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 3abm_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 0.000 175.822 175.800 0.037 0.000 0.967 2 F CA 0.000 58.057 58.000 0.094 0.000 1.383 2 F CB 0.000 39.054 39.000 0.091 0.000 1.145 3 I N 1.991 122.598 120.570 0.062 0.000 2.194 3 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 3 I C 1.819 177.555 176.117 -0.634 0.000 1.093 3 I CA 1.850 62.977 61.300 -0.287 0.000 1.355 3 I CB -0.531 37.283 38.000 -0.310 0.000 1.046 3 I HN 0.327 nan 8.210 nan 0.000 0.413 4 N N 0.435 118.858 118.700 -0.462 0.000 2.188 4 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 4 N C 1.930 177.267 175.510 -0.289 0.000 1.018 4 N CA 1.163 54.011 53.050 -0.337 0.000 0.858 4 N CB -0.290 38.115 38.487 -0.136 0.000 0.989 4 N HN 0.359 nan 8.380 nan 0.000 0.426 5 R N -0.853 119.402 120.500 -0.408 0.000 2.062 5 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 5 R C 1.387 177.209 176.300 -0.796 0.000 1.125 5 R CA 1.108 56.816 56.100 -0.653 0.000 0.966 5 R CB -0.076 29.676 30.300 -0.913 0.000 0.861 5 R HN 0.212 nan 8.270 nan 0.000 0.433 6 W N -0.924 120.142 121.300 -0.390 0.000 2.996 6 W HA 0.177 4.837 4.660 -0.000 0.000 0.270 6 W C 1.094 177.575 176.519 -0.064 0.000 1.280 6 W CA -0.509 56.628 57.345 -0.346 0.000 1.549 6 W CB 0.441 29.468 29.460 -0.722 0.000 1.079 6 W HN 0.083 nan 8.180 nan 0.000 0.629 7 L N -1.613 119.621 121.223 0.019 0.000 2.575 7 L HA 0.199 4.539 4.340 -0.000 0.000 0.228 7 L C 0.731 177.776 176.870 0.291 0.000 1.075 7 L CA 0.853 55.739 54.840 0.077 0.000 0.867 7 L CB -0.414 41.490 42.059 -0.260 0.000 1.097 7 L HN -0.160 nan 8.230 nan 0.000 0.485 8 F N -1.144 118.789 119.950 -0.028 0.000 2.772 8 F HA 0.392 4.919 4.527 -0.000 0.000 0.302 8 F C 1.244 177.026 175.800 -0.029 0.000 1.136 8 F CA -1.145 56.834 58.000 -0.036 0.000 1.322 8 F CB -0.992 37.970 39.000 -0.064 0.000 0.967 8 F HN -0.200 nan 8.300 nan 0.000 0.513 9 S N 0.895 116.683 115.700 0.147 0.000 2.568 9 S HA 0.204 4.674 4.470 -0.000 0.000 0.282 9 S C 1.113 175.729 174.600 0.027 0.000 1.338 9 S CA 0.592 58.792 58.200 0.000 0.000 1.045 9 S CB 0.393 63.537 63.200 -0.093 0.000 0.873 9 S HN 0.480 nan 8.310 nan 0.000 0.516 10 T N 1.150 115.694 114.554 -0.017 0.000 3.393 10 T HA 0.308 4.658 4.350 -0.000 0.000 0.298 10 T C -0.190 174.457 174.700 -0.088 0.000 1.004 10 T CA -0.708 61.382 62.100 -0.017 0.000 0.956 10 T CB -0.504 68.375 68.868 0.018 0.000 1.182 10 T HN 0.546 nan 8.240 nan 0.000 0.497 11 N N 1.163 119.742 118.700 -0.201 0.000 2.362 11 N HA 0.182 4.922 4.740 -0.000 0.000 0.298 11 N C 0.874 176.148 175.510 -0.394 0.000 1.048 11 N CA -0.325 52.490 53.050 -0.392 0.000 0.858 11 N CB 1.603 39.640 38.487 -0.751 0.000 1.218 11 N HN 0.552 nan 8.380 nan 0.000 0.488 12 H N 2.608 121.426 119.070 -0.421 0.000 2.462 12 H HA 0.122 4.678 4.556 -0.000 0.000 0.292 12 H C 1.049 176.014 175.328 -0.605 0.000 1.049 12 H CA 1.123 56.934 56.048 -0.394 0.000 1.334 12 H CB 0.344 29.918 29.762 -0.314 0.000 1.404 12 H HN 0.493 nan 8.280 nan 0.000 0.544 13 K N 0.427 119.931 120.400 -1.494 0.000 2.031 13 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 13 K C 1.485 177.356 176.600 -1.215 0.000 1.049 13 K CA 1.291 56.431 56.287 -1.912 0.000 0.939 13 K CB 0.085 31.353 32.500 -2.054 0.000 0.717 13 K HN 0.233 nan 8.250 nan 0.000 0.438 14 D N 1.235 121.179 120.400 -0.759 0.000 2.117 14 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 14 D C 1.872 178.030 176.300 -0.238 0.000 0.987 14 D CA 1.005 54.781 54.000 -0.373 0.000 0.829 14 D CB -0.174 40.294 40.800 -0.553 0.000 0.961 14 D HN 0.133 nan 8.370 nan 0.000 0.460 15 I N 0.770 121.156 120.570 -0.307 0.000 2.286 15 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 15 I C 2.486 178.544 176.117 -0.099 0.000 1.115 15 I CA 1.180 62.338 61.300 -0.236 0.000 1.392 15 I CB -0.379 37.548 38.000 -0.122 0.000 1.065 15 I HN 0.024 nan 8.210 nan 0.000 0.418 16 G N 0.101 108.804 108.800 -0.162 0.000 2.440 16 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 16 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 16 G C 1.656 176.631 174.900 0.125 0.000 1.154 16 G CA 1.527 46.615 45.100 -0.019 0.000 0.767 16 G HN 0.282 nan 8.290 nan 0.000 0.552 17 T N 1.215 115.828 114.554 0.097 0.000 2.777 17 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 17 T C 2.439 177.163 174.700 0.040 0.000 1.040 17 T CA 0.817 63.037 62.100 0.200 0.000 1.141 17 T CB -0.203 68.836 68.868 0.284 0.000 0.868 17 T HN 0.157 nan 8.240 nan 0.000 0.444 18 L N -0.353 120.778 121.223 -0.153 0.000 1.990 18 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 18 L C 2.413 179.107 176.870 -0.293 0.000 1.072 18 L CA 1.751 56.265 54.840 -0.544 0.000 0.755 18 L CB -0.680 40.513 42.059 -1.444 0.000 0.889 18 L HN 0.272 nan 8.230 nan 0.000 0.432 19 Y N -0.103 120.097 120.300 -0.165 0.000 2.207 19 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 19 Y C 2.401 178.452 175.900 0.251 0.000 1.156 19 Y CA 1.355 59.580 58.100 0.209 0.000 1.182 19 Y CB -0.396 38.159 38.460 0.158 0.000 0.979 19 Y HN 0.090 nan 8.280 nan 0.000 0.521 20 L N -1.164 120.239 121.223 0.301 0.000 2.056 20 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 20 L C 2.191 179.205 176.870 0.240 0.000 1.078 20 L CA 0.987 55.956 54.840 0.215 0.000 0.749 20 L CB -0.655 41.480 42.059 0.125 0.000 0.901 20 L HN 0.215 nan 8.230 nan 0.000 0.433 21 L N -1.264 120.090 121.223 0.218 0.000 2.046 21 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 21 L C 2.558 179.608 176.870 0.299 0.000 1.077 21 L CA 1.347 56.311 54.840 0.206 0.000 0.747 21 L CB -0.619 41.502 42.059 0.104 0.000 0.896 21 L HN 0.157 nan 8.230 nan 0.000 0.432 22 F N 0.980 121.070 119.950 0.233 0.000 2.102 22 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 22 F C 2.249 178.282 175.800 0.389 0.000 1.105 22 F CA 1.690 59.878 58.000 0.314 0.000 1.239 22 F CB -0.493 38.726 39.000 0.365 0.000 0.991 22 F HN -0.022 nan 8.300 nan 0.000 0.474 23 G N -0.392 108.745 108.800 0.562 0.000 2.408 23 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 23 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 23 G C 1.771 176.810 174.900 0.232 0.000 1.150 23 G CA 0.690 46.037 45.100 0.412 0.000 0.776 23 G HN 0.605 nan 8.290 nan 0.000 0.542 24 A N -0.185 122.758 122.820 0.205 0.000 1.930 24 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 24 A C 2.136 179.807 177.584 0.145 0.000 1.175 24 A CA 1.500 53.608 52.037 0.119 0.000 0.627 24 A CB -0.651 18.405 19.000 0.092 0.000 0.815 24 A HN 0.537 nan 8.150 nan 0.000 0.443 25 W N 0.548 121.848 121.300 -0.000 0.000 2.381 25 W HA -0.058 4.602 4.660 -0.000 0.000 0.301 25 W C 2.487 179.007 176.519 0.001 0.000 1.205 25 W CA 2.000 59.326 57.345 -0.031 0.000 1.285 25 W CB -0.151 29.259 29.460 -0.085 0.000 1.133 25 W HN 0.348 nan 8.180 nan 0.000 0.521 26 A N 0.527 123.490 122.820 0.238 0.000 1.940 26 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 26 A C 2.212 179.837 177.584 0.069 0.000 1.176 26 A CA 2.063 54.235 52.037 0.226 0.000 0.631 26 A CB -1.716 17.394 19.000 0.183 0.000 0.814 26 A HN 0.417 nan 8.150 nan 0.000 0.446 27 G N -1.058 107.776 108.800 0.056 0.000 2.450 27 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 27 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 27 G C 1.441 176.323 174.900 -0.030 0.000 1.130 27 G CA 1.373 46.489 45.100 0.027 0.000 0.760 27 G HN 0.365 nan 8.290 nan 0.000 0.557 28 M N 0.305 119.831 119.600 -0.122 0.000 2.200 28 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 28 M C 2.773 178.949 176.300 -0.207 0.000 1.066 28 M CA 0.529 55.717 55.300 -0.186 0.000 1.127 28 M CB -1.021 31.393 32.600 -0.310 0.000 1.379 28 M HN 0.109 nan 8.290 nan 0.000 0.420 29 V N 0.292 120.042 119.914 -0.272 0.000 2.343 29 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 29 V C 2.586 178.681 176.094 0.002 0.000 1.051 29 V CA 2.116 64.319 62.300 -0.163 0.000 1.036 29 V CB -1.693 30.091 31.823 -0.065 0.000 0.654 29 V HN 0.552 nan 8.190 nan 0.000 0.451 30 G N -0.927 107.903 108.800 0.050 0.000 2.421 30 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 30 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 30 G C 1.675 176.670 174.900 0.158 0.000 1.143 30 G CA 1.286 46.464 45.100 0.129 0.000 0.784 30 G HN 0.466 nan 8.290 nan 0.000 0.541 31 T N 1.633 116.225 114.554 0.063 0.000 2.737 31 T HA 0.043 4.393 4.350 -0.000 0.000 0.265 31 T C 2.846 177.533 174.700 -0.023 0.000 1.038 31 T CA 1.384 63.502 62.100 0.030 0.000 1.144 31 T CB -0.329 68.534 68.868 -0.007 0.000 0.866 31 T HN 0.341 nan 8.240 nan 0.000 0.434 32 A N 1.226 124.019 122.820 -0.044 0.000 1.908 32 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 32 A C 2.299 179.862 177.584 -0.035 0.000 1.181 32 A CA 1.279 53.278 52.037 -0.063 0.000 0.627 32 A CB -0.908 18.047 19.000 -0.074 0.000 0.818 32 A HN 0.466 nan 8.150 nan 0.000 0.445 33 L N 0.242 121.476 121.223 0.018 0.000 2.046 33 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 33 L C 3.059 179.885 176.870 -0.074 0.000 1.077 33 L CA 1.689 56.547 54.840 0.030 0.000 0.747 33 L CB -0.423 41.722 42.059 0.142 0.000 0.896 33 L HN 0.630 nan 8.230 nan 0.000 0.432 34 S N -0.326 115.300 115.700 -0.123 0.000 2.402 34 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 34 S C 1.911 176.408 174.600 -0.173 0.000 1.021 34 S CA 0.849 58.859 58.200 -0.318 0.000 0.974 34 S CB -0.411 62.657 63.200 -0.221 0.000 0.800 34 S HN 0.304 nan 8.310 nan 0.000 0.484 35 L N 0.572 121.713 121.223 -0.137 0.000 2.179 35 L HA 0.221 4.561 4.340 -0.000 0.000 0.208 35 L C 2.478 179.306 176.870 -0.070 0.000 1.096 35 L CA 0.716 55.458 54.840 -0.163 0.000 0.779 35 L CB -0.390 41.507 42.059 -0.270 0.000 0.922 35 L HN 0.302 nan 8.230 nan 0.000 0.443 36 L N -0.826 120.371 121.223 -0.044 0.000 2.083 36 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 36 L C 2.374 179.285 176.870 0.068 0.000 1.083 36 L CA 1.342 56.192 54.840 0.017 0.000 0.752 36 L CB -0.403 41.662 42.059 0.010 0.000 0.899 36 L HN 0.219 nan 8.230 nan 0.000 0.433 37 I N -0.770 119.812 120.570 0.021 0.000 2.127 37 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 37 I C 2.614 178.847 176.117 0.193 0.000 1.075 37 I CA 1.277 62.649 61.300 0.121 0.000 1.334 37 I CB -0.321 37.668 38.000 -0.018 0.000 1.040 37 I HN 0.236 nan 8.210 nan 0.000 0.405 38 R N 0.509 121.069 120.500 0.100 0.000 2.200 38 R HA 0.119 4.459 4.340 -0.000 0.000 0.208 38 R C 2.207 178.615 176.300 0.180 0.000 1.033 38 R CA 0.992 57.165 56.100 0.122 0.000 1.000 38 R CB -0.298 30.043 30.300 0.068 0.000 0.906 38 R HN 0.341 nan 8.270 nan 0.000 0.462 39 A N 1.245 124.181 122.820 0.192 0.000 1.873 39 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 39 A C 2.086 179.763 177.584 0.155 0.000 1.186 39 A CA 1.580 53.744 52.037 0.212 0.000 0.616 39 A CB -0.289 18.823 19.000 0.186 0.000 0.823 39 A HN 0.202 nan 8.150 nan 0.000 0.442 40 E N 0.398 120.699 120.200 0.168 0.000 2.085 40 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 40 E C 1.616 178.282 176.600 0.111 0.000 0.994 40 E CA 1.404 57.888 56.400 0.141 0.000 0.801 40 E CB -0.407 29.428 29.700 0.225 0.000 0.743 40 E HN 0.588 nan 8.360 nan 0.000 0.453 41 L N -0.868 120.459 121.223 0.174 0.000 2.554 41 L HA 0.202 4.542 4.340 -0.000 0.000 0.226 41 L C 2.024 179.031 176.870 0.228 0.000 1.137 41 L CA 0.504 55.485 54.840 0.234 0.000 0.863 41 L CB -0.031 42.159 42.059 0.218 0.000 0.985 41 L HN 0.220 nan 8.230 nan 0.000 0.451 42 G N -0.879 108.009 108.800 0.147 0.000 2.880 42 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.209 42 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.209 42 G C 0.485 175.442 174.900 0.095 0.000 1.157 42 G CA 0.011 45.172 45.100 0.101 0.000 0.779 42 G HN 0.316 nan 8.290 nan 0.000 0.539 43 Q N 0.304 120.166 119.800 0.104 0.000 2.309 43 Q HA 0.337 4.677 4.340 -0.000 0.000 0.273 43 Q C -2.914 173.075 176.000 -0.018 0.000 1.040 43 Q CA -2.110 53.729 55.803 0.060 0.000 0.834 43 Q CB 3.268 32.012 28.738 0.011 0.000 1.345 43 Q HN -0.024 nan 8.270 nan 0.000 0.414 44 P HA 0.278 nan 4.420 nan 0.000 0.269 44 P C 0.051 177.225 177.300 -0.210 0.000 1.209 44 P CA 0.892 63.803 63.100 -0.315 0.000 0.776 44 P CB 0.745 32.353 31.700 -0.154 0.000 0.876 45 G N 1.151 109.798 108.800 -0.254 0.000 2.541 45 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 45 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 45 G C -1.015 173.798 174.900 -0.146 0.000 1.286 45 G CA -0.860 44.147 45.100 -0.156 0.000 0.894 45 G HN 0.587 nan 8.290 nan 0.000 0.575 46 T N 0.960 115.455 114.554 -0.099 0.000 2.767 46 T HA 0.463 4.813 4.350 -0.000 0.000 0.288 46 T C 1.335 176.013 174.700 -0.037 0.000 0.963 46 T CA 0.422 62.477 62.100 -0.076 0.000 1.019 46 T CB 1.524 70.356 68.868 -0.061 0.000 0.923 46 T HN 0.969 nan 8.240 nan 0.000 0.468 47 L N 4.427 125.641 121.223 -0.014 0.000 2.262 47 L HA 0.415 4.755 4.340 -0.000 0.000 0.197 47 L C 1.636 178.526 176.870 0.034 0.000 1.073 47 L CA 1.214 56.064 54.840 0.016 0.000 0.800 47 L CB -0.209 41.873 42.059 0.038 0.000 0.987 47 L HN 0.616 nan 8.230 nan 0.000 0.470 48 L N -1.084 120.172 121.223 0.056 0.000 2.253 48 L HA 0.485 4.825 4.340 -0.000 0.000 0.205 48 L C 1.112 178.018 176.870 0.060 0.000 1.078 48 L CA 0.401 55.285 54.840 0.073 0.000 0.805 48 L CB -0.202 41.927 42.059 0.116 0.000 0.963 48 L HN 0.488 nan 8.230 nan 0.000 0.459 49 G N -0.270 108.560 108.800 0.051 0.000 2.356 49 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.266 49 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.266 49 G C -1.746 173.175 174.900 0.034 0.000 1.312 49 G CA -0.098 45.025 45.100 0.038 0.000 0.922 49 G HN 0.146 nan 8.290 nan 0.000 0.480 50 D N -0.604 119.816 120.400 0.033 0.000 2.403 50 D HA 0.351 4.991 4.640 -0.000 0.000 0.278 50 D C 0.651 176.985 176.300 0.056 0.000 1.230 50 D CA 0.225 54.234 54.000 0.015 0.000 1.062 50 D CB 0.272 41.074 40.800 0.004 0.000 1.119 50 D HN 0.184 nan 8.370 nan 0.000 0.557 51 D N -1.587 118.842 120.400 0.049 0.000 2.317 51 D HA -0.103 4.537 4.640 -0.000 0.000 0.211 51 D C 1.722 178.131 176.300 0.180 0.000 0.966 51 D CA 0.659 54.735 54.000 0.126 0.000 0.876 51 D CB -0.015 40.837 40.800 0.087 0.000 0.927 51 D HN 0.417 nan 8.370 nan 0.000 0.519 52 Q N 1.219 121.092 119.800 0.122 0.000 1.993 52 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 52 Q C 2.132 178.217 176.000 0.142 0.000 0.984 52 Q CA 1.108 56.986 55.803 0.126 0.000 0.837 52 Q CB -0.482 28.301 28.738 0.075 0.000 0.902 52 Q HN 0.325 nan 8.270 nan 0.000 0.423 53 I N -0.277 120.371 120.570 0.129 0.000 2.286 53 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 53 I C 1.962 178.161 176.117 0.136 0.000 1.115 53 I CA 1.325 62.698 61.300 0.122 0.000 1.392 53 I CB -0.174 37.888 38.000 0.104 0.000 1.065 53 I HN 0.467 nan 8.210 nan 0.000 0.418 54 Y N 1.929 122.274 120.300 0.075 0.000 2.128 54 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 54 Y C 2.257 178.218 175.900 0.103 0.000 1.154 54 Y CA 2.124 60.275 58.100 0.085 0.000 1.149 54 Y CB -0.258 38.252 38.460 0.083 0.000 0.976 54 Y HN 0.219 nan 8.280 nan 0.000 0.505 55 N N -0.295 118.454 118.700 0.082 0.000 2.446 55 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 55 N C 1.813 177.330 175.510 0.012 0.000 1.054 55 N CA 0.982 54.035 53.050 0.005 0.000 0.905 55 N CB 0.022 38.600 38.487 0.151 0.000 0.973 55 N HN 0.285 nan 8.380 nan 0.000 0.448 56 V N 0.618 120.568 119.914 0.060 0.000 2.332 56 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 56 V C 2.368 178.494 176.094 0.053 0.000 1.055 56 V CA 1.209 63.558 62.300 0.081 0.000 1.038 56 V CB -0.389 31.498 31.823 0.107 0.000 0.651 56 V HN 0.051 nan 8.190 nan 0.000 0.450 57 V N -0.502 119.405 119.914 -0.012 0.000 2.307 57 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 57 V C 2.412 178.482 176.094 -0.041 0.000 1.045 57 V CA 1.787 64.070 62.300 -0.029 0.000 1.024 57 V CB -0.298 31.471 31.823 -0.090 0.000 0.651 57 V HN 0.398 nan 8.190 nan 0.000 0.449 58 V N 0.114 119.929 119.914 -0.165 0.000 2.252 58 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 58 V C 2.584 178.692 176.094 0.023 0.000 1.056 58 V CA 2.815 65.067 62.300 -0.080 0.000 1.022 58 V CB -1.185 30.543 31.823 -0.158 0.000 0.641 58 V HN 0.631 nan 8.190 nan 0.000 0.445 59 T N 0.384 114.937 114.554 -0.001 0.000 2.652 59 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 59 T C 2.041 176.753 174.700 0.020 0.000 1.039 59 T CA 1.816 63.891 62.100 -0.041 0.000 1.153 59 T CB -0.519 68.364 68.868 0.025 0.000 0.863 59 T HN 0.588 nan 8.240 nan 0.000 0.428 60 A N 1.249 124.169 122.820 0.165 0.000 1.898 60 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 60 A C 1.999 179.702 177.584 0.198 0.000 1.181 60 A CA 2.262 54.460 52.037 0.269 0.000 0.620 60 A CB -1.056 18.087 19.000 0.239 0.000 0.819 60 A HN 0.712 nan 8.150 nan 0.000 0.442 61 H N 0.433 119.534 119.070 0.052 0.000 2.289 61 H HA -0.137 4.419 4.556 -0.000 0.000 0.294 61 H C 2.063 177.372 175.328 -0.032 0.000 1.095 61 H CA 2.716 58.776 56.048 0.021 0.000 1.256 61 H CB -0.447 29.319 29.762 0.006 0.000 1.359 61 H HN 0.364 nan 8.280 nan 0.000 0.487 62 A N -0.357 122.260 122.820 -0.339 0.000 1.898 62 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 62 A C 2.258 179.606 177.584 -0.394 0.000 1.181 62 A CA 1.316 52.992 52.037 -0.601 0.000 0.620 62 A CB -0.947 17.655 19.000 -0.663 0.000 0.819 62 A HN 0.445 nan 8.150 nan 0.000 0.442 63 F N -0.061 119.841 119.950 -0.079 0.000 2.113 63 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 63 F C 2.522 178.234 175.800 -0.147 0.000 1.103 63 F CA 1.154 59.181 58.000 0.044 0.000 1.248 63 F CB -0.871 38.176 39.000 0.078 0.000 0.999 63 F HN 0.016 nan 8.300 nan 0.000 0.475 64 V N -0.312 119.658 119.914 0.093 0.000 2.332 64 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 64 V C 2.482 178.538 176.094 -0.065 0.000 1.055 64 V CA 1.537 63.856 62.300 0.033 0.000 1.038 64 V CB -0.503 31.402 31.823 0.136 0.000 0.651 64 V HN 0.237 nan 8.190 nan 0.000 0.450 65 M N -1.162 118.338 119.600 -0.167 0.000 2.156 65 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 65 M C 2.143 178.301 176.300 -0.237 0.000 1.067 65 M CA 1.839 57.023 55.300 -0.193 0.000 1.131 65 M CB -0.826 31.576 32.600 -0.329 0.000 1.368 65 M HN 0.271 nan 8.290 nan 0.000 0.416 66 I N -0.929 119.416 120.570 -0.376 0.000 2.141 66 I HA -0.271 3.899 4.170 -0.000 0.000 