 L CA 1.074 55.635 54.840 -0.465 0.000 0.760 105 L CB -1.598 39.824 42.059 -1.061 0.000 0.910 105 L HN 0.207 nan 8.230 nan 0.000 0.437 106 P HA -0.081 nan 4.420 nan 0.000 0.216 106 P C -1.387 175.966 177.300 0.088 0.000 1.153 106 P CA 1.320 64.494 63.100 0.123 0.000 0.848 106 P CB -0.937 30.849 31.700 0.142 0.000 0.787 107 P HA -0.135 nan 4.420 nan 0.000 0.217 107 P C 1.854 179.205 177.300 0.085 0.000 1.150 107 P CA 1.676 64.812 63.100 0.059 0.000 0.832 107 P CB -0.447 31.280 31.700 0.044 0.000 0.787 108 S N -1.608 114.149 115.700 0.095 0.000 2.368 108 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 108 S C 1.835 176.549 174.600 0.190 0.000 1.029 108 S CA 0.754 59.062 58.200 0.181 0.000 0.988 108 S CB -1.087 62.290 63.200 0.295 0.000 0.838 108 S HN 0.045 nan 8.310 nan 0.000 0.462 109 F N 0.853 120.632 119.950 -0.284 0.000 2.186 109 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 109 F C 2.051 177.787 175.800 -0.106 0.000 1.090 109 F CA 0.813 58.504 58.000 -0.514 0.000 1.307 109 F CB -0.079 38.535 39.000 -0.644 0.000 1.019 109 F HN 0.304 nan 8.300 nan 0.000 0.489 110 L N 0.814 122.124 121.223 0.144 0.000 2.046 110 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 110 L C 1.946 178.890 176.870 0.123 0.000 1.077 110 L CA 1.712 56.600 54.840 0.080 0.000 0.747 110 L CB -0.809 41.274 42.059 0.040 0.000 0.896 110 L HN 0.140 nan 8.230 nan 0.000 0.432 111 L N -1.291 120.017 121.223 0.142 0.000 2.046 111 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 111 L C 2.468 179.440 176.870 0.169 0.000 1.077 111 L CA 1.158 56.087 54.840 0.147 0.000 0.747 111 L CB -0.676 41.478 42.059 0.158 0.000 0.896 111 L HN 0.358 nan 8.230 nan 0.000 0.432 112 L N -0.479 120.887 121.223 0.237 0.000 2.093 112 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 112 L C 2.243 179.267 176.870 0.256 0.000 1.085 112 L CA 1.569 56.560 54.840 0.252 0.000 0.755 112 L CB -0.243 42.070 42.059 0.423 0.000 0.904 112 L HN 0.108 nan 8.230 nan 0.000 0.435 113 L N -0.897 120.483 121.223 0.262 0.000 2.141 113 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 113 L C 2.652 179.599 176.870 0.129 0.000 1.094 113 L CA 0.915 55.864 54.840 0.181 0.000 0.763 113 L CB -0.865 41.255 42.059 0.100 0.000 0.908 113 L HN 0.355 nan 8.230 nan 0.000 0.437 114 A N 0.373 123.264 122.820 0.117 0.000 1.877 114 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 114 A C 2.555 180.202 177.584 0.104 0.000 1.186 114 A CA 2.058 54.153 52.037 0.097 0.000 0.620 114 A CB -0.848 18.207 19.000 0.092 0.000 0.822 114 A HN 0.506 nan 8.150 nan 0.000 0.443 115 S N 0.668 116.439 115.700 0.117 0.000 2.387 115 S HA -0.221 4.249 4.470 -0.000 0.000 0.230 115 S C 2.010 176.680 174.600 0.116 0.000 1.035 115 S CA 2.210 60.477 58.200 0.110 0.000 1.014 115 S CB -0.926 62.332 63.200 0.096 0.000 0.836 115 S HN 1.053 nan 8.310 nan 0.000 0.466 116 S N 0.122 115.898 115.700 0.128 0.000 2.527 116 S HA 0.239 4.709 4.470 -0.000 0.000 0.222 116 S C 1.753 176.413 174.600 0.101 0.000 0.985 116 S CA 0.299 58.573 58.200 0.123 0.000 0.921 116 S CB -0.250 63.034 63.200 0.139 0.000 0.772 116 S HN 0.402 nan 8.310 nan 0.000 0.529 117 M N 1.939 121.593 119.600 0.091 0.000 2.466 117 M HA 0.292 4.772 4.480 -0.000 0.000 0.265 117 M C 0.882 177.223 176.300 0.068 0.000 1.122 117 M CA 0.371 55.715 55.300 0.073 0.000 1.157 117 M CB -0.318 32.321 32.600 0.064 0.000 1.352 117 M HN 0.381 nan 8.290 nan 0.000 0.464 118 V N -0.522 119.436 119.914 0.074 0.000 2.686 118 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 118 V C 0.821 176.958 176.094 0.071 0.000 1.057 118 V CA -0.943 61.398 62.300 0.068 0.000 1.012 118 V CB 1.008 32.874 31.823 0.070 0.000 1.006 118 V HN 0.541 nan 8.190 nan 0.000 0.477 119 E N 2.788 123.024 120.200 0.060 0.000 3.304 119 E HA -0.350 4.000 4.350 -0.000 0.000 0.365 119 E C 0.873 177.509 176.600 0.061 0.000 1.512 119 E CA 2.080 58.514 56.400 0.057 0.000 1.642 119 E CB -1.611 28.128 29.700 0.065 0.000 1.738 119 E HN 1.553 nan 8.360 nan 0.000 0.483 120 A N 1.448 124.310 122.820 0.070 0.000 2.606 120 A HA 0.531 4.851 4.320 -0.000 0.000 0.290 120 A C 0.769 178.422 177.584 0.115 0.000 1.174 120 A CA 1.465 53.545 52.037 0.073 0.000 0.958 120 A CB 0.261 19.285 19.000 0.040 0.000 1.194 120 A HN 1.426 nan 8.150 nan 0.000 0.526 121 G N -1.026 107.852 108.800 0.130 0.000 2.795 121 G HA2 0.357 4.317 3.960 -0.000 0.000 0.664 121 G HA3 0.357 4.317 3.960 -0.000 0.000 0.664 121 G C 0.010 175.034 174.900 0.207 0.000 1.381 121 G CA -0.353 44.837 45.100 0.150 0.000 0.853 121 G HN 1.767 nan 8.290 nan 0.000 0.545 122 A N 0.257 123.167 122.820 0.150 0.000 2.412 122 A HA 0.750 5.070 4.320 -0.000 0.000 0.334 122 A C 0.823 178.426 177.584 0.031 0.000 1.419 122 A CA 0.771 52.831 52.037 0.039 0.000 0.930 122 A CB 0.475 19.474 19.000 -0.001 0.000 1.149 122 A HN 2.315 nan 8.150 nan 0.000 0.515 123 G N 1.610 110.497 108.800 0.145 0.000 3.964 123 G HA2 0.375 4.335 3.960 -0.000 0.000 0.289 123 G HA3 0.375 4.335 3.960 -0.000 0.000 0.289 123 G C 0.675 175.599 174.900 0.040 0.000 1.176 123 G CA 0.490 45.683 45.100 0.156 0.000 1.553 123 G HN 0.778 nan 8.290 nan 0.000 0.588 124 T N -2.526 111.968 114.554 -0.100 0.000 2.985 124 T HA 0.497 4.847 4.350 -0.000 0.000 0.254 124 T C 1.176 175.797 174.700 -0.131 0.000 1.021 124 T CA 0.461 62.462 62.100 -0.165 0.000 0.957 124 T CB 0.660 69.370 68.868 -0.264 0.000 1.047 124 T HN 1.584 nan 8.240 nan 0.000 0.511 125 G N 1.716 110.464 108.800 -0.087 0.000 2.705 125 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 125 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 125 G C 0.199 174.973 174.900 -0.209 0.000 1.285 125 G CA -0.265 44.760 45.100 -0.124 0.000 0.800 125 G HN 0.617 nan 8.290 nan 0.000 0.611 126 W N 0.640 121.640 121.300 -0.500 0.000 2.825 126 W HA 0.037 4.697 4.660 -0.000 0.000 0.243 126 W C 1.451 177.677 176.519 -0.488 0.000 1.293 126 W CA 1.695 58.524 57.345 -0.860 0.000 1.403 126 W CB -1.501 27.365 29.460 -0.990 0.000 1.134 126 W HN 0.989 nan 8.180 nan 0.000 0.666 127 T N -1.046 112.838 114.554 -1.116 0.000 3.055 127 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 127 T C 1.198 175.364 174.700 -0.891 0.000 1.111 127 T CA 0.797 61.920 62.100 -1.628 0.000 1.118 127 T CB -0.775 67.104 68.868 -1.648 0.000 0.909 127 T HN 0.122 nan 8.240 nan 0.000 0.501 128 V N 0.620 120.244 119.914 -0.483 0.000 5.325 128 V HA -0.230 3.890 4.120 -0.000 0.000 0.291 128 V C 0.167 176.022 176.094 -0.398 0.000 0.541 128 V CA 0.322 62.451 62.300 -0.285 0.000 0.687 128 V CB -2.942 28.811 31.823 -0.117 0.000 0.491 128 V HN 0.714 nan 8.190 nan 0.000 1.145 129 Y N 1.795 121.796 120.300 -0.499 0.000 2.526 129 Y HA 0.254 4.804 4.550 -0.000 0.000 0.330 129 Y C -0.909 174.698 175.900 -0.489 0.000 1.156 129 Y CA -1.881 55.874 58.100 -0.574 0.000 1.419 129 Y CB 0.965 39.271 38.460 -0.256 0.000 1.250 129 Y HN 0.259 nan 8.280 nan 0.000 0.540 130 P HA 0.128 nan 4.420 nan 0.000 0.276 130 P C -2.429 174.825 177.300 -0.076 0.000 1.244 130 P CA -1.838 61.139 63.100 -0.206 0.000 0.801 130 P CB 0.992 32.582 31.700 -0.182 0.000 1.006 131 P HA 0.067 nan 4.420 nan 0.000 0.245 131 P C 1.396 178.721 177.300 0.042 0.000 1.206 131 P CA 0.020 63.136 63.100 0.027 0.000 0.781 131 P CB -0.061 31.669 31.700 0.051 0.000 0.994 132 L N 0.458 121.711 121.223 0.050 0.000 2.079 132 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 132 L C 1.858 178.805 176.870 0.128 0.000 1.081 132 L CA 1.883 56.789 54.840 0.110 0.000 0.752 132 L CB -1.288 40.829 42.059 0.097 0.000 0.896 132 L HN -0.065 nan 8.230 nan 0.000 0.433 133 A N -0.991 121.812 122.820 -0.027 0.000 2.278 133 A HA 0.474 4.794 4.320 -0.000 0.000 0.212 133 A C 1.279 178.847 177.584 -0.026 0.000 1.213 133 A CA 0.302 52.276 52.037 -0.105 0.000 0.840 133 A CB -1.196 17.665 19.000 -0.232 0.000 0.866 133 A HN 0.465 nan 8.150 nan 0.000 0.489 134 G N -0.074 108.742 108.800 0.027 0.000 2.543 134 G HA2 0.308 4.268 3.960 -0.000 0.000 0.290 134 G HA3 0.308 4.268 3.960 -0.000 0.000 0.290 134 G C 0.539 175.482 174.900 0.072 0.000 1.310 134 G CA 0.106 45.233 45.100 0.046 0.000 1.025 134 G HN 0.420 nan 8.290 nan 0.000 0.502 135 N N -1.016 117.720 118.700 0.060 0.000 2.461 135 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 135 N C 1.377 176.915 175.510 0.048 0.000 1.134 135 N CA 0.235 53.319 53.050 0.057 0.000 0.878 135 N CB 0.233 38.748 38.487 0.046 0.000 0.972 135 N HN 0.273 nan 8.380 nan 0.000 0.456 136 L N -0.307 120.943 121.223 0.046 0.000 2.349 136 L HA 0.489 4.829 4.340 -0.000 0.000 0.200 136 L C 1.987 178.870 176.870 0.021 0.000 1.064 136 L CA 1.030 55.888 54.840 0.030 0.000 0.821 136 L CB -0.936 41.141 42.059 0.030 0.000 1.027 136 L HN 0.147 nan 8.230 nan 0.000 0.476 137 A N -1.935 120.909 122.820 0.039 0.000 2.072 137 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 137 A C 0.349 177.902 177.584 -0.053 0.000 1.156 137 A CA 0.644 52.692 52.037 0.018 0.000 0.701 137 A CB -0.643 18.401 19.000 0.073 0.000 0.816 137 A HN 0.600 nan 8.150 nan 0.000 0.458 138 H N -0.640 118.439 119.070 0.015 0.000 2.439 138 H HA 0.563 5.119 4.556 -0.000 0.000 0.230 138 H C 0.180 175.519 175.328 0.018 0.000 1.420 138 H CA -0.099 55.959 56.048 0.016 0.000 1.305 138 H CB 0.416 30.184 29.762 0.010 0.000 1.667 138 H HN 0.425 nan 8.280 nan 0.000 0.515 139 A N 1.128 123.972 122.820 0.040 0.000 2.483 139 A HA 0.564 4.884 4.320 -0.000 0.000 0.238 139 A C 1.036 178.654 177.584 0.056 0.000 1.070 139 A CA 0.809 52.873 52.037 0.045 0.000 0.770 139 A CB -0.191 18.821 19.000 0.020 0.000 1.008 139 A HN 0.855 nan 8.150 nan 0.000 0.497 140 G N -0.764 108.071 108.800 0.060 0.000 2.525 140 G HA2 0.375 4.335 3.960 -0.000 0.000 0.685 140 G HA3 0.375 4.335 3.960 -0.000 0.000 0.685 140 G C 0.603 175.548 174.900 0.076 0.000 1.290 140 G CA 0.103 45.241 45.100 0.063 0.000 0.915 140 G HN 1.962 nan 8.290 nan 0.000 0.548 141 A N -0.388 122.479 122.820 0.078 0.000 2.119 141 A HA 0.362 4.682 4.320 -0.000 0.000 0.216 141 A C 2.596 180.231 177.584 0.085 0.000 1.152 141 A CA 2.416 54.505 52.037 0.087 0.000 0.708 141 A CB -0.488 18.567 19.000 0.093 0.000 0.805 141 A HN 1.443 nan 8.150 nan 0.000 0.460 142 S N -0.304 115.452 115.700 0.093 0.000 2.356 142 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 142 S C 1.864 176.493 174.600 0.049 0.000 1.032 142 S CA 1.591 59.846 58.200 0.092 0.000 1.005 142 S CB -0.399 62.878 63.200 0.129 0.000 0.867 142 S HN 0.368 nan 8.310 nan 0.000 0.449 143 V N 2.521 122.453 119.914 0.030 0.000 2.490 143 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 143 V C 1.947 177.976 176.094 -0.108 0.000 1.061 143 V CA 1.593 63.860 62.300 -0.055 0.000 1.064 143 V CB -0.646 31.135 31.823 -0.071 0.000 0.670 143 V HN 0.426 nan 8.190 nan 0.000 0.461 144 D N -0.002 120.347 120.400 -0.084 0.000 2.144 144 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 144 D C 2.145 178.339 176.300 -0.178 0.000 0.978 144 D CA 1.081 54.957 54.000 -0.207 0.000 0.833 144 D CB -0.047 40.711 40.800 -0.071 0.000 0.961 144 D HN 0.352 nan 8.370 nan 0.000 0.470 145 L N 0.671 121.921 121.223 0.044 0.000 2.093 145 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 145 L C 2.519 179.409 176.870 0.032 0.000 1.085 145 L CA 0.978 55.911 54.840 0.155 0.000 0.755 145 L CB -0.385 41.758 42.059 0.141 0.000 0.904 145 L HN 0.002 nan 8.230 nan 0.000 0.435 146 T N -0.010 114.502 114.554 -0.070 0.000 2.777 146 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 146 T C 1.912 176.421 174.700 -0.319 0.000 1.040 146 T CA 1.176 63.158 62.100 -0.198 0.000 1.141 146 T CB -0.132 68.632 68.868 -0.174 0.000 0.868 146 T HN 0.163 nan 8.240 nan 0.000 0.444 147 I N 0.437 120.796 120.570 -0.350 0.000 2.127 147 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 147 I C 2.027 177.850 176.117 -0.490 0.000 1.075 147 I CA 1.522 62.523 61.300 -0.499 0.000 1.334 147 I CB -0.403 37.244 38.000 -0.588 0.000 1.040 147 I HN 0.170 nan 8.210 nan 0.000 0.405 148 F N 0.350 120.233 119.950 -0.111 0.000 2.171 148 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 148 F C 2.936 178.716 175.800 -0.033 0.000 1.090 148 F CA 1.463 59.471 58.000 0.012 0.000 1.293 148 F CB -1.250 37.786 39.000 0.061 0.000 1.013 148 F HN 0.040 nan 8.300 nan 0.000 0.486 149 S N 0.302 116.055 115.700 0.089 0.000 2.370 149 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 149 S C 2.125 176.665 174.600 -0.100 0.000 1.033 149 S CA 1.282 59.508 58.200 0.042 0.000 1.011 149 S CB -0.435 62.764 63.200 -0.001 0.000 0.852 149 S HN 0.366 nan 8.310 nan 0.000 0.457 150 L N 0.015 121.042 121.223 -0.327 0.000 2.156 150 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 150 L C 2.434 179.146 176.870 -0.262 0.000 1.095 150 L CA 1.452 55.995 54.840 -0.496 0.000 0.770 150 L CB -0.646 41.032 42.059 -0.635 0.000 0.914 150 L HN 0.455 nan 8.230 nan 0.000 0.439 151 H N -0.468 118.538 119.070 -0.108 0.000 2.353 151 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 151 H C 2.297 177.623 175.328 -0.003 0.000 1.090 151 H CA 1.054 57.085 56.048 -0.029 0.000 1.327 151 H CB 0.232 30.050 29.762 0.094 0.000 1.383 151 H HN 0.206 nan 8.280 nan 0.000 0.508 152 L N -0.257 121.064 121.223 0.162 0.000 2.131 152 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 152 L C 2.786 179.710 176.870 0.090 0.000 1.087 152 L CA 0.782 55.689 54.840 0.111 0.000 0.767 152 L CB -0.561 41.562 42.059 0.107 0.000 0.917 152 L HN 0.333 nan 8.230 nan 0.000 0.441 153 A N 0.548 123.413 122.820 0.075 0.000 1.902 153 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 153 A C 2.382 180.024 177.584 0.097 0.000 1.181 153 A CA 1.684 53.781 52.037 0.101 0.000 0.623 153 A CB -1.083 17.917 19.000 -0.000 0.000 0.818 153 A HN 0.426 nan 8.150 nan 0.000 0.443 154 G N -0.472 108.347 108.800 0.032 0.000 2.433 154 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 154 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 154 G C 1.514 176.459 174.900 0.076 0.000 1.186 154 G CA 1.308 46.436 45.100 0.046 0.000 0.779 154 G HN 0.324 nan 8.290 nan 0.000 0.543 155 V N 0.901 120.857 119.914 0.070 0.000 2.407 155 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 155 V C 3.053 179.193 176.094 0.077 0.000 1.055 155 V CA 2.169 64.505 62.300 0.061 0.000 1.049 155 V CB -0.337 31.512 31.823 0.043 0.000 0.662 155 V HN 0.511 nan 8.190 nan 0.000 0.455 156 S N -0.261 115.493 115.700 0.090 0.000 2.359 156 S HA -0.229 4.241 4.470 -0.000 0.000 0.224 156 S C 2.189 176.876 174.600 0.145 0.000 1.035 156 S CA 2.346 60.612 58.200 0.110 0.000 1.018 156 S CB -0.276 62.989 63.200 0.109 0.000 0.876 156 S HN 0.593 nan 8.310 nan 0.000 0.448 157 S N 0.662 116.453 115.700 0.152 0.000 2.414 157 S HA 0.188 4.658 4.470 -0.000 0.000 