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 1v54_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 0.000 175.816 175.800 0.027 0.000 0.967 2 F CA 0.000 58.049 58.000 0.082 0.000 1.383 2 F CB 0.000 39.055 39.000 0.091 0.000 1.145 3 I N 1.542 122.117 120.570 0.008 0.000 2.252 3 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 3 I C 1.724 177.475 176.117 -0.611 0.000 1.102 3 I CA 1.599 62.724 61.300 -0.292 0.000 1.385 3 I CB -0.492 37.304 38.000 -0.340 0.000 1.064 3 I HN 0.265 nan 8.210 nan 0.000 0.414 4 N N 0.726 119.154 118.700 -0.454 0.000 2.104 4 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 4 N C 1.892 177.240 175.510 -0.272 0.000 1.024 4 N CA 1.272 54.136 53.050 -0.310 0.000 0.853 4 N CB -0.349 38.060 38.487 -0.131 0.000 1.008 4 N HN 0.310 nan 8.380 nan 0.000 0.424 5 R N -1.010 119.241 120.500 -0.415 0.000 2.075 5 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 5 R C 1.278 177.066 176.300 -0.855 0.000 1.114 5 R CA 1.116 56.816 56.100 -0.667 0.000 0.972 5 R CB -0.108 29.659 30.300 -0.889 0.000 0.869 5 R HN 0.253 nan 8.270 nan 0.000 0.437 6 W N -1.034 120.031 121.300 -0.393 0.000 3.013 6 W HA 0.199 4.858 4.660 -0.000 0.000 0.280 6 W C 1.014 177.522 176.519 -0.018 0.000 1.249 6 W CA -0.559 56.598 57.345 -0.312 0.000 1.577 6 W CB 0.473 29.551 29.460 -0.636 0.000 1.057 6 W HN 0.074 nan 8.180 nan 0.000 0.613 7 L N -1.718 119.534 121.223 0.047 0.000 2.609 7 L HA 0.216 4.556 4.340 -0.000 0.000 0.230 7 L C 0.796 177.884 176.870 0.362 0.000 1.064 7 L CA 0.862 55.763 54.840 0.102 0.000 0.873 7 L CB -0.395 41.520 42.059 -0.240 0.000 1.139 7 L HN -0.162 nan 8.230 nan 0.000 0.490 8 F N -1.161 118.784 119.950 -0.009 0.000 2.708 8 F HA 0.393 4.920 4.527 -0.000 0.000 0.300 8 F C 1.254 177.042 175.800 -0.020 0.000 1.118 8 F CA -1.126 56.862 58.000 -0.019 0.000 1.307 8 F CB -0.966 38.003 39.000 -0.051 0.000 0.986 8 F HN -0.198 nan 8.300 nan 0.000 0.522 9 S N 0.979 116.767 115.700 0.148 0.000 2.563 9 S HA 0.178 4.648 4.470 -0.000 0.000 0.284 9 S C 1.095 175.709 174.600 0.023 0.000 1.331 9 S CA 0.739 58.942 58.200 0.006 0.000 1.047 9 S CB 0.340 63.477 63.200 -0.106 0.000 0.859 9 S HN 0.480 nan 8.310 nan 0.000 0.514 10 T N 1.184 115.723 114.554 -0.025 0.000 3.460 10 T HA 0.299 4.649 4.350 -0.000 0.000 0.304 10 T C -0.249 174.391 174.700 -0.100 0.000 0.991 10 T CA -0.691 61.395 62.100 -0.023 0.000 0.975 10 T CB -0.475 68.403 68.868 0.016 0.000 1.196 10 T HN 0.540 nan 8.240 nan 0.000 0.490 11 N N 1.446 120.011 118.700 -0.224 0.000 2.392 11 N HA 0.161 4.901 4.740 -0.000 0.000 0.283 11 N C 1.009 176.261 175.510 -0.430 0.000 1.003 11 N CA -0.274 52.512 53.050 -0.439 0.000 0.892 11 N CB 1.477 39.444 38.487 -0.868 0.000 1.193 11 N HN 0.565 nan 8.380 nan 0.000 0.487 12 H N 3.204 122.027 119.070 -0.412 0.000 2.421 12 H HA 0.004 4.560 4.556 -0.000 0.000 0.298 12 H C 1.016 175.989 175.328 -0.591 0.000 1.087 12 H CA 1.401 57.214 56.048 -0.392 0.000 1.330 12 H CB 0.325 29.899 29.762 -0.313 0.000 1.388 12 H HN 0.499 nan 8.280 nan 0.000 0.526 13 K N 0.289 119.790 120.400 -1.498 0.000 2.031 13 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 13 K C 1.635 177.520 176.600 -1.193 0.000 1.049 13 K CA 1.271 56.439 56.287 -1.865 0.000 0.939 13 K CB 0.085 31.419 32.500 -1.943 0.000 0.717 13 K HN 0.244 nan 8.250 nan 0.000 0.438 14 D N 1.184 121.122 120.400 -0.769 0.000 2.117 14 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 14 D C 1.867 178.020 176.300 -0.245 0.000 0.987 14 D CA 1.019 54.786 54.000 -0.388 0.000 0.829 14 D CB -0.153 40.289 40.800 -0.597 0.000 0.961 14 D HN 0.136 nan 8.370 nan 0.000 0.460 15 I N 0.629 121.003 120.570 -0.326 0.000 2.315 15 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 15 I C 2.476 178.540 176.117 -0.088 0.000 1.117 15 I CA 1.201 62.364 61.300 -0.229 0.000 1.404 15 I CB -0.360 37.570 38.000 -0.116 0.000 1.071 15 I HN 0.020 nan 8.210 nan 0.000 0.419 16 G N 0.023 108.719 108.800 -0.173 0.000 2.422 16 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 16 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 16 G C 1.661 176.624 174.900 0.105 0.000 1.146 16 G CA 1.336 46.426 45.100 -0.016 0.000 0.769 16 G HN 0.267 nan 8.290 nan 0.000 0.547 17 T N 1.271 115.853 114.554 0.047 0.000 2.746 17 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 17 T C 2.427 177.146 174.700 0.031 0.000 1.039 17 T CA 0.793 62.997 62.100 0.174 0.000 1.142 17 T CB -0.192 68.827 68.868 0.252 0.000 0.866 17 T HN 0.150 nan 8.240 nan 0.000 0.444 18 L N -0.526 120.595 121.223 -0.170 0.000 2.042 18 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 18 L C 2.390 179.086 176.870 -0.291 0.000 1.076 18 L CA 1.608 56.123 54.840 -0.540 0.000 0.749 18 L CB -0.609 40.587 42.059 -1.439 0.000 0.893 18 L HN 0.276 nan 8.230 nan 0.000 0.432 19 Y N -0.036 120.165 120.300 -0.165 0.000 2.145 19 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 19 Y C 2.445 178.488 175.900 0.239 0.000 1.145 19 Y CA 1.434 59.654 58.100 0.199 0.000 1.148 19 Y CB -0.383 38.174 38.460 0.160 0.000 0.981 19 Y HN 0.047 nan 8.280 nan 0.000 0.507 20 L N -0.916 120.483 121.223 0.292 0.000 2.083 20 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 20 L C 2.254 179.274 176.870 0.250 0.000 1.083 20 L CA 1.105 56.074 54.840 0.216 0.000 0.752 20 L CB -0.659 41.487 42.059 0.144 0.000 0.899 20 L HN 0.267 nan 8.230 nan 0.000 0.433 21 L N -1.441 119.918 121.223 0.227 0.000 2.017 21 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 21 L C 2.561 179.606 176.870 0.292 0.000 1.073 21 L CA 1.348 56.313 54.840 0.208 0.000 0.745 21 L CB -0.558 41.565 42.059 0.107 0.000 0.894 21 L HN 0.168 nan 8.230 nan 0.000 0.432 22 F N 0.944 121.029 119.950 0.225 0.000 2.069 22 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 22 F C 2.268 178.288 175.800 0.367 0.000 1.113 22 F CA 1.773 59.946 58.000 0.289 0.000 1.214 22 F CB -0.596 38.603 39.000 0.332 0.000 0.978 22 F HN -0.006 nan 8.300 nan 0.000 0.474 23 G N -0.546 108.573 108.800 0.531 0.000 2.432 23 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 23 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 23 G C 1.756 176.792 174.900 0.226 0.000 1.135 23 G CA 0.754 46.084 45.100 0.384 0.000 0.767 23 G HN 0.626 nan 8.290 nan 0.000 0.550 24 A N -0.132 122.809 122.820 0.201 0.000 1.898 24 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 24 A C 2.136 179.806 177.584 0.144 0.000 1.181 24 A CA 1.472 53.582 52.037 0.122 0.000 0.620 24 A CB -0.688 18.375 19.000 0.104 0.000 0.819 24 A HN 0.520 nan 8.150 nan 0.000 0.442 25 W N 0.602 121.895 121.300 -0.011 0.000 2.355 25 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 25 W C 2.502 179.002 176.519 -0.030 0.000 1.206 25 W CA 2.203 59.515 57.345 -0.055 0.000 1.284 25 W CB -0.146 29.239 29.460 -0.124 0.000 1.145 25 W HN 0.351 nan 8.180 nan 0.000 0.502 26 A N 0.417 123.384 122.820 0.244 0.000 1.940 26 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 26 A C 2.203 179.853 177.584 0.109 0.000 1.176 26 A CA 1.994 54.196 52.037 0.275 0.000 0.631 26 A CB -1.688 17.485 19.000 0.288 0.000 0.814 26 A HN 0.414 nan 8.150 nan 0.000 0.446 27 G N -0.888 107.956 108.800 0.074 0.000 2.442 27 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.219 27 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.219 27 G C 1.467 176.354 174.900 -0.021 0.000 1.141 27 G CA 1.332 46.456 45.100 0.039 0.000 0.763 27 G HN 0.352 nan 8.290 nan 0.000 0.554 28 M N 0.460 119.992 119.600 -0.113 0.000 2.099 28 M HA -0.005 4.475 4.480 -0.000 0.000 0.262 28 M C 2.799 178.979 176.300 -0.199 0.000 1.067 28 M CA 0.722 55.910 55.300 -0.185 0.000 1.124 28 M CB -1.287 31.122 32.600 -0.319 0.000 1.353 28 M HN 0.117 nan 8.290 nan 0.000 0.410 29 V N 0.372 120.123 119.914 -0.271 0.000 2.295 29 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 29 V C 2.645 178.748 176.094 0.016 0.000 1.049 29 V CA 2.133 64.335 62.300 -0.163 0.000 1.024 29 V CB -1.835 29.943 31.823 -0.075 0.000 0.648 29 V HN 0.572 nan 8.190 nan 0.000 0.447 30 G N -0.775 108.067 108.800 0.071 0.000 2.432 30 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 30 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 30 G C 1.660 176.669 174.900 0.182 0.000 1.135 30 G CA 1.471 46.654 45.100 0.139 0.000 0.767 30 G HN 0.489 nan 8.290 nan 0.000 0.550 31 T N 1.373 115.974 114.554 0.079 0.000 2.812 31 T HA 0.134 4.484 4.350 -0.000 0.000 0.264 31 T C 2.844 177.542 174.700 -0.002 0.000 1.042 31 T CA 1.190 63.320 62.100 0.050 0.000 1.140 31 T CB -0.259 68.611 68.868 0.003 0.000 0.870 31 T HN 0.344 nan 8.240 nan 0.000 0.445 32 A N 1.374 124.178 122.820 -0.027 0.000 1.902 32 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 32 A C 2.269 179.842 177.584 -0.019 0.000 1.181 32 A CA 1.204 53.211 52.037 -0.050 0.000 0.623 32 A CB -0.882 18.080 19.000 -0.064 0.000 0.818 32 A HN 0.461 nan 8.150 nan 0.000 0.443 33 L N 0.366 121.609 121.223 0.034 0.000 2.083 33 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 33 L C 3.007 179.850 176.870 -0.044 0.000 1.083 33 L CA 1.602 56.470 54.840 0.048 0.000 0.752 33 L CB -0.421 41.728 42.059 0.150 0.000 0.899 33 L HN 0.624 nan 8.230 nan 0.000 0.433 34 S N -0.325 115.329 115.700 -0.077 0.000 2.428 34 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 34 S C 1.918 176.433 174.600 -0.142 0.000 1.014 34 S CA 0.682 58.719 58.200 -0.271 0.000 0.957 34 S CB -0.435 62.661 63.200 -0.173 0.000 0.784 34 S HN 0.373 nan 8.310 nan 0.000 0.499 35 L N 0.367 121.527 121.223 -0.105 0.000 2.109 35 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 35 L C 2.559 179.414 176.870 -0.025 0.000 1.086 35 L CA 0.780 55.545 54.840 -0.124 0.000 0.760 35 L CB -0.461 41.458 42.059 -0.232 0.000 0.910 35 L HN 0.310 nan 8.230 nan 0.000 0.437 36 L N -0.433 120.784 121.223 -0.010 0.000 2.046 36 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 36 L C 2.439 179.367 176.870 0.098 0.000 1.077 36 L CA 1.315 56.184 54.840 0.048 0.000 0.747 36 L CB -0.320 41.761 42.059 0.037 0.000 0.896 36 L HN 0.204 nan 8.230 nan 0.000 0.432 37 I N -0.673 119.926 120.570 0.048 0.000 2.127 37 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 37 I C 2.640 178.881 176.117 0.206 0.000 1.075 37 I CA 1.284 62.666 61.300 0.137 0.000 1.334 37 I CB -0.357 37.628 38.000 -0.024 0.000 1.040 37 I HN 0.234 nan 8.210 nan 0.000 0.405 38 R N 0.702 121.266 120.500 0.108 0.000 2.189 38 R HA -0.011 4.329 4.340 -0.000 0.000 0.218 38 R C 2.206 178.610 176.300 0.173 0.000 1.074 38 R CA 1.153 57.326 56.100 0.122 0.000 0.991 38 R CB -0.390 29.951 30.300 0.069 0.000 0.883 38 R HN 0.385 nan 8.270 nan 0.000 0.457 39 A N 1.208 124.143 122.820 0.192 0.000 1.897 39 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 39 A C 2.084 179.752 177.584 0.140 0.000 1.181 39 A CA 1.368 53.523 52.037 0.197 0.000 0.620 39 A CB -0.250 18.868 19.000 0.196 0.000 0.821 39 A HN 0.204 nan 8.150 nan 0.000 0.443 40 E N 0.356 120.650 120.200 0.157 0.000 2.110 40 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 40 E C 1.501 178.149 176.600 0.081 0.000 0.988 40 E CA 1.280 57.751 56.400 0.119 0.000 0.804 40 E CB -0.348 29.469 29.700 0.195 0.000 0.745 40 E HN 0.581 nan 8.360 nan 0.000 0.458 41 L N -0.798 120.511 121.223 0.144 0.000 2.592 41 L HA 0.286 4.626 4.340 -0.000 0.000 0.227 41 L C 2.086 179.084 176.870 0.214 0.000 1.127 41 L CA 0.297 55.264 54.840 0.211 0.000 0.884 41 L CB 0.002 42.184 42.059 0.206 0.000 1.065 41 L HN 0.224 nan 8.230 nan 0.000 0.457 42 G N 0.671 109.549 108.800 0.129 0.000 2.448 42 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 42 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 42 G C 0.577 175.526 174.900 0.082 0.000 1.127 42 G CA 0.431 45.580 45.100 0.081 0.000 0.766 42 G HN 0.541 nan 8.290 nan 0.000 0.552 43 Q N -1.078 118.779 119.800 0.095 0.000 2.435 43 Q HA 0.535 4.875 4.340 -0.000 0.000 0.282 43 Q C -3.304 172.704 176.000 0.013 0.000 1.020 43 Q CA -2.187 53.660 55.803 0.074 0.000 0.820 43 Q CB 1.690 30.435 28.738 0.011 0.000 1.436 43 Q HN -0.132 nan 8.270 nan 0.000 0.395 44 P HA 0.359 nan 4.420 nan 0.000 0.266 44 P C -0.034 177.148 177.300 -0.197 0.000 1.195 44 P CA 1.486 64.440 63.100 -0.244 0.000 0.768 44 P CB 0.566 32.199 31.700 -0.111 0.000 0.838 45 G N 1.074 109.719 108.800 -0.258 0.000 2.373 45 G HA2 0.017 3.977 3.960 -0.000 0.000 0.634 45 G HA3 0.017 3.977 3.960 -0.000 0.000 0.634 45 G C -1.199 173.607 174.900 -0.158 0.000 1.267 45 G CA -0.830 44.172 45.100 -0.165 0.000 1.008 45 G HN 0.517 nan 8.290 nan 0.000 0.497 46 T N 0.775 115.266 114.554 -0.104 0.000 2.797 46 T HA 0.532 4.882 4.350 -0.000 0.000 0.279 46 T C 1.043 175.717 174.700 -0.043 0.000 0.991 46 T CA 0.261 62.312 62.100 -0.082 0.000 0.979 46 T CB 1.680 70.507 68.868 -0.067 0.000 0.943 46 T HN 0.959 nan 8.240 nan 0.000 0.444 47 L N 3.960 125.170 121.223 -0.021 0.000 2.356 47 L HA 0.451 4.791 4.340 -0.000 0.000 0.193 47 L C 1.654 178.541 176.870 0.027 0.000 1.087 47 L CA 1.116 55.962 54.840 0.009 0.000 0.817 47 L CB -0.367 41.710 42.059 0.030 0.000 1.035 47 L HN 0.628 nan 8.230 nan 0.000 0.482 48 L N -0.967 120.285 121.223 0.048 0.000 2.145 48 L HA 0.438 4.778 4.340 -0.000 0.000 0.201 48 L C 1.205 178.106 176.870 0.052 0.000 1.075 48 L CA 0.544 55.422 54.840 0.064 0.000 0.773 48 L CB -0.518 41.605 42.059 0.107 0.000 0.936 48 L HN 0.480 nan 8.230 nan 0.000 0.451 49 G N -0.731 108.096 108.800 0.046 0.000 2.360 49 G HA2 0.089 4.049 3.960 -0.000 0.000 0.276 49 G HA3 0.089 4.049 3.960 -0.000 0.000 0.276 49 G C -1.847 173.070 174.900 0.027 0.000 1.256 49 G CA -0.079 45.041 45.100 0.034 0.000 0.890 49 G HN 0.143 nan 8.290 nan 0.000 0.486 50 D N -0.379 120.037 120.400 0.028 0.000 2.376 50 D HA 0.296 4.936 4.640 -0.000 0.000 0.268 50 D C 0.585 176.924 176.300 0.065 0.000 1.252 50 D CA -0.046 53.963 54.000 0.015 0.000 1.041 50 D CB 0.247 41.050 40.800 0.005 0.000 1.109 50 D HN 0.174 nan 8.370 nan 0.000 0.552 51 D N -1.486 118.948 120.400 0.055 0.000 2.309 51 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 51 D C 1.659 178.070 176.300 0.184 0.000 0.968 51 D CA 0.829 54.913 54.000 0.140 0.000 0.882 51 D CB -0.018 40.831 40.800 0.082 0.000 0.918 51 D HN 0.404 nan 8.370 nan 0.000 0.503 52 Q N 0.953 120.826 119.800 0.123 0.000 1.990 52 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 52 Q C 2.133 178.212 176.000 0.130 0.000 0.980 52 Q CA 0.931 56.804 55.803 0.117 0.000 0.832 52 Q CB -0.476 28.301 28.738 0.065 0.000 0.897 52 Q HN 0.361 nan 8.270 nan 0.000 0.427 53 I N -0.295 120.349 120.570 0.123 0.000 2.286 53 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 53 I C 2.001 178.202 176.117 0.140 0.000 1.115 53 I CA 1.294 62.665 61.300 0.118 0.000 1.392 53 I CB -0.167 37.895 38.000 0.105 0.000 1.065 53 I HN 0.439 nan 8.210 nan 0.000 0.418 54 Y N 1.904 122.245 120.300 0.068 0.000 2.097 54 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 54 Y C 2.306 178.262 175.900 0.094 0.000 1.152 54 Y CA 2.114 60.261 58.100 0.077 0.000 1.136 54 Y CB -0.284 38.220 38.460 0.074 0.000 0.975 54 Y HN 0.229 nan 8.280 nan 0.000 0.498 55 N N -0.160 118.568 118.700 0.047 0.000 2.459 55 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 55 N C 1.778 177.283 175.510 -0.010 0.000 1.046 55 N CA 1.101 54.135 53.050 -0.026 0.000 0.904 55 N CB -0.027 38.527 38.487 0.112 0.000 0.964 55 N HN 0.296 nan 8.380 nan 0.000 0.444 56 V N 0.474 120.412 119.914 0.040 0.000 2.427 56 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 56 V C 2.373 178.493 176.094 0.043 0.000 1.051 56 V CA 0.981 63.325 62.300 0.072 0.000 1.048 56 V CB -0.252 31.632 31.823 0.102 0.000 0.666 56 V HN 0.032 nan 8.190 nan 0.000 0.456 57 V N -0.378 119.526 119.914 -0.017 0.000 2.307 57 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 57 V C 2.424 178.489 176.094 -0.049 0.000 1.045 57 V CA 1.884 64.166 62.300 -0.029 0.000 1.024 57 V CB -0.291 31.489 31.823 -0.071 0.000 0.651 57 V HN 0.394 nan 8.190 nan 0.000 0.449 58 V N -0.116 119.687 119.914 -0.184 0.000 2.287 58 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 58 V C 2.573 178.671 176.094 0.006 0.000 1.053 58 V CA 2.692 64.927 62.300 -0.108 0.000 1.027 58 V CB -1.032 30.671 31.823 -0.200 0.000 0.646 58 V HN 0.621 nan 8.190 nan 0.000 0.447 59 T N 0.411 114.948 114.554 -0.028 0.000 2.674 59 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 59 T C 2.062 176.729 174.700 -0.055 0.000 1.039 59 T CA 1.754 63.805 62.100 -0.081 0.000 1.150 59 T CB -0.485 68.375 68.868 -0.014 0.000 0.864 59 T HN 0.578 nan 8.240 nan 0.000 0.427 60 A N 1.169 124.061 122.820 0.120 0.000 1.902 60 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 60 A C 2.006 179.695 177.584 0.174 0.000 1.181 60 A CA 2.308 54.484 52.037 0.232 0.000 0.623 60 A CB -1.007 18.132 19.000 0.230 0.000 0.818 60 A HN 0.704 nan 8.150 nan 0.000 0.443 61 H N 0.324 119.415 119.070 0.036 0.000 2.319 61 H HA -0.069 4.487 4.556 -0.000 0.000 0.297 61 H C 2.102 177.405 175.328 -0.041 0.000 1.097 61 H CA 2.348 58.407 56.048 0.017 0.000 1.285 61 H CB -0.407 29.360 29.762 0.008 0.000 1.368 61 H HN 0.369 nan 8.280 nan 0.000 0.495 62 A N -0.016 122.612 122.820 -0.320 0.000 1.877 62 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 62 A C 2.242 179.588 177.584 -0.398 0.000 1.186 62 A CA 1.485 53.183 52.037 -0.565 0.000 0.620 62 A CB -1.086 17.526 19.000 -0.646 0.000 0.822 62 A HN 0.443 nan 8.150 nan 0.000 0.443 63 F N 0.005 119.905 119.950 -0.083 0.000 2.134 63 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 63 F C 2.531 178.238 175.800 -0.155 0.000 1.097 63 F CA 1.093 59.103 58.000 0.016 0.000 1.264 63 F CB -0.963 38.053 39.000 0.027 0.000 1.001 63 F HN 0.022 nan 8.300 nan 0.000 0.479 64 V N -0.366 119.599 119.914 0.086 0.000 2.270 64 V HA -0.311 3.809 4.120 -0.000 0.000 0.245 64 V C 2.521 178.598 176.094 -0.028 0.000 1.043 64 V CA 1.525 63.860 62.300 0.059 0.000 1.014 64 V CB -0.535 31.390 31.823 0.170 0.000 0.645 64 V HN 0.205 nan 8.190 nan 0.000 0.447 65 M N -0.922 118.588 119.600 -0.151 0.000 2.117 65 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 65 M C 2.117 178.281 176.300 -0.228 0.000 1.065 65 M CA 1.961 57.146 55.300 -0.192 0.000 1.114 65 M CB -0.958 31.433 32.600 -0.348 0.000 1.361 65 M HN 0.290 nan 8.290 nan 0.000 0.408 66 I N -1.184 119.171 120.570 -0.359 0.000 2.188 66 I HA -0.237 3.933 4.170 -0.000 0.000 0.237 66 I