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 3ag1_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.806 175.800 0.010 0.000 0.967 2 F CA 0.000 58.052 58.000 0.086 0.000 1.383 2 F CB 0.000 39.054 39.000 0.090 0.000 1.145 3 I N 1.509 122.103 120.570 0.040 0.000 2.163 3 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 3 I C 1.686 177.433 176.117 -0.617 0.000 1.085 3 I CA 1.971 63.088 61.300 -0.305 0.000 1.347 3 I CB -0.494 37.288 38.000 -0.365 0.000 1.044 3 I HN 0.284 nan 8.210 nan 0.000 0.408 4 N N 0.427 118.859 118.700 -0.446 0.000 2.166 4 N HA -0.202 4.538 4.740 -0.000 0.000 0.186 4 N C 1.869 177.223 175.510 -0.259 0.000 1.019 4 N CA 1.192 54.048 53.050 -0.324 0.000 0.856 4 N CB -0.321 38.086 38.487 -0.134 0.000 0.993 4 N HN 0.323 nan 8.380 nan 0.000 0.426 5 R N -1.121 119.143 120.500 -0.394 0.000 2.080 5 R HA 0.004 4.344 4.340 -0.000 0.000 0.222 5 R C 1.079 176.920 176.300 -0.765 0.000 1.107 5 R CA 0.901 56.624 56.100 -0.628 0.000 0.980 5 R CB -0.092 29.706 30.300 -0.838 0.000 0.879 5 R HN 0.237 nan 8.270 nan 0.000 0.439 6 W N -0.754 120.329 121.300 -0.362 0.000 3.107 6 W HA 0.221 4.881 4.660 -0.000 0.000 0.293 6 W C 0.931 177.448 176.519 -0.002 0.000 1.239 6 W CA -0.522 56.645 57.345 -0.296 0.000 1.653 6 W CB 0.552 29.629 29.460 -0.638 0.000 1.068 6 W HN 0.077 nan 8.180 nan 0.000 0.615 7 L N -1.762 119.515 121.223 0.089 0.000 2.717 7 L HA 0.233 4.573 4.340 -0.000 0.000 0.239 7 L C 0.692 177.796 176.870 0.390 0.000 1.086 7 L CA 0.718 55.663 54.840 0.174 0.000 0.897 7 L CB -0.198 41.758 42.059 -0.172 0.000 1.214 7 L HN -0.188 nan 8.230 nan 0.000 0.508 8 F N -0.901 119.061 119.950 0.019 0.000 2.772 8 F HA 0.396 4.923 4.527 -0.000 0.000 0.302 8 F C 1.207 177.012 175.800 0.007 0.000 1.136 8 F CA -1.074 56.925 58.000 -0.002 0.000 1.322 8 F CB -0.838 38.139 39.000 -0.038 0.000 0.967 8 F HN -0.203 nan 8.300 nan 0.000 0.513 9 S N 0.904 116.726 115.700 0.203 0.000 2.560 9 S HA 0.199 4.669 4.470 -0.000 0.000 0.284 9 S C 1.058 175.692 174.600 0.057 0.000 1.327 9 S CA 0.444 58.670 58.200 0.044 0.000 1.055 9 S CB 0.345 63.509 63.200 -0.060 0.000 0.868 9 S HN 0.469 nan 8.310 nan 0.000 0.506 10 T N 1.518 116.076 114.554 0.007 0.000 3.415 10 T HA 0.326 4.676 4.350 -0.000 0.000 0.282 10 T C -0.353 174.302 174.700 -0.076 0.000 1.007 10 T CA -0.782 61.317 62.100 -0.001 0.000 0.958 10 T CB -0.467 68.421 68.868 0.034 0.000 1.171 10 T HN 0.513 nan 8.240 nan 0.000 0.500 11 N N 1.238 119.825 118.700 -0.188 0.000 2.346 11 N HA 0.167 4.907 4.740 -0.000 0.000 0.289 11 N C 0.755 176.027 175.510 -0.396 0.000 1.027 11 N CA -0.379 52.436 53.050 -0.392 0.000 0.864 11 N CB 1.744 39.766 38.487 -0.775 0.000 1.370 11 N HN 0.572 nan 8.380 nan 0.000 0.481 12 H N 2.773 121.601 119.070 -0.403 0.000 2.457 12 H HA 0.101 4.657 4.556 -0.000 0.000 0.294 12 H C 0.969 175.938 175.328 -0.598 0.000 1.064 12 H CA 1.227 57.047 56.048 -0.380 0.000 1.330 12 H CB 0.394 29.979 29.762 -0.294 0.000 1.395 12 H HN 0.483 nan 8.280 nan 0.000 0.541 13 K N 0.448 119.969 120.400 -1.464 0.000 2.031 13 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 13 K C 1.530 177.450 176.600 -1.132 0.000 1.049 13 K CA 1.374 56.550 56.287 -1.851 0.000 0.939 13 K CB 0.048 31.434 32.500 -1.857 0.000 0.717 13 K HN 0.259 nan 8.250 nan 0.000 0.438 14 D N 1.163 121.126 120.400 -0.729 0.000 2.117 14 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 14 D C 1.908 178.078 176.300 -0.216 0.000 0.987 14 D CA 0.987 54.767 54.000 -0.367 0.000 0.829 14 D CB -0.199 40.255 40.800 -0.576 0.000 0.961 14 D HN 0.132 nan 8.370 nan 0.000 0.460 15 I N 0.833 121.229 120.570 -0.290 0.000 2.226 15 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 15 I C 2.546 178.601 176.117 -0.104 0.000 1.100 15 I CA 1.367 62.549 61.300 -0.197 0.000 1.374 15 I CB -0.485 37.469 38.000 -0.076 0.000 1.057 15 I HN 0.020 nan 8.210 nan 0.000 0.413 16 G N 0.118 108.778 108.800 -0.234 0.000 2.446 16 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 16 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 16 G C 1.669 176.590 174.900 0.034 0.000 1.168 16 G CA 1.559 46.583 45.100 -0.126 0.000 0.771 16 G HN 0.294 nan 8.290 nan 0.000 0.551 17 T N 1.360 115.915 114.554 0.002 0.000 2.708 17 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 17 T C 2.440 177.134 174.700 -0.009 0.000 1.037 17 T CA 1.015 63.196 62.100 0.136 0.000 1.146 17 T CB -0.245 68.777 68.868 0.256 0.000 0.865 17 T HN 0.160 nan 8.240 nan 0.000 0.435 18 L N -0.548 120.557 121.223 -0.197 0.000 2.079 18 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 18 L C 2.371 178.973 176.870 -0.446 0.000 1.081 18 L CA 1.541 56.043 54.840 -0.564 0.000 0.752 18 L CB -0.612 40.642 42.059 -1.342 0.000 0.896 18 L HN 0.281 nan 8.230 nan 0.000 0.433 19 Y N -0.194 119.928 120.300 -0.296 0.000 2.181 19 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 19 Y C 2.400 178.410 175.900 0.182 0.000 1.146 19 Y CA 1.338 59.477 58.100 0.066 0.000 1.164 19 Y CB -0.229 38.280 38.460 0.081 0.000 0.982 19 Y HN 0.049 nan 8.280 nan 0.000 0.515 20 L N -1.012 120.361 121.223 0.250 0.000 2.056 20 L HA -0.242 4.098 4.340 -0.000 0.000 0.207 20 L C 2.223 179.219 176.870 0.210 0.000 1.078 20 L CA 1.063 56.015 54.840 0.187 0.000 0.749 20 L CB -0.674 41.440 42.059 0.092 0.000 0.901 20 L HN 0.238 nan 8.230 nan 0.000 0.433 21 L N -1.275 120.054 121.223 0.177 0.000 1.989 21 L HA -0.283 4.057 4.340 -0.000 0.000 0.211 21 L C 2.558 179.590 176.870 0.270 0.000 1.071 21 L CA 1.513 56.460 54.840 0.178 0.000 0.749 21 L CB -0.703 41.406 42.059 0.083 0.000 0.890 21 L HN 0.141 nan 8.230 nan 0.000 0.431 22 F N 0.920 120.984 119.950 0.190 0.000 2.087 22 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 22 F C 2.214 178.222 175.800 0.346 0.000 1.100 22 F CA 1.902 60.079 58.000 0.294 0.000 1.226 22 F CB -0.618 38.599 39.000 0.361 0.000 0.983 22 F HN 0.012 nan 8.300 nan 0.000 0.479 23 G N -0.826 108.225 108.800 0.418 0.000 2.408 23 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.217 23 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.217 23 G C 1.784 176.771 174.900 0.145 0.000 1.150 23 G CA 0.659 45.927 45.100 0.280 0.000 0.776 23 G HN 0.633 nan 8.290 nan 0.000 0.542 24 A N 0.099 123.008 122.820 0.148 0.000 1.877 24 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 24 A C 2.150 179.798 177.584 0.106 0.000 1.186 24 A CA 1.605 53.696 52.037 0.089 0.000 0.620 24 A CB -0.757 18.297 19.000 0.090 0.000 0.822 24 A HN 0.527 nan 8.150 nan 0.000 0.443 25 W N 0.396 121.679 121.300 -0.030 0.000 2.355 25 W HA -0.100 4.560 4.660 -0.000 0.000 0.309 25 W C 2.594 179.093 176.519 -0.033 0.000 1.206 25 W CA 2.322 59.642 57.345 -0.040 0.000 1.284 25 W CB -0.258 29.168 29.460 -0.057 0.000 1.145 25 W HN 0.370 nan 8.180 nan 0.000 0.502 26 A N 0.635 123.533 122.820 0.130 0.000 1.892 26 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 26 A C 2.233 179.815 177.584 -0.003 0.000 1.188 26 A CA 2.292 54.367 52.037 0.064 0.000 0.631 26 A CB -1.794 17.143 19.000 -0.106 0.000 0.822 26 A HN 0.442 nan 8.150 nan 0.000 0.447 27 G N -0.645 108.154 108.800 -0.002 0.000 2.547 27 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.221 27 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.221 27 G C 1.500 176.364 174.900 -0.059 0.000 1.140 27 G CA 1.630 46.724 45.100 -0.012 0.000 0.760 27 G HN 0.395 nan 8.290 nan 0.000 0.583 28 M N 0.191 119.699 119.600 -0.153 0.000 2.132 28 M HA 0.010 4.490 4.480 -0.000 0.000 0.263 28 M C 2.843 179.010 176.300 -0.222 0.000 1.065 28 M CA 0.675 55.850 55.300 -0.208 0.000 1.122 28 M CB -1.248 31.160 32.600 -0.319 0.000 1.365 28 M HN 0.131 nan 8.290 nan 0.000 0.411 29 V N 0.544 120.278 119.914 -0.300 0.000 2.324 29 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 29 V C 2.628 178.716 