0.227 157 S C 1.727 176.417 174.600 0.150 0.000 1.022 157 S CA 0.909 59.210 58.200 0.167 0.000 0.958 157 S CB -0.327 62.982 63.200 0.182 0.000 0.797 157 S HN 0.519 nan 8.310 nan 0.000 0.493 158 I N 1.554 122.198 120.570 0.123 0.000 2.202 158 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 158 I C 1.960 178.138 176.117 0.103 0.000 1.091 158 I CA 1.082 62.447 61.300 0.108 0.000 1.368 158 I CB -0.329 37.719 38.000 0.079 0.000 1.058 158 I HN 0.235 nan 8.210 nan 0.000 0.410 159 L N 0.233 121.510 121.223 0.090 0.000 2.083 159 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 159 L C 2.680 179.617 176.870 0.112 0.000 1.083 159 L CA 1.557 56.446 54.840 0.082 0.000 0.752 159 L CB -1.334 40.761 42.059 0.060 0.000 0.899 159 L HN 0.345 nan 8.230 nan 0.000 0.433 160 G N -0.199 108.686 108.800 0.141 0.000 2.418 160 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 160 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 160 G C 1.792 176.828 174.900 0.228 0.000 1.158 160 G CA 0.852 46.052 45.100 0.166 0.000 0.771 160 G HN 0.466 nan 8.290 nan 0.000 0.545 161 A N 0.689 123.642 122.820 0.221 0.000 1.902 161 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 161 A C 2.408 180.099 177.584 0.179 0.000 1.181 161 A CA 1.254 53.423 52.037 0.220 0.000 0.623 161 A CB -0.349 18.747 19.000 0.160 0.000 0.818 161 A HN 0.380 nan 8.150 nan 0.000 0.443 162 I N -0.205 120.454 120.570 0.148 0.000 2.179 162 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 162 I C 2.474 178.702 176.117 0.186 0.000 1.088 162 I CA 1.395 62.789 61.300 0.156 0.000 1.357 162 I CB -0.419 37.661 38.000 0.134 0.000 1.051 162 I HN 0.353 nan 8.210 nan 0.000 0.409 163 N N 0.936 119.732 118.700 0.159 0.000 2.084 163 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 163 N C 1.888 177.290 175.510 -0.181 0.000 1.030 163 N CA 1.675 54.738 53.050 0.021 0.000 0.849 163 N CB -0.253 38.175 38.487 -0.097 0.000 1.012 163 N HN 0.221 nan 8.380 nan 0.000 0.423 164 F N 1.029 120.969 119.950 -0.017 0.000 2.113 164 F HA -0.015 4.512 4.527 -0.000 0.000 0.297 164 F C 2.338 178.083 175.800 -0.092 0.000 1.103 164 F CA 0.640 58.595 58.000 -0.074 0.000 1.248 164 F CB -0.230 38.728 39.000 -0.070 0.000 0.999 164 F HN -0.007 nan 8.300 nan 0.000 0.475 165 I N -0.483 120.165 120.570 0.130 0.000 2.163 165 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 165 I C 2.279 178.380 176.117 -0.027 0.000 1.085 165 I CA 1.708 63.032 61.300 0.040 0.000 1.347 165 I CB -0.862 37.171 38.000 0.055 0.000 1.044 165 I HN 0.124 nan 8.210 nan 0.000 0.408 166 T N -0.250 114.280 114.554 -0.040 0.000 2.777 166 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 166 T C 1.920 176.494 174.700 -0.211 0.000 1.040 166 T CA 1.936 63.962 62.100 -0.122 0.000 1.141 166 T CB -0.319 68.435 68.868 -0.189 0.000 0.868 166 T HN 0.368 nan 8.240 nan 0.000 0.444 167 T N 2.006 116.412 114.554 -0.247 0.000 2.708 167 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 167 T C 1.960 176.550 174.700 -0.183 0.000 1.037 167 T CA 0.931 62.877 62.100 -0.257 0.000 1.146 167 T CB -0.350 68.362 68.868 -0.261 0.000 0.865 167 T HN 0.317 nan 8.240 nan 0.000 0.435 168 I N 0.341 120.830 120.570 -0.134 0.000 2.353 168 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 168 I C 1.942 177.945 176.117 -0.190 0.000 1.119 168 I CA 0.745 61.951 61.300 -0.157 0.000 1.417 168 I CB -0.175 37.735 38.000 -0.150 0.000 1.078 168 I HN 0.177 nan 8.210 nan 0.000 0.421 169 I N 0.548 121.020 120.570 -0.164 0.000 2.406 169 I HA -0.183 3.987 4.170 -0.000 0.000 0.249 169 I C 2.046 178.080 176.117 -0.140 0.000 1.122 169 I CA 1.478 62.685 61.300 -0.155 0.000 1.431 169 I CB -1.214 36.720 38.000 -0.109 0.000 1.087 169 I HN 0.247 nan 8.210 nan 0.000 0.424 170 N N -0.337 118.276 118.700 -0.144 0.000 2.322 170 N HA 0.107 4.847 4.740 -0.000 0.000 0.181 170 N C 1.134 176.560 175.510 -0.141 0.000 1.088 170 N CA 0.484 53.455 53.050 -0.131 0.000 0.885 170 N CB 0.276 38.679 38.487 -0.139 0.000 1.013 170 N HN 0.143 nan 8.380 nan 0.000 0.472 171 M N -0.064 119.438 119.600 -0.163 0.000 2.589 171 M HA 0.227 4.707 4.480 -0.000 0.000 0.344 171 M C -0.401 175.800 176.300 -0.165 0.000 1.168 171 M CA -0.182 55.018 55.300 -0.167 0.000 0.956 171 M CB 0.762 33.244 32.600 -0.196 0.000 1.370 171 M HN -0.163 nan 8.290 nan 0.000 0.518 172 K N 1.195 121.503 120.400 -0.153 0.000 2.090 172 K HA 0.427 4.747 4.320 -0.000 0.000 0.250 172 K C -2.407 174.116 176.600 -0.128 0.000 1.004 172 K CA -1.648 54.550 56.287 -0.148 0.000 0.919 172 K CB 0.134 32.551 32.500 -0.138 0.000 1.045 172 K HN -0.139 nan 8.250 nan 0.000 0.471 173 P HA 0.009 nan 4.420 nan 0.000 0.267 173 P C -2.141 175.104 177.300 -0.092 0.000 1.200 173 P CA -0.953 62.085 63.100 -0.103 0.000 0.772 173 P CB 0.133 31.777 31.700 -0.094 0.000 0.855 174 P HA -0.135 nan 4.420 nan 0.000 0.221 174 P C 0.874 178.130 177.300 -0.073 0.000 1.145 174 P CA 1.364 64.418 63.100 -0.077 0.000 0.795 174 P CB -0.199 31.456 31.700 -0.075 0.000 0.775 175 A N -1.454 121.316 122.820 -0.082 0.000 2.218 175 A HA 0.118 4.438 4.320 -0.000 0.000 0.209 175 A C 1.207 178.764 177.584 -0.046 0.000 1.168 175 A CA -0.001 51.996 52.037 -0.067 0.000 0.804 175 A CB -0.831 18.118 19.000 -0.086 0.000 0.834 175 A HN 0.188 nan 8.150 nan 0.000 0.482 176 M N 2.001 121.570 119.600 -0.053 0.000 2.084 176 M HA 0.341 4.821 4.480 -0.000 0.000 0.351 176 M C 0.390 176.663 176.300 -0.045 0.000 1.240 176 M CA -0.334 54.943 55.300 -0.037 0.000 1.083 176 M CB 0.813 33.383 32.600 -0.050 0.000 1.593 176 M HN 0.368 nan 8.290 nan 0.000 0.463 177 S N 3.348 119.038 115.700 -0.017 0.000 2.641 177 S HA 0.124 4.593 4.470 -0.000 0.000 0.261 177 S C 0.675 175.214 174.600 -0.103 0.000 1.257 177 S CA -0.344 57.829 58.200 -0.045 0.000 0.983 177 S CB 1.107 64.325 63.200 0.030 0.000 0.990 177 S HN 0.838 nan 8.310 nan 0.000 0.572 178 Q N -0.509 119.130 119.800 -0.267 0.000 2.291 178 Q HA 0.062 4.402 4.340 -0.000 0.000 0.205 178 Q C 0.444 176.435 176.000 -0.015 0.000 0.970 178 Q CA 1.504 57.092 55.803 -0.358 0.000 0.876 178 Q CB -0.511 27.883 28.738 -0.573 0.000 0.935 178 Q HN 0.838 nan 8.270 nan 0.000 0.455 179 Y N -1.026 119.516 120.300 0.403 0.000 2.470 179 Y HA 0.225 4.775 4.550 -0.000 0.000 0.284 179 Y C 0.728 176.799 175.900 0.285 0.000 1.188 179 Y CA 0.077 58.501 58.100 0.539 0.000 1.269 179 Y CB 0.261 38.942 38.460 0.369 0.000 1.094 179 Y HN 0.085 nan 8.280 nan 0.000 0.518 180 Q N -0.210 119.751 119.800 0.268 0.000 2.159 180 Q HA 0.123 4.463 4.340 -0.000 0.000 0.217 180 Q C 0.364 176.458 176.000 0.156 0.000 0.818 180 Q CA -0.167 55.703 55.803 0.113 0.000 1.008 180 Q CB 0.802 29.572 28.738 0.054 0.000 1.148 180 Q HN 0.279 nan 8.270 nan 0.000 0.491 181 T N -2.253 112.477 114.554 0.295 0.000 2.907 181 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 181 T C -2.566 172.413 174.700 0.464 0.000 1.004 181 T CA -2.319 59.912 62.100 0.218 0.000 1.063 181 T CB 1.579 70.412 68.868 -0.058 0.000 0.992 181 T HN -0.235 nan 8.240 nan 0.000 0.483 182 P HA 0.211 nan 4.420 nan 0.000 0.271 182 P C 1.046 178.763 177.300 0.695 0.000 1.233 182 P CA -0.531 62.904 63.100 0.560 0.000 0.789 182 P CB 0.459 32.519 31.700 0.599 0.000 0.951 183 L N 0.233 121.877 121.223 0.701 0.000 2.131 183 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 183 L C 2.157 179.388 176.870 0.602 0.000 1.092 183 L CA 1.314 56.505 54.840 0.587 0.000 0.759 183 L CB -0.626 41.678 42.059 0.408 0.000 0.903 183 L HN 0.366 nan 8.230 nan 0.000 0.435 184 F N 0.283 120.587 119.950 0.590 0.000 2.171 184 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 184 F C 2.168 178.048 175.800 0.132 0.000 1.090 184 F CA 1.325 59.425 58.000 0.167 0.000 1.293 184 F CB -0.202 38.621 39.000 -0.295 0.000 1.013 184 F HN -0.250 nan 8.300 nan 0.000 0.486 185 V N -1.178 118.785 119.914 0.082 0.000 2.453 185 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 185 V C 2.029 178.044 176.094 -0.132 0.000 1.048 185 V CA 1.805 64.028 62.300 -0.127 0.000 1.049 185 V CB -0.978 30.833 31.823 -0.020 0.000 0.672 185 V HN 0.473 nan 8.190 nan 0.000 0.457 186 W N 0.895 122.186 121.300 -0.014 0.000 2.363 186 W HA -0.217 4.443 4.660 -0.000 0.000 0.296 186 W C 2.980 179.455 176.519 -0.073 0.000 1.212 186 W CA 1.826 59.156 57.345 -0.025 0.000 1.260 186 W CB -0.464 29.005 29.460 0.015 0.000 1.131 186 W HN 0.372 nan 8.180 nan 0.000 0.530 187 S N -0.592 115.195 115.700 0.145 0.000 2.402 187 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 187 S C 1.713 176.230 174.600 -0.138 0.000 1.021 187 S CA 1.473 59.706 58.200 0.056 0.000 0.974 187 S CB -0.953 62.295 63.200 0.081 0.000 0.800 187 S HN 0.061 nan 8.310 nan 0.000 0.484 188 V N 1.889 121.574 119.914 -0.381 0.000 2.323 188 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 188 V C 2.606 178.543 176.094 -0.261 0.000 1.041 188 V CA 2.047 64.052 62.300 -0.491 0.000 1.025 188 V CB -0.792 30.525 31.823 -0.843 0.000 0.656 188 V HN 0.581 nan 8.190 nan 0.000 0.451 189 M N 0.032 119.531 119.600 -0.167 0.000 2.073 189 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 189 M C 1.964 178.277 176.300 0.021 0.000 1.070 189 M CA 2.252 57.513 55.300 -0.066 0.000 1.103 189 M CB -0.436 32.093 32.600 -0.119 0.000 1.321 189 M HN 0.251 nan 8.290 nan 0.000 0.405 190 I N -0.888 119.728 120.570 0.078 0.000 2.315 190 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 190 I C 2.091 178.260 176.117 0.087 0.000 1.117 190 I CA 1.503 62.879 61.300 0.126 0.000 1.404 190 I CB -0.741 37.367 38.000 0.179 0.000 1.071 190 I HN 0.364 nan 8.210 nan 0.000 0.419 191 T N 0.763 115.330 114.554 0.021 0.000 2.746 191 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 191 T C 2.051 176.766 174.700 0.024 0.000 1.039 191 T CA 1.527 63.626 62.100 -0.002 0.000 1.142 191 T CB -0.273 68.545 68.868 -0.082 0.000 0.866 191 T HN 0.478 nan 8.240 nan 0.000 0.444 192 A N 0.775 123.601 122.820 0.010 0.000 1.930 192 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 192 A C 2.548 180.197 177.584 0.109 0.000 1.175 192 A CA 1.104 53.183 52.037 0.071 0.000 0.627 192 A CB -0.864 18.196 19.000 0.100 0.000 0.815 192 A HN 0.361 nan 8.150 nan 0.000 0.443 193 V N -0.284 119.697 119.914 0.111 0.000 2.427 193 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 193 V C 2.463 178.678 176.094 0.201 0.000 1.051 193 V CA 1.681 64.061 62.300 0.134 0.000 1.048 193 V CB -0.709 31.193 31.823 0.133 0.000 0.666 193 V HN 0.472 nan 8.190 nan 0.000 0.456 194 L N -0.809 120.554 121.223 0.233 0.000 2.046 194 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 194 L C 2.214 179.242 176.870 0.264 0.000 1.077 194 L CA 1.775 56.811 54.840 0.326 0.000 0.747 194 L CB -0.805 41.343 42.059 0.148 0.000 0.896 194 L HN 0.230 nan 8.230 nan 0.000 0.432 195 L N -1.640 119.690 121.223 0.177 0.000 1.994 195 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 195 L C 2.481 179.466 176.870 0.191 0.000 1.071 195 L CA 0.909 55.857 54.840 0.180 0.000 0.745 195 L CB -0.592 41.555 42.059 0.147 0.000 0.892 195 L HN 0.230 nan 8.230 nan 0.000 0.431 196 L N -0.413 120.909 121.223 0.166 0.000 2.043 196 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 196 L C 2.167 179.123 176.870 0.142 0.000 1.075 196 L CA 1.866 56.786 54.840 0.135 0.000 0.752 196 L CB -0.211 41.914 42.059 0.110 0.000 0.891 196 L HN 0.149 nan 8.230 nan 0.000 0.432 197 L N -1.734 119.600 121.223 0.184 0.000 2.416 197 L HA 0.036 4.376 4.340 -0.000 0.000 0.216 197 L C 2.380 179.433 176.870 0.306 0.000 1.098 197 L CA 0.758 55.702 54.840 0.173 0.000 0.840 197 L CB -0.394 41.690 42.059 0.042 0.000 0.981 197 L HN 0.381 nan 8.230 nan 0.000 0.462 198 S N -0.275 115.655 115.700 0.384 0.000 2.404 198 S HA -0.011 4.459 4.470 -0.000 0.000 0.223 198 S C 1.911 176.724 174.600 0.356 0.000 1.040 198 S CA 0.189 58.640 58.200 0.419 0.000 0.957 198 S CB -0.495 62.882 63.200 0.294 0.000 0.826 198 S HN 0.251 nan 8.310 nan 0.000 0.491 199 L N 1.807 123.195 121.223 0.275 0.000 2.079 199 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 199 L C -0.748 176.121 176.870 -0.002 0.000 1.081 199 L CA 1.272 56.153 54.840 0.069 0.000 0.752 199 L CB -1.290 40.819 42.059 0.082 0.000 0.896 199 L HN 0.274 nan 8.230 nan 0.000 0.433 200 P HA -0.115 nan 4.420 nan 0.000 0.220 200 P C 1.815 179.112 177.300 -0.006 0.000 1.148 200 P CA 0.961 64.073 63.100 0.020 0.000 0.803 200 P CB 0.169 31.891 31.700 0.036 0.000 0.782 201 V N -0.497 119.437 119.914 0.033 0.000 2.379 201 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 201 V C 2.287 178.327 176.094 -0.090 0.000 1.044 201 V CA 1.394 63.689 62.300 -0.008 0.000 1.036 201 V CB -1.129 30.756 31.823 0.103 0.000 0.664 201 V HN 0.076 nan 8.190 nan 0.000 0.453 202 L N 0.969 122.093 121.223 -0.165 0.000 2.093 202 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 202 L C 2.404 179.124 176.870 -0.250 0.000 1.085 202 L CA 2.238 56.859 54.840 -0.364 0.000 0.755 202 L CB -0.822 40.738 42.059 -0.833 0.000 0.904 202 L HN 0.200 nan 8.230 nan 0.000 0.435 203 A N -0.320 122.404 122.820 -0.161 0.000 1.902 203 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 203 A C 2.485 180.073 177.584 0.008 0.000 1.181 203 A CA 1.697 53.720 52.037 -0.023 0.000 0.623 203 A CB -1.190 17.837 19.000 0.045 0.000 0.818 203 A HN 0.577 nan 8.150 nan 0.000 0.443 204 A N -0.320 122.476 122.820 -0.041 0.000 1.873 204 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 204 A C 2.469 180.014 177.584 -0.065 0.000 1.193 204 A CA 2.262 54.260 52.037 -0.064 0.000 0.629 204 A CB -1.555 17.390 19.000 -0.091 0.000 0.826 204 A HN 0.789 nan 8.150 nan 0.000 0.447 205 G N 0.467 109.226 108.800 -0.069 0.000 2.421 205 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 205 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 205 G C 1.509 176.497 174.900 0.145 0.000 1.171 205 G CA 1.301 46.400 45.100 -0.002 0.000 0.775 205 G HN 0.894 nan 8.290 nan 0.000 0.543 206 I N -1.856 118.742 120.570 0.046 0.000 2.928 206 I HA 0.064 4.234 4.170 -0.000 0.000 0.266 206 I C 2.231 178.367 176.117 0.032 0.000 1.234 206 I CA 1.335 62.673 61.300 0.063 0.000 1.483 206 I CB -0.541 37.368 38.000 -0.152 0.000 1.097 206 I HN -0.078 nan 8.210 nan 0.000 0.455 207 T N 1.531 116.129 114.554 0.074 0.000 2.857 207 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 207 T C 1.918 176.645 174.700 0.046 0.000 1.048 207 T CA 1.565 63.731 62.100 0.111 0.000 1.139 207 T CB -0.170 68.767 68.868 0.116 0.000 0.874 207 T HN 0.318 nan 8.240 nan 0.000 0.455 208 M N 0.383 119.964 119.600 -0.031 0.000 2.159 208 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 208 M C 2.187 178.589 176.300 0.170 0.000 1.063 208 M CA 1.103 56.298 55.300 -0.174 0.000 1.110 208 M CB -0.382 31.813 