C 2.044 177.866 176.117 -0.492 0.000 1.073 66 I CA 1.204 62.190 61.300 -0.522 0.000 1.359 66 I CB -0.376 37.117 38.000 -0.846 0.000 1.083 66 I HN 0.045 nan 8.210 nan 0.000 0.412 67 F N -0.394 119.392 119.950 -0.273 0.000 2.416 67 F HA -0.032 4.495 4.527 -0.000 0.000 0.296 67 F C 1.754 177.412 175.800 -0.236 0.000 1.099 67 F CA 0.904 58.690 58.000 -0.356 0.000 1.427 67 F CB -0.178 38.424 39.000 -0.664 0.000 1.079 67 F HN -0.034 nan 8.300 nan 0.000 0.536 68 F N -2.380 117.682 119.950 0.186 0.000 2.717 68 F HA 0.196 4.723 4.527 -0.000 0.000 0.297 68 F C 1.910 177.864 175.800 0.256 0.000 1.113 68 F CA 0.017 58.163 58.000 0.243 0.000 1.319 68 F CB -0.301 38.608 39.000 -0.152 0.000 1.097 68 F HN -0.092 nan 8.300 nan 0.000 0.595 69 M N -0.584 119.176 119.600 0.267 0.000 2.969 69 M HA 0.113 4.593 4.480 -0.000 0.000 0.234 69 M C 2.006 178.405 176.300 0.166 0.000 1.409 69 M CA 1.109 56.534 55.300 0.210 0.000 1.314 69 M CB -0.496 32.175 32.600 0.118 0.000 1.130 69 M HN -0.093 nan 8.290 nan 0.000 0.558 70 V N 1.783 121.733 119.914 0.061 0.000 2.237 70 V HA -0.321 3.799 4.120 -0.000 0.000 0.245 70 V C 2.582 178.716 176.094 0.067 0.000 1.046 70 V CA 2.209 64.532 62.300 0.038 0.000 1.007 70 V CB -0.771 31.012 31.823 -0.067 0.000 0.638 70 V HN 0.499 nan 8.190 nan 0.000 0.445 71 M N -0.569 119.048 119.600 0.029 0.000 2.086 71 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 71 M C -0.044 176.334 176.300 0.130 0.000 1.067 71 M CA 2.325 57.655 55.300 0.051 0.000 1.116 71 M CB -1.542 31.073 32.600 0.026 0.000 1.348 71 M HN 0.288 nan 8.290 nan 0.000 0.407 72 P HA -0.100 nan 4.420 nan 0.000 0.216 72 P C 1.409 178.862 177.300 0.255 0.000 1.153 72 P CA 1.290 64.605 63.100 0.358 0.000 0.848 72 P CB -0.102 31.978 31.700 0.633 0.000 0.787 73 I N -1.913 118.814 120.570 0.261 0.000 2.163 73 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 73 I C 2.444 178.714 176.117 0.254 0.000 1.081 73 I CA 1.692 63.122 61.300 0.218 0.000 1.353 73 I CB -0.510 37.635 38.000 0.242 0.000 1.054 73 I HN -0.082 nan 8.210 nan 0.000 0.407 74 M N 0.108 119.886 119.600 0.297 0.000 2.077 74 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 74 M C 2.291 178.739 176.300 0.247 0.000 1.070 74 M CA 2.105 57.622 55.300 0.362 0.000 1.125 74 M CB -0.249 32.478 32.600 0.212 0.000 1.339 74 M HN 0.172 nan 8.290 nan 0.000 0.409 75 I N -1.163 119.441 120.570 0.057 0.000 2.385 75 I HA -0.019 4.151 4.170 -0.000 0.000 0.244 75 I C 2.596 178.642 176.117 -0.119 0.000 1.089 75 I CA 1.129 62.366 61.300 -0.105 0.000 1.410 75 I CB -0.928 36.986 38.000 -0.144 0.000 1.117 75 I HN 0.297 nan 8.210 nan 0.000 0.429 76 G N 0.451 109.046 108.800 -0.342 0.000 2.403 76 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.216 76 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.216 76 G C 1.571 176.165 174.900 -0.510 0.000 1.154 76 G CA 0.842 45.309 45.100 -1.055 0.000 0.784 76 G HN 0.482 nan 8.290 nan 0.000 0.538 77 G N 0.413 109.126 108.800 -0.144 0.000 2.624 77 G HA2 0.066 4.026 3.960 -0.000 0.000 0.216 77 G HA3 0.066 4.026 3.960 -0.000 0.000 0.216 77 G C 1.512 176.409 174.900 -0.005 0.000 1.274 77 G CA 0.374 45.459 45.100 -0.024 0.000 0.856 77 G HN 0.291 nan 8.290 nan 0.000 0.555 78 F N 1.781 121.814 119.950 0.139 0.000 2.171 78 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 78 F C 2.945 178.875 175.800 0.216 0.000 1.090 78 F CA 0.876 58.929 58.000 0.089 0.000 1.293 78 F CB -0.292 38.697 39.000 -0.017 0.000 1.013 78 F HN 0.240 nan 8.300 nan 0.000 0.486 79 G N -0.071 108.986 108.800 0.428 0.000 2.459 79 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 79 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 79 G C 1.367 176.573 174.900 0.509 0.000 1.183 79 G CA 1.309 46.620 45.100 0.352 0.000 0.776 79 G HN 0.340 nan 8.290 nan 0.000 0.552 80 N N -0.756 118.188 118.700 0.406 0.000 2.120 80 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 80 N C 1.901 177.542 175.510 0.219 0.000 1.024 80 N CA 1.024 54.207 53.050 0.222 0.000 0.852 80 N CB -0.167 38.358 38.487 0.063 0.000 1.003 80 N HN 0.566 nan 8.380 nan 0.000 0.424 81 W N 1.035 122.339 121.300 0.007 0.000 2.378 81 W HA 0.001 4.661 4.660 -0.000 0.000 0.313 81 W C 1.730 178.279 176.519 0.049 0.000 1.197 81 W CA 0.766 58.048 57.345 -0.105 0.000 1.304 81 W CB -0.180 28.951 29.460 -0.548 0.000 1.148 81 W HN 0.020 nan 8.180 nan 0.000 0.494 82 L N -1.406 120.011 121.223 0.324 0.000 2.202 82 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 82 L C 2.084 179.074 176.870 0.200 0.000 1.083 82 L CA 0.252 55.195 54.840 0.172 0.000 0.790 82 L CB -1.279 40.699 42.059 -0.136 0.000 0.942 82 L HN -0.191 nan 8.230 nan 0.000 0.452 83 V N 0.838 120.903 119.914 0.253 0.000 2.255 83 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 83 V C -0.120 175.975 176.094 0.002 0.000 1.051 83 V CA 2.251 64.644 62.300 0.156 0.000 1.018 83 V CB -1.458 30.499 31.823 0.224 0.000 0.641 83 V HN 0.319 nan 8.190 nan 0.000 0.445 84 P HA -0.102 nan 4.420 nan 0.000 0.217 84 P C 1.881 179.069 177.300 -0.187 0.000 1.150 84 P CA 1.320 64.234 63.100 -0.310 0.000 0.832 84 P CB -0.045 31.170 31.700 -0.808 0.000 0.787 85 L N -1.957 119.274 121.223 0.013 0.000 2.056 85 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 85 L C 2.423 179.342 176.870 0.081 0.000 1.078 85 L CA 1.457 56.413 54.840 0.194 0.000 0.749 85 L CB -0.841 41.408 42.059 0.317 0.000 0.901 85 L HN -0.020 nan 8.230 nan 0.000 0.433 86 M N -0.114 119.535 119.600 0.081 0.000 2.460 86 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 86 M C 1.768 178.073 176.300 0.008 0.000 1.071 86 M CA 1.413 56.780 55.300 0.110 0.000 1.096 86 M CB -0.052 32.666 32.600 0.196 0.000 1.408 86 M HN 0.363 nan 8.290 nan 0.000 0.463 87 I N -4.443 116.056 120.570 -0.118 0.000 4.025 87 I HA 0.464 4.634 4.170 -0.000 0.000 0.336 87 I C 0.900 176.801 176.117 -0.360 0.000 1.390 87 I CA 0.007 61.199 61.300 -0.180 0.000 1.099 87 I CB -0.097 37.806 38.000 -0.162 0.000 1.049 87 I HN 0.288 nan 8.210 nan 0.000 0.394 88 G N 2.114 110.517 108.800 -0.662 0.000 2.221 88 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.265 88 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.265 88 G C 0.293 174.595 174.900 -0.996 0.000 1.041 88 G CA 0.201 44.417 45.100 -1.473 0.000 0.807 88 G HN 0.938 nan 8.290 nan 0.000 0.502 89 A N 0.259 122.736 122.820 -0.571 0.000 2.316 89 A HA 0.829 5.149 4.320 -0.000 0.000 0.284 89 A C -0.093 177.411 177.584 -0.133 0.000 1.115 89 A CA -0.876 50.985 52.037 -0.292 0.000 0.812 89 A CB 1.063 19.902 19.000 -0.268 0.000 1.064 89 A HN 0.130 nan 8.150 nan 0.000 0.489 90 P HA -0.015 nan 4.420 nan 0.000 0.225 90 P C 0.056 177.358 177.300 0.002 0.000 1.156 90 P CA 1.122 64.259 63.100 0.062 0.000 0.787 90 P CB 0.381 32.106 31.700 0.041 0.000 0.802 91 D N -2.788 117.526 120.400 -0.143 0.000 3.038 91 D HA 0.109 4.749 4.640 -0.000 0.000 0.351 91 D C -0.693 175.436 176.300 -0.285 0.000 1.442 91 D CA -0.485 53.393 54.000 -0.203 0.000 0.802 91 D CB 0.282 41.052 40.800 -0.050 0.000 1.406 91 D HN -0.326 nan 8.370 nan 0.000 0.488 92 M N 1.011 120.455 119.600 -0.260 0.000 2.227 92 M HA 0.374 4.854 4.480 -0.000 0.000 0.316 92 M C 1.311 177.414 176.300 -0.327 0.000 1.144 92 M CA 0.004 55.113 55.300 -0.318 0.000 1.121 92 M CB 0.546 32.953 32.600 -0.322 0.000 1.440 92 M HN 0.609 nan 8.290 nan 0.000 0.473 93 A N 1.325 123.850 122.820 -0.491 0.000 1.902 93 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 93 A C 0.486 177.657 177.584 -0.689 0.000 1.181 93 A CA 1.603 53.206 52.037 -0.722 0.000 0.623 93 A CB -0.271 18.027 19.000 -1.170 0.000 0.818 93 A HN 0.584 nan 8.150 nan 0.000 0.443 94 F N -0.417 119.474 119.950 -0.099 0.000 2.449 94 F HA 0.335 4.862 4.527 -0.000 0.000 0.344 94 F C -1.788 173.969 175.800 -0.072 0.000 1.180 94 F CA -3.004 54.953 58.000 -0.072 0.000 1.209 94 F CB 0.864 39.827 39.000 -0.061 0.000 1.440 94 F HN 0.071 nan 8.300 nan 0.000 0.526 95 P HA -0.206 nan 4.420 nan 0.000 0.219 95 P C 1.672 178.995 177.300 0.038 0.000 1.146 95 P CA 1.357 64.461 63.100 0.007 0.000 0.808 95 P CB 0.467 32.158 31.700 -0.015 0.000 0.779 96 R N -0.612 119.927 120.500 0.064 0.000 2.090 96 R HA 0.125 4.465 4.340 -0.000 0.000 0.219 96 R C 2.539 178.882 176.300 0.071 0.000 1.100 96 R CA 0.633 56.767 56.100 0.056 0.000 0.991 96 R CB -0.640 29.679 30.300 0.032 0.000 0.893 96 R HN 0.020 nan 8.270 nan 0.000 0.443 97 M N 0.921 120.570 119.600 0.082 0.000 2.213 97 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 97 M C 1.823 178.182 176.300 0.099 0.000 1.062 97 M CA 1.751 57.095 55.300 0.074 0.000 1.105 97 M CB -0.286 32.348 32.600 0.058 0.000 1.385 97 M HN 0.299 nan 8.290 nan 0.000 0.417 98 N N 0.015 118.772 118.700 0.096 0.000 2.149 98 N HA -0.240 4.500 4.740 -0.000 0.000 0.188 98 N C 1.452 177.043 175.510 0.136 0.000 1.019 98 N CA 1.470 54.571 53.050 0.086 0.000 0.857 98 N CB -0.106 38.388 38.487 0.011 0.000 0.997 98 N HN 0.392 nan 8.380 nan 0.000 0.426 99 N N 0.692 119.470 118.700 0.130 0.000 2.270 99 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 99 N C 1.716 177.384 175.510 0.264 0.000 1.016 99 N CA 0.705 53.871 53.050 0.194 0.000 0.870 99 N CB -0.105 38.516 38.487 0.224 0.000 0.979 99 N HN 0.317 nan 8.380 nan 0.000 0.431 100 M N -0.764 118.952 119.600 0.194 0.000 2.254 100 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 100 M C 1.748 178.118 176.300 0.118 0.000 1.066 100 M CA 0.912 56.318 55.300 0.176 0.000 1.123 100 M CB 0.011 32.673 32.600 0.105 0.000 1.388 100 M HN 0.024 nan 8.290 nan 0.000 0.425 101 S N 0.358 116.132 115.700 0.123 0.000 2.383 101 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 101 S C 1.458 176.072 174.600 0.024 0.000 1.030 101 S CA 1.587 59.867 58.200 0.134 0.000 1.002 101 S CB -0.494 62.850 63.200 0.241 0.000 0.829 101 S HN 0.628 nan 8.310 nan 0.000 0.467 102 F N 0.613 120.438 119.950 -0.208 0.000 2.098 102 F HA -0.022 4.505 4.527 -0.000 0.000 0.294 102 F C 1.643 177.057 175.800 -0.643 0.000 1.107 102 F CA 1.113 58.653 58.000 -0.766 0.000 1.234 102 F CB -0.638 37.706 39.000 -1.093 0.000 1.002 102 F HN 0.224 nan 8.300 nan 0.000 0.472 103 W N 0.642 121.743 121.300 -0.332 0.000 2.632 103 W HA -0.072 4.588 4.660 -0.000 0.000 0.248 103 W C 1.871 178.200 176.519 -0.316 0.000 1.259 103 W CA 0.343 57.497 57.345 -0.319 0.000 1.288 103 W CB -0.363 29.084 29.460 -0.022 0.000 1.136 103 W HN 0.085 nan 8.180 nan 0.000 0.640 104 L N -0.470 120.670 121.223 -0.138 0.000 2.418 104 L HA -0.088 4.252 4.340 -0.000 0.000 0.218 104 L C 2.095 178.869 176.870 -0.161 0.000 1.125 104 L CA 0.445 55.238 54.840 -0.078 0.000 0.835 104 L CB -0.375 41.672 42.059 -0.021 0.000 0.953 104 L HN 0.072 nan 8.230 nan 0.000 0.454 105 L N -0.127 120.830 121.223 -0.443 0.000 2.044 105 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 105 L C -0.182 176.508 176.870 -0.300 0.000 1.075 105 L CA 1.277 55.810 54.840 -0.511 0.000 0.747 105 L CB -1.703 39.656 42.059 -1.167 0.000 0.903 105 L HN 0.184 nan 8.230 nan 0.000 0.435 106 P HA -0.110 nan 4.420 nan 0.000 0.215 106 P C -1.356 175.993 177.300 0.081 0.000 1.157 106 P CA 1.596 64.747 63.100 0.086 0.000 0.868 106 P CB -0.896 30.863 31.700 0.097 0.000 0.788 107 P HA -0.139 nan 4.420 nan 0.000 0.216 107 P C 1.910 179.262 177.300 0.087 0.000 1.153 107 P CA 1.687 64.822 63.100 0.058 0.000 0.848 107 P CB -0.455 31.269 31.700 0.040 0.000 0.787 108 S N -1.710 114.043 115.700 0.090 0.000 2.370 108 S HA -0.190 4.280 4.470 -0.000 0.000 0.226 108 S C 1.812 176.531 174.600 0.198 0.000 1.033 108 S CA 1.091 59.392 58.200 0.168 0.000 1.011 108 S CB -1.141 62.214 63.200 0.258 0.000 0.852 108 S HN 0.047 nan 8.310 nan 0.000 0.457 109 F N 0.789 120.611 119.950 -0.213 0.000 2.186 109 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 109 F C 2.031 177.793 175.800 -0.062 0.000 1.090 109 F CA 0.906 58.647 58.000 -0.432 0.000 1.307 109 F CB -0.111 38.560 39.000 -0.549 0.000 1.019 109 F HN 0.297 nan 8.300 nan 0.000 0.489 110 L N 0.650 122.002 121.223 0.215 0.000 2.083 110 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 110 L C 1.893 178.859 176.870 0.160 0.000 1.083 110 L CA 1.718 56.640 54.840 0.136 0.000 0.752 110 L CB -0.769 41.333 42.059 0.071 0.000 0.899 110 L HN 0.152 nan 8.230 nan 0.000 0.433 111 L N -1.246 120.077 121.223 0.165 0.000 2.141 111 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 111 L C 2.485 179.461 176.870 0.178 0.000 1.094 111 L CA 1.260 56.195 54.840 0.158 0.000 0.763 111 L CB -0.524 41.628 42.059 0.155 0.000 0.908 111 L HN 0.377 nan 8.230 nan 0.000 0.437 112 L N -0.435 120.932 121.223 0.240 0.000 2.056 112 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 112 L C 2.370 179.407 176.870 0.278 0.000 1.078 112 L CA 1.302 56.299 54.840 0.261 0.000 0.749 112 L CB -0.030 42.261 42.059 0.386 0.000 0.901 112 L HN 0.157 nan 8.230 nan 0.000 0.433 113 L N -0.318 121.089 121.223 0.308 0.000 2.156 113 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 113 L C 2.820 179.788 176.870 0.164 0.000 1.095 113 L CA 0.857 55.839 54.840 0.238 0.000 0.770 113 L CB -0.837 41.341 42.059 0.199 0.000 0.914 113 L HN 0.349 nan 8.230 nan 0.000 0.439 114 A N 0.357 123.265 122.820 0.147 0.000 1.902 114 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 114 A C 2.561 180.216 177.584 0.118 0.000 1.181 114 A CA 1.994 54.101 52.037 0.116 0.000 0.623 114 A CB -0.768 18.297 19.000 0.108 0.000 0.818 114 A HN 0.496 nan 8.150 nan 0.000 0.443 115 S N 0.540 116.318 115.700 0.131 0.000 2.400 115 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 115 S C 1.986 176.661 174.600 0.126 0.000 1.025 115 S CA 1.964 60.237 58.200 0.121 0.000 0.993 115 S CB -0.804 62.464 63.200 0.114 0.000 0.808 115 S HN 0.982 nan 8.310 nan 0.000 0.478 116 S N 0.254 116.037 115.700 0.138 0.000 2.527 116 S HA 0.239 4.709 4.470 -0.000 0.000 0.222 116 S C 1.797 176.462 174.600 0.108 0.000 0.985 116 S CA 0.190 58.469 58.200 0.131 0.000 0.921 116 S CB -0.310 62.979 63.200 0.148 0.000 0.772 116 S HN 0.409 nan 8.310 nan 0.000 0.529 117 M N 1.928 121.589 119.600 0.101 0.000 2.357 117 M HA 0.232 4.712 4.480 -0.000 0.000 0.266 117 M C 1.045 177.388 176.300 0.073 0.000 1.095 117 M CA 0.540 55.889 55.300 0.082 0.000 1.156 117 M CB -0.473 32.174 32.600 0.078 0.000 1.365 117 M HN 0.400 nan 8.290 nan 0.000 0.447 118 V N -0.481 119.480 119.914 0.078 0.000 2.834 118 V HA 0.307 4.427 4.120 -0.000 0.000 0.301 118 V C 0.794 176.930 176.094 0.071 0.000 1.066 118 V CA -0.967 61.375 62.300 0.070 0.000 1.052 118 V CB 0.887 32.754 31.823 0.073 0.000 1.021 118 V HN 0.542 nan 8.190 nan 0.000 0.480 119 E N 2.400 122.635 120.200 0.059 0.000 3.401 119 E HA -0.341 4.009 4.350 -0.000 0.000 0.352 119 E C 0.907 177.540 176.600 0.054 0.000 1.523 119 E CA 2.039 58.471 56.400 0.052 0.000 1.794 119 E CB -1.611 28.124 29.700 0.058 0.000 1.792 119 E HN 1.547 nan 8.360 nan 0.000 0.471 120 A N 1.457 124.309 122.820 0.054 0.000 2.545 120 A HA 0.515 4.835 4.320 -0.000 0.000 0.277 120 A C 0.880 178.520 177.584 0.095 0.000 1.301 120 A CA 1.437 53.507 52.037 0.055 0.000 0.935 120 A CB -0.176 18.834 19.000 0.017 0.000 1.093 120 A HN 1.378 nan 8.150 nan 0.000 0.519 121 G N -1.048 107.821 108.800 0.116 0.000 2.855 121 G HA2 0.296 4.256 3.960 -0.000 0.000 0.352 121 G HA3 0.296 4.256 3.960 -0.000 0.000 0.352 121 G C 0.084 175.111 174.900 0.211 0.000 1.415 121 G CA -0.305 44.882 45.100 0.145 0.000 0.871 121 G HN 1.767 nan 8.290 nan 0.000 0.543 122 A N 0.291 123.217 122.820 0.178 0.000 2.412 122 A HA 0.742 5.062 4.320 -0.000 0.000 0.334 122 A C 0.814 178.457 177.584 0.099 0.000 1.419 122 A CA 0.774 52.880 52.037 0.114 0.000 0.930 122 A CB 0.429 19.453 19.000 0.040 0.000 1.149 122 A HN 2.302 nan 8.150 nan 0.000 0.515 123 G N 1.600 110.542 108.800 0.237 0.000 3.964 123 G HA2 0.378 4.338 3.960 -0.000 0.000 0.289 123 G HA3 0.378 4.338 3.960 -0.000 0.000 0.289 123 G C 0.680 175.613 174.900 0.056 0.000 1.176 123 G CA 0.479 45.675 45.100 0.159 0.000 1.553 123 G HN 0.772 nan 8.290 nan 0.000 0.588 124 T N -2.404 112.091 114.554 -0.099 0.000 2.985 124 T HA 0.503 4.853 4.350 -0.000 0.000 0.254 124 T C 1.151 175.753 174.700 -0.163 0.000 1.021 124 T CA 0.460 62.456 62.100 -0.174 0.000 0.957 124 T CB 0.674 69.371 68.868 -0.285 0.000 1.047 124 T HN 1.607 nan 8.240 nan 0.000 0.511 125 G N 1.620 110.344 108.800 -0.126 0.000 2.692 125 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 125 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 125 G C 0.227 174.978 174.900 -0.247 0.000 1.243 125 G CA -0.266 44.742 45.100 -0.154 0.000 0.782 125 G HN 0.576 nan 8.290 nan 0.000 0.625 126 W N 0.674 121.671 121.300 -0.505 0.000 2.611 126 W HA -0.044 4.616 4.660 -0.000 0.000 0.251 126 W C 1.523 177.769 176.519 -0.456 0.000 1.265 126 W CA 2.042 58.902 57.345 -0.810 0.000 1.295 126 W CB -1.493 27.418 29.460 -0.915 0.000 1.129 126 W HN 1.081 nan 8.180 nan 0.000 0.630 127 T N -1.018 112.837 114.554 -1.165 0.000 3.055 127 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 127 T C 1.195 175.324 174.700 -0.952 0.000 1.111 127 T CA 0.845 61.925 62.100 -1.700 0.000 1.118 127 T CB -0.830 67.045 68.868 -1.656 0.000 0.909 127 T HN 0.155 nan 8.240 nan 0.000 0.501 128 V N 0.690 120.289 119.914 -0.525 0.000 5.175 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.279 128 V C 0.226 176.066 176.094 -0.424 0.000 0.571 128 V CA 0.356 62.459 62.300 -0.327 0.000 0.694 128 V CB -2.943 28.782 31.823 -0.163 0.000 0.525 128 V HN 0.706 nan 8.190 nan 0.000 1.093 129 Y N 1.841 121.831 120.300 -0.517 0.000 2.511 129 Y HA 0.258 4.808 4.550 -0.000 0.000 0.332 129 Y C -0.906 174.699 175.900 -0.492 0.000 1.177 129 Y CA -1.739 56.020 58.100 -0.568 0.000 1.422 129 Y CB 1.028 39.330 38.460 -0.262 0.000 1.271 129 Y HN 0.276 nan 8.280 nan 0.000 0.550 130 P HA 0.205 nan 4.420 nan 0.000 0.281 130 P C -2.456 174.790 177.300 -0.089 0.000 1.264 130 P CA -2.073 60.891 63.100 -0.227 0.000 0.824 130 P CB 1.388 32.948 31.700 -0.233 0.000 1.092 131 P HA 0.028 nan 4.420 nan 0.000 0.236 131 P C 1.553 178.872 177.300 0.032 0.000 1.177 131 P CA 0.145 63.257 63.100 0.020 0.000 0.773 131 P CB -0.075 31.653 31.700 0.046 0.000 0.878 132 L N 0.499 121.744 121.223 0.038 0.000 2.081 132 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 132 L C 1.938 178.865 176.870 0.094 0.000 1.080 132 L CA 2.062 56.958 54.840 0.093 0.000 0.754 132 L CB -1.319 