176.094 -0.010 0.000 1.060 29 V CA 2.197 64.388 62.300 -0.183 0.000 1.042 29 V CB -1.776 29.956 31.823 -0.152 0.000 0.650 29 V HN 0.585 nan 8.190 nan 0.000 0.450 30 G N -1.038 107.784 108.800 0.038 0.000 2.430 30 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 30 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 30 G C 1.660 176.660 174.900 0.166 0.000 1.146 30 G CA 1.149 46.323 45.100 0.123 0.000 0.793 30 G HN 0.468 nan 8.290 nan 0.000 0.537 31 T N 1.861 116.458 114.554 0.071 0.000 2.708 31 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 31 T C 2.845 177.542 174.700 -0.004 0.000 1.037 31 T CA 1.495 63.621 62.100 0.044 0.000 1.146 31 T CB -0.398 68.469 68.868 -0.001 0.000 0.865 31 T HN 0.341 nan 8.240 nan 0.000 0.435 32 A N 1.345 124.145 122.820 -0.034 0.000 1.883 32 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 32 A C 2.317 179.887 177.584 -0.024 0.000 1.186 32 A CA 1.452 53.457 52.037 -0.053 0.000 0.624 32 A CB -0.995 17.961 19.000 -0.073 0.000 0.822 32 A HN 0.474 nan 8.150 nan 0.000 0.444 33 L N 0.437 121.676 121.223 0.026 0.000 2.083 33 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 33 L C 3.024 179.866 176.870 -0.047 0.000 1.083 33 L CA 1.615 56.479 54.840 0.039 0.000 0.752 33 L CB -0.455 41.682 42.059 0.130 0.000 0.899 33 L HN 0.630 nan 8.230 nan 0.000 0.433 34 S N -0.237 115.420 115.700 -0.073 0.000 2.402 34 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 34 S C 1.921 176.430 174.600 -0.152 0.000 1.021 34 S CA 0.883 58.913 58.200 -0.283 0.000 0.974 34 S CB -0.561 62.532 63.200 -0.179 0.000 0.800 34 S HN 0.381 nan 8.310 nan 0.000 0.484 35 L N 0.424 121.582 121.223 -0.107 0.000 2.179 35 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 35 L C 2.535 179.381 176.870 -0.039 0.000 1.096 35 L CA 0.654 55.423 54.840 -0.119 0.000 0.779 35 L CB -0.499 41.432 42.059 -0.213 0.000 0.922 35 L HN 0.294 nan 8.230 nan 0.000 0.443 36 L N -0.309 120.902 121.223 -0.021 0.000 2.042 36 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 36 L C 2.447 179.365 176.870 0.080 0.000 1.076 36 L CA 1.405 56.266 54.840 0.035 0.000 0.749 36 L CB -0.418 41.657 42.059 0.028 0.000 0.893 36 L HN 0.210 nan 8.230 nan 0.000 0.432 37 I N -0.724 119.860 120.570 0.023 0.000 2.208 37 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 37 I C 2.611 178.844 176.117 0.192 0.000 1.097 37 I CA 1.233 62.595 61.300 0.104 0.000 1.363 37 I CB -0.341 37.629 38.000 -0.051 0.000 1.051 37 I HN 0.240 nan 8.210 nan 0.000 0.413 38 R N 0.613 121.170 120.500 0.094 0.000 2.200 38 R HA 0.100 4.440 4.340 -0.000 0.000 0.208 38 R C 2.254 178.643 176.300 0.149 0.000 1.033 38 R CA 1.048 57.209 56.100 0.102 0.000 1.000 38 R CB -0.305 30.016 30.300 0.036 0.000 0.906 38 R HN 0.341 nan 8.270 nan 0.000 0.462 39 A N 1.390 124.306 122.820 0.160 0.000 1.873 39 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 39 A C 2.085 179.754 177.584 0.141 0.000 1.186 39 A CA 1.497 53.637 52.037 0.172 0.000 0.616 39 A CB -0.287 18.811 19.000 0.164 0.000 0.823 39 A HN 0.214 nan 8.150 nan 0.000 0.442 40 E N 0.299 120.597 120.200 0.165 0.000 2.118 40 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 40 E C 1.532 178.193 176.600 0.103 0.000 0.992 40 E CA 1.359 57.839 56.400 0.134 0.000 0.804 40 E CB -0.356 29.476 29.700 0.221 0.000 0.741 40 E HN 0.595 nan 8.360 nan 0.000 0.458 41 L N -1.003 120.325 121.223 0.175 0.000 2.567 41 L HA 0.274 4.614 4.340 -0.000 0.000 0.225 41 L C 2.124 179.150 176.870 0.260 0.000 1.119 41 L CA 0.347 55.346 54.840 0.264 0.000 0.871 41 L CB 0.032 42.234 42.059 0.238 0.000 1.036 41 L HN 0.227 nan 8.230 nan 0.000 0.459 42 G N 0.455 109.350 108.800 0.159 0.000 2.471 42 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 42 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 42 G C 0.550 175.515 174.900 0.109 0.000 1.125 42 G CA 0.276 45.444 45.100 0.114 0.000 0.775 42 G HN 0.519 nan 8.290 nan 0.000 0.548 43 Q N -0.751 119.120 119.800 0.118 0.000 2.456 43 Q HA 0.572 4.912 4.340 -0.000 0.000 0.284 43 Q C -3.205 172.820 176.000 0.042 0.000 1.061 43 Q CA -2.383 53.482 55.803 0.103 0.000 0.799 43 Q CB 1.892 30.650 28.738 0.033 0.000 1.445 43 Q HN -0.125 nan 8.270 nan 0.000 0.411 44 P HA 0.379 nan 4.420 nan 0.000 0.269 44 P C 0.185 177.366 177.300 -0.199 0.000 1.215 44 P CA 1.147 64.078 63.100 -0.281 0.000 0.780 44 P CB 0.533 32.134 31.700 -0.165 0.000 0.898 45 G N -0.246 108.397 108.800 -0.262 0.000 2.549 45 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.404 45 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.404 45 G C -0.862 173.940 174.900 -0.164 0.000 1.292 45 G CA -0.372 44.627 45.100 -0.169 0.000 0.935 45 G HN 0.716 nan 8.290 nan 0.000 0.512 46 T N -0.396 114.091 114.554 -0.111 0.000 2.837 46 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 46 T C 1.148 175.819 174.700 -0.047 0.000 0.984 46 T CA 0.486 62.533 62.100 -0.089 0.000 1.049 46 T CB 1.225 70.051 68.868 -0.070 0.000 0.947 46 T HN 1.461 nan 8.240 nan 0.000 0.472 47 L N 4.959 126.169 121.223 -0.022 0.000 2.445 47 L HA 0.487 4.827 4.340 -0.000 0.000 0.207 47 L C 1.683 178.568 176.870 0.025 0.000 1.053 47 L CA 1.091 55.937 54.840 0.010 0.000 0.841 47 L CB -0.206 41.875 42.059 0.036 0.000 1.074 47 L HN 0.705 nan 8.230 nan 0.000 0.479 48 L N -0.570 120.676 121.223 0.038 0.000 2.446 48 L HA 0.260 4.600 4.340 -0.000 0.000 0.219 48 L C 1.864 178.756 176.870 0.036 0.000 1.116 48 L CA 0.766 55.639 54.840 0.055 0.000 0.844 48 L CB -0.682 41.438 42.059 0.101 0.000 0.970 48 L HN 0.534 nan 8.230 nan 0.000 0.457 49 G N -0.053 108.755 108.800 0.013 0.000 2.353 49 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.258 49 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.258 49 G C 0.253 175.159 174.900 0.010 0.000 1.013 49 G CA 0.630 45.733 45.100 0.004 0.000 0.622 49 G HN 0.402 nan 8.290 nan 0.000 0.535 50 D N 0.499 120.918 120.400 0.032 0.000 2.462 50 D HA 0.466 5.106 4.640 -0.000 0.000 0.245 50 D C 0.422 176.766 176.300 0.073 0.000 1.122 50 D CA -0.562 53.463 54.000 0.043 0.000 0.864 50 D CB 0.814 41.643 40.800 0.048 0.000 1.098 50 D HN 0.051 nan 8.370 nan 0.000 0.541 51 D N 2.254 122.688 120.400 0.057 0.000 2.317 51 D HA -0.133 4.507 4.640 -0.000 0.000 0.211 51 D C 1.575 177.962 176.300 0.145 0.000 0.966 51 D CA 0.534 54.590 54.000 0.094 0.000 0.876 51 D CB 0.436 41.249 40.800 0.023 0.000 0.927 51 D HN 0.467 nan 8.370 nan 0.000 0.519 52 Q N 0.810 120.669 119.800 0.098 0.000 2.119 52 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 52 Q C 1.982 178.057 176.000 0.126 0.000 0.972 52 Q CA 1.056 56.922 55.803 0.105 0.000 0.847 52 Q CB -0.232 28.541 28.738 0.059 0.000 0.903 52 Q HN 0.275 nan 8.270 nan 0.000 0.433 53 I N -0.312 120.330 120.570 0.120 0.000 2.315 53 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 53 I C 1.975 178.181 176.117 0.148 0.000 1.117 53 I CA 1.234 62.605 61.300 0.119 0.000 1.404 53 I CB -0.370 37.691 38.000 0.101 0.000 1.071 53 I HN 0.308 nan 8.210 nan 0.000 0.419 54 Y N 2.314 122.652 120.300 0.064 0.000 2.145 54 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 54 Y C 2.371 178.326 175.900 0.091 0.000 1.145 54 Y CA 1.834 59.978 58.100 0.073 0.000 1.148 54 Y CB -0.247 38.254 38.460 0.068 0.000 0.981 54 Y HN 0.181 nan 8.280 nan 0.000 0.507 55 N N -0.082 118.717 118.700 0.165 0.000 2.223 55 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 55 N C 1.914 177.441 175.510 0.028 0.000 1.016 55 N CA 1.540 54.643 53.050 0.088 0.000 0.863 55 N CB -0.639 37.949 38.487 0.169 0.000 0.983 55 N HN 0.321 nan 8.380 nan 0.000 0.429 56 V N 0.421 120.373 119.914 0.064 0.000 2.358 56 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 56 V C 2.355 178.473 176.094 0.039 0.000 1.047 56 V CA 1.053 63.401 62.300 0.079 0.000 1.035 56 V CB -0.404 