32.600 -0.675 0.000 1.374 208 M HN 0.165 nan 8.290 nan 0.000 0.411 209 L N 0.490 121.948 121.223 0.390 0.000 2.056 209 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 209 L C 2.146 179.098 176.870 0.136 0.000 1.078 209 L CA 1.541 56.588 54.840 0.345 0.000 0.749 209 L CB -0.698 41.483 42.059 0.203 0.000 0.901 209 L HN 0.208 nan 8.230 nan 0.000 0.433 210 L N -0.651 120.605 121.223 0.055 0.000 2.042 210 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 210 L C 2.572 179.479 176.870 0.061 0.000 1.076 210 L CA 2.523 57.359 54.840 -0.006 0.000 0.749 210 L CB -0.936 41.092 42.059 -0.051 0.000 0.893 210 L HN 0.615 nan 8.230 nan 0.000 0.432 211 T N -4.795 109.825 114.554 0.110 0.000 2.904 211 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 211 T C 1.632 176.400 174.700 0.114 0.000 1.059 211 T CA 1.138 63.315 62.100 0.129 0.000 1.137 211 T CB -0.590 68.391 68.868 0.190 0.000 0.879 211 T HN 0.273 nan 8.240 nan 0.000 0.467 212 D N 1.346 121.830 120.400 0.140 0.000 2.178 212 D HA 0.030 4.670 4.640 -0.000 0.000 0.202 212 D C 2.416 178.759 176.300 0.070 0.000 0.974 212 D CA 0.793 54.849 54.000 0.095 0.000 0.841 212 D CB -0.162 40.718 40.800 0.135 0.000 0.953 212 D HN 0.441 nan 8.370 nan 0.000 0.478 213 R N -0.289 120.253 120.500 0.070 0.000 2.200 213 R HA 0.151 4.491 4.340 -0.000 0.000 0.208 213 R C 1.106 177.435 176.300 0.047 0.000 1.033 213 R CA 0.669 56.799 56.100 0.051 0.000 1.000 213 R CB 0.237 30.557 30.300 0.033 0.000 0.906 213 R HN 0.147 nan 8.270 nan 0.000 0.462 214 N N -0.907 117.825 118.700 0.053 0.000 2.211 214 N HA 0.118 4.858 4.740 -0.000 0.000 0.216 214 N C 0.675 176.215 175.510 0.050 0.000 1.240 214 N CA 0.285 53.368 53.050 0.056 0.000 0.895 214 N CB 1.167 39.699 38.487 0.074 0.000 1.102 214 N HN 0.094 nan 8.380 nan 0.000 0.498 215 L N 0.704 121.955 121.223 0.047 0.000 3.069 215 L HA 0.290 4.630 4.340 -0.000 0.000 0.271 215 L C -0.207 176.669 176.870 0.010 0.000 1.201 215 L CA -0.044 54.817 54.840 0.035 0.000 1.015 215 L CB 0.079 42.167 42.059 0.048 0.000 1.371 215 L HN -0.070 nan 8.230 nan 0.000 0.574 216 N N 0.954 119.657 118.700 0.005 0.000 2.747 216 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 216 N C 0.523 175.996 175.510 -0.062 0.000 1.107 216 N CA 1.321 54.359 53.050 -0.019 0.000 0.707 216 N CB -1.304 37.173 38.487 -0.018 0.000 1.054 216 N HN 0.560 nan 8.380 nan 0.000 0.555 217 T N -2.726 111.782 114.554 -0.075 0.000 2.754 217 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 217 T C 1.175 175.745 174.700 -0.218 0.000 0.997 217 T CA 0.323 62.296 62.100 -0.212 0.000 0.982 217 T CB 1.554 70.270 68.868 -0.253 0.000 1.027 217 T HN 0.261 nan 8.240 nan 0.000 0.529 218 T N -1.921 112.404 114.554 -0.382 0.000 3.748 218 T HA 0.318 4.668 4.350 -0.000 0.000 0.281 218 T C 0.586 175.107 174.700 -0.299 0.000 0.977 218 T CA -0.652 61.306 62.100 -0.236 0.000 1.056 218 T CB -0.968 67.807 68.868 -0.155 0.000 1.138 218 T HN 0.457 nan 8.240 nan 0.000 0.498 219 F N 0.656 120.392 119.950 -0.357 0.000 2.161 219 F HA 0.104 4.631 4.527 -0.000 0.000 0.300 219 F C 1.295 176.843 175.800 -0.421 0.000 1.089 219 F CA 1.128 58.802 58.000 -0.543 0.000 1.282 219 F CB -0.317 38.010 39.000 -1.122 0.000 1.010 219 F HN 0.345 nan 8.300 nan 0.000 0.485 220 F N -1.352 118.731 119.950 0.222 0.000 2.661 220 F HA 0.217 4.744 4.527 -0.000 0.000 0.306 220 F C 0.163 176.007 175.800 0.072 0.000 1.094 220 F CA -0.884 57.199 58.000 0.138 0.000 1.254 220 F CB -0.277 38.793 39.000 0.118 0.000 1.040 220 F HN -0.252 nan 8.300 nan 0.000 0.562 221 D N 1.370 121.856 120.400 0.144 0.000 2.392 221 D HA 0.269 4.909 4.640 -0.000 0.000 0.228 221 D C -2.060 174.275 176.300 0.058 0.000 1.074 221 D CA -2.463 51.590 54.000 0.088 0.000 0.838 221 D CB 2.227 43.052 40.800 0.041 0.000 1.067 221 D HN -0.108 nan 8.370 nan 0.000 0.511 222 P HA -0.089 nan 4.420 nan 0.000 0.219 222 P C 1.052 178.368 177.300 0.027 0.000 1.146 222 P CA 0.998 64.127 63.100 0.050 0.000 0.808 222 P CB 0.224 31.956 31.700 0.052 0.000 0.779 223 A N -0.024 122.808 122.820 0.022 0.000 1.986 223 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 223 A C 2.278 179.858 177.584 -0.007 0.000 1.171 223 A CA 2.031 54.073 52.037 0.008 0.000 0.640 223 A CB -1.694 17.311 19.000 0.008 0.000 0.811 223 A HN 0.328 nan 8.150 nan 0.000 0.451 224 G N -2.602 106.186 108.800 -0.020 0.000 3.189 224 G HA2 0.401 4.361 3.960 -0.000 0.000 0.225 224 G HA3 0.401 4.361 3.960 -0.000 0.000 0.225 224 G C 1.017 175.890 174.900 -0.044 0.000 1.159 224 G CA 0.486 45.558 45.100 -0.046 0.000 0.763 224 G HN 1.645 nan 8.290 nan 0.000 0.549 225 G N -1.178 107.612 108.800 -0.016 0.000 2.131 225 G HA2 0.020 3.980 3.960 -0.000 0.000 0.223 225 G HA3 0.020 3.980 3.960 -0.000 0.000 0.223 225 G C 0.720 175.627 174.900 0.012 0.000 0.990 225 G CA 0.159 45.257 45.100 -0.002 0.000 0.671 225 G HN 0.942 nan 8.290 nan 0.000 0.521 226 G N -0.980 107.830 108.800 0.017 0.000 2.525 226 G HA2 0.556 4.516 3.960 -0.000 0.000 0.287 226 G HA3 0.556 4.516 3.960 -0.000 0.000 0.287 226 G C -0.792 174.184 174.900 0.126 0.000 1.350 226 G CA 0.482 45.619 45.100 0.061 0.000 1.039 226 G HN 0.552 nan 8.290 nan 0.000 0.513 227 D N -1.635 118.898 120.400 0.221 0.000 2.738 227 D HA 0.302 4.942 4.640 -0.000 0.000 0.218 227 D C -2.122 174.356 176.300 0.297 0.000 1.345 227 D CA -1.422 52.709 54.000 0.219 0.000 0.943 227 D CB 2.093 43.011 40.800 0.198 0.000 1.514 227 D HN -0.053 nan 8.370 nan 0.000 0.585 228 P HA -0.072 nan 4.420 nan 0.000 0.218 228 P C 1.607 178.900 177.300 -0.012 0.000 1.148 228 P CA 0.456 63.603 63.100 0.078 0.000 0.822 228 P CB 0.321 32.030 31.700 0.014 0.000 0.784 229 I N -1.291 119.299 120.570 0.033 0.000 2.614 229 I HA -0.138 4.032 4.170 -0.000 0.000 0.258 229 I C 2.102 178.258 176.117 0.065 0.000 1.189 229 I CA 0.897 62.184 61.300 -0.023 0.000 1.462 229 I CB -1.598 36.420 38.000 0.030 0.000 1.092 229 I HN -0.001 nan 8.210 nan 0.000 0.442 230 L N 0.280 121.634 121.223 0.217 0.000 2.083 230 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 230 L C 2.594 179.558 176.870 0.157 0.000 1.083 230 L CA 1.722 56.751 54.840 0.316 0.000 0.752 230 L CB -0.997 41.326 42.059 0.440 0.000 0.899 230 L HN 0.238 nan 8.230 nan 0.000 0.433 231 Y N 0.252 120.372 120.300 -0.300 0.000 2.181 231 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 231 Y C 2.522 178.236 175.900 -0.309 0.000 1.146 231 Y CA 2.182 59.872 58.100 -0.682 0.000 1.164 231 Y CB -0.315 37.258 38.460 -1.478 0.000 0.982 231 Y HN 0.373 nan 8.280 nan 0.000 0.515 232 Q N -1.021 118.633 119.800 -0.244 0.000 2.084 232 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 232 Q C 2.095 178.124 176.000 0.048 0.000 0.978 232 Q CA 1.567 57.264 55.803 -0.176 0.000 0.844 232 Q CB -0.387 28.179 28.738 -0.287 0.000 0.898 232 Q HN 0.635 nan 8.270 nan 0.000 0.426 233 H N 0.396 119.544 119.070 0.131 0.000 2.352 233 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 233 H C 2.144 177.445 175.328 -0.046 0.000 1.097 233 H CA 1.149 57.321 56.048 0.208 0.000 1.311 233 H CB -0.063 29.831 29.762 0.221 0.000 1.377 233 H HN 0.222 nan 8.280 nan 0.000 0.504 234 L N -0.759 120.437 121.223 -0.045 0.000 2.179 234 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 234 L C 2.454 179.192 176.870 -0.220 0.000 1.096 234 L CA 0.394 55.141 54.840 -0.154 0.000 0.779 234 L CB -0.397 41.543 42.059 -0.198 0.000 0.922 234 L HN 0.077 nan 8.230 nan 0.000 0.443 235 F N 0.121 119.738 119.950 -0.555 0.000 2.075 235 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 235 F C 1.992 177.533 175.800 -0.433 0.000 1.113 235 F CA 1.743 59.367 58.000 -0.627 0.000 1.218 235 F CB -0.346 38.088 39.000 -0.944 0.000 0.984 235 F HN -0.026 nan 8.300 nan 0.000 0.472 236 W N -1.200 120.159 121.300 0.100 0.000 2.467 236 W HA -0.094 4.566 4.660 -0.000 0.000 0.275 236 W C 2.284 178.758 176.519 -0.074 0.000 1.239 236 W CA 0.610 57.980 57.345 0.042 0.000 1.266 236 W CB -0.702 28.924 29.460 0.277 0.000 1.112 236 W HN 0.083 nan 8.180 nan 0.000 0.576 237 F N 0.045 119.867 119.950 -0.213 0.000 2.161 237 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 237 F C 2.270 177.975 175.800 -0.159 0.000 1.089 237 F CA 1.783 59.521 58.000 -0.438 0.000 1.282 237 F CB -0.625 37.998 39.000 -0.629 0.000 1.010 237 F HN -0.039 nan 8.300 nan 0.000 0.485 238 F N 0.466 120.289 119.950 -0.212 0.000 2.206 238 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 238 F C 2.196 177.779 175.800 -0.361 0.000 1.090 238 F CA 1.535 59.357 58.000 -0.296 0.000 1.323 238 F CB -1.117 37.655 39.000 -0.380 0.000 1.028 238 F HN -0.088 nan 8.300 nan 0.000 0.492 239 G N -1.211 107.129 108.800 -0.766 0.000 2.421 239 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 239 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 239 G C 1.411 176.114 174.900 -0.329 0.000 1.143 239 G CA 1.007 45.594 45.100 -0.855 0.000 0.784 239 G HN 0.546 nan 8.290 nan 0.000 0.541 240 H N 1.444 120.477 119.070 -0.062 0.000 2.333 240 H HA 0.046 4.602 4.556 -0.000 0.000 0.302 240 H C 0.131 175.411 175.328 -0.080 0.000 1.075 240 H CA 1.223 57.318 56.048 0.078 0.000 1.348 240 H CB -0.447 29.446 29.762 0.219 0.000 1.393 240 H HN 0.237 nan 8.280 nan 0.000 0.509 241 P HA -0.189 nan 4.420 nan 0.000 0.216 241 P C 1.263 178.317 177.300 -0.411 0.000 1.154 241 P CA 2.031 64.864 63.100 -0.444 0.000 0.865 241 P CB 0.024 31.269 31.700 -0.758 0.000 0.789 242 E N -0.096 119.698 120.200 -0.675 0.000 2.130 242 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 242 E C 1.699 178.000 176.600 -0.498 0.000 0.998 242 E CA 1.615 57.611 56.400 -0.675 0.000 0.806 242 E CB -1.183 27.848 29.700 -1.116 0.000 0.738 242 E HN 0.151 nan 8.360 nan 0.000 0.459 243 V N -1.431 118.141 119.914 -0.570 0.000 2.548 243 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 243 V C 1.892 177.578 176.094 -0.681 0.000 1.055 243 V CA 1.525 63.455 62.300 -0.617 0.000 1.065 243 V CB -1.004 30.417 31.823 -0.671 0.000 0.681 243 V HN 0.201 nan 8.190 nan 0.000 0.462 244 Y N 0.509 120.613 120.300 -0.327 0.000 2.263 244 Y HA 0.170 4.720 4.550 -0.000 0.000 0.292 244 Y C 2.380 178.153 175.900 -0.213 0.000 1.130 244 Y CA 1.529 59.510 58.100 -0.198 0.000 1.179 244 Y CB -0.433 37.962 38.460 -0.108 0.000 0.998 244 Y HN 0.164 nan 8.280 nan 0.000 0.532 245 I N -0.385 120.116 120.570 -0.116 0.000 2.264 245 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 245 I C 1.943 177.960 176.117 -0.168 0.000 1.111 245 I CA 1.350 62.577 61.300 -0.121 0.000 1.382 245 I CB -0.365 37.555 38.000 -0.132 0.000 1.060 245 I HN 0.226 nan 8.210 nan 0.000 0.418 246 L N -0.514 120.564 121.223 -0.242 0.000 2.201 246 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 246 L C 2.302 179.052 176.870 -0.200 0.000 1.105 246 L CA 0.922 55.624 54.840 -0.230 0.000 0.775 246 L CB -0.167 41.713 42.059 -0.299 0.000 0.913 246 L HN 0.258 nan 8.230 nan 0.000 0.440 247 I N -1.164 119.246 120.570 -0.267 0.000 3.526 247 I HA -0.053 4.117 4.170 -0.000 0.000 0.294 247 I C 2.013 177.830 176.117 -0.501 0.000 1.229 247 I CA 0.812 61.899 61.300 -0.355 0.000 1.408 247 I CB 0.184 37.895 38.000 -0.482 0.000 1.127 247 I HN 0.004 nan 8.210 nan 0.000 0.439 248 L N 1.317 122.325 121.223 -0.360 0.000 2.013 248 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 248 L C -0.499 176.359 176.870 -0.020 0.000 1.073 248 L CA 1.732 56.451 54.840 -0.202 0.000 0.753 248 L CB -1.775 40.272 42.059 -0.021 0.000 0.890 248 L HN 0.201 nan 8.230 nan 0.000 0.432 249 P HA -0.081 nan 4.420 nan 0.000 0.226 249 P C 1.439 178.855 177.300 0.194 0.000 1.153 249 P CA 1.360 64.511 63.100 0.084 0.000 0.777 249 P CB -0.101 31.637 31.700 0.064 0.000 0.794 250 G N -1.350 107.478 108.800 0.047 0.000 2.394 250 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 250 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 250 G C 1.427 176.320 174.900 -0.012 0.000 1.165 250 G CA 0.133 45.221 45.100 -0.021 0.000 0.784 250 G HN 0.227 nan 8.290 nan 0.000 0.535 251 F N 1.319 121.274 119.950 0.009 0.000 2.134 251 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 251 F C 3.015 178.962 175.800 0.244 0.000 1.097 251 F CA 0.282 58.368 58.000 0.144 0.000 1.264 251 F CB -0.130 39.049 39.000 0.299 0.000 1.001 251 F HN 0.265 nan 8.300 nan 0.000 0.479 252 G N 0.515 109.607 108.800 0.487 0.000 2.459 252 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 252 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 252 G C 1.590 176.792 174.900 0.503 0.000 1.183 252 G CA 0.876 46.299 45.100 0.538 0.000 0.776 252 G HN 0.200 nan 8.290 nan 0.000 0.552 253 M N 0.083 119.872 119.600 0.314 0.000 2.117 253 M HA -0.017 4.462 4.480 -0.000 0.000 0.262 253 M C 2.547 178.874 176.300 0.045 0.000 1.065 253 M CA 1.033 56.398 55.300 0.108 0.000 1.114 253 M CB -0.392 32.158 32.600 -0.083 0.000 1.361 253 M HN 0.121 nan 8.290 nan 0.000 0.408 254 I N -0.046 120.434 120.570 -0.149 0.000 2.208 254 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 254 I C 2.454 178.447 176.117 -0.205 0.000 1.097 254 I CA 1.486 62.532 61.300 -0.424 0.000 1.363 254 I CB -1.298 36.051 38.000 -1.085 0.000 1.051 254 I HN 0.254 nan 8.210 nan 0.000 0.413 255 S N -0.481 115.336 115.700 0.196 0.000 2.370 255 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 255 S C 1.879 176.662 174.600 0.304 0.000 1.033 255 S CA 1.100 59.566 58.200 0.443 0.000 1.011 255 S CB -0.460 63.088 63.200 0.580 0.000 0.852 255 S HN 0.511 nan 8.310 nan 0.000 0.457 256 H N 0.021 119.214 119.070 0.205 0.000 2.395 256 H HA 0.098 4.654 4.556 -0.000 0.000 0.299 256 H C 2.050 177.372 175.328 -0.009 0.000 1.070 256 H CA 1.212 57.372 56.048 0.187 0.000 1.356 256 H CB -0.053 29.906 29.762 0.329 0.000 1.401 256 H HN 0.351 nan 8.280 nan 0.000 0.524 257 I N 0.114 120.675 120.570 -0.015 0.000 2.333 257 I HA -0.185 3.985 4.170 -0.000 0.000 0.246 257 I C 2.405 178.524 176.117 0.004 0.000 1.106 257 I CA 0.444 61.633 61.300 -0.186 0.000 1.411 257 I CB 0.032 37.897 38.000 -0.226 0.000 1.082 257 I HN -0.004 nan 8.210 nan 0.000 0.420 258 V N 0.503 120.401 119.914 -0.026 0.000 2.427 258 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 258 V C 2.481 178.604 176.094 0.049 0.000 1.051 258 V CA 2.267 64.570 62.300 0.005 0.000 1.048 258 V CB -0.794 31.012 31.823 -0.027 0.000 0.666 258 V HN 0.458 nan 8.190 nan 0.000 0.456 259 T N -0.972 113.626 114.554 0.074 0.000 2.708 259 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 259 T C 1.739 176.421 174.700 -0.030 0.000 1.037 259 T CA 2.146 64.278 62.100 0.053 0.000 1.146 259 T CB -0.364 68.548 68.868 0.073 0.000 0.865 259 T HN 0.558 nan 8.240 nan 0.000 0.435 260 Y N 0.570 120.755 120.300 -0.192 0.000 2.114 260 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 