40.791 42.059 0.086 0.000 0.893 132 L HN -0.065 nan 8.230 nan 0.000 0.433 133 A N -0.923 121.856 122.820 -0.070 0.000 2.238 133 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 133 A C 1.368 178.921 177.584 -0.052 0.000 1.177 133 A CA 0.363 52.303 52.037 -0.161 0.000 0.804 133 A CB -1.287 17.552 19.000 -0.269 0.000 0.823 133 A HN 0.476 nan 8.150 nan 0.000 0.482 134 G N 0.050 108.857 108.800 0.011 0.000 2.653 134 G HA2 0.257 4.217 3.960 -0.000 0.000 0.265 134 G HA3 0.257 4.217 3.960 -0.000 0.000 0.265 134 G C 0.587 175.528 174.900 0.069 0.000 1.237 134 G CA 0.131 45.255 45.100 0.041 0.000 0.946 134 G HN 0.468 nan 8.290 nan 0.000 0.522 135 N N -0.804 117.931 118.700 0.058 0.000 2.521 135 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 135 N C 1.420 176.960 175.510 0.050 0.000 1.146 135 N CA 0.475 53.558 53.050 0.056 0.000 0.893 135 N CB 0.135 38.649 38.487 0.045 0.000 0.975 135 N HN 0.305 nan 8.380 nan 0.000 0.451 136 L N -0.584 120.669 121.223 0.050 0.000 2.349 136 L HA 0.488 4.828 4.340 -0.000 0.000 0.200 136 L C 2.026 178.916 176.870 0.033 0.000 1.064 136 L CA 0.981 55.843 54.840 0.037 0.000 0.821 136 L CB -0.782 41.298 42.059 0.034 0.000 1.027 136 L HN 0.114 nan 8.230 nan 0.000 0.476 137 A N -1.999 120.853 122.820 0.054 0.000 2.123 137 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 137 A C 0.301 177.895 177.584 0.016 0.000 1.152 137 A CA 0.729 52.795 52.037 0.047 0.000 0.728 137 A CB -0.630 18.425 19.000 0.092 0.000 0.814 137 A HN 0.623 nan 8.150 nan 0.000 0.464 138 H N -0.972 118.105 119.070 0.012 0.000 2.597 138 H HA 0.530 5.086 4.556 -0.000 0.000 0.225 138 H C 0.071 175.408 175.328 0.014 0.000 1.422 138 H CA -0.099 55.956 56.048 0.012 0.000 1.335 138 H CB 0.421 30.186 29.762 0.004 0.000 1.783 138 H HN 0.409 nan 8.280 nan 0.000 0.513 139 A N 1.025 123.877 122.820 0.053 0.000 2.445 139 A HA 0.593 4.913 4.320 -0.000 0.000 0.242 139 A C 1.012 178.628 177.584 0.053 0.000 1.075 139 A CA 0.773 52.839 52.037 0.047 0.000 0.777 139 A CB -0.151 18.862 19.000 0.023 0.000 1.013 139 A HN 0.881 nan 8.150 nan 0.000 0.493 140 G N -0.845 107.989 108.800 0.055 0.000 2.541 140 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 140 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 140 G C 0.648 175.590 174.900 0.071 0.000 1.286 140 G CA 0.105 45.240 45.100 0.059 0.000 0.894 140 G HN 1.976 nan 8.290 nan 0.000 0.575 141 A N -0.220 122.645 122.820 0.074 0.000 2.121 141 A HA 0.286 4.606 4.320 -0.000 0.000 0.218 141 A C 2.679 180.313 177.584 0.085 0.000 1.154 141 A CA 2.536 54.624 52.037 0.084 0.000 0.679 141 A CB -0.608 18.447 19.000 0.093 0.000 0.795 141 A HN 1.575 nan 8.150 nan 0.000 0.458 142 S N -0.217 115.539 115.700 0.093 0.000 2.369 142 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 142 S C 1.865 176.501 174.600 0.059 0.000 1.043 142 S CA 1.787 60.046 58.200 0.099 0.000 1.074 142 S CB -0.584 62.700 63.200 0.140 0.000 0.962 142 S HN 0.385 nan 8.310 nan 0.000 0.433 143 V N 2.469 122.405 119.914 0.037 0.000 2.490 143 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 143 V C 1.960 177.995 176.094 -0.099 0.000 1.061 143 V CA 1.643 63.916 62.300 -0.045 0.000 1.064 143 V CB -0.676 31.101 31.823 -0.077 0.000 0.670 143 V HN 0.434 nan 8.190 nan 0.000 0.461 144 D N 0.007 120.359 120.400 -0.080 0.000 2.178 144 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 144 D C 2.137 178.339 176.300 -0.163 0.000 0.974 144 D CA 1.030 54.909 54.000 -0.202 0.000 0.841 144 D CB -0.001 40.743 40.800 -0.093 0.000 0.953 144 D HN 0.359 nan 8.370 nan 0.000 0.478 145 L N 0.734 121.983 121.223 0.043 0.000 2.141 145 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 145 L C 2.516 179.415 176.870 0.049 0.000 1.094 145 L CA 0.959 55.888 54.840 0.148 0.000 0.763 145 L CB -0.447 41.697 42.059 0.142 0.000 0.908 145 L HN -0.015 nan 8.230 nan 0.000 0.437 146 T N 0.039 114.564 114.554 -0.048 0.000 2.777 146 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 146 T C 1.910 176.443 174.700 -0.279 0.000 1.040 146 T CA 1.251 63.258 62.100 -0.155 0.000 1.141 146 T CB -0.140 68.659 68.868 -0.115 0.000 0.868 146 T HN 0.182 nan 8.240 nan 0.000 0.444 147 I N 0.231 120.617 120.570 -0.307 0.000 2.179 147 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 147 I C 1.986 177.860 176.117 -0.405 0.000 1.088 147 I CA 1.318 62.352 61.300 -0.443 0.000 1.357 147 I CB -0.348 37.335 38.000 -0.528 0.000 1.051 147 I HN 0.151 nan 8.210 nan 0.000 0.409 148 F N 0.356 120.242 119.950 -0.107 0.000 2.171 148 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 148 F C 2.926 178.708 175.800 -0.029 0.000 1.090 148 F CA 1.401 59.413 58.000 0.020 0.000 1.293 148 F CB -1.196 37.840 39.000 0.060 0.000 1.013 148 F HN 0.019 nan 8.300 nan 0.000 0.486 149 S N 0.190 115.935 115.700 0.075 0.000 2.356 149 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 149 S C 2.190 176.710 174.600 -0.133 0.000 1.032 149 S CA 1.130 59.337 58.200 0.011 0.000 1.005 149 S CB -0.420 62.762 63.200 -0.030 0.000 0.867 149 S HN 0.342 nan 8.310 nan 0.000 0.449 150 L N 0.141 121.155 121.223 -0.347 0.000 2.083 150 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 150 L C 2.434 179.141 176.870 -0.273 0.000 1.083 150 L CA 1.651 56.189 54.840 -0.504 0.000 0.752 150 L CB -0.691 40.995 42.059 -0.621 0.000 0.899 150 L HN 0.476 nan 8.230 nan 0.000 0.433 151 H N -0.428 118.571 119.070 -0.119 0.000 2.321 151 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 151 H C 2.347 177.661 175.328 -0.023 0.000 1.087 151 H CA 1.239 57.262 56.048 -0.042 0.000 1.319 151 H CB 0.147 29.953 29.762 0.073 0.000 1.379 151 H HN 0.203 nan 8.280 nan 0.000 0.501 152 L N -0.159 121.148 121.223 0.138 0.000 2.056 152 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 152 L C 2.837 179.746 176.870 0.065 0.000 1.078 152 L CA 0.905 55.798 54.840 0.087 0.000 0.749 152 L CB -0.640 41.470 42.059 0.085 0.000 0.901 152 L HN 0.343 nan 8.230 nan 0.000 0.433 153 A N 0.485 123.330 122.820 0.042 0.000 1.972 153 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 153 A C 2.391 180.014 177.584 0.064 0.000 1.169 153 A CA 1.626 53.702 52.037 0.065 0.000 0.635 153 A CB -1.040 17.944 19.000 -0.028 0.000 0.810 153 A HN 0.446 nan 8.150 nan 0.000 0.446 154 G N -0.511 108.294 108.800 0.008 0.000 2.404 154 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 154 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 154 G C 1.504 176.443 174.900 0.066 0.000 1.174 154 G CA 1.190 46.307 45.100 0.029 0.000 0.780 154 G HN 0.300 nan 8.290 nan 0.000 0.537 155 V N 0.980 120.931 119.914 0.061 0.000 2.343 155 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 155 V C 3.056 179.193 176.094 0.073 0.000 1.051 155 V CA 2.228 64.561 62.300 0.055 0.000 1.036 155 V CB -0.467 31.378 31.823 0.037 0.000 0.654 155 V HN 0.505 nan 8.190 nan 0.000 0.451 156 S N -0.174 115.575 115.700 0.081 0.000 2.359 156 S HA -0.245 4.225 4.470 -0.000 0.000 0.223 156 S C 2.201 176.888 174.600 0.144 0.000 1.039 156 S CA 2.385 60.647 58.200 0.104 0.000 1.042 156 S CB -0.351 62.906 63.200 0.094 0.000 0.915 156 S HN 0.602 nan 8.310 nan 0.000 0.439 157 S N 0.794 116.585 115.700 0.151 0.000 2.406 157 S HA 0.127 4.597 4.470 -0.000 0.000 0.228 157 S C 1.749 176.441 174.600 0.153 0.000 1.020 157 S CA 1.127 59.427 58.200 0.167 0.000 0.965 157 S CB -0.368 62.938 63.200 0.178 0.000 0.798 157 S HN 0.525 nan 8.310 nan 0.000 0.488 158 I N 1.280 121.926 120.570 0.126 0.000 2.252 158 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 158 I C 1.889 178.073 176.117 0.111 0.000 1.102 158 I CA 1.036 62.403 61.300 0.112 0.000 1.385 158 I CB -0.236 37.815 38.000 0.084 0.000 1.064 158 I HN 0.237 nan 8.210 nan 0.000 0.414 159 L N 0.050 121.333 121.223 0.101 0.000 2.141 159 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 159 L C 2.636 179.586 176.870 0.132 0.000 1.094 159 L CA 1.318 56.215 54.840 0.095 0.000 0.763 159 L CB -1.131 40.972 42.059 0.073 0.000 0.908 159 L HN 0.307 nan 8.230 nan 0.000 0.437 160 G N -0.169 108.729 108.800 0.163 0.000 2.422 160 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 160 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 160 G C 1.789 176.862 174.900 0.287 0.000 1.146 160 G CA 0.803 46.028 45.100 0.209 0.000 0.769 160 G HN 0.449 nan 8.290 nan 0.000 0.547 161 A N 0.782 123.746 122.820 0.241 0.000 1.898 161 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 161 A C 2.386 180.089 177.584 0.198 0.000 1.181 161 A CA 1.186 53.360 52.037 0.228 0.000 0.620 161 A CB -0.336 18.762 19.000 0.163 0.000 0.819 161 A HN 0.366 nan 8.150 nan 0.000 0.442 162 I N -0.131 120.538 120.570 0.166 0.000 2.226 162 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 162 I C 2.461 178.703 176.117 0.208 0.000 1.100 162 I CA 1.311 62.714 61.300 0.172 0.000 1.374 162 I CB -0.417 37.671 38.000 0.148 0.000 1.057 162 I HN 0.349 nan 8.210 nan 0.000 0.413 163 N N 1.054 119.861 118.700 0.178 0.000 2.084 163 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 163 N C 1.897 177.310 175.510 -0.161 0.000 1.030 163 N CA 1.701 54.765 53.050 0.023 0.000 0.849 163 N CB -0.270 38.172 38.487 -0.077 0.000 1.012 163 N HN 0.215 nan 8.380 nan 0.000 0.423 164 F N 1.074 121.011 119.950 -0.023 0.000 2.102 164 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 164 F C 2.359 178.104 175.800 -0.091 0.000 1.105 164 F CA 0.726 58.682 58.000 -0.074 0.000 1.239 164 F CB -0.204 38.756 39.000 -0.065 0.000 0.991 164 F HN 0.009 nan 8.300 nan 0.000 0.474 165 I N -0.557 120.097 120.570 0.140 0.000 2.163 165 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 165 I C 2.279 178.385 176.117 -0.018 0.000 1.085 165 I CA 1.695 63.025 61.300 0.050 0.000 1.347 165 I CB -0.879 37.161 38.000 0.067 0.000 1.044 165 I HN 0.131 nan 8.210 nan 0.000 0.408 166 T N -0.049 114.488 114.554 -0.029 0.000 2.708 166 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 166 T C 1.911 176.492 174.700 -0.199 0.000 1.037 166 T CA 2.068 64.105 62.100 -0.105 0.000 1.146 166 T CB -0.466 68.321 68.868 -0.134 0.000 0.865 166 T HN 0.369 nan 8.240 nan 0.000 0.435 167 T N 2.195 116.601 114.554 -0.247 0.000 2.684 167 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 167 T C 1.989 176.579 174.700 -0.185 0.000 1.036 167 T CA 1.079 63.026 62.100 -0.256 0.000 1.148 167 T CB -0.450 68.249 68.868 -0.280 0.000 0.863 167 T HN 0.331 nan 8.240 nan 0.000 0.436 168 I N 0.525 121.013 120.570 -0.138 0.000 2.315 168 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 168 I C 2.084 178.086 176.117 -0.191 0.000 1.117 168 I CA 0.801 62.005 61.300 -0.160 0.000 1.404 168 I CB -0.274 37.633 38.000 -0.154 0.000 1.071 168 I HN 0.198 nan 8.210 nan 0.000 0.419 169 I N 0.499 120.973 120.570 -0.160 0.000 2.333 169 I HA -0.193 3.977 4.170 -0.000 0.000 0.246 169 I C 2.062 178.099 176.117 -0.134 0.000 1.106 169 I CA 1.584 62.795 61.300 -0.148 0.000 1.411 169 I CB -1.292 36.648 38.000 -0.101 0.000 1.082 169 I HN 0.275 nan 8.210 nan 0.000 0.420 170 N N 0.157 118.777 118.700 -0.133 0.000 2.356 170 N HA 0.081 4.821 4.740 -0.000 0.000 0.178 170 N C 1.143 176.571 175.510 -0.136 0.000 1.075 170 N CA 0.445 53.420 53.050 -0.124 0.000 0.889 170 N CB 0.225 38.638 38.487 -0.123 0.000 0.999 170 N HN 0.167 nan 8.380 nan 0.000 0.464 171 M N 0.052 119.556 119.600 -0.160 0.000 2.673 171 M HA 0.217 4.697 4.480 -0.000 0.000 0.334 171 M C -0.472 175.730 176.300 -0.164 0.000 1.211 171 M CA -0.178 55.025 55.300 -0.163 0.000 0.962 171 M CB 0.700 33.185 32.600 -0.192 0.000 1.343 171 M HN -0.156 nan 8.290 nan 0.000 0.511 172 K N 0.993 121.301 120.400 -0.152 0.000 2.090 172 K HA 0.479 4.799 4.320 -0.000 0.000 0.250 172 K C -2.452 174.072 176.600 -0.128 0.000 1.004 172 K CA -1.733 54.465 56.287 -0.149 0.000 0.919 172 K CB 0.066 32.480 32.500 -0.143 0.000 1.045 172 K HN -0.147 nan 8.250 nan 0.000 0.471 173 P HA 0.008 nan 4.420 nan 0.000 0.267 173 P C -2.112 175.134 177.300 -0.091 0.000 1.200 173 P CA -0.909 62.131 63.100 -0.101 0.000 0.772 173 P CB 0.118 31.764 31.700 -0.091 0.000 0.855 174 P HA -0.207 nan 4.420 nan 0.000 0.217 174 P C 0.954 178.210 177.300 -0.072 0.000 1.148 174 P CA 1.704 64.758 63.100 -0.076 0.000 0.828 174 P CB -0.192 31.464 31.700 -0.074 0.000 0.783 175 A N -1.654 121.118 122.820 -0.081 0.000 2.123 175 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 175 A C 1.274 178.830 177.584 -0.047 0.000 1.152 175 A CA 0.059 52.056 52.037 -0.067 0.000 0.728 175 A CB -0.884 18.062 19.000 -0.088 0.000 0.814 175 A HN 0.171 nan 8.150 nan 0.000 0.464 176 M N 2.204 121.771 119.600 -0.054 0.000 2.143 176 M HA 0.267 4.747 4.480 -0.000 0.000 0.348 176 M C 0.407 176.677 176.300 -0.051 0.000 1.375 176 M CA -0.216 55.058 55.300 -0.043 0.000 1.124 176 M CB 0.572 33.140 32.600 -0.054 0.000 1.669 176 M HN 0.414 nan 8.290 nan 0.000 0.469 177 S N 3.432 119.119 115.700 -0.023 0.000 2.681 177 S HA 0.166 4.636 4.470 -0.000 0.000 0.270 177 S C 0.633 175.168 174.600 -0.109 0.000 1.209 177 S CA -0.502 57.669 58.200 -0.048 0.000 0.988 177 S CB 1.370 64.588 63.200 0.031 0.000 1.006 177 S HN 0.819 nan 8.310 nan 0.000 0.558 178 Q N -0.365 119.275 119.800 -0.266 0.000 2.226 178 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 178 Q C 0.525 176.475 176.000 -0.083 0.000 0.975 178 Q CA 1.621 57.194 55.803 -0.383 0.000 0.866 178 Q CB -0.583 27.819 28.738 -0.560 0.000 0.915 178 Q HN 0.845 nan 8.270 nan 0.000 0.440 179 Y N -0.839 119.691 120.300 0.383 0.000 2.470 179 Y HA 0.182 4.732 4.550 -0.000 0.000 0.302 179 Y C 0.865 176.949 175.900 0.307 0.000 1.194 179 Y CA 0.211 58.628 58.100 0.529 0.000 1.271 179 Y CB 0.134 38.815 38.460 0.368 0.000 1.092 179 Y HN 0.108 nan 8.280 nan 0.000 0.513 180 Q N -0.450 119.505 119.800 0.258 0.000 2.139 180 Q HA 0.117 4.457 4.340 -0.000 0.000 0.219 180 Q C 0.346 176.421 176.000 0.125 0.000 0.805 180 Q CA -0.145 55.717 55.803 0.100 0.000 1.024 180 Q CB 0.854 29.619 28.738 0.047 0.000 1.163 180 Q HN 0.301 nan 8.270 nan 0.000 0.485 181 T N -2.121 112.572 114.554 0.231 0.000 2.928 181 T HA 0.589 4.939 4.350 -0.000 0.000 0.284 181 T C -2.559 172.397 174.700 0.427 0.000 1.008 181 T CA -2.226 59.980 62.100 0.177 0.000 1.057 181 T CB 1.480 70.301 68.868 -0.079 0.000 1.018 181 T HN -0.227 nan 8.240 nan 0.000 0.493 182 P HA 0.186 nan 4.420 nan 0.000 0.270 182 P C 1.026 178.731 177.300 0.676 0.000 1.223 182 P CA -0.470 62.956 63.100 0.542 0.000 0.785 182 P CB 0.419 32.472 31.700 0.588 0.000 0.923 183 L N 0.587 122.231 121.223 0.701 0.000 2.131 183 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 183 L C 2.122 179.343 176.870 0.585 0.000 1.092 183 L CA 1.340 56.536 54.840 0.593 0.000 0.759 183 L CB -0.617 41.698 42.059 0.427 0.000 0.903 183 L HN 0.383 nan 8.230 nan 0.000 0.435 184 F N 0.292 120.561 119.950 0.531 0.000 2.171 184 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 184 F C 2.209 178.087 175.800 0.130 0.000 1.090 184 F CA 1.300 59.396 58.000 0.160 0.000 1.293 184 F CB -0.277 38.566 39.000 -0.262 0.000 1.013 184 F HN -0.251 nan 8.300 nan 0.000 0.486 185 V N -0.972 118.984 119.914 0.070 0.000 2.343 185 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 185 V C 2.122 178.149 176.094 -0.112 0.000 1.051 185 V CA 2.053 64.289 62.300 -0.107 0.000 1.036 185 V CB -1.096 30.715 31.823 -0.021 0.000 0.654 185 V HN 0.494 nan 8.190 nan 0.000 0.451 186 W N 0.847 122.138 121.300 -0.015 0.000 2.358 186 W HA -0.227 4.433 4.660 -0.000 0.000 0.303 186 W C 3.024 179.502 176.519 -0.068 0.000 1.208 186 W CA 1.894 59.228 57.345 -0.018 0.000 1.274 186 W CB -0.403 29.071 29.460 0.023 0.000 1.138 186 W HN 0.372 nan 8.180 nan 0.000 0.515 187 S N -0.517 115.279 115.700 0.161 0.000 2.382 187 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 187 S C 1.685 176.199 174.600 -0.143 0.000 1.027 187 S CA 1.553 59.779 58.200 0.043 0.000 0.991 187 S CB -0.983 62.263 63.200 0.076 0.000 0.823 187 S HN 0.062 nan 8.310 nan 0.000 0.469 188 V N 1.815 121.502 119.914 -0.378 0.000 2.453 188 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 188 V C 2.596 178.521 176.094 -0.281 0.000 1.048 188 V CA 2.021 64.024 62.300 -0.495 0.000 1.049 188 V CB -0.708 30.634 31.823 -0.803 0.000 0.672 188 V HN 0.597 nan 8.190 nan 0.000 0.457 189 M N -0.366 119.141 119.600 -0.156 0.000 2.132 189 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 189 M C 2.071 178.386 176.300 0.024 0.000 1.065 189 M CA 2.032 57.297 55.300 -0.058 0.000 1.122 189 M CB -0.202 32.348 32.600 -0.084 0.000 1.365 189 M HN 0.235 nan 8.290 nan 0.000 0.411 190 I N -0.333 120.287 120.570 0.085 0.000 2.226 190 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 190 I C 2.137 178.304 176.117 0.084 0.000 1.100 190 I CA 1.540 62.916 61.300 0.127 0.000 1.374 190 I CB -0.745 37.355 38.000 0.167 0.000 1.057 190 I HN 0.338 nan 8.210 nan 0.000 0.413 191 T N 0.762 115.326 114.554 0.017 0.000 2.720 191 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 191 T C 2.062 176.767 174.700 0.010 0.000 1.037 191 T CA 1.518 63.611 62.100 -0.011 0.000 1.144 191 T CB -0.318 68.492 68.868 -0.096 0.000 0.864 191 T HN 0.491 nan 8.240 nan 0.000 0.444 192 A N 0.844 123.659 122.820 -0.009 0.000 1.933 192 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 192 A C 2.576 180.220 177.584 0.100 0.000 1.175 192 A CA 1.286 53.354 52.037 0.051 0.000 0.628 192 A CB -0.949 18.094 19.000 0.072 0.000 0.814 192 A HN 0.364 nan 8.150 nan 0.000 0.444 193 V N 0.381 120.359 119.914 0.106 0.000 2.343 193 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 193 V C 2.548 178.760 176.094 0.196 0.000 1.051 193 V CA 1.813 64.193 62.300 0.134 0.000 1.036 193 V CB -0.722 31.179 31.823 0.131 0.000 0.654 193 V HN 0.566 nan 8.190 nan 0.000 0.451 194 L N -0.835 120.522 121.223 0.223 0.000 2.046 194 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 194 L C 2.452 179.472 176.870 0.250 0.000 1.077 194 L CA 1.593 56.617 54.840 0.307 0.000 0.747 194 L CB -0.666 41.477 42.059 0.139 0.000 0.896 194 L HN 0.320 nan 8.230 nan 0.000 0.432 195 L N -0.541 120.781 121.223 0.166 0.000 2.046 195 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 195 L C 2.601 179.586 176.870 0.191 0.000 1.077 195 L CA 0.906 55.849 54.840 0.172 0.000 0.747 195 L CB -0.406 41.736 42.059 0.138 0.000 0.896 195 L HN 0.218 nan 8.230 nan 0.000 0.432 196 L N -0.504 120.821 121.223 0.170 0.000 2.083 196 