31.480 31.823 0.102 0.000 0.658 56 V HN 0.070 nan 8.190 nan 0.000 0.452 57 V N -0.381 119.517 119.914 -0.026 0.000 2.343 57 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 57 V C 2.403 178.447 176.094 -0.084 0.000 1.051 57 V CA 1.866 64.135 62.300 -0.053 0.000 1.036 57 V CB -0.265 31.498 31.823 -0.099 0.000 0.654 57 V HN 0.410 nan 8.190 nan 0.000 0.451 58 V N -0.305 119.476 119.914 -0.222 0.000 2.515 58 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 58 V C 2.493 178.578 176.094 -0.015 0.000 1.058 58 V CA 2.470 64.677 62.300 -0.155 0.000 1.064 58 V CB -0.784 30.897 31.823 -0.237 0.000 0.675 58 V HN 0.615 nan 8.190 nan 0.000 0.461 59 T N 0.282 114.822 114.554 -0.022 0.000 2.732 59 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 59 T C 2.097 176.781 174.700 -0.026 0.000 1.040 59 T CA 1.500 63.568 62.100 -0.052 0.000 1.145 59 T CB -0.368 68.517 68.868 0.028 0.000 0.866 59 T HN 0.543 nan 8.240 nan 0.000 0.427 60 A N 1.244 124.148 122.820 0.139 0.000 1.902 60 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 60 A C 1.967 179.672 177.584 0.202 0.000 1.181 60 A CA 2.328 54.520 52.037 0.258 0.000 0.623 60 A CB -1.054 18.093 19.000 0.245 0.000 0.818 60 A HN 0.686 nan 8.150 nan 0.000 0.443 61 H N 0.444 119.541 119.070 0.044 0.000 2.289 61 H HA -0.162 4.394 4.556 -0.000 0.000 0.294 61 H C 2.126 177.445 175.328 -0.016 0.000 1.095 61 H CA 2.651 58.714 56.048 0.026 0.000 1.256 61 H CB -0.444 29.320 29.762 0.004 0.000 1.359 61 H HN 0.384 nan 8.280 nan 0.000 0.487 62 A N -0.202 122.475 122.820 -0.238 0.000 1.877 62 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 62 A C 2.286 179.691 177.584 -0.300 0.000 1.186 62 A CA 1.590 53.332 52.037 -0.492 0.000 0.620 62 A CB -1.072 17.553 19.000 -0.625 0.000 0.822 62 A HN 0.452 nan 8.150 nan 0.000 0.443 63 F N 0.013 120.000 119.950 0.062 0.000 2.134 63 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 63 F C 2.509 178.392 175.800 0.139 0.000 1.097 63 F CA 1.125 59.247 58.000 0.202 0.000 1.264 63 F CB -0.986 38.155 39.000 0.235 0.000 1.001 63 F HN 0.016 nan 8.300 nan 0.000 0.479 64 V N -0.528 119.609 119.914 0.371 0.000 2.343 64 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 64 V C 2.479 178.626 176.094 0.089 0.000 1.051 64 V CA 1.488 63.982 62.300 0.323 0.000 1.036 64 V CB -0.548 31.444 31.823 0.282 0.000 0.654 64 V HN 0.228 nan 8.190 nan 0.000 0.451 65 M N -1.064 118.487 119.600 -0.083 0.000 2.156 65 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 65 M C 2.048 178.233 176.300 -0.193 0.000 1.067 65 M CA 1.682 56.884 55.300 -0.163 0.000 1.131 65 M CB -0.861 31.541 32.600 -0.329 0.000 1.368 65 M HN 0.267 nan 8.290 nan 0.000 0.416 66 I N -1.216 119.185 120.570 -0.281 0.000 2.130 66 I HA -0.256 3.914 4.170 -0.000 0.000 0.234 66 I C 1.978 177.831 176.117 -0.439 0.000 1.067 66 I CA 1.234 62.274 61.300 -0.433 0.000 1.339 66 I CB -0.393 37.214 38.000 -0.655 0.000 1.073 66 I HN 0.045 nan 8.210 nan 0.000 0.405 67 F N -0.365 119.400 119.950 -0.309 0.000 2.367 67 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 67 F C 1.747 177.215 175.800 -0.554 0.000 1.094 67 F CA 1.053 58.747 58.000 -0.511 0.000 1.409 67 F CB -0.117 38.372 39.000 -0.852 0.000 1.064 67 F HN -0.024 nan 8.300 nan 0.000 0.528 68 F N -2.722 117.330 119.950 0.171 0.000 2.727 68 F HA 0.187 4.714 4.527 -0.000 0.000 0.302 68 F C 1.871 177.743 175.800 0.121 0.000 1.107 68 F CA 0.059 58.137 58.000 0.130 0.000 1.277 68 F CB -0.249 38.534 39.000 -0.362 0.000 1.079 68 F HN -0.123 nan 8.300 nan 0.000 0.594 69 M N -0.475 119.219 119.600 0.157 0.000 2.961 69 M HA 0.112 4.592 4.480 -0.000 0.000 0.224 69 M C 2.022 178.391 176.300 0.115 0.000 1.418 69 M CA 1.120 56.495 55.300 0.125 0.000 1.341 69 M CB -0.443 32.190 32.600 0.054 0.000 1.087 69 M HN -0.094 nan 8.290 nan 0.000 0.554 70 V N 1.450 121.376 119.914 0.021 0.000 2.295 70 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 70 V C 2.532 178.641 176.094 0.024 0.000 1.049 70 V CA 1.847 64.151 62.300 0.005 0.000 1.024 70 V CB -0.710 31.061 31.823 -0.086 0.000 0.648 70 V HN 0.496 nan 8.190 nan 0.000 0.447 71 M N -0.429 119.160 119.600 -0.018 0.000 2.099 71 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 71 M C -0.066 176.296 176.300 0.102 0.000 1.067 71 M CA 2.180 57.481 55.300 0.002 0.000 1.124 71 M CB -1.466 31.103 32.600 -0.051 0.000 1.353 71 M HN 0.287 nan 8.290 nan 0.000 0.410 72 P HA -0.102 nan 4.420 nan 0.000 0.216 72 P C 1.416 178.881 177.300 0.275 0.000 1.153 72 P CA 1.376 64.705 63.100 0.381 0.000 0.848 72 P CB -0.194 31.917 31.700 0.684 0.000 0.787 73 I N -1.914 118.820 120.570 0.273 0.000 2.142 73 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 73 I C 2.553 178.867 176.117 0.329 0.000 1.078 73 I CA 1.699 63.159 61.300 0.267 0.000 1.343 73 I CB -0.414 37.751 38.000 0.275 0.000 1.046 73 I HN -0.093 nan 8.210 nan 0.000 0.405 74 M N -0.281 119.488 119.600 0.281 0.000 2.160 74 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 74 M C 2.241 178.661 176.300 0.200 0.000 1.073 74 M CA 1.831 57.319 55.300 0.312 0.000 1.142 74 M CB -0.005 32.685 32.600 0.150 0.000 1.358 74 M HN 0.134 nan 8.290 nan 0.000 0.422 75 I N -1.005 119.581 120.570 0.027 0.000 2.296 75 I HA -0.031 4.139 4.170 -0.000 0.000 0.242 75 I C 2.521 178.548 176.117 -0.151 0.000 1.087 75 I CA 1.238 62.461 61.300 -0.128 0.000 1.393 75 I CB -0.812 37.097 38.000 -0.152 0.000 1.093 75 I HN 0.275 nan 8.210 nan 0.000 0.421 76 G N 0.250 108.813 108.800 -0.394 0.000 2.403 76 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.216 76 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.216 76 G C 1.606 176.144 174.900 -0.604 0.000 1.154 76 G CA 0.775 45.149 45.100 -1.210 0.000 0.784 76 G HN 0.476 nan 8.290 nan 0.000 0.538 77 G N 0.564 109.256 108.800 -0.179 0.000 2.607 77 G HA2 0.024 3.984 3.960 -0.000 0.000 0.215 77 G HA3 0.024 3.984 3.960 -0.000 0.000 0.215 77 G C 1.505 176.381 174.900 -0.040 0.000 1.275 77 G CA 0.511 45.589 45.100 -0.036 0.000 0.842 77 G HN 0.277 nan 8.290 nan 0.000 0.555 78 F N 1.800 121.810 119.950 0.100 0.000 2.171 78 F HA 0.022 4.549 4.527 -0.000 0.000 0.300 78 F C 2.930 178.844 175.800 0.191 0.000 1.090 78 F CA 0.998 59.047 58.000 0.081 0.000 1.293 78 F CB -0.392 38.615 39.000 0.012 0.000 1.013 78 F HN 0.235 nan 8.300 nan 0.000 0.486 79 G N 0.032 109.046 108.800 0.358 0.000 2.433 79 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 79 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 79 G C 1.632 176.780 174.900 0.414 0.000 1.186 79 G CA 0.929 46.164 45.100 0.225 0.000 0.779 79 G HN 0.241 nan 8.290 nan 0.000 0.543 80 N N -0.092 118.838 118.700 0.383 0.000 2.166 80 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 80 N C 1.941 177.588 175.510 0.228 0.000 1.019 80 N CA 0.956 54.153 53.050 0.245 0.000 0.856 80 N CB -0.276 38.252 38.487 0.069 0.000 0.993 80 N HN 0.560 nan 8.380 nan 0.000 0.426 81 W N 1.411 122.722 121.300 0.018 0.000 2.354 81 W HA 0.004 4.664 4.660 -0.000 0.000 0.315 81 W C 2.126 178.696 176.519 0.085 0.000 1.206 81 W CA 0.647 57.956 57.345 -0.060 0.000 1.290 81 W CB -0.231 28.981 29.460 -0.414 0.000 1.152 81 W HN -0.002 nan 8.180 nan 0.000 0.489 82 L N -1.710 119.717 121.223 0.340 0.000 2.253 82 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 82 L C 2.078 179.059 176.870 0.187 0.000 1.078 82 L CA 0.093 55.032 54.840 0.166 0.000 0.805 82 L CB -1.094 40.882 42.059 -0.137 0.000 0.963 82 L HN -0.218 nan 8.230 nan 0.000 0.459 83 V N 0.981 121.032 119.914 0.229 0.000 2.255 83 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 83 V C -0.207 175.896 176.094 0.015 0.000 1.051 83 V CA 2.248 64.631 62.300 0.139 0.000 1.018 83 V CB -1.420 30.504 31.823 0.169 0.000 0.641 83 V HN 0.313 nan 8.190 nan 0.000 0.445 84 P HA -0.121 nan 4.420 nan 