260 Y C 1.792 177.408 175.900 -0.474 0.000 1.143 260 Y CA 1.324 59.195 58.100 -0.381 0.000 1.135 260 Y CB -0.282 37.800 38.460 -0.630 0.000 0.980 260 Y HN 0.232 nan 8.280 nan 0.000 0.499 261 Y N -1.100 119.199 120.300 -0.001 0.000 2.529 261 Y HA 0.057 4.607 4.550 -0.000 0.000 0.290 261 Y C 2.136 177.934 175.900 -0.171 0.000 1.177 261 Y CA 0.735 58.784 58.100 -0.085 0.000 1.305 261 Y CB -0.093 38.306 38.460 -0.103 0.000 1.047 261 Y HN 0.014 nan 8.280 nan 0.000 0.522 262 S N -0.888 114.775 115.700 -0.062 0.000 2.575 262 S HA 0.197 4.667 4.470 -0.000 0.000 0.215 262 S C 1.674 176.206 174.600 -0.114 0.000 0.966 262 S CA 0.567 58.717 58.200 -0.083 0.000 0.911 262 S CB -0.216 62.961 63.200 -0.040 0.000 0.780 262 S HN 0.639 nan 8.310 nan 0.000 0.514 263 G N 2.234 110.921 108.800 -0.189 0.000 2.221 263 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 263 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 263 G C -0.196 174.606 174.900 -0.163 0.000 1.041 263 G CA 0.021 44.986 45.100 -0.225 0.000 0.807 263 G HN 0.267 nan 8.290 nan 0.000 0.502 264 K N -0.044 120.278 120.400 -0.130 0.000 2.110 264 K HA 0.377 4.697 4.320 -0.000 0.000 0.263 264 K C 1.487 178.049 176.600 -0.064 0.000 0.975 264 K CA -0.419 55.831 56.287 -0.062 0.000 0.895 264 K CB 1.361 33.863 32.500 0.003 0.000 1.060 264 K HN 0.468 nan 8.250 nan 0.000 0.448 265 K N 0.408 120.789 120.400 -0.032 0.000 2.432 265 K HA -0.035 4.285 4.320 -0.000 0.000 0.196 265 K C -0.007 176.603 176.600 0.016 0.000 1.038 265 K CA 0.792 57.071 56.287 -0.014 0.000 0.986 265 K CB 0.254 32.749 32.500 -0.008 0.000 0.782 265 K HN 0.671 nan 8.250 nan 0.000 0.485 266 E N 0.545 120.766 120.200 0.035 0.000 2.388 266 E HA 0.317 4.667 4.350 -0.000 0.000 0.280 266 E C -3.101 173.566 176.600 0.112 0.000 1.019 266 E CA -2.393 54.046 56.400 0.065 0.000 0.806 266 E CB 1.529 31.255 29.700 0.045 0.000 1.246 266 E HN -0.179 nan 8.360 nan 0.000 0.443 267 P HA 0.089 nan 4.420 nan 0.000 0.272 267 P C -0.580 176.866 177.300 0.244 0.000 1.223 267 P CA -0.330 62.905 63.100 0.224 0.000 0.784 267 P CB 0.393 32.240 31.700 0.245 0.000 0.923 268 F N 1.622 121.641 119.950 0.116 0.000 2.529 268 F HA 0.360 4.887 4.527 -0.000 0.000 0.365 268 F C 1.343 177.189 175.800 0.076 0.000 1.102 268 F CA 1.354 59.408 58.000 0.091 0.000 1.271 268 F CB -0.125 38.929 39.000 0.091 0.000 1.120 268 F HN 0.705 nan 8.300 nan 0.000 0.579 269 G N 5.704 114.170 108.800 -0.558 0.000 2.351 269 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.297 269 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.297 269 G C 0.312 175.181 174.900 -0.051 0.000 1.054 269 G CA 0.502 45.377 45.100 -0.375 0.000 1.123 269 G HN 1.051 nan 8.290 nan 0.000 0.512 270 Y N 0.239 120.470 120.300 -0.115 0.000 2.151 270 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 270 Y C 2.609 178.466 175.900 -0.071 0.000 1.166 270 Y CA 2.571 60.645 58.100 -0.043 0.000 1.163 270 Y CB -0.014 38.443 38.460 -0.006 0.000 0.974 270 Y HN 0.414 nan 8.280 nan 0.000 0.511 271 M N -0.472 119.167 119.600 0.065 0.000 2.349 271 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 271 M C 2.398 178.632 176.300 -0.109 0.000 1.076 271 M CA 1.186 56.439 55.300 -0.077 0.000 1.126 271 M CB -1.651 30.927 32.600 -0.037 0.000 1.392 271 M HN 0.469 nan 8.290 nan 0.000 0.440 272 G N 0.278 109.037 108.800 -0.069 0.000 2.422 272 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 272 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 272 G C 1.534 176.469 174.900 0.059 0.000 1.146 272 G CA 0.548 45.660 45.100 0.020 0.000 0.769 272 G HN 0.260 nan 8.290 nan 0.000 0.547 273 M N 0.311 119.851 119.600 -0.099 0.000 2.156 273 M HA 0.046 4.526 4.480 -0.000 0.000 0.264 273 M C 2.774 178.920 176.300 -0.256 0.000 1.067 273 M CA 0.608 55.805 55.300 -0.172 0.000 1.131 273 M CB -0.988 31.500 32.600 -0.186 0.000 1.368 273 M HN 0.107 nan 8.290 nan 0.000 0.416 274 V N -0.698 118.946 119.914 -0.449 0.000 2.255 274 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 274 V C 2.107 177.995 176.094 -0.342 0.000 1.051 274 V CA 2.115 64.017 62.300 -0.665 0.000 1.018 274 V CB -0.893 30.286 31.823 -1.073 0.000 0.641 274 V HN 0.642 nan 8.190 nan 0.000 0.445 275 W N 1.055 122.156 121.300 -0.331 0.000 2.335 275 W HA -0.250 4.410 4.660 -0.000 0.000 0.311 275 W C 2.419 178.857 176.519 -0.135 0.000 1.213 275 W CA 2.384 59.609 57.345 -0.200 0.000 1.274 275 W CB -0.458 28.904 29.460 -0.163 0.000 1.148 275 W HN 0.201 nan 8.180 nan 0.000 0.498 276 A N 0.315 123.013 122.820 -0.204 0.000 1.877 276 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 276 A C 2.066 179.451 177.584 -0.331 0.000 1.186 276 A CA 2.138 53.911 52.037 -0.439 0.000 0.620 276 A CB -0.929 17.981 19.000 -0.151 0.000 0.822 276 A HN 0.414 nan 8.150 nan 0.000 0.443 277 M N -1.383 118.112 119.600 -0.175 0.000 2.159 277 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 277 M C 2.424 178.691 176.300 -0.055 0.000 1.063 277 M CA 1.586 56.868 55.300 -0.031 0.000 1.110 277 M CB -0.414 32.219 32.600 0.055 0.000 1.374 277 M HN 0.436 nan 8.290 nan 0.000 0.411 278 M N -0.718 118.799 119.600 -0.138 0.000 2.132 278 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 278 M C 2.292 178.516 176.300 -0.127 0.000 1.065 278 M CA 1.436 56.694 55.300 -0.070 0.000 1.122 278 M CB -0.257 32.300 32.600 -0.072 0.000 1.365 278 M HN 0.192 nan 8.290 nan 0.000 0.411 279 S N 0.844 116.305 115.700 -0.398 0.000 2.370 279 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 279 S C 1.758 176.264 174.600 -0.157 0.000 1.033 279 S CA 1.215 59.180 58.200 -0.391 0.000 1.011 279 S CB -0.396 62.246 63.200 -0.929 0.000 0.852 279 S HN 0.387 nan 8.310 nan 0.000 0.457 280 I N 1.159 121.624 120.570 -0.176 0.000 2.353 280 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 280 I C 2.581 178.602 176.117 -0.160 0.000 1.119 280 I CA 1.023 62.228 61.300 -0.157 0.000 1.417 280 I CB -0.580 37.410 38.000 -0.016 0.000 1.078 280 I HN 0.364 nan 8.210 nan 0.000 0.421 281 G N 0.290 109.080 108.800 -0.016 0.000 2.421 281 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 281 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 281 G C 1.566 176.575 174.900 0.181 0.000 1.143 281 G CA 0.206 45.344 45.100 0.062 0.000 0.784 281 G HN 0.325 nan 8.290 nan 0.000 0.541 282 F N 1.152 121.137 119.950 0.059 0.000 2.113 282 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 282 F C 2.333 178.202 175.800 0.116 0.000 1.103 282 F CA 1.065 59.141 58.000 0.126 0.000 1.248 282 F CB -0.124 38.895 39.000 0.033 0.000 0.999 282 F HN 0.011 nan 8.300 nan 0.000 0.475 283 L N -0.028 121.253 121.223 0.096 0.000 2.275 283 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 283 L C 2.556 179.315 176.870 -0.185 0.000 1.119 283 L CA 0.919 55.730 54.840 -0.048 0.000 0.790 283 L CB -1.290 40.758 42.059 -0.018 0.000 0.919 283 L HN 0.347 nan 8.230 nan 0.000 0.443 284 G N -0.943 107.697 108.800 -0.266 0.000 2.625 284 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 284 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 284 G C 1.138 175.857 174.900 -0.302 0.000 1.132 284 G CA 0.138 45.048 45.100 -0.316 0.000 0.782 284 G HN 0.285 nan 8.290 nan 0.000 0.538 285 F N 0.006 119.850 119.950 -0.177 0.000 2.749 285 F HA 0.308 4.835 4.527 -0.000 0.000 0.300 285 F C 1.820 177.635 175.800 0.023 0.000 1.103 285 F CA -0.140 57.727 58.000 -0.221 0.000 1.342 285 F CB 0.458 39.294 39.000 -0.275 0.000 1.098 285 F HN 0.215 nan 8.300 nan 0.000 0.586 286 I N -1.978 118.703 120.570 0.184 0.000 3.833 286 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 286 I C 0.370 176.638 176.117 0.251 0.000 1.554 286 I CA -0.010 61.488 61.300 0.330 0.000 1.116 286 I CB 0.182 38.268 38.000 0.144 0.000 1.182 286 I HN -0.098 nan 8.210 nan 0.000 0.459 287 V N -3.380 116.658 119.914 0.206 0.000 3.398 287 V HA 0.224 4.344 4.120 -0.000 0.000 0.298 287 V C 1.625 177.558 176.094 -0.269 0.000 1.496 287 V CA -0.119 62.199 62.300 0.029 0.000 1.044 287 V CB -0.861 30.815 31.823 -0.245 0.000 0.880 287 V HN 0.686 nan 8.190 nan 0.000 0.443 288 W N 1.820 123.054 121.300 -0.111 0.000 2.421 288 W HA 0.283 4.943 4.660 -0.000 0.000 0.270 288 W C 1.688 177.948 176.519 -0.431 0.000 1.233 288 W CA 1.142 58.359 57.345 -0.213 0.000 1.226 288 W CB -0.606 28.917 29.460 0.105 0.000 1.121 288 W HN 0.225 nan 8.180 nan 0.000 0.579 289 A N 1.771 123.581 122.820 -1.684 0.000 2.259 289 A HA -0.066 4.254 4.320 -0.000 0.000 0.208 289 A C 1.745 178.492 177.584 -1.394 0.000 1.201 289 A CA 0.835 51.952 52.037 -1.533 0.000 0.824 289 A CB -1.785 15.849 19.000 -2.276 0.000 0.838 289 A HN 0.776 nan 8.150 nan 0.000 0.485 290 H N -2.546 115.767 119.070 -1.263 0.000 2.561 290 H HA -0.044 4.512 4.556 -0.000 0.000 0.278 290 H C 0.804 175.296 175.328 -1.393 0.000 1.014 290 H CA 0.952 55.948 56.048 -1.753 0.000 1.211 290 H CB -0.367 28.834 29.762 -0.934 0.000 1.365 290 H HN 0.670 nan 8.280 nan 0.000 0.594 291 H N 0.485 119.142 119.070 -0.689 0.000 2.547 291 H HA 0.159 4.715 4.556 -0.000 0.000 0.266 291 H C 0.581 175.549 175.328 -0.600 0.000 0.988 291 H CA 0.495 56.087 56.048 -0.759 0.000 1.147 291 H CB 0.396 29.124 29.762 -1.724 0.000 1.365 291 H HN 0.502 nan 8.280 nan 0.000 0.589 292 M N -0.509 118.758 119.600 -0.555 0.000 2.848 292 M HA 0.101 4.581 4.480 -0.000 0.000 0.420 292 M C 0.110 176.243 176.300 -0.277 0.000 1.304 292 M CA -0.202 54.878 55.300 -0.366 0.000 0.844 292 M CB 0.599 33.024 32.600 -0.292 0.000 1.451 292 M HN -0.096 nan 8.290 nan 0.000 0.511 293 F N 0.968 120.730 119.950 -0.313 0.000 2.451 293 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 293 F C 2.431 178.114 175.800 -0.194 0.000 1.101 293 F CA 1.296 59.163 58.000 -0.222 0.000 1.436 293 F CB -0.577 38.306 39.000 -0.194 0.000 1.074 293 F HN 0.254 nan 8.300 nan 0.000 0.553 294 T N -3.377 111.114 114.554 -0.106 0.000 3.186 294 T HA 0.177 4.527 4.350 -0.000 0.000 0.257 294 T C 1.383 176.066 174.700 -0.028 0.000 1.029 294 T CA 0.621 62.685 62.100 -0.061 0.000 0.916 294 T CB -0.702 68.129 68.868 -0.060 0.000 1.041 294 T HN 0.077 nan 8.240 nan 0.000 0.562 295 V N -2.179 117.714 119.914 -0.035 0.000 3.623 295 V HA 0.615 4.735 4.120 -0.000 0.000 0.271 295 V C 1.259 177.365 176.094 0.021 0.000 1.248 295 V CA 0.156 62.451 62.300 -0.009 0.000 1.156 295 V CB -1.091 30.709 31.823 -0.038 0.000 0.870 295 V HN 0.788 nan 8.190 nan 0.000 0.453 296 G N 0.431 109.249 108.800 0.029 0.000 2.953 296 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.203 296 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.203 296 G C -0.603 174.330 174.900 0.056 0.000 1.094 296 G CA 0.023 45.148 45.100 0.042 0.000 1.016 296 G HN 0.416 nan 8.290 nan 0.000 0.535 297 M N 0.881 120.519 119.600 0.062 0.000 2.404 297 M HA 0.353 4.833 4.480 -0.000 0.000 0.338 297 M C -0.139 176.211 176.300 0.083 0.000 1.150 297 M CA -0.864 54.489 55.300 0.090 0.000 1.016 297 M CB 0.920 33.593 32.600 0.122 0.000 1.672 297 M HN 0.234 nan 8.290 nan 0.000 0.448 298 D N 1.649 122.105 120.400 0.093 0.000 2.449 298 D HA -0.057 4.582 4.640 -0.000 0.000 0.236 298 D C 0.914 177.259 176.300 0.076 0.000 1.149 298 D CA 0.077 54.123 54.000 0.077 0.000 0.878 298 D CB 1.116 41.964 40.800 0.080 0.000 1.198 298 D HN 0.373 nan 8.370 nan 0.000 0.446 299 V N 2.053 121.996 119.914 0.049 0.000 2.407 299 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 299 V C 1.244 177.369 176.094 0.051 0.000 1.055 299 V CA 1.856 64.174 62.300 0.031 0.000 1.049 299 V CB -0.065 31.765 31.823 0.012 0.000 0.662 299 V HN 0.405 nan 8.190 nan 0.000 0.455 300 D N -0.623 119.815 120.400 0.064 0.000 2.183 300 D HA -0.096 4.544 4.640 -0.000 0.000 0.203 300 D C 2.242 178.623 176.300 0.134 0.000 0.969 300 D CA 1.702 55.747 54.000 0.075 0.000 0.842 300 D CB -0.349 40.486 40.800 0.058 0.000 0.957 300 D HN 0.446 nan 8.370 nan 0.000 0.484 301 T N 0.795 115.449 114.554 0.168 0.000 2.746 301 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 301 T C 1.978 176.928 174.700 0.416 0.000 1.039 301 T CA 0.812 63.092 62.100 0.299 0.000 1.142 301 T CB 0.019 69.061 68.868 0.289 0.000 0.866 301 T HN 0.140 nan 8.240 nan 0.000 0.444 302 R N 0.841 121.501 120.500 0.267 0.000 2.091 302 R HA -0.051 4.289 4.340 -0.000 0.000 0.238 302 R C 2.784 179.141 176.300 0.095 0.000 1.136 302 R CA 1.357 57.568 56.100 0.185 0.000 0.959 302 R CB -0.475 29.793 30.300 -0.052 0.000 0.856 302 R HN 0.376 nan 8.270 nan 0.000 0.437 303 A N 0.457 123.317 122.820 0.067 0.000 1.902 303 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 303 A C 1.991 179.586 177.584 0.017 0.000 1.181 303 A CA 1.333 53.381 52.037 0.020 0.000 0.623 303 A CB -0.718 18.298 19.000 0.027 0.000 0.818 303 A HN 0.493 nan 8.150 nan 0.000 0.443 304 Y N -0.607 119.688 120.300 -0.008 0.000 2.133 304 Y HA -0.181 4.369 4.550 -0.000 0.000 0.287 304 Y C 1.923 177.738 175.900 -0.142 0.000 1.134 304 Y CA 1.835 59.861 58.100 -0.123 0.000 1.133 304 Y CB -0.687 37.634 38.460 -0.232 0.000 0.987 304 Y HN 0.228 nan 8.280 nan 0.000 0.502 305 F N 0.398 120.198 119.950 -0.251 0.000 2.171 305 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 305 F C 2.515 178.261 175.800 -0.090 0.000 1.090 305 F CA 1.982 59.817 58.000 -0.275 0.000 1.293 305 F CB -1.045 37.945 39.000 -0.017 0.000 1.013 305 F HN 0.024 nan 8.300 nan 0.000 0.486 306 T N -0.966 113.702 114.554 0.191 0.000 2.684 306 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 306 T C 2.261 176.932 174.700 -0.048 0.000 1.036 306 T CA 1.884 64.032 62.100 0.081 0.000 1.148 306 T CB -0.406 68.425 68.868 -0.062 0.000 0.863 306 T HN 0.187 nan 8.240 nan 0.000 0.436 307 S N 1.176 116.791 115.700 -0.143 0.000 2.371 307 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 307 S C 2.572 177.059 174.600 -0.189 0.000 1.029 307 S CA 0.842 58.958 58.200 -0.140 0.000 0.978 307 S CB -0.506 62.615 63.200 -0.132 0.000 0.833 307 S HN 0.564 nan 8.310 nan 0.000 0.466 308 A N 1.500 124.075 122.820 -0.408 0.000 1.902 308 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 308 A C 2.304 179.794 177.584 -0.157 0.000 1.181 308 A CA 1.989 53.821 52.037 -0.341 0.000 0.623 308 A CB -1.352 17.251 19.000 -0.661 0.000 0.818 308 A HN 0.463 nan 8.150 nan 0.000 0.443 309 T N 0.117 114.610 114.554 -0.101 0.000 2.684 309 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 309 T C 1.935 176.640 174.700 0.009 0.000 1.036 309 T CA 1.816 63.928 62.100 0.020 0.000 1.148 309 T CB -0.317 68.641 68.868 0.151 0.000 0.863 309 T HN 0.439 nan 8.240 nan 0.000 0.436 310 M N 0.201 119.795 119.600 -0.010 0.000 2.159 310 M HA 0.009 4.489 4.480 -0.000 0.000 0.263 310 M C 2.208 178.518 176.300 0.018 0.000 1.063 310 M CA 1.348 56.649 55.300 0.002 0.000 1.110 