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 196 L C 2.184 179.148 176.870 0.157 0.000 1.083 196 L CA 1.779 56.706 54.840 0.145 0.000 0.752 196 L CB -0.181 41.950 42.059 0.119 0.000 0.899 196 L HN 0.134 nan 8.230 nan 0.000 0.433 197 L N -1.790 119.557 121.223 0.207 0.000 2.249 197 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 197 L C 2.508 179.590 176.870 0.353 0.000 1.090 197 L CA 0.921 55.891 54.840 0.217 0.000 0.802 197 L CB -0.572 41.541 42.059 0.090 0.000 0.947 197 L HN 0.379 nan 8.230 nan 0.000 0.453 198 S N -0.097 115.856 115.700 0.421 0.000 2.388 198 S HA -0.026 4.444 4.470 -0.000 0.000 0.223 198 S C 1.965 176.794 174.600 0.381 0.000 1.034 198 S CA 0.283 58.729 58.200 0.410 0.000 0.963 198 S CB -0.601 62.727 63.200 0.213 0.000 0.827 198 S HN 0.264 nan 8.310 nan 0.000 0.481 199 L N 1.774 123.185 121.223 0.312 0.000 2.079 199 L HA -0.000 4.340 4.340 -0.000 0.000 0.210 199 L C -0.774 176.110 176.870 0.022 0.000 1.081 199 L CA 1.204 56.116 54.840 0.119 0.000 0.752 199 L CB -1.406 40.721 42.059 0.113 0.000 0.896 199 L HN 0.296 nan 8.230 nan 0.000 0.433 200 P HA -0.103 nan 4.420 nan 0.000 0.221 200 P C 1.815 179.121 177.300 0.009 0.000 1.150 200 P CA 0.918 64.039 63.100 0.035 0.000 0.800 200 P CB 0.153 31.883 31.700 0.050 0.000 0.787 201 V N -0.453 119.492 119.914 0.051 0.000 2.379 201 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 201 V C 2.315 178.364 176.094 -0.075 0.000 1.044 201 V CA 1.326 63.634 62.300 0.013 0.000 1.036 201 V CB -1.174 30.733 31.823 0.141 0.000 0.664 201 V HN 0.063 nan 8.190 nan 0.000 0.453 202 L N 1.211 122.346 121.223 -0.147 0.000 2.046 202 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 202 L C 2.466 179.184 176.870 -0.253 0.000 1.077 202 L CA 2.414 57.032 54.840 -0.370 0.000 0.747 202 L CB -0.907 40.598 42.059 -0.924 0.000 0.896 202 L HN 0.206 nan 8.230 nan 0.000 0.432 203 A N -0.324 122.398 122.820 -0.162 0.000 1.908 203 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 203 A C 2.472 180.060 177.584 0.007 0.000 1.181 203 A CA 2.060 54.081 52.037 -0.026 0.000 0.627 203 A CB -1.270 17.754 19.000 0.041 0.000 0.818 203 A HN 0.629 nan 8.150 nan 0.000 0.445 204 A N -0.500 122.294 122.820 -0.043 0.000 1.858 204 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 204 A C 2.480 180.022 177.584 -0.070 0.000 1.190 204 A CA 2.080 54.080 52.037 -0.063 0.000 0.617 204 A CB -1.526 17.420 19.000 -0.090 0.000 0.827 204 A HN 0.780 nan 8.150 nan 0.000 0.443 205 G N 0.709 109.462 108.800 -0.079 0.000 2.446 205 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 205 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 205 G C 1.528 176.490 174.900 0.104 0.000 1.168 205 G CA 1.347 46.431 45.100 -0.026 0.000 0.771 205 G HN 0.884 nan 8.290 nan 0.000 0.551 206 I N -1.714 118.866 120.570 0.017 0.000 2.676 206 I HA 0.015 4.185 4.170 -0.000 0.000 0.259 206 I C 2.280 178.409 176.117 0.021 0.000 1.194 206 I CA 1.541 62.855 61.300 0.025 0.000 1.473 206 I CB -0.628 37.264 38.000 -0.180 0.000 1.096 206 I HN -0.062 nan 8.210 nan 0.000 0.443 207 T N 1.440 116.034 114.554 0.067 0.000 2.857 207 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 207 T C 1.907 176.637 174.700 0.051 0.000 1.048 207 T CA 1.582 63.748 62.100 0.110 0.000 1.139 207 T CB -0.166 68.769 68.868 0.113 0.000 0.874 207 T HN 0.332 nan 8.240 nan 0.000 0.455 208 M N 0.295 119.887 119.600 -0.012 0.000 2.175 208 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 208 M C 2.175 178.590 176.300 0.191 0.000 1.063 208 M CA 1.038 56.255 55.300 -0.138 0.000 1.119 208 M CB -0.341 31.901 32.600 -0.596 0.000 1.377 208 M HN 0.166 nan 8.290 nan 0.000 0.415 209 L N 0.483 121.936 121.223 0.383 0.000 2.056 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 209 L C 2.129 179.083 176.870 0.140 0.000 1.078 209 L CA 1.535 56.586 54.840 0.351 0.000 0.749 209 L CB -0.684 41.498 42.059 0.205 0.000 0.901 209 L HN 0.201 nan 8.230 nan 0.000 0.433 210 L N -0.688 120.573 121.223 0.064 0.000 2.046 210 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 210 L C 2.560 179.465 176.870 0.058 0.000 1.077 210 L CA 2.464 57.303 54.840 -0.002 0.000 0.747 210 L CB -0.925 41.103 42.059 -0.052 0.000 0.896 210 L HN 0.610 nan 8.230 nan 0.000 0.432 211 T N -4.795 109.824 114.554 0.108 0.000 2.857 211 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 211 T C 1.647 176.411 174.700 0.108 0.000 1.048 211 T CA 1.139 63.314 62.100 0.124 0.000 1.139 211 T CB -0.588 68.392 68.868 0.187 0.000 0.874 211 T HN 0.260 nan 8.240 nan 0.000 0.455 212 D N 1.296 121.777 120.400 0.135 0.000 2.144 212 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 212 D C 2.463 178.805 176.300 0.069 0.000 0.984 212 D CA 0.854 54.910 54.000 0.093 0.000 0.834 212 D CB -0.160 40.726 40.800 0.144 0.000 0.955 212 D HN 0.425 nan 8.370 nan 0.000 0.465 213 R N -0.297 120.244 120.500 0.069 0.000 2.153 213 R HA 0.126 4.466 4.340 -0.000 0.000 0.218 213 R C 1.119 177.444 176.300 0.042 0.000 1.072 213 R CA 0.759 56.887 56.100 0.047 0.000 0.990 213 R CB 0.180 30.497 30.300 0.028 0.000 0.889 213 R HN 0.179 nan 8.270 nan 0.000 0.452 214 N N -0.895 117.833 118.700 0.047 0.000 2.211 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.216 214 N C 0.692 176.229 175.510 0.045 0.000 1.240 214 N CA 0.256 53.335 53.050 0.049 0.000 0.895 214 N CB 1.156 39.680 38.487 0.063 0.000 1.102 214 N HN 0.095 nan 8.380 nan 0.000 0.498 215 L N 0.831 122.080 121.223 0.043 0.000 2.959 215 L HA 0.285 4.625 4.340 -0.000 0.000 0.259 215 L C -0.199 176.676 176.870 0.008 0.000 1.185 215 L CA -0.036 54.823 54.840 0.032 0.000 0.998 215 L CB 0.048 42.134 42.059 0.045 0.000 1.337 215 L HN -0.059 nan 8.230 nan 0.000 0.555 216 N N 0.754 119.456 118.700 0.003 0.000 2.747 216 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 216 N C 0.509 175.980 175.510 -0.065 0.000 1.107 216 N CA 1.344 54.381 53.050 -0.021 0.000 0.707 216 N CB -1.365 37.111 38.487 -0.019 0.000 1.054 216 N HN 0.557 nan 8.380 nan 0.000 0.555 217 T N -2.682 111.825 114.554 -0.079 0.000 2.816 217 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 217 T C 1.112 175.675 174.700 -0.227 0.000 0.993 217 T CA 0.238 62.207 62.100 -0.218 0.000 0.994 217 T CB 1.740 70.460 68.868 -0.246 0.000 1.025 217 T HN 0.253 nan 8.240 nan 0.000 0.529 218 T N -1.630 112.686 114.554 -0.398 0.000 3.823 218 T HA 0.324 4.674 4.350 -0.000 0.000 0.261 218 T C 0.540 175.053 174.700 -0.312 0.000 0.983 218 T CA -0.674 61.275 62.100 -0.253 0.000 1.151 218 T CB -1.013 67.759 68.868 -0.159 0.000 1.062 218 T HN 0.467 nan 8.240 nan 0.000 0.542 219 F N 0.704 120.440 119.950 -0.357 0.000 2.161 219 F HA 0.104 4.631 4.527 -0.000 0.000 0.300 219 F C 1.217 176.717 175.800 -0.500 0.000 1.089 219 F CA 1.129 58.779 58.000 -0.583 0.000 1.282 219 F CB -0.261 38.067 39.000 -1.121 0.000 1.010 219 F HN 0.377 nan 8.300 nan 0.000 0.485 220 F N -1.638 118.442 119.950 0.215 0.000 2.683 220 F HA 0.227 4.754 4.527 -0.000 0.000 0.306 220 F C 0.003 175.843 175.800 0.068 0.000 1.102 220 F CA -0.937 57.142 58.000 0.132 0.000 1.244 220 F CB -0.239 38.830 39.000 0.115 0.000 1.029 220 F HN -0.283 nan 8.300 nan 0.000 0.545 221 D N 1.495 121.979 120.400 0.140 0.000 2.392 221 D HA 0.280 4.920 4.640 -0.000 0.000 0.228 221 D C -1.995 174.337 176.300 0.052 0.000 1.074 221 D CA -2.528 51.522 54.000 0.083 0.000 0.838 221 D CB 2.077 42.901 40.800 0.039 0.000 1.067 221 D HN -0.118 nan 8.370 nan 0.000 0.511 222 P HA -0.134 nan 4.420 nan 0.000 0.217 222 P C 1.011 178.326 177.300 0.024 0.000 1.148 222 P CA 1.276 64.404 63.100 0.046 0.000 0.828 222 P CB 0.243 31.973 31.700 0.050 0.000 0.783 223 A N -0.319 122.512 122.820 0.019 0.000 1.978 223 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 223 A C 2.212 179.790 177.584 -0.009 0.000 1.170 223 A CA 1.979 54.020 52.037 0.006 0.000 0.636 223 A CB -1.598 17.405 19.000 0.006 0.000 0.810 223 A HN 0.331 nan 8.150 nan 0.000 0.448 224 G N -2.717 106.069 108.800 -0.022 0.000 3.337 224 G HA2 0.412 4.372 3.960 -0.000 0.000 0.246 224 G HA3 0.412 4.372 3.960 -0.000 0.000 0.246 224 G C 0.992 175.863 174.900 -0.048 0.000 1.131 224 G CA 0.466 45.537 45.100 -0.048 0.000 0.773 224 G HN 1.599 nan 8.290 nan 0.000 0.544 225 G N -1.099 107.690 108.800 -0.018 0.000 2.157 225 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.239 225 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.239 225 G C 0.789 175.694 174.900 0.009 0.000 0.982 225 G CA 0.176 45.273 45.100 -0.005 0.000 0.650 225 G HN 0.977 nan 8.290 nan 0.000 0.527 226 G N -0.884 107.922 108.800 0.010 0.000 2.588 226 G HA2 0.510 4.470 3.960 -0.000 0.000 0.278 226 G HA3 0.510 4.470 3.960 -0.000 0.000 0.278 226 G C -0.752 174.219 174.900 0.119 0.000 1.307 226 G CA 0.560 45.692 45.100 0.053 0.000 1.016 226 G HN 0.470 nan 8.290 nan 0.000 0.503 227 D N -1.505 119.020 120.400 0.208 0.000 2.890 227 D HA 0.342 4.982 4.640 -0.000 0.000 0.233 227 D C -2.073 174.402 176.300 0.292 0.000 1.306 227 D CA -1.626 52.502 54.000 0.213 0.000 0.929 227 D CB 2.254 43.171 40.800 0.194 0.000 1.512 227 D HN -0.053 nan 8.370 nan 0.000 0.568 228 P HA -0.043 nan 4.420 nan 0.000 0.218 228 P C 1.556 178.845 177.300 -0.019 0.000 1.149 228 P CA 0.442 63.588 63.100 0.077 0.000 0.817 228 P CB 0.338 32.049 31.700 0.018 0.000 0.785 229 I N -1.230 119.354 120.570 0.023 0.000 2.493 229 I HA -0.143 4.027 4.170 -0.000 0.000 0.254 229 I C 2.099 178.241 176.117 0.043 0.000 1.160 229 I CA 0.945 62.225 61.300 -0.033 0.000 1.445 229 I CB -1.640 36.370 38.000 0.017 0.000 1.086 229 I HN 0.008 nan 8.210 nan 0.000 0.433 230 L N 0.697 122.046 121.223 0.211 0.000 2.046 230 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 230 L C 2.623 179.598 176.870 0.174 0.000 1.077 230 L CA 1.843 56.875 54.840 0.319 0.000 0.747 230 L CB -1.198 41.131 42.059 0.450 0.000 0.896 230 L HN 0.247 nan 8.230 nan 0.000 0.432 231 Y N 0.293 120.447 120.300 -0.243 0.000 2.165 231 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 231 Y C 2.559 178.270 175.900 -0.315 0.000 1.155 231 Y CA 2.268 59.974 58.100 -0.655 0.000 1.164 231 Y CB -0.267 37.395 38.460 -1.329 0.000 0.978 231 Y HN 0.408 nan 8.280 nan 0.000 0.513 232 Q N -1.128 118.539 119.800 -0.223 0.000 2.096 232 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 232 Q C 2.049 178.083 176.000 0.056 0.000 0.982 232 Q CA 1.551 57.250 55.803 -0.174 0.000 0.850 232 Q CB -0.346 28.220 28.738 -0.287 0.000 0.901 232 Q HN 0.617 nan 8.270 nan 0.000 0.422 233 H N 0.502 119.649 119.070 0.128 0.000 2.321 233 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 233 H C 2.211 177.516 175.328 -0.039 0.000 1.087 233 H CA 1.158 57.327 56.048 0.201 0.000 1.319 233 H CB -0.171 29.715 29.762 0.206 0.000 1.379 233 H HN 0.210 nan 8.280 nan 0.000 0.501 234 L N -0.601 120.615 121.223 -0.011 0.000 2.056 234 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 234 L C 2.523 179.271 176.870 -0.202 0.000 1.078 234 L CA 1.019 55.773 54.840 -0.142 0.000 0.749 234 L CB -0.532 41.421 42.059 -0.177 0.000 0.901 234 L HN 0.100 nan 8.230 nan 0.000 0.433 235 F N -0.156 119.489 119.950 -0.508 0.000 2.084 235 F HA -0.220 4.307 4.527 -0.000 0.000 0.296 235 F C 2.048 177.625 175.800 -0.372 0.000 1.111 235 F CA 1.506 59.158 58.000 -0.579 0.000 1.224 235 F CB -0.384 38.061 39.000 -0.925 0.000 0.991 235 F HN -0.043 nan 8.300 nan 0.000 0.471 236 W N -1.045 120.309 121.300 0.091 0.000 2.465 236 W HA -0.118 4.542 4.660 -0.000 0.000 0.268 236 W C 2.236 178.728 176.519 -0.045 0.000 1.242 236 W CA 0.535 57.909 57.345 0.049 0.000 1.248 236 W CB -0.644 28.982 29.460 0.277 0.000 1.118 236 W HN 0.096 nan 8.180 nan 0.000 0.587 237 F N -0.086 119.775 119.950 -0.148 0.000 2.216 237 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 237 F C 2.172 177.890 175.800 -0.136 0.000 1.085 237 F CA 1.699 59.495 58.000 -0.340 0.000 1.326 237 F CB -0.447 38.224 39.000 -0.550 0.000 1.027 237 F HN -0.029 nan 8.300 nan 0.000 0.497 238 F N 0.224 120.021 119.950 -0.256 0.000 2.220 238 F HA 0.209 4.736 4.527 -0.000 0.000 0.290 238 F C 2.292 177.858 175.800 -0.389 0.000 1.080 238 F CA 1.338 59.140 58.000 -0.331 0.000 1.318 238 F CB -1.225 37.541 39.000 -0.390 0.000 1.063 238 F HN -0.113 nan 8.300 nan 0.000 0.498 239 G N -0.427 107.847 108.800 -0.877 0.000 2.505 239 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 239 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 239 G C 1.492 176.181 174.900 -0.352 0.000 1.145 239 G CA 1.555 46.196 45.100 -0.765 0.000 0.761 239 G HN 0.569 nan 8.290 nan 0.000 0.571 240 H N 1.634 120.665 119.070 -0.064 0.000 2.333 240 H HA 0.027 4.583 4.556 -0.000 0.000 0.302 240 H C 0.225 175.488 175.328 -0.109 0.000 1.075 240 H CA 1.429 57.499 56.048 0.036 0.000 1.348 240 H CB -0.629 29.237 29.762 0.174 0.000 1.393 240 H HN 0.280 nan 8.280 nan 0.000 0.509 241 P HA -0.163 nan 4.420 nan 0.000 0.216 241 P C 1.245 178.265 177.300 -0.467 0.000 1.150 241 P CA 1.940 64.734 63.100 -0.509 0.000 0.843 241 P CB 0.033 31.201 31.700 -0.887 0.000 0.787 242 E N 0.034 119.809 120.200 -0.708 0.000 2.118 242 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 242 E C 1.714 178.022 176.600 -0.486 0.000 0.992 242 E CA 1.580 57.587 56.400 -0.655 0.000 0.804 242 E CB -1.193 27.926 29.700 -0.969 0.000 0.741 242 E HN 0.136 nan 8.360 nan 0.000 0.458 243 V N -1.263 118.314 119.914 -0.561 0.000 2.515 243 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 243 V C 1.845 177.559 176.094 -0.634 0.000 1.058 243 V CA 1.628 63.576 62.300 -0.586 0.000 1.064 243 V CB -1.047 30.409 31.823 -0.612 0.000 0.675 243 V HN 0.233 nan 8.190 nan 0.000 0.461 244 Y N 0.291 120.417 120.300 -0.289 0.000 2.395 244 Y HA 0.213 4.763 4.550 -0.000 0.000 0.293 244 Y C 2.324 178.110 175.900 -0.191 0.000 1.123 244 Y CA 1.330 59.327 58.100 -0.172 0.000 1.227 244 Y CB -0.401 38.009 38.460 -0.084 0.000 1.012 244 Y HN 0.197 nan 8.280 nan 0.000 0.552 245 I N -0.596 119.895 120.570 -0.131 0.000 2.394 245 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 245 I C 1.812 177.832 176.117 -0.160 0.000 1.136 245 I CA 1.230 62.456 61.300 -0.123 0.000 1.425 245 I CB -0.249 37.670 38.000 -0.136 0.000 1.079 245 I HN 0.210 nan 8.210 nan 0.000 0.425 246 L N -0.479 120.607 121.223 -0.228 0.000 2.217 246 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 246 L C 2.247 179.002 176.870 -0.193 0.000 1.107 246 L CA 0.810 55.520 54.840 -0.217 0.000 0.783 246 L CB -0.094 41.796 42.059 -0.283 0.000 0.919 246 L HN 0.234 nan 8.230 nan 0.000 0.442 247 I N -1.117 119.294 120.570 -0.265 0.000 3.526 247 I HA -0.049 4.121 4.170 -0.000 0.000 0.294 247 I C 2.014 177.796 176.117 -0.559 0.000 1.229 247 I CA 0.775 61.841 61.300 -0.389 0.000 1.408 247 I CB 0.193 37.890 38.000 -0.505 0.000 1.127 247 I HN 0.011 nan 8.210 nan 0.000 0.439 248 L N 1.265 122.271 121.223 -0.362 0.000 1.990 248 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 248 L C -0.434 176.425 176.870 -0.018 0.000 1.072 248 L CA 1.870 56.607 54.840 -0.172 0.000 0.755 248 L CB -1.807 40.247 42.059 -0.009 0.000 0.889 248 L HN 0.194 nan 8.230 nan 0.000 0.432 249 P HA -0.106 nan 4.420 nan 0.000 0.220 249 P C 1.472 178.886 177.300 0.189 0.000 1.148 249 P CA 1.508 64.665 63.100 0.095 0.000 0.803 249 P CB -0.138 31.611 31.700 0.081 0.000 0.782 250 G N -1.182 107.641 108.800 0.038 0.000 2.404 250 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 250 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 250 G C 1.446 176.335 174.900 -0.017 0.000 1.174 250 G CA 0.244 45.328 45.100 -0.027 0.000 0.780 250 G HN 0.226 nan 8.290 nan 0.000 0.537 251 F N 1.330 121.281 119.950 0.003 0.000 2.126 251 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 251 F C 3.011 178.953 175.800 0.236 0.000 1.096 251 F CA 0.334 58.427 58.000 0.154 0.000 1.255 251 F CB -0.145 39.028 39.000 0.288 0.000 0.997 251 F HN 0.274 nan 8.300 nan 0.000 0.479 252 G N 0.232 109.307 108.800 0.459 0.000 2.421 252 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 252 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 252 G C 1.578 176.775 174.900 0.495 0.000 1.171 252 G CA 0.742 46.154 45.100 0.520 0.000 0.775 252 G HN 0.216 nan 8.290 nan 0.000 0.543 253 M N 0.109 119.889 119.600 0.301 0.000 2.175 253 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 253 M C 2.450 178.757 176.300 0.012 0.000 1.063 253 M CA 0.818 56.166 55.300 0.081 0.000 1.119 253 M CB -0.285 32.245 32.600 -0.115 0.000 1.377 253 M HN 0.105 nan 8.290 nan 0.000 0.415 254 I N -0.028 120.440 120.570 -0.170 0.000 2.226 254 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 254 I C 2.441 178.403 176.117 -0.257 0.000 1.100 254 I CA 1.458 62.482 61.300 -0.461 0.000 1.374 254 I CB -1.290 36.029 38.000 -1.136 0.000 1.057 254 I HN 0.230 nan 8.210 nan 0.000 0.413 255 S N -0.479 115.295 115.700 0.124 0.000 2.370 255 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 255 S C 1.890 176.648 174.600 0.263 0.000 1.033 255 S CA 1.081 59.508 58.200 0.378 0.000 1.011 255 S CB -0.433 63.102 63.200 0.559 0.000 0.852 255 S HN 0.510 nan 8.310 nan 0.000 0.457 256 H N 0.226 119.398 119.070 0.171 0.000 2.363 256 H HA 0.079 4.635 4.556 -0.000 0.000 0.301 256 H C 2.150 177.447 175.328 -0.052 0.000 1.074 256 H CA 1.284 57.423 56.048 0.151 0.000 1.354 256 H CB -0.127 29.811 29.762 0.293 0.000 1.397 256 H HN 0.342 nan 8.280 nan 0.000 0.516 257 I N 0.309 120.841 120.570 -0.064 0.000 2.202 257 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 257 I C 2.511 178.614 176.117 -0.023 0.000 1.091 257 I CA 0.726 61.899 61.300 -0.212 0.000 1.368 257 I CB -0.153 37.713 38.000 -0.223 0.000 1.058 257 I HN 0.008 nan 8.210 nan 0.000 0.410 258 V N 0.434 120.326 119.914 -0.036 0.000 2.343 258 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 258 V C 2.498 178.615 176.094 0.039 0.000 1.051 258 V CA 2.417 64.718 62.300 0.000 0.000 1.036 258 V CB -0.867 30.941 31.823 -0.025 0.000 0.654 258 V HN 0.470 nan 8.190 nan 0.000 0.451 259 T N -1.151 113.438 114.554 0.057 0.000 2.708 259 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 259 T C 1.731 176.410 174.700 -0.035 0.000 1.037 259 T CA 2.090 64.216 62.100 0.044 0.000 1.146 259 T CB -0.362 68.542 68.868 0.061 0.000 0.865 259 T HN 0.549 nan 8.240 nan 0.000 0.435 260 Y N 0.704 120.882 120.300 -0.203 0.000 2.114 260 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 260 