0.236 66 I C 2.022 177.852 176.117 -0.478 0.000 1.071 66 I CA 1.420 62.402 61.300 -0.530 0.000 1.345 66 I CB -0.375 37.121 38.000 -0.841 0.000 1.066 66 I HN 0.066 nan 8.210 nan 0.000 0.406 67 F N -0.624 119.139 119.950 -0.312 0.000 2.512 67 F HA 0.001 4.528 4.527 -0.000 0.000 0.296 67 F C 1.715 177.318 175.800 -0.328 0.000 1.110 67 F CA 0.788 58.557 58.000 -0.386 0.000 1.446 67 F CB -0.098 38.502 39.000 -0.668 0.000 1.092 67 F HN -0.047 nan 8.300 nan 0.000 0.554 68 F N -2.404 117.657 119.950 0.185 0.000 2.694 68 F HA 0.185 4.712 4.527 -0.000 0.000 0.292 68 F C 1.953 177.890 175.800 0.229 0.000 1.121 68 F CA 0.126 58.257 58.000 0.219 0.000 1.352 68 F CB -0.285 38.566 39.000 -0.248 0.000 1.107 68 F HN -0.105 nan 8.300 nan 0.000 0.597 69 M N -0.537 119.188 119.600 0.208 0.000 3.101 69 M HA 0.130 4.610 4.480 -0.000 0.000 0.236 69 M C 1.941 178.331 176.300 0.149 0.000 1.538 69 M CA 1.101 56.512 55.300 0.185 0.000 1.309 69 M CB -0.476 32.180 32.600 0.093 0.000 1.141 69 M HN -0.079 nan 8.290 nan 0.000 0.579 70 V N 1.762 121.700 119.914 0.039 0.000 2.261 70 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 70 V C 2.538 178.664 176.094 0.053 0.000 1.047 70 V CA 2.189 64.500 62.300 0.018 0.000 1.015 70 V CB -0.723 31.048 31.823 -0.087 0.000 0.642 70 V HN 0.490 nan 8.190 nan 0.000 0.446 71 M N -0.703 118.910 119.600 0.021 0.000 2.156 71 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 71 M C -0.160 176.207 176.300 0.113 0.000 1.067 71 M CA 1.973 57.295 55.300 0.038 0.000 1.131 71 M CB -1.382 31.223 32.600 0.009 0.000 1.368 71 M HN 0.283 nan 8.290 nan 0.000 0.416 72 P HA -0.109 nan 4.420 nan 0.000 0.216 72 P C 1.386 178.815 177.300 0.215 0.000 1.153 72 P CA 1.296 64.564 63.100 0.279 0.000 0.848 72 P CB -0.097 31.950 31.700 0.579 0.000 0.787 73 I N -1.724 119.000 120.570 0.258 0.000 2.113 73 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 73 I C 2.440 178.754 176.117 0.327 0.000 1.070 73 I CA 1.750 63.204 61.300 0.256 0.000 1.332 73 I CB -0.545 37.620 38.000 0.276 0.000 1.044 73 I HN -0.092 nan 8.210 nan 0.000 0.402 74 M N -0.155 119.635 119.600 0.317 0.000 2.132 74 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 74 M C 2.198 178.648 176.300 0.251 0.000 1.065 74 M CA 2.046 57.557 55.300 0.351 0.000 1.122 74 M CB -0.201 32.512 32.600 0.189 0.000 1.365 74 M HN 0.211 nan 8.290 nan 0.000 0.411 75 I N -1.403 119.216 120.570 0.081 0.000 2.899 75 I HA 0.055 4.225 4.170 -0.000 0.000 0.257 75 I C 2.541 178.624 176.117 -0.055 0.000 1.115 75 I CA 0.733 62.004 61.300 -0.049 0.000 1.451 75 I CB -0.604 37.350 38.000 -0.077 0.000 1.251 75 I HN 0.245 nan 8.210 nan 0.000 0.456 76 G N 0.383 108.995 108.800 -0.314 0.000 2.421 76 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 76 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 76 G C 1.542 176.178 174.900 -0.441 0.000 1.143 76 G CA 0.839 45.363 45.100 -0.961 0.000 0.784 76 G HN 0.471 nan 8.290 nan 0.000 0.541 77 G N 0.457 109.196 108.800 -0.101 0.000 2.572 77 G HA2 0.083 4.043 3.960 -0.000 0.000 0.214 77 G HA3 0.083 4.043 3.960 -0.000 0.000 0.214 77 G C 1.485 176.404 174.900 0.032 0.000 1.246 77 G CA 0.328 45.437 45.100 0.015 0.000 0.835 77 G HN 0.282 nan 8.290 nan 0.000 0.551 78 F N 1.778 121.821 119.950 0.155 0.000 2.171 78 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 78 F C 2.936 178.865 175.800 0.216 0.000 1.090 78 F CA 0.894 58.960 58.000 0.110 0.000 1.293 78 F CB -0.363 38.629 39.000 -0.013 0.000 1.013 78 F HN 0.230 nan 8.300 nan 0.000 0.486 79 G N 0.162 109.223 108.800 0.435 0.000 2.459 79 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 79 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 79 G C 1.651 176.852 174.900 0.502 0.000 1.183 79 G CA 1.061 46.348 45.100 0.312 0.000 0.776 79 G HN 0.233 nan 8.290 nan 0.000 0.552 80 N N -0.099 118.858 118.700 0.429 0.000 2.120 80 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 80 N C 1.938 177.572 175.510 0.208 0.000 1.024 80 N CA 0.957 54.154 53.050 0.244 0.000 0.852 80 N CB -0.311 38.225 38.487 0.082 0.000 1.003 80 N HN 0.550 nan 8.380 nan 0.000 0.424 81 W N 1.416 122.720 121.300 0.007 0.000 2.355 81 W HA 0.004 4.664 4.660 -0.000 0.000 0.309 81 W C 2.134 178.699 176.519 0.077 0.000 1.206 81 W CA 0.750 58.033 57.345 -0.102 0.000 1.284 81 W CB -0.256 28.858 29.460 -0.576 0.000 1.145 81 W HN 0.016 nan 8.180 nan 0.000 0.502 82 L N -1.926 119.498 121.223 0.335 0.000 2.316 82 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 82 L C 2.031 179.024 176.870 0.205 0.000 1.070 82 L CA 0.114 55.063 54.840 0.182 0.000 0.820 82 L CB -1.044 40.937 42.059 -0.130 0.000 0.992 82 L HN -0.229 nan 8.230 nan 0.000 0.466 83 V N 0.932 120.998 119.914 0.254 0.000 2.307 83 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 83 V C -0.322 175.788 176.094 0.027 0.000 1.045 83 V CA 2.051 64.453 62.300 0.170 0.000 1.024 83 V CB -1.242 30.705 31.823 0.206 0.000 0.651 83 V HN 0.292 nan 8.190 nan 0.000 0.449 84 P HA -0.082 nan 4.420 nan 0.000 0.219 84 P C 1.850 179.041 177.300 -0.183 0.000 1.150 84 P CA 1.219 64.154 63.100 -0.276 0.000 0.814 84 P CB -0.016 31.252 31.700 -0.721 0.000 0.787 85 L N -1.864 119.377 121.223 0.030 0.000 2.056 85 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 85 L C 2.383 179.293 176.870 0.067 0.000 1.078 85 L CA 1.526 56.484 54.840 0.197 0.000 0.749 85 L CB -0.837 41.419 42.059 0.328 0.000 0.901 85 L HN -0.017 nan 8.230 nan 0.000 0.433 86 M N -0.159 119.492 119.600 0.086 0.000 2.549 86 M HA -0.089 4.391 4.480 -0.000 0.000 0.260 86 M C 1.639 177.947 176.300 0.013 0.000 1.076 86 M CA 1.311 56.681 55.300 0.117 0.000 1.090 86 M CB 0.004 32.724 32.600 0.200 0.000 1.418 86 M HN 0.358 nan 8.290 nan 0.000 0.486 87 I N -4.590 115.912 120.570 -0.112 0.000 4.081 87 I HA 0.469 4.639 4.170 -0.000 0.000 0.333 87 I C 0.813 176.714 176.117 -0.360 0.000 1.413 87 I CA -0.079 61.117 61.300 -0.172 0.000 1.110 87 I CB -0.070 37.836 38.000 -0.157 0.000 1.082 87 I HN 0.257 nan 8.210 nan 0.000 0.402 88 G N 2.104 110.494 108.800 -0.685 0.000 2.246 88 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.273 88 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.273 88 G C 0.157 174.465 174.900 -0.987 0.000 1.055 88 G CA 0.173 44.357 45.100 -1.526 0.000 0.851 88 G HN 0.944 nan 8.290 nan 0.000 0.500 89 A N -0.032 122.432 122.820 -0.593 0.000 2.320 89 A HA 0.929 5.249 4.320 -0.000 0.000 0.334 89 A C -0.484 177.024 177.584 -0.127 0.000 1.147 89 A CA -1.068 50.794 52.037 -0.291 0.000 0.820 89 A CB 1.471 20.318 19.000 -0.255 0.000 1.218 89 A HN 0.093 nan 8.150 nan 0.000 0.482 90 P HA 0.064 nan 4.420 nan 0.000 0.235 90 P C -0.113 177.191 177.300 0.006 0.000 1.177 90 P CA 0.936 64.077 63.100 0.069 0.000 0.785 90 P CB 0.507 32.238 31.700 0.052 0.000 0.885 91 D N -2.376 117.941 120.400 -0.139 0.000 3.010 91 D HA 0.147 4.787 4.640 -0.000 0.000 0.353 91 D C -0.670 175.457 176.300 -0.287 0.000 1.415 91 D CA -0.462 53.422 54.000 -0.193 0.000 0.864 91 D CB 0.625 41.396 40.800 -0.048 0.000 1.445 91 D HN -0.335 nan 8.370 nan 0.000 0.516 92 M N 0.956 120.399 119.600 -0.261 0.000 2.197 92 M HA 0.348 4.828 4.480 -0.000 0.000 0.305 92 M C 1.291 177.394 176.300 -0.327 0.000 1.162 92 M CA 0.025 55.139 55.300 -0.309 0.000 1.099 92 M CB 0.551 32.965 32.600 -0.310 0.000 1.430 92 M HN 0.615 nan 8.290 nan 0.000 0.481 93 A N 1.308 123.837 122.820 -0.486 0.000 1.902 93 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 93 A C 0.416 177.569 177.584 -0.719 0.000 1.181 93 A CA 1.574 53.172 52.037 -0.732 0.000 0.623 93 A CB -0.286 18.015 19.000 -1.166 0.000 0.818 93 A HN 0.572 nan 8.150 nan 0.000 0.443 94 F N -1.150 118.740 119.950 -0.100 0.000 2.453 94 F HA 0.389 4.916 4.527 -0.000 0.000 0.358 94 F C -2.198 173.557 175.800 -0.075 0.000 1.129 94 F CA -2.868 55.087 58.000 -0.075 0.000 1.200 94 F CB 1.089 40.051 39.000 -0.064 0.000 1.431 94 F HN 0.011 nan 8.300 nan 0.000 0.503 95 P HA -0.083 nan 4.420 nan 0.000 0.223 95 P C 1.725 179.046 177.300 0.035 0.000 1.151 95 P CA 1.038 64.141 63.100 0.004 0.000 0.787 95 P CB 0.334 32.028 31.700 -0.010 0.000 0.788 96 R N -0.654 119.883 120.500 0.062 0.000 2.128 96 R HA 0.174 4.514 4.340 -0.000 0.000 0.211 96 R C 2.187 178.526 176.300 0.065 0.000 1.067 96 R CA 0.484 56.615 56.100 0.052 0.000 1.010 96 R CB -0.619 29.698 30.300 0.027 0.000 0.922 96 R HN 0.024 nan 8.270 nan 0.000 0.457 97 M N 1.209 120.854 119.600 0.076 0.000 2.213 97 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 97 M C 1.593 177.945 176.300 0.087 0.000 1.062 97 M CA 1.748 57.086 55.300 0.064 0.000 1.105 97 M CB -0.184 32.446 32.600 0.050 0.000 1.385 97 M HN 0.140 nan 8.290 nan 0.000 0.417 98 N N 0.974 119.724 118.700 0.085 0.000 2.137 98 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 98 N C 1.318 176.903 175.510 0.126 0.000 1.017 98 N CA 1.843 54.937 53.050 0.074 0.000 0.859 98 N CB -0.406 38.082 38.487 0.002 0.000 1.002 98 N HN 0.423 nan 8.380 nan 0.000 0.428 99 N N -0.321 118.455 118.700 0.126 0.000 2.331 99 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 99 N C 1.632 177.303 175.510 0.269 0.000 1.019 99 N CA 0.638 53.806 53.050 0.197 0.000 0.881 99 N CB -0.153 38.469 38.487 0.225 0.000 0.972 99 N HN 0.366 nan 8.380 nan 0.000 0.435 100 M N -0.731 118.980 119.600 0.186 0.000 2.288 100 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 100 M C 1.658 178.028 176.300 0.115 0.000 1.072 100 M CA 0.871 56.272 55.300 0.167 0.000 1.132 100 M CB 0.042 32.700 32.600 0.096 0.000 1.386 100 M HN 0.010 nan 8.290 nan 0.000 0.432 101 S N 0.506 116.277 115.700 0.118 0.000 2.387 101 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 101 S C 1.466 176.084 174.600 0.030 0.000 1.035 101 S CA 1.571 59.848 58.200 0.128 0.000 1.014 101 S CB -0.560 62.776 63.200 0.227 0.000 0.836 101 S HN 0.617 nan 8.310 nan 0.000 0.466 102 F N 0.575 120.400 119.950 -0.209 0.000 2.084 102 F HA -0.058 4.469 4.527 -0.000 0.000 0.296 102 F C 1.728 177.162 175.800 -0.611 0.000 1.111 102 F CA 1.219 58.769 58.000 -0.751 0.000 1.224 102 F CB -0.536 37.815 39.000 -1.082 0.000 0.991 102 F HN 0.222 nan 8.300 nan 0.000 0.471 103 W N 0.441 121.543 121.300 -0.330 0.000 2.678 103 W HA 0.034 4.694 4.660 -0.000 0.000 0.256 103 W C 1.998 178.328 176.519 -0.315 0.000 1.280 103 W CA 0.286 57.427 57.345 -0.340 0.000 1.345 103 W CB -0.297 29.141 29.460 -0.037 0.000 1.118 103 W HN 0.011 nan 8.180 nan 0.000 0.629 104 L N -0.073 121.101 121.223 -0.081 0.000 2.265 104 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 104 L C 2.056 178.837 176.870 -0.149 0.000 1.117 104 L CA 0.901 55.702 54.840 -0.065 0.000 0.782 104 L CB -0.545 41.508 42.059 -0.011 0.000 0.914 104 L HN 0.121 nan 8.230 nan 0.000 0.441 105 L N -0.656 120.308 121.223 -0.432 0.000 2.068 105 L HA -0.062 4.278 4.340 -0.000 0.000 0.204 105 L C -0.144 176.572 176.870 -0.257 0.000 1.076 105 L CA 0.942 55.494 54.840 -0.479 0.000 0.753 105 L CB -1.587 39.810 42.059 -1.102 0.000 0.910 105 L HN 0.189 nan 8.230 nan 0.000 0.439 106 P HA -0.100 nan 4.420 nan 0.000 0.215 106 P C -1.406 175.943 177.300 0.082 0.000 1.153 106 P CA 1.478 64.645 63.100 0.112 0.000 0.853 106 P CB -1.046 30.725 31.700 0.118 0.000 0.788 107 P HA -0.146 nan 4.420 nan 0.000 0.216 107 P C 1.930 179.278 177.300 0.080 0.000 1.150 107 P CA 1.704 64.837 63.100 0.056 0.000 0.837 107 P CB -0.486 31.239 31.700 0.042 0.000 0.786 108 S N -1.659 114.094 115.700 0.089 0.000 2.370 108 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 108 S C 1.813 176.510 174.600 0.161 0.000 1.033 108 S CA 1.068 59.365 58.200 0.161 0.000 1.011 108 S CB -1.119 62.236 63.200 0.259 0.000 0.852 108 S HN 0.076 nan 8.310 nan 0.000 0.457 109 F N 0.780 120.565 119.950 -0.274 0.000 2.146 109 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 109 F C 2.062 177.790 175.800 -0.119 0.000 1.096 109 F CA 0.836 58.524 58.000 -0.520 0.000 1.275 109 F CB -0.120 38.482 39.000 -0.663 0.000 1.008 109 F HN 0.305 nan 8.300 nan 0.000 0.480 110 L N 1.007 122.314 121.223 0.140 0.000 2.042 110 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 110 L C 1.953 178.897 176.870 0.123 0.000 1.076 110 L CA 1.786 56.672 54.840 0.078 0.000 0.749 110 L CB -0.879 41.203 42.059 0.038 0.000 0.893 110 L HN 0.163 nan 8.230 nan 0.000 0.432 111 L N -1.193 120.114 121.223 0.139 0.000 2.046 111 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 111 L C 2.558 179.528 176.870 0.167 0.000 1.077 111 L CA 1.552 56.480 54.840 0.146 0.000 0.747 111 L CB -0.678 41.474 42.059 0.156 0.000 0.896 111 L HN 0.394 nan 8.230 nan 0.000 0.432 112 L N -0.293 121.064 121.223 0.224 0.000 2.056 112 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 112 L C 2.464 179.492 176.870 0.264 0.000 1.078 112 L CA 1.336 56.330 54.840 0.256 0.000 0.749 112 L CB -0.081 42.225 42.059 0.412 0.000 0.901 112 L HN 0.152 nan 8.230 nan 0.000 0.433 113 L N -0.194 121.194 121.223 0.274 0.000 2.083 113 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 113 L C 2.869 179.822 176.870 0.138 0.000 1.083 113 L CA 1.042 55.999 54.840 0.194 0.000 0.752 113 L CB -0.965 41.167 42.059 0.121 0.000 0.899 113 L HN 0.376 nan 8.230 nan 0.000 0.433 114 A N 0.293 123.187 122.820 0.124 0.000 1.883 114 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 114 A C 2.568 180.218 177.584 0.110 0.000 1.186 114 A CA 2.222 54.320 52.037 0.102 0.000 0.624 114 A CB -0.913 18.146 19.000 0.098 0.000 0.822 114 A HN 0.502 nan 8.150 nan 0.000 0.444 115 S N 0.452 116.227 115.700 0.124 0.000 2.402 115 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 115 S C 1.961 176.634 174.600 0.122 0.000 1.030 115 S CA 2.150 60.421 58.200 0.118 0.000 1.003 115 S CB -0.742 62.524 63.200 0.109 0.000 0.813 115 S HN 1.041 nan 8.310 nan 0.000 0.477 116 S N -0.184 115.595 115.700 0.132 0.000 2.548 116 S HA 0.282 4.752 4.470 -0.000 0.000 0.215 116 S C 1.718 176.381 174.600 0.104 0.000 0.976 116 S CA 0.017 58.293 58.200 0.127 0.000 0.908 116 S CB -0.174 63.113 63.200 0.145 0.000 0.781 116 S HN 0.430 nan 8.310 nan 0.000 0.519 117 M N 1.882 121.538 119.600 0.095 0.000 2.552 117 M HA 0.268 4.748 4.480 -0.000 0.000 0.264 117 M C 0.953 177.295 176.300 0.070 0.000 1.159 117 M CA 0.472 55.817 55.300 0.076 0.000 1.176 117 M CB -0.271 32.371 32.600 0.070 0.000 1.327 117 M HN 0.387 nan 8.290 nan 0.000 0.481 118 V N -0.513 119.446 119.914 0.076 0.000 2.785 118 V HA 0.347 4.467 4.120 -0.000 0.000 0.300 118 V C 0.803 176.941 176.094 0.072 0.000 1.062 118 V CA -0.927 61.415 62.300 0.069 0.000 1.029 118 V CB 1.021 32.887 31.823 0.071 0.000 1.024 118 V HN 0.544 nan 8.190 nan 0.000 0.477 119 E N 2.500 122.736 120.200 0.061 0.000 3.401 119 E HA -0.345 4.005 4.350 -0.000 0.000 0.352 119 E C 0.877 177.513 176.600 0.058 0.000 1.523 119 E CA 2.062 58.496 56.400 0.056 0.000 1.794 119 E CB -1.622 28.116 29.700 0.064 0.000 1.792 119 E HN 1.560 nan 8.360 nan 0.000 0.471 120 A N 1.471 124.329 122.820 0.065 0.000 2.594 120 A HA 0.527 4.847 4.320 -0.000 0.000 0.287 120 A C 0.791 178.441 177.584 0.110 0.000 1.227 120 A CA 1.445 53.523 52.037 0.068 0.000 0.952 120 A CB 0.093 19.112 19.000 0.032 0.000 1.161 120 A HN 1.407 nan 8.150 nan 0.000 0.524 121 G N -1.089 107.789 108.800 0.129 0.000 2.795 121 G HA2 0.347 4.307 3.960 -0.000 0.000 0.664 121 G HA3 0.347 4.307 3.960 -0.000 0.000 0.664 121 G C 0.007 175.035 174.900 0.214 0.000 1.381 121 G CA -0.347 44.845 45.100 0.153 0.000 0.853 121 G HN 1.755 nan 8.290 nan 0.000 0.545 122 A N 0.293 123.209 122.820 0.160 0.000 2.341 122 A HA 0.746 5.066 4.320 -0.000 0.000 0.326 122 A C 0.860 178.481 177.584 0.060 0.000 1.402 122 A CA 0.758 52.829 52.037 0.056 0.000 0.957 122 A CB 0.497 19.499 19.000 0.002 0.000 1.151 122 A HN 2.317 nan 8.150 nan 0.000 0.533 123 G N 1.732 110.638 108.800 0.176 0.000 3.714 123 G HA2 0.372 4.332 3.960 -0.000 0.000 0.276 123 G HA3 0.372 4.332 3.960 -0.000 0.000 0.276 123 G C 0.689 175.610 174.900 0.035 0.000 1.058 123 G CA 0.487 45.673 45.100 0.143 0.000 1.700 123 G HN 0.786 nan 8.290 nan 0.000 0.605 124 T N -2.352 112.137 114.554 -0.107 0.000 3.001 124 T HA 0.487 4.837 4.350 -0.000 0.000 0.251 124 T C 1.227 175.833 174.700 -0.157 0.000 1.040 124 T CA 0.467 62.459 62.100 -0.180 0.000 0.985 124 T CB 0.583 69.281 68.868 -0.283 0.000 1.011 124 T HN 1.573 nan 8.240 nan 0.000 0.509 125 G N 1.786 110.515 108.800 -0.117 0.000 2.733 125 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 125 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 125 G C 0.269 175.011 174.900 -0.262 0.000 1.373 125 G CA -0.254 44.751 45.100 -0.159 0.000 0.838 125 G HN 0.638 nan 8.290 nan 0.000 0.588 126 W N 0.475 121.465 121.300 -0.518 0.000 2.825 126 W HA 0.023 4.683 4.660 -0.000 0.000 0.243 126 W C 1.345 177.585 176.519 -0.466 0.000 1.293 126 W CA 1.719 58.546 57.345 -0.863 0.000 1.403 126 W CB -1.395 27.489 29.460 -0.961 0.000 1.134 126 W HN 0.976 nan 8.180 nan 0.000 0.666 127 T N -1.527 112.358 114.554 -1.115 0.000 3.065 127 T HA 0.131 4.481 4.350 -0.000 0.000 0.252 127 T C 1.096 175.228 174.700 -0.946 0.000 1.099 127 T CA 0.534 61.602 62.100 -1.721 0.000 1.063 127 T CB -0.564 67.337 68.868 -1.612 0.000 0.948 127 T HN 0.080 nan 8.240 nan 0.000 0.506 128 V N 0.727 120.327 119.914 -0.522 0.000 5.325 128 V HA -0.235 3.885 4.120 -0.000 0.000 0.291 128 V C 0.151 176.004 176.094 -0.401 0.000 0.541 128 V CA 0.270 62.387 62.300 -0.304 0.000 0.687 128 V CB -2.984 28.757 31.823 -0.137 0.000 0.491 128 V HN 0.718 nan 8.190 nan 0.000 1.145 129 Y N 1.834 121.837 120.300 -0.495 0.000 2.610 129 Y HA 0.237 4.787 4.550 -0.000 0.000 0.332 129 Y C -0.750 174.865 175.900 -0.475 0.000 1.201 129 Y CA -1.654 56.129 58.100 -0.529 0.000 1.465 129 Y CB 0.829 39.145 38.460 -0.239 0.000 1.283 129 Y HN 0.272 nan 8.280 nan 0.000 0.563 130 P HA 0.146 nan 4.420 nan 0.000 0.276 130 P C -2.452 174.805 177.300 -0.071 0.000 1.252 130 P CA -1.861 61.116 63.100 -0.206 0.000 0.802 130 P CB 1.036 32.617 31.700 -0.199 0.000 1.035 131 P HA 0.083 nan 4.420 nan 0.000 0.249 131 P C 1.411 178.735 177.300 0.039 0.000 1.229 131 P CA 0.041 63.158 63.100 0.027 0.000 0.788 131 P CB -0.092 31.639 31.700 0.051 0.000 1.072 132 L N 0.248 121.497 121.223 0.044 0.000 2.131 132 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 132 L C 1.907 178.854 176.870 0.129 0.000 1.092 132 L CA 1.817 56.718 54.840 0.101 0.000 0.759 132 L CB -1.155 40.963 42.059 0.099 