310 M CB -0.598 31.996 32.600 -0.010 0.000 1.374 310 M HN 0.221 nan 8.290 nan 0.000 0.411 311 I N 0.593 121.167 120.570 0.008 0.000 2.236 311 I HA -0.354 3.816 4.170 -0.000 0.000 0.249 311 I C 2.132 178.273 176.117 0.040 0.000 1.102 311 I CA 1.458 62.775 61.300 0.029 0.000 1.365 311 I CB -0.451 37.564 38.000 0.025 0.000 1.051 311 I HN 0.297 nan 8.210 nan 0.000 0.420 312 I N 0.749 121.337 120.570 0.030 0.000 2.399 312 I HA -0.318 3.852 4.170 -0.000 0.000 0.254 312 I C 2.685 178.852 176.117 0.083 0.000 1.146 312 I CA 1.113 62.438 61.300 0.041 0.000 1.412 312 I CB -0.523 37.514 38.000 0.061 0.000 1.076 312 I HN 0.232 nan 8.210 nan 0.000 0.432 313 A N 0.975 123.846 122.820 0.085 0.000 2.024 313 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 313 A C 2.244 179.885 177.584 0.095 0.000 1.164 313 A CA 1.360 53.452 52.037 0.092 0.000 0.643 313 A CB -0.603 18.439 19.000 0.071 0.000 0.806 313 A HN 0.405 nan 8.150 nan 0.000 0.451 314 I N 0.357 120.989 120.570 0.103 0.000 2.110 314 I HA -0.133 4.037 4.170 -0.000 0.000 0.236 314 I C -0.253 175.967 176.117 0.171 0.000 1.068 314 I CA 1.419 62.811 61.300 0.153 0.000 1.333 314 I CB -1.097 37.011 38.000 0.180 0.000 1.054 314 I HN 0.225 nan 8.210 nan 0.000 0.402 315 P HA -0.121 nan 4.420 nan 0.000 0.220 315 P C 1.469 178.753 177.300 -0.027 0.000 1.148 315 P CA 1.589 64.680 63.100 -0.015 0.000 0.803 315 P CB -0.223 31.219 31.700 -0.430 0.000 0.782 316 T N -0.523 114.039 114.554 0.013 0.000 2.857 316 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 316 T C 2.129 176.767 174.700 -0.104 0.000 1.048 316 T CA 1.581 63.683 62.100 0.003 0.000 1.139 316 T CB -0.950 68.050 68.868 0.220 0.000 0.874 316 T HN 0.184 nan 8.240 nan 0.000 0.455 317 G N 1.228 109.993 108.800 -0.060 0.000 2.418 317 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 317 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 317 G C 1.689 176.444 174.900 -0.241 0.000 1.158 317 G CA 0.727 45.690 45.100 -0.228 0.000 0.771 317 G HN 0.411 nan 8.290 nan 0.000 0.545 318 V N 0.925 120.854 119.914 0.025 0.000 2.324 318 V HA -0.249 3.870 4.120 -0.000 0.000 0.250 318 V C 2.819 178.817 176.094 -0.161 0.000 1.060 318 V CA 2.372 64.720 62.300 0.081 0.000 1.042 318 V CB -0.400 31.555 31.823 0.221 0.000 0.650 318 V HN 0.396 nan 8.190 nan 0.000 0.450 319 K N -0.590 119.565 120.400 -0.408 0.000 2.103 319 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 319 K C 2.079 178.016 176.600 -1.104 0.000 1.052 319 K CA 1.156 56.911 56.287 -0.886 0.000 0.945 319 K CB -0.325 31.405 32.500 -1.282 0.000 0.722 319 K HN 0.350 nan 8.250 nan 0.000 0.443 320 V N 1.182 120.686 119.914 -0.684 0.000 2.295 320 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 320 V C 2.009 178.007 176.094 -0.161 0.000 1.049 320 V CA 1.778 63.911 62.300 -0.278 0.000 1.024 320 V CB -0.572 31.085 31.823 -0.276 0.000 0.648 320 V HN 0.202 nan 8.190 nan 0.000 0.447 321 F N 0.434 120.369 119.950 -0.026 0.000 2.126 321 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 321 F C 2.701 178.447 175.800 -0.089 0.000 1.096 321 F CA 1.446 59.426 58.000 -0.034 0.000 1.255 321 F CB -0.529 38.446 39.000 -0.042 0.000 0.997 321 F HN 0.067 nan 8.300 nan 0.000 0.479 322 S N -0.893 114.820 115.700 0.021 0.000 2.399 322 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 322 S C 1.678 176.331 174.600 0.088 0.000 1.022 322 S CA 0.857 59.084 58.200 0.046 0.000 0.983 322 S CB -0.364 62.870 63.200 0.058 0.000 0.803 322 S HN 0.389 nan 8.310 nan 0.000 0.480 323 W N 1.794 123.141 121.300 0.078 0.000 2.381 323 W HA 0.120 4.780 4.660 -0.000 0.000 0.301 323 W C 1.920 178.475 176.519 0.059 0.000 1.205 323 W CA 0.206 57.595 57.345 0.073 0.000 1.285 323 W CB -1.181 28.322 29.460 0.072 0.000 1.133 323 W HN 0.310 nan 8.180 nan 0.000 0.521 324 L N 0.165 121.565 121.223 0.294 0.000 2.046 324 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 324 L C 2.576 179.485 176.870 0.065 0.000 1.077 324 L CA 1.539 56.487 54.840 0.181 0.000 0.747 324 L CB -1.351 40.822 42.059 0.190 0.000 0.896 324 L HN -0.152 nan 8.230 nan 0.000 0.432 325 A N -0.741 122.027 122.820 -0.086 0.000 2.067 325 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 325 A C 2.300 179.841 177.584 -0.072 0.000 1.158 325 A CA 1.845 53.682 52.037 -0.333 0.000 0.661 325 A CB -0.631 17.630 19.000 -1.232 0.000 0.801 325 A HN 0.380 nan 8.150 nan 0.000 0.452 326 T N 0.210 114.825 114.554 0.101 0.000 2.896 326 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 326 T C 1.745 176.521 174.700 0.127 0.000 1.050 326 T CA 1.077 63.293 62.100 0.194 0.000 1.140 326 T CB -0.264 68.761 68.868 0.261 0.000 0.877 326 T HN 0.384 nan 8.240 nan 0.000 0.457 327 L N 0.249 121.538 121.223 0.110 0.000 2.093 327 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 327 L C 1.322 178.232 176.870 0.066 0.000 1.085 327 L CA 0.537 55.409 54.840 0.053 0.000 0.755 327 L CB -0.677 41.412 42.059 0.050 0.000 0.904 327 L HN 0.333 nan 8.230 nan 0.000 0.435 328 H N 0.695 119.760 119.070 -0.008 0.000 3.187 328 H HA 0.164 4.720 4.556 -0.000 0.000 0.286 328 H C 1.113 176.440 175.328 -0.001 0.000 0.944 328 H CA 0.377 56.415 56.048 -0.017 0.000 1.429 328 H CB 0.187 29.916 29.762 -0.054 0.000 1.483 328 H HN 0.312 nan 8.280 nan 0.000 0.555 329 G N 2.969 111.534 108.800 -0.393 0.000 2.162 329 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 329 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 329 G C 0.672 175.492 174.900 -0.133 0.000 0.976 329 G CA 0.312 45.227 45.100 -0.308 0.000 0.655 329 G HN 1.033 nan 8.290 nan 0.000 0.533 330 G N -0.462 108.287 108.800 -0.085 0.000 2.507 330 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 330 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 330 G C 0.044 174.906 174.900 -0.064 0.000 1.189 330 G CA 0.104 45.164 45.100 -0.067 0.000 0.859 330 G HN 0.500 nan 8.290 nan 0.000 0.542 331 N N 1.235 119.897 118.700 -0.064 0.000 2.508 331 N HA 0.040 4.780 4.740 -0.000 0.000 0.253 331 N C 0.215 175.687 175.510 -0.064 0.000 1.145 331 N CA -0.567 52.454 53.050 -0.049 0.000 0.973 331 N CB -0.024 38.434 38.487 -0.049 0.000 1.305 331 N HN 0.116 nan 8.380 nan 0.000 0.506 332 I N 1.973 122.498 120.570 -0.075 0.000 2.517 332 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 332 I C 0.783 176.802 176.117 -0.163 0.000 1.106 332 I CA -0.249 60.930 61.300 -0.202 0.000 1.402 332 I CB -0.003 37.774 38.000 -0.372 0.000 1.399 332 I HN 0.412 nan 8.210 nan 0.000 0.535 333 K N 6.801 127.129 120.400 -0.119 0.000 2.253 333 K HA 0.183 4.503 4.320 -0.000 0.000 0.277 333 K C -0.901 175.618 176.600 -0.136 0.000 1.053 333 K CA -0.162 56.125 56.287 0.000 0.000 0.892 333 K CB 0.278 32.867 32.500 0.147 0.000 1.102 333 K HN 0.359 nan 8.250 nan 0.000 0.469 334 W N 4.828 126.094 121.300 -0.057 0.000 1.395 334 W HA 0.144 4.804 4.660 -0.000 0.000 0.451 334 W C 0.182 176.587 176.519 -0.190 0.000 0.619 334 W CA -0.486 56.778 57.345 -0.134 0.000 2.212 334 W CB -0.363 29.029 29.460 -0.112 0.000 1.537 334 W HN 0.563 nan 8.180 nan 0.000 0.275 335 S N 0.029 115.622 115.700 -0.179 0.000 2.632 335 S HA 0.310 4.780 4.470 -0.000 0.000 0.267 335 S C -1.359 173.067 174.600 -0.290 0.000 1.276 335 S CA -1.161 56.890 58.200 -0.248 0.000 0.998 335 S CB 1.434 64.311 63.200 -0.540 0.000 0.953 335 S HN -0.005 nan 8.310 nan 0.000 0.547 336 P HA -0.045 nan 4.420 nan 0.000 0.216 336 P C 1.509 178.737 177.300 -0.120 0.000 1.150 336 P CA 1.839 64.862 63.100 -0.129 0.000 0.837 336 P CB -0.368 31.381 31.700 0.082 0.000 0.786 337 A N -0.720 121.999 122.820 -0.169 0.000 1.933 337 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 337 A C 2.250 179.674 177.584 -0.266 0.000 1.175 337 A CA 2.111 54.087 52.037 -0.103 0.000 0.628 337 A CB -1.393 17.493 19.000 -0.191 0.000 0.814 337 A HN 0.114 nan 8.150 nan 0.000 0.444 338 M N -0.265 118.987 119.600 -0.580 0.000 2.117 338 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 338 M C 2.041 178.136 176.300 -0.342 0.000 1.065 338 M CA 1.841 56.888 55.300 -0.422 0.000 1.114 338 M CB -0.644 31.658 32.600 -0.496 0.000 1.361 338 M HN 0.442 nan 8.290 nan 0.000 0.408 339 M N -2.012 117.294 119.600 -0.489 0.000 2.108 339 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 339 M C 1.996 177.784 176.300 -0.853 0.000 1.066 339 M CA 1.967 56.752 55.300 -0.857 0.000 1.107 339 M CB -0.806 30.932 32.600 -1.437 0.000 1.356 339 M HN 0.386 nan 8.290 nan 0.000 0.406 340 W N 0.203 121.214 121.300 -0.482 0.000 2.388 340 W HA -0.077 4.583 4.660 -0.000 0.000 0.294 340 W C 2.717 179.346 176.519 0.184 0.000 1.212 340 W CA 1.061 58.392 57.345 -0.022 0.000 1.271 340 W CB -0.301 29.155 29.460 -0.008 0.000 1.126 340 W HN 0.211 nan 8.180 nan 0.000 0.535 341 A N -0.259 122.690 122.820 0.214 0.000 1.968 341 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 341 A C 1.874 179.573 177.584 0.191 0.000 1.169 341 A CA 1.041 53.157 52.037 0.130 0.000 0.638 341 A CB -0.774 18.179 19.000 -0.079 0.000 0.812 341 A HN 0.281 nan 8.150 nan 0.000 0.446 342 L N -0.904 120.392 121.223 0.121 0.000 2.131 342 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 342 L C 2.810 179.902 176.870 0.370 0.000 1.087 342 L CA 0.845 55.787 54.840 0.170 0.000 0.767 342 L CB -0.765 41.323 42.059 0.048 0.000 0.917 342 L HN 0.453 nan 8.230 nan 0.000 0.441 343 G N 0.137 109.240 108.800 0.505 0.000 2.446 343 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.217 343 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.217 343 G C 1.505 176.809 174.900 0.674 0.000 1.168 343 G CA 0.789 46.389 45.100 0.833 0.000 0.771 343 G HN 0.295 nan 8.290 nan 0.000 0.551 344 F N 1.460 121.739 119.950 0.548 0.000 2.065 344 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 344 F C 2.521 178.489 175.800 0.280 0.000 1.112 344 F CA 1.722 59.918 58.000 0.328 0.000 1.212 344 F CB -0.264 38.881 39.000 0.242 0.000 0.975 344 F HN 0.117 nan 8.300 nan 0.000 0.476 345 I N -0.789 120.105 120.570 0.539 0.000 2.208 345 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 345 I C 2.320 178.668 176.117 0.384 0.000 1.097 345 I CA 1.494 63.074 61.300 0.467 0.000 1.363 345 I CB -0.589 37.657 38.000 0.409 0.000 1.051 345 I HN 0.265 nan 8.210 nan 0.000 0.413 346 F N 1.284 121.379 119.950 0.242 0.000 2.187 346 F HA -0.069 4.458 4.527 -0.000 0.000 0.295 346 F C 2.079 177.968 175.800 0.149 0.000 1.091 346 F CA 1.497 59.619 58.000 0.203 0.000 1.308 346 F CB -0.332 38.813 39.000 0.241 0.000 1.030 346 F HN -0.138 nan 8.300 nan 0.000 0.487 347 L N -1.262 119.895 121.223 -0.110 0.000 2.179 347 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 347 L C 2.380 179.121 176.870 -0.215 0.000 1.096 347 L CA 0.893 55.587 54.840 -0.243 0.000 0.779 347 L CB -0.788 41.126 42.059 -0.242 0.000 0.922 347 L HN 0.184 nan 8.230 nan 0.000 0.443 348 F N 0.828 120.539 119.950 -0.398 0.000 2.134 348 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 348 F C 2.406 178.098 175.800 -0.180 0.000 1.097 348 F CA 1.908 59.667 58.000 -0.400 0.000 1.264 348 F CB -0.238 38.299 39.000 -0.772 0.000 1.001 348 F HN -0.088 nan 8.300 nan 0.000 0.479 349 T N 0.167 114.636 114.554 -0.141 0.000 2.708 349 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 349 T C 2.151 176.669 174.700 -0.304 0.000 1.037 349 T CA 1.598 63.603 62.100 -0.157 0.000 1.146 349 T CB -0.601 68.282 68.868 0.024 0.000 0.865 349 T HN 0.122 nan 8.240 nan 0.000 0.435 350 V N 1.369 121.039 119.914 -0.408 0.000 2.255 350 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 350 V C 2.840 178.707 176.094 -0.377 0.000 1.051 350 V CA 2.168 64.201 62.300 -0.444 0.000 1.018 350 V CB -1.335 30.106 31.823 -0.637 0.000 0.641 350 V HN 0.607 nan 8.190 nan 0.000 0.445 351 G N -0.348 108.246 108.800 -0.344 0.000 2.402 351 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 351 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 351 G C 1.628 176.418 174.900 -0.183 0.000 1.162 351 G CA 0.863 45.824 45.100 -0.231 0.000 0.777 351 G HN 0.605 nan 8.290 nan 0.000 0.539 352 G N 0.754 109.291 108.800 -0.439 0.000 2.432 352 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 352 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 352 G C 1.781 176.597 174.900 -0.140 0.000 1.135 352 G CA 0.689 45.603 45.100 -0.310 0.000 0.767 352 G HN 0.431 nan 8.290 nan 0.000 0.550 353 L N 1.002 122.131 121.223 -0.156 0.000 2.109 353 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 353 L C 3.295 180.118 176.870 -0.078 0.000 1.086 353 L CA 1.617 56.398 54.840 -0.098 0.000 0.760 353 L CB -0.651 41.349 42.059 -0.098 0.000 0.910 353 L HN 0.382 nan 8.230 nan 0.000 0.437 354 T N -3.481 111.022 114.554 -0.085 0.000 2.995 354 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 354 T C 1.925 176.563 174.700 -0.104 0.000 1.091 354 T CA 0.809 62.894 62.100 -0.025 0.000 1.128 354 T CB -0.651 68.134 68.868 -0.138 0.000 0.891 354 T HN 0.369 nan 8.240 nan 0.000 0.492 355 G N 1.973 110.614 108.800 -0.264 0.000 2.418 355 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 355 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 355 G C 1.480 176.220 174.900 -0.267 0.000 1.158 355 G CA 0.637 45.392 45.100 -0.575 0.000 0.771 355 G HN 0.449 nan 8.290 nan 0.000 0.545 356 I N 0.976 121.467 120.570 -0.130 0.000 2.286 356 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 356 I C 2.961 179.036 176.117 -0.071 0.000 1.115 356 I CA 0.700 61.954 61.300 -0.078 0.000 1.392 356 I CB -0.941 37.036 38.000 -0.038 0.000 1.065 356 I HN 0.033 nan 8.210 nan 0.000 0.418 357 V N 1.161 121.044 119.914 -0.052 0.000 2.287 357 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 357 V C 2.557 178.599 176.094 -0.087 0.000 1.053 357 V CA 1.623 63.893 62.300 -0.051 0.000 1.027 357 V CB -0.634 31.200 31.823 0.018 0.000 0.646 357 V HN 0.329 nan 8.190 nan 0.000 0.447 358 L N 0.166 121.334 121.223 -0.091 0.000 2.265 358 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 358 L C 2.592 179.428 176.870 -0.056 0.000 1.117 358 L CA 1.150 55.929 54.840 -0.101 0.000 0.782 358 L CB -0.713 41.246 42.059 -0.166 0.000 0.914 358 L HN 0.352 nan 8.230 nan 0.000 0.441 359 A N -0.597 122.173 122.820 -0.083 0.000 2.070 359 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 359 A C 1.038 178.646 177.584 0.040 0.000 1.159 359 A CA 0.805 52.855 52.037 0.022 0.000 0.656 359 A CB -0.517 18.467 19.000 -0.026 0.000 0.800 359 A HN 0.398 nan 8.150 nan 0.000 0.453 360 N N 1.294 119.954 118.700 -0.066 0.000 2.421 360 N HA 0.053 4.793 4.740 -0.000 0.000 0.260 360 N C 1.303 176.653 175.510 -0.267 0.000 1.173 360 N CA 0.718 53.678 53.050 -0.151 0.000 0.960 360 N CB 0.962 39.378 38.487 -0.119 0.000 1.273 360 N HN 0.563 nan 8.380 nan 0.000 0.497 361 S N 