0.000 0.216 84 P C 1.803 179.047 177.300 -0.094 0.000 1.150 84 P CA 1.406 64.357 63.100 -0.248 0.000 0.837 84 P CB -0.071 31.209 31.700 -0.700 0.000 0.786 85 L N -2.293 118.986 121.223 0.094 0.000 2.217 85 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 85 L C 2.370 179.342 176.870 0.169 0.000 1.107 85 L CA 1.163 56.170 54.840 0.278 0.000 0.783 85 L CB -0.758 41.496 42.059 0.324 0.000 0.919 85 L HN -0.029 nan 8.230 nan 0.000 0.442 86 M N -0.164 119.498 119.600 0.103 0.000 2.492 86 M HA -0.002 4.478 4.480 -0.000 0.000 0.262 86 M C 1.665 177.979 176.300 0.023 0.000 1.090 86 M CA 1.257 56.629 55.300 0.120 0.000 1.110 86 M CB 0.169 32.879 32.600 0.184 0.000 1.407 86 M HN 0.340 nan 8.290 nan 0.000 0.470 87 I N -4.641 115.872 120.570 -0.096 0.000 4.147 87 I HA 0.496 4.666 4.170 -0.000 0.000 0.329 87 I C 0.826 176.726 176.117 -0.361 0.000 1.424 87 I CA -0.135 61.062 61.300 -0.172 0.000 1.127 87 I CB 0.170 38.082 38.000 -0.147 0.000 1.128 87 I HN 0.232 nan 8.210 nan 0.000 0.417 88 G N 2.059 110.454 108.800 -0.676 0.000 2.246 88 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.273 88 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.273 88 G C 0.218 174.512 174.900 -1.010 0.000 1.055 88 G CA 0.177 44.324 45.100 -1.588 0.000 0.851 88 G HN 0.967 nan 8.290 nan 0.000 0.500 89 A N 0.056 122.550 122.820 -0.543 0.000 2.303 89 A HA 0.880 5.200 4.320 -0.000 0.000 0.317 89 A C -0.326 177.205 177.584 -0.089 0.000 1.149 89 A CA -1.037 50.839 52.037 -0.268 0.000 0.822 89 A CB 1.290 20.143 19.000 -0.245 0.000 1.131 89 A HN 0.098 nan 8.150 nan 0.000 0.493 90 P HA 0.043 nan 4.420 nan 0.000 0.227 90 P C 0.015 177.330 177.300 0.025 0.000 1.161 90 P CA 1.005 64.159 63.100 0.090 0.000 0.788 90 P CB 0.453 32.185 31.700 0.052 0.000 0.822 91 D N -2.661 117.671 120.400 -0.114 0.000 2.992 91 D HA 0.151 4.791 4.640 -0.000 0.000 0.349 91 D C -0.588 175.550 176.300 -0.270 0.000 1.393 91 D CA -0.487 53.405 54.000 -0.179 0.000 0.887 91 D CB 0.703 41.482 40.800 -0.036 0.000 1.447 91 D HN -0.343 nan 8.370 nan 0.000 0.524 92 M N 1.016 120.464 119.600 -0.254 0.000 2.202 92 M HA 0.288 4.768 4.480 -0.000 0.000 0.316 92 M C 1.282 177.392 176.300 -0.316 0.000 1.138 92 M CA 0.102 55.223 55.300 -0.299 0.000 1.151 92 M CB 0.339 32.763 32.600 -0.293 0.000 1.422 92 M HN 0.605 nan 8.290 nan 0.000 0.471 93 A N 1.411 123.939 122.820 -0.487 0.000 1.933 93 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 93 A C 0.443 177.588 177.584 -0.732 0.000 1.175 93 A CA 1.516 53.106 52.037 -0.744 0.000 0.628 93 A CB -0.268 17.972 19.000 -1.267 0.000 0.814 93 A HN 0.578 nan 8.150 nan 0.000 0.444 94 F N -1.117 118.773 119.950 -0.101 0.000 2.550 94 F HA 0.367 4.894 4.527 -0.000 0.000 0.348 94 F C -2.166 173.590 175.800 -0.072 0.000 1.219 94 F CA -2.862 55.093 58.000 -0.075 0.000 1.203 94 F CB 1.078 40.036 39.000 -0.070 0.000 1.436 94 F HN 0.020 nan 8.300 nan 0.000 0.541 95 P HA -0.092 nan 4.420 nan 0.000 0.222 95 P C 1.837 179.163 177.300 0.043 0.000 1.153 95 P CA 1.027 64.134 63.100 0.011 0.000 0.798 95 P CB 0.371 32.066 31.700 -0.008 0.000 0.796 96 R N -0.332 120.207 120.500 0.065 0.000 2.062 96 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 96 R C 2.311 178.653 176.300 0.070 0.000 1.125 96 R CA 1.030 57.165 56.100 0.059 0.000 0.966 96 R CB -0.779 29.541 30.300 0.034 0.000 0.861 96 R HN 0.035 nan 8.270 nan 0.000 0.433 97 M N 1.161 120.806 119.600 0.076 0.000 2.149 97 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 97 M C 1.739 178.090 176.300 0.085 0.000 1.064 97 M CA 1.948 57.286 55.300 0.063 0.000 1.102 97 M CB -0.277 32.350 32.600 0.046 0.000 1.369 97 M HN 0.161 nan 8.290 nan 0.000 0.408 98 N N 1.003 119.754 118.700 0.084 0.000 2.060 98 N HA -0.249 4.491 4.740 -0.000 0.000 0.195 98 N C 1.334 176.922 175.510 0.129 0.000 1.028 98 N CA 2.023 55.115 53.050 0.070 0.000 0.861 98 N CB -0.521 37.967 38.487 0.002 0.000 1.029 98 N HN 0.408 nan 8.380 nan 0.000 0.428 99 N N -0.101 118.681 118.700 0.136 0.000 2.205 99 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 99 N C 1.676 177.358 175.510 0.286 0.000 1.015 99 N CA 0.910 54.093 53.050 0.221 0.000 0.862 99 N CB -0.222 38.417 38.487 0.253 0.000 0.986 99 N HN 0.423 nan 8.380 nan 0.000 0.429 100 M N -0.827 118.893 119.600 0.199 0.000 2.254 100 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 100 M C 1.756 178.123 176.300 0.111 0.000 1.066 100 M CA 0.908 56.312 55.300 0.173 0.000 1.123 100 M CB 0.031 32.691 32.600 0.101 0.000 1.388 100 M HN 0.021 nan 8.290 nan 0.000 0.425 101 S N 0.543 116.313 115.700 0.117 0.000 2.370 101 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 101 S C 1.487 176.110 174.600 0.038 0.000 1.033 101 S CA 1.590 59.866 58.200 0.127 0.000 1.011 101 S CB -0.575 62.753 63.200 0.214 0.000 0.852 101 S HN 0.620 nan 8.310 nan 0.000 0.457 102 F N 0.796 120.632 119.950 -0.191 0.000 2.075 102 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 102 F C 1.764 177.200 175.800 -0.606 0.000 1.113 102 F CA 1.233 58.809 58.000 -0.706 0.000 1.218 102 F CB -0.669 37.741 39.000 -0.983 0.000 0.984 102 F HN 0.244 nan 8.300 nan 0.000 0.472 103 W N 0.363 121.394 121.300 -0.448 0.000 2.465 103 W HA -0.042 4.618 4.660 -0.000 0.000 0.268 103 W C 2.168 178.470 176.519 -0.361 0.000 1.242 103 W CA 0.465 57.550 57.345 -0.433 0.000 1.248 103 W CB -0.357 29.040 29.460 -0.106 0.000 1.118 103 W HN 0.029 nan 8.180 nan 0.000 0.587 104 L N -0.182 120.973 121.223 -0.115 0.000 2.191 104 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 104 L C 2.067 178.848 176.870 -0.149 0.000 1.103 104 L CA 0.949 55.744 54.840 -0.074 0.000 0.769 104 L CB -0.558 41.489 42.059 -0.020 0.000 0.908 104 L HN 0.088 nan 8.230 nan 0.000 0.438 105 L N -0.710 120.264 121.223 -0.415 0.000 2.072 105 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 105 L C -0.225 176.500 176.870 -0.242 0.000 1.079 105 L CA 0.975 55.570 54.840 -0.409 0.000 0.752 105 L CB -1.851 39.671 42.059 -0.896 0.000 0.906 105 L HN 0.182 nan 8.230 nan 0.000 0.436 106 P HA -0.105 nan 4.420 nan 0.000 0.215 106 P C -1.385 175.980 177.300 0.109 0.000 1.157 106 P CA 1.488 64.653 63.100 0.109 0.000 0.868 106 P CB -1.123 30.634 31.700 0.095 0.000 0.788 107 P HA -0.149 nan 4.420 nan 0.000 0.215 107 P C 1.891 179.242 177.300 0.086 0.000 1.153 107 P CA 1.693 64.829 63.100 0.060 0.000 0.853 107 P CB -0.513 31.213 31.700 0.042 0.000 0.788 108 S N -1.434 114.328 115.700 0.103 0.000 2.365 108 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 108 S C 1.799 176.499 174.600 0.167 0.000 1.039 108 S CA 1.101 59.407 58.200 0.176 0.000 1.033 108 S CB -1.110 62.259 63.200 0.282 0.000 0.887 108 S HN 0.090 nan 8.310 nan 0.000 0.447 109 F N 0.676 120.501 119.950 -0.208 0.000 2.234 109 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 109 F C 2.041 177.744 175.800 -0.162 0.000 1.087 109 F CA 0.689 58.389 58.000 -0.500 0.000 1.340 109 F CB -0.071 38.675 39.000 -0.423 0.000 1.031 109 F HN 0.298 nan 8.300 nan 0.000 0.500 110 L N 0.967 122.237 121.223 0.077 0.000 2.012 110 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 110 L C 1.985 178.883 176.870 0.046 0.000 1.073 110 L CA 1.771 56.610 54.840 -0.001 0.000 0.748 110 L CB -0.834 41.228 42.059 0.005 0.000 0.891 110 L HN 0.129 nan 8.230 nan 0.000 0.431 111 L N -1.269 120.006 121.223 0.087 0.000 2.083 111 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 111 L C 2.508 179.446 176.870 0.114 0.000 1.083 111 L CA 1.312 56.213 54.840 0.101 0.000 0.752 111 L CB -0.653 41.481 42.059 0.126 0.000 0.899 111 L HN 0.380 nan 8.230 nan 0.000 0.433 112 L N -0.298 121.018 121.223 0.156 0.000 2.017 112 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 112 L C 2.397 179.370 176.870 0.173 0.000 1.073 112 L CA 1.582 56.541 54.840 0.198 0.000 0.745 112 