0.000 0.903 132 L HN -0.072 nan 8.230 nan 0.000 0.435 133 A N -0.810 121.993 122.820 -0.028 0.000 2.238 133 A HA 0.404 4.723 4.320 -0.000 0.000 0.208 133 A C 1.355 178.923 177.584 -0.028 0.000 1.177 133 A CA 0.374 52.343 52.037 -0.114 0.000 0.804 133 A CB -1.215 17.646 19.000 -0.233 0.000 0.823 133 A HN 0.469 nan 8.150 nan 0.000 0.482 134 G N -0.094 108.722 108.800 0.025 0.000 2.588 134 G HA2 0.298 4.258 3.960 -0.000 0.000 0.281 134 G HA3 0.298 4.258 3.960 -0.000 0.000 0.281 134 G C 0.517 175.460 174.900 0.071 0.000 1.236 134 G CA 0.081 45.209 45.100 0.046 0.000 0.969 134 G HN 0.435 nan 8.290 nan 0.000 0.504 135 N N -0.793 117.942 118.700 0.058 0.000 2.521 135 N HA -0.025 4.715 4.740 -0.000 0.000 0.188 135 N C 1.287 176.825 175.510 0.047 0.000 1.146 135 N CA 0.372 53.455 53.050 0.055 0.000 0.893 135 N CB 0.244 38.758 38.487 0.044 0.000 0.975 135 N HN 0.292 nan 8.380 nan 0.000 0.451 136 L N -0.886 120.365 121.223 0.047 0.000 2.433 136 L HA 0.521 4.861 4.340 -0.000 0.000 0.200 136 L C 1.916 178.801 176.870 0.025 0.000 1.059 136 L CA 0.921 55.781 54.840 0.033 0.000 0.835 136 L CB -0.745 41.333 42.059 0.031 0.000 1.076 136 L HN 0.108 nan 8.230 nan 0.000 0.481 137 A N -2.009 120.837 122.820 0.044 0.000 2.178 137 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 137 A C 0.231 177.805 177.584 -0.016 0.000 1.157 137 A CA 0.559 52.614 52.037 0.029 0.000 0.780 137 A CB -0.597 18.451 19.000 0.080 0.000 0.828 137 A HN 0.606 nan 8.150 nan 0.000 0.476 138 H N -0.847 118.232 119.070 0.015 0.000 2.597 138 H HA 0.518 5.074 4.556 -0.000 0.000 0.225 138 H C 0.110 175.449 175.328 0.017 0.000 1.422 138 H CA -0.143 55.915 56.048 0.016 0.000 1.335 138 H CB 0.410 30.177 29.762 0.009 0.000 1.783 138 H HN 0.403 nan 8.280 nan 0.000 0.513 139 A N 1.056 123.905 122.820 0.047 0.000 2.498 139 A HA 0.524 4.844 4.320 -0.000 0.000 0.239 139 A C 1.168 178.785 177.584 0.054 0.000 1.068 139 A CA 1.000 53.064 52.037 0.045 0.000 0.766 139 A CB -0.307 18.705 19.000 0.019 0.000 1.003 139 A HN 0.920 nan 8.150 nan 0.000 0.497 140 G N -0.127 108.707 108.800 0.057 0.000 2.610 140 G HA2 0.318 4.278 3.960 -0.000 0.000 0.304 140 G HA3 0.318 4.278 3.960 -0.000 0.000 0.304 140 G C 0.757 175.701 174.900 0.074 0.000 1.309 140 G CA 0.259 45.395 45.100 0.061 0.000 0.906 140 G HN 1.999 nan 8.290 nan 0.000 0.521 141 A N -0.663 122.204 122.820 0.078 0.000 2.067 141 A HA 0.372 4.692 4.320 -0.000 0.000 0.217 141 A C 2.627 180.263 177.584 0.086 0.000 1.156 141 A CA 2.373 54.463 52.037 0.087 0.000 0.683 141 A CB -0.558 18.499 19.000 0.094 0.000 0.808 141 A HN 1.497 nan 8.150 nan 0.000 0.455 142 S N -0.094 115.663 115.700 0.095 0.000 2.353 142 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 142 S C 1.866 176.500 174.600 0.056 0.000 1.035 142 S CA 1.696 59.954 58.200 0.096 0.000 1.025 142 S CB -0.525 62.756 63.200 0.134 0.000 0.902 142 S HN 0.357 nan 8.310 nan 0.000 0.440 143 V N 2.609 122.545 119.914 0.035 0.000 2.427 143 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 143 V C 2.000 178.034 176.094 -0.099 0.000 1.051 143 V CA 1.648 63.919 62.300 -0.047 0.000 1.048 143 V CB -0.698 31.082 31.823 -0.072 0.000 0.666 143 V HN 0.422 nan 8.190 nan 0.000 0.456 144 D N 0.089 120.440 120.400 -0.081 0.000 2.144 144 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 144 D C 2.150 178.341 176.300 -0.182 0.000 0.984 144 D CA 1.122 54.995 54.000 -0.212 0.000 0.834 144 D CB -0.093 40.646 40.800 -0.102 0.000 0.955 144 D HN 0.354 nan 8.370 nan 0.000 0.465 145 L N 0.707 121.957 121.223 0.044 0.000 2.083 145 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 145 L C 2.565 179.462 176.870 0.045 0.000 1.083 145 L CA 1.041 55.971 54.840 0.151 0.000 0.752 145 L CB -0.533 41.607 42.059 0.136 0.000 0.899 145 L HN -0.000 nan 8.230 nan 0.000 0.433 146 T N 0.044 114.567 114.554 -0.051 0.000 2.746 146 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 146 T C 1.901 176.437 174.700 -0.272 0.000 1.039 146 T CA 1.339 63.343 62.100 -0.160 0.000 1.142 146 T CB -0.139 68.649 68.868 -0.133 0.000 0.866 146 T HN 0.191 nan 8.240 nan 0.000 0.444 147 I N 0.087 120.474 120.570 -0.306 0.000 2.202 147 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 147 I C 1.995 177.882 176.117 -0.383 0.000 1.091 147 I CA 1.261 62.303 61.300 -0.429 0.000 1.368 147 I CB -0.347 37.350 38.000 -0.505 0.000 1.058 147 I HN 0.158 nan 8.210 nan 0.000 0.410 148 F N 0.584 120.494 119.950 -0.066 0.000 2.161 148 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 148 F C 2.952 178.750 175.800 -0.004 0.000 1.089 148 F CA 1.465 59.495 58.000 0.051 0.000 1.282 148 F CB -1.263 37.781 39.000 0.072 0.000 1.010 148 F HN 0.028 nan 8.300 nan 0.000 0.485 149 S N 0.319 116.086 115.700 0.113 0.000 2.359 149 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 149 S C 2.205 176.745 174.600 -0.099 0.000 1.035 149 S CA 1.313 59.538 58.200 0.042 0.000 1.018 149 S CB -0.483 62.719 63.200 0.002 0.000 0.876 149 S HN 0.354 nan 8.310 nan 0.000 0.448 150 L N 0.110 121.145 121.223 -0.314 0.000 2.083 150 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 150 L C 2.445 179.168 176.870 -0.245 0.000 1.083 150 L CA 1.794 56.353 54.840 -0.468 0.000 0.752 150 L CB -0.692 41.023 42.059 -0.574 0.000 0.899 150 L HN 0.487 nan 8.230 nan 0.000 0.433 151 H N -0.638 118.374 119.070 -0.097 0.000 2.387 151 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 151 H C 2.317 177.638 175.328 -0.011 0.000 1.090 151 H CA 0.951 56.980 56.048 -0.031 0.000 1.332 151 H CB 0.202 30.013 29.762 0.083 0.000 1.386 151 H HN 0.219 nan 8.280 nan 0.000 0.516 152 L N -0.217 121.094 121.223 0.146 0.000 2.072 152 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 152 L C 2.769 179.683 176.870 0.074 0.000 1.079 152 L CA 0.884 55.782 54.840 0.096 0.000 0.752 152 L CB -0.562 41.552 42.059 0.092 0.000 0.906 152 L HN 0.334 nan 8.230 nan 0.000 0.436 153 A N 0.457 123.309 122.820 0.054 0.000 1.930 153 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 153 A C 2.387 180.014 177.584 0.071 0.000 1.175 153 A CA 1.499 53.582 52.037 0.077 0.000 0.627 153 A CB -0.994 17.990 19.000 -0.027 0.000 0.815 153 A HN 0.424 nan 8.150 nan 0.000 0.443 154 G N -0.393 108.415 108.800 0.014 0.000 2.433 154 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 154 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 154 G C 1.505 176.443 174.900 0.064 0.000 1.186 154 G CA 1.255 46.372 45.100 0.029 0.000 0.779 154 G HN 0.297 nan 8.290 nan 0.000 0.543 155 V N 0.873 120.824 119.914 0.062 0.000 2.407 155 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 155 V C 3.048 179.183 176.094 0.069 0.000 1.055 155 V CA 2.184 64.517 62.300 0.055 0.000 1.049 155 V CB -0.330 31.516 31.823 0.038 0.000 0.662 155 V HN 0.495 nan 8.190 nan 0.000 0.455 156 S N -0.184 115.564 115.700 0.081 0.000 2.353 156 S HA -0.221 4.249 4.470 -0.000 0.000 0.222 156 S C 2.212 176.893 174.600 0.136 0.000 1.035 156 S CA 2.298 60.558 58.200 0.100 0.000 1.025 156 S CB -0.301 62.960 63.200 0.101 0.000 0.902 156 S HN 0.609 nan 8.310 nan 0.000 0.440 157 S N 0.822 116.610 115.700 0.147 0.000 2.406 157 S HA 0.132 4.602 4.470 -0.000 0.000 0.228 157 S C 1.748 176.435 174.600 0.145 0.000 1.020 157 S CA 1.031 59.328 58.200 0.162 0.000 0.965 157 S CB -0.348 62.957 63.200 0.175 0.000 0.798 157 S HN 0.505 nan 8.310 nan 0.000 0.488 158 I N 1.350 121.990 120.570 0.118 0.000 2.252 158 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 158 I C 1.926 178.102 176.117 0.099 0.000 1.102 158 I CA 1.024 62.386 61.300 0.104 0.000 1.385 158 I CB -0.236 37.809 38.000 0.076 0.000 1.064 158 I HN 0.242 nan 8.210 nan 0.000 0.414 159 L N 0.071 121.346 121.223 0.087 0.000 2.093 159 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 159 L C 2.675 179.609 176.870 0.108 0.000 1.085 159 L CA 1.472 56.358 54.840 0.077 0.000 0.755 159 L CB -1.323 40.771 42.059 0.059 0.000 0.904 159 L HN 0.320 nan 8.230 nan 0.000 0.435 160 G N -0.045 108.835 108.800 0.133 0.000 2.440 160 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 160 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 160 G C 1.777 176.815 174.900 0.229 0.000 1.154 160 G CA 0.916 46.111 45.100 0.158 0.000 0.767 160 G HN 0.470 nan 8.290 nan 0.000 0.552 161 A N 0.592 123.547 122.820 0.225 0.000 1.898 161 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 161 A C 2.394 180.092 177.584 0.190 0.000 1.181 161 A CA 1.160 53.336 52.037 0.231 0.000 0.620 161 A CB -0.323 18.777 19.000 0.167 0.000 0.819 161 A HN 0.366 nan 8.150 nan 0.000 0.442 162 I N 0.007 120.669 120.570 0.154 0.000 2.286 162 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 162 I C 2.430 178.665 176.117 0.196 0.000 1.115 162 I CA 1.222 62.617 61.300 0.158 0.000 1.392 162 I CB -0.316 37.764 38.000 0.134 0.000 1.065 162 I HN 0.356 nan 8.210 nan 0.000 0.418 163 N N 0.913 119.708 118.700 0.157 0.000 2.171 163 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 163 N C 1.893 177.329 175.510 -0.123 0.000 1.021 163 N CA 1.542 54.617 53.050 0.041 0.000 0.854 163 N CB -0.177 38.264 38.487 -0.076 0.000 0.994 163 N HN 0.226 nan 8.380 nan 0.000 0.426 164 F N 1.139 121.083 119.950 -0.010 0.000 2.102 164 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 164 F C 2.340 178.090 175.800 -0.084 0.000 1.105 164 F CA 0.670 58.630 58.000 -0.066 0.000 1.239 164 F CB -0.187 38.776 39.000 -0.062 0.000 0.991 164 F HN -0.006 nan 8.300 nan 0.000 0.474 165 I N -0.377 120.285 120.570 0.153 0.000 2.127 165 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 165 I C 2.296 178.408 176.117 -0.008 0.000 1.075 165 I CA 1.804 63.138 61.300 0.056 0.000 1.334 165 I CB -0.928 37.112 38.000 0.067 0.000 1.040 165 I HN 0.136 nan 8.210 nan 0.000 0.405 166 T N -0.177 114.370 114.554 -0.011 0.000 2.720 166 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 166 T C 1.904 176.498 174.700 -0.177 0.000 1.037 166 T CA 2.050 64.099 62.100 -0.085 0.000 1.144 166 T CB -0.454 68.348 68.868 -0.110 0.000 0.864 166 T HN 0.374 nan 8.240 nan 0.000 0.444 167 T N 2.061 116.486 114.554 -0.215 0.000 2.708 167 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 167 T C 1.997 176.598 174.700 -0.165 0.000 1.037 167 T CA 0.970 62.931 62.100 -0.232 0.000 1.146 167 T CB -0.437 68.290 68.868 -0.235 0.000 0.865 167 T HN 0.320 nan 8.240 nan 0.000 0.435 168 I N 0.639 121.139 120.570 -0.117 0.000 2.226 168 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 168 I C 2.094 178.101 176.117 -0.183 0.000 1.100 168 I CA 0.880 62.090 61.300 -0.150 0.000 1.374 168 I CB -0.283 37.628 38.000 -0.148 0.000 1.057 168 I HN 0.194 nan 8.210 nan 0.000 0.413 169 I N 0.507 120.984 120.570 -0.154 0.000 2.286 169 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 169 I C 2.078 178.116 176.117 -0.131 0.000 1.104 169 I CA 1.613 62.825 61.300 -0.146 0.000 1.397 169 I CB -1.305 36.636 38.000 -0.098 0.000 1.072 169 I HN 0.301 nan 8.210 nan 0.000 0.417 170 N N -0.215 118.407 118.700 -0.129 0.000 2.322 170 N HA 0.101 4.841 4.740 -0.000 0.000 0.181 170 N C 1.077 176.510 175.510 -0.129 0.000 1.088 170 N CA 0.436 53.416 53.050 -0.117 0.000 0.885 170 N CB 0.326 38.741 38.487 -0.121 0.000 1.013 170 N HN 0.140 nan 8.380 nan 0.000 0.472 171 M N 0.034 119.544 119.600 -0.150 0.000 2.692 171 M HA 0.227 4.707 4.480 -0.000 0.000 0.372 171 M C -0.473 175.733 176.300 -0.156 0.000 1.192 171 M CA -0.231 54.976 55.300 -0.154 0.000 0.928 171 M CB 0.846 33.336 32.600 -0.185 0.000 1.366 171 M HN -0.157 nan 8.290 nan 0.000 0.517 172 K N 1.210 121.523 120.400 -0.145 0.000 2.107 172 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 172 K C -2.374 174.152 176.600 -0.122 0.000 1.012 172 K CA -1.581 54.621 56.287 -0.141 0.000 0.920 172 K CB 0.177 32.595 32.500 -0.136 0.000 1.033 172 K HN -0.118 nan 8.250 nan 0.000 0.478 173 P HA -0.023 nan 4.420 nan 0.000 0.268 173 P C -2.084 175.164 177.300 -0.087 0.000 1.208 173 P CA -0.857 62.186 63.100 -0.096 0.000 0.777 173 P CB 0.075 31.723 31.700 -0.087 0.000 0.875 174 P HA -0.133 nan 4.420 nan 0.000 0.220 174 P C 0.962 178.221 177.300 -0.068 0.000 1.148 174 P CA 1.373 64.429 63.100 -0.072 0.000 0.803 174 P CB -0.263 31.395 31.700 -0.069 0.000 0.782 175 A N -1.074 121.699 122.820 -0.079 0.000 2.067 175 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 175 A C 1.383 178.942 177.584 -0.043 0.000 1.156 175 A CA 0.224 52.222 52.037 -0.065 0.000 0.683 175 A CB -0.940 18.006 19.000 -0.091 0.000 0.808 175 A HN 0.178 nan 8.150 nan 0.000 0.455 176 M N 2.160 121.731 119.600 -0.049 0.000 2.143 176 M HA 0.232 4.712 4.480 -0.000 0.000 0.348 176 M C 0.530 176.805 176.300 -0.042 0.000 1.375 176 M CA -0.222 55.056 55.300 -0.037 0.000 1.124 176 M CB 0.484 33.053 32.600 -0.052 0.000 1.669 176 M HN 0.444 nan 8.290 nan 0.000 0.469 177 S N 3.451 119.145 115.700 -0.010 0.000 2.655 177 S HA 0.130 4.600 4.470 -0.000 0.000 0.265 177 S C 0.708 175.254 174.600 -0.091 0.000 1.240 177 S CA -0.405 57.775 58.200 -0.033 0.000 0.986 177 S CB 1.297 64.527 63.200 0.051 0.000 0.985 177 S HN 0.822 nan 8.310 nan 0.000 0.562 178 Q N -0.201 119.444 119.800 -0.258 0.000 2.170 178 Q HA -0.006 4.334 4.340 -0.000 0.000 0.203 178 Q C 0.604 176.572 176.000 -0.053 0.000 0.976 178 Q CA 1.739 57.308 55.803 -0.390 0.000 0.858 178 Q CB -0.620 27.745 28.738 -0.622 0.000 0.907 178 Q HN 0.852 nan 8.270 nan 0.000 0.433 179 Y N -0.567 119.963 120.300 0.384 0.000 2.471 179 Y HA 0.178 4.728 4.550 -0.000 0.000 0.321 179 Y C 0.630 176.706 175.900 0.293 0.000 1.195 179 Y CA 0.192 58.610 58.100 0.530 0.000 1.272 179 Y CB 0.029 38.716 38.460 0.378 0.000 1.097 179 Y HN 0.103 nan 8.280 nan 0.000 0.507 180 Q N -0.384 119.575 119.800 0.265 0.000 2.112 180 Q HA 0.123 4.463 4.340 -0.000 0.000 0.222 180 Q C 0.272 176.354 176.000 0.137 0.000 0.798 180 Q CA -0.188 55.679 55.803 0.106 0.000 1.060 180 Q CB 0.874 29.643 28.738 0.051 0.000 1.184 180 Q HN 0.302 nan 8.270 nan 0.000 0.475 181 T N -2.297 112.407 114.554 0.249 0.000 2.907 181 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 181 T C -2.546 172.428 174.700 0.458 0.000 1.004 181 T CA -2.252 59.963 62.100 0.192 0.000 1.063 181 T CB 1.518 70.341 68.868 -0.076 0.000 0.992 181 T HN -0.230 nan 8.240 nan 0.000 0.483 182 P HA 0.193 nan 4.420 nan 0.000 0.270 182 P C 1.011 178.717 177.300 0.676 0.000 1.223 182 P CA -0.484 62.943 63.100 0.545 0.000 0.785 182 P CB 0.421 32.470 31.700 0.582 0.000 0.923 183 L N 0.321 121.950 121.223 0.677 0.000 2.191 183 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 183 L C 2.126 179.351 176.870 0.593 0.000 1.103 183 L CA 1.232 56.419 54.840 0.578 0.000 0.769 183 L CB -0.643 41.660 42.059 0.407 0.000 0.908 183 L HN 0.365 nan 8.230 nan 0.000 0.438 184 F N 0.545 120.842 119.950 0.579 0.000 2.134 184 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 184 F C 2.246 178.124 175.800 0.131 0.000 1.097 184 F CA 1.380 59.500 58.000 0.199 0.000 1.264 184 F CB -0.328 38.549 39.000 -0.206 0.000 1.001 184 F HN -0.249 nan 8.300 nan 0.000 0.479 185 V N -0.911 119.051 119.914 0.081 0.000 2.343 185 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 185 V C 2.150 178.160 176.094 -0.140 0.000 1.051 185 V CA 2.065 64.289 62.300 -0.126 0.000 1.036 185 V CB -1.179 30.629 31.823 -0.026 0.000 0.654 185 V HN 0.501 nan 8.190 nan 0.000 0.451 186 W N 0.899 122.184 121.300 -0.024 0.000 2.338 186 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 186 W C 3.010 179.474 176.519 -0.090 0.000 1.212 186 W CA 1.985 59.310 57.345 -0.032 0.000 1.264 186 W CB -0.402 29.063 29.460 0.008 0.000 1.142 186 W HN 0.390 nan 8.180 nan 0.000 0.512 187 S N -0.847 114.914 115.700 0.102 0.000 2.406 187 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 187 S C 1.648 176.138 174.600 -0.183 0.000 1.020 187 S CA 1.364 59.566 58.200 0.003 0.000 0.965 187 S CB -0.805 62.426 63.200 0.052 0.000 0.798 187 S HN 0.053 nan 8.310 nan 0.000 0.488 188 V N 1.617 121.271 119.914 -0.433 0.000 2.488 188 V HA -0.009 4.111 4.120 -0.000 0.000 0.246 188 V C 2.564 178.469 176.094 -0.315 0.000 1.046 188 V CA 1.915 63.884 62.300 -0.552 0.000 1.053 188 V CB -0.648 30.653 31.823 -0.871 0.000 0.679 188 V HN 0.551 nan 8.190 nan 0.000 0.458 189 M N -0.340 119.146 119.600 -0.191 0.000 2.086 189 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 189 M C 2.118 178.423 176.300 0.008 0.000 1.067 189 M CA 2.060 57.310 55.300 -0.082 0.000 1.116 189 M CB -0.231 32.309 32.600 -0.099 0.000 1.348 189 M HN 0.234 nan 8.290 nan 0.000 0.407 190 I N -0.329 120.283 120.570 0.071 0.000 2.151 190 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 190 I C 2.181 178.344 176.117 0.077 0.000 1.080 190 I CA 1.861 63.228 61.300 0.113 0.000 1.339 190 I CB -0.892 37.202 38.000 0.157 0.000 1.039 190 I HN 0.351 nan 8.210 nan 0.000 0.409 191 T N 0.564 115.124 114.554 0.010 0.000 2.788 191 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 191 T C 2.010 176.722 174.700 0.020 0.000 1.044 191 T CA 1.441 63.538 62.100 -0.006 0.000 1.139 191 T CB -0.304 68.509 68.868 -0.091 0.000 0.867 191 T HN 0.509 nan 8.240 nan 0.000 0.454 192 A N 0.743 123.566 122.820 0.005 0.000 1.930 192 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 192 A C 2.546 180.192 177.584 0.104 0.000 1.175 192 A CA 1.106 53.182 52.037 0.065 0.000 0.627 192 A CB -0.842 18.204 19.000 0.077 0.000 0.815 192 A HN 0.365 nan 8.150 nan 0.000 0.443 193 V N 0.280 120.257 119.914 0.105 0.000 2.427 193 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 193 V C 2.522 178.729 176.094 0.189 0.000 1.051 193 V CA 1.662 64.038 62.300 0.127 0.000 1.048 193 V CB -0.648 31.251 31.823 0.126 0.000 0.666 193 V HN 0.561 nan 8.190 nan 0.000 0.456 194 L N -0.818 120.539 121.223 0.223 0.000 2.046 194 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 194 L C 2.448 179.480 176.870 0.269 0.000 1.077 194 L CA 1.568 56.602 54.840 0.323 0.000 0.747 194 L CB -0.667 41.493 42.059 0.168 0.000 0.896 194 L HN 0.306 nan 8.230 nan 0.000 0.432 195 L N -0.492 120.837 121.223 0.177 0.000 1.990 195 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 195 L C 2.648 179.632 176.870 0.189 0.000 1.072 195 L CA 1.123 56.071 54.840 0.180 0.000 0.755 195 L CB -0.577 41.571 42.059 0.148 0.000 0.889 195 L HN 0.222 nan 8.230 nan 0.000 0.432 196 L N -0.380 120.942 121.223 0.164 0.000 2.013 196 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 196 L C 2.246 179.203 