1.137 116.499 115.700 -0.564 0.000 2.402 361 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 361 S C 1.826 176.161 174.600 -0.442 0.000 1.030 361 S CA 1.193 58.804 58.200 -0.981 0.000 1.003 361 S CB -0.039 62.119 63.200 -1.736 0.000 0.813 361 S HN 0.385 nan 8.310 nan 0.000 0.477 362 S N 1.867 117.388 115.700 -0.300 0.000 2.368 362 S HA 0.132 4.602 4.470 -0.000 0.000 0.225 362 S C 1.782 176.296 174.600 -0.144 0.000 1.030 362 S CA 1.360 59.449 58.200 -0.185 0.000 0.999 362 S CB -0.513 62.604 63.200 -0.137 0.000 0.844 362 S HN 0.483 nan 8.310 nan 0.000 0.459 363 L N 0.933 122.067 121.223 -0.148 0.000 2.156 363 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 363 L C 2.243 179.040 176.870 -0.120 0.000 1.095 363 L CA 1.107 55.866 54.840 -0.135 0.000 0.770 363 L CB -0.443 41.520 42.059 -0.161 0.000 0.914 363 L HN 0.244 nan 8.230 nan 0.000 0.439 364 D N 0.201 120.539 120.400 -0.104 0.000 2.218 364 D HA -0.200 4.440 4.640 -0.000 0.000 0.204 364 D C 2.143 178.466 176.300 0.038 0.000 0.976 364 D CA 0.834 54.833 54.000 -0.002 0.000 0.853 364 D CB 0.199 41.082 40.800 0.139 0.000 0.939 364 D HN 0.073 nan 8.370 nan 0.000 0.481 365 I N 0.303 120.863 120.570 -0.016 0.000 2.194 365 I HA -0.225 3.945 4.170 -0.000 0.000 0.246 365 I C 2.300 178.441 176.117 0.041 0.000 1.093 365 I CA 0.852 62.165 61.300 0.021 0.000 1.355 365 I CB -1.203 36.787 38.000 -0.017 0.000 1.046 365 I HN 0.081 nan 8.210 nan 0.000 0.413 366 V N 0.288 120.201 119.914 -0.003 0.000 2.591 366 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 366 V C 2.302 178.387 176.094 -0.015 0.000 1.053 366 V CA 1.003 63.298 62.300 -0.009 0.000 1.068 366 V CB -0.236 31.565 31.823 -0.038 0.000 0.689 366 V HN 0.316 nan 8.190 nan 0.000 0.462 367 L N -1.329 119.873 121.223 -0.035 0.000 2.463 367 L HA 0.201 4.541 4.340 -0.000 0.000 0.219 367 L C 1.202 178.081 176.870 0.014 0.000 1.088 367 L CA -0.058 54.747 54.840 -0.058 0.000 0.849 367 L CB -0.314 41.625 42.059 -0.201 0.000 1.012 367 L HN 0.365 nan 8.230 nan 0.000 0.468 368 H N 1.246 120.314 119.070 -0.003 0.000 3.001 368 H HA -0.085 4.471 4.556 -0.000 0.000 0.334 368 H C 0.402 175.745 175.328 0.025 0.000 1.034 368 H CA 0.555 56.617 56.048 0.023 0.000 1.420 368 H CB 0.188 29.975 29.762 0.041 0.000 1.405 368 H HN 0.111 nan 8.280 nan 0.000 0.593 369 D N 2.198 122.107 120.400 -0.818 0.000 2.911 369 D HA -0.201 4.439 4.640 -0.000 0.000 0.227 369 D C -0.397 175.762 176.300 -0.236 0.000 1.164 369 D CA 1.440 55.148 54.000 -0.486 0.000 0.782 369 D CB -0.892 39.673 40.800 -0.391 0.000 1.094 369 D HN 0.762 nan 8.370 nan 0.000 0.425 370 T N -4.194 110.257 114.554 -0.171 0.000 2.910 370 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 370 T C 0.970 175.605 174.700 -0.107 0.000 1.050 370 T CA -0.740 61.298 62.100 -0.103 0.000 1.011 370 T CB 0.965 69.819 68.868 -0.022 0.000 1.195 370 T HN -0.055 nan 8.240 nan 0.000 0.540 371 Y N -0.427 119.810 120.300 -0.105 0.000 2.680 371 Y HA 0.044 4.594 4.550 -0.000 0.000 0.303 371 Y C 1.869 177.698 175.900 -0.120 0.000 1.166 371 Y CA 0.678 58.706 58.100 -0.120 0.000 1.344 371 Y CB -0.418 37.947 38.460 -0.159 0.000 1.002 371 Y HN 0.814 nan 8.280 nan 0.000 0.537 372 Y N -1.113 119.142 120.300 -0.076 0.000 2.314 372 Y HA -0.183 4.367 4.550 -0.000 0.000 0.293 372 Y C 2.066 177.898 175.900 -0.113 0.000 1.129 372 Y CA 1.078 59.114 58.100 -0.106 0.000 1.201 372 Y CB -0.176 38.250 38.460 -0.057 0.000 0.999 372 Y HN -0.085 nan 8.280 nan 0.000 0.541 373 V N -1.313 118.650 119.914 0.082 0.000 2.379 373 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 373 V C 2.218 178.236 176.094 -0.127 0.000 1.044 373 V CA 1.623 63.987 62.300 0.107 0.000 1.036 373 V CB -0.679 31.222 31.823 0.131 0.000 0.664 373 V HN 0.267 nan 8.190 nan 0.000 0.453 374 V N 0.568 120.253 119.914 -0.382 0.000 2.407 374 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 374 V C 2.706 178.384 176.094 -0.693 0.000 1.055 374 V CA 1.973 63.760 62.300 -0.854 0.000 1.049 374 V CB -1.203 30.236 31.823 -0.640 0.000 0.662 374 V HN 0.547 nan 8.190 nan 0.000 0.455 375 A N -0.129 122.417 122.820 -0.456 0.000 1.898 375 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 375 A C 2.106 179.445 177.584 -0.408 0.000 1.181 375 A CA 2.160 53.893 52.037 -0.506 0.000 0.620 375 A CB -0.836 17.518 19.000 -1.077 0.000 0.819 375 A HN 0.765 nan 8.150 nan 0.000 0.442 376 H N 0.380 119.182 119.070 -0.447 0.000 2.252 376 H HA -0.260 4.296 4.556 -0.000 0.000 0.292 376 H C 1.665 176.893 175.328 -0.167 0.000 1.082 376 H CA 2.696 58.589 56.048 -0.259 0.000 1.229 376 H CB -0.811 28.867 29.762 -0.139 0.000 1.353 376 H HN 0.618 nan 8.280 nan 0.000 0.488 377 F N -1.656 117.957 119.950 -0.561 0.000 2.456 377 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 377 F C 1.875 177.288 175.800 -0.646 0.000 1.104 377 F CA 0.655 58.233 58.000 -0.703 0.000 1.435 377 F CB -0.586 38.122 39.000 -0.486 0.000 1.078 377 F HN 0.168 nan 8.300 nan 0.000 0.546 378 H N -1.453 117.184 119.070 -0.721 0.000 2.502 378 H HA -0.004 4.552 4.556 -0.000 0.000 0.283 378 H C 1.334 176.179 175.328 -0.806 0.000 1.015 378 H CA 1.762 57.258 56.048 -0.920 0.000 1.298 378 H CB -0.270 28.354 29.762 -1.896 0.000 1.411 378 H HN 0.289 nan 8.280 nan 0.000 0.556 379 Y N -0.069 119.919 120.300 -0.519 0.000 2.184 379 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 379 Y C 2.568 178.238 175.900 -0.383 0.000 1.129 379 Y CA 1.260 59.117 58.100 -0.404 0.000 1.144 379 Y CB -0.337 37.922 38.460 -0.336 0.000 0.995 379 Y HN 0.148 nan 8.280 nan 0.000 0.513 380 V N -2.150 117.601 119.914 -0.272 0.000 2.626 380 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 380 V C 1.714 177.723 176.094 -0.142 0.000 1.067 380 V CA 1.649 63.823 62.300 -0.211 0.000 1.081 380 V CB -0.752 30.912 31.823 -0.266 0.000 0.686 380 V HN 0.378 nan 8.190 nan 0.000 0.468 381 L N -0.301 120.787 121.223 -0.225 0.000 2.286 381 L HA 0.172 4.512 4.340 -0.000 0.000 0.203 381 L C 2.676 179.475 176.870 -0.119 0.000 1.068 381 L CA 1.281 56.012 54.840 -0.182 0.000 0.811 381 L CB -0.217 41.682 42.059 -0.267 0.000 0.989 381 L HN 0.309 nan 8.230 nan 0.000 0.467 382 S N -0.788 114.797 115.700 -0.191 0.000 2.501 382 S HA 0.128 4.598 4.470 -0.000 0.000 0.220 382 S C 1.621 176.212 174.600 -0.015 0.000 0.997 382 S CA 0.476 58.641 58.200 -0.058 0.000 0.919 382 S CB 0.158 63.302 63.200 -0.094 0.000 0.778 382 S HN 0.260 nan 8.310 nan 0.000 0.523 383 M N -0.382 119.062 119.600 -0.260 0.000 2.313 383 M HA 0.317 4.797 4.480 -0.000 0.000 0.273 383 M C 1.615 177.700 176.300 -0.359 0.000 1.049 383 M CA 0.143 55.083 55.300 -0.600 0.000 1.004 383 M CB 0.820 32.927 32.600 -0.822 0.000 1.461 383 M HN 0.321 nan 8.290 nan 0.000 0.514 384 G N 0.207 108.951 108.800 -0.094 0.000 2.765 384 G HA2 0.225 4.185 3.960 -0.000 0.000 0.218 384 G HA3 0.225 4.185 3.960 -0.000 0.000 0.218 384 G C 1.444 176.576 174.900 0.385 0.000 1.271 384 G CA 0.673 45.796 45.100 0.039 0.000 0.865 384 G HN 0.325 nan 8.290 nan 0.000 0.604 385 A N 0.164 123.114 122.820 0.216 0.000 1.883 385 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 385 A C 2.541 180.259 177.584 0.224 0.000 1.186 385 A CA 2.084 54.234 52.037 0.188 0.000 0.624 385 A CB -0.833 18.189 19.000 0.036 0.000 0.822 385 A HN 0.306 nan 8.150 nan 0.000 0.444 386 V N -1.472 118.589 119.914 0.244 0.000 2.427 386 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 386 V C 2.263 178.548 176.094 0.319 0.000 1.051 386 V CA 1.772 64.219 62.300 0.244 0.000 1.048 386 V CB -0.796 31.194 31.823 0.279 0.000 0.666 386 V HN 0.623 nan 8.190 nan 0.000 0.456 387 F N 0.039 120.136 119.950 0.246 0.000 2.259 387 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 387 F C 2.417 178.363 175.800 0.243 0.000 1.088 387 F CA 0.763 58.996 58.000 0.389 0.000 1.358 387 F CB -0.242 39.166 39.000 0.680 0.000 1.040 387 F HN 0.137 nan 8.300 nan 0.000 0.505 388 A N 0.481 123.557 122.820 0.425 0.000 1.930 388 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 388 A C 2.085 179.656 177.584 -0.022 0.000 1.175 388 A CA 1.232 53.313 52.037 0.073 0.000 0.627 388 A CB -0.920 18.053 19.000 -0.045 0.000 0.815 388 A HN 0.369 nan 8.150 nan 0.000 0.443 389 I N -0.696 119.897 120.570 0.039 0.000 2.127 389 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 389 I C 2.597 178.712 176.117 -0.002 0.000 1.075 389 I CA 1.395 62.731 61.300 0.059 0.000 1.334 389 I CB -0.259 37.828 38.000 0.145 0.000 1.040 389 I HN 0.251 nan 8.210 nan 0.000 0.405 390 M N 0.207 119.649 119.600 -0.264 0.000 2.159 390 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 390 M C 2.352 178.308 176.300 -0.573 0.000 1.063 390 M CA 1.803 56.709 55.300 -0.657 0.000 1.110 390 M CB -1.983 29.519 32.600 -1.830 0.000 1.374 390 M HN 0.334 nan 8.290 nan 0.000 0.411 391 G N -0.354 108.216 108.800 -0.383 0.000 2.404 391 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 391 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 391 G C 1.612 176.488 174.900 -0.040 0.000 1.174 391 G CA 0.942 45.997 45.100 -0.074 0.000 0.780 391 G HN 0.533 nan 8.290 nan 0.000 0.537 392 G N 0.515 109.272 108.800 -0.071 0.000 2.476 392 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 392 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 392 G C 1.650 176.746 174.900 0.327 0.000 1.164 392 G CA 1.088 46.177 45.100 -0.018 0.000 0.768 392 G HN 0.354 nan 8.290 nan 0.000 0.560 393 F N 1.766 121.887 119.950 0.285 0.000 2.113 393 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 393 F C 2.764 178.705 175.800 0.236 0.000 1.103 393 F CA 1.792 60.066 58.000 0.457 0.000 1.248 393 F CB -0.421 38.755 39.000 0.294 0.000 0.999 393 F HN 0.081 nan 8.300 nan 0.000 0.475 394 V N -1.490 118.524 119.914 0.166 0.000 2.453 394 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 394 V C 2.431 178.532 176.094 0.012 0.000 1.048 394 V CA 2.290 64.621 62.300 0.052 0.000 1.049 394 V CB -1.444 30.486 31.823 0.177 0.000 0.672 394 V HN 0.482 nan 8.190 nan 0.000 0.457 395 H N -0.697 118.297 119.070 -0.128 0.000 2.319 395 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 395 H C 1.772 176.919 175.328 -0.301 0.000 1.092 395 H CA 2.637 58.512 56.048 -0.288 0.000 1.302 395 H CB -0.171 29.228 29.762 -0.604 0.000 1.373 395 H HN 0.585 nan 8.280 nan 0.000 0.497 396 W N -0.853 120.214 121.300 -0.388 0.000 3.127 396 W HA 0.076 4.736 4.660 -0.000 0.000 0.344 396 W C 1.441 177.245 176.519 -1.191 0.000 1.151 396 W CA -0.409 56.372 57.345 -0.941 0.000 1.765 396 W CB -0.666 28.062 29.460 -1.219 0.000 1.085 396 W HN 0.189 nan 8.180 nan 0.000 0.596 397 F N 2.958 122.480 119.950 -0.713 0.000 2.161 397 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 397 F C -0.843 174.677 175.800 -0.467 0.000 1.089 397 F CA 1.630 59.191 58.000 -0.731 0.000 1.282 397 F CB -1.290 37.238 39.000 -0.788 0.000 1.010 397 F HN -0.263 nan 8.300 nan 0.000 0.485 398 P HA -0.123 nan 4.420 nan 0.000 0.221 398 P C 1.743 178.886 177.300 -0.262 0.000 1.150 398 P CA 1.000 63.987 63.100 -0.189 0.000 0.800 398 P CB -0.076 31.677 31.700 0.089 0.000 0.787 399 L N -1.692 119.240 121.223 -0.485 0.000 2.044 399 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 399 L C 1.871 178.442 176.870 -0.498 0.000 1.075 399 L CA 2.060 56.500 54.840 -0.667 0.000 0.747 399 L CB -1.202 40.031 42.059 -1.377 0.000 0.903 399 L HN -0.170 nan 8.230 nan 0.000 0.435 400 F N -0.421 119.017 119.950 -0.852 0.000 2.293 400 F HA 0.046 4.573 4.527 -0.000 0.000 0.297 400 F C 2.718 178.172 175.800 -0.577 0.000 1.089 400 F CA 0.810 58.157 58.000 -1.088 0.000 1.377 400 F CB -1.394 36.895 39.000 -1.185 0.000 1.051 400 F HN 0.398 nan 8.300 nan 0.000 0.511 401 S N -1.620 113.774 115.700 -0.510 0.000 2.497 401 S HA 0.404 4.874 4.470 -0.000 0.000 0.221 401 S C 1.854 176.139 174.600 -0.526 0.000 1.037 401 S CA 0.524 58.443 58.200 -0.469 0.000 0.920 401 S CB 0.341 62.973 63.200 -0.948 0.000 0.800 401 S HN 0.466 nan 8.310 nan 0.000 0.505 402 G N 0.077 108.595 108.800 -0.469 0.000 2.176 402 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 402 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 402 G C -0.230 174.388 174.900 -0.470 0.000 0.979 402 G CA 0.488 45.329 45.100 -0.431 0.000 0.641 402 G HN 0.533 nan 8.290 nan 0.000 0.530 403 Y N 0.865 121.052 120.300 -0.189 0.000 2.509 403 Y HA 0.672 5.222 4.550 -0.000 0.000 0.341 403 Y C 0.922 176.824 175.900 0.003 0.000 1.038 403 Y CA -0.692 57.357 58.100 -0.084 0.000 1.089 403 Y CB 1.678 40.072 38.460 -0.111 0.000 1.241 403 Y HN 0.308 nan 8.280 nan 0.000 0.468 404 T N 0.253 114.945 114.554 0.230 0.000 2.922 404 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 404 T C -0.242 174.528 174.700 0.117 0.000 1.005 404 T CA -0.838 61.365 62.100 0.172 0.000 1.061 404 T CB 0.545 69.472 68.868 0.099 0.000 1.007 404 T HN 0.472 nan 8.240 nan 0.000 0.502 405 L N 2.278 123.531 121.223 0.050 0.000 2.453 405 L HA 0.340 4.680 4.340 -0.000 0.000 0.261 405 L C 1.227 178.107 176.870 0.017 0.000 1.179 405 L CA -1.020 53.776 54.840 -0.072 0.000 0.813 405 L CB 0.278 42.264 42.059 -0.123 0.000 1.110 405 L HN 0.725 nan 8.230 nan 0.000 0.466 406 N N 1.097 119.832 118.700 0.058 0.000 2.420 406 N HA -0.045 4.695 4.740 -0.000 0.000 0.262 406 N C 0.076 175.680 175.510 0.156 0.000 1.144 406 N CA 0.000 53.137 53.050 0.145 0.000 0.952 406 N CB 1.110 39.800 38.487 0.338 0.000 1.081 406 N HN 0.531 nan 8.380 nan 0.000 0.480 407 D N 2.298 122.757 120.400 0.099 0.000 2.183 407 D HA -0.064 4.576 4.640 -0.000 0.000 0.203 407 D C 1.217 177.574 176.300 0.095 0.000 0.969 407 D CA 1.265 55.319 54.000 0.090 0.000 0.842 407 D CB 0.205 41.037 40.800 0.053 0.000 0.957 407 D HN 0.562 nan 8.370 nan 0.000 0.484 408 T N -0.799 113.785 114.554 0.051 0.000 2.777 408 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 408 T C 1.712 176.445 174.700 0.056 0.000 1.040 408 T CA 0.805 62.896 62.100 -0.014 0.000 1.141 408 T CB -0.408 68.372 68.868 -0.147 0.000 0.868 408 T HN 0.333 nan 8.240 nan 0.000 0.444 409 W N 1.157 122.525 121.300 0.113 0.000 2.402 409 W HA 0.068 4.728 4.660 -0.000 0.000 0.286 409 W C 2.744 179.380 176.519 0.196 0.000 1.221 409 W CA 0.423 57.868 57.345 0.167 0.000 1.257 409 W CB -0.140 29.431 29.460 0.185 0.000 1.120 409 W HN 0.210 nan 8.180 nan 0.000 0.551 410 A N 0.356 123.427 122.820 0.418 0.000 1.969 410 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 410 A C 1.808 179.606 177.584 0.357 0.000 1.169 410 A CA 1.552 53.829 52.037 0.401 0.000 0.635 410 A CB -0.512 18.667 19.000 0.298 0.000 0.810 410 A HN 0.267 nan 8.150 nan 0.000 0.445 411 K N -0.289 120.241 120.400 0.216 0.000 2.057 411 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 411 K C 1.729 178.435 176.600 0.177 