L CB -0.207 42.062 42.059 0.349 0.000 0.894 112 L HN 0.091 nan 8.230 nan 0.000 0.432 113 L N -0.381 120.912 121.223 0.117 0.000 2.046 113 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 113 L C 2.774 179.676 176.870 0.054 0.000 1.077 113 L CA 1.138 56.008 54.840 0.050 0.000 0.747 113 L CB -0.938 41.071 42.059 -0.083 0.000 0.896 113 L HN 0.417 nan 8.230 nan 0.000 0.432 114 A N 0.283 123.133 122.820 0.051 0.000 1.940 114 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 114 A C 2.529 180.156 177.584 0.071 0.000 1.176 114 A CA 2.043 54.113 52.037 0.054 0.000 0.631 114 A CB -0.777 18.254 19.000 0.053 0.000 0.814 114 A HN 0.549 nan 8.150 nan 0.000 0.446 115 S N 0.545 116.298 115.700 0.088 0.000 2.402 115 S HA -0.201 4.269 4.470 -0.000 0.000 0.233 115 S C 1.932 176.590 174.600 0.097 0.000 1.030 115 S CA 1.994 60.249 58.200 0.092 0.000 1.003 115 S CB -0.861 62.396 63.200 0.095 0.000 0.813 115 S HN 1.019 nan 8.310 nan 0.000 0.477 116 S N 0.210 115.969 115.700 0.099 0.000 2.524 116 S HA 0.263 4.733 4.470 -0.000 0.000 0.216 116 S C 1.749 176.393 174.600 0.075 0.000 0.987 116 S CA 0.062 58.321 58.200 0.097 0.000 0.909 116 S CB -0.264 63.000 63.200 0.107 0.000 0.781 116 S HN 0.318 nan 8.310 nan 0.000 0.521 117 M N 2.200 121.838 119.600 0.063 0.000 2.287 117 M HA 0.247 4.727 4.480 -0.000 0.000 0.266 117 M C 1.211 177.540 176.300 0.049 0.000 1.079 117 M CA 0.547 55.877 55.300 0.049 0.000 1.146 117 M CB -0.993 31.631 32.600 0.040 0.000 1.374 117 M HN 0.430 nan 8.290 nan 0.000 0.435 118 V N -1.034 118.913 119.914 0.055 0.000 2.997 118 V HA 0.359 4.479 4.120 -0.000 0.000 0.311 118 V C 0.895 177.022 176.094 0.054 0.000 1.066 118 V CA -0.985 61.346 62.300 0.051 0.000 1.039 118 V CB 1.194 33.049 31.823 0.053 0.000 1.081 118 V HN 0.538 nan 8.190 nan 0.000 0.467 119 E N 2.023 122.250 120.200 0.045 0.000 3.521 119 E HA -0.355 3.995 4.350 -0.000 0.000 0.371 119 E C 0.985 177.610 176.600 0.042 0.000 1.564 119 E CA 2.190 58.614 56.400 0.040 0.000 1.834 119 E CB -1.614 28.112 29.700 0.044 0.000 1.742 119 E HN 1.541 nan 8.360 nan 0.000 0.445 120 A N 1.517 124.362 122.820 0.042 0.000 2.500 120 A HA 0.502 4.822 4.320 -0.000 0.000 0.267 120 A C 0.898 178.532 177.584 0.083 0.000 1.290 120 A CA 1.385 53.450 52.037 0.046 0.000 0.928 120 A CB -0.184 18.825 19.000 0.015 0.000 1.066 120 A HN 1.289 nan 8.150 nan 0.000 0.516 121 G N -1.004 107.858 108.800 0.103 0.000 2.855 121 G HA2 0.291 4.251 3.960 -0.000 0.000 0.352 121 G HA3 0.291 4.251 3.960 -0.000 0.000 0.352 121 G C 0.096 175.115 174.900 0.199 0.000 1.415 121 G CA -0.303 44.876 45.100 0.132 0.000 0.871 121 G HN 1.752 nan 8.290 nan 0.000 0.543 122 A N 0.169 123.095 122.820 0.177 0.000 2.294 122 A HA 0.740 5.060 4.320 -0.000 0.000 0.316 122 A C 0.870 178.534 177.584 0.133 0.000 1.359 122 A CA 0.798 52.916 52.037 0.136 0.000 0.956 122 A CB 0.547 19.590 19.000 0.071 0.000 1.155 122 A HN 2.329 nan 8.150 nan 0.000 0.544 123 G N 1.563 110.514 108.800 0.253 0.000 4.699 123 G HA2 0.370 4.330 3.960 -0.000 0.000 0.308 123 G HA3 0.370 4.330 3.960 -0.000 0.000 0.308 123 G C 0.655 175.615 174.900 0.100 0.000 1.399 123 G CA 0.509 45.732 45.100 0.206 0.000 1.221 123 G HN 0.820 nan 8.290 nan 0.000 0.596 124 T N -3.030 111.490 114.554 -0.057 0.000 2.985 124 T HA 0.486 4.836 4.350 -0.000 0.000 0.254 124 T C 1.254 175.879 174.700 -0.125 0.000 1.021 124 T CA 0.615 62.620 62.100 -0.158 0.000 0.957 124 T CB 0.643 69.341 68.868 -0.282 0.000 1.047 124 T HN 1.553 nan 8.240 nan 0.000 0.511 125 G N 1.724 110.478 108.800 -0.077 0.000 2.787 125 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.685 125 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.685 125 G C 0.327 175.125 174.900 -0.171 0.000 1.437 125 G CA -0.170 44.871 45.100 -0.098 0.000 0.872 125 G HN 0.681 nan 8.290 nan 0.000 0.566 126 W N 0.365 121.400 121.300 -0.442 0.000 2.699 126 W HA -0.007 4.653 4.660 -0.000 0.000 0.249 126 W C 1.617 177.936 176.519 -0.333 0.000 1.280 126 W CA 1.937 58.872 57.345 -0.683 0.000 1.345 126 W CB -1.437 27.531 29.460 -0.819 0.000 1.128 126 W HN 1.021 nan 8.180 nan 0.000 0.642 127 T N -0.824 113.141 114.554 -0.983 0.000 3.023 127 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 127 T C 1.260 175.434 174.700 -0.877 0.000 1.093 127 T CA 1.027 62.243 62.100 -1.474 0.000 1.129 127 T CB -0.823 67.153 68.868 -1.487 0.000 0.899 127 T HN 0.182 nan 8.240 nan 0.000 0.491 128 V N 0.318 119.946 119.914 -0.476 0.000 5.117 128 V HA -0.223 3.897 4.120 -0.000 0.000 0.285 128 V C 0.167 176.007 176.094 -0.423 0.000 0.490 128 V CA 0.359 62.469 62.300 -0.317 0.000 0.728 128 V CB -3.036 28.693 31.823 -0.156 0.000 0.597 128 V HN 0.726 nan 8.190 nan 0.000 1.265 129 Y N 2.048 122.041 120.300 -0.512 0.000 2.544 129 Y HA 0.250 4.800 4.550 -0.000 0.000 0.330 129 Y C -0.828 174.766 175.900 -0.509 0.000 1.136 129 Y CA -1.810 55.954 58.100 -0.561 0.000 1.417 129 Y CB 0.986 39.297 38.460 -0.249 0.000 1.229 129 Y HN 0.264 nan 8.280 nan 0.000 0.532 130 P HA 0.119 nan 4.420 nan 0.000 0.276 130 P C -2.400 174.849 177.300 -0.085 0.000 1.252 130 P CA -1.755 61.201 63.100 -0.241 0.000 0.802 130 P CB 1.013 32.572 31.700 -0.234 0.000 1.035 131 P HA 0.007 nan 4.420 nan 0.000 0.233 131 P C 1.573 178.892 177.300 0.033 0.000 1.167 131 P CA 0.165 63.279 63.100 0.023 0.000 0.770 131 P CB -0.140 31.590 31.700 0.050 0.000 0.837 132 L N 0.512 121.757 121.223 0.037 0.000 2.043 132 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 132 L C 1.984 178.905 176.870 0.085 0.000 1.075 132 L CA 2.176 57.069 54.840 0.088 0.000 0.752 132 L CB -1.277 40.825 42.059 0.071 0.000 0.891 132 L HN -0.051 nan 8.230 nan 0.000 0.432 133 A N -1.001 121.772 122.820 -0.078 0.000 2.238 133 A HA 0.394 4.714 4.320 -0.000 0.000 0.208 133 A C 1.398 178.948 177.584 -0.057 0.000 1.177 133 A CA 0.400 52.333 52.037 -0.173 0.000 0.804 133 A CB -1.235 17.599 19.000 -0.276 0.000 0.823 133 A HN 0.491 nan 8.150 nan 0.000 0.482 134 G N 0.063 108.867 108.800 0.007 0.000 2.553 134 G HA2 0.258 4.218 3.960 -0.000 0.000 0.278 134 G HA3 0.258 4.218 3.960 -0.000 0.000 0.278 134 G C 0.614 175.556 174.900 0.070 0.000 1.349 134 G CA 0.193 45.315 45.100 0.037 0.000 1.037 134 G HN 0.454 nan 8.290 nan 0.000 0.508 135 N N -1.147 117.589 118.700 0.059 0.000 2.463 135 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 135 N C 1.595 177.135 175.510 0.050 0.000 1.078 135 N CA 0.287 53.371 53.050 0.056 0.000 0.902 135 N CB -0.030 38.484 38.487 0.045 0.000 0.970 135 N HN 0.277 nan 8.380 nan 0.000 0.451 136 L N 0.603 121.855 121.223 0.048 0.000 2.062 136 L HA 0.369 4.709 4.340 -0.000 0.000 0.202 136 L C 2.174 179.063 176.870 0.032 0.000 1.079 136 L CA 1.482 56.343 54.840 0.036 0.000 0.755 136 L CB -1.260 40.820 42.059 0.035 0.000 0.913 136 L HN 0.194 nan 8.230 nan 0.000 0.445 137 A N -2.156 120.697 122.820 0.054 0.000 2.119 137 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 137 A C 0.300 177.886 177.584 0.005 0.000 1.153 137 A CA 0.982 53.049 52.037 0.050 0.000 0.692 137 A CB -0.726 18.339 19.000 0.109 0.000 0.799 137 A HN 0.663 nan 8.150 nan 0.000 0.458 138 H N -1.303 117.774 119.070 0.011 0.000 2.597 138 H HA 0.516 5.072 4.556 -0.000 0.000 0.225 138 H C 0.051 175.387 175.328 0.012 0.000 1.422 138 H CA -0.161 55.894 56.048 0.012 0.000 1.335 138 H CB 0.379 30.144 29.762 0.005 0.000 1.783 138 H HN 0.402 nan 8.280 nan 0.000 0.513 139 A N 1.160 124.006 122.820 0.043 0.000 2.483 139 A HA 0.553 4.873 4.320 -0.000 0.000 0.238 139 A C 1.124 178.736 177.584 0.046 0.000 1.070 139 A CA 0.910 52.971 52.037 0.040 0.000 0.770 139 A CB -0.246 18.764 19.000 0.016 0.000 1.008 139 A HN 0.939 nan 8.150 nan 0.000 0.497 140 G N -0.387 108.443 108.800 0.050 0.000 2.631 140 G HA2 0.331 4.291 3.960 -0.000 0.000 0.504 140 G HA3 0.331 4.291 