176.870 0.146 0.000 1.073 196 L CA 1.899 56.821 54.840 0.136 0.000 0.753 196 L CB -0.248 41.879 42.059 0.113 0.000 0.890 196 L HN 0.139 nan 8.230 nan 0.000 0.432 197 L N -1.807 119.530 121.223 0.191 0.000 2.249 197 L HA -0.000 4.340 4.340 -0.000 0.000 0.207 197 L C 2.474 179.545 176.870 0.336 0.000 1.090 197 L CA 0.883 55.837 54.840 0.192 0.000 0.802 197 L CB -0.562 41.516 42.059 0.032 0.000 0.947 197 L HN 0.385 nan 8.230 nan 0.000 0.453 198 S N -0.230 115.714 115.700 0.405 0.000 2.404 198 S HA 0.002 4.472 4.470 -0.000 0.000 0.223 198 S C 1.928 176.723 174.600 0.325 0.000 1.040 198 S CA 0.267 58.710 58.200 0.406 0.000 0.957 198 S CB -0.518 62.844 63.200 0.270 0.000 0.826 198 S HN 0.281 nan 8.310 nan 0.000 0.491 199 L N 1.646 123.013 121.223 0.240 0.000 2.141 199 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 199 L C -0.880 175.980 176.870 -0.017 0.000 1.094 199 L CA 0.816 55.678 54.840 0.036 0.000 0.763 199 L CB -1.248 40.849 42.059 0.062 0.000 0.908 199 L HN 0.295 nan 8.230 nan 0.000 0.437 200 P HA -0.082 nan 4.420 nan 0.000 0.221 200 P C 1.853 179.148 177.300 -0.008 0.000 1.150 200 P CA 0.872 63.982 63.100 0.017 0.000 0.800 200 P CB 0.124 31.845 31.700 0.035 0.000 0.787 201 V N -0.182 119.751 119.914 0.031 0.000 2.307 201 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 201 V C 2.377 178.412 176.094 -0.097 0.000 1.045 201 V CA 1.445 63.745 62.300 -0.001 0.000 1.024 201 V CB -1.285 30.622 31.823 0.140 0.000 0.651 201 V HN 0.054 nan 8.190 nan 0.000 0.449 202 L N 1.159 122.264 121.223 -0.198 0.000 2.042 202 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 202 L C 2.456 179.166 176.870 -0.266 0.000 1.076 202 L CA 2.425 57.028 54.840 -0.395 0.000 0.749 202 L CB -0.956 40.570 42.059 -0.888 0.000 0.893 202 L HN 0.227 nan 8.230 nan 0.000 0.432 203 A N -0.664 122.048 122.820 -0.178 0.000 1.933 203 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 203 A C 2.430 180.013 177.584 -0.001 0.000 1.175 203 A CA 1.778 53.788 52.037 -0.044 0.000 0.628 203 A CB -1.084 17.942 19.000 0.043 0.000 0.814 203 A HN 0.596 nan 8.150 nan 0.000 0.444 204 A N -0.569 122.221 122.820 -0.050 0.000 1.898 204 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 204 A C 2.384 179.923 177.584 -0.075 0.000 1.181 204 A CA 1.780 53.777 52.037 -0.067 0.000 0.620 204 A CB -1.258 17.685 19.000 -0.095 0.000 0.819 204 A HN 0.670 nan 8.150 nan 0.000 0.442 205 G N 0.781 109.532 108.800 -0.081 0.000 2.402 205 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 205 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 205 G C 1.519 176.494 174.900 0.125 0.000 1.162 205 G CA 1.101 46.193 45.100 -0.014 0.000 0.777 205 G HN 0.817 nan 8.290 nan 0.000 0.539 206 I N -1.408 119.182 120.570 0.033 0.000 2.614 206 I HA -0.010 4.160 4.170 -0.000 0.000 0.258 206 I C 2.203 178.333 176.117 0.021 0.000 1.189 206 I CA 1.521 62.846 61.300 0.041 0.000 1.462 206 I CB -0.564 37.333 38.000 -0.170 0.000 1.092 206 I HN -0.065 nan 8.210 nan 0.000 0.442 207 T N 1.423 116.015 114.554 0.063 0.000 2.851 207 T HA 0.039 4.389 4.350 -0.000 0.000 0.262 207 T C 1.921 176.648 174.700 0.045 0.000 1.043 207 T CA 1.538 63.705 62.100 0.111 0.000 1.140 207 T CB -0.156 68.782 68.868 0.116 0.000 0.872 207 T HN 0.312 nan 8.240 nan 0.000 0.446 208 M N 0.475 120.048 119.600 -0.046 0.000 2.108 208 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 208 M C 2.230 178.613 176.300 0.138 0.000 1.066 208 M CA 1.348 56.546 55.300 -0.170 0.000 1.107 208 M CB -0.474 31.774 32.600 -0.586 0.000 1.356 208 M HN 0.167 nan 8.290 nan 0.000 0.406 209 L N 0.487 121.938 121.223 0.380 0.000 2.012 209 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 209 L C 2.213 179.161 176.870 0.129 0.000 1.073 209 L CA 1.651 56.691 54.840 0.333 0.000 0.748 209 L CB -0.828 41.365 42.059 0.224 0.000 0.891 209 L HN 0.209 nan 8.230 nan 0.000 0.431 210 L N -0.632 120.625 121.223 0.057 0.000 2.013 210 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 210 L C 2.658 179.561 176.870 0.056 0.000 1.073 210 L CA 2.608 57.449 54.840 0.000 0.000 0.753 210 L CB -1.013 41.026 42.059 -0.033 0.000 0.890 210 L HN 0.648 nan 8.230 nan 0.000 0.432 211 T N -4.700 109.913 114.554 0.099 0.000 2.867 211 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 211 T C 1.629 176.388 174.700 0.097 0.000 1.057 211 T CA 1.292 63.461 62.100 0.115 0.000 1.136 211 T CB -0.579 68.394 68.868 0.175 0.000 0.874 211 T HN 0.303 nan 8.240 nan 0.000 0.466 212 D N 1.254 121.720 120.400 0.111 0.000 2.178 212 D HA 0.047 4.687 4.640 -0.000 0.000 0.202 212 D C 2.459 178.794 176.300 0.059 0.000 0.974 212 D CA 0.795 54.840 54.000 0.074 0.000 0.841 212 D CB -0.143 40.723 40.800 0.109 0.000 0.953 212 D HN 0.454 nan 8.370 nan 0.000 0.478 213 R N -0.256 120.280 120.500 0.061 0.000 2.153 213 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 213 R C 1.079 177.404 176.300 0.042 0.000 1.072 213 R CA 0.722 56.848 56.100 0.044 0.000 0.990 213 R CB 0.212 30.528 30.300 0.027 0.000 0.889 213 R HN 0.156 nan 8.270 nan 0.000 0.452 214 N N -0.948 117.780 118.700 0.047 0.000 2.166 214 N HA 0.120 4.860 4.740 -0.000 0.000 0.222 214 N C 0.625 176.162 175.510 0.045 0.000 1.282 214 N CA 0.240 53.320 53.050 0.050 0.000 0.890 214 N CB 1.205 39.732 38.487 0.068 0.000 1.114 214 N HN 0.090 nan 8.380 nan 0.000 0.494 215 L N 0.724 121.971 121.223 0.041 0.000 3.069 215 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 215 L C -0.163 176.710 176.870 0.005 0.000 1.201 215 L CA -0.037 54.821 54.840 0.029 0.000 1.015 215 L CB 0.080 42.165 42.059 0.042 0.000 1.371 215 L HN -0.069 nan 8.230 nan 0.000 0.574 216 N N 0.596 119.295 118.700 -0.000 0.000 2.741 216 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 216 N C 0.571 176.040 175.510 -0.067 0.000 1.115 216 N CA 1.355 54.391 53.050 -0.024 0.000 0.724 216 N CB -1.433 37.042 38.487 -0.020 0.000 1.090 216 N HN 0.573 nan 8.380 nan 0.000 0.558 217 T N -2.269 112.237 114.554 -0.080 0.000 2.788 217 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 217 T C 1.142 175.717 174.700 -0.209 0.000 1.007 217 T CA 0.400 62.373 62.100 -0.211 0.000 1.005 217 T CB 1.511 70.223 68.868 -0.259 0.000 1.012 217 T HN 0.276 nan 8.240 nan 0.000 0.530 218 T N -1.621 112.714 114.554 -0.365 0.000 3.823 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.261 218 T C 0.581 175.096 174.700 -0.308 0.000 0.983 218 T CA -0.670 61.286 62.100 -0.239 0.000 1.151 218 T CB -0.943 67.830 68.868 -0.159 0.000 1.062 218 T HN 0.464 nan 8.240 nan 0.000 0.542 219 F N 0.734 120.472 119.950 -0.353 0.000 2.126 219 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 219 F C 1.308 176.878 175.800 -0.384 0.000 1.096 219 F CA 1.233 58.918 58.000 -0.524 0.000 1.255 219 F CB -0.301 38.046 39.000 -1.089 0.000 0.997 219 F HN 0.361 nan 8.300 nan 0.000 0.479 220 F N -1.344 118.732 119.950 0.210 0.000 2.661 220 F HA 0.211 4.738 4.527 -0.000 0.000 0.306 220 F C 0.161 176.001 175.800 0.068 0.000 1.094 220 F CA -0.904 57.175 58.000 0.130 0.000 1.254 220 F CB -0.416 38.650 39.000 0.110 0.000 1.040 220 F HN -0.248 nan 8.300 nan 0.000 0.562 221 D N 1.561 122.043 120.400 0.136 0.000 2.392 221 D HA 0.263 4.903 4.640 -0.000 0.000 0.228 221 D C -2.018 174.315 176.300 0.055 0.000 1.074 221 D CA -2.560 51.489 54.000 0.083 0.000 0.838 221 D CB 2.027 42.850 40.800 0.038 0.000 1.067 221 D HN -0.107 nan 8.370 nan 0.000 0.511 222 P HA -0.111 nan 4.420 nan 0.000 0.219 222 P C 1.041 178.357 177.300 0.027 0.000 1.146 222 P CA 1.072 64.202 63.100 0.050 0.000 0.808 222 P CB 0.211 31.942 31.700 0.052 0.000 0.779 223 A N -0.145 122.687 122.820 0.020 0.000 1.978 223 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 223 A C 2.203 179.782 177.584 -0.008 0.000 1.170 223 A CA 1.920 53.962 52.037 0.008 0.000 0.636 223 A CB -1.600 17.405 19.000 0.007 0.000 0.810 223 A HN 0.329 nan 8.150 nan 0.000 0.448 224 G N -2.585 106.202 108.800 -0.021 0.000 3.337 224 G HA2 0.418 4.378 3.960 -0.000 0.000 0.246 224 G HA3 0.418 4.378 3.960 -0.000 0.000 0.246 224 G C 0.957 175.829 174.900 -0.045 0.000 1.131 224 G CA 0.433 45.505 45.100 -0.046 0.000 0.773 224 G HN 1.591 nan 8.290 nan 0.000 0.544 225 G N -1.356 107.434 108.800 -0.016 0.000 2.141 225 G HA2 0.016 3.976 3.960 -0.000 0.000 0.231 225 G HA3 0.016 3.976 3.960 -0.000 0.000 0.231 225 G C 0.699 175.607 174.900 0.013 0.000 0.984 225 G CA 0.121 45.218 45.100 -0.004 0.000 0.660 225 G HN 0.978 nan 8.290 nan 0.000 0.525 226 G N -1.065 107.748 108.800 0.022 0.000 2.583 226 G HA2 0.588 4.548 3.960 -0.000 0.000 0.280 226 G HA3 0.588 4.548 3.960 -0.000 0.000 0.280 226 G C -1.100 173.877 174.900 0.128 0.000 1.376 226 G CA 0.403 45.541 45.100 0.065 0.000 1.043 226 G HN 0.446 nan 8.290 nan 0.000 0.538 227 D N -1.738 118.795 120.400 0.221 0.000 2.891 227 D HA 0.344 4.984 4.640 -0.000 0.000 0.224 227 D C -2.088 174.381 176.300 0.283 0.000 1.321 227 D CA -1.530 52.599 54.000 0.216 0.000 0.929 227 D CB 2.319 43.238 40.800 0.199 0.000 1.551 227 D HN -0.060 nan 8.370 nan 0.000 0.574 228 P HA -0.023 nan 4.420 nan 0.000 0.220 228 P C 1.495 178.777 177.300 -0.030 0.000 1.148 228 P CA 0.400 63.544 63.100 0.072 0.000 0.803 228 P CB 0.389 32.099 31.700 0.017 0.000 0.782 229 I N -1.365 119.220 120.570 0.026 0.000 2.761 229 I HA -0.087 4.083 4.170 -0.000 0.000 0.261 229 I C 2.089 178.236 176.117 0.050 0.000 1.198 229 I CA 0.626 61.904 61.300 -0.035 0.000 1.482 229 I CB -1.524 36.496 38.000 0.032 0.000 1.100 229 I HN -0.013 nan 8.210 nan 0.000 0.445 230 L N 0.697 122.039 121.223 0.198 0.000 2.042 230 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 230 L C 2.641 179.574 176.870 0.105 0.000 1.076 230 L CA 1.863 56.872 54.840 0.281 0.000 0.749 230 L CB -1.044 41.260 42.059 0.409 0.000 0.893 230 L HN 0.251 nan 8.230 nan 0.000 0.432 231 Y N 0.108 120.184 120.300 -0.375 0.000 2.165 231 Y HA -0.318 4.232 4.550 -0.000 0.000 0.286 231 Y C 2.539 178.214 175.900 -0.375 0.000 1.155 231 Y CA 2.209 59.846 58.100 -0.771 0.000 1.164 231 Y CB -0.217 37.428 38.460 -1.358 0.000 0.978 231 Y HN 0.390 nan 8.280 nan 0.000 0.513 232 Q N -1.044 118.593 119.800 -0.270 0.000 2.096 232 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 232 Q C 2.081 178.076 176.000 -0.009 0.000 0.982 232 Q CA 1.586 57.248 55.803 -0.234 0.000 0.850 232 Q CB -0.379 28.171 28.738 -0.312 0.000 0.901 232 Q HN 0.631 nan 8.270 nan 0.000 0.422 233 H N 0.470 119.601 119.070 0.102 0.000 2.321 233 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 233 H C 2.213 177.511 175.328 -0.050 0.000 1.087 233 H CA 1.190 57.354 56.048 0.193 0.000 1.319 233 H CB -0.153 29.729 29.762 0.200 0.000 1.379 233 H HN 0.211 nan 8.280 nan 0.000 0.501 234 L N -0.684 120.514 121.223 -0.042 0.000 2.027 234 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 234 L C 2.536 179.280 176.870 -0.211 0.000 1.074 234 L CA 0.895 55.641 54.840 -0.156 0.000 0.745 234 L CB -0.549 41.385 42.059 -0.208 0.000 0.898 234 L HN 0.096 nan 8.230 nan 0.000 0.433 235 F N -0.104 119.509 119.950 -0.561 0.000 2.065 235 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 235 F C 2.049 177.600 175.800 -0.415 0.000 1.112 235 F CA 1.842 59.465 58.000 -0.628 0.000 1.212 235 F CB -0.381 38.042 39.000 -0.961 0.000 0.975 235 F HN -0.013 nan 8.300 nan 0.000 0.476 236 W N -1.362 119.983 121.300 0.075 0.000 2.584 236 W HA -0.085 4.575 4.660 -0.000 0.000 0.264 236 W C 2.184 178.674 176.519 -0.048 0.000 1.264 236 W CA 0.347 57.715 57.345 0.039 0.000 1.306 236 W CB -0.490 29.123 29.460 0.255 0.000 1.110 236 W HN 0.085 nan 8.180 nan 0.000 0.606 237 F N -0.087 119.763 119.950 -0.167 0.000 2.216 237 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 237 F C 2.194 177.927 175.800 -0.111 0.000 1.085 237 F CA 1.610 59.418 58.000 -0.320 0.000 1.326 237 F CB -0.525 38.144 39.000 -0.552 0.000 1.027 237 F HN -0.037 nan 8.300 nan 0.000 0.497 238 F N 0.350 120.149 119.950 -0.251 0.000 2.187 238 F HA 0.160 4.687 4.527 -0.000 0.000 0.295 238 F C 2.233 177.807 175.800 -0.378 0.000 1.091 238 F CA 1.537 59.341 58.000 -0.326 0.000 1.308 238 F CB -1.178 37.581 39.000 -0.402 0.000 1.030 238 F HN -0.115 nan 8.300 nan 0.000 0.487 239 G N -1.083 107.260 108.800 -0.763 0.000 2.432 239 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 239 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 239 G C 1.391 176.136 174.900 -0.257 0.000 1.135 239 G CA 1.144 45.753 45.100 -0.818 0.000 0.767 239 G HN 0.554 nan 8.290 nan 0.000 0.550 240 H N 1.638 120.698 119.070 -0.017 0.000 2.307 240 H HA 0.037 4.593 4.556 -0.000 0.000 0.303 240 H C 0.174 175.460 175.328 -0.071 0.000 1.073 240 H CA 1.339 57.445 56.048 0.096 0.000 1.338 240 H CB -0.579 29.318 29.762 0.224 0.000 1.389 240 H HN 0.222 nan 8.280 nan 0.000 0.503 241 P HA -0.205 nan 4.420 nan 0.000 0.216 241 P C 1.282 178.318 177.300 -0.438 0.000 1.154 241 P CA 2.090 64.921 63.100 -0.448 0.000 0.865 241 P CB 0.000 31.173 31.700 -0.878 0.000 0.789 242 E N 0.031 119.817 120.200 -0.689 0.000 2.130 242 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 242 E C 1.712 178.013 176.600 -0.498 0.000 0.998 242 E CA 1.593 57.595 56.400 -0.663 0.000 0.806 242 E CB -1.215 27.896 29.700 -0.981 0.000 0.738 242 E HN 0.181 nan 8.360 nan 0.000 0.459 243 V N -1.323 118.249 119.914 -0.570 0.000 2.719 243 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 243 V C 1.815 177.490 176.094 -0.699 0.000 1.065 243 V CA 1.474 63.400 62.300 -0.623 0.000 1.086 243 V CB -0.993 30.439 31.823 -0.652 0.000 0.700 243 V HN 0.224 nan 8.190 nan 0.000 0.467 244 Y N 0.481 120.582 120.300 -0.333 0.000 2.314 244 Y HA 0.137 4.687 4.550 -0.000 0.000 0.293 244 Y C 2.318 178.092 175.900 -0.209 0.000 1.129 244 Y CA 1.610 59.584 58.100 -0.210 0.000 1.201 244 Y CB -0.532 37.856 38.460 -0.119 0.000 0.999 244 Y HN 0.203 nan 8.280 nan 0.000 0.541 245 I N -0.520 119.974 120.570 -0.127 0.000 2.286 245 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 245 I C 1.902 177.918 176.117 -0.169 0.000 1.115 245 I CA 1.297 62.524 61.300 -0.122 0.000 1.392 245 I CB -0.288 37.636 38.000 -0.127 0.000 1.065 245 I HN 0.207 nan 8.210 nan 0.000 0.418 246 L N -0.609 120.467 121.223 -0.245 0.000 2.217 246 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 246 L C 2.237 178.979 176.870 -0.214 0.000 1.107 246 L CA 0.791 55.491 54.840 -0.233 0.000 0.783 246 L CB -0.109 41.769 42.059 -0.303 0.000 0.919 246 L HN 0.237 nan 8.230 nan 0.000 0.442 247 I N -1.102 119.293 120.570 -0.291 0.000 3.526 247 I HA -0.059 4.111 4.170 -0.000 0.000 0.294 247 I C 2.026 177.807 176.117 -0.560 0.000 1.229 247 I CA 0.793 61.848 61.300 -0.407 0.000 1.408 247 I CB 0.169 37.839 38.000 -0.550 0.000 1.127 247 I HN 0.015 nan 8.210 nan 0.000 0.439 248 L N 1.277 122.277 121.223 -0.372 0.000 2.013 248 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 248 L C -0.398 176.451 176.870 -0.035 0.000 1.073 248 L CA 1.874 56.606 54.840 -0.179 0.000 0.753 248 L CB -1.923 40.131 42.059 -0.010 0.000 0.890 248 L HN 0.208 nan 8.230 nan 0.000 0.432 249 P HA -0.115 nan 4.420 nan 0.000 0.218 249 P C 1.546 178.948 177.300 0.169 0.000 1.149 249 P CA 1.594 64.732 63.100 0.064 0.000 0.817 249 P CB -0.200 31.531 31.700 0.052 0.000 0.785 250 G N -0.812 108.002 108.800 0.023 0.000 2.491 250 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 250 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 250 G C 1.470 176.370 174.900 -0.000 0.000 1.180 250 G CA 0.427 45.503 45.100 -0.040 0.000 0.774 250 G HN 0.234 nan 8.290 nan 0.000 0.562 251 F N 1.299 121.253 119.950 0.007 0.000 2.202 251 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 251 F C 2.935 178.890 175.800 0.259 0.000 1.082 251 F CA 0.252 58.359 58.000 0.178 0.000 1.313 251 F CB -0.028 39.150 39.000 0.296 0.000 1.024 251 F HN 0.291 nan 8.300 nan 0.000 0.495 252 G N 0.017 109.096 108.800 0.465 0.000 2.404 252 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 252 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 252 G C 1.591 176.806 174.900 0.525 0.000 1.189 252 G CA 0.417 45.844 45.100 0.544 0.000 0.789 252 G HN 0.160 nan 8.290 nan 0.000 0.533 253 M N 0.317 120.111 119.600 0.324 0.000 2.080 253 M HA -0.029 4.451 4.480 -0.000 0.000 0.260 253 M C 2.538 178.876 176.300 0.063 0.000 1.068 253 M CA 1.090 56.454 55.300 0.107 0.000 1.109 253 M CB -0.411 32.133 32.600 -0.093 0.000 1.342 253 M HN 0.110 nan 8.290 nan 0.000 0.405 254 I N -0.024 120.467 120.570 -0.130 0.000 2.163 254 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 254 I C 2.456 178.467 176.117 -0.177 0.000 1.085 254 I CA 1.578 62.640 61.300 -0.397 0.000 1.347 254 I CB -1.408 35.990 38.000 -1.004 0.000 1.044 254 I HN 0.261 nan 8.210 nan 0.000 0.408 255 S N -0.601 115.219 115.700 0.200 0.000 2.383 255 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 255 S C 1.866 176.644 174.600 0.296 0.000 1.030 255 S CA 1.022 59.479 58.200 0.428 0.000 1.002 255 S CB -0.428 63.121 63.200 0.582 0.000 0.829 255 S HN 0.507 nan 8.310 nan 0.000 0.467 256 H N 0.037 119.230 119.070 0.206 0.000 2.436 256 H HA 0.130 4.686 4.556 -0.000 0.000 0.294 256 H C 2.059 177.393 175.328 0.010 0.000 1.048 256 H CA 1.081 57.249 56.048 0.199 0.000 1.353 256 H CB -0.028 29.936 29.762 0.337 0.000 1.414 256 H HN 0.352 nan 8.280 nan 0.000 0.536 257 I N 0.172 120.744 120.570 0.004 0.000 2.233 257 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 257 I C 2.480 178.617 176.117 0.033 0.000 1.093 257 I CA 0.605 61.809 61.300 -0.159 0.000 1.380 257 I CB -0.102 37.776 38.000 -0.203 0.000 1.067 257 I HN -0.007 nan 8.210 nan 0.000 0.413 258 V N 0.529 120.446 119.914 0.004 0.000 2.295 258 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 258 V C 2.526 178.668 176.094 0.081 0.000 1.049 258 V CA 2.516 64.837 62.300 0.035 0.000 1.024 258 V CB -0.951 30.877 31.823 0.009 0.000 0.648 258 V HN 0.466 nan 8.190 nan 0.000 0.447 259 T N -1.037 113.582 114.554 0.107 0.000 2.684 259 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 259 T C 1.735 176.446 174.700 0.020 0.000 1.036 259 T CA 2.326 64.478 62.100 0.087 0.000 1.148 259 T CB -0.422 68.504 68.868 0.096 0.000 0.863 259 T HN 0.568 nan 8.240 nan 0.000 0.436 260 Y N 0.579 120.788 120.300 -0.151 0.000 2.114 260 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 260 Y C 1.835 177.466 175.900 -0.448 0.000 1.143 260 Y CA 1.367 59.268 58.100 -0.333 0.000 1.135 260 Y CB -0.301 