Y C 1.830 177.449 175.900 -0.469 0.000 1.143 260 Y CA 1.418 59.287 58.100 -0.385 0.000 1.135 260 Y CB -0.348 37.735 38.460 -0.629 0.000 0.980 260 Y HN 0.248 nan 8.280 nan 0.000 0.499 261 Y N -1.065 119.248 120.300 0.021 0.000 2.578 261 Y HA 0.006 4.556 4.550 -0.000 0.000 0.297 261 Y C 2.179 177.986 175.900 -0.156 0.000 1.176 261 Y CA 0.842 58.898 58.100 -0.072 0.000 1.315 261 Y CB -0.213 38.196 38.460 -0.084 0.000 1.031 261 Y HN 0.024 nan 8.280 nan 0.000 0.524 262 S N -1.006 114.660 115.700 -0.058 0.000 2.575 262 S HA 0.201 4.671 4.470 -0.000 0.000 0.215 262 S C 1.733 176.270 174.600 -0.105 0.000 0.966 262 S CA 0.563 58.719 58.200 -0.074 0.000 0.911 262 S CB -0.136 63.045 63.200 -0.031 0.000 0.780 262 S HN 0.651 nan 8.310 nan 0.000 0.514 263 G N 1.702 110.394 108.800 -0.180 0.000 2.198 263 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 263 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 263 G C -0.090 174.716 174.900 -0.156 0.000 1.025 263 G CA 0.272 45.245 45.100 -0.212 0.000 0.769 263 G HN 0.370 nan 8.290 nan 0.000 0.507 264 K N -0.218 120.106 120.400 -0.127 0.000 2.110 264 K HA 0.562 4.882 4.320 -0.000 0.000 0.263 264 K C 1.472 178.033 176.600 -0.065 0.000 0.975 264 K CA -0.254 55.997 56.287 -0.061 0.000 0.895 264 K CB 0.938 33.438 32.500 -0.000 0.000 1.060 264 K HN 0.280 nan 8.250 nan 0.000 0.448 265 K N 1.194 121.575 120.400 -0.032 0.000 2.400 265 K HA 0.035 4.355 4.320 -0.000 0.000 0.194 265 K C -0.358 176.250 176.600 0.013 0.000 1.033 265 K CA 0.520 56.796 56.287 -0.018 0.000 1.021 265 K CB 0.178 32.670 32.500 -0.012 0.000 0.808 265 K HN 0.634 nan 8.250 nan 0.000 0.505 266 E N 0.555 120.774 120.200 0.032 0.000 2.401 266 E HA 0.327 4.677 4.350 -0.000 0.000 0.280 266 E C -3.100 173.564 176.600 0.108 0.000 1.039 266 E CA -2.341 54.096 56.400 0.062 0.000 0.814 266 E CB 1.568 31.294 29.700 0.043 0.000 1.275 266 E HN -0.174 nan 8.360 nan 0.000 0.448 267 P HA 0.130 nan 4.420 nan 0.000 0.277 267 P C -0.669 176.773 177.300 0.236 0.000 1.240 267 P CA -0.402 62.831 63.100 0.222 0.000 0.798 267 P CB 0.491 32.342 31.700 0.252 0.000 0.979 268 F N 1.818 121.843 119.950 0.125 0.000 2.529 268 F HA 0.352 4.879 4.527 -0.000 0.000 0.365 268 F C 1.337 177.190 175.800 0.087 0.000 1.102 268 F CA 1.185 59.245 58.000 0.100 0.000 1.271 268 F CB -0.068 38.991 39.000 0.098 0.000 1.120 268 F HN 0.698 nan 8.300 nan 0.000 0.579 269 G N 6.101 114.574 108.800 -0.545 0.000 2.370 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.293 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.293 269 G C 0.337 175.224 174.900 -0.023 0.000 0.992 269 G CA 0.693 45.608 45.100 -0.309 0.000 1.247 269 G HN 1.067 nan 8.290 nan 0.000 0.505 270 Y N 0.625 120.874 120.300 -0.086 0.000 2.081 270 Y HA -0.264 4.286 4.550 -0.000 0.000 0.280 270 Y C 2.658 178.535 175.900 -0.039 0.000 1.163 270 Y CA 2.622 60.713 58.100 -0.015 0.000 1.135 270 Y CB -0.069 38.404 38.460 0.021 0.000 0.970 270 Y HN 0.419 nan 8.280 nan 0.000 0.498 271 M N -0.156 119.486 119.600 0.071 0.000 2.229 271 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 271 M C 2.387 178.629 176.300 -0.096 0.000 1.063 271 M CA 1.401 56.664 55.300 -0.062 0.000 1.114 271 M CB -1.857 30.728 32.600 -0.026 0.000 1.387 271 M HN 0.504 nan 8.290 nan 0.000 0.420 272 G N -0.320 108.445 108.800 -0.058 0.000 2.421 272 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 272 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 272 G C 1.544 176.485 174.900 0.067 0.000 1.143 272 G CA 0.348 45.465 45.100 0.029 0.000 0.784 272 G HN 0.255 nan 8.290 nan 0.000 0.541 273 M N 0.474 120.023 119.600 -0.085 0.000 2.156 273 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 273 M C 2.731 178.887 176.300 -0.241 0.000 1.067 273 M CA 0.702 55.908 55.300 -0.156 0.000 1.131 273 M CB -0.971 31.533 32.600 -0.161 0.000 1.368 273 M HN 0.104 nan 8.290 nan 0.000 0.416 274 V N -0.956 118.702 119.914 -0.426 0.000 2.307 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 274 V C 2.095 177.977 176.094 -0.354 0.000 1.045 274 V CA 1.851 63.756 62.300 -0.658 0.000 1.024 274 V CB -0.828 30.375 31.823 -1.033 0.000 0.651 274 V HN 0.635 nan 8.190 nan 0.000 0.449 275 W N 1.224 122.326 121.300 -0.330 0.000 2.335 275 W HA -0.241 4.419 4.660 -0.000 0.000 0.311 275 W C 2.415 178.855 176.519 -0.132 0.000 1.213 275 W CA 2.293 59.519 57.345 -0.198 0.000 1.274 275 W CB -0.441 28.927 29.460 -0.153 0.000 1.148 275 W HN 0.188 nan 8.180 nan 0.000 0.498 276 A N 0.393 123.093 122.820 -0.200 0.000 1.902 276 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 276 A C 2.066 179.453 177.584 -0.328 0.000 1.181 276 A CA 2.182 53.968 52.037 -0.419 0.000 0.623 276 A CB -0.888 18.027 19.000 -0.141 0.000 0.818 276 A HN 0.432 nan 8.150 nan 0.000 0.443 277 M N -1.299 118.188 119.600 -0.188 0.000 2.175 277 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 277 M C 2.376 178.633 176.300 -0.072 0.000 1.063 277 M CA 1.406 56.678 55.300 -0.048 0.000 1.119 277 M CB -0.436 32.181 32.600 0.029 0.000 1.377 277 M HN 0.421 nan 8.290 nan 0.000 0.415 278 M N -0.700 118.805 119.600 -0.158 0.000 2.175 278 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 278 M C 2.257 178.484 176.300 -0.123 0.000 1.063 278 M CA 1.366 56.608 55.300 -0.097 0.000 1.119 278 M CB -0.449 32.086 32.600 -0.109 0.000 1.377 278 M HN 0.200 nan 8.290 nan 0.000 0.415 279 S N 1.022 116.510 115.700 -0.353 0.000 2.356 279 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 279 S C 1.825 176.335 174.600 -0.150 0.000 1.032 279 S CA 1.140 59.142 58.200 -0.330 0.000 1.005 279 S CB -0.364 62.355 63.200 -0.802 0.000 0.867 279 S HN 0.366 nan 8.310 nan 0.000 0.449 280 I N 1.485 121.942 120.570 -0.189 0.000 2.226 280 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 280 I C 2.659 178.671 176.117 -0.175 0.000 1.100 280 I CA 1.209 62.410 61.300 -0.166 0.000 1.374 280 I CB -0.768 37.218 38.000 -0.022 0.000 1.057 280 I HN 0.379 nan 8.210 nan 0.000 0.413 281 G N 0.407 109.192 108.800 -0.024 0.000 2.418 281 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 281 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 281 G C 1.560 176.572 174.900 0.187 0.000 1.158 281 G CA 0.514 45.660 45.100 0.075 0.000 0.771 281 G HN 0.322 nan 8.290 nan 0.000 0.545 282 F N 1.292 121.267 119.950 0.041 0.000 2.060 282 F HA 0.107 4.634 4.527 -0.000 0.000 0.295 282 F C 2.469 178.328 175.800 0.099 0.000 1.120 282 F CA 1.045 59.105 58.000 0.101 0.000 1.205 282 F CB -0.468 38.544 39.000 0.020 0.000 0.986 282 F HN 0.027 nan 8.300 nan 0.000 0.470 283 L N 0.218 121.335 121.223 -0.178 0.000 2.127 283 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 283 L C 2.665 179.364 176.870 -0.285 0.000 1.089 283 L CA 1.236 55.902 54.840 -0.289 0.000 0.757 283 L CB -1.544 40.413 42.059 -0.169 0.000 0.899 283 L HN 0.382 nan 8.230 nan 0.000 0.434 284 G N -0.938 107.676 108.800 -0.310 0.000 2.535 284 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 284 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 284 G C 1.190 175.969 174.900 -0.202 0.000 1.122 284 G CA 0.291 45.222 45.100 -0.281 0.000 0.769 284 G HN 0.292 nan 8.290 nan 0.000 0.549 285 F N 0.031 119.884 119.950 -0.160 0.000 2.749 285 F HA 0.312 4.839 4.527 -0.000 0.000 0.300 285 F C 1.829 177.647 175.800 0.030 0.000 1.103 285 F CA -0.171 57.723 58.000 -0.177 0.000 1.342 285 F CB 0.448 39.333 39.000 -0.192 0.000 1.098 285 F HN 0.215 nan 8.300 nan 0.000 0.586 286 I N -1.913 118.756 120.570 0.165 0.000 3.707 286 I HA 0.263 4.433 4.170 -0.000 0.000 0.330 286 I C 0.312 176.548 176.117 0.198 0.000 1.572 286 I CA -0.003 61.469 61.300 0.287 0.000 1.104 286 I CB 0.161 38.209 38.000 0.079 0.000 1.240 286 I HN -0.100 nan 8.210 nan 0.000 0.475 287 V N -3.497 116.521 119.914 0.173 0.000 3.382 287 V HA 0.201 4.321 4.120 -0.000 0.000 0.296 287 V C 1.702 177.613 176.094 -0.306 0.000 1.529 287 V CA -0.137 62.166 62.300 0.006 0.000 1.048 287 V CB -0.869 30.818 31.823 -0.226 0.000 0.878 287 V HN 0.699 nan 8.190 nan 0.000 0.442 288 W N 2.531 123.782 121.300 -0.081 0.000 2.308 288 W HA -0.117 4.543 4.660 -0.000 0.000 0.301 288 W C 1.826 178.110 176.519 -0.391 0.000 1.220 288 W CA 2.165 59.422 57.345 -0.146 0.000 1.240 288 W CB -0.973 28.567 29.460 0.134 0.000 1.142 288 W HN 0.256 nan 8.180 nan 0.000 0.521 289 A N 1.640 123.497 122.820 -1.604 0.000 2.248 289 A HA -0.167 4.153 4.320 -0.000 0.000 0.210 289 A C 1.785 178.597 177.584 -1.287 0.000 1.174 289 A CA 1.195 52.338 52.037 -1.491 0.000 0.750 289 A CB -1.865 15.874 19.000 -2.102 0.000 0.780 289 A HN 0.817 nan 8.150 nan 0.000 0.478 290 H N -3.142 115.232 119.070 -1.160 0.000 2.563 290 H HA 0.016 4.572 4.556 -0.000 0.000 0.272 290 H C 0.757 175.258 175.328 -1.377 0.000 1.005 290 H CA 0.836 55.905 56.048 -1.632 0.000 1.171 290 H CB -0.293 28.932 29.762 -0.896 0.000 1.351 290 H HN 0.658 nan 8.280 nan 0.000 0.602 291 H N 0.457 119.113 119.070 -0.690 0.000 2.529 291 H HA 0.226 4.782 4.556 -0.000 0.000 0.277 291 H C 0.486 175.475 175.328 -0.564 0.000 1.004 291 H CA 0.219 55.829 56.048 -0.729 0.000 1.167 291 H CB 0.558 29.352 29.762 -1.614 0.000 1.445 291 H HN 0.480 nan 8.280 nan 0.000 0.554 292 M N -0.352 118.928 119.600 -0.533 0.000 3.017 292 M HA 0.117 4.597 4.480 -0.000 0.000 0.423 292 M C 0.064 176.213 176.300 -0.251 0.000 1.395 292 M CA -0.192 54.906 55.300 -0.337 0.000 0.816 292 M CB 0.513 32.954 32.600 -0.266 0.000 1.440 292 M HN -0.090 nan 8.290 nan 0.000 0.506 293 F N 0.905 120.673 119.950 -0.303 0.000 2.451 293 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 293 F C 2.492 178.179 175.800 -0.190 0.000 1.101 293 F CA 1.374 59.242 58.000 -0.220 0.000 1.436 293 F CB -0.629 38.258 39.000 -0.189 0.000 1.074 293 F HN 0.283 nan 8.300 nan 0.000 0.553 294 T N -3.827 110.674 114.554 -0.089 0.000 3.054 294 T HA 0.136 4.486 4.350 -0.000 0.000 0.255 294 T C 1.585 176.277 174.700 -0.014 0.000 1.035 294 T CA 0.673 62.744 62.100 -0.048 0.000 0.941 294 T CB -0.658 68.182 68.868 -0.046 0.000 1.026 294 T HN 0.091 nan 8.240 nan 0.000 0.533 295 V N -1.189 118.710 119.914 -0.026 0.000 3.380 295 V HA 0.523 4.643 4.120 -0.000 0.000 0.268 295 V C 1.464 177.574 176.094 0.026 0.000 1.168 295 V CA 0.498 62.798 62.300 0.000 0.000 1.156 295 V CB -1.282 30.523 31.823 -0.031 0.000 0.785 295 V HN 0.838 nan 8.190 nan 0.000 0.487 296 G N 0.241 109.062 108.800 0.035 0.000 2.392 296 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 296 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 296 G C -0.387 174.551 174.900 0.063 0.000 1.097 296 G CA 0.112 45.240 45.100 0.047 0.000 0.840 296 G HN 0.488 nan 8.290 nan 0.000 0.492 297 M N 0.342 119.987 119.600 0.076 0.000 2.444 297 M HA 0.362 4.842 4.480 -0.000 0.000 0.319 297 M C 0.201 176.556 176.300 0.092 0.000 1.183 297 M CA -0.860 54.501 55.300 0.101 0.000 1.032 297 M CB 0.565 33.242 32.600 0.129 0.000 1.569 297 M HN 0.111 nan 8.290 nan 0.000 0.468 298 D N 1.014 121.472 120.400 0.097 0.000 2.478 298 D HA -0.061 4.579 4.640 -0.000 0.000 0.234 298 D C 0.893 177.240 176.300 0.078 0.000 1.154 298 D CA 0.063 54.110 54.000 0.078 0.000 0.874 298 D CB 0.855 41.702 40.800 0.078 0.000 1.198 298 D HN 0.373 nan 8.370 nan 0.000 0.455 299 V N 1.869 121.813 119.914 0.051 0.000 2.407 299 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 299 V C 1.243 177.368 176.094 0.051 0.000 1.055 299 V CA 1.895 64.215 62.300 0.034 0.000 1.049 299 V CB -0.112 31.718 31.823 0.012 0.000 0.662 299 V HN 0.407 nan 8.190 nan 0.000 0.455 300 D N -0.483 119.954 120.400 0.061 0.000 2.144 300 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 300 D C 2.262 178.637 176.300 0.124 0.000 0.978 300 D CA 1.846 55.888 54.000 0.070 0.000 0.833 300 D CB -0.457 40.373 40.800 0.052 0.000 0.961 300 D HN 0.446 nan 8.370 nan 0.000 0.470 301 T N 0.488 115.136 114.554 0.156 0.000 2.746 301 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 301 T C 1.976 176.917 174.700 0.401 0.000 1.039 301 T CA 0.860 63.124 62.100 0.272 0.000 1.142 301 T CB 0.047 69.078 68.868 0.272 0.000 0.866 301 T HN 0.126 nan 8.240 nan 0.000 0.444 302 R N 0.646 121.306 120.500 0.266 0.000 2.115 302 R HA 0.098 4.438 4.340 -0.000 0.000 0.230 302 R C 2.735 179.106 176.300 0.118 0.000 1.111 302 R CA 1.088 57.327 56.100 0.232 0.000 0.976 302 R CB -0.308 30.010 30.300 0.029 0.000 0.870 302 R HN 0.330 nan 8.270 nan 0.000 0.445 303 A N 0.341 123.208 122.820 0.078 0.000 1.930 303 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 303 A C 1.933 179.540 177.584 0.039 0.000 1.175 303 A CA 1.046 53.097 52.037 0.024 0.000 0.627 303 A CB -0.598 18.417 19.000 0.024 0.000 0.815 303 A HN 0.460 nan 8.150 nan 0.000 0.443 304 Y N -0.549 119.748 120.300 -0.005 0.000 2.133 304 Y HA -0.183 4.367 4.550 -0.000 0.000 0.287 304 Y C 1.863 177.688 175.900 -0.125 0.000 1.134 304 Y CA 1.841 59.874 58.100 -0.113 0.000 1.133 304 Y CB -0.614 37.703 38.460 -0.239 0.000 0.987 304 Y HN 0.233 nan 8.280 nan 0.000 0.502 305 F N 0.235 120.063 119.950 -0.203 0.000 2.269 305 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 305 F C 2.469 178.222 175.800 -0.078 0.000 1.082 305 F CA 1.879 59.725 58.000 -0.257 0.000 1.360 305 F CB -0.907 38.078 39.000 -0.025 0.000 1.041 305 F HN 0.034 nan 8.300 nan 0.000 0.512 306 T N -1.141 113.513 114.554 0.166 0.000 2.737 306 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 306 T C 2.272 176.942 174.700 -0.051 0.000 1.038 306 T CA 1.740 63.887 62.100 0.079 0.000 1.144 306 T CB -0.336 68.488 68.868 -0.072 0.000 0.866 306 T HN 0.172 nan 8.240 nan 0.000 0.434 307 S N 1.472 117.089 115.700 -0.139 0.000 2.355 307 S HA 0.001 4.471 4.470 -0.000 0.000 0.222 307 S C 2.574 177.050 174.600 -0.206 0.000 1.031 307 S CA 0.954 59.063 58.200 -0.152 0.000 0.993 307 S CB -0.566 62.554 63.200 -0.134 0.000 0.859 307 S HN 0.565 nan 8.310 nan 0.000 0.453 308 A N 1.435 124.004 122.820 -0.419 0.000 1.933 308 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 308 A C 2.309 179.771 177.584 -0.203 0.000 1.175 308 A CA 2.010 53.810 52.037 -0.396 0.000 0.628 308 A CB -1.340 17.194 19.000 -0.777 0.000 0.814 308 A HN 0.475 nan 8.150 nan 0.000 0.444 309 T N 0.241 114.716 114.554 -0.133 0.000 2.746 309 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 309 T C 1.904 176.587 174.700 -0.028 0.000 1.039 309 T CA 1.730 63.820 62.100 -0.017 0.000 1.142 309 T CB -0.322 68.615 68.868 0.114 0.000 0.866 309 T HN 0.455 nan 8.240 nan 0.000 0.444 310 M N 0.289 119.866 119.600 -0.038 0.000 2.229 310 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 310 M C 2.172 178.469 176.300 -0.005 0.000 1.063 310 M CA 1.330 56.618 55.300 -0.021 0.000 1.114 310 M CB -0.648 31.937 32.600 -0.025 0.000 1.387 310 M HN 0.232 nan 8.290 nan 0.000 0.420 311 I N 0.670 121.229 120.570 -0.017 0.000 2.335 311 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 311 I C 2.164 178.290 176.117 0.016 0.000 1.129 311 I CA 1.182 62.486 61.300 0.006 0.000 1.402 311 I CB -0.431 37.569 38.000 -0.000 0.000 1.069 311 I HN 0.292 nan 8.210 nan 0.000 0.424 312 I N 0.919 121.487 120.570 -0.004 0.000 2.423 312 I HA -0.283 3.887 4.170 -0.000 0.000 0.254 312 I C 2.764 178.916 176.117 0.058 0.000 1.151 312 I CA 1.099 62.401 61.300 0.003 0.000 1.421 312 I CB -0.668 37.335 38.000 0.005 0.000 1.079 312 I HN 0.209 nan 8.210 nan 0.000 0.431 313 A N 1.365 124.224 122.820 0.066 0.000 1.972 313 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 313 A C 2.277 179.915 177.584 0.091 0.000 1.169 313 A CA 1.339 53.425 52.037 0.082 0.000 0.635 313 A CB -0.582 18.455 19.000 0.063 0.000 0.810 313 A HN 0.385 nan 8.150 nan 0.000 0.446 314 I N 0.355 120.983 120.570 0.096 0.000 2.110 314 I HA -0.142 4.028 4.170 -0.000 0.000 0.236 314 I C -0.255 175.961 176.117 0.166 0.000 1.068 314 I CA 1.484 62.873 61.300 0.148 0.000 1.333 314 I CB -1.190 36.915 38.000 0.176 0.000 1.054 314 I HN 0.233 nan 8.210 nan 0.000 0.402 315 P HA -0.121 nan 4.420 nan 0.000 0.218 315 P C 1.519 178.801 177.300 -0.031 0.000 1.149 315 P CA 1.647 64.726 63.100 -0.034 0.000 0.817 315 P CB -0.268 31.187 31.700 -0.409 0.000 0.785 316 T N -0.350 114.205 114.554 0.002 0.000 2.821 316 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 316 T C 2.157 176.806 174.700 -0.086 0.000 1.046 316 T CA 1.682 63.778 62.100 -0.008 0.000 1.139 316 T CB -1.072 67.916 68.868 0.201 0.000 0.871 316 T HN 0.203 nan 8.240 nan 0.000 0.454 317 G N 1.063 109.854 108.800 -0.015 0.000 2.422 317 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 317 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 317 G C 1.673 176.540 174.900 -0.055 0.000 1.146 317 G CA 0.647 45.704 45.100 -0.073 0.000 0.769 317 G HN 0.433 nan 8.290 nan 0.000 0.547 318 V N 0.748 120.703 119.914 0.067 0.000 2.407 318 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 318 V C 2.795 178.815 176.094 -0.124 0.000 1.055 318 V CA 2.125 64.486 62.300 0.101 0.000 1.049 318 V CB -0.338 31.625 31.823 0.233 0.000 0.662 318 V HN 0.381 nan 8.190 nan 0.000 0.455 319 K N -0.348 119.834 120.400 -0.363 0.000 2.025 319 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 319 K C 2.117 178.069 176.600 -1.081 0.000 1.049 319 K CA 1.340 57.115 56.287 -0.853 0.000 0.933 319 K CB -0.463 31.345 32.500 -1.153 0.000 0.714 319 K HN 0.329 nan 8.250 nan 0.000 0.438 320 V N 1.204 120.705 119.914 -0.689 0.000 2.287 320 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 320 V C 2.052 178.012 176.094 -0.223 0.000 1.053 320 V CA 1.855 63.953 62.300 -0.338 0.000 1.027 320 V CB -0.574 31.036 31.823 -0.356 0.000 0.646 320 V HN 0.214 nan 8.190 nan 0.000 0.447 321 F N 0.038 119.958 119.950 -0.050 0.000 2.293 321 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 321 F C 2.584 178.322 175.800 -0.103 0.000 1.086 321 F CA 1.137 59.109 58.000 -0.046 0.000 1.375 321 F CB -0.311 38.661 39.000 -0.048 0.000 1.045 321 F HN 0.064 nan 8.300 nan 0.000 0.516 322 S N -1.002 114.700 115.700 0.004 0.000 2.406 322 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 322 S C 1.676 176.336 174.600 0.100 0.000 1.020 322 S CA 0.599 58.822 58.200 0.038 0.000 0.965 322 S CB -0.274 62.957 63.200 0.051 0.000 0.798 322 S HN 0.397 nan 8.310 nan 0.000 0.488 323 W N 1.908 123.256 121.300 0.080 0.000 2.381 323 W HA 0.131 4.791 4.660 -0.000 0.000 0.301 323 W C 1.862 178.419 176.519 0.063 0.000 1.205 323 W CA 0.208 57.598 57.345 