3.960 -0.000 0.000 0.504 140 G C 0.673 175.611 174.900 0.064 0.000 1.306 140 G CA 0.146 45.277 45.100 0.052 0.000 0.897 140 G HN 2.021 nan 8.290 nan 0.000 0.520 141 A N -0.535 122.324 122.820 0.065 0.000 2.169 141 A HA 0.423 4.743 4.320 -0.000 0.000 0.212 141 A C 2.574 180.202 177.584 0.072 0.000 1.153 141 A CA 2.210 54.290 52.037 0.073 0.000 0.756 141 A CB -0.450 18.599 19.000 0.080 0.000 0.813 141 A HN 1.441 nan 8.150 nan 0.000 0.471 142 S N -0.287 115.463 115.700 0.083 0.000 2.359 142 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 142 S C 1.888 176.519 174.600 0.051 0.000 1.035 142 S CA 1.683 59.935 58.200 0.088 0.000 1.018 142 S CB -0.345 62.932 63.200 0.129 0.000 0.876 142 S HN 0.382 nan 8.310 nan 0.000 0.448 143 V N 2.399 122.334 119.914 0.035 0.000 2.427 143 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 143 V C 1.961 177.992 176.094 -0.106 0.000 1.051 143 V CA 1.615 63.888 62.300 -0.046 0.000 1.048 143 V CB -0.654 31.125 31.823 -0.073 0.000 0.666 143 V HN 0.419 nan 8.190 nan 0.000 0.456 144 D N 0.164 120.513 120.400 -0.085 0.000 2.144 144 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 144 D C 2.117 178.319 176.300 -0.163 0.000 0.984 144 D CA 1.158 55.042 54.000 -0.193 0.000 0.834 144 D CB -0.115 40.644 40.800 -0.069 0.000 0.955 144 D HN 0.356 nan 8.370 nan 0.000 0.465 145 L N 0.625 121.864 121.223 0.026 0.000 2.141 145 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 145 L C 2.510 179.389 176.870 0.015 0.000 1.094 145 L CA 0.929 55.836 54.840 0.111 0.000 0.763 145 L CB -0.435 41.692 42.059 0.114 0.000 0.908 145 L HN -0.007 nan 8.230 nan 0.000 0.437 146 T N 0.114 114.625 114.554 -0.072 0.000 2.737 146 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 146 T C 1.931 176.454 174.700 -0.295 0.000 1.038 146 T CA 1.278 63.278 62.100 -0.167 0.000 1.144 146 T CB -0.155 68.627 68.868 -0.144 0.000 0.866 146 T HN 0.161 nan 8.240 nan 0.000 0.434 147 I N 0.399 120.760 120.570 -0.348 0.000 2.127 147 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 147 I C 2.046 177.880 176.117 -0.472 0.000 1.075 147 I CA 1.531 62.534 61.300 -0.496 0.000 1.334 147 I CB -0.409 37.238 38.000 -0.589 0.000 1.040 147 I HN 0.167 nan 8.210 nan 0.000 0.405 148 F N 0.305 120.168 119.950 -0.144 0.000 2.216 148 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 148 F C 2.918 178.695 175.800 -0.038 0.000 1.085 148 F CA 1.487 59.473 58.000 -0.025 0.000 1.326 148 F CB -1.177 37.848 39.000 0.041 0.000 1.027 148 F HN 0.042 nan 8.300 nan 0.000 0.497 149 S N 0.127 115.872 115.700 0.075 0.000 2.368 149 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 149 S C 2.092 176.648 174.600 -0.073 0.000 1.030 149 S CA 1.150 59.379 58.200 0.049 0.000 0.999 149 S CB -0.359 62.858 63.200 0.028 0.000 0.844 149 S HN 0.365 nan 8.310 nan 0.000 0.459 150 L N 0.016 121.071 121.223 -0.280 0.000 2.131 150 L HA 0.020 4.360 4.340 -0.000 0.000 0.206 150 L C 2.401 179.146 176.870 -0.209 0.000 1.087 150 L CA 1.269 55.850 54.840 -0.432 0.000 0.767 150 L CB -0.635 41.063 42.059 -0.601 0.000 0.917 150 L HN 0.441 nan 8.230 nan 0.000 0.441 151 H N -0.181 118.829 119.070 -0.101 0.000 2.319 151 H HA -0.195 4.361 4.556 -0.000 0.000 0.297 151 H C 2.314 177.636 175.328 -0.010 0.000 1.097 151 H CA 1.392 57.423 56.048 -0.030 0.000 1.285 151 H CB 0.076 29.887 29.762 0.081 0.000 1.368 151 H HN 0.218 nan 8.280 nan 0.000 0.495 152 L N -0.142 121.170 121.223 0.147 0.000 2.056 152 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 152 L C 2.887 179.803 176.870 0.077 0.000 1.078 152 L CA 0.734 55.635 54.840 0.100 0.000 0.749 152 L CB -0.552 41.566 42.059 0.099 0.000 0.901 152 L HN 0.335 nan 8.230 nan 0.000 0.433 153 A N 0.639 123.496 122.820 0.061 0.000 1.933 153 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 153 A C 2.409 180.040 177.584 0.079 0.000 1.175 153 A CA 1.716 53.797 52.037 0.074 0.000 0.628 153 A CB -1.173 17.822 19.000 -0.008 0.000 0.814 153 A HN 0.439 nan 8.150 nan 0.000 0.444 154 G N -0.612 108.206 108.800 0.030 0.000 2.418 154 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 154 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 154 G C 1.499 176.437 174.900 0.063 0.000 1.158 154 G CA 1.272 46.398 45.100 0.044 0.000 0.771 154 G HN 0.325 nan 8.290 nan 0.000 0.545 155 V N 0.755 120.704 119.914 0.058 0.000 2.358 155 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 155 V C 3.024 179.157 176.094 0.065 0.000 1.047 155 V CA 2.092 64.421 62.300 0.048 0.000 1.035 155 V CB -0.260 31.582 31.823 0.031 0.000 0.658 155 V HN 0.503 nan 8.190 nan 0.000 0.452 156 S N -0.249 115.496 115.700 0.076 0.000 2.374 156 S HA -0.243 4.226 4.470 -0.000 0.000 0.227 156 S C 2.198 176.878 174.600 0.132 0.000 1.037 156 S CA 2.409 60.666 58.200 0.096 0.000 1.024 156 S CB -0.286 62.968 63.200 0.090 0.000 0.861 156 S HN 0.584 nan 8.310 nan 0.000 0.456 157 S N 0.508 116.291 115.700 0.137 0.000 2.395 157 S HA 0.182 4.652 4.470 -0.000 0.000 0.225 157 S C 1.717 176.401 174.600 0.139 0.000 1.027 157 S CA 0.922 59.214 58.200 0.153 0.000 0.965 157 S CB -0.315 62.980 63.200 0.158 0.000 0.812 157 S HN 0.517 nan 8.310 nan 0.000 0.482 158 I N 1.418 122.055 120.570 0.112 0.000 2.252 158 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 158 I C 1.818 177.990 176.117 0.092 0.000 1.102 158 I CA 1.075 62.433 61.300 0.097 0.000 1.385 158 I CB -0.217 37.825 38.000 0.070 0.000 1.064 158 I HN 0.228 nan 8.210 nan 0.000 0.414 159 L N -0.059 121.213 121.223 0.081 0.000 2.217 159 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 159 L C 2.544 179.470 176.870 0.093 0.000 1.107 159 L CA 1.141 56.022 54.840 0.069 0.000 0.783 159 L CB -0.979 41.109 42.059 0.050 0.000 0.919 159 L HN 0.314 nan 8.230 nan 0.000 0.442 160 G N -0.349 108.526 108.800 0.125 0.000 2.403 160 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 160 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 160 G C 1.780 176.813 174.900 0.223 0.000 1.154 160 G CA 0.703 45.889 45.100 0.144 0.000 0.784 160 G HN 0.428 nan 8.290 nan 0.000 0.538 161 A N 0.704 123.655 122.820 0.219 0.000 1.930 161 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 161 A C 2.354 180.048 177.584 0.184 0.000 1.175 161 A CA 0.959 53.135 52.037 0.231 0.000 0.627 161 A CB -0.288 18.808 19.000 0.160 0.000 0.815 161 A HN 0.355 nan 8.150 nan 0.000 0.443 162 I N -0.200 120.455 120.570 0.142 0.000 2.226 162 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 162 I C 2.470 178.695 176.117 0.179 0.000 1.100 162 I CA 1.231 62.618 61.300 0.145 0.000 1.374 162 I CB -0.387 37.683 38.000 0.118 0.000 1.057 162 I HN 0.342 nan 8.210 nan 0.000 0.413 163 N N 1.185 119.970 118.700 0.141 0.000 2.043 163 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 163 N C 1.899 177.306 175.510 -0.173 0.000 1.037 163 N CA 1.807 54.861 53.050 0.006 0.000 0.851 163 N CB -0.362 38.050 38.487 -0.125 0.000 1.027 163 N HN 0.218 nan 8.380 nan 0.000 0.422 164 F N 0.829 120.766 119.950 -0.021 0.000 2.134 164 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 164 F C 2.333 178.079 175.800 -0.090 0.000 1.097 164 F CA 0.695 58.649 58.000 -0.076 0.000 1.264 164 F CB -0.174 38.783 39.000 -0.072 0.000 1.001 164 F HN 0.032 nan 8.300 nan 0.000 0.479 165 I N -0.723 119.925 120.570 0.129 0.000 2.252 165 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 165 I C 2.270 178.378 176.117 -0.015 0.000 1.102 165 I CA 1.422 62.751 61.300 0.047 0.000 1.385 165 I CB -0.749 37.286 38.000 0.059 0.000 1.064 165 I HN 0.077 nan 8.210 nan 0.000 0.414 166 T N 0.017 114.561 114.554 -0.017 0.000 2.746 166 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 166 T C 1.919 176.513 174.700 -0.177 0.000 1.039 166 T CA 2.059 64.109 62.100 -0.083 0.000 1.142 166 T CB -0.412 68.406 68.868 -0.083 0.000 0.866 