37.827 38.460 -0.553 0.000 0.980 260 Y HN 0.255 nan 8.280 nan 0.000 0.499 261 Y N -0.992 119.346 120.300 0.062 0.000 2.578 261 Y HA 0.007 4.557 4.550 -0.000 0.000 0.297 261 Y C 2.103 177.913 175.900 -0.149 0.000 1.176 261 Y CA 0.775 58.838 58.100 -0.062 0.000 1.315 261 Y CB -0.167 38.237 38.460 -0.093 0.000 1.031 261 Y HN 0.015 nan 8.280 nan 0.000 0.524 262 S N -0.771 114.911 115.700 -0.030 0.000 2.575 262 S HA 0.204 4.674 4.470 -0.000 0.000 0.215 262 S C 1.686 176.229 174.600 -0.096 0.000 0.966 262 S CA 0.582 58.746 58.200 -0.059 0.000 0.911 262 S CB -0.214 62.977 63.200 -0.015 0.000 0.780 262 S HN 0.665 nan 8.310 nan 0.000 0.514 263 G N 1.978 110.676 108.800 -0.170 0.000 2.176 263 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.252 263 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.252 263 G C -0.167 174.640 174.900 -0.155 0.000 1.024 263 G CA -0.047 44.930 45.100 -0.205 0.000 0.755 263 G HN 0.283 nan 8.290 nan 0.000 0.507 264 K N -0.200 120.127 120.400 -0.123 0.000 2.166 264 K HA 0.458 4.778 4.320 -0.000 0.000 0.245 264 K C 1.346 177.915 176.600 -0.053 0.000 0.967 264 K CA -0.405 55.850 56.287 -0.054 0.000 0.863 264 K CB 1.423 33.930 32.500 0.011 0.000 1.107 264 K HN 0.399 nan 8.250 nan 0.000 0.436 265 K N 0.015 120.402 120.400 -0.021 0.000 2.393 265 K HA 0.041 4.361 4.320 -0.000 0.000 0.193 265 K C -0.011 176.601 176.600 0.021 0.000 1.026 265 K CA 0.456 56.736 56.287 -0.011 0.000 1.064 265 K CB 0.439 32.933 32.500 -0.010 0.000 0.833 265 K HN 0.657 nan 8.250 nan 0.000 0.521 266 E N 0.732 120.956 120.200 0.039 0.000 2.388 266 E HA 0.306 4.656 4.350 -0.000 0.000 0.280 266 E C -3.122 173.546 176.600 0.114 0.000 1.019 266 E CA -2.234 54.206 56.400 0.067 0.000 0.806 266 E CB 1.486 31.212 29.700 0.042 0.000 1.246 266 E HN -0.176 nan 8.360 nan 0.000 0.443 267 P HA 0.091 nan 4.420 nan 0.000 0.271 267 P C -0.531 176.909 177.300 0.234 0.000 1.218 267 P CA -0.310 62.926 63.100 0.227 0.000 0.780 267 P CB 0.404 32.258 31.700 0.255 0.000 0.901 268 F N 2.100 122.126 119.950 0.126 0.000 2.572 268 F HA 0.321 4.848 4.527 -0.000 0.000 0.370 268 F C 1.432 177.283 175.800 0.085 0.000 1.103 268 F CA 1.452 59.512 58.000 0.099 0.000 1.286 268 F CB -0.109 38.948 39.000 0.096 0.000 1.105 268 F HN 0.713 nan 8.300 nan 0.000 0.583 269 G N 5.677 114.139 108.800 -0.564 0.000 2.350 269 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.298 269 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.298 269 G C 0.472 175.351 174.900 -0.033 0.000 1.037 269 G CA 0.594 45.493 45.100 -0.335 0.000 1.074 269 G HN 1.056 nan 8.290 nan 0.000 0.511 270 Y N 0.145 120.386 120.300 -0.098 0.000 2.062 270 Y HA -0.325 4.225 4.550 -0.000 0.000 0.276 270 Y C 2.688 178.557 175.900 -0.051 0.000 1.189 270 Y CA 2.824 60.908 58.100 -0.027 0.000 1.130 270 Y CB -0.068 38.398 38.460 0.011 0.000 0.959 270 Y HN 0.409 nan 8.280 nan 0.000 0.499 271 M N -0.469 119.166 119.600 0.058 0.000 2.319 271 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 271 M C 2.345 178.587 176.300 -0.097 0.000 1.068 271 M CA 1.293 56.550 55.300 -0.070 0.000 1.118 271 M CB -1.649 30.933 32.600 -0.029 0.000 1.395 271 M HN 0.502 nan 8.290 nan 0.000 0.435 272 G N -0.342 108.425 108.800 -0.055 0.000 2.484 272 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 272 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 272 G C 1.543 176.478 174.900 0.058 0.000 1.130 272 G CA 0.299 45.420 45.100 0.036 0.000 0.784 272 G HN 0.239 nan 8.290 nan 0.000 0.543 273 M N 0.400 119.941 119.600 -0.099 0.000 2.193 273 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 273 M C 2.741 178.894 176.300 -0.245 0.000 1.071 273 M CA 0.621 55.821 55.300 -0.166 0.000 1.140 273 M CB -0.896 31.603 32.600 -0.168 0.000 1.369 273 M HN 0.094 nan 8.290 nan 0.000 0.423 274 V N -0.686 118.969 119.914 -0.433 0.000 2.233 274 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 274 V C 2.092 177.975 176.094 -0.352 0.000 1.050 274 V CA 2.156 64.065 62.300 -0.652 0.000 1.010 274 V CB -1.011 30.152 31.823 -1.099 0.000 0.637 274 V HN 0.637 nan 8.190 nan 0.000 0.444 275 W N 1.093 122.196 121.300 -0.329 0.000 2.304 275 W HA -0.298 4.362 4.660 -0.000 0.000 0.315 275 W C 2.425 178.863 176.519 -0.135 0.000 1.233 275 W CA 2.617 59.843 57.345 -0.198 0.000 1.261 275 W CB -0.436 28.931 29.460 -0.155 0.000 1.150 275 W HN 0.210 nan 8.180 nan 0.000 0.494 276 A N -0.002 122.698 122.820 -0.200 0.000 1.898 276 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 276 A C 2.048 179.442 177.584 -0.317 0.000 1.181 276 A CA 1.956 53.764 52.037 -0.382 0.000 0.620 276 A CB -0.810 18.117 19.000 -0.121 0.000 0.819 276 A HN 0.423 nan 8.150 nan 0.000 0.442 277 M N -1.164 118.326 119.600 -0.184 0.000 2.200 277 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 277 M C 2.350 178.610 176.300 -0.066 0.000 1.066 277 M CA 1.238 56.514 55.300 -0.039 0.000 1.127 277 M CB -0.401 32.223 32.600 0.039 0.000 1.379 277 M HN 0.401 nan 8.290 nan 0.000 0.420 278 M N -0.586 118.922 119.600 -0.153 0.000 2.099 278 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 278 M C 2.317 178.542 176.300 -0.126 0.000 1.067 278 M CA 1.472 56.717 55.300 -0.091 0.000 1.124 278 M CB -0.827 31.699 32.600 -0.123 0.000 1.353 278 M HN 0.206 nan 8.290 nan 0.000 0.410 279 S N 1.219 116.695 115.700 -0.373 0.000 2.365 279 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 279 S C 1.883 176.388 174.600 -0.159 0.000 1.039 279 S CA 1.396 59.378 58.200 -0.364 0.000 1.033 279 S CB -0.489 62.196 63.200 -0.857 0.000 0.887 279 S HN 0.361 nan 8.310 nan 0.000 0.447 280 I N 1.221 121.679 120.570 -0.187 0.000 2.226 280 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 280 I C 2.607 178.622 176.117 -0.171 0.000 1.100 280 I CA 1.202 62.411 61.300 -0.152 0.000 1.374 280 I CB -0.658 37.336 38.000 -0.010 0.000 1.057 280 I HN 0.387 nan 8.210 nan 0.000 0.413 281 G N 0.158 108.940 108.800 -0.030 0.000 2.408 281 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 281 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 281 G C 1.554 176.557 174.900 0.172 0.000 1.150 281 G CA 0.369 45.504 45.100 0.058 0.000 0.776 281 G HN 0.354 nan 8.290 nan 0.000 0.542 282 F N 1.220 121.195 119.950 0.042 0.000 2.098 282 F HA 0.116 4.643 4.527 -0.000 0.000 0.294 282 F C 2.400 178.266 175.800 0.110 0.000 1.107 282 F CA 1.061 59.127 58.000 0.109 0.000 1.234 282 F CB -0.296 38.721 39.000 0.027 0.000 1.002 282 F HN 0.009 nan 8.300 nan 0.000 0.472 283 L N 0.278 121.469 121.223 -0.053 0.000 2.187 283 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 283 L C 2.586 179.323 176.870 -0.222 0.000 1.100 283 L CA 1.172 55.914 54.840 -0.162 0.000 0.765 283 L CB -1.441 40.575 42.059 -0.071 0.000 0.904 283 L HN 0.415 nan 8.230 nan 0.000 0.437 284 G N -1.155 107.486 108.800 -0.266 0.000 2.598 284 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 284 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 284 G C 1.137 175.910 174.900 -0.213 0.000 1.131 284 G CA 0.019 44.960 45.100 -0.265 0.000 0.785 284 G HN 0.280 nan 8.290 nan 0.000 0.539 285 F N 0.328 120.183 119.950 -0.159 0.000 2.765 285 F HA 0.302 4.829 4.527 -0.000 0.000 0.302 285 F C 1.767 177.594 175.800 0.045 0.000 1.111 285 F CA -0.041 57.853 58.000 -0.176 0.000 1.359 285 F CB 0.408 39.275 39.000 -0.222 0.000 1.097 285 F HN 0.204 nan 8.300 nan 0.000 0.577 286 I N -1.966 118.713 120.570 0.181 0.000 3.707 286 I HA 0.257 4.427 4.170 -0.000 0.000 0.330 286 I C 0.359 176.640 176.117 0.273 0.000 1.572 286 I CA -0.041 61.461 61.300 0.337 0.000 1.104 286 I CB 0.137 38.222 38.000 0.142 0.000 1.240 286 I HN -0.089 nan 8.210 nan 0.000 0.475 287 V N -3.342 116.719 119.914 0.244 0.000 3.398 287 V HA 0.216 4.336 4.120 -0.000 0.000 0.298 287 V C 1.615 177.559 176.094 -0.250 0.000 1.496 287 V CA -0.202 62.153 62.300 0.092 0.000 1.044 287 V CB -0.885 30.835 31.823 -0.170 0.000 0.880 287 V HN 0.688 nan 8.190 nan 0.000 0.443 288 W N 1.814 123.076 121.300 -0.064 0.000 2.392 288 W HA 0.185 4.845 4.660 -0.000 0.000 0.279 288 W C 1.773 178.008 176.519 -0.473 0.000 1.225 288 W CA 1.333 58.554 57.345 -0.206 0.000 1.233 288 W CB -0.707 28.828 29.460 0.125 0.000 1.122 288 W HN 0.226 nan 8.180 nan 0.000 0.561 289 A N 1.930 123.767 122.820 -1.638 0.000 2.239 289 A HA -0.131 4.189 4.320 -0.000 0.000 0.209 289 A C 1.770 178.523 177.584 -1.385 0.000 1.171 289 A CA 1.006 52.123 52.037 -1.533 0.000 0.768 289 A CB -1.844 15.939 19.000 -2.028 0.000 0.790 289 A HN 0.784 nan 8.150 nan 0.000 0.478 290 H N -2.665 115.653 119.070 -1.253 0.000 2.568 290 H HA -0.039 4.517 4.556 -0.000 0.000 0.281 290 H C 0.744 175.277 175.328 -1.325 0.000 1.028 290 H CA 0.987 56.057 56.048 -1.630 0.000 1.199 290 H CB -0.303 28.920 29.762 -0.898 0.000 1.352 290 H HN 0.662 nan 8.280 nan 0.000 0.605 291 H N 0.440 119.068 119.070 -0.737 0.000 2.551 291 H HA 0.197 4.753 4.556 -0.000 0.000 0.271 291 H C 0.631 175.629 175.328 -0.551 0.000 0.984 291 H CA 0.257 55.844 56.048 -0.767 0.000 1.164 291 H CB 0.528 29.270 29.762 -1.700 0.000 1.437 291 H HN 0.490 nan 8.280 nan 0.000 0.550 292 M N -0.354 118.931 119.600 -0.525 0.000 2.705 292 M HA 0.139 4.619 4.480 -0.000 0.000 0.387 292 M C 0.082 176.213 176.300 -0.281 0.000 1.204 292 M CA -0.191 54.901 55.300 -0.348 0.000 0.905 292 M CB 0.441 32.870 32.600 -0.285 0.000 1.394 292 M HN -0.084 nan 8.290 nan 0.000 0.515 293 F N 0.663 120.432 119.950 -0.303 0.000 2.699 293 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 293 F C 2.393 178.075 175.800 -0.196 0.000 1.154 293 F CA 0.993 58.861 58.000 -0.220 0.000 1.457 293 F CB -0.605 38.287 39.000 -0.181 0.000 1.106 293 F HN 0.252 nan 8.300 nan 0.000 0.585 294 T N -3.448 111.033 114.554 -0.122 0.000 3.105 294 T HA 0.122 4.472 4.350 -0.000 0.000 0.253 294 T C 1.566 176.255 174.700 -0.017 0.000 1.047 294 T CA 0.674 62.739 62.100 -0.059 0.000 0.944 294 T CB -0.692 68.143 68.868 -0.056 0.000 1.016 294 T HN 0.133 nan 8.240 nan 0.000 0.544 295 V N -1.728 118.171 119.914 -0.026 0.000 3.461 295 V HA 0.566 4.686 4.120 -0.000 0.000 0.267 295 V C 1.346 177.458 176.094 0.029 0.000 1.186 295 V CA 0.283 62.584 62.300 0.001 0.000 1.154 295 V CB -1.197 30.610 31.823 -0.027 0.000 0.802 295 V HN 0.773 nan 8.190 nan 0.000 0.474 296 G N 0.476 109.298 108.800 0.037 0.000 2.683 296 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.234 296 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.234 296 G C -0.454 174.484 174.900 0.064 0.000 1.135 296 G CA 0.121 45.251 45.100 0.049 0.000 0.975 296 G HN 0.468 nan 8.290 nan 0.000 0.511 297 M N 0.475 120.119 119.600 0.073 0.000 2.423 297 M HA 0.350 4.830 4.480 -0.000 0.000 0.335 297 M C 0.123 176.478 176.300 0.092 0.000 1.177 297 M CA -0.853 54.506 55.300 0.099 0.000 1.038 297 M CB 0.791 33.464 32.600 0.123 0.000 1.641 297 M HN 0.165 nan 8.290 nan 0.000 0.455 298 D N 1.041 121.500 120.400 0.098 0.000 2.378 298 D HA -0.036 4.604 4.640 -0.000 0.000 0.238 298 D C 0.864 177.212 176.300 0.080 0.000 1.180 298 D CA -0.003 54.044 54.000 0.078 0.000 0.895 298 D CB 1.074 41.921 40.800 0.079 0.000 1.192 298 D HN 0.338 nan 8.370 nan 0.000 0.438 299 V N 1.480 121.427 119.914 0.054 0.000 2.427 299 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 299 V C 1.233 177.361 176.094 0.057 0.000 1.051 299 V CA 1.839 64.162 62.300 0.040 0.000 1.048 299 V CB -0.109 31.724 31.823 0.016 0.000 0.666 299 V HN 0.408 nan 8.190 nan 0.000 0.456 300 D N -0.717 119.722 120.400 0.065 0.000 2.149 300 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 300 D C 2.215 178.593 176.300 0.130 0.000 0.972 300 D CA 1.641 55.686 54.000 0.074 0.000 0.835 300 D CB -0.446 40.387 40.800 0.056 0.000 0.966 300 D HN 0.416 nan 8.370 nan 0.000 0.476 301 T N 1.005 115.656 114.554 0.161 0.000 2.665 301 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 301 T C 2.002 176.952 174.700 0.418 0.000 1.035 301 T CA 1.138 63.410 62.100 0.286 0.000 1.151 301 T CB -0.043 68.991 68.868 0.276 0.000 0.862 301 T HN 0.157 nan 8.240 nan 0.000 0.438 302 R N 0.616 121.285 120.500 0.282 0.000 2.081 302 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 302 R C 2.790 179.167 176.300 0.128 0.000 1.131 302 R CA 1.262 57.505 56.100 0.239 0.000 0.960 302 R CB -0.445 29.873 30.300 0.030 0.000 0.856 302 R HN 0.371 nan 8.270 nan 0.000 0.436 303 A N 0.407 123.274 122.820 0.079 0.000 1.933 303 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 303 A C 1.973 179.574 177.584 0.029 0.000 1.175 303 A CA 1.246 53.297 52.037 0.023 0.000 0.628 303 A CB -0.653 18.360 19.000 0.022 0.000 0.814 303 A HN 0.499 nan 8.150 nan 0.000 0.444 304 Y N -0.789 119.504 120.300 -0.012 0.000 2.163 304 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 304 Y C 1.811 177.622 175.900 -0.148 0.000 1.136 304 Y CA 1.674 59.698 58.100 -0.127 0.000 1.147 304 Y CB -0.529 37.777 38.460 -0.255 0.000 0.987 304 Y HN 0.228 nan 8.280 nan 0.000 0.509 305 F N 0.118 119.940 119.950 -0.213 0.000 2.325 305 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 305 F C 2.449 178.206 175.800 -0.072 0.000 1.090 305 F CA 1.748 59.593 58.000 -0.258 0.000 1.392 305 F CB -0.825 38.178 39.000 0.005 0.000 1.053 305 F HN 0.000 nan 8.300 nan 0.000 0.521 306 T N -1.026 113.621 114.554 0.156 0.000 2.708 306 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 306 T C 2.284 176.946 174.700 -0.063 0.000 1.037 306 T CA 1.803 63.935 62.100 0.055 0.000 1.146 306 T CB -0.352 68.455 68.868 -0.102 0.000 0.865 306 T HN 0.166 nan 8.240 nan 0.000 0.435 307 S N 1.470 117.078 115.700 -0.153 0.000 2.356 307 S HA -0.028 4.442 4.470 -0.000 0.000 0.223 307 S C 2.579 177.055 174.600 -0.206 0.000 1.032 307 S CA 1.013 59.117 58.200 -0.160 0.000 1.005 307 S CB -0.618 62.499 63.200 -0.138 0.000 0.867 307 S HN 0.574 nan 8.310 nan 0.000 0.449 308 A N 1.313 123.883 122.820 -0.417 0.000 1.933 308 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 308 A C 2.320 179.797 177.584 -0.179 0.000 1.175 308 A CA 2.047 53.859 52.037 -0.375 0.000 0.628 308 A CB -1.325 17.230 19.000 -0.742 0.000 0.814 308 A HN 0.474 nan 8.150 nan 0.000 0.444 309 T N 0.067 114.554 114.554 -0.113 0.000 2.708 309 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 309 T C 1.946 176.635 174.700 -0.019 0.000 1.037 309 T CA 1.771 63.871 62.100 -0.001 0.000 1.146 309 T CB -0.316 68.612 68.868 0.101 0.000 0.865 309 T HN 0.448 nan 8.240 nan 0.000 0.435 310 M N 0.348 119.929 119.600 -0.033 0.000 2.202 310 M HA -0.023 4.457 4.480 -0.000 0.000 0.262 310 M C 2.193 178.493 176.300 0.001 0.000 1.063 310 M CA 1.431 56.719 55.300 -0.019 0.000 1.097 310 M CB -0.639 31.945 32.600 -0.027 0.000 1.382 310 M HN 0.228 nan 8.290 nan 0.000 0.413 311 I N 0.476 121.042 120.570 -0.007 0.000 2.399 311 I HA -0.316 3.854 4.170 -0.000 0.000 0.254 311 I C 2.090 178.227 176.117 0.032 0.000 1.146 311 I CA 1.290 62.601 61.300 0.018 0.000 1.412 311 I CB -0.418 37.590 38.000 0.013 0.000 1.076 311 I HN 0.302 nan 8.210 nan 0.000 0.432 312 I N 0.824 121.405 120.570 0.019 0.000 2.423 312 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 312 I C 2.727 178.890 176.117 0.076 0.000 1.151 312 I CA 1.062 62.381 61.300 0.032 0.000 1.421 312 I CB -0.512 37.517 38.000 0.050 0.000 1.079 312 I HN 0.201 nan 8.210 nan 0.000 0.431 313 A N 1.172 124.037 122.820 0.075 0.000 1.978 313 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 313 A C 2.267 179.905 177.584 0.090 0.000 1.170 313 A CA 1.440 53.526 52.037 0.082 0.000 0.636 313 A CB -0.654 18.383 19.000 0.063 0.000 0.810 313 A HN 0.404 nan 8.150 nan 0.000 0.448 314 I N 0.340 120.970 120.570 0.100 0.000 2.090 314 I HA -0.153 4.017 4.170 -0.000 0.000 0.236 314 I C -0.292 175.930 176.117 0.175 0.000 1.064 314 I CA 1.530 62.922 61.300 0.152 0.000 1.324 314 I CB -1.241 36.871 38.000 0.186 0.000 1.044 314 I HN 0.230 nan 8.210 nan 0.000 0.399 315 P HA -0.122 nan 4.420 nan 0.000 0.217 315 P C 1.558 178.847 177.300 -0.019 0.000 1.150 315 P CA 1.669 64.767 63.100 -0.003 0.000 0.832 315 P CB -0.262 31.219 31.700 -0.364 0.000 0.787 316 T N -0.347 114.213 114.554 0.010 0.000 2.777 316 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 316 T C 2.159 176.794 174.700 -0.107 0.000 1.040 316 T CA 1.742 63.841 62.100 -0.001 0.000 1.141 316 T CB -1.136 67.851 68.868 0.199 0.000 0.868 316 T HN 0.191 nan 8.240 nan 0.000 0.444 317 G N 1.118 109.882 108.800 -0.061 0.000 2.422 317 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 317 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 317 G C 1.694 176.461 174.900 -0.222 0.000 1.146 317 G CA 0.692 45.662 45.100 -0.218 0.000 0.769 317 G HN 0.416 nan 8.290 nan 0.000 0.547 318 V N 0.908 120.830 119.914 0.014 0.000 2.324 318 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 318 V C 2.845 178.841 176.094 -0.163 0.000 1.060 318 V CA 2.440 64.779 62.300 0.065 0.000 1.042 318 V CB -0.403 31.547 31.823 0.211 0.000 0.650 318 V HN 0.425 nan 8.190 nan 0.000 0.450 319 K N -0.567 119.591 120.400 -0.402 0.000 2.057 319 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 319 K C 2.089 178.032 176.600 -1.096 0.000 1.050 319 K CA 1.330 57.090 56.287 -0.879 0.000 0.935 319 K CB -0.459 31.323 32.500 -1.196 0.000 0.715 319 K HN 0.334 nan 8.250 nan 0.000 0.439 320 V N 1.189 120.673 119.914 -0.716 0.000 2.295 320 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 320 V C 2.005 177.971 176.094 -0.215 0.000 1.049 320 V CA 1.796 63.907 62.300 -0.315 0.000 1.024 320 V CB -0.545 31.087 31.823 -0.319 0.000 0.648 320 V HN 0.216 nan 8.190 nan 0.000 0.447 321 F N -0.038 119.881 119.950 -0.051 0.000 2.293 321 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 321 F C 2.531 178.265 175.800 -0.111 0.000 1.086 321 F CA 1.174 59.145 58.000 -0.049 0.000 1.375 321 F CB -0.262 38.705 39.000 -0.055 0.000 1.045 321 F HN 0.076 nan 8.300 nan 0.000 0.516 322 S N -1.296 114.394 115.700 -0.017 0.000 2.446 322 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 322 S C 1.622 176.267 174.600 0.075 0.000 1.016 322 S CA 0.257 58.473 58.200 0.027 0.000 0.943 322 S CB -0.201 63.029 63.200 0.051 0.000 0.786 322 S HN 0.380 nan 8.310 nan 0.000 0.508 323 W N 2.137 123.490 121.300 0.088 0.000 2.381 323 W HA 0.126 4.786 4.660 -0.000 0.000 0.301 323 W C 1.856 178.420 176.519 0.075 0.000 1.205 323 W CA 0.150 57.548 57.345 0.087 0.000 1.285 323 W CB -1.222 28.288 29.460 0.083 0.000 1.133 323 W HN 0.286 nan 8.180 