0.000 1.049 411 K CA 1.553 57.919 56.287 0.131 0.000 0.931 411 K CB -0.393 32.136 32.500 0.048 0.000 0.714 411 K HN 0.509 nan 8.250 nan 0.000 0.440 412 I N 0.639 121.336 120.570 0.212 0.000 2.163 412 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 412 I C 2.726 179.004 176.117 0.269 0.000 1.085 412 I CA 1.396 62.828 61.300 0.220 0.000 1.347 412 I CB -0.454 37.711 38.000 0.275 0.000 1.044 412 I HN 0.351 nan 8.210 nan 0.000 0.408 413 H N 0.841 120.085 119.070 0.291 0.000 2.290 413 H HA -0.291 4.265 4.556 -0.000 0.000 0.298 413 H C 2.345 177.795 175.328 0.204 0.000 1.087 413 H CA 2.358 58.584 56.048 0.296 0.000 1.291 413 H CB -0.302 29.692 29.762 0.386 0.000 1.369 413 H HN 0.294 nan 8.280 nan 0.000 0.492 414 F N 1.675 121.465 119.950 -0.267 0.000 2.063 414 F HA -0.322 4.205 4.527 -0.000 0.000 0.298 414 F C 2.684 178.232 175.800 -0.420 0.000 1.105 414 F CA 2.321 59.828 58.000 -0.823 0.000 1.215 414 F CB -0.937 37.451 39.000 -1.020 0.000 0.972 414 F HN 0.269 nan 8.300 nan 0.000 0.483 415 A N 0.427 123.086 122.820 -0.267 0.000 1.902 415 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 415 A C 2.340 179.823 177.584 -0.168 0.000 1.181 415 A CA 1.958 53.855 52.037 -0.233 0.000 0.623 415 A CB -1.190 17.796 19.000 -0.024 0.000 0.818 415 A HN 0.536 nan 8.150 nan 0.000 0.443 416 I N -1.471 119.050 120.570 -0.082 0.000 2.202 416 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 416 I C 2.640 178.737 176.117 -0.034 0.000 1.091 416 I CA 1.806 63.104 61.300 -0.004 0.000 1.368 416 I CB -0.235 37.812 38.000 0.079 0.000 1.058 416 I HN 0.419 nan 8.210 nan 0.000 0.410 417 M N 0.522 120.053 119.600 -0.115 0.000 2.108 417 M HA -0.272 4.208 4.480 -0.000 0.000 0.261 417 M C 2.086 178.380 176.300 -0.010 0.000 1.066 417 M CA 1.965 57.242 55.300 -0.039 0.000 1.107 417 M CB -0.563 32.023 32.600 -0.024 0.000 1.356 417 M HN 0.190 nan 8.290 nan 0.000 0.406 418 F N -0.463 119.269 119.950 -0.364 0.000 2.102 418 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 418 F C 1.878 177.639 175.800 -0.065 0.000 1.105 418 F CA 1.822 59.692 58.000 -0.218 0.000 1.239 418 F CB -0.505 38.130 39.000 -0.609 0.000 0.991 418 F HN -0.024 nan 8.300 nan 0.000 0.474 419 V N 0.306 120.255 119.914 0.059 0.000 2.295 419 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 419 V C 2.749 178.824 176.094 -0.030 0.000 1.049 419 V CA 2.004 64.320 62.300 0.028 0.000 1.024 419 V CB -1.662 30.198 31.823 0.062 0.000 0.648 419 V HN 0.541 nan 8.190 nan 0.000 0.447 420 G N 0.567 109.363 108.800 -0.006 0.000 2.459 420 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 420 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 420 G C 1.764 176.638 174.900 -0.042 0.000 1.183 420 G CA 1.808 46.907 45.100 -0.002 0.000 0.776 420 G HN 0.582 nan 8.290 nan 0.000 0.552 421 V N -0.640 119.268 119.914 -0.010 0.000 2.407 421 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 421 V C 2.268 178.323 176.094 -0.064 0.000 1.055 421 V CA 2.149 64.470 62.300 0.034 0.000 1.049 421 V CB -0.675 31.224 31.823 0.127 0.000 0.662 421 V HN 0.264 nan 8.190 nan 0.000 0.455 422 N N 0.060 118.657 118.700 -0.172 0.000 2.216 422 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 422 N C 1.851 177.366 175.510 0.009 0.000 1.017 422 N CA 2.049 55.038 53.050 -0.101 0.000 0.861 422 N CB -0.236 38.111 38.487 -0.232 0.000 0.986 422 N HN 0.588 nan 8.380 nan 0.000 0.428 423 M N 0.796 120.373 119.600 -0.039 0.000 2.175 423 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 423 M C 1.636 177.877 176.300 -0.097 0.000 1.063 423 M CA 1.261 56.553 55.300 -0.014 0.000 1.119 423 M CB -0.080 32.513 32.600 -0.011 0.000 1.377 423 M HN 0.002 nan 8.290 nan 0.000 0.415 424 T N 0.092 114.490 114.554 -0.261 0.000 2.701 424 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 424 T C 1.235 175.527 174.700 -0.680 0.000 1.040 424 T CA 1.639 63.397 62.100 -0.570 0.000 1.147 424 T CB -0.361 67.897 68.868 -1.016 0.000 0.865 424 T HN 0.401 nan 8.240 nan 0.000 0.426 425 F N -0.591 119.288 119.950 -0.118 0.000 2.582 425 F HA 0.310 4.837 4.527 -0.000 0.000 0.290 425 F C 1.826 177.599 175.800 -0.044 0.000 1.115 425 F CA -0.368 57.546 58.000 -0.144 0.000 1.445 425 F CB -0.257 38.591 39.000 -0.252 0.000 1.126 425 F HN 0.025 nan 8.300 nan 0.000 0.574 426 F N 2.540 122.562 119.950 0.120 0.000 2.126 426 F HA -0.084 4.442 4.527 -0.000 0.000 0.299 426 F C -0.920 174.694 175.800 -0.311 0.000 1.096 426 F CA 1.232 59.272 58.000 0.067 0.000 1.255 426 F CB -1.511 37.515 39.000 0.043 0.000 0.997 426 F HN -0.141 nan 8.300 nan 0.000 0.479 427 P HA -0.133 nan 4.420 nan 0.000 0.226 427 P C 1.106 178.053 177.300 -0.589 0.000 1.153 427 P CA 1.304 64.026 63.100 -0.630 0.000 0.777 427 P CB -0.176 31.476 31.700 -0.080 0.000 0.794 428 Q N -1.435 118.108 119.800 -0.429 0.000 2.226 428 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 428 Q C 1.719 177.466 176.000 -0.422 0.000 0.975 428 Q CA 1.273 56.885 55.803 -0.319 0.000 0.866 428 Q CB -0.691 27.978 28.738 -0.115 0.000 0.915 428 Q HN 0.519 nan 8.270 nan 0.000 0.440 429 H N -0.657 118.013 119.070 -0.667 0.000 2.319 429 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 429 H C 1.536 176.655 175.328 -0.348 0.000 1.092 429 H CA 1.701 57.353 56.048 -0.658 0.000 1.302 429 H CB -0.082 29.055 29.762 -1.043 0.000 1.373 429 H HN 0.199 nan 8.280 nan 0.000 0.497 430 F N 0.331 120.120 119.950 -0.268 0.000 2.134 430 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 430 F C 2.265 178.041 175.800 -0.039 0.000 1.097 430 F CA 0.791 58.648 58.000 -0.240 0.000 1.264 430 F CB -1.035 37.530 39.000 -0.725 0.000 1.001 430 F HN 0.079 nan 8.300 nan 0.000 0.479 431 L N -0.264 121.029 121.223 0.117 0.000 2.043 431 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 431 L C 2.747 179.651 176.870 0.057 0.000 1.075 431 L CA 1.585 56.474 54.840 0.081 0.000 0.752 431 L CB -1.462 40.517 42.059 -0.133 0.000 0.891 431 L HN 0.292 nan 8.230 nan 0.000 0.432 432 G N -0.115 108.745 108.800 0.099 0.000 2.404 432 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 1.614 176.600 174.900 0.144 0.000 1.174 432 G CA 0.397 45.587 45.100 0.149 0.000 0.780 432 G HN 0.217 nan 8.290 nan 0.000 0.537 433 L N 1.609 122.949 121.223 0.195 0.000 2.131 433 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 433 L C 2.952 179.896 176.870 0.125 0.000 1.092 433 L CA 1.490 56.400 54.840 0.116 0.000 0.759 433 L CB -0.298 41.853 42.059 0.155 0.000 0.903 433 L HN 0.416 nan 8.230 nan 0.000 0.435 434 S N -1.016 114.803 115.700 0.197 0.000 2.593 434 S HA 0.209 4.679 4.470 -0.000 0.000 0.217 434 S C 1.344 176.126 174.600 0.304 0.000 0.966 434 S CA 0.290 58.640 58.200 0.251 0.000 0.914 434 S CB 0.478 63.890 63.200 0.354 0.000 0.776 434 S HN 0.540 nan 8.310 nan 0.000 0.523 435 G N 1.232 110.135 108.800 0.171 0.000 2.134 435 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.209 435 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.209 435 G C -0.154 174.711 174.900 -0.058 0.000 0.993 435 G CA -0.005 45.153 45.100 0.096 0.000 0.669 435 G HN 0.581 nan 8.290 nan 0.000 0.519 436 M N 1.386 120.780 119.600 -0.342 0.000 2.227 436 M HA 0.389 4.869 4.480 -0.000 0.000 0.349 436 M C -2.088 174.033 176.300 -0.298 0.000 1.443 436 M CA -1.388 53.514 55.300 -0.663 0.000 1.110 436 M CB 0.667 32.699 32.600 -0.947 0.000 1.773 436 M HN -0.012 nan 8.290 nan 0.000 0.463 437 P HA 0.118 nan 4.420 nan 0.000 0.272 437 P C -1.266 175.854 177.300 -0.300 0.000 1.223 437 P CA -0.240 62.546 63.100 -0.523 0.000 0.784 437 P CB 0.445 31.478 31.700 -1.112 0.000 0.923 438 R N 1.722 122.086 120.500 -0.225 0.000 2.583 438 R HA 0.466 4.806 4.340 -0.000 0.000 0.268 438 R C -0.103 176.234 176.300 0.062 0.000 1.101 438 R CA -0.651 55.333 56.100 -0.193 0.000 1.180 438 R CB 0.177 30.299 30.300 -0.296 0.000 1.128 438 R HN 0.330 nan 8.270 nan 0.000 0.568 439 R N -1.386 119.245 120.500 0.220 0.000 3.770 439 R HA -0.203 4.137 4.340 -0.000 0.000 0.305 439 R C -1.100 175.557 176.300 0.595 0.000 1.184 439 R CA 1.018 57.344 56.100 0.377 0.000 0.823 439 R CB -2.130 28.321 30.300 0.251 0.000 1.285 439 R HN 0.631 nan 8.270 nan 0.000 0.499 440 Y N -0.749 119.710 120.300 0.265 0.000 2.361 440 Y HA 0.151 4.701 4.550 -0.000 0.000 0.332 440 Y C 1.679 177.496 175.900 -0.138 0.000 1.101 440 Y CA -0.155 58.013 58.100 0.115 0.000 1.137 440 Y CB 1.607 40.143 38.460 0.127 0.000 1.207 440 Y HN 0.156 nan 8.280 nan 0.000 0.463 441 S N -0.176 115.319 115.700 -0.342 0.000 2.558 441 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 441 S C -0.223 174.131 174.600 -0.411 0.000 0.975 441 S CA 0.289 58.006 58.200 -0.805 0.000 0.912 441 S CB 0.160 62.964 63.200 -0.660 0.000 0.776 441 S HN 0.733 nan 8.310 nan 0.000 0.526 442 D N -0.585 119.684 120.400 -0.220 0.000 2.653 442 D HA 0.477 5.117 4.640 -0.000 0.000 0.258 442 D C -1.808 174.443 176.300 -0.083 0.000 1.252 442 D CA -0.724 53.079 54.000 -0.328 0.000 0.777 442 D CB 1.313 41.919 40.800 -0.322 0.000 1.339 442 D HN 0.208 nan 8.370 nan 0.000 0.422 443 Y N -1.847 118.516 120.300 0.104 0.000 2.553 443 Y HA 0.765 5.315 4.550 -0.000 0.000 0.347 443 Y C -2.667 173.364 175.900 0.217 0.000 1.019 443 Y CA -2.542 55.690 58.100 0.219 0.000 1.032 443 Y CB -0.070 38.507 38.460 0.194 0.000 1.284 443 Y HN 0.050 nan 8.280 nan 0.000 0.466 444 P HA 0.049 nan 4.420 nan 0.000 0.266 444 P C 0.038 177.511 177.300 0.289 0.000 1.193 444 P CA 0.269 63.549 63.100 0.300 0.000 0.770 444 P CB 0.861 32.711 31.700 0.250 0.000 0.836 445 D N 1.604 122.072 120.400 0.114 0.000 2.218 445 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 445 D C 1.858 178.165 176.300 0.012 0.000 0.976 445 D CA 1.497 55.551 54.000 0.090 0.000 0.853 445 D CB -0.528 40.280 40.800 0.013 0.000 0.939 445 D HN 0.366 nan 8.370 nan 0.000 0.481 446 A N 0.090 122.826 122.820 -0.140 0.000 2.024 446 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 446 A C 1.318 178.732 177.584 -0.282 0.000 1.164 446 A CA 0.960 52.835 52.037 -0.270 0.000 0.643 446 A CB -0.850 17.889 19.000 -0.435 0.000 0.806 446 A HN 0.266 nan 8.150 nan 0.000 0.451 447 Y N 0.430 120.727 120.300 -0.006 0.000 2.502 447 Y HA 0.045 4.595 4.550 -0.000 0.000 0.295 447 Y C 2.367 178.054 175.900 -0.355 0.000 1.193 447 Y CA 0.552 58.557 58.100 -0.158 0.000 1.295 447 Y CB -1.134 37.206 38.460 -0.201 0.000 1.059 447 Y HN 0.226 nan 8.280 nan 0.000 0.514 448 T N 0.037 114.557 114.554 -0.056 0.000 2.708 448 T HA -0.284 4.066 4.350 -0.000 0.000 0.266 448 T C 2.090 176.683 174.700 -0.178 0.000 1.037 448 T CA 1.701 63.781 62.100 -0.033 0.000 1.146 448 T CB -0.247 68.665 68.868 0.074 0.000 0.865 448 T HN 0.440 nan 8.240 nan 0.000 0.435 449 M N -0.543 118.871 119.600 -0.310 0.000 2.080 449 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 449 M C 1.904 178.015 176.300 -0.316 0.000 1.068 449 M CA 1.831 56.881 55.300 -0.417 0.000 1.109 449 M CB -0.218 31.929 32.600 -0.755 0.000 1.342 449 M HN 0.406 nan 8.290 nan 0.000 0.405 450 W N 0.378 121.646 121.300 -0.052 0.000 2.388 450 W HA -0.106 4.554 4.660 -0.000 0.000 0.294 450 W C 2.226 178.650 176.519 -0.157 0.000 1.212 450 W CA 0.095 57.415 57.345 -0.043 0.000 1.271 450 W CB -0.573 28.896 29.460 0.016 0.000 1.126 450 W HN 0.288 nan 8.180 nan 0.000 0.535 451 N N 0.013 118.653 118.700 -0.101 0.000 2.166 451 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 451 N C 1.511 176.961 175.510 -0.101 0.000 1.019 451 N CA 2.085 55.001 53.050 -0.225 0.000 0.856 451 N CB -0.656 37.500 38.487 -0.552 0.000 0.993 451 N HN 0.103 nan 8.380 nan 0.000 0.426 452 T N 1.914 116.425 114.554 -0.071 0.000 2.674 452 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 452 T C 2.120 176.793 174.700 -0.046 0.000 1.039 452 T CA 0.692 62.761 62.100 -0.052 0.000 1.150 452 T CB -0.127 68.705 68.868 -0.059 0.000 0.864 452 T HN 0.185 nan 8.240 nan 0.000 0.427 453 I N 1.056 121.630 120.570 0.006 0.000 2.361 453 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 453 I C 2.727 178.841 176.117 -0.006 0.000 1.133 453 I CA 0.908 62.233 61.300 0.042 0.000 1.413 453 I CB -0.336 37.773 38.000 0.182 0.000 1.073 453 I HN 0.250 nan 8.210 nan 0.000 0.424 454 S N -0.015 115.661 115.700 -0.039 0.000 2.387 454 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 454 S C 2.190 176.690 174.600 -0.167 0.000 1.026 454 S CA 1.729 59.841 58.200 -0.147 0.000 0.972 454 S CB -0.063 63.021 63.200 -0.194 0.000 0.814 454 S HN 0.377 nan 8.310 nan 0.000 0.477 455 S N 1.313 116.938 115.700 -0.124 0.000 2.387 455 S HA 0.077 4.547 4.470 -0.000 0.000 0.226 455 S C 1.875 176.385 174.600 -0.151 0.000 1.026 455 S CA 1.290 59.418 58.200 -0.119 0.000 0.972 455 S CB -0.341 62.794 63.200 -0.108 0.000 0.814 455 S HN 0.523 nan 8.310 nan 0.000 0.477 456 M N 1.063 120.570 119.600 -0.154 0.000 2.159 456 M HA -0.061 4.419 4.480 -0.000 0.000 0.263 456 M C 2.478 178.755 176.300 -0.039 0.000 1.063 456 M CA 1.463 56.676 55.300 -0.146 0.000 1.110 456 M CB -0.908 31.633 32.600 -0.098 0.000 1.374 456 M HN 0.456 nan 8.290 nan 0.000 0.411 457 G N 0.273 109.041 108.800 -0.053 0.000 2.442 457 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 457 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 457 G C 1.641 176.526 174.900 -0.024 0.000 1.141 457 G CA 1.388 46.457 45.100 -0.053 0.000 0.763 457 G HN 0.578 nan 8.290 nan 0.000 0.554 458 S N -0.029 115.657 115.700 -0.023 0.000 2.402 458 S HA 0.001 4.471 4.470 -0.000 0.000 0.229 458 S C 2.127 176.850 174.600 0.206 0.000 1.021 458 S CA 0.883 59.108 58.200 0.041 0.000 0.974 458 S CB -0.629 62.590 63.200 0.032 0.000 0.800 458 S HN 0.368 nan 8.310 nan 0.000 0.484 459 F N 1.551 121.479 119.950 -0.037 0.000 2.186 459 F HA 0.076 4.603 4.527 -0.000 0.000 0.299 459 F C 2.277 178.079 175.800 0.004 0.000 1.090 459 F CA 0.773 58.767 58.000 -0.010 0.000 1.307 459 F CB -0.284 38.711 39.000 -0.007 0.000 1.019 459 F HN 0.192 nan 8.300 nan 0.000 0.489 460 I N -0.824 119.856 120.570 0.182 0.000 2.208 460 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 460 I C 2.276 178.447 176.117 0.089 0.000 1.097 460 I CA 1.256 62.621 61.300 0.109 0.000 1.363 460 I CB -0.542 37.504 38.000 0.077 0.000 1.051 460 I HN 0.006 nan 8.210 nan 0.000 0.413 461 S N 0.724 116.473 115.700 0.083 0.000 2.428 461 S HA -0.100 4.370 4.470 -0.000 0.000 0.230 461 S C 1.860 176.511 174.600 0.086 0.000 1.014 461 S CA 0.759 59.018 58.200 0.098 0.000 0.957 461 S CB -0.266 62.999 63.200 0.108 0.000 0.784 461 S HN 0.323 nan 8.310 nan 0.000 0.499 462 L N 2.086 123.331 121.223 0.037 0.000 2.046 462 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 462 L C 2.150 179.020 176.870 0.001 0.000 1.077 462 L CA 1.919 56.744 54.840 -0.025 0.000 0.747 462 L CB -1.437 40.520 