166 T HN 0.369 nan 8.240 nan 0.000 0.444 167 T N 2.198 116.622 114.554 -0.217 0.000 2.674 167 T HA -0.004 4.346 4.350 -0.000 0.000 0.265 167 T C 2.000 176.600 174.700 -0.168 0.000 1.039 167 T CA 1.070 63.034 62.100 -0.227 0.000 1.150 167 T CB -0.465 68.260 68.868 -0.239 0.000 0.864 167 T HN 0.308 nan 8.240 nan 0.000 0.427 168 I N 0.584 121.077 120.570 -0.128 0.000 2.286 168 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 168 I C 2.013 178.014 176.117 -0.195 0.000 1.115 168 I CA 0.862 62.064 61.300 -0.162 0.000 1.392 168 I CB -0.262 37.636 38.000 -0.169 0.000 1.065 168 I HN 0.188 nan 8.210 nan 0.000 0.418 169 I N 0.256 120.728 120.570 -0.163 0.000 2.500 169 I HA -0.159 4.011 4.170 -0.000 0.000 0.252 169 I C 2.036 178.074 176.117 -0.131 0.000 1.142 169 I CA 1.442 62.652 61.300 -0.151 0.000 1.451 169 I CB -1.313 36.625 38.000 -0.103 0.000 1.093 169 I HN 0.278 nan 8.210 nan 0.000 0.430 170 N N 0.192 118.813 118.700 -0.133 0.000 2.368 170 N HA 0.095 4.835 4.740 -0.000 0.000 0.178 170 N C 1.079 176.509 175.510 -0.133 0.000 1.076 170 N CA 0.484 53.461 53.050 -0.121 0.000 0.889 170 N CB 0.286 38.697 38.487 -0.126 0.000 1.040 170 N HN 0.139 nan 8.380 nan 0.000 0.463 171 M N 0.060 119.566 119.600 -0.156 0.000 2.685 171 M HA 0.248 4.728 4.480 -0.000 0.000 0.355 171 M C -0.435 175.767 176.300 -0.164 0.000 1.197 171 M CA -0.231 54.973 55.300 -0.160 0.000 0.947 171 M CB 0.840 33.330 32.600 -0.185 0.000 1.346 171 M HN -0.182 nan 8.290 nan 0.000 0.516 172 K N 1.420 121.729 120.400 -0.152 0.000 2.126 172 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 172 K C -2.358 174.164 176.600 -0.130 0.000 1.007 172 K CA -1.606 54.593 56.287 -0.148 0.000 0.928 172 K CB 0.165 32.584 32.500 -0.135 0.000 1.013 172 K HN -0.114 nan 8.250 nan 0.000 0.473 173 P HA -0.028 nan 4.420 nan 0.000 0.264 173 P C -2.071 175.174 177.300 -0.092 0.000 1.183 173 P CA -0.835 62.202 63.100 -0.106 0.000 0.763 173 P CB 0.118 31.759 31.700 -0.098 0.000 0.807 174 P HA -0.202 nan 4.420 nan 0.000 0.218 174 P C 0.963 178.221 177.300 -0.070 0.000 1.146 174 P CA 1.576 64.631 63.100 -0.075 0.000 0.813 174 P CB -0.252 31.405 31.700 -0.072 0.000 0.778 175 A N -1.311 121.461 122.820 -0.080 0.000 2.169 175 A HA 0.062 4.382 4.320 -0.000 0.000 0.212 175 A C 1.302 178.861 177.584 -0.042 0.000 1.153 175 A CA 0.075 52.074 52.037 -0.064 0.000 0.756 175 A CB -0.899 18.050 19.000 -0.085 0.000 0.813 175 A HN 0.230 nan 8.150 nan 0.000 0.471 176 M N 1.614 121.186 119.600 -0.047 0.000 2.144 176 M HA 0.391 4.871 4.480 -0.000 0.000 0.356 176 M C 0.230 176.512 176.300 -0.030 0.000 1.217 176 M CA -0.298 54.984 55.300 -0.031 0.000 1.087 176 M CB 0.995 33.569 32.600 -0.044 0.000 1.609 176 M HN 0.318 nan 8.290 nan 0.000 0.467 177 S N 3.161 118.864 115.700 0.005 0.000 2.693 177 S HA 0.208 4.678 4.470 -0.000 0.000 0.276 177 S C 0.639 175.203 174.600 -0.060 0.000 1.192 177 S CA -0.508 57.689 58.200 -0.005 0.000 0.994 177 S CB 1.498 64.756 63.200 0.097 0.000 1.012 177 S HN 0.865 nan 8.310 nan 0.000 0.550 178 Q N -0.181 119.496 119.800 -0.205 0.000 2.248 178 Q HA -0.057 4.283 4.340 -0.000 0.000 0.208 178 Q C 0.527 176.513 176.000 -0.022 0.000 0.984 178 Q CA 1.806 57.410 55.803 -0.333 0.000 0.875 178 Q CB -0.620 27.791 28.738 -0.545 0.000 0.910 178 Q HN 0.856 nan 8.270 nan 0.000 0.433 179 Y N -0.686 119.861 120.300 0.411 0.000 2.462 179 Y HA 0.162 4.712 4.550 -0.000 0.000 0.293 179 Y C 0.593 176.686 175.900 0.322 0.000 1.195 179 Y CA 0.226 58.660 58.100 0.556 0.000 1.276 179 Y CB 0.188 38.874 38.460 0.377 0.000 1.082 179 Y HN 0.143 nan 8.280 nan 0.000 0.514 180 Q N -0.219 119.751 119.800 0.283 0.000 2.135 180 Q HA 0.145 4.485 4.340 -0.000 0.000 0.231 180 Q C 0.174 176.262 176.000 0.146 0.000 0.817 180 Q CA -0.200 55.675 55.803 0.121 0.000 1.073 180 Q CB 0.773 29.546 28.738 0.057 0.000 1.176 180 Q HN 0.260 nan 8.270 nan 0.000 0.478 181 T N -2.169 112.543 114.554 0.262 0.000 2.929 181 T HA 0.561 4.911 4.350 -0.000 0.000 0.284 181 T C -2.627 172.328 174.700 0.426 0.000 1.014 181 T CA -2.348 59.862 62.100 0.183 0.000 1.051 181 T CB 1.598 70.425 68.868 -0.070 0.000 1.028 181 T HN -0.228 nan 8.240 nan 0.000 0.485 182 P HA 0.218 nan 4.420 nan 0.000 0.270 182 P C 1.058 178.754 177.300 0.660 0.000 1.223 182 P CA -0.549 62.876 63.100 0.542 0.000 0.785 182 P CB 0.464 32.526 31.700 0.604 0.000 0.923 183 L N 0.551 122.169 121.223 0.659 0.000 2.127 183 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 183 L C 2.121 179.350 176.870 0.598 0.000 1.089 183 L CA 1.418 56.599 54.840 0.570 0.000 0.757 183 L CB -0.589 41.714 42.059 0.406 0.000 0.899 183 L HN 0.391 nan 8.230 nan 0.000 0.434 184 F N 0.327 120.646 119.950 0.614 0.000 2.134 184 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 184 F C 2.228 178.110 175.800 0.137 0.000 1.097 184 F CA 1.405 59.540 58.000 0.225 0.000 1.264 184 F CB -0.401 38.483 39.000 -0.193 0.000 1.001 184 F HN -0.244 nan 8.300 nan 0.000 0.479 185 V N -0.600 119.340 119.914 0.044 0.000 2.287 185 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 185 V C 2.189 178.187 176.094 -0.161 0.000 1.053 185 V CA 2.195 64.407 62.300 -0.147 0.000 1.027 185 V CB -1.267 30.521 31.823 -0.059 0.000 0.646 185 V HN 0.509 nan 8.190 nan 0.000 0.447 186 W N 0.906 122.190 121.300 -0.027 0.000 2.318 186 W HA -0.282 4.378 4.660 -0.000 0.000 0.313 186 W C 3.064 179.534 176.519 -0.082 0.000 1.221 186 W CA 2.178 59.503 57.345 -0.034 0.000 1.266 186 W CB -0.571 28.891 29.460 0.003 0.000 1.150 186 W HN 0.392 nan 8.180 nan 0.000 0.496 187 S N -0.571 115.214 115.700 0.142 0.000 2.383 187 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 187 S C 1.686 176.195 174.600 -0.152 0.000 1.026 187 S CA 1.521 59.748 58.200 0.045 0.000 0.981 187 S CB -0.902 62.359 63.200 0.102 0.000 0.818 187 S HN 0.062 nan 8.310 nan 0.000 0.472 188 V N 1.917 121.594 119.914 -0.395 0.000 2.453 188 V HA -0.035 4.085 4.120 -0.000 0.000 0.247 188 V C 2.593 178.507 176.094 -0.300 0.000 1.048 188 V CA 1.948 63.941 62.300 -0.512 0.000 1.049 188 V CB -0.688 30.630 31.823 -0.842 0.000 0.672 188 V HN 0.623 nan 8.190 nan 0.000 0.457 189 M N -0.355 119.132 119.600 -0.189 0.000 2.117 189 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 189 M C 2.054 178.359 176.300 0.008 0.000 1.065 189 M CA 2.069 57.318 55.300 -0.085 0.000 1.114 189 M CB -0.219 32.306 32.600 -0.124 0.000 1.361 189 M HN 0.247 nan 8.290 nan 0.000 0.408 190 I N -0.157 120.452 120.570 0.065 0.000 2.226 190 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 190 I C 2.166 178.324 176.117 0.067 0.000 1.100 190 I CA 1.611 62.978 61.300 0.112 0.000 1.374 190 I CB -0.703 37.392 38.000 0.158 0.000 1.057 190 I HN 0.332 nan 8.210 nan 0.000 0.413 191 T N 0.750 115.306 114.554 0.002 0.000 2.720 191 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 191 T C 2.052 176.757 174.700 0.008 0.000 1.037 191 T CA 1.531 63.618 62.100 -0.020 0.000 1.144 191 T CB -0.382 68.426 68.868 -0.100 0.000 0.864 191 T HN 0.490 nan 8.240 nan 0.000 0.444 192 A N 0.930 123.750 122.820 -0.000 0.000 1.933 192 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 192 A C 2.592 180.236 177.584 0.100 0.000 1.175 192 A CA 1.294 53.368 52.037 0.063 0.000 0.628 192 A CB -0.990 18.067 19.000 0.096 0.000 0.814 192 A HN 0.361 nan 8.150 nan 0.000 0.444 193 V N 0.396 120.372 119.914 0.102 0.000 2.287 193 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 193 V C 2.574 178.780 176.094 0.188 0.000 1.053 193 V CA 2.040 64.419 62.300 0.132 0.000 1.027 193 V CB -0.822 31.081 31.823 0.133 0.000 0.646 193 V HN 0.585 nan 8.190 nan 0.000 0.447 194 L N -0.916 120.427 121.223 0.201 0.000 2.046 194 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 194 L C 2.467 179.468 176.870 0.218 0.000 1.077 194 L CA 1.505 56.499 54.840 