nan 0.000 0.521 324 L N 0.226 121.632 121.223 0.305 0.000 2.012 324 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 324 L C 2.566 179.488 176.870 0.087 0.000 1.073 324 L CA 1.710 56.664 54.840 0.190 0.000 0.748 324 L CB -1.422 40.757 42.059 0.199 0.000 0.891 324 L HN -0.125 nan 8.230 nan 0.000 0.431 325 A N -0.717 122.070 122.820 -0.054 0.000 2.067 325 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 325 A C 2.297 179.886 177.584 0.009 0.000 1.158 325 A CA 1.927 53.813 52.037 -0.251 0.000 0.661 325 A CB -0.662 17.705 19.000 -1.055 0.000 0.801 325 A HN 0.402 nan 8.150 nan 0.000 0.452 326 T N 0.296 114.947 114.554 0.162 0.000 2.904 326 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 326 T C 1.737 176.534 174.700 0.160 0.000 1.059 326 T CA 1.156 63.394 62.100 0.230 0.000 1.137 326 T CB -0.280 68.757 68.868 0.281 0.000 0.879 326 T HN 0.386 nan 8.240 nan 0.000 0.467 327 L N 0.193 121.503 121.223 0.145 0.000 2.093 327 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 327 L C 1.351 178.284 176.870 0.104 0.000 1.085 327 L CA 0.562 55.455 54.840 0.089 0.000 0.755 327 L CB -0.682 41.426 42.059 0.081 0.000 0.904 327 L HN 0.330 nan 8.230 nan 0.000 0.435 328 H N 0.683 119.764 119.070 0.018 0.000 3.187 328 H HA 0.174 4.730 4.556 -0.000 0.000 0.286 328 H C 1.084 176.423 175.328 0.018 0.000 0.944 328 H CA 0.408 56.461 56.048 0.007 0.000 1.429 328 H CB 0.076 29.824 29.762 -0.022 0.000 1.483 328 H HN 0.320 nan 8.280 nan 0.000 0.555 329 G N 2.909 111.505 108.800 -0.339 0.000 2.179 329 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 329 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 329 G C 0.687 175.510 174.900 -0.129 0.000 0.977 329 G CA 0.222 45.135 45.100 -0.312 0.000 0.641 329 G HN 1.038 nan 8.290 nan 0.000 0.533 330 G N -0.441 108.315 108.800 -0.074 0.000 2.572 330 G HA2 0.426 4.386 3.960 -0.000 0.000 0.261 330 G HA3 0.426 4.386 3.960 -0.000 0.000 0.261 330 G C 0.095 174.960 174.900 -0.057 0.000 1.197 330 G CA 0.137 45.204 45.100 -0.056 0.000 0.870 330 G HN 0.485 nan 8.290 nan 0.000 0.548 331 N N 0.953 119.617 118.700 -0.061 0.000 2.663 331 N HA 0.040 4.780 4.740 -0.000 0.000 0.250 331 N C 0.194 175.666 175.510 -0.063 0.000 1.129 331 N CA -0.576 52.444 53.050 -0.050 0.000 0.995 331 N CB -0.141 38.315 38.487 -0.053 0.000 1.324 331 N HN 0.111 nan 8.380 nan 0.000 0.512 332 I N 1.944 122.470 120.570 -0.072 0.000 2.517 332 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 332 I C 0.855 176.867 176.117 -0.175 0.000 1.106 332 I CA -0.002 61.188 61.300 -0.184 0.000 1.402 332 I CB -0.191 37.620 38.000 -0.315 0.000 1.399 332 I HN 0.396 nan 8.210 nan 0.000 0.535 333 K N 6.367 126.691 120.400 -0.127 0.000 2.211 333 K HA 0.202 4.522 4.320 -0.000 0.000 0.275 333 K C -0.830 175.671 176.600 -0.165 0.000 1.024 333 K CA -0.346 55.932 56.287 -0.014 0.000 0.887 333 K CB 0.554 33.158 32.500 0.172 0.000 1.084 333 K HN 0.408 nan 8.250 nan 0.000 0.463 334 W N 4.721 125.992 121.300 -0.048 0.000 1.809 334 W HA 0.140 4.800 4.660 -0.000 0.000 0.399 334 W C 0.070 176.476 176.519 -0.188 0.000 0.636 334 W CA -0.547 56.721 57.345 -0.130 0.000 2.178 334 W CB -0.035 29.359 29.460 -0.110 0.000 1.632 334 W HN 0.514 nan 8.180 nan 0.000 0.470 335 S N -0.060 115.524 115.700 -0.193 0.000 2.617 335 S HA 0.298 4.768 4.470 -0.000 0.000 0.269 335 S C -1.374 173.038 174.600 -0.314 0.000 1.292 335 S CA -1.180 56.858 58.200 -0.271 0.000 1.010 335 S CB 1.456 64.277 63.200 -0.633 0.000 0.944 335 S HN 0.002 nan 8.310 nan 0.000 0.536 336 P HA -0.084 nan 4.420 nan 0.000 0.216 336 P C 1.478 178.694 177.300 -0.140 0.000 1.150 336 P CA 1.846 64.846 63.100 -0.166 0.000 0.837 336 P CB -0.340 31.388 31.700 0.046 0.000 0.786 337 A N -0.712 122.004 122.820 -0.174 0.000 1.933 337 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 337 A C 2.257 179.678 177.584 -0.272 0.000 1.175 337 A CA 2.134 54.110 52.037 -0.102 0.000 0.628 337 A CB -1.374 17.505 19.000 -0.201 0.000 0.814 337 A HN 0.124 nan 8.150 nan 0.000 0.444 338 M N -0.555 118.689 119.600 -0.592 0.000 2.175 338 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 338 M C 2.009 178.106 176.300 -0.339 0.000 1.063 338 M CA 1.695 56.726 55.300 -0.448 0.000 1.119 338 M CB -0.584 31.697 32.600 -0.533 0.000 1.377 338 M HN 0.420 nan 8.290 nan 0.000 0.415 339 M N -2.062 117.255 119.600 -0.473 0.000 2.175 339 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 339 M C 1.900 177.808 176.300 -0.654 0.000 1.063 339 M CA 1.775 56.640 55.300 -0.726 0.000 1.119 339 M CB -0.622 31.163 32.600 -1.359 0.000 1.377 339 M HN 0.380 nan 8.290 nan 0.000 0.415 340 W N 0.245 121.311 121.300 -0.390 0.000 2.363 340 W HA -0.139 4.521 4.660 -0.000 0.000 0.296 340 W C 2.678 179.324 176.519 0.212 0.000 1.212 340 W CA 1.068 58.424 57.345 0.018 0.000 1.260 340 W CB -0.330 29.131 29.460 0.001 0.000 1.131 340 W HN 0.225 nan 8.180 nan 0.000 0.530 341 A N -0.080 122.891 122.820 0.252 0.000 1.930 341 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 341 A C 1.902 179.614 177.584 0.213 0.000 1.175 341 A CA 1.285 53.410 52.037 0.146 0.000 0.627 341 A CB -0.869 18.092 19.000 -0.065 0.000 0.815 341 A HN 0.290 nan 8.150 nan 0.000 0.443 342 L N -0.896 120.417 121.223 0.151 0.000 2.072 342 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 342 L C 2.845 179.951 176.870 0.393 0.000 1.079 342 L CA 0.899 55.856 54.840 0.194 0.000 0.752 342 L CB -0.870 41.238 42.059 0.082 0.000 0.906 342 L HN 0.457 nan 8.230 nan 0.000 0.436 343 G N 0.064 109.183 108.800 0.531 0.000 2.440 343 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 343 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 343 G C 1.504 176.811 174.900 0.677 0.000 1.154 343 G CA 0.772 46.370 45.100 0.830 0.000 0.767 343 G HN 0.277 nan 8.290 nan 0.000 0.552 344 F N 1.475 121.758 119.950 0.556 0.000 2.065 344 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 344 F C 2.507 178.468 175.800 0.268 0.000 1.112 344 F CA 1.680 59.877 58.000 0.329 0.000 1.212 344 F CB -0.313 38.836 39.000 0.249 0.000 0.975 344 F HN 0.135 nan 8.300 nan 0.000 0.476 345 I N -0.896 119.970 120.570 0.493 0.000 2.127 345 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 345 I C 2.346 178.688 176.117 0.375 0.000 1.075 345 I CA 1.786 63.347 61.300 0.436 0.000 1.334 345 I CB -0.689 37.542 38.000 0.385 0.000 1.040 345 I HN 0.229 nan 8.210 nan 0.000 0.405 346 F N 1.382 121.474 119.950 0.236 0.000 2.075 346 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 346 F C 2.181 178.064 175.800 0.139 0.000 1.113 346 F CA 1.701 59.818 58.000 0.195 0.000 1.218 346 F CB -0.376 38.757 39.000 0.221 0.000 0.984 346 F HN -0.130 nan 8.300 nan 0.000 0.472 347 L N -1.173 119.984 121.223 -0.111 0.000 2.156 347 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 347 L C 2.391 179.124 176.870 -0.229 0.000 1.095 347 L CA 1.078 55.752 54.840 -0.277 0.000 0.770 347 L CB -0.812 41.074 42.059 -0.289 0.000 0.914 347 L HN 0.228 nan 8.230 nan 0.000 0.439 348 F N 0.699 120.420 119.950 -0.381 0.000 2.186 348 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 348 F C 2.399 178.105 175.800 -0.157 0.000 1.090 348 F CA 1.743 59.525 58.000 -0.364 0.000 1.307 348 F CB -0.232 38.384 39.000 -0.639 0.000 1.019 348 F HN -0.094 nan 8.300 nan 0.000 0.489 349 T N 0.253 114.747 114.554 -0.100 0.000 2.708 349 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 349 T C 2.160 176.695 174.700 -0.275 0.000 1.037 349 T CA 1.670 63.694 62.100 -0.127 0.000 1.146 349 T CB -0.640 68.252 68.868 0.040 0.000 0.865 349 T HN 0.126 nan 8.240 nan 0.000 0.435 350 V N 1.326 121.021 119.914 -0.366 0.000 2.282 350 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 350 V C 2.805 178.687 176.094 -0.353 0.000 1.057 350 V CA 2.196 64.259 62.300 -0.395 0.000 1.032 350 V CB -1.244 30.261 31.823 -0.531 0.000 0.645 350 V HN 0.624 nan 8.190 nan 0.000 0.447 351 G N -0.830 107.775 108.800 -0.325 0.000 2.464 351 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 351 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 351 G C 1.543 176.322 174.900 -0.201 0.000 1.138 351 G CA 0.765 45.727 45.100 -0.230 0.000 0.793 351 G HN 0.601 nan 8.290 nan 0.000 0.539 352 G N 0.821 109.354 108.800 -0.444 0.000 2.403 352 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 352 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 352 G C 1.741 176.546 174.900 -0.159 0.000 1.154 352 G CA 0.392 45.289 45.100 -0.338 0.000 0.784 352 G HN 0.402 nan 8.290 nan 0.000 0.538 353 L N 1.226 122.350 121.223 -0.164 0.000 2.093 353 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 353 L C 3.303 180.117 176.870 -0.094 0.000 1.085 353 L CA 1.651 56.428 54.840 -0.106 0.000 0.755 353 L CB -0.698 41.301 42.059 -0.100 0.000 0.904 353 L HN 0.388 nan 8.230 nan 0.000 0.435 354 T N -3.390 111.100 114.554 -0.107 0.000 2.962 354 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 354 T C 1.892 176.517 174.700 -0.126 0.000 1.088 354 T CA 0.871 62.947 62.100 -0.040 0.000 1.127 354 T CB -0.691 68.091 68.868 -0.143 0.000 0.883 354 T HN 0.392 nan 8.240 nan 0.000 0.493 355 G N 1.994 110.622 108.800 -0.286 0.000 2.421 355 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.216 355 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.216 355 G C 1.492 176.211 174.900 -0.302 0.000 1.171 355 G CA 0.645 45.367 45.100 -0.629 0.000 0.775 355 G HN 0.458 nan 8.290 nan 0.000 0.543 356 I N 0.950 121.425 120.570 -0.159 0.000 2.208 356 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 356 I C 2.954 179.017 176.117 -0.090 0.000 1.097 356 I CA 0.785 62.024 61.300 -0.101 0.000 1.363 356 I CB -0.980 36.987 38.000 -0.056 0.000 1.051 356 I HN 0.031 nan 8.210 nan 0.000 0.413 357 V N 1.272 121.146 119.914 -0.066 0.000 2.255 357 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 357 V C 2.582 178.624 176.094 -0.087 0.000 1.051 357 V CA 1.664 63.931 62.300 -0.056 0.000 1.018 357 V CB -0.606 31.225 31.823 0.013 0.000 0.641 357 V HN 0.343 nan 8.190 nan 0.000 0.445 358 L N 0.185 121.355 121.223 -0.087 0.000 2.191 358 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 358 L C 2.593 179.424 176.870 -0.064 0.000 1.103 358 L CA 1.237 56.021 54.840 -0.092 0.000 0.769 358 L CB -0.766 41.206 42.059 -0.145 0.000 0.908 358 L HN 0.363 nan 8.230 nan 0.000 0.438 359 A N -0.584 122.175 122.820 -0.102 0.000 2.125 359 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 359 A C 0.983 178.572 177.584 0.008 0.000 1.156 359 A CA 0.752 52.779 52.037 -0.016 0.000 0.671 359 A CB -0.524 18.433 19.000 -0.071 0.000 0.794 359 A HN 0.401 nan 8.150 nan 0.000 0.459 360 N N 1.249 119.894 118.700 -0.092 0.000 2.421 360 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 360 N C 1.104 176.436 175.510 -0.297 0.000 1.173 360 N CA 0.690 53.634 53.050 -0.177 0.000 0.960 360 N CB 1.049 39.455 38.487 -0.136 0.000 1.273 360 N HN 0.520 nan 8.380 nan 0.000 0.497 361 S N 0.800 116.131 115.700 -0.615 0.000 2.419 361 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 361 S C 1.889 176.223 174.600 -0.444 0.000 1.016 361 S CA 0.733 58.344 58.200 -0.982 0.000 0.974 361 S CB 0.025 62.226 63.200 -1.664 0.000 0.786 361 S HN 0.362 nan 8.310 nan 0.000 0.492 362 S N 1.908 117.426 115.700 -0.303 0.000 2.356 362 S HA 0.114 4.584 4.470 -0.000 0.000 0.223 362 S C 1.773 176.287 174.600 -0.144 0.000 1.032 362 S CA 1.267 59.357 58.200 -0.183 0.000 1.005 362 S CB -0.514 62.602 63.200 -0.141 0.000 0.867 362 S HN 0.445 nan 8.310 nan 0.000 0.449 363 L N 0.927 122.061 121.223 -0.147 0.000 2.156 363 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 363 L C 2.207 179.010 176.870 -0.110 0.000 1.095 363 L CA 1.147 55.911 54.840 -0.127 0.000 0.770 363 L CB -0.460 41.509 42.059 -0.149 0.000 0.914 363 L HN 0.280 nan 8.230 nan 0.000 0.439 364 D N 0.159 120.500 120.400 -0.097 0.000 2.228 364 D HA -0.226 4.414 4.640 -0.000 0.000 0.203 364 D C 2.088 178.416 176.300 0.045 0.000 0.988 364 D CA 0.909 54.909 54.000 -0.001 0.000 0.864 364 D CB 0.196 41.066 40.800 0.116 0.000 0.928 364 D HN 0.086 nan 8.370 nan 0.000 0.469 365 I N 0.247 120.813 120.570 -0.007 0.000 2.151 365 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 365 I C 2.355 178.499 176.117 0.045 0.000 1.080 365 I CA 0.880 62.194 61.300 0.023 0.000 1.339 365 I CB -1.276 36.717 38.000 -0.011 0.000 1.039 365 I HN 0.068 nan 8.210 nan 0.000 0.409 366 V N 0.261 120.176 119.914 0.003 0.000 2.871 366 V HA -0.089 4.030 4.120 -0.000 0.000 0.256 366 V C 2.267 178.362 176.094 0.003 0.000 1.082 366 V CA 0.877 63.179 62.300 0.003 0.000 1.105 366 V CB -0.225 31.581 31.823 -0.029 0.000 0.713 366 V HN 0.331 nan 8.190 nan 0.000 0.473 367 L N -1.278 119.941 121.223 -0.007 0.000 2.513 367 L HA 0.202 4.542 4.340 -0.000 0.000 0.222 367 L C 1.184 178.093 176.870 0.065 0.000 1.096 367 L CA -0.018 54.807 54.840 -0.024 0.000 0.857 367 L CB -0.202 41.761 42.059 -0.160 0.000 1.026 367 L HN 0.395 nan 8.230 nan 0.000 0.469 368 H N 0.604 119.684 119.070 0.017 0.000 2.707 368 H HA -0.031 4.525 4.556 -0.000 0.000 0.359 368 H C 0.354 175.706 175.328 0.040 0.000 1.113 368 H CA 0.359 56.431 56.048 0.040 0.000 1.422 368 H CB 0.393 30.187 29.762 0.053 0.000 1.443 368 H HN 0.072 nan 8.280 nan 0.000 0.591 369 D N 2.066 122.041 120.400 -0.708 0.000 2.945 369 D HA -0.191 4.449 4.640 -0.000 0.000 0.225 369 D C -0.572 175.604 176.300 -0.208 0.000 1.158 369 D CA 1.489 55.202 54.000 -0.478 0.000 0.805 369 D CB -0.943 39.606 40.800 -0.419 0.000 1.098 369 D HN 0.769 nan 8.370 nan 0.000 0.426 370 T N -4.377 110.097 114.554 -0.133 0.000 2.916 370 T HA 0.424 4.774 4.350 -0.000 0.000 0.292 370 T C 1.026 175.691 174.700 -0.058 0.000 1.064 370 T CA -0.784 61.283 62.100 -0.055 0.000 1.011 370 T CB 0.894 69.773 68.868 0.019 0.000 1.152 370 T HN -0.057 nan 8.240 nan 0.000 0.510 371 Y N -0.293 119.944 120.300 -0.105 0.000 2.639 371 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 371 Y C 1.927 177.751 175.900 -0.126 0.000 1.155 371 Y CA 1.204 59.230 58.100 -0.123 0.000 1.379 371 Y CB -0.546 37.821 38.460 -0.156 0.000 0.967 371 Y HN 0.821 nan 8.280 nan 0.000 0.569 372 Y N -1.046 119.216 120.300 -0.064 0.000 2.314 372 Y HA -0.189 4.361 4.550 -0.000 0.000 0.293 372 Y C 2.101 177.929 175.900 -0.119 0.000 1.129 372 Y CA 1.191 59.234 58.100 -0.096 0.000 1.201 372 Y CB -0.201 38.232 38.460 -0.046 0.000 0.999 372 Y HN -0.093 nan 8.280 nan 0.000 0.541 373 V N -1.194 118.751 119.914 0.052 0.000 2.453 373 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 373 V C 2.184 178.134 176.094 -0.241 0.000 1.048 373 V CA 1.578 63.919 62.300 0.069 0.000 1.049 373 V CB -0.618 31.289 31.823 0.141 0.000 0.672 373 V HN 0.289 nan 8.190 nan 0.000 0.457 374 V N 0.474 120.078 119.914 -0.517 0.000 2.515 374 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 374 V C 2.616 178.245 176.094 -0.775 0.000 1.058 374 V CA 1.835 63.519 62.300 -1.028 0.000 1.064 374 V CB -1.057 30.304 31.823 -0.770 0.000 0.675 374 V HN 0.544 nan 8.190 nan 0.000 0.461 375 A N -0.050 122.453 122.820 -0.528 0.000 1.898 375 A HA -0.202 4.118 4.320 -0.000 0.000 0.214 375 A C 2.105 179.424 177.584 -0.442 0.000 1.183 375 A CA 1.740 53.458 52.037 -0.531 0.000 0.622 375 A CB -0.794 17.582 19.000 -1.039 0.000 0.824 375 A HN 0.720 nan 8.150 nan 0.000 0.444 376 H N 0.575 119.334 119.070 -0.520 0.000 2.265 376 H HA -0.279 4.277 4.556 -0.000 0.000 0.293 376 H C 1.663 176.872 175.328 -0.198 0.000 1.089 376 H CA 2.813 58.673 56.048 -0.312 0.000 1.244 376 H CB -0.837 28.811 29.762 -0.189 0.000 1.355 376 H HN 0.605 nan 8.280 nan 0.000 0.485 377 F N -1.461 118.141 119.950 -0.579 0.000 2.367 377 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 377 F C 2.027 177.422 175.800 -0.675 0.000 1.094 377 F CA 0.765 58.307 58.000 -0.764 0.000 1.409 377 F CB -0.698 37.962 39.000 -0.566 0.000 1.064 377 F HN 0.181 nan 8.300 nan 0.000 0.528 378 H N -1.158 117.497 119.070 -0.691 0.000 2.423 378 H HA -0.072 4.484 4.556 -0.000 0.000 0.297 378 H C 1.558 176.437 175.328 -0.749 0.000 1.075 378 H CA 2.132 57.644 56.048 -0.894 0.000 1.342 378 H CB -0.493 28.076 29.762 -1.989 0.000 1.395 378 H HN 0.266 nan 8.280 nan 0.000 0.530 379 Y N 0.251 120.244 120.300 -0.512 0.000 2.145 379 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 379 Y C 2.577 178.255 175.900 -0.371 0.000 1.145 379 Y CA 1.547 59.412 58.100 -0.392 0.000 1.148 379 Y CB -0.408 37.856 38.460 -0.327 0.000 0.981 379 Y HN 0.153 nan 8.280 nan 0.000 0.507 380 V N -2.811 116.953 119.914 -0.250 0.000 2.719 380 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 380 V C 1.757 177.776 176.094 -0.125 0.000 1.065 380 V CA 1.294 63.491 62.300 -0.172 0.000 1.086 380 V CB -0.662 31.038 31.823 -0.204 0.000 0.700 380 V HN 0.345 nan 8.190 nan 0.000 0.467 381 L N -0.068 121.025 121.223 -0.217 0.000 2.262 381 L HA 0.168 4.508 4.340 -0.000 0.000 0.197 381 L C 2.605 179.405 176.870 -0.116 0.000 1.073 381 L CA 1.303 56.035 54.840 -0.181 0.000 0.800 381 L CB -0.289 41.606 42.059 -0.274 0.000 0.987 381 L HN 0.302 nan 8.230 nan 0.000 0.470 382 S N -0.980 114.621 115.700 -0.165 0.000 2.562 382 S HA 0.100 4.570 4.470 -0.000 0.000 0.221 382 S C 1.611 176.195 174.600 -0.026 0.000 0.975 382 S CA 0.520 58.707 58.200 -0.022 0.000 0.918 382 S CB 0.144 63.370 63.200 0.043 0.000 0.772 382 S HN 0.225 nan 8.310 nan 0.000 0.531 383 M N -0.789 118.658 119.600 -0.255 0.000 2.971 383 M HA 0.290 4.770 4.480 -0.000 0.000 0.238 383 M C 2.301 178.360 176.300 -0.402 0.000 1.582 383 M CA 0.744 55.658 55.300 -0.642 0.000 1.223 383 M CB -0.760 31.324 32.600 -0.860 0.000 1.238 383 M HN 0.304 nan 8.290 nan 0.000 0.568 384 G N 0.736 109.406 108.800 -0.218 0.000 2.616 384 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 384 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 384 G C 1.572 176.694 174.900 0.370 0.000 1.284 384 G CA 1.152 46.211 45.100 -0.069 0.000 0.823 384 G HN 0.457 nan 8.290 nan 0.000 0.569 385 A N -0.403 122.547 122.820 0.216 0.000 1.927 385 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 385 A C 2.612 180.321 177.584 0.209 0.000 1.185 385 A CA 2.286 54.430 52.037 0.178 0.000 0.639 385 A CB -0.825 18.183 19.000 0.013 0.000 0.820 385 A HN 0.337 nan 8.150 nan 0.000 0.451 386 V N -1.613 118.437 119.914 0.226 0.000 2.453 386 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 386 V C 2.260 178.551 176.094 0.329 0.000 1.048 386 V