42.059 -0.171 0.000 0.896 462 L HN 0.153 nan 8.230 nan 0.000 0.432 463 T N 0.106 114.671 114.554 0.019 0.000 2.720 463 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 463 T C 1.939 176.700 174.700 0.103 0.000 1.037 463 T CA 1.406 63.532 62.100 0.043 0.000 1.144 463 T CB -0.591 68.313 68.868 0.060 0.000 0.864 463 T HN 0.568 nan 8.240 nan 0.000 0.444 464 A N 0.946 123.857 122.820 0.151 0.000 1.908 464 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 464 A C 2.591 180.361 177.584 0.309 0.000 1.181 464 A CA 1.553 53.762 52.037 0.286 0.000 0.627 464 A CB -1.087 18.061 19.000 0.247 0.000 0.818 464 A HN 0.362 nan 8.150 nan 0.000 0.445 465 V N 0.044 120.070 119.914 0.188 0.000 2.295 465 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 465 V C 2.671 178.792 176.094 0.045 0.000 1.049 465 V CA 2.289 64.656 62.300 0.111 0.000 1.024 465 V CB -0.711 31.151 31.823 0.066 0.000 0.648 465 V HN 0.587 nan 8.190 nan 0.000 0.447 466 M N -0.975 118.646 119.600 0.034 0.000 2.117 466 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 466 M C 2.251 178.573 176.300 0.037 0.000 1.065 466 M CA 1.795 57.102 55.300 0.011 0.000 1.114 466 M CB -0.557 32.034 32.600 -0.014 0.000 1.361 466 M HN 0.344 nan 8.290 nan 0.000 0.408 467 L N 0.530 121.796 121.223 0.070 0.000 2.046 467 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 467 L C 2.464 179.360 176.870 0.043 0.000 1.077 467 L CA 1.680 56.577 54.840 0.095 0.000 0.747 467 L CB -0.510 41.659 42.059 0.182 0.000 0.896 467 L HN 0.286 nan 8.230 nan 0.000 0.432 468 M N -1.852 117.688 119.600 -0.101 0.000 2.159 468 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 468 M C 1.951 178.174 176.300 -0.128 0.000 1.063 468 M CA 1.684 56.793 55.300 -0.319 0.000 1.110 468 M CB -0.028 32.308 32.600 -0.440 0.000 1.374 468 M HN 0.166 nan 8.290 nan 0.000 0.411 469 V N 0.582 120.474 119.914 -0.036 0.000 2.427 469 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 469 V C 2.124 178.264 176.094 0.076 0.000 1.051 469 V CA 1.830 64.142 62.300 0.020 0.000 1.048 469 V CB -0.948 30.894 31.823 0.031 0.000 0.666 469 V HN 0.625 nan 8.190 nan 0.000 0.456 470 F N 0.839 120.758 119.950 -0.051 0.000 2.146 470 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 470 F C 2.042 177.843 175.800 0.002 0.000 1.096 470 F CA 1.550 59.539 58.000 -0.018 0.000 1.275 470 F CB -0.357 38.536 39.000 -0.177 0.000 1.008 470 F HN 0.087 nan 8.300 nan 0.000 0.480 471 I N 0.524 120.815 120.570 -0.465 0.000 2.208 471 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 471 I C 2.395 178.271 176.117 -0.403 0.000 1.097 471 I CA 1.713 62.698 61.300 -0.524 0.000 1.363 471 I CB -0.553 37.323 38.000 -0.208 0.000 1.051 471 I HN 0.199 nan 8.210 nan 0.000 0.413 472 I N -0.670 119.770 120.570 -0.218 0.000 2.252 472 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 472 I C 2.449 178.581 176.117 0.026 0.000 1.102 472 I CA 1.379 62.605 61.300 -0.125 0.000 1.385 472 I CB -0.467 37.606 38.000 0.123 0.000 1.064 472 I HN 0.403 nan 8.210 nan 0.000 0.414 473 W N 2.314 123.553 121.300 -0.101 0.000 2.335 473 W HA -0.263 4.397 4.660 -0.000 0.000 0.311 473 W C 2.515 178.941 176.519 -0.155 0.000 1.213 473 W CA 1.924 59.242 57.345 -0.045 0.000 1.274 473 W CB -0.267 29.133 29.460 -0.100 0.000 1.148 473 W HN 0.079 nan 8.180 nan 0.000 0.498 474 E N 0.567 120.402 120.200 -0.609 0.000 2.150 474 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 474 E C 2.058 178.293 176.600 -0.609 0.000 0.985 474 E CA 1.567 57.449 56.400 -0.864 0.000 0.814 474 E CB -0.473 28.730 29.700 -0.827 0.000 0.752 474 E HN 0.321 nan 8.360 nan 0.000 0.466 475 A N 0.237 122.783 122.820 -0.456 0.000 1.855 475 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 475 A C 2.120 179.463 177.584 -0.401 0.000 1.191 475 A CA 1.146 52.968 52.037 -0.358 0.000 0.613 475 A CB -1.072 17.697 19.000 -0.386 0.000 0.829 475 A HN 0.303 nan 8.150 nan 0.000 0.442 476 F N 0.239 120.029 119.950 -0.266 0.000 2.216 476 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 476 F C 2.746 178.235 175.800 -0.518 0.000 1.085 476 F CA 0.772 58.565 58.000 -0.344 0.000 1.326 476 F CB -0.111 38.822 39.000 -0.111 0.000 1.027 476 F HN 0.285 nan 8.300 nan 0.000 0.497 477 A N -0.719 121.775 122.820 -0.542 0.000 1.898 477 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 477 A C 2.313 179.647 177.584 -0.417 0.000 1.181 477 A CA 2.047 53.697 52.037 -0.645 0.000 0.620 477 A CB -0.889 17.292 19.000 -1.365 0.000 0.819 477 A HN 0.288 nan 8.150 nan 0.000 0.442 478 S N -0.900 114.553 115.700 -0.412 0.000 2.406 478 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 478 S C 0.430 174.883 174.600 -0.246 0.000 1.030 478 S CA 0.698 58.739 58.200 -0.266 0.000 0.958 478 S CB -0.129 62.947 63.200 -0.206 0.000 0.811 478 S HN 0.581 nan 8.310 nan 0.000 0.489 479 K N 1.080 121.228 120.400 -0.419 0.000 3.239 479 K HA -0.156 4.164 4.320 -0.000 0.000 0.270 479 K C -0.973 175.595 176.600 -0.053 0.000 1.049 479 K CA 0.259 56.256 56.287 -0.483 0.000 0.769 479 K CB -1.288 31.032 32.500 -0.300 0.000 1.305 479 K HN 0.371 nan 8.250 nan 0.000 0.469 480 R N 1.822 122.331 120.500 0.015 0.000 2.248 480 R HA 0.097 4.437 4.340 -0.000 0.000 0.337 480 R C -0.060 176.384 176.300 0.240 0.000 1.085 480 R CA -0.105 56.058 56.100 0.105 0.000 0.934 480 R CB 0.382 30.718 30.300 0.061 0.000 1.034 480 R HN 0.258 nan 8.270 nan 0.000 0.465 481 E N 1.993 122.320 120.200 0.212 0.000 2.313 481 E HA 0.104 4.454 4.350 -0.000 0.000 0.276 481 E C -0.080 176.570 176.600 0.084 0.000 1.031 481 E CA -0.560 55.938 56.400 0.164 0.000 0.857 481 E CB 1.385 31.155 29.700 0.117 0.000 1.040 481 E HN 0.189 nan 8.360 nan 0.000 0.408 482 V N 4.302 124.243 119.914 0.045 0.000 2.763 482 V HA -0.086 4.034 4.120 -0.000 0.000 0.306 482 V C 1.088 177.204 176.094 0.036 0.000 1.059 482 V CA 0.724 63.048 62.300 0.040 0.000 1.138 482 V CB 0.474 32.323 31.823 0.043 0.000 0.940 482 V HN 0.717 nan 8.190 nan 0.000 0.489 483 L N 2.373 123.615 121.223 0.031 0.000 2.586 483 L HA 0.265 4.605 4.340 -0.000 0.000 0.204 483 L C 0.781 177.664 176.870 0.023 0.000 1.053 483 L CA 0.647 55.504 54.840 0.027 0.000 0.856 483 L CB 0.600 42.673 42.059 0.024 0.000 1.192 483 L HN 0.659 nan 8.230 nan 0.000 0.484 484 T N -0.133 114.427 114.554 0.009 0.000 2.909 484 T HA 0.633 4.983 4.350 -0.000 0.000 0.299 484 T C -1.133 173.542 174.700 -0.041 0.000 1.073 484 T CA -0.292 61.806 62.100 -0.003 0.000 0.999 484 T CB 2.971 71.835 68.868 -0.007 0.000 1.098 484 T HN -0.277 nan 8.240 nan 0.000 0.477 485 V N 2.446 122.320 119.914 -0.066 0.000 2.808 485 V HA 0.403 4.523 4.120 -0.000 0.000 0.308 485 V C -0.511 175.501 176.094 -0.137 0.000 1.099 485 V CA -0.977 61.218 62.300 -0.175 0.000 0.920 485 V CB 2.303 33.953 31.823 -0.289 0.000 1.014 485 V HN 0.870 nan 8.190 nan 0.000 0.425 486 D N 2.346 122.664 120.400 -0.136 0.000 2.383 486 D HA 0.498 5.138 4.640 -0.000 0.000 0.248 486 D C 0.728 176.934 176.300 -0.157 0.000 1.170 486 D CA -0.129 53.788 54.000 -0.138 0.000 0.977 486 D CB 1.313 41.992 40.800 -0.202 0.000 1.120 486 D HN 0.584 nan 8.370 nan 0.000 0.481 487 L N 0.292 121.420 121.223 -0.157 0.000 3.843 487 L HA -0.293 4.047 4.340 -0.000 0.000 0.411 487 L C 1.792 178.680 176.870 0.031 0.000 1.205 487 L CA 0.524 55.288 54.840 -0.126 0.000 0.945 487 L CB -2.503 39.338 42.059 -0.363 0.000 1.929 487 L HN 0.514 nan 8.230 nan 0.000 0.934 488 T N -5.218 109.370 114.554 0.057 0.000 2.929 488 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 488 T C 1.691 176.488 174.700 0.161 0.000 1.085 488 T CA 1.465 63.663 62.100 0.163 0.000 1.125 488 T CB -0.435 68.530 68.868 0.161 0.000 0.874 488 T HN 0.616 nan 8.240 nan 0.000 0.494 489 T N 0.320 114.933 114.554 0.098 0.000 3.007 489 T HA -0.028 4.322 4.350 -0.000 0.000 0.270 489 T C 1.615 176.383 174.700 0.114 0.000 1.107 489 T CA 1.179 63.337 62.100 0.096 0.000 1.118 489 T CB -0.711 68.191 68.868 0.056 0.000 0.889 489 T HN 0.648 nan 8.240 nan 0.000 0.506 490 T N -1.281 113.350 114.554 0.128 0.000 3.288 490 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 490 T C 0.032 174.874 174.700 0.237 0.000 1.008 490 T CA -0.812 61.373 62.100 0.142 0.000 0.929 490 T CB -0.060 68.857 68.868 0.082 0.000 1.152 490 T HN 0.241 nan 8.240 nan 0.000 0.517 491 N N 1.414 120.305 118.700 0.319 0.000 2.716 491 N HA 0.191 4.931 4.740 -0.000 0.000 0.245 491 N C 0.335 176.151 175.510 0.510 0.000 1.495 491 N CA -0.284 53.069 53.050 0.504 0.000 0.759 491 N CB 1.739 40.625 38.487 0.664 0.000 1.261 491 N HN 0.055 nan 8.380 nan 0.000 0.515 492 L N 1.997 123.457 121.223 0.394 0.000 2.187 492 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 492 L C 2.347 179.452 176.870 0.391 0.000 1.100 492 L CA 1.971 57.028 54.840 0.361 0.000 0.765 492 L CB -0.059 42.175 42.059 0.293 0.000 0.904 492 L HN 0.398 nan 8.230 nan 0.000 0.437 493 E N -1.819 118.593 120.200 0.353 0.000 2.338 493 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 493 E C 1.661 178.331 176.600 0.117 0.000 1.007 493 E CA 1.254 57.782 56.400 0.215 0.000 0.849 493 E CB -0.905 28.827 29.700 0.054 0.000 0.774 493 E HN 0.697 nan 8.360 nan 0.000 0.506 494 W N 0.266 121.705 121.300 0.232 0.000 3.197 494 W HA 0.214 4.874 4.660 -0.000 0.000 0.274 494 W C 1.653 178.246 176.519 0.124 0.000 1.297 494 W CA -0.502 56.934 57.345 0.152 0.000 1.662 494 W CB 0.155 29.692 29.460 0.128 0.000 1.106 494 W HN 0.070 nan 8.180 nan 0.000 0.663 495 L N 0.951 122.383 121.223 0.349 0.000 2.478 495 L HA 0.052 4.392 4.340 -0.000 0.000 0.223 495 L C 1.256 178.205 176.870 0.132 0.000 1.140 495 L CA 1.509 56.490 54.840 0.235 0.000 0.842 495 L CB -0.529 41.672 42.059 0.237 0.000 0.953 495 L HN -0.036 nan 8.230 nan 0.000 0.452 496 N N 0.366 119.120 118.700 0.090 0.000 2.314 496 N HA 0.191 4.931 4.740 -0.000 0.000 0.200 496 N C 0.756 176.290 175.510 0.040 0.000 1.135 496 N CA 0.780 53.829 53.050 -0.002 0.000 0.835 496 N CB 0.324 38.734 38.487 -0.128 0.000 0.989 496 N HN 0.393 nan 8.380 nan 0.000 0.478 497 G N 0.324 109.184 108.800 0.100 0.000 2.728 497 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.294 497 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.294 497 G C -0.913 174.042 174.900 0.093 0.000 1.342 497 G CA -0.710 44.449 45.100 0.098 0.000 0.866 497 G HN 0.296 nan 8.290 nan 0.000 0.534 498 C N 2.327 121.665 119.300 0.062 0.000 2.407 498 C HA 0.674 5.134 4.460 -0.000 0.000 0.328 498 C C -1.633 173.325 174.990 -0.054 0.000 1.137 498 C CA -0.704 58.321 59.018 0.012 0.000 1.390 498 C CB 1.223 28.990 27.740 0.045 0.000 1.989 498 C HN 0.817 nan 8.230 nan 0.000 0.432 499 P HA 0.384 nan 4.420 nan 0.000 0.276 499 P C -2.596 174.748 177.300 0.075 0.000 1.244 499 P CA -1.219 61.900 63.100 0.032 0.000 0.801 499 P CB 0.222 31.976 31.700 0.091 0.000 1.006 500 P HA 0.265 nan 4.420 nan 0.000 0.272 500 P C -2.472 174.850 177.300 0.037 0.000 1.240 500 P CA -1.499 61.644 63.100 0.072 0.000 0.791 500 P CB -1.227 30.528 31.700 0.092 0.000 0.978 501 P HA 0.028 nan 4.420 nan 0.000 0.269 501 P C 0.895 178.186 177.300 -0.015 0.000 1.215 501 P CA 0.003 63.111 63.100 0.012 0.000 0.780 501 P CB 0.096 31.803 31.700 0.012 0.000 0.898 502 Y N 1.452 121.647 120.300 -0.174 0.000 2.062 502 Y HA -0.277 4.273 4.550 -0.000 0.000 0.273 502 Y C 1.062 176.740 175.900 -0.370 0.000 1.206 502 Y CA 1.828 59.733 58.100 -0.324 0.000 1.125 502 Y CB -0.117 38.107 38.460 -0.392 0.000 0.951 502 Y HN 0.351 nan 8.280 nan 0.000 0.501 503 H N 0.460 119.555 119.070 0.042 0.000 2.556 503 H HA 0.310 4.866 4.556 -0.000 0.000 0.310 503 H C -0.058 175.250 175.328 -0.032 0.000 1.057 503 H CA 0.195 56.233 56.048 -0.017 0.000 1.264 503 H CB 0.824 30.617 29.762 0.053 0.000 1.404 503 H HN 0.144 nan 8.280 nan 0.000 0.462 504 T N -0.854 113.753 114.554 0.088 0.000 2.932 504 T HA 0.372 4.722 4.350 -0.000 0.000 0.289 504 T C 0.119 174.860 174.700 0.067 0.000 1.039 504 T CA -0.818 61.246 62.100 -0.060 0.000 1.024 504 T CB 1.301 70.058 68.868 -0.186 0.000 1.090 504 T HN 0.440 nan 8.240 nan 0.000 0.496 505 F N -0.445 119.543 119.950 0.063 0.000 3.093 505 F HA -0.215 4.312 4.527 -0.000 0.000 0.287 505 F C 1.313 177.127 175.800 0.023 0.000 0.882 505 F CA 0.496 58.520 58.000 0.040 0.000 1.063 505 F CB -2.539 36.476 39.000 0.026 0.000 1.097 505 F HN 0.810 nan 8.300 nan 0.000 0.604 506 E N 0.299 120.567 120.200 0.114 0.000 2.118 506 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 506 E C 1.103 177.743 176.600 0.066 0.000 0.992 506 E CA 1.417 57.854 56.400 0.061 0.000 0.804 506 E CB 0.021 29.729 29.700 0.012 0.000 0.741 506 E HN 0.644 nan 8.360 nan 0.000 0.458 507 E N 1.916 122.164 120.200 0.081 0.000 2.146 507 E HA 0.133 4.483 4.350 -0.000 0.000 0.282 507 E C -2.324 174.375 176.600 0.166 0.000 0.989 507 E CA -2.676 53.781 56.400 0.094 0.000 0.799 507 E CB 0.897 30.640 29.700 0.072 0.000 1.088 507 E HN -0.144 nan 8.360 nan 0.000 0.397 508 P HA 0.023 nan 4.420 nan 0.000 0.274 508 P C -0.336 177.088 177.300 0.207 0.000 1.256 508 P CA -0.411 62.797 63.100 0.181 0.000 0.795 508 P CB 0.518 32.263 31.700 0.075 0.000 1.038 509 T N -1.519 113.160 114.554 0.209 0.000 2.900 509 T HA 0.148 4.498 4.350 -0.000 0.000 0.307 509 T C -0.425 174.381 174.700 0.177 0.000 1.065 509 T CA -0.224 62.003 62.100 0.213 0.000 1.105 509 T CB 0.034 68.996 68.868 0.158 0.000 0.979 509 T HN 0.366 nan 8.240 nan 0.000 0.544 510 Y N 1.915 122.255 120.300 0.066 0.000 2.328 510 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 510 Y C -1.280 174.642 175.900 0.036 0.000 1.008 510 Y CA -1.262 56.863 58.100 0.042 0.000 1.129 510 Y CB 0.955 39.440 38.460 0.042 0.000 1.185 510 Y HN 0.601 nan 8.280 nan 0.000 0.476 511 V N 6.828 126.567 119.914 -0.293 0.000 2.524 511 V HA 0.272 4.392 4.120 -0.000 0.000 0.297 511 V C -0.573 175.296 176.094 -0.374 0.000 1.035 511 V CA -1.205 60.986 62.300 -0.181 0.000 0.867 511 V CB 1.573 33.351 31.823 -0.075 0.000 1.004 511 V HN 0.885 nan 8.190 nan 0.000 0.426 512 N N 2.514 121.051 118.700 -0.273 0.000 2.467 512 N HA 0.459 5.199 4.740 -0.000 0.000 0.262 512 N C 0.692 176.144 175.510 -0.097 0.000 1.234 512 N CA -0.524 52.405 53.050 -0.202 0.000 0.952 512 N CB 1.522 40.016 38.487 0.012 0.000 1.158 512 N HN 0.576 nan 8.380 nan 0.000 0.463 513 L N 1.305 122.483 121.223 -0.076 0.000 2.185 513 L HA 0.218 4.558 4.340 -0.000 0.000 0.198 513 L C 0.357 177.221 176.870 -0.010 0.000 1.079 513 L CA 0.668 55.486 54.840 -0.036 0.000 0.780 513 L CB -0.092 41.946 42.059 -0.035 0.000 0.955 513 L HN 0.680 nan 8.230 nan 0.000 0.462 514 K N 0.000 120.400 120.400 -0.001 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.012 0.000 0.838 514 K CB 0.000 32.509 32.500 0.016 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543