0.075 0.000 1.285 323 W CB -1.176 28.326 29.460 0.069 0.000 1.133 323 W HN 0.302 nan 8.180 nan 0.000 0.521 324 L N 0.052 121.444 121.223 0.283 0.000 2.093 324 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 324 L C 2.562 179.481 176.870 0.081 0.000 1.085 324 L CA 1.378 56.329 54.840 0.184 0.000 0.755 324 L CB -1.283 40.896 42.059 0.200 0.000 0.904 324 L HN -0.155 nan 8.230 nan 0.000 0.435 325 A N -0.635 122.155 122.820 -0.051 0.000 2.067 325 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 325 A C 2.286 179.860 177.584 -0.017 0.000 1.158 325 A CA 1.840 53.707 52.037 -0.283 0.000 0.661 325 A CB -0.609 17.727 19.000 -1.106 0.000 0.801 325 A HN 0.369 nan 8.150 nan 0.000 0.452 326 T N 0.095 114.730 114.554 0.135 0.000 2.942 326 T HA 0.054 4.404 4.350 -0.000 0.000 0.265 326 T C 1.718 176.500 174.700 0.137 0.000 1.062 326 T CA 0.976 63.200 62.100 0.206 0.000 1.139 326 T CB -0.233 68.790 68.868 0.258 0.000 0.883 326 T HN 0.375 nan 8.240 nan 0.000 0.468 327 L N 0.192 121.487 121.223 0.121 0.000 2.141 327 L HA 0.025 4.365 4.340 -0.000 0.000 0.209 327 L C 1.282 178.198 176.870 0.077 0.000 1.094 327 L CA 0.481 55.361 54.840 0.067 0.000 0.763 327 L CB -0.612 41.482 42.059 0.060 0.000 0.908 327 L HN 0.311 nan 8.230 nan 0.000 0.437 328 H N 0.687 119.760 119.070 0.005 0.000 3.187 328 H HA 0.174 4.730 4.556 -0.000 0.000 0.286 328 H C 1.108 176.443 175.328 0.011 0.000 0.944 328 H CA 0.380 56.426 56.048 -0.002 0.000 1.429 328 H CB 0.154 29.897 29.762 -0.032 0.000 1.483 328 H HN 0.305 nan 8.280 nan 0.000 0.555 329 G N 3.017 111.576 108.800 -0.400 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 0.668 175.483 174.900 -0.142 0.000 0.976 329 G CA 0.294 45.193 45.100 -0.335 0.000 0.655 329 G HN 1.028 nan 8.290 nan 0.000 0.533 330 G N -0.497 108.249 108.800 -0.089 0.000 2.507 330 G HA2 0.441 4.401 3.960 -0.000 0.000 0.271 330 G HA3 0.441 4.401 3.960 -0.000 0.000 0.271 330 G C 0.055 174.917 174.900 -0.063 0.000 1.189 330 G CA 0.106 45.167 45.100 -0.066 0.000 0.859 330 G HN 0.526 nan 8.290 nan 0.000 0.542 331 N N 1.249 119.911 118.700 -0.063 0.000 2.719 331 N HA 0.051 4.791 4.740 -0.000 0.000 0.243 331 N C 0.334 175.809 175.510 -0.059 0.000 1.104 331 N CA -0.664 52.358 53.050 -0.046 0.000 0.981 331 N CB -0.088 38.370 38.487 -0.048 0.000 1.290 331 N HN 0.149 nan 8.380 nan 0.000 0.513 332 I N 1.616 122.141 120.570 -0.075 0.000 2.662 332 I HA -0.035 4.135 4.170 -0.000 0.000 0.285 332 I C 0.822 176.856 176.117 -0.139 0.000 1.161 332 I CA 0.075 61.265 61.300 -0.183 0.000 1.415 332 I CB -0.359 37.423 38.000 -0.363 0.000 1.385 332 I HN 0.391 nan 8.210 nan 0.000 0.552 333 K N 7.144 127.480 120.400 -0.107 0.000 2.292 333 K HA 0.195 4.515 4.320 -0.000 0.000 0.270 333 K C -0.779 175.771 176.600 -0.084 0.000 1.062 333 K CA -0.261 56.043 56.287 0.028 0.000 0.916 333 K CB 0.191 32.803 32.500 0.187 0.000 1.166 333 K HN 0.355 nan 8.250 nan 0.000 0.458 334 W N 4.600 125.866 121.300 -0.057 0.000 1.830 334 W HA 0.089 4.749 4.660 -0.000 0.000 0.461 334 W C 0.350 176.754 176.519 -0.192 0.000 0.613 334 W CA -0.411 56.857 57.345 -0.129 0.000 2.422 334 W CB -0.589 28.807 29.460 -0.107 0.000 1.059 334 W HN 0.540 nan 8.180 nan 0.000 0.479 335 S N -0.383 115.218 115.700 -0.165 0.000 2.624 335 S HA 0.271 4.741 4.470 -0.000 0.000 0.263 335 S C -1.423 172.993 174.600 -0.306 0.000 1.287 335 S CA -1.086 56.955 58.200 -0.265 0.000 0.990 335 S CB 1.464 64.322 63.200 -0.569 0.000 0.950 335 S HN -0.038 nan 8.310 nan 0.000 0.561 336 P HA -0.014 nan 4.420 nan 0.000 0.216 336 P C 1.558 178.764 177.300 -0.157 0.000 1.150 336 P CA 1.829 64.829 63.100 -0.167 0.000 0.837 336 P CB -0.261 31.462 31.700 0.040 0.000 0.786 337 A N -0.838 121.880 122.820 -0.171 0.000 1.933 337 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 337 A C 2.214 179.665 177.584 -0.223 0.000 1.175 337 A CA 2.058 54.041 52.037 -0.091 0.000 0.628 337 A CB -1.424 17.496 19.000 -0.134 0.000 0.814 337 A HN 0.121 nan 8.150 nan 0.000 0.444 338 M N -0.503 118.784 119.600 -0.522 0.000 2.175 338 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 338 M C 2.010 178.127 176.300 -0.306 0.000 1.063 338 M CA 1.716 56.791 55.300 -0.375 0.000 1.119 338 M CB -0.613 31.712 32.600 -0.458 0.000 1.377 338 M HN 0.421 nan 8.290 nan 0.000 0.415 339 M N -1.878 117.452 119.600 -0.451 0.000 2.117 339 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 339 M C 1.939 177.806 176.300 -0.723 0.000 1.065 339 M CA 1.931 56.776 55.300 -0.758 0.000 1.114 339 M CB -0.688 31.127 32.600 -1.309 0.000 1.361 339 M HN 0.387 nan 8.290 nan 0.000 0.408 340 W N 0.159 121.189 121.300 -0.450 0.000 2.363 340 W HA -0.123 4.537 4.660 -0.000 0.000 0.296 340 W C 2.702 179.352 176.519 0.219 0.000 1.212 340 W CA 1.031 58.361 57.345 -0.024 0.000 1.260 340 W CB -0.378 29.081 29.460 -0.002 0.000 1.131 340 W HN 0.223 nan 8.180 nan 0.000 0.530 341 A N -0.025 122.947 122.820 0.253 0.000 1.930 341 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 341 A C 1.907 179.623 177.584 0.221 0.000 1.175 341 A CA 1.214 53.343 52.037 0.153 0.000 0.627 341 A CB -0.907 18.063 19.000 -0.050 0.000 0.815 341 A HN 0.282 nan 8.150 nan 0.000 0.443 342 L N -0.754 120.562 121.223 0.155 0.000 2.056 342 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 342 L C 2.815 179.926 176.870 0.401 0.000 1.078 342 L CA 1.036 55.992 54.840 0.194 0.000 0.749 342 L CB -0.759 41.339 42.059 0.065 0.000 0.901 342 L HN 0.473 nan 8.230 nan 0.000 0.433 343 G N -0.342 108.799 108.800 0.568 0.000 2.422 343 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 343 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 343 G C 1.486 176.804 174.900 0.696 0.000 1.146 343 G CA 0.501 46.124 45.100 0.872 0.000 0.769 343 G HN 0.281 nan 8.290 nan 0.000 0.547 344 F N 1.597 121.884 119.950 0.562 0.000 2.069 344 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 344 F C 2.507 178.477 175.800 0.283 0.000 1.113 344 F CA 1.441 59.641 58.000 0.333 0.000 1.214 344 F CB -0.281 38.870 39.000 0.252 0.000 0.978 344 F HN 0.108 nan 8.300 nan 0.000 0.474 345 I N -0.695 120.205 120.570 0.549 0.000 2.151 345 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 345 I C 2.373 178.722 176.117 0.387 0.000 1.080 345 I CA 1.818 63.405 61.300 0.477 0.000 1.339 345 I CB -0.714 37.535 38.000 0.415 0.000 1.039 345 I HN 0.249 nan 8.210 nan 0.000 0.409 346 F N 1.547 121.641 119.950 0.240 0.000 2.098 346 F HA -0.108 4.419 4.527 -0.000 0.000 0.294 346 F C 2.192 178.075 175.800 0.137 0.000 1.107 346 F CA 1.533 59.649 58.000 0.193 0.000 1.234 346 F CB -0.426 38.709 39.000 0.225 0.000 1.002 346 F HN -0.150 nan 8.300 nan 0.000 0.472 347 L N -1.008 120.152 121.223 -0.105 0.000 2.093 347 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 347 L C 2.436 179.169 176.870 -0.229 0.000 1.085 347 L CA 1.348 56.037 54.840 -0.252 0.000 0.755 347 L CB -0.941 40.960 42.059 -0.264 0.000 0.904 347 L HN 0.229 nan 8.230 nan 0.000 0.435 348 F N 0.820 120.542 119.950 -0.380 0.000 2.186 348 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 348 F C 2.436 178.137 175.800 -0.164 0.000 1.090 348 F CA 1.784 59.560 58.000 -0.373 0.000 1.307 348 F CB -0.331 38.251 39.000 -0.697 0.000 1.019 348 F HN -0.103 nan 8.300 nan 0.000 0.489 349 T N 0.272 114.754 114.554 -0.120 0.000 2.720 349 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 349 T C 2.153 176.687 174.700 -0.278 0.000 1.037 349 T CA 1.694 63.713 62.100 -0.134 0.000 1.144 349 T CB -0.623 68.251 68.868 0.010 0.000 0.864 349 T HN 0.137 nan 8.240 nan 0.000 0.444 350 V N 1.286 120.978 119.914 -0.371 0.000 2.295 350 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 350 V C 2.863 178.741 176.094 -0.361 0.000 1.049 350 V CA 2.082 64.142 62.300 -0.400 0.000 1.024 350 V CB -1.323 30.179 31.823 -0.535 0.000 0.648 350 V HN 0.599 nan 8.190 nan 0.000 0.447 351 G N -0.270 108.328 108.800 -0.336 0.000 2.422 351 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 351 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 351 G C 1.603 176.383 174.900 -0.199 0.000 1.146 351 G CA 0.914 45.859 45.100 -0.257 0.000 0.769 351 G HN 0.595 nan 8.290 nan 0.000 0.547 352 G N 0.837 109.372 108.800 -0.442 0.000 2.402 352 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 352 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 352 G C 1.790 176.610 174.900 -0.133 0.000 1.162 352 G CA 0.629 45.539 45.100 -0.317 0.000 0.777 352 G HN 0.421 nan 8.290 nan 0.000 0.539 353 L N 1.200 122.335 121.223 -0.146 0.000 2.093 353 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 353 L C 3.291 180.117 176.870 -0.074 0.000 1.085 353 L CA 1.683 56.467 54.840 -0.093 0.000 0.755 353 L CB -0.718 41.285 42.059 -0.092 0.000 0.904 353 L HN 0.405 nan 8.230 nan 0.000 0.435 354 T N -3.650 110.856 114.554 -0.080 0.000 2.995 354 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 354 T C 1.889 176.533 174.700 -0.094 0.000 1.091 354 T CA 0.815 62.904 62.100 -0.017 0.000 1.128 354 T CB -0.580 68.222 68.868 -0.110 0.000 0.891 354 T HN 0.382 nan 8.240 nan 0.000 0.492 355 G N 1.676 110.342 108.800 -0.223 0.000 2.408 355 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 355 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 355 G C 1.457 176.193 174.900 -0.273 0.000 1.150 355 G CA 0.422 45.191 45.100 -0.552 0.000 0.776 355 G HN 0.455 nan 8.290 nan 0.000 0.542 356 I N 0.976 121.464 120.570 -0.137 0.000 2.394 356 I HA -0.076 4.094 4.170 -0.000 0.000 0.251 356 I C 2.846 178.915 176.117 -0.079 0.000 1.136 356 I CA 0.630 61.878 61.300 -0.087 0.000 1.425 356 I CB -0.689 37.285 38.000 -0.045 0.000 1.079 356 I HN 0.027 nan 8.210 nan 0.000 0.425 357 V N 1.034 120.911 119.914 -0.062 0.000 2.307 357 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 357 V C 2.519 178.559 176.094 -0.089 0.000 1.045 357 V CA 1.412 63.679 62.300 -0.055 0.000 1.024 357 V CB -0.495 31.333 31.823 0.009 0.000 0.651 357 V HN 0.313 nan 8.190 nan 0.000 0.449 358 L N 0.225 121.390 121.223 -0.097 0.000 2.265 358 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 358 L C 2.612 179.440 176.870 -0.071 0.000 1.117 358 L CA 1.160 55.935 54.840 -0.108 0.000 0.782 358 L CB -0.726 41.226 42.059 -0.178 0.000 0.914 358 L HN 0.354 nan 8.230 nan 0.000 0.441 359 A N -0.429 122.333 122.820 -0.096 0.000 2.019 359 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 359 A C 0.999 178.611 177.584 0.046 0.000 1.164 359 A CA 0.868 52.905 52.037 -0.000 0.000 0.644 359 A CB -0.544 18.426 19.000 -0.050 0.000 0.805 359 A HN 0.421 nan 8.150 nan 0.000 0.449 360 N N 1.336 119.995 118.700 -0.069 0.000 2.402 360 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 360 N C 1.180 176.509 175.510 -0.302 0.000 1.167 360 N CA 0.705 53.657 53.050 -0.163 0.000 0.949 360 N CB 1.042 39.450 38.487 -0.131 0.000 1.212 360 N HN 0.528 nan 8.380 nan 0.000 0.493 361 S N 1.263 116.568 115.700 -0.659 0.000 2.402 361 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 361 S C 1.856 176.179 174.600 -0.462 0.000 1.030 361 S CA 1.059 58.627 58.200 -1.052 0.000 1.003 361 S CB -0.073 62.233 63.200 -1.491 0.000 0.813 361 S HN 0.416 nan 8.310 nan 0.000 0.477 362 S N 2.125 117.640 115.700 -0.308 0.000 2.343 362 S HA 0.082 4.552 4.470 -0.000 0.000 0.219 362 S C 1.830 176.343 174.600 -0.144 0.000 1.033 362 S CA 1.371 59.460 58.200 -0.185 0.000 1.014 362 S CB -0.635 62.480 63.200 -0.142 0.000 0.915 362 S HN 0.430 nan 8.310 nan 0.000 0.435 363 L N 1.104 122.240 121.223 -0.145 0.000 2.093 363 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 363 L C 2.235 179.038 176.870 -0.112 0.000 1.085 363 L CA 1.390 56.153 54.840 -0.129 0.000 0.755 363 L CB -0.503 41.467 42.059 -0.147 0.000 0.904 363 L HN 0.312 nan 8.230 nan 0.000 0.435 364 D N -0.133 120.207 120.400 -0.099 0.000 2.263 364 D HA -0.199 4.441 4.640 -0.000 0.000 0.208 364 D C 2.074 178.397 176.300 0.038 0.000 0.971 364 D CA 0.657 54.654 54.000 -0.005 0.000 0.867 364 D CB 0.215 41.086 40.800 0.119 0.000 0.929 364 D HN 0.101 nan 8.370 nan 0.000 0.492 365 I N 0.177 120.737 120.570 -0.017 0.000 2.163 365 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 365 I C 2.244 178.386 176.117 0.041 0.000 1.085 365 I CA 0.863 62.172 61.300 0.015 0.000 1.347 365 I CB -1.083 36.905 38.000 -0.020 0.000 1.044 365 I HN 0.065 nan 8.210 nan 0.000 0.408 366 V N 0.266 120.180 119.914 -0.000 0.000 2.788 366 V HA -0.089 4.031 4.120 -0.000 0.000 0.251 366 V C 2.320 178.408 176.094 -0.009 0.000 1.068 366 V CA 0.865 63.163 62.300 -0.004 0.000 1.090 366 V CB -0.337 31.467 31.823 -0.032 0.000 0.710 366 V HN 0.292 nan 8.190 nan 0.000 0.467 367 L N -1.059 120.146 121.223 -0.030 0.000 2.375 367 L HA 0.157 4.497 4.340 -0.000 0.000 0.215 367 L C 1.333 178.227 176.870 0.040 0.000 1.108 367 L CA 0.092 54.907 54.840 -0.041 0.000 0.830 367 L CB -0.450 41.509 42.059 -0.166 0.000 0.959 367 L HN 0.372 nan 8.230 nan 0.000 0.457 368 H N 1.139 120.212 119.070 0.005 0.000 2.972 368 H HA -0.104 4.452 4.556 -0.000 0.000 0.343 368 H C 0.470 175.818 175.328 0.033 0.000 1.054 368 H CA 0.571 56.637 56.048 0.030 0.000 1.412 368 H CB 0.192 29.980 29.762 0.045 0.000 1.385 368 H HN 0.112 nan 8.280 nan 0.000 0.600 369 D N 2.001 121.942 120.400 -0.765 0.000 2.911 369 D HA -0.208 4.432 4.640 -0.000 0.000 0.227 369 D C -0.366 175.803 176.300 -0.218 0.000 1.164 369 D CA 1.454 55.160 54.000 -0.491 0.000 0.782 369 D CB -0.852 39.691 40.800 -0.428 0.000 1.094 369 D HN 0.755 nan 8.370 nan 0.000 0.425 370 T N -4.205 110.263 114.554 -0.143 0.000 2.910 370 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 370 T C 1.006 175.672 174.700 -0.056 0.000 1.050 370 T CA -0.733 61.328 62.100 -0.065 0.000 1.011 370 T CB 0.908 69.777 68.868 0.001 0.000 1.195 370 T HN -0.040 nan 8.240 nan 0.000 0.540 371 Y N -0.481 119.760 120.300 -0.098 0.000 2.680 371 Y HA 0.044 4.594 4.550 -0.000 0.000 0.303 371 Y C 1.871 177.704 175.900 -0.112 0.000 1.166 371 Y CA 0.617 58.650 58.100 -0.113 0.000 1.344 371 Y CB -0.396 37.975 38.460 -0.149 0.000 1.002 371 Y HN 0.810 nan 8.280 nan 0.000 0.537 372 Y N -1.063 119.200 120.300 -0.062 0.000 2.314 372 Y HA -0.197 4.353 4.550 -0.000 0.000 0.293 372 Y C 2.088 177.924 175.900 -0.107 0.000 1.129 372 Y CA 1.169 59.214 58.100 -0.091 0.000 1.201 372 Y CB -0.184 38.250 38.460 -0.043 0.000 0.999 372 Y HN -0.092 nan 8.280 nan 0.000 0.541 373 V N -1.241 118.719 119.914 0.077 0.000 2.358 373 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 373 V C 2.229 178.216 176.094 -0.179 0.000 1.047 373 V CA 1.640 63.994 62.300 0.090 0.000 1.035 373 V CB -0.743 31.168 31.823 0.147 0.000 0.658 373 V HN 0.278 nan 8.190 nan 0.000 0.452 374 V N 0.549 120.190 119.914 -0.455 0.000 2.407 374 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 374 V C 2.690 178.342 176.094 -0.738 0.000 1.055 374 V CA 2.014 63.735 62.300 -0.966 0.000 1.049 374 V CB -1.199 30.199 31.823 -0.709 0.000 0.662 374 V HN 0.552 nan 8.190 nan 0.000 0.455 375 A N -0.028 122.501 122.820 -0.486 0.000 1.873 375 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 375 A C 2.138 179.475 177.584 -0.411 0.000 1.186 375 A CA 2.132 53.862 52.037 -0.511 0.000 0.616 375 A CB -0.840 17.530 19.000 -1.050 0.000 0.823 375 A HN 0.764 nan 8.150 nan 0.000 0.442 376 H N 0.273 119.064 119.070 -0.465 0.000 2.267 376 H HA -0.230 4.326 4.556 -0.000 0.000 0.297 376 H C 1.704 176.936 175.328 -0.160 0.000 1.080 376 H CA 2.494 58.375 56.048 -0.278 0.000 1.278 376 H CB -0.841 28.816 29.762 -0.175 0.000 1.365 376 H HN 0.595 nan 8.280 nan 0.000 0.489 377 F N -1.281 118.292 119.950 -0.628 0.000 2.365 377 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 377 F C 1.830 177.231 175.800 -0.666 0.000 1.090 377 F CA 0.988 58.543 58.000 -0.742 0.000 1.408 377 F CB -0.666 38.036 39.000 -0.497 0.000 1.060 377 F HN 0.197 nan 8.300 nan 0.000 0.534 378 H N -1.719 116.973 119.070 -0.631 0.000 2.470 378 H HA 0.005 4.561 4.556 -0.000 0.000 0.289 378 H C 1.414 176.300 175.328 -0.737 0.000 1.033 378 H CA 1.587 57.110 56.048 -0.874 0.000 1.331 378 H CB -0.209 28.408 29.762 -1.909 0.000 1.414 378 H HN 0.263 nan 8.280 nan 0.000 0.545 379 Y N 0.015 120.015 120.300 -0.501 0.000 2.220 379 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 379 Y C 2.487 178.155 175.900 -0.387 0.000 1.129 379 Y CA 1.353 59.215 58.100 -0.398 0.000 1.161 379 Y CB -0.150 38.107 38.460 -0.338 0.000 0.997 379 Y HN 0.140 nan 8.280 nan 0.000 0.522 380 V N -2.840 116.909 119.914 -0.274 0.000 2.951 380 V HA -0.094 4.026 4.120 -0.000 0.000 0.255 380 V C 1.679 177.695 176.094 -0.131 0.000 1.088 380 V CA 1.249 63.424 62.300 -0.207 0.000 1.109 380 V CB -0.606 31.054 31.823 -0.271 0.000 0.724 380 V HN 0.330 nan 8.190 nan 0.000 0.471 381 L N -0.164 120.929 121.223 -0.217 0.000 2.262 381 L HA 0.168 4.508 4.340 -0.000 0.000 0.197 381 L C 2.664 179.462 176.870 -0.121 0.000 1.073 381 L CA 1.298 56.029 54.840 -0.181 0.000 0.800 381 L CB -0.390 41.508 42.059 -0.268 0.000 0.987 381 L HN 0.273 nan 8.230 nan 0.000 0.470 382 S N -0.926 114.672 115.700 -0.170 0.000 2.522 382 S HA 0.071 4.541 4.470 -0.000 0.000 0.227 382 S C 1.684 176.259 174.600 -0.042 0.000 0.986 382 S CA 0.800 58.974 58.200 -0.044 0.000 0.929 382 S CB 0.121 63.316 63.200 -0.008 0.000 0.769 382 S HN 0.227 nan 8.310 nan 0.000 0.529 383 M N -0.977 118.470 119.600 -0.256 0.000 2.925 383 M HA 0.275 4.755 4.480 -0.000 0.000 0.249 383 M C 2.266 178.316 176.300 -0.417 0.000 1.439 383 M CA 0.699 55.647 55.300 -0.588 0.000 1.217 383 M CB -0.541 31.571 32.600 -0.813 0.000 1.245 383 M HN 0.307 nan 8.290 nan 0.000 0.552 384 G N 0.638 109.300 108.800 -0.230 0.000 2.556 384 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 384 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 384 G C 1.570 176.686 174.900 0.359 0.000 1.258 384 G CA 1.074 46.112 45.100 -0.102 0.000 0.811 384 G HN 0.450 nan 8.290 nan 0.000 0.557 385 A N -0.238 122.713 122.820 0.219 0.000 1.883 385 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 385 A C 2.621 180.335 177.584 0.217 0.000 1.186 385 A CA 2.185 54.338 52.037 0.194 0.000 0.624 385 A CB -0.833 18.190 19.000 0.038 0.000 0.822 385 A HN 0.314 nan 8.150 nan 0.000 0.444 386 V N -1.294 118.750 119.914 0.217 0.000 2.358 386 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 386 V C 2.309 178.596 176.094 0.321 0.000 1.047 386 V CA 1.946 64.388 62.300 0.237 