CA 1.771 64.218 62.300 0.244 0.000 1.049 386 V CB -0.765 31.212 31.823 0.255 0.000 0.672 386 V HN 0.642 nan 8.190 nan 0.000 0.457 387 F N 0.099 120.185 119.950 0.226 0.000 2.206 387 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 387 F C 2.443 178.359 175.800 0.194 0.000 1.090 387 F CA 0.742 58.948 58.000 0.342 0.000 1.323 387 F CB -0.277 39.122 39.000 0.665 0.000 1.028 387 F HN 0.149 nan 8.300 nan 0.000 0.492 388 A N 0.593 123.645 122.820 0.387 0.000 1.902 388 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 388 A C 2.110 179.673 177.584 -0.035 0.000 1.181 388 A CA 1.373 53.430 52.037 0.033 0.000 0.623 388 A CB -0.957 17.988 19.000 -0.092 0.000 0.818 388 A HN 0.377 nan 8.150 nan 0.000 0.443 389 I N -0.765 119.823 120.570 0.029 0.000 2.179 389 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 389 I C 2.551 178.681 176.117 0.022 0.000 1.088 389 I CA 1.294 62.635 61.300 0.069 0.000 1.357 389 I CB -0.235 37.849 38.000 0.139 0.000 1.051 389 I HN 0.257 nan 8.210 nan 0.000 0.409 390 M N 0.171 119.625 119.600 -0.244 0.000 2.213 390 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 390 M C 2.325 178.301 176.300 -0.541 0.000 1.062 390 M CA 1.670 56.608 55.300 -0.604 0.000 1.105 390 M CB -1.938 29.645 32.600 -1.696 0.000 1.385 390 M HN 0.306 nan 8.290 nan 0.000 0.417 391 G N -0.362 108.214 108.800 -0.372 0.000 2.404 391 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.215 391 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.215 391 G C 1.599 176.481 174.900 -0.029 0.000 1.174 391 G CA 0.913 45.967 45.100 -0.076 0.000 0.780 391 G HN 0.538 nan 8.290 nan 0.000 0.537 392 G N 0.220 108.989 108.800 -0.052 0.000 2.408 392 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 392 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 392 G C 1.600 176.754 174.900 0.424 0.000 1.150 392 G CA 0.834 45.941 45.100 0.011 0.000 0.776 392 G HN 0.330 nan 8.290 nan 0.000 0.542 393 F N 1.975 122.167 119.950 0.402 0.000 2.069 393 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 393 F C 2.821 178.772 175.800 0.252 0.000 1.113 393 F CA 2.144 60.430 58.000 0.477 0.000 1.214 393 F CB -0.452 38.733 39.000 0.308 0.000 0.978 393 F HN 0.070 nan 8.300 nan 0.000 0.474 394 V N -1.513 118.494 119.914 0.155 0.000 2.407 394 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 394 V C 2.394 178.498 176.094 0.017 0.000 1.055 394 V CA 2.367 64.690 62.300 0.039 0.000 1.049 394 V CB -1.507 30.427 31.823 0.185 0.000 0.662 394 V HN 0.532 nan 8.190 nan 0.000 0.455 395 H N -0.811 118.187 119.070 -0.120 0.000 2.321 395 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 395 H C 1.781 176.938 175.328 -0.285 0.000 1.087 395 H CA 2.436 58.315 56.048 -0.281 0.000 1.319 395 H CB -0.168 29.235 29.762 -0.599 0.000 1.379 395 H HN 0.562 nan 8.280 nan 0.000 0.501 396 W N -0.594 120.498 121.300 -0.347 0.000 3.220 396 W HA 0.076 4.736 4.660 -0.000 0.000 0.328 396 W C 1.443 177.287 176.519 -1.125 0.000 1.205 396 W CA -0.434 56.375 57.345 -0.894 0.000 1.773 396 W CB -0.725 28.049 29.460 -1.144 0.000 1.086 396 W HN 0.197 nan 8.180 nan 0.000 0.622 397 F N 3.030 122.564 119.950 -0.694 0.000 2.120 397 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 397 F C -0.726 174.801 175.800 -0.455 0.000 1.095 397 F CA 1.944 59.531 58.000 -0.689 0.000 1.249 397 F CB -1.283 37.270 39.000 -0.745 0.000 0.995 397 F HN -0.252 nan 8.300 nan 0.000 0.480 398 P HA -0.124 nan 4.420 nan 0.000 0.223 398 P C 1.667 178.807 177.300 -0.267 0.000 1.151 398 P CA 0.932 63.921 63.100 -0.185 0.000 0.787 398 P CB -0.081 31.671 31.700 0.087 0.000 0.788 399 L N -1.603 119.310 121.223 -0.516 0.000 2.072 399 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 399 L C 1.879 178.441 176.870 -0.512 0.000 1.079 399 L CA 1.990 56.439 54.840 -0.652 0.000 0.752 399 L CB -1.242 40.069 42.059 -1.247 0.000 0.906 399 L HN -0.182 nan 8.230 nan 0.000 0.436 400 F N -0.381 119.070 119.950 -0.832 0.000 2.234 400 F HA 0.010 4.537 4.527 -0.000 0.000 0.296 400 F C 2.733 178.185 175.800 -0.579 0.000 1.089 400 F CA 0.923 58.272 58.000 -1.085 0.000 1.343 400 F CB -1.507 36.744 39.000 -1.248 0.000 1.040 400 F HN 0.367 nan 8.300 nan 0.000 0.498 401 S N -1.702 113.684 115.700 -0.523 0.000 2.497 401 S HA 0.435 4.905 4.470 -0.000 0.000 0.218 401 S C 1.801 176.084 174.600 -0.528 0.000 1.023 401 S CA 0.473 58.396 58.200 -0.462 0.000 0.913 401 S CB 0.390 63.088 63.200 -0.836 0.000 0.800 401 S HN 0.506 nan 8.310 nan 0.000 0.505 402 G N 0.068 108.588 108.800 -0.468 0.000 2.175 402 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 402 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 402 G C -0.252 174.407 174.900 -0.403 0.000 0.982 402 G CA 0.327 45.188 45.100 -0.398 0.000 0.641 402 G HN 0.520 nan 8.290 nan 0.000 0.527 403 Y N 0.582 120.765 120.300 -0.194 0.000 2.562 403 Y HA 0.718 5.268 4.550 -0.000 0.000 0.343 403 Y C 0.818 176.717 175.900 -0.001 0.000 1.025 403 Y CA -0.711 57.335 58.100 -0.090 0.000 1.082 403 Y CB 1.568 39.967 38.460 -0.101 0.000 1.264 403 Y HN 0.323 nan 8.280 nan 0.000 0.478 404 T N -0.291 114.406 114.554 0.238 0.000 2.929 404 T HA 0.756 5.106 4.350 -0.000 0.000 0.284 404 T C -0.326 174.462 174.700 0.146 0.000 1.014 404 T CA -0.839 61.373 62.100 0.187 0.000 1.051 404 T CB 0.740 69.674 68.868 0.110 0.000 1.028 404 T HN 0.483 nan 8.240 nan 0.000 0.485 405 L N 1.925 123.198 121.223 0.083 0.000 2.468 405 L HA 0.412 4.752 4.340 -0.000 0.000 0.254 405 L C 1.083 177.967 176.870 0.024 0.000 1.171 405 L CA -1.147 53.659 54.840 -0.057 0.000 0.809 405 L CB 0.349 42.332 42.059 -0.127 0.000 1.155 405 L HN 0.711 nan 8.230 nan 0.000 0.473 406 N N 0.523 119.260 118.700 0.062 0.000 2.408 406 N HA -0.003 4.737 4.740 -0.000 0.000 0.257 406 N C 0.019 175.626 175.510 0.162 0.000 1.064 406 N CA -0.082 53.056 53.050 0.146 0.000 0.952 406 N CB 1.257 39.926 38.487 0.305 0.000 1.093 406 N HN 0.498 nan 8.380 nan 0.000 0.490 407 D N 2.274 122.737 120.400 0.105 0.000 2.178 407 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 407 D C 1.189 177.547 176.300 0.096 0.000 0.974 407 D CA 1.418 55.473 54.000 0.093 0.000 0.841 407 D CB 0.171 41.004 40.800 0.056 0.000 0.953 407 D HN 0.577 nan 8.370 nan 0.000 0.478 408 T N -0.761 113.826 114.554 0.056 0.000 2.708 408 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 408 T C 1.734 176.475 174.700 0.068 0.000 1.037 408 T CA 0.919 63.013 62.100 -0.010 0.000 1.146 408 T CB -0.471 68.313 68.868 -0.139 0.000 0.865 408 T HN 0.335 nan 8.240 nan 0.000 0.435 409 W N 1.207 122.571 121.300 0.106 0.000 2.358 409 W HA 0.011 4.671 4.660 -0.000 0.000 0.303 409 W C 2.813 179.443 176.519 0.185 0.000 1.208 409 W CA 0.510 57.950 57.345 0.159 0.000 1.274 409 W CB -0.232 29.337 29.460 0.181 0.000 1.138 409 W HN 0.205 nan 8.180 nan 0.000 0.515 410 A N 0.234 123.298 122.820 0.406 0.000 1.969 410 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 410 A C 1.799 179.591 177.584 0.347 0.000 1.169 410 A CA 1.622 53.885 52.037 0.378 0.000 0.635 410 A CB -0.496 18.671 19.000 0.279 0.000 0.810 410 A HN 0.294 nan 8.150 nan 0.000 0.445 411 K N -0.402 120.126 120.400 0.213 0.000 2.103 411 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 411 K C 1.701 178.404 176.600 0.171 0.000 1.052 411 K CA 1.261 57.621 56.287 0.121 0.000 0.945 411 K CB -0.315 32.207 32.500 0.037 0.000 0.722 411 K HN 0.510 nan 8.250 nan 0.000 0.443 412 I N 0.799 121.491 120.570 0.203 0.000 2.208 412 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 412 I C 2.712 178.992 176.117 0.272 0.000 1.097 412 I CA 1.437 62.868 61.300 0.219 0.000 1.363 412 I CB -0.491 37.671 38.000 0.270 0.000 1.051 412 I HN 0.348 nan 8.210 nan 0.000 0.413 413 H N 0.840 120.079 119.070 0.282 0.000 2.321 413 H HA -0.254 4.302 4.556 -0.000 0.000 0.300 413 H C 2.315 177.761 175.328 0.197 0.000 1.087 413 H CA 2.083 58.298 56.048 0.277 0.000 1.319 413 H CB -0.167 29.812 29.762 0.363 0.000 1.379 413 H HN 0.315 nan 8.280 nan 0.000 0.501 414 F N 1.716 121.549 119.950 -0.196 0.000 2.043 414 F HA -0.279 4.248 4.527 -0.000 0.000 0.297 414 F C 2.725 178.280 175.800 -0.408 0.000 1.121 414 F CA 2.269 59.819 58.000 -0.749 0.000 1.199 414 F CB -0.932 37.469 39.000 -0.999 0.000 0.968 414 F HN 0.229 nan 8.300 nan 0.000 0.478 415 A N 0.745 123.401 122.820 -0.272 0.000 1.917 415 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 415 A C 2.317 179.797 177.584 -0.173 0.000 1.182 415 A CA 2.267 54.147 52.037 -0.260 0.000 0.633 415 A CB -1.362 17.611 19.000 -0.045 0.000 0.819 415 A HN 0.577 nan 8.150 nan 0.000 0.448 416 I N -1.753 118.764 120.570 -0.087 0.000 2.202 416 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 416 I C 2.634 178.721 176.117 -0.051 0.000 1.091 416 I CA 1.836 63.125 61.300 -0.019 0.000 1.368 416 I CB -0.287 37.748 38.000 0.058 0.000 1.058 416 I HN 0.371 nan 8.210 nan 0.000 0.410 417 M N 0.488 120.007 119.600 -0.135 0.000 2.108 417 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 417 M C 2.064 178.349 176.300 -0.024 0.000 1.066 417 M CA 1.904 57.166 55.300 -0.062 0.000 1.107 417 M CB -0.617 31.951 32.600 -0.054 0.000 1.356 417 M HN 0.202 nan 8.290 nan 0.000 0.406 418 F N -0.585 119.149 119.950 -0.360 0.000 2.102 418 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 418 F C 1.897 177.650 175.800 -0.078 0.000 1.105 418 F CA 1.761 59.627 58.000 -0.223 0.000 1.239 418 F CB -0.466 38.163 39.000 -0.618 0.000 0.991 418 F HN -0.046 nan 8.300 nan 0.000 0.474 419 V N 0.353 120.312 119.914 0.076 0.000 2.343 419 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 419 V C 2.694 178.766 176.094 -0.036 0.000 1.051 419 V CA 1.928 64.244 62.300 0.028 0.000 1.036 419 V CB -1.689 30.170 31.823 0.059 0.000 0.654 419 V HN 0.556 nan 8.190 nan 0.000 0.451 420 G N 0.600 109.387 108.800 -0.021 0.000 2.414 420 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 420 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 420 G C 1.758 176.612 174.900 -0.076 0.000 1.188 420 G CA 1.470 46.555 45.100 -0.025 0.000 0.783 420 G HN 0.558 nan 8.290 nan 0.000 0.537 421 V N -0.568 119.320 119.914 -0.043 0.000 2.407 421 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 421 V C 2.199 178.220 176.094 -0.122 0.000 1.055 421 V CA 2.175 64.458 62.300 -0.028 0.000 1.049 421 V CB -0.613 31.271 31.823 0.101 0.000 0.662 421 V HN 0.260 nan 8.190 nan 0.000 0.455 422 N N -0.013 118.566 118.700 -0.203 0.000 2.250 422 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 422 N C 1.840 177.325 175.510 -0.042 0.000 1.017 422 N CA 1.809 54.759 53.050 -0.167 0.000 0.866 422 N CB -0.131 38.189 38.487 -0.278 0.000 0.985 422 N HN 0.601 nan 8.380 nan 0.000 0.429 423 M N 0.947 120.507 119.600 -0.067 0.000 2.229 423 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 423 M C 1.488 177.724 176.300 -0.106 0.000 1.063 423 M CA 1.191 56.477 55.300 -0.024 0.000 1.114 423 M CB -0.084 32.511 32.600 -0.007 0.000 1.387 423 M HN -0.031 nan 8.290 nan 0.000 0.420 424 T N 0.183 114.565 114.554 -0.286 0.000 2.708 424 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 424 T C 1.133 175.460 174.700 -0.623 0.000 1.037 424 T CA 1.687 63.430 62.100 -0.595 0.000 1.146 424 T CB -0.309 67.876 68.868 -1.138 0.000 0.865 424 T HN 0.458 nan 8.240 nan 0.000 0.435 425 F N -0.968 118.920 119.950 -0.104 0.000 2.694 425 F HA 0.350 4.877 4.527 -0.000 0.000 0.292 425 F C 1.698 177.494 175.800 -0.008 0.000 1.121 425 F CA -0.668 57.261 58.000 -0.119 0.000 1.352 425 F CB -0.131 38.745 39.000 -0.206 0.000 1.107 425 F HN 0.002 nan 8.300 nan 0.000 0.597 426 F N 2.999 123.014 119.950 0.107 0.000 2.095 426 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 426 F C -0.849 174.776 175.800 -0.292 0.000 1.104 426 F CA 1.386 59.426 58.000 0.067 0.000 1.232 426 F CB -1.626 37.389 39.000 0.024 0.000 0.987 426 F HN -0.154 nan 8.300 nan 0.000 0.475 427 P HA -0.150 nan 4.420 nan 0.000 0.225 427 P C 1.105 178.083 177.300 -0.536 0.000 1.148 427 P CA 1.417 64.136 63.100 -0.636 0.000 0.779 427 P CB -0.236 31.426 31.700 -0.063 0.000 0.780 428 Q N -1.544 118.030 119.800 -0.377 0.000 2.291 428 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 428 Q C 1.644 177.417 176.000 -0.378 0.000 0.976 428 Q CA 1.133 56.783 55.803 -0.256 0.000 0.875 428 Q CB -0.661 28.052 28.738 -0.041 0.000 0.927 428 Q HN 0.530 nan 8.270 nan 0.000 0.450 429 H N -0.938 117.772 119.070 -0.601 0.000 2.389 429 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 429 H C 1.353 176.542 175.328 -0.231 0.000 1.081 429 H CA 1.402 57.121 56.048 -0.548 0.000 1.345 429 H CB 0.035 29.278 29.762 -0.866 0.000 1.393 429 H HN 0.198 nan 8.280 nan 0.000 0.520 430 F N 0.130 119.938 119.950 -0.236 0.000 2.163 430 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 430 F C 2.165 177.955 175.800 -0.017 0.000 1.094 430 F CA 0.681 58.547 58.000 -0.223 0.000 1.290 430 F CB -0.943 37.647 39.000 -0.684 0.000 1.017 430 F HN 0.081 nan 8.300 nan 0.000 0.483 431 L N -0.314 121.001 121.223 0.153 0.000 2.083 431 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 431 L C 2.739 179.651 176.870 0.069 0.000 1.083 431 L CA 1.422 56.324 54.840 0.103 0.000 0.752 431 L CB -1.344 40.620 42.059 -0.159 0.000 0.899 431 L HN 0.265 nan 8.230 nan 0.000 0.433 432 G N 0.094 108.965 108.800 0.118 0.000 2.433 432 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 432 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 432 G C 1.598 176.594 174.900 0.161 0.000 1.186 432 G CA 0.557 45.760 45.100 0.172 0.000 0.779 432 G HN 0.218 nan 8.290 nan 0.000 0.543 433 L N 1.542 122.882 121.223 0.195 0.000 2.046 433 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 433 L C 3.148 180.093 176.870 0.125 0.000 1.077 433 L CA 1.572 56.480 54.840 0.113 0.000 0.747 433 L CB -0.488 41.648 42.059 0.129 0.000 0.896 433 L HN 0.414 nan 8.230 nan 0.000 0.432 434 S N -0.590 115.230 115.700 0.200 0.000 2.603 434 S HA 0.093 4.563 4.470 -0.000 0.000 0.229 434 S C 1.449 176.237 174.600 0.314 0.000 0.972 434 S CA 0.472 58.829 58.200 0.262 0.000 0.935 434 S CB 0.128 63.540 63.200 0.353 0.000 0.769 434 S HN 0.606 nan 8.310 nan 0.000 0.536 435 G N 0.854 109.762 108.800 0.180 0.000 2.148 435 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.203 435 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.203 435 G C -0.138 174.722 174.900 -0.067 0.000 0.993 435 G CA -0.032 45.133 45.100 0.108 0.000 0.661 435 G HN 0.612 nan 8.290 nan 0.000 0.518 436 M N 1.685 121.084 119.600 -0.335 0.000 2.217 436 M HA 0.449 4.929 4.480 -0.000 0.000 0.352 436 M C -2.140 174.000 176.300 -0.266 0.000 1.376 436 M CA -1.391 53.543 55.300 -0.609 0.000 1.107 436 M CB 0.750 32.797 32.600 -0.922 0.000 1.723 436 M HN -0.007 nan 8.290 nan 0.000 0.461 437 P HA 0.213 nan 4.420 nan 0.000 0.274 437 P C -1.143 175.988 177.300 -0.281 0.000 1.237 437 P CA -0.224 62.582 63.100 -0.490 0.000 0.793 437 P CB 0.560 31.663 31.700 -0.994 0.000 0.977 438 R N 1.469 121.852 120.500 -0.196 0.000 2.582 438 R HA 0.304 4.644 4.340 -0.000 0.000 0.271 438 R C 0.469 176.819 176.300 0.083 0.000 1.078 438 R CA -0.268 55.755 56.100 -0.129 0.000 1.127 438 R CB 0.143 30.346 30.300 -0.163 0.000 1.038 438 R HN 0.450 nan 8.270 nan 0.000 0.500 439 R N 0.000 120.656 120.500 0.260 0.000 3.654 439 R HA -0.221 4.119 4.340 -0.000 0.000 0.302 439 R C -1.183 175.481 176.300 0.607 0.000 1.166 439 R CA 0.748 57.098 56.100 0.418 0.000 0.810 439 R CB -1.941 28.515 30.300 0.259 0.000 1.323 439 R HN 0.578 nan 8.270 nan 0.000 0.478 440 Y N -0.445 120.007 120.300 0.253 0.000 2.335 440 Y HA 0.148 4.698 4.550 -0.000 0.000 0.338 440 Y C 1.626 177.310 175.900 -0.359 0.000 0.977 440 Y CA -0.243 57.879 58.100 0.037 0.000 1.114 440 Y CB 1.659 40.171 38.460 0.087 0.000 1.182 440 Y HN 0.179 nan 8.280 nan 0.000 0.463 441 S N 0.398 115.788 115.700 -0.517 0.000 2.522 441 S HA -0.008 4.462 4.470 -0.000 0.000 0.227 441 S C -0.034 174.330 174.600 -0.394 0.000 0.986 441 S CA 0.615 58.294 58.200 -0.869 0.000 0.929 441 S CB 0.113 63.001 63.200 -0.521 0.000 0.769 441 S HN 0.705 nan 8.310 nan 0.000 0.529 442 D N -0.664 119.599 120.400 -0.229 0.000 2.622 442 D HA 0.531 5.171 4.640 -0.000 0.000 0.255 442 D C -1.689 174.586 176.300 -0.042 0.000 1.246 442 D CA -0.774 53.059 54.000 -0.278 0.000 0.795 442 D CB 1.627 42.255 40.800 -0.287 0.000 1.369 442 D HN 0.251 nan 8.370 nan 0.000 0.425 443 Y N -1.812 118.543 120.300 0.092 0.000 2.562 443 Y HA 0.734 5.284 4.550 -0.000 0.000 0.345 443 Y C -2.663 173.367 175.900 0.217 0.000 1.045 443 Y CA -2.430 55.796 58.100 0.209 0.000 1.028 443 Y CB -0.037 38.516 38.460 0.155 0.000 1.297 443 Y HN 0.057 nan 8.280 nan 0.000 0.463 444 P HA 0.036 nan 4.420 nan 0.000 0.267 444 P C 0.046 177.530 177.300 0.308 0.000 1.201 444 P CA 0.253 63.538 63.100 0.310 0.000 0.775 444 P CB 0.864 32.732 31.700 0.281 0.000 0.854 445 D N 1.252 121.724 120.400 0.119 0.000 2.178 445 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 445 D C 1.895 178.206 176.300 0.018 0.000 0.980 445 D CA 1.525 55.579 54.000 0.090 0.000 0.842 445 D CB -0.607 40.198 40.800 0.010 0.000 0.948 445 D HN 0.356 nan 8.370 nan 0.000 0.472 446 A N 0.248 122.989 122.820 -0.132 0.000 2.032 446 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 446 A C 1.421 178.822 177.584 -0.305 0.000 1.165 446 A CA 1.125 52.990 52.037 -0.287 0.000 0.645 446 A CB -0.997 17.718 19.000 -0.476 0.000 0.807 446 A HN 0.293 nan 8.150 nan 0.000 0.453 447 Y N 0.197 120.494 120.300 -0.006 0.000 2.502 447 Y HA 0.043 4.593 4.550 -0.000 0.000 0.295 447 Y C 2.400 178.119 175.900 -0.303 0.000 1.193 447 Y CA 0.740 58.749 58.100 -0.152 0.000 1.295 447 Y CB -0.964 37.352 38.460 -0.240 0.000 1.059 447 Y HN 0.225 nan 8.280 nan 0.000 0.514 448 T N -0.128 114.413 114.554 -0.022 0.000 2.812 448 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 448 T C 2.078 176.698 174.700 -0.134 0.000 1.042 448 T CA 1.341 63.455 62.100 0.024 0.000 1.140 448 T CB -0.178 68.746 68.868 0.093 0.000 0.870 448 T HN 0.420 nan 8.240 nan 0.000 0.445 449 M N -0.293 119.132 119.600 -0.292 0.000 2.065 449 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 449 M C 1.884 177.995 176.300 -0.316 0.000 1.071 449 M CA 1.930 56.973 55.300 -0.428 0.000 1.109 449 M CB -0.266 31.854 32.600 -0.801 0.000 1.313 449 M HN 0.404 nan 8.290 nan 0.000 0.408 450 W N 0.349 121.637 121.300 -0.019 0.000 2.374 450 W HA -0.143 4.517 4.660 -0.000 