0.000 1.035 386 V CB -0.892 31.077 31.823 0.243 0.000 0.658 386 V HN 0.632 nan 8.190 nan 0.000 0.452 387 F N 0.265 120.339 119.950 0.207 0.000 2.186 387 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 387 F C 2.490 178.398 175.800 0.179 0.000 1.090 387 F CA 0.871 59.060 58.000 0.315 0.000 1.307 387 F CB -0.364 39.026 39.000 0.649 0.000 1.019 387 F HN 0.149 nan 8.300 nan 0.000 0.489 388 A N 0.500 123.562 122.820 0.403 0.000 1.933 388 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 388 A C 2.108 179.686 177.584 -0.011 0.000 1.175 388 A CA 1.415 53.486 52.037 0.057 0.000 0.628 388 A CB -0.962 17.990 19.000 -0.080 0.000 0.814 388 A HN 0.404 nan 8.150 nan 0.000 0.444 389 I N -0.855 119.750 120.570 0.058 0.000 2.252 389 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 389 I C 2.560 178.709 176.117 0.055 0.000 1.102 389 I CA 1.081 62.448 61.300 0.112 0.000 1.385 389 I CB -0.255 37.853 38.000 0.180 0.000 1.064 389 I HN 0.257 nan 8.210 nan 0.000 0.414 390 M N 0.272 119.732 119.600 -0.234 0.000 2.117 390 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 390 M C 2.410 178.427 176.300 -0.472 0.000 1.065 390 M CA 1.796 56.739 55.300 -0.596 0.000 1.114 390 M CB -1.996 29.545 32.600 -1.766 0.000 1.361 390 M HN 0.289 nan 8.290 nan 0.000 0.408 391 G N -0.247 108.336 108.800 -0.361 0.000 2.421 391 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 391 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 391 G C 1.600 176.498 174.900 -0.004 0.000 1.171 391 G CA 1.076 46.155 45.100 -0.035 0.000 0.775 391 G HN 0.550 nan 8.290 nan 0.000 0.543 392 G N 0.184 108.956 108.800 -0.047 0.000 2.422 392 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 392 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 392 G C 1.618 176.713 174.900 0.324 0.000 1.146 392 G CA 0.879 45.962 45.100 -0.028 0.000 0.769 392 G HN 0.350 nan 8.290 nan 0.000 0.547 393 F N 1.955 122.109 119.950 0.339 0.000 2.102 393 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 393 F C 2.785 178.736 175.800 0.251 0.000 1.105 393 F CA 2.020 60.302 58.000 0.470 0.000 1.239 393 F CB -0.383 38.809 39.000 0.319 0.000 0.991 393 F HN 0.069 nan 8.300 nan 0.000 0.474 394 V N -1.557 118.472 119.914 0.192 0.000 2.427 394 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 394 V C 2.406 178.514 176.094 0.025 0.000 1.051 394 V CA 2.339 64.683 62.300 0.073 0.000 1.048 394 V CB -1.508 30.439 31.823 0.207 0.000 0.666 394 V HN 0.514 nan 8.190 nan 0.000 0.456 395 H N -0.727 118.286 119.070 -0.095 0.000 2.326 395 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 395 H C 1.828 176.997 175.328 -0.265 0.000 1.081 395 H CA 2.397 58.304 56.048 -0.235 0.000 1.334 395 H CB -0.196 29.251 29.762 -0.524 0.000 1.385 395 H HN 0.557 nan 8.280 nan 0.000 0.504 396 W N -0.535 120.547 121.300 -0.362 0.000 3.211 396 W HA 0.050 4.710 4.660 -0.000 0.000 0.292 396 W C 1.560 177.361 176.519 -1.198 0.000 1.268 396 W CA -0.291 56.505 57.345 -0.915 0.000 1.702 396 W CB -0.792 27.982 29.460 -1.143 0.000 1.092 396 W HN 0.206 nan 8.180 nan 0.000 0.643 397 F N 2.803 122.316 119.950 -0.729 0.000 2.091 397 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 397 F C -0.733 174.783 175.800 -0.472 0.000 1.103 397 F CA 1.959 59.526 58.000 -0.723 0.000 1.228 397 F CB -1.382 37.168 39.000 -0.750 0.000 0.984 397 F HN -0.248 nan 8.300 nan 0.000 0.477 398 P HA -0.171 nan 4.420 nan 0.000 0.218 398 P C 1.764 178.912 177.300 -0.254 0.000 1.149 398 P CA 1.206 64.197 63.100 -0.182 0.000 0.817 398 P CB -0.099 31.649 31.700 0.080 0.000 0.785 399 L N -1.488 119.475 121.223 -0.435 0.000 2.027 399 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 399 L C 1.993 178.573 176.870 -0.483 0.000 1.074 399 L CA 2.030 56.512 54.840 -0.596 0.000 0.745 399 L CB -1.365 39.941 42.059 -1.254 0.000 0.898 399 L HN -0.165 nan 8.230 nan 0.000 0.433 400 F N -0.224 119.234 119.950 -0.821 0.000 2.186 400 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 400 F C 2.828 178.313 175.800 -0.525 0.000 1.090 400 F CA 1.081 58.462 58.000 -1.033 0.000 1.307 400 F CB -1.721 36.592 39.000 -1.144 0.000 1.019 400 F HN 0.399 nan 8.300 nan 0.000 0.489 401 S N -1.496 113.917 115.700 -0.477 0.000 2.475 401 S HA 0.407 4.877 4.470 -0.000 0.000 0.224 401 S C 1.867 176.165 174.600 -0.504 0.000 1.042 401 S CA 0.552 58.487 58.200 -0.441 0.000 0.935 401 S CB 0.274 62.962 63.200 -0.854 0.000 0.801 401 S HN 0.540 nan 8.310 nan 0.000 0.509 402 G N -0.055 108.466 108.800 -0.464 0.000 2.175 402 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 402 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 402 G C -0.239 174.408 174.900 -0.422 0.000 0.982 402 G CA 0.327 45.178 45.100 -0.415 0.000 0.641 402 G HN 0.530 nan 8.290 nan 0.000 0.527 403 Y N 0.812 120.999 120.300 -0.188 0.000 2.549 403 Y HA 0.708 5.258 4.550 -0.000 0.000 0.339 403 Y C 0.857 176.744 175.900 -0.022 0.000 1.053 403 Y CA -0.660 57.378 58.100 -0.102 0.000 1.105 403 Y CB 1.634 40.020 38.460 -0.122 0.000 1.258 403 Y HN 0.313 nan 8.280 nan 0.000 0.478 404 T N -0.167 114.516 114.554 0.214 0.000 2.929 404 T HA 0.769 5.119 4.350 -0.000 0.000 0.284 404 T C -0.390 174.382 174.700 0.121 0.000 1.014 404 T CA -0.834 61.363 62.100 0.161 0.000 1.051 404 T CB 0.786 69.708 68.868 0.091 0.000 1.028 404 T HN 0.486 nan 8.240 nan 0.000 0.485 405 L N 1.890 123.156 121.223 0.072 0.000 2.454 405 L HA 0.441 4.781 4.340 -0.000 0.000 0.256 405 L C 1.032 177.915 176.870 0.023 0.000 1.136 405 L CA -1.186 53.627 54.840 -0.045 0.000 0.804 405 L CB 0.495 42.486 42.059 -0.114 0.000 1.181 405 L HN 0.709 nan 8.230 nan 0.000 0.469 406 N N 0.622 119.356 118.700 0.056 0.000 2.406 406 N HA -0.006 4.734 4.740 -0.000 0.000 0.251 406 N C 0.047 175.650 175.510 0.154 0.000 1.069 406 N CA -0.093 53.041 53.050 0.140 0.000 0.947 406 N CB 1.215 39.885 38.487 0.305 0.000 1.111 406 N HN 0.526 nan 8.380 nan 0.000 0.497 407 D N 2.288 122.746 120.400 0.098 0.000 2.149 407 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 407 D C 1.209 177.563 176.300 0.090 0.000 0.990 407 D CA 1.579 55.628 54.000 0.082 0.000 0.839 407 D CB 0.205 41.032 40.800 0.045 0.000 0.948 407 D HN 0.572 nan 8.370 nan 0.000 0.460 408 T N -0.890 113.699 114.554 0.060 0.000 2.737 408 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 408 T C 1.746 176.495 174.700 0.082 0.000 1.038 408 T CA 0.970 63.071 62.100 0.001 0.000 1.144 408 T CB -0.561 68.237 68.868 -0.118 0.000 0.866 408 T HN 0.339 nan 8.240 nan 0.000 0.434 409 W N 1.324 122.682 121.300 0.097 0.000 2.363 409 W HA -0.027 4.633 4.660 -0.000 0.000 0.296 409 W C 2.834 179.457 176.519 0.173 0.000 1.212 409 W CA 0.528 57.963 57.345 0.149 0.000 1.260 409 W CB -0.270 29.292 29.460 0.170 0.000 1.131 409 W HN 0.221 nan 8.180 nan 0.000 0.530 410 A N 0.271 123.321 122.820 0.383 0.000 1.969 410 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 410 A C 1.823 179.595 177.584 0.315 0.000 1.169 410 A CA 1.577 53.823 52.037 0.348 0.000 0.635 410 A CB -0.505 18.649 19.000 0.257 0.000 0.810 410 A HN 0.299 nan 8.150 nan 0.000 0.445 411 K N -0.570 119.946 120.400 0.193 0.000 2.155 411 K HA 0.077 4.397 4.320 -0.000 0.000 0.203 411 K C 1.670 178.365 176.600 0.158 0.000 1.052 411 K CA 1.109 57.462 56.287 0.110 0.000 0.948 411 K CB -0.240 32.279 32.500 0.033 0.000 0.728 411 K HN 0.499 nan 8.250 nan 0.000 0.448 412 I N 0.712 121.404 120.570 0.203 0.000 2.252 412 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 412 I C 2.700 178.964 176.117 0.244 0.000 1.102 412 I CA 1.181 62.604 61.300 0.205 0.000 1.385 412 I CB -0.361 37.801 38.000 0.270 0.000 1.064 412 I HN 0.325 nan 8.210 nan 0.000 0.414 413 H N 0.772 120.000 119.070 0.263 0.000 2.319 413 H HA -0.281 4.275 4.556 -0.000 0.000 0.299 413 H C 2.267 177.702 175.328 0.179 0.000 1.092 413 H CA 2.243 58.451 56.048 0.266 0.000 1.302 413 H CB -0.221 29.750 29.762 0.348 0.000 1.373 413 H HN 0.337 nan 8.280 nan 0.000 0.497 414 F N 1.508 121.326 119.950 -0.220 0.000 2.102 414 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 414 F C 2.661 178.206 175.800 -0.425 0.000 1.105 414 F CA 1.774 59.314 58.000 -0.767 0.000 1.239 414 F CB -0.794 37.590 39.000 -1.028 0.000 0.991 414 F HN 0.230 nan 8.300 nan 0.000 0.474 415 A N 0.992 123.635 122.820 -0.295 0.000 1.883 415 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 415 A C 2.320 179.794 177.584 -0.184 0.000 1.186 415 A CA 2.185 54.065 52.037 -0.261 0.000 0.624 415 A CB -1.314 17.653 19.000 -0.055 0.000 0.822 415 A HN 0.524 nan 8.150 nan 0.000 0.444 416 I N -1.585 118.923 120.570 -0.103 0.000 2.179 416 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 416 I C 2.661 178.738 176.117 -0.066 0.000 1.088 416 I CA 1.981 63.259 61.300 -0.038 0.000 1.357 416 I CB -0.281 37.737 38.000 0.032 0.000 1.051 416 I HN 0.394 nan 8.210 nan 0.000 0.409 417 M N 0.393 119.900 119.600 -0.155 0.000 2.159 417 M HA -0.234 4.246 4.480 -0.000 0.000 0.263 417 M C 2.049 178.335 176.300 -0.023 0.000 1.063 417 M CA 1.828 57.083 55.300 -0.075 0.000 1.110 417 M CB -0.583 31.985 32.600 -0.054 0.000 1.374 417 M HN 0.182 nan 8.290 nan 0.000 0.411 418 F N -0.603 119.133 119.950 -0.357 0.000 2.102 418 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 418 F C 1.901 177.654 175.800 -0.079 0.000 1.105 418 F CA 1.790 59.651 58.000 -0.230 0.000 1.239 418 F CB -0.438 38.200 39.000 -0.602 0.000 0.991 418 F HN -0.045 nan 8.300 nan 0.000 0.474 419 V N 0.171 120.127 119.914 0.070 0.000 2.307 419 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 419 V C 2.728 178.803 176.094 -0.031 0.000 1.045 419 V CA 1.907 64.227 62.300 0.034 0.000 1.024 419 V CB -1.590 30.268 31.823 0.057 0.000 0.651 419 V HN 0.542 nan 8.190 nan 0.000 0.449 420 G N 0.672 109.461 108.800 -0.019 0.000 2.459 420 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 420 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 420 G C 1.765 176.624 174.900 -0.069 0.000 1.183 420 G CA 1.784 46.870 45.100 -0.023 0.000 0.776 420 G HN 0.584 nan 8.290 nan 0.000 0.552 421 V N -0.772 119.118 119.914 -0.038 0.000 2.427 421 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 421 V C 2.211 178.240 176.094 -0.108 0.000 1.051 421 V CA 2.135 64.426 62.300 -0.016 0.000 1.048 421 V CB -0.622 31.262 31.823 0.102 0.000 0.666 421 V HN 0.280 nan 8.190 nan 0.000 0.456 422 N N 0.096 118.681 118.700 -0.192 0.000 2.216 422 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 422 N C 1.845 177.343 175.510 -0.021 0.000 1.017 422 N CA 1.980 54.943 53.050 -0.145 0.000 0.861 422 N CB -0.174 38.159 38.487 -0.257 0.000 0.986 422 N HN 0.580 nan 8.380 nan 0.000 0.428 423 M N 0.825 120.392 119.600 -0.054 0.000 2.229 423 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 423 M C 1.572 177.814 176.300 -0.097 0.000 1.063 423 M CA 1.162 56.454 55.300 -0.014 0.000 1.114 423 M CB -0.029 32.568 32.600 -0.006 0.000 1.387 423 M HN -0.020 nan 8.290 nan 0.000 0.420 424 T N 0.272 114.666 114.554 -0.267 0.000 2.701 424 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 424 T C 1.202 175.494 174.700 -0.681 0.000 1.040 424 T CA 1.645 63.400 62.100 -0.576 0.000 1.147 424 T CB -0.366 67.876 68.868 -1.043 0.000 0.865 424 T HN 0.419 nan 8.240 nan 0.000 0.426 425 F N -0.446 119.435 119.950 -0.116 0.000 2.530 425 F HA 0.298 4.825 4.527 -0.000 0.000 0.292 425 F C 1.868 177.647 175.800 -0.035 0.000 1.109 425 F CA -0.390 57.535 58.000 -0.126 0.000 1.450 425 F CB -0.342 38.539 39.000 -0.198 0.000 1.114 425 F HN 0.021 nan 8.300 nan 0.000 0.560 426 F N 2.738 122.750 119.950 0.104 0.000 2.095 426 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 426 F C -0.867 174.755 175.800 -0.297 0.000 1.104 426 F CA 1.230 59.269 58.000 0.065 0.000 1.232 426 F CB -1.696 37.329 39.000 0.041 0.000 0.987 426 F HN -0.148 nan 8.300 nan 0.000 0.475 427 P HA -0.167 nan 4.420 nan 0.000 0.222 427 P C 1.159 178.108 177.300 -0.585 0.000 1.147 427 P CA 1.548 64.284 63.100 -0.606 0.000 0.790 427 P CB -0.199 31.459 31.700 -0.070 0.000 0.780 428 Q N -1.833 117.713 119.800 -0.423 0.000 2.364 428 Q HA -0.184 4.156 4.340 -0.000 0.000 0.207 428 Q C 1.681 177.447 176.000 -0.390 0.000 0.970 428 Q CA 1.069 56.694 55.803 -0.297 0.000 0.888 428 Q CB -0.567 28.110 28.738 -0.101 0.000 0.951 428 Q HN 0.529 nan 8.270 nan 0.000 0.469 429 H N -0.805 117.886 119.070 -0.631 0.000 2.353 429 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 429 H C 1.475 176.626 175.328 -0.295 0.000 1.090 429 H CA 1.603 57.288 56.048 -0.604 0.000 1.327 429 H CB 0.029 29.209 29.762 -0.971 0.000 1.383 429 H HN 0.192 nan 8.280 nan 0.000 0.508 430 F N 0.409 120.200 119.950 -0.265 0.000 2.102 430 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 430 F C 2.265 178.043 175.800 -0.036 0.000 1.105 430 F CA 0.886 58.733 58.000 -0.255 0.000 1.239 430 F CB -1.078 37.476 39.000 -0.744 0.000 0.991 430 F HN 0.084 nan 8.300 nan 0.000 0.474 431 L N -0.345 120.955 121.223 0.128 0.000 2.079 431 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 431 L C 2.708 179.624 176.870 0.077 0.000 1.081 431 L CA 1.412 56.323 54.840 0.118 0.000 0.752 431 L CB -1.354 40.640 42.059 -0.107 0.000 0.896 431 L HN 0.288 nan 8.230 nan 0.000 0.433 432 G N -0.082 108.786 108.800 0.114 0.000 2.404 432 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 432 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 432 G C 1.605 176.594 174.900 0.149 0.000 1.189 432 G CA 0.300 45.498 45.100 0.162 0.000 0.789 432 G HN 0.197 nan 8.290 nan 0.000 0.533 433 L N 1.638 122.973 121.223 0.187 0.000 2.079 433 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 433 L C 3.044 179.986 176.870 0.121 0.000 1.081 433 L CA 1.578 56.483 54.840 0.108 0.000 0.752 433 L CB -0.381 41.758 42.059 0.134 0.000 0.896 433 L HN 0.432 nan 8.230 nan 0.000 0.433 434 S N -0.892 114.924 115.700 0.195 0.000 2.603 434 S HA 0.159 4.629 4.470 -0.000 0.000 0.220 434 S C 1.400 176.176 174.600 0.294 0.000 0.967 434 S CA 0.356 58.706 58.200 0.249 0.000 0.920 434 S CB 0.369 63.771 63.200 0.337 0.000 0.773 434 S HN 0.575 nan 8.310 nan 0.000 0.529 435 G N 1.042 109.946 108.800 0.173 0.000 2.144 435 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 435 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 435 G C -0.125 174.731 174.900 -0.074 0.000 0.988 435 G CA 0.025 45.188 45.100 0.104 0.000 0.659 435 G HN 0.601 nan 8.290 nan 0.000 0.522 436 M N 1.670 121.068 119.600 -0.337 0.000 2.227 436 M HA 0.412 4.892 4.480 -0.000 0.000 0.349 436 M C -2.132 174.001 176.300 -0.278 0.000 1.443 436 M CA -1.452 53.469 55.300 -0.633 0.000 1.110 436 M CB 0.725 32.778 32.600 -0.912 0.000 1.773 436 M HN -0.017 nan 8.290 nan 0.000 0.463 437 P HA 0.202 nan 4.420 nan 0.000 0.274 437 P C -1.101 176.028 177.300 -0.285 0.000 1.237 437 P CA -0.170 62.634 63.100 -0.493 0.000 0.793 437 P CB 0.580 31.644 31.700 -1.061 0.000 0.977 438 R N 1.256 121.646 120.500 -0.184 0.000 2.560 438 R HA 0.333 4.673 4.340 -0.000 0.000 0.270 438 R C 0.479 176.853 176.300 0.122 0.000 1.074 438 R CA -0.384 55.660 56.100 -0.093 0.000 1.140 438 R CB 0.146 30.364 30.300 -0.137 0.000 1.073 438 R HN 0.406 nan 8.270 nan 0.000 0.527 439 R N -0.272 120.388 120.500 0.267 0.000 3.651 439 R HA -0.238 4.102 4.340 -0.000 0.000 0.292 439 R C -1.101 175.575 176.300 0.626 0.000 1.161 439 R CA 0.781 57.140 56.100 0.432 0.000 0.787 439 R CB -1.990 28.471 30.300 0.268 0.000 1.249 439 R HN 0.551 nan 8.270 nan 0.000 0.476 440 Y N -0.433 120.038 120.300 0.285 0.000 2.330 440 Y HA 0.129 4.679 4.550 -0.000 0.000 0.336 440 Y C 1.697 177.431 175.900 -0.277 0.000 1.036 440 Y CA -0.181 57.968 58.100 0.081 0.000 1.125 440 Y CB 1.531 40.053 38.460 0.102 0.000 1.194 440 Y HN 0.188 nan 8.280 nan 0.000 0.469 441 S N 0.279 115.719 115.700 -0.432 0.000 2.527 441 S HA 0.023 4.493 4.470 -0.000 0.000 0.222 441 S C -0.095 174.263 174.600 -0.404 0.000 0.985 441 S CA 0.364 58.064 58.200 -0.833 0.000 0.921 441 S CB 0.174 63.055 63.200 -0.531 0.000 0.772 441 S HN 0.698 nan 8.310 nan 0.000 0.529 442 D N -0.481 119.776 120.400 -0.238 0.000 2.609 442 D HA 0.522 5.162 4.640 -0.000 0.000 0.239 442 D C -1.623 174.622 176.300 -0.091 0.000 1.229 442 D CA -0.776 53.048 54.000 -0.295 0.000 0.808 442 D CB 1.637 42.256 40.800 -0.301 0.000 1.448 442 D HN 0.232 nan 8.370 nan 0.000 0.433 443 Y N -1.637 118.711 120.300 0.082 0.000 2.581 443 Y HA 0.778 5.328 4.550 -0.000 0.000 0.345 443 Y C -2.695 173.331 175.900 0.210 0.000 1.036 443 Y CA -2.573 55.644 58.100 0.194 0.000 1.042 443 Y CB -0.155 38.400 38.460 0.159 0.000 1.289 443 Y HN 0.055 nan 8.280 nan 0.000 0.471 444 P HA 0.072 nan 4.420 nan 0.000 0.267 444 P C 0.046 177.522 177.300 0.293 0.000 1.200 444 P CA 0.228 63.509 63.100 0.301 0.000 0.772 444 P CB 0.843 32.719 31.700 0.293 0.000 0.855 445 D N 1.743 122.212 120.400 0.114 0.000 2.172 445 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 445 D C 1.847 178.150 176.300 0.004 0.000 0.999 445 D CA 1.925 55.969 54.000 0.074 0.000 0.856 445 D CB -0.669 40.133 40.800 0.004 0.000 0.934 445 D HN 0.389 nan 8.370 nan 0.000 0.453 446 A N -0.054 122.676 122.820 -0.150 0.000 2.024 446 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 446 A C 1.456 178.841 177.584 -0.331 0.000 1.164 446 A CA 1.009 52.866 52.037 -0.301 0.000 0.643 446 A CB -0.863 17.866 19.000 -0.451 0.000 0.806 446 A HN 0.295 nan 8.150 nan 0.000 0.451 447 Y N 0.195 120.493 120.300 -0.003 0.000 2.529 447 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 447 Y C 2.450 178.164 175.900 -0.311 0.000 1.177 447 Y CA 0.648 58.660 58.100 -0.146 0.000 1.305 447 Y CB -1.061 37.270 38.460 -0.215 0.000 1.047 447 Y HN 0.224 nan 8.280 nan 0.000 0.522 448 T N 0.302 114.845 114.554 -0.018 0.000 2.684 448 T HA -0.324 4.026 4.350 -0.000 0.000 0.267 448 T C 2.070 176.687 174.700 -0.139 0.000 1.036 448 T CA 1.874 63.979 62.100 0.009 0.000 1.148 448 T CB -0.283 68.636 68.868 0.086 0.000 0.863 448 T HN 0.447 nan 8.240 nan 0.000 0.436 449 M N -0.379 119.046 119.600 -0.292 0.000 2.065 449 M HA -0.137 4.343 4.480 -0.000 0.000 0.259 449 M C 1.990 178.129 176.300 -0.269 0.000 1.071 449 M CA 1.970 57.026 55.300 -0.407 0.000 1.109 449 M CB -0.311 31.832 32.600 -0.762 0.000 1.313 449 M HN 0.417 nan 8.290 nan 0.000 0.408 450 W N 0.457 121.737 121.300 -0.034 0.000 2.363 450 W HA -0.162 4.498 4.660 -0.000 0.000 0.296 450 W C 2.200 178.643 176.519 -0.126 0.000 1.212 450 W CA 0.255 57.583 57.345 -0.030 0.000 1.260 450 W CB -0.697 28.779 29.460 0.027 0.000 1.131 450 W HN 0.343 nan 8.180 nan 0.000 0.530 451 N N -0.132 118.540 118.700 -0.047 0.000 2.244 451 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 451 N C 1.503 176.982 175.510 -0.051 0.000 1.016 451 N CA 1.866 54.811 53.050 -0.175 0.000 0.866 451 N CB -0.465 37.727 38.487 -0.491 0.000 0.980 451 N HN 0.124 nan 8.380 nan 0.000 0.430 452 T N 1.887 116.427 114.554 -0.024 0.000 2.701 452 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 452 T C 2.145 176.848 174.700 0.005 0.000 1.040 452 T CA 0.578 62.674 62.100 -0.007 0.000 1.147 452 T CB -0.066 68.787 68.868 -0.025 0.000 0.865 452 T HN 0.158 nan 8.240 nan 0.000 0.426 453 I N 1.114 121.713 120.570 0.049 0.000 2.226 453 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 453 I C 2.818 178.960 176.117 0.041 0.000 1.100 453 I CA 1.039 62.390 61.300 0.084 0.000 1.374 453 I CB -0.437 37.691 38.000 0.213 0.000 1.057 453 I HN 0.260 nan 8.210 nan 0.000 0.413 454 S N 0.236 115.946 115.700 0.017 0.000 2.368 454 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 454 S C 2.200 176.747 174.600 -0.088 0.000 1.030 454 S CA 2.069 60.219 58.200 -0.083 0.000 0.999 454 S CB -0.150 62.973 63.200 -0.128 0.000 0.844 454 S HN 0.398 nan 8.310 nan 0.000 0.459 455 S N 1.085 116.769 115.700 -0.027 0.000 2.402 455 S HA 0.052 4.522 4.470 -0.000 0.000 0.229 455 S C 1.846 176.501 174.600 0.091 0.000 1.021 455 S CA 1.319 59.543 58.200 0.039 0.000 0.974 455 S CB -0.325 62.907 63.200 0.053 0.000 0.800 455 S HN 0.536 nan 8.310 nan 0.000 0.484 456 M N 0.818 120.426 119.600 0.014 0.000 2.132 456 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 456 M C 2.526 178.869 176.300 0.072 0.000 1.065 456 M CA 1.443 56.747 55.300 0.006 0.000 1.122 456 M CB -0.862 31.724 32.600 -0.023 0.000 1.365 456 M HN 0.443 nan 8.290 nan 0.000 0.411 457 G N 0.208 109.017 108.800 0.014 0.000 2.422 457 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 457 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 457 G C 1.640 176.525 174.900 -0.024 0.000 1.146 457 G CA 1.280 46.366 45.100 -0.024 0.000 0.769 457 G HN 0.566 nan 8.290 nan 0.000 0.547 458 S N -0.148 115.541 115.700 -0.019 0.000 2.423 458 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 458 S C 2.063 176.679 174.600 0.027 0.000 1.014 458 S CA 0.787 58.967 58.200 -0.033 0.000 0.965 458 S CB -0.519 62.649 63.200 -0.052 0.000 0.785 458 S HN 0.290 nan 8.310 nan 0.000 0.495 459 F N 1.403 121.327 119.950 -0.044 0.000 2.259 459 F HA 0.260 4.787 4.527 -0.000 0.000 0.298 459 F C 2.174 177.971 175.800 -0.005 0.000 1.088 459 F CA 0.658 58.647 58.000 -0.017 0.000 1.358 459 F CB -0.204 38.788 39.000 -0.013 0.000 1.040 459 F HN 0.181 nan 8.300 nan 0.000 0.505 460 I N -1.079 119.580 120.570 0.148 0.000 2.226 460 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 460 I C 2.358 178.508 176.117 0.055 0.000 1.100 460 I CA 1.120 62.472 61.300 0.087 0.000 1.374 460 I CB -0.566 37.469 38.000 0.058 0.000 1.057 460 I HN 0.000 nan 8.210 nan 0.000 0.413 461 S N 0.920 116.639 115.700 0.032 0.000 2.368 461 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 461 S C 1.923 176.542 174.600 0.032 0.000 1.030 461 S CA 1.208 59.430 58.200 0.038 0.000 0.999 461 S CB -0.397 62.823 63.200 0.034 0.000 0.844 461 S HN 0.331 nan 8.310 nan 0.000 0.459 462 L N 1.993 123.200 121.223 -0.026 0.000 2.042 462 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 462 L C 2.162 179.033 176.870 0.001 0.000 1.076 462 L CA 1.998 56.800 54.840 -0.062 0.000 0.749 462 L CB -1.505 40.430 42.059 -0.207 0.000 0.893 462 L HN 0.189 nan 8.230 nan 0.000 0.432 463 T N 0.031 114.603 114.554 0.031 0.000 2.759 463 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 463 T C 1.904 176.669 174.700 0.107 0.000 1.042 463 T CA 1.408 63.545 62.100 0.063 0.000 1.140 463 T CB -0.557 68.357 68.868 0.077 0.000 0.864 463 T HN 0.574 nan 8.240 nan 0.000 0.455 464 A N 0.827 123.722 122.820 0.126 0.000 1.898 464 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 464 A C 2.571 180.344 177.584 0.314 0.000 1.181 464 A CA 1.175 53.342 52.037 0.218 0.000 0.620 464 A CB -0.906 18.154 19.000 0.099 0.000 0.819 464 A HN 0.359 nan 8.150 nan 0.000 0.442 465 V N 0.109 120.138 119.914 0.192 0.000 2.343 465 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 465 V C 2.636 178.785 176.094 0.091 0.000 1.051 465 V CA 2.222 64.610 62.300 0.147 0.000 1.036 465 V CB -0.716 31.150 31.823 0.073 0.000 0.654 465 V HN 0.573 nan 8.190 nan 0.000 0.451 466 M N -1.031 118.612 119.600 0.071 0.000 2.175 466 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 466 M C 2.232 178.577 176.300 0.075 0.000 1.063 466 M CA 1.637 56.964 55.300 0.045 0.000 1.119 466 M CB -0.486 32.125 32.600 0.017 0.000 1.377 466 M HN 0.333 nan 8.290 nan 0.000 0.415 467 L N 0.676 121.969 121.223 0.117 0.000 2.083 467 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 467 L C 2.467 179.406 176.870 0.115 0.000 1.083 467 L CA 1.677 56.604 54.840 0.145 0.000 0.752 467 L CB -0.551 41.645 42.059 0.229 0.000 0.899 467 L HN 0.284 nan 8.230 nan 0.000 0.433 468 M N -1.757 117.859 119.600 0.027 0.000 2.108 468 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 468 M C 2.013 178.257 176.300 -0.095 0.000 1.066 468 M CA 2.028 57.201 55.300 -0.211 0.000 1.107 468 M CB -0.100 32.329 32.600 -0.286 0.000 1.356 468 M HN 0.163 nan 8.290 nan 0.000 0.406 469 V N 0.579 120.490 119.914 -0.005 0.000 2.343 469 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 469 V C 2.188 178.332 176.094 0.084 0.000 1.051 469 V CA 2.162 64.483 62.300 0.036 0.000 1.036 469 V CB -1.085 30.765 31.823 0.045 0.000 0.654 469 V HN 0.639 nan 8.190 nan 0.000 0.451 470 F N 0.710 120.635 119.950 -0.042 0.000 2.134 470 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 470 F C 2.080 177.875 175.800 -0.008 0.000 1.097 470 F CA 1.604 59.589 58.000 -0.024 0.000 1.264 470 F CB -0.334 38.565 39.000 -0.169 0.000 1.001 470 F HN 0.077 nan 8.300 nan 0.000 0.479 471 I N 0.330 120.632 120.570 -0.446 0.000 2.226 471 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 471 I C 2.411 178.290 176.117 -0.396 0.000 1.100 471 I CA 1.575 62.555 61.300 -0.533 0.000 1.374 471 I CB -0.514 37.343 38.000 -0.240 0.000 1.057 471 I HN 0.186 nan 8.210 nan 0.000 0.413 472 I N -0.555 119.885 120.570 -0.216 0.000 2.252 472 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 472 I C 2.457 178.584 176.117 0.017 0.000 1.102 472 I CA 1.438 62.659 61.300 -0.132 0.000 1.385 472 I CB -0.419 37.632 38.000 0.085 0.000 1.064 472 I HN 0.417 nan 8.210 nan 0.000 0.414 473 W N 2.238 123.467 121.300 -0.117 0.000 2.358 473 W HA -0.229 4.431 4.660 -0.000 0.000 0.303 473 W C 2.490 178.917 176.519 -0.153 0.000 1.208 473 W CA 1.665 58.980 57.345 -0.049 0.000 1.274 473 W CB -0.198 29.211 29.460 -0.084 0.000 1.138 473 W HN 0.047 nan 8.180 nan 0.000 0.515 474 E N 0.690 120.549 120.200 -0.567 0.000 2.118 474 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 474 E C 2.107 178.373 176.600 -0.558 0.000 0.992 474 E CA 1.704 57.639 56.400 -0.774 0.000 0.804 474 E CB -0.528 28.726 29.700 -0.742 0.000 0.741 474 E HN 0.331 nan 8.360 nan 0.000 0.458 475 A N 0.169 122.735 122.820 -0.424 0.000 1.877 475 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 475 A C 2.143 179.488 177.584 -0.398 0.000 1.186 475 A CA 1.278 53.112 52.037 -0.338 0.000 0.620 475 A CB -1.048 17.751 19.000 -0.335 0.000 0.822 475 A HN 0.320 nan 8.150 nan 0.000 0.443 476 F N -0.148 119.644 119.950 -0.263 0.000 2.293 476 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 476 F C 2.689 178.191 175.800 -0.497 0.000 1.086 476 F CA 0.648 58.455 58.000 -0.322 0.000 1.375 476 F CB 0.021 38.967 39.000 -0.091 0.000 1.045 476 F HN 0.291 nan 8.300 nan 0.000 0.516 477 A N -0.931 121.580 122.820 -0.515 0.000 1.898 477 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 477 A C 2.263 179.602 177.584 -0.407 0.000 1.183 477 A CA 1.731 53.406 52.037 -0.602 0.000 0.622 477 A CB -0.758 17.488 19.000 -1.256 0.000 0.824 477 A HN 0.250 nan 8.150 nan 0.000 0.444 478 S N -0.746 114.716 115.700 -0.397 0.000 2.414 478 S HA 0.039 4.509 4.470 -0.000 0.000 0.227 478 S C 0.420 174.872 174.600 -0.247 0.000 1.022 478 S CA 0.624 58.670 58.200 -0.257 0.000 0.958 478 S CB -0.148 62.933 63.200 -0.197 0.000 0.797 478 S HN 0.574 nan 8.310 nan 0.000 0.493 479 K N 1.120 121.264 120.400 -0.426 0.000 3.393 479 K HA -0.161 4.159 4.320 -0.000 0.000 0.272 479 K C -0.905 175.632 176.600 -0.106 0.000 1.004 479 K CA 0.270 56.237 56.287 -0.533 0.000 0.764 479 K CB -1.152 31.146 32.500 -0.337 0.000 1.373 479 K HN 0.351 nan 8.250 nan 0.000 0.458 480 R N 1.879 122.362 120.500 -0.028 0.000 2.248 480 R HA 0.097 4.437 4.340 -0.000 0.000 0.337 480 R C -0.126 176.303 176.300 0.215 0.000 1.106 480 R CA -0.225 55.923 56.100 0.080 0.000 0.959 480 R CB 0.456 30.783 30.300 0.044 0.000 1.075 480 R HN 0.256 nan 8.270 nan 0.000 0.480 481 E N 1.999 122.328 120.200 0.215 0.000 2.344 481 E HA 0.057 4.407 4.350 -0.000 0.000 0.270 481 E C -0.037 176.614 176.600 0.086 0.000 1.021 481 E CA -0.349 56.156 56.400 0.174 0.000 0.887 481 E CB 1.270 31.048 29.700 0.130 0.000 0.997 481 E HN 0.195 nan 8.360 nan 0.000 0.429 482 V N 4.856 124.801 119.914 0.051 0.000 2.763 482 V HA -0.081 4.039 4.120 -0.000 0.000 0.306 482 V C 1.140 177.254 176.094 0.033 0.000 1.059 482 V CA 0.652 62.975 62.300 0.038 0.000 1.138 482 V CB 0.465 32.312 31.823 0.039 0.000 0.940 482 V HN 0.698 nan 8.190 nan 0.000 0.489 483 L N 2.428 123.667 121.223 0.027 0.000 2.738 483 L HA 0.270 4.610 4.340 -0.000 0.000 0.178 483 L C 0.763 177.645 176.870 0.020 0.000 1.281 483 L CA 0.488 55.343 54.840 0.024 0.000 0.864 483 L CB 0.200 42.270 42.059 0.020 0.000 1.224 483 L HN 0.622 nan 8.230 nan 0.000 0.520 484 T N 0.631 115.187 114.554 0.004 0.000 2.885 484 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 484 T C -0.727 173.942 174.700 -0.052 0.000 1.019 484 T CA -0.320 61.774 62.100 -0.010 0.000 1.010 484 T CB 2.719 71.580 68.868 -0.012 0.000 1.022 484 T HN -0.180 nan 8.240 nan 0.000 0.466 485 V N 2.277 122.144 119.914 -0.078 0.000 2.638 485 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 485 V C -0.355 175.658 176.094 -0.136 0.000 1.052 485 V CA -0.960 61.223 62.300 -0.195 0.000 0.885 485 V CB 2.186 33.775 31.823 -0.390 0.000 0.999 485 V HN 0.821 nan 8.190 nan 0.000 0.424 486 D N 2.343 122.665 120.400 -0.130 0.000 2.348 486 D HA 0.523 5.163 4.640 -0.000 0.000 0.249 486 D C 0.803 177.012 176.300 -0.152 0.000 1.110 486 D CA -0.050 53.873 54.000 -0.129 0.000 0.967 486 D CB 1.219 41.923 40.800 -0.160 0.000 1.139 486 D HN 0.565 nan 8.370 nan 0.000 0.466 487 L N 0.615 121.749 121.223 -0.149 0.000 4.040 487 L HA -0.301 4.039 4.340 -0.000 0.000 0.410 487 L C 1.646 178.534 176.870 0.030 0.000 1.187 487 L CA 0.686 55.452 54.840 -0.124 0.000 0.956 487 L CB -2.466 39.385 42.059 -0.347 0.000 2.022 487 L HN 0.552 nan 8.230 nan 0.000 0.897 488 T N -5.151 109.439 114.554 0.059 0.000 2.929 488 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 488 T C 1.729 176.522 174.700 0.155 0.000 1.085 488 T CA 1.473 63.666 62.100 0.155 0.000 1.125 488 T CB -0.436 68.525 68.868 0.154 0.000 0.874 488 T HN 0.605 nan 8.240 nan 0.000 0.494 489 T N 0.601 115.212 114.554 0.095 0.000 2.929 489 T HA -0.078 4.272 4.350 -0.000 0.000 0.271 489 T C 1.680 176.445 174.700 0.108 0.000 1.085 489 T CA 1.387 63.542 62.100 0.091 0.000 1.125 489 T CB -0.871 68.028 68.868 0.053 0.000 0.874 489 T HN 0.658 nan 8.240 nan 0.000 0.494 490 T N -1.279 113.347 114.554 0.120 0.000 3.252 490 T HA 0.346 4.696 4.350 -0.000 0.000 0.286 490 T C 0.064 174.902 174.700 0.229 0.000 1.013 490 T CA -0.832 61.350 62.100 0.137 0.000 0.914 490 T CB -0.090 68.825 68.868 0.078 0.000 1.131 490 T HN 0.275 nan 8.240 nan 0.000 0.529 491 N N 1.362 120.247 118.700 0.309 0.000 2.716 491 N HA 0.174 4.914 4.740 -0.000 0.000 0.245 491 N C 0.364 176.162 175.510 0.480 0.000 1.495 491 N CA -0.266 53.071 53.050 0.478 0.000 0.759 491 N CB 1.717 40.589 38.487 0.641 0.000 1.261 491 N HN 0.054 nan 8.380 nan 0.000 0.515 492 L N 2.095 123.540 121.223 0.370 0.000 2.129 492 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 492 L C 2.451 179.542 176.870 0.369 0.000 1.087 492 L CA 2.013 57.057 54.840 0.341 0.000 0.757 492 L CB -0.119 42.105 42.059 0.275 0.000 0.896 492 L HN 0.437 nan 8.230 nan 0.000 0.434 493 E N -1.525 118.878 120.200 0.338 0.000 2.265 493 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 493 E C 1.712 178.385 176.600 0.121 0.000 0.996 493 E CA 1.691 58.217 56.400 0.210 0.000 0.832 493 E CB -0.907 28.842 29.700 0.082 0.000 0.756 493 E HN 0.716 nan 8.360 nan 0.000 0.491 494 W N 0.160 121.599 121.300 0.231 0.000 3.077 494 W HA 0.211 4.871 4.660 -0.000 0.000 0.266 494 W C 1.767 178.361 176.519 0.125 0.000 1.300 494 W CA -0.571 56.866 57.345 0.154 0.000 1.586 494 W CB -0.024 29.508 29.460 0.120 0.000 1.103 494 W HN 0.053 nan 8.180 nan 0.000 0.652 495 L N 1.133 122.562 121.223 0.343 0.000 2.450 495 L HA -0.084 4.256 4.340 -0.000 0.000 0.224 495 L C 1.199 178.148 176.870 0.132 0.000 1.149 495 L CA 1.595 56.572 54.840 0.228 0.000 0.816 495 L CB -0.614 41.582 42.059 0.228 0.000 0.932 495 L HN 0.025 nan 8.230 nan 0.000 0.449 496 N N -0.020 118.742 118.700 0.103 0.000 2.251 496 N HA 0.221 4.961 4.740 -0.000 0.000 0.217 496 N C 0.683 176.226 175.510 0.056 0.000 1.124 496 N CA 0.755 53.815 53.050 0.017 0.000 0.843 496 N CB 0.485 38.921 38.487 -0.084 0.000 1.024 496 N HN 0.343 nan 8.380 nan 0.000 0.501 497 G N 0.490 109.356 108.800 0.109 0.000 2.795 497 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.664 497 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.664 497 G C -0.750 174.212 174.900 0.104 0.000 1.381 497 G CA -0.746 44.416 45.100 0.104 0.000 0.853 497 G HN 0.294 nan 8.290 nan 0.000 0.545 498 C N 2.511 121.857 119.300 0.076 0.000 2.344 498 C HA 0.712 5.172 4.460 -0.000 0.000 0.326 498 C C -1.366 173.600 174.990 -0.040 0.000 1.201 498 C CA -0.861 58.173 59.018 0.026 0.000 1.410 498 C CB 1.101 28.874 27.740 0.055 0.000 2.070 498 C HN 0.829 nan 8.230 nan 0.000 0.445 499 P HA 0.401 nan 4.420 nan 0.000 0.279 499 P C -2.630 174.721 177.300 0.086 0.000 1.252 499 P CA -1.280 61.847 63.100 0.044 0.000 0.811 499 P CB 0.524 32.277 31.700 0.089 0.000 1.035 500 P HA 0.193 nan 4.420 nan 0.000 0.272 500 P C -2.261 175.073 177.300 0.056 0.000 1.230 500 P CA -1.365 61.790 63.100 0.091 0.000 0.788 500 P CB -1.024 30.751 31.700 0.125 0.000 0.949 501 P HA -0.030 nan 4.420 nan 0.000 0.272 501 P C 0.791 178.094 177.300 0.006 0.000 1.230 501 P CA -0.075 63.043 63.100 0.029 0.000 0.788 501 P CB 0.536 32.255 31.700 0.032 0.000 0.949 502 Y N 1.807 122.013 120.300 -0.156 0.000 2.062 502 Y HA -0.260 4.290 4.550 -0.000 0.000 0.276 502 Y C 0.969 176.678 175.900 -0.319 0.000 1.189 502 Y CA 1.806 59.722 58.100 -0.306 0.000 1.130 502 Y CB -0.528 37.695 38.460 -0.395 0.000 0.959 502 Y HN 0.435 nan 8.280 nan 0.000 0.499 503 H N -0.002 119.117 119.070 0.082 0.000 2.597 503 H HA 0.325 4.881 4.556 -0.000 0.000 0.303 503 H C -0.204 175.116 175.328 -0.013 0.000 1.057 503 H CA -0.244 55.816 56.048 0.020 0.000 1.261 503 H CB 0.791 30.598 29.762 0.076 0.000 1.397 503 H HN 0.067 nan 8.280 nan 0.000 0.461 504 T N -0.299 114.318 114.554 0.105 0.000 2.940 504 T HA 0.306 4.656 4.350 -0.000 0.000 0.288 504 T C -0.044 174.685 174.700 0.049 0.000 1.033 504 T CA -0.945 61.126 62.100 -0.048 0.000 1.033 504 T CB 0.972 69.767 68.868 -0.123 0.000 1.079 504 T HN 0.553 nan 8.240 nan 0.000 0.496 505 F N -0.467 119.518 119.950 0.059 0.000 3.091 505 F HA -0.202 4.325 4.527 -0.000 0.000 0.288 505 F C 1.288 177.099 175.800 0.018 0.000 0.907 505 F CA 0.457 58.479 58.000 0.036 0.000 1.028 505 F CB -2.461 36.551 39.000 0.020 0.000 1.022 505 F HN 0.802 nan 8.300 nan 0.000 0.665 506 E N 0.252 120.508 120.200 0.093 0.000 2.153 506 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 506 E C 1.084 177.716 176.600 0.054 0.000 0.988 506 E CA 1.334 57.760 56.400 0.044 0.000 0.811 506 E CB 0.075 29.773 29.700 -0.004 0.000 0.746 506 E HN 0.626 nan 8.360 nan 0.000 0.466 507 E N 1.816 122.059 120.200 0.072 0.000 2.092 507 E HA 0.147 4.497 4.350 -0.000 0.000 0.271 507 E C -2.380 174.311 176.600 0.150 0.000 0.919 507 E CA -2.666 53.783 56.400 0.082 0.000 0.760 507 E CB 0.949 30.686 29.700 0.062 0.000 1.106 507 E HN -0.164 nan 8.360 nan 0.000 0.408 508 P HA -0.015 nan 4.420 nan 0.000 0.271 508 P C -0.160 177.258 177.300 0.197 0.000 1.233 508 P CA -0.304 62.900 63.100 0.173 0.000 0.789 508 P CB 0.549 32.292 31.700 0.072 0.000 0.951 509 T N -1.039 113.639 114.554 0.207 0.000 2.856 509 T HA 0.097 4.447 4.350 -0.000 0.000 0.306 509 T C -0.377 174.426 174.700 0.171 0.000 1.062 509 T CA -0.211 62.013 62.100 0.207 0.000 1.083 509 T CB 0.027 68.991 68.868 0.160 0.000 0.984 509 T HN 0.394 nan 8.240 nan 0.000 0.542 510 Y N 1.531 121.870 120.300 0.064 0.000 2.353 510 Y HA 0.551 5.101 4.550 -0.000 0.000 0.340 510 Y C -1.271 174.649 175.900 0.034 0.000 0.972 510 Y CA -1.221 56.904 58.100 0.041 0.000 1.157 510 Y CB 0.820 39.304 38.460 0.040 0.000 1.157 510 Y HN 0.581 nan 8.280 nan 0.000 0.495 511 V N 6.646 126.381 119.914 -0.298 0.000 2.482 511 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 511 V C -0.527 175.360 176.094 -0.345 0.000 1.026 511 V CA -1.257 60.931 62.300 -0.188 0.000 0.856 511 V CB 1.443 33.219 31.823 -0.078 0.000 1.001 511 V HN 0.852 nan 8.190 nan 0.000 0.424 512 N N 2.908 121.457 118.700 -0.252 0.000 2.479 512 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 512 N C 0.676 176.130 175.510 -0.093 0.000 1.232 512 N CA -0.456 52.490 53.050 -0.172 0.000 0.920 512 N CB 0.951 39.443 38.487 0.009 0.000 1.105 512 N HN 0.554 nan 8.380 nan 0.000 0.444 513 L N 1.679 122.855 121.223 -0.078 0.000 2.354 513 L HA 0.182 4.522 4.340 -0.000 0.000 0.212 513 L C 0.305 177.165 176.870 -0.016 0.000 1.091 513 L CA 1.234 56.047 54.840 -0.045 0.000 0.828 513 L CB -0.535 41.497 42.059 -0.046 0.000 0.973 513 L HN 0.697 nan 8.230 nan 0.000 0.461 514 K N 0.000 120.396 120.400 -0.007 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.009 0.000 0.838 514 K CB 0.000 32.508 32.500 0.013 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543