0.000 0.288 450 W C 2.136 178.586 176.519 -0.115 0.000 1.218 450 W CA 0.158 57.494 57.345 -0.016 0.000 1.245 450 W CB -0.594 28.890 29.460 0.039 0.000 1.126 450 W HN 0.343 nan 8.180 nan 0.000 0.545 451 N N -0.234 118.438 118.700 -0.047 0.000 2.354 451 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 451 N C 1.499 176.984 175.510 -0.041 0.000 1.021 451 N CA 1.682 54.637 53.050 -0.158 0.000 0.887 451 N CB -0.361 37.860 38.487 -0.443 0.000 0.974 451 N HN 0.101 nan 8.380 nan 0.000 0.437 452 T N 1.893 116.437 114.554 -0.018 0.000 2.701 452 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 452 T C 2.143 176.846 174.700 0.004 0.000 1.040 452 T CA 0.702 62.800 62.100 -0.004 0.000 1.147 452 T CB -0.151 68.702 68.868 -0.025 0.000 0.865 452 T HN 0.151 nan 8.240 nan 0.000 0.426 453 I N 1.176 121.772 120.570 0.044 0.000 2.208 453 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 453 I C 2.816 178.954 176.117 0.036 0.000 1.097 453 I CA 1.044 62.388 61.300 0.074 0.000 1.363 453 I CB -0.406 37.713 38.000 0.197 0.000 1.051 453 I HN 0.254 nan 8.210 nan 0.000 0.413 454 S N 0.078 115.788 115.700 0.016 0.000 2.368 454 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 454 S C 2.221 176.769 174.600 -0.086 0.000 1.030 454 S CA 2.054 60.205 58.200 -0.083 0.000 0.999 454 S CB -0.149 62.976 63.200 -0.124 0.000 0.844 454 S HN 0.404 nan 8.310 nan 0.000 0.459 455 S N 1.183 116.870 115.700 -0.020 0.000 2.383 455 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 455 S C 1.881 176.549 174.600 0.114 0.000 1.026 455 S CA 1.503 59.736 58.200 0.056 0.000 0.981 455 S CB -0.359 62.885 63.200 0.074 0.000 0.818 455 S HN 0.545 nan 8.310 nan 0.000 0.472 456 M N 0.911 120.519 119.600 0.014 0.000 2.117 456 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 456 M C 2.505 178.843 176.300 0.064 0.000 1.065 456 M CA 1.500 56.799 55.300 -0.000 0.000 1.114 456 M CB -0.935 31.642 32.600 -0.039 0.000 1.361 456 M HN 0.442 nan 8.290 nan 0.000 0.408 457 G N 0.364 109.168 108.800 0.007 0.000 2.442 457 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 457 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 457 G C 1.662 176.551 174.900 -0.019 0.000 1.141 457 G CA 1.353 46.436 45.100 -0.029 0.000 0.763 457 G HN 0.573 nan 8.290 nan 0.000 0.554 458 S N 0.319 116.009 115.700 -0.017 0.000 2.382 458 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 458 S C 2.107 176.721 174.600 0.023 0.000 1.027 458 S CA 1.113 59.288 58.200 -0.040 0.000 0.991 458 S CB -0.650 62.509 63.200 -0.068 0.000 0.823 458 S HN 0.278 nan 8.310 nan 0.000 0.469 459 F N 1.768 121.690 119.950 -0.047 0.000 2.171 459 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 459 F C 2.258 178.053 175.800 -0.007 0.000 1.090 459 F CA 1.106 59.094 58.000 -0.019 0.000 1.293 459 F CB -0.410 38.581 39.000 -0.014 0.000 1.013 459 F HN 0.183 nan 8.300 nan 0.000 0.486 460 I N -0.959 119.713 120.570 0.171 0.000 2.226 460 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 460 I C 2.363 178.521 176.117 0.068 0.000 1.100 460 I CA 1.291 62.650 61.300 0.098 0.000 1.374 460 I CB -0.619 37.419 38.000 0.064 0.000 1.057 460 I HN 0.001 nan 8.210 nan 0.000 0.413 461 S N 0.893 116.618 115.700 0.043 0.000 2.382 461 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 461 S C 1.913 176.540 174.600 0.044 0.000 1.027 461 S CA 1.156 59.386 58.200 0.050 0.000 0.991 461 S CB -0.440 62.785 63.200 0.041 0.000 0.823 461 S HN 0.322 nan 8.310 nan 0.000 0.469 462 L N 2.185 123.400 121.223 -0.013 0.000 1.990 462 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 462 L C 2.193 179.074 176.870 0.018 0.000 1.072 462 L CA 2.066 56.879 54.840 -0.045 0.000 0.755 462 L CB -1.602 40.347 42.059 -0.183 0.000 0.889 462 L HN 0.202 nan 8.230 nan 0.000 0.432 463 T N 0.020 114.602 114.554 0.047 0.000 2.737 463 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 463 T C 1.864 176.636 174.700 0.119 0.000 1.040 463 T CA 1.490 63.635 62.100 0.076 0.000 1.142 463 T CB -0.592 68.329 68.868 0.089 0.000 0.861 463 T HN 0.591 nan 8.240 nan 0.000 0.456 464 A N 0.748 123.659 122.820 0.150 0.000 1.897 464 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 464 A C 2.588 180.365 177.584 0.321 0.000 1.181 464 A CA 1.076 53.273 52.037 0.266 0.000 0.620 464 A CB -0.907 18.195 19.000 0.171 0.000 0.821 464 A HN 0.342 nan 8.150 nan 0.000 0.443 465 V N 0.433 120.465 119.914 0.197 0.000 2.255 465 V HA -0.373 3.747 4.120 -0.000 0.000 0.247 465 V C 2.702 178.842 176.094 0.078 0.000 1.051 465 V CA 2.491 64.873 62.300 0.136 0.000 1.018 465 V CB -0.813 31.051 31.823 0.068 0.000 0.641 465 V HN 0.596 nan 8.190 nan 0.000 0.445 466 M N -0.981 118.653 119.600 0.057 0.000 2.159 466 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 466 M C 2.252 178.585 176.300 0.055 0.000 1.063 466 M CA 1.723 57.042 55.300 0.032 0.000 1.110 466 M CB -0.591 32.015 32.600 0.010 0.000 1.374 466 M HN 0.331 nan 8.290 nan 0.000 0.411 467 L N 0.692 121.970 121.223 0.093 0.000 2.079 467 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 467 L C 2.500 179.401 176.870 0.052 0.000 1.081 467 L CA 1.661 56.565 54.840 0.107 0.000 0.752 467 L CB -0.476 41.701 42.059 0.197 0.000 0.896 467 L HN 0.309 nan 8.230 nan 0.000 0.433 468 M N -1.938 117.619 119.600 -0.071 0.000 2.117 468 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 468 M C 2.013 178.244 176.300 -0.116 0.000 1.065 468 M CA 1.868 56.989 55.300 -0.299 0.000 1.114 468 M CB -0.072 32.321 32.600 -0.346 0.000 1.361 468 M HN 0.150 nan 8.290 nan 0.000 0.408 469 V N 0.770 120.668 119.914 -0.026 0.000 2.295 469 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 469 V C 2.223 178.361 176.094 0.072 0.000 1.049 469 V CA 2.275 64.589 62.300 0.023 0.000 1.024 469 V CB -1.085 30.758 31.823 0.033 0.000 0.648 469 V HN 0.655 nan 8.190 nan 0.000 0.447 470 F N 0.668 120.585 119.950 -0.055 0.000 2.126 470 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 470 F C 2.073 177.861 175.800 -0.020 0.000 1.096 470 F CA 1.732 59.711 58.000 -0.035 0.000 1.255 470 F CB -0.347 38.548 39.000 -0.175 0.000 0.997 470 F HN 0.086 nan 8.300 nan 0.000 0.479 471 I N 0.290 120.639 120.570 -0.368 0.000 2.286 471 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 471 I C 2.353 178.237 176.117 -0.388 0.000 1.115 471 I CA 1.473 62.465 61.300 -0.513 0.000 1.392 471 I CB -0.441 37.427 38.000 -0.221 0.000 1.065 471 I HN 0.191 nan 8.210 nan 0.000 0.418 472 I N -0.803 119.643 120.570 -0.206 0.000 2.439 472 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 472 I C 2.365 178.500 176.117 0.030 0.000 1.139 472 I CA 1.115 62.334 61.300 -0.135 0.000 1.438 472 I CB -0.332 37.716 38.000 0.081 0.000 1.085 472 I HN 0.419 nan 8.210 nan 0.000 0.427 473 W N 2.225 123.441 121.300 -0.140 0.000 2.381 473 W HA -0.200 4.460 4.660 -0.000 0.000 0.301 473 W C 2.458 178.873 176.519 -0.174 0.000 1.205 473 W CA 1.485 58.793 57.345 -0.062 0.000 1.285 473 W CB -0.148 29.252 29.460 -0.099 0.000 1.133 473 W HN 0.026 nan 8.180 nan 0.000 0.521 474 E N 0.775 120.663 120.200 -0.521 0.000 2.085 474 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 474 E C 2.100 178.354 176.600 -0.577 0.000 0.994 474 E CA 1.769 57.688 56.400 -0.802 0.000 0.801 474 E CB -0.553 28.675 29.700 -0.786 0.000 0.743 474 E HN 0.320 nan 8.360 nan 0.000 0.453 475 A N 0.184 122.747 122.820 -0.428 0.000 1.877 475 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 475 A C 2.169 179.527 177.584 -0.376 0.000 1.186 475 A CA 1.323 53.160 52.037 -0.334 0.000 0.620 475 A CB -1.068 17.728 19.000 -0.340 0.000 0.822 475 A HN 0.327 nan 8.150 nan 0.000 0.443 476 F N -0.141 119.683 119.950 -0.211 0.000 2.293 476 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 476 F C 2.697 178.220 175.800 -0.462 0.000 1.086 476 F CA 0.669 58.512 58.000 -0.261 0.000 1.375 476 F CB 0.015 38.993 39.000 -0.036 0.000 1.045 476 F HN 0.292 nan 8.300 nan 0.000 0.516 477 A N -0.942 121.582 122.820 -0.493 0.000 1.930 477 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 477 A C 2.250 179.578 177.584 -0.427 0.000 1.176 477 A CA 1.696 53.372 52.037 -0.602 0.000 0.632 477 A CB -0.728 17.492 19.000 -1.300 0.000 0.819 477 A HN 0.255 nan 8.150 nan 0.000 0.445 478 S N -0.755 114.698 115.700 -0.412 0.000 2.425 478 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 478 S C 0.457 174.894 174.600 -0.272 0.000 1.024 478 S CA 0.635 58.669 58.200 -0.276 0.000 0.951 478 S CB -0.129 62.947 63.200 -0.206 0.000 0.796 478 S HN 0.573 nan 8.310 nan 0.000 0.498 479 K N 1.103 121.225 120.400 -0.465 0.000 3.239 479 K HA -0.154 4.166 4.320 -0.000 0.000 0.270 479 K C -0.915 175.584 176.600 -0.170 0.000 1.049 479 K CA 0.261 56.175 56.287 -0.621 0.000 0.769 479 K CB -1.164 31.104 32.500 -0.387 0.000 1.305 479 K HN 0.369 nan 8.250 nan 0.000 0.469 480 R N 1.644 122.101 120.500 -0.072 0.000 2.242 480 R HA 0.129 4.469 4.340 -0.000 0.000 0.334 480 R C 0.034 176.462 176.300 0.212 0.000 1.071 480 R CA -0.126 56.014 56.100 0.067 0.000 0.922 480 R CB 0.594 30.920 30.300 0.043 0.000 1.023 480 R HN 0.239 nan 8.270 nan 0.000 0.458 481 E N 1.839 122.163 120.200 0.206 0.000 2.301 481 E HA 0.146 4.496 4.350 -0.000 0.000 0.275 481 E C -0.237 176.426 176.600 0.106 0.000 1.030 481 E CA -0.619 55.901 56.400 0.200 0.000 0.852 481 E CB 1.737 31.533 29.700 0.160 0.000 1.060 481 E HN 0.198 nan 8.360 nan 0.000 0.401 482 V N 4.353 124.309 119.914 0.071 0.000 2.740 482 V HA -0.039 4.081 4.120 -0.000 0.000 0.303 482 V C 1.034 177.156 176.094 0.047 0.000 1.054 482 V CA 0.605 62.939 62.300 0.056 0.000 1.106 482 V CB 0.708 32.567 31.823 0.059 0.000 0.957 482 V HN 0.705 nan 8.190 nan 0.000 0.486 483 L N 2.411 123.657 121.223 0.038 0.000 2.519 483 L HA 0.269 4.609 4.340 -0.000 0.000 0.194 483 L C 0.737 177.623 176.870 0.027 0.000 1.072 483 L CA 0.633 55.492 54.840 0.033 0.000 0.845 483 L CB 0.501 42.577 42.059 0.027 0.000 1.138 483 L HN 0.631 nan 8.230 nan 0.000 0.487 484 T N 0.346 114.907 114.554 0.012 0.000 2.886 484 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 484 T C -0.951 173.726 174.700 -0.039 0.000 1.012 484 T CA -0.272 61.826 62.100 -0.003 0.000 0.982 484 T CB 2.803 71.667 68.868 -0.007 0.000 1.018 484 T HN -0.272 nan 8.240 nan 0.000 0.451 485 V N 3.211 123.087 119.914 -0.063 0.000 2.709 485 V HA 0.416 4.536 4.120 -0.000 0.000 0.308 485 V C -0.303 175.706 176.094 -0.142 0.000 1.062 485 V CA -1.047 61.150 62.300 -0.171 0.000 0.901 485 V CB 2.178 33.812 31.823 -0.316 0.000 1.003 485 V HN 0.849 nan 8.190 nan 0.000 0.425 486 D N 2.825 123.131 120.400 -0.156 0.000 2.358 486 D HA 0.474 5.114 4.640 -0.000 0.000 0.244 486 D C 0.865 177.049 176.300 -0.193 0.000 1.163 486 D CA -0.097 53.802 54.000 -0.169 0.000 0.945 486 D CB 1.268 41.918 40.800 -0.249 0.000 1.152 486 D HN 0.568 nan 8.370 nan 0.000 0.451 487 L N -0.133 120.980 121.223 -0.182 0.000 4.001 487 L HA -0.302 4.038 4.340 -0.000 0.000 0.413 487 L C 1.914 178.790 176.870 0.010 0.000 1.185 487 L CA 0.639 55.389 54.840 -0.149 0.000 0.963 487 L CB -2.628 39.204 42.059 -0.377 0.000 1.976 487 L HN 0.549 nan 8.230 nan 0.000 0.939 488 T N -4.549 110.033 114.554 0.046 0.000 2.869 488 T HA -0.228 4.122 4.350 -0.000 0.000 0.270 488 T C 1.686 176.478 174.700 0.153 0.000 1.082 488 T CA 1.784 63.974 62.100 0.151 0.000 1.123 488 T CB -0.531 68.430 68.868 0.156 0.000 0.856 488 T HN 0.644 nan 8.240 nan 0.000 0.499 489 T N -0.023 114.586 114.554 0.092 0.000 3.007 489 T HA -0.010 4.340 4.350 -0.000 0.000 0.270 489 T C 1.540 176.306 174.700 0.109 0.000 1.107 489 T CA 1.154 63.308 62.100 0.090 0.000 1.118 489 T CB -0.692 68.207 68.868 0.051 0.000 0.889 489 T HN 0.667 nan 8.240 nan 0.000 0.506 490 T N -1.148 113.481 114.554 0.126 0.000 3.393 490 T HA 0.358 4.708 4.350 -0.000 0.000 0.298 490 T C -0.051 174.791 174.700 0.236 0.000 1.004 490 T CA -0.837 61.350 62.100 0.145 0.000 0.956 490 T CB -0.144 68.775 68.868 0.085 0.000 1.182 490 T HN 0.267 nan 8.240 nan 0.000 0.497 491 N N 1.351 120.238 118.700 0.312 0.000 2.700 491 N HA 0.150 4.890 4.740 -0.000 0.000 0.242 491 N C 0.384 176.188 175.510 0.491 0.000 1.541 491 N CA -0.247 53.094 53.050 0.485 0.000 0.764 491 N CB 1.682 40.550 38.487 0.635 0.000 1.319 491 N HN 0.083 nan 8.380 nan 0.000 0.518 492 L N 1.920 123.370 121.223 0.379 0.000 2.187 492 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 492 L C 2.354 179.454 176.870 0.385 0.000 1.100 492 L CA 1.993 57.042 54.840 0.349 0.000 0.765 492 L CB -0.093 42.135 42.059 0.281 0.000 0.904 492 L HN 0.379 nan 8.230 nan 0.000 0.437 493 E N -1.610 118.809 120.200 0.365 0.000 2.338 493 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 493 E C 1.607 178.310 176.600 0.172 0.000 1.007 493 E CA 1.366 57.914 56.400 0.245 0.000 0.849 493 E CB -0.888 28.873 29.700 0.101 0.000 0.774 493 E HN 0.716 nan 8.360 nan 0.000 0.506 494 W N 0.369 121.815 121.300 0.243 0.000 3.197 494 W HA 0.217 4.877 4.660 -0.000 0.000 0.274 494 W C 1.734 178.332 176.519 0.133 0.000 1.297 494 W CA -0.495 56.950 57.345 0.166 0.000 1.662 494 W CB 0.136 29.678 29.460 0.138 0.000 1.106 494 W HN 0.084 nan 8.180 nan 0.000 0.663 495 L N 0.934 122.364 121.223 0.345 0.000 2.395 495 L HA 0.065 4.405 4.340 -0.000 0.000 0.218 495 L C 1.332 178.286 176.870 0.139 0.000 1.130 495 L CA 1.503 56.487 54.840 0.240 0.000 0.826 495 L CB -0.469 41.732 42.059 0.237 0.000 0.941 495 L HN -0.048 nan 8.230 nan 0.000 0.451 496 N N 0.757 119.517 118.700 0.100 0.000 2.434 496 N HA 0.153 4.893 4.740 -0.000 0.000 0.196 496 N C 0.716 176.260 175.510 0.056 0.000 1.183 496 N CA 0.797 53.857 53.050 0.016 0.000 0.849 496 N CB 0.068 38.496 38.487 -0.097 0.000 0.992 496 N HN 0.415 nan 8.380 nan 0.000 0.460 497 G N 0.319 109.187 108.800 0.112 0.000 2.781 497 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.683 497 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.683 497 G C -0.786 174.174 174.900 0.101 0.000 1.390 497 G CA -0.788 44.374 45.100 0.104 0.000 0.850 497 G HN 0.313 nan 8.290 nan 0.000 0.557 498 C N 2.790 122.135 119.300 0.075 0.000 2.316 498 C HA 0.677 5.137 4.460 -0.000 0.000 0.324 498 C C -1.372 173.593 174.990 -0.042 0.000 1.226 498 C CA -0.899 58.133 59.018 0.023 0.000 1.450 498 C CB 1.097 28.870 27.740 0.054 0.000 2.123 498 C HN 0.806 nan 8.230 nan 0.000 0.454 499 P HA 0.339 nan 4.420 nan 0.000 0.277 499 P C -2.546 174.803 177.300 0.082 0.000 1.240 499 P CA -1.113 62.007 63.100 0.032 0.000 0.798 499 P CB 0.406 32.147 31.700 0.068 0.000 0.979 500 P HA 0.215 nan 4.420 nan 0.000 0.272 500 P C -2.388 174.944 177.300 0.053 0.000 1.240 500 P CA -1.304 61.850 63.100 0.090 0.000 0.791 500 P CB -1.256 30.514 31.700 0.116 0.000 0.978 501 P HA 0.002 nan 4.420 nan 0.000 0.271 501 P C 0.827 178.117 177.300 -0.016 0.000 1.233 501 P CA -0.021 63.092 63.100 0.021 0.000 0.789 501 P CB 0.159 31.873 31.700 0.024 0.000 0.951 502 Y N 1.159 121.364 120.300 -0.159 0.000 2.069 502 Y HA -0.239 4.311 4.550 -0.000 0.000 0.278 502 Y C 0.830 176.514 175.900 -0.359 0.000 1.175 502 Y CA 1.799 59.713 58.100 -0.311 0.000 1.134 502 Y CB -0.494 37.750 38.460 -0.360 0.000 0.965 502 Y HN 0.395 nan 8.280 nan 0.000 0.498 503 H N -0.083 119.015 119.070 0.047 0.000 2.519 503 H HA 0.366 4.922 4.556 -0.000 0.000 0.316 503 H C -0.244 175.070 175.328 -0.023 0.000 1.065 503 H CA -0.190 55.855 56.048 -0.005 0.000 1.264 503 H CB 0.983 30.783 29.762 0.063 0.000 1.413 503 H HN 0.064 nan 8.280 nan 0.000 0.465 504 T N -0.215 114.397 114.554 0.096 0.000 2.930 504 T HA 0.302 4.652 4.350 -0.000 0.000 0.290 504 T C -0.159 174.565 174.700 0.040 0.000 1.052 504 T CA -0.998 61.058 62.100 -0.074 0.000 1.017 504 T CB 0.984 69.745 68.868 -0.180 0.000 1.137 504 T HN 0.551 nan 8.240 nan 0.000 0.511 505 F N -0.267 119.721 119.950 0.064 0.000 3.090 505 F HA -0.212 4.315 4.527 -0.000 0.000 0.282 505 F C 1.297 177.111 175.800 0.024 0.000 0.923 505 F CA 0.513 58.537 58.000 0.041 0.000 0.977 505 F CB -2.425 36.590 39.000 0.025 0.000 0.954 505 F HN 0.791 nan 8.300 nan 0.000 0.695 506 E N 0.147 120.412 120.200 0.109 0.000 2.153 506 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 506 E C 1.042 177.676 176.600 0.058 0.000 0.988 506 E CA 1.241 57.674 56.400 0.055 0.000 0.811 506 E CB 0.090 29.795 29.700 0.008 0.000 0.746 506 E HN 0.649 nan 8.360 nan 0.000 0.466 507 E N 1.733 121.978 120.200 0.075 0.000 2.133 507 E HA 0.166 4.516 4.350 -0.000 0.000 0.274 507 E C -2.394 174.296 176.600 0.151 0.000 0.930 507 E CA -2.690 53.762 56.400 0.086 0.000 0.770 507 E CB 1.154 30.894 29.700 0.067 0.000 1.104 507 E HN -0.159 nan 8.360 nan 0.000 0.403 508 P HA 0.042 nan 4.420 nan 0.000 0.274 508 P C -0.308 177.113 177.300 0.203 0.000 1.256 508 P CA -0.435 62.775 63.100 0.183 0.000 0.795 508 P CB 0.548 32.297 31.700 0.082 0.000 1.038 509 T N -1.410 113.276 114.554 0.220 0.000 2.906 509 T HA 0.038 4.388 4.350 -0.000 0.000 0.320 509 T C -0.307 174.499 174.700 0.177 0.000 1.088 509 T CA -0.108 62.117 62.100 0.208 0.000 1.120 509 T CB -0.149 68.816 68.868 0.162 0.000 1.000 509 T HN 0.369 nan 8.240 nan 0.000 0.550 510 Y N 2.132 122.472 120.300 0.067 0.000 2.326 510 Y HA 0.551 5.101 4.550 -0.000 0.000 0.337 510 Y C -1.105 174.817 175.900 0.037 0.000 1.023 510 Y CA -1.023 57.103 58.100 0.044 0.000 1.143 510 Y CB 0.876 39.361 38.460 0.042 0.000 1.183 510 Y HN 0.616 nan 8.280 nan 0.000 0.485 511 V N 6.683 126.381 119.914 -0.361 0.000 2.612 511 V HA 0.269 4.389 4.120 -0.000 0.000 0.301 511 V C -0.788 175.070 176.094 -0.392 0.000 1.059 511 V CA -1.227 60.936 62.300 -0.229 0.000 0.886 511 V CB 1.792 33.559 31.823 -0.093 0.000 1.007 511 V HN 0.866 nan 8.190 nan 0.000 0.426 512 N N 2.827 121.359 118.700 -0.279 0.000 2.515 512 N HA 0.477 5.217 4.740 -0.000 0.000 0.279 512 N C 0.705 176.157 175.510 -0.096 0.000 1.164 512 N CA -0.636 52.298 53.050 -0.194 0.000 0.982 512 N CB 1.780 40.269 38.487 0.003 0.000 1.170 512 N HN 0.587 nan 8.380 nan 0.000 0.474 513 L N 1.313 122.493 121.223 -0.072 0.000 2.253 513 L HA 0.180 4.520 4.340 -0.000 0.000 0.205 513 L C 0.317 177.181 176.870 -0.010 0.000 1.078 513 L CA 0.664 55.482 54.840 -0.037 0.000 0.805 513 L CB -0.064 41.974 42.059 -0.034 0.000 0.963 513 L HN 0.693 nan 8.230 nan 0.000 0.459 514 K N 0.000 120.399 120.400 -0.001 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.012 0.000 0.838 514 K CB 0.000 32.509 32.500 0.016 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543