0.256 0.000 0.747 194 L CB -0.651 41.462 42.059 0.090 0.000 0.896 194 L HN 0.307 nan 8.230 nan 0.000 0.432 195 L N -0.501 120.811 121.223 0.148 0.000 2.012 195 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 195 L C 2.594 179.571 176.870 0.179 0.000 1.073 195 L CA 1.018 55.952 54.840 0.155 0.000 0.748 195 L CB -0.412 41.723 42.059 0.126 0.000 0.891 195 L HN 0.232 nan 8.230 nan 0.000 0.431 196 L N -0.660 120.659 121.223 0.160 0.000 2.083 196 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 196 L C 2.130 179.086 176.870 0.143 0.000 1.083 196 L CA 1.724 56.645 54.840 0.134 0.000 0.752 196 L CB -0.190 41.935 42.059 0.111 0.000 0.899 196 L HN 0.140 nan 8.230 nan 0.000 0.433 197 L N -1.613 119.727 121.223 0.196 0.000 2.249 197 L HA 0.007 4.348 4.340 -0.000 0.000 0.207 197 L C 2.430 179.491 176.870 0.319 0.000 1.090 197 L CA 0.977 55.935 54.840 0.196 0.000 0.802 197 L CB -0.416 41.701 42.059 0.096 0.000 0.947 197 L HN 0.443 nan 8.230 nan 0.000 0.453 198 S N -0.606 115.321 115.700 0.379 0.000 2.441 198 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 198 S C 1.887 176.706 174.600 0.365 0.000 1.043 198 S CA 0.059 58.501 58.200 0.404 0.000 0.948 198 S CB -0.292 63.062 63.200 0.258 0.000 0.810 198 S HN 0.260 nan 8.310 nan 0.000 0.504 199 L N 1.623 123.003 121.223 0.263 0.000 2.141 199 L HA 0.077 4.417 4.340 -0.000 0.000 0.209 199 L C -0.873 176.003 176.870 0.010 0.000 1.094 199 L CA 0.922 55.815 54.840 0.088 0.000 0.763 199 L CB -1.208 40.905 42.059 0.089 0.000 0.908 199 L HN 0.292 nan 8.230 nan 0.000 0.437 200 P HA -0.101 nan 4.420 nan 0.000 0.220 200 P C 1.784 179.085 177.300 0.002 0.000 1.148 200 P CA 0.907 64.020 63.100 0.023 0.000 0.803 200 P CB 0.116 31.835 31.700 0.033 0.000 0.782 201 V N -0.282 119.658 119.914 0.042 0.000 2.323 201 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 201 V C 2.362 178.413 176.094 -0.072 0.000 1.041 201 V CA 1.434 63.741 62.300 0.011 0.000 1.025 201 V CB -1.308 30.582 31.823 0.113 0.000 0.656 201 V HN 0.052 nan 8.190 nan 0.000 0.451 202 L N 1.092 122.231 121.223 -0.140 0.000 2.012 202 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 202 L C 2.470 179.209 176.870 -0.217 0.000 1.073 202 L CA 2.448 57.082 54.840 -0.343 0.000 0.748 202 L CB -0.882 40.641 42.059 -0.895 0.000 0.891 202 L HN 0.225 nan 8.230 nan 0.000 0.431 203 A N -0.370 122.371 122.820 -0.131 0.000 1.883 203 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 203 A C 2.488 180.093 177.584 0.036 0.000 1.186 203 A CA 2.196 54.240 52.037 0.012 0.000 0.624 203 A CB -1.356 17.667 19.000 0.039 0.000 0.822 203 A HN 0.630 nan 8.150 nan 0.000 0.444 204 A N -0.530 122.274 122.820 -0.027 0.000 1.873 204 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 204 A C 2.498 180.050 177.584 -0.054 0.000 1.193 204 A CA 2.270 54.276 52.037 -0.053 0.000 0.629 204 A CB -1.585 17.366 19.000 -0.083 0.000 0.826 204 A HN 0.844 nan 8.150 nan 0.000 0.447 205 G N 0.529 109.290 108.800 -0.066 0.000 2.446 205 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 205 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 205 G C 1.514 176.482 174.900 0.114 0.000 1.168 205 G CA 1.354 46.442 45.100 -0.021 0.000 0.771 205 G HN 0.895 nan 8.290 nan 0.000 0.551 206 I N -1.933 118.659 120.570 0.036 0.000 2.761 206 I HA 0.055 4.225 4.170 -0.000 0.000 0.261 206 I C 2.312 178.443 176.117 0.024 0.000 1.198 206 I CA 1.344 62.663 61.300 0.033 0.000 1.482 206 I CB -0.661 37.242 38.000 -0.161 0.000 1.100 206 I HN -0.079 nan 8.210 nan 0.000 0.445 207 T N 1.809 116.424 114.554 0.101 0.000 2.746 207 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 207 T C 1.911 176.649 174.700 0.064 0.000 1.039 207 T CA 1.962 64.142 62.100 0.134 0.000 1.142 207 T CB -0.233 68.710 68.868 0.126 0.000 0.866 207 T HN 0.346 nan 8.240 nan 0.000 0.444 208 M N 0.192 119.789 119.600 -0.005 0.000 2.175 208 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 208 M C 2.225 178.658 176.300 0.222 0.000 1.063 208 M CA 1.021 56.248 55.300 -0.121 0.000 1.119 208 M CB -0.408 31.811 32.600 -0.636 0.000 1.377 208 M HN 0.149 nan 8.290 nan 0.000 0.415 209 L N 0.557 122.024 121.223 0.407 0.000 2.046 209 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 209 L C 2.182 179.134 176.870 0.137 0.000 1.077 209 L CA 1.588 56.629 54.840 0.335 0.000 0.747 209 L CB -0.618 41.542 42.059 0.169 0.000 0.896 209 L HN 0.210 nan 8.230 nan 0.000 0.432 210 L N -0.828 120.433 121.223 0.063 0.000 2.046 210 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 210 L C 2.583 179.494 176.870 0.068 0.000 1.077 210 L CA 2.429 57.271 54.840 0.004 0.000 0.747 210 L CB -0.868 41.170 42.059 -0.035 0.000 0.896 210 L HN 0.626 nan 8.230 nan 0.000 0.432 211 T N -4.888 109.737 114.554 0.118 0.000 2.942 211 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 211 T C 1.626 176.397 174.700 0.119 0.000 1.062 211 T CA 1.010 63.190 62.100 0.133 0.000 1.139 211 T CB -0.579 68.400 68.868 0.186 0.000 0.883 211 T HN 0.254 nan 8.240 nan 0.000 0.468 212 D N 1.548 122.038 120.400 0.150 0.000 2.149 212 D HA -0.041 4.599 4.640 -0.000 0.000 0.198 212 D C 2.405 178.750 176.300 0.075 0.000 0.990 212 D CA 1.033 55.097 54.000 0.106 0.000 0.839 212 D CB -0.209 40.681 40.800 0.150 0.000 0.948 212 D HN 0.456 nan 8.370 nan 0.000 0.460 213 R N -0.394 120.149 120.500 0.072 0.000 2.153 213 R HA 0.142 4.482 4.340 -0.000 0.000 0.218 213 R C 1.045 177.373 176.300 0.045 0.000 1.072 213 R CA 0.761 56.890 56.100 0.049 0.000 0.990 213 R CB 0.213 30.529 30.300 0.027 0.000 0.889 213 R HN 0.190 nan 8.270 nan 0.000 0.452 214 N N -1.204 117.527 118.700 0.052 0.000 2.075 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.226 214 N C 0.446 175.986 175.510 0.049 0.000 1.343 214 N CA 0.186 53.267 53.050 0.053 0.000 0.881 214 N CB 1.255 39.783 38.487 0.068 0.000 1.100 214 N HN 0.077 nan 8.380 nan 0.000 0.495 215 L N 0.677 121.928 121.223 0.047 0.000 3.184 215 L HA 0.299 4.639 4.340 -0.000 0.000 0.283 215 L C -0.214 176.662 176.870 0.011 0.000 1.218 215 L CA -0.029 54.831 54.840 0.035 0.000 1.028 215 L CB 0.139 42.226 42.059 0.047 0.000 1.400 215 L HN -0.075 nan 8.230 nan 0.000 0.591 216 N N 0.812 119.517 118.700 0.007 0.000 2.776 216 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 216 N C 0.431 175.906 175.510 -0.059 0.000 1.111 216 N CA 1.326 54.366 53.050 -0.017 0.000 0.711 216 N CB -1.334 37.144 38.487 -0.016 0.000 1.065 216 N HN 0.545 nan 8.380 nan 0.000 0.556 217 T N -2.436 112.077 114.554 -0.069 0.000 2.849 217 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 217 T C 1.096 175.679 174.700 -0.195 0.000 1.004 217 T CA 0.123 62.101 62.100 -0.203 0.000 1.021 217 T CB 1.784 70.504 68.868 -0.247 0.000 1.013 217 T HN 0.256 nan 8.240 nan 0.000 0.527 218 T N -1.072 113.284 114.554 -0.331 0.000 3.624 218 T HA 0.348 4.698 4.350 -0.000 0.000 0.244 218 T C 0.517 175.045 174.700 -0.287 0.000 1.063 218 T CA -0.733 61.241 62.100 -0.210 0.000 1.252 218 T CB -0.956 67.834 68.868 -0.131 0.000 1.021 218 T HN 0.477 nan 8.240 nan 0.000 0.590 219 F N 0.577 120.319 119.950 -0.348 0.000 2.171 219 F HA 0.112 4.639 4.527 -0.000 0.000 0.300 219 F C 1.257 176.749 175.800 -0.513 0.000 1.090 219 F CA 1.129 58.786 58.000 -0.571 0.000 1.293 219 F CB -0.196 38.145 39.000 -1.097 0.000 1.013 219 F HN 0.405 nan 8.300 nan 0.000 0.486 220 F N -1.669 118.411 119.950 0.218 0.000 2.661 220 F HA 0.213 4.740 4.527 -0.000 0.000 0.306 220 F C 0.054 175.898 175.800 0.074 0.000 1.094 220 F CA -0.707 57.376 58.000 0.138 0.000 1.254 220 F CB -0.100 38.969 39.000 0.114 0.000 1.040 220 F HN -0.270 nan 8.300 nan 0.000 0.562 221 D N 1.694 122.177 120.400 0.138 0.000 2.453 221 D HA 0.270 4.910 4.640 -0.000 0.000 0.238 221 D C -2.043 174.288 176.300 0.052 0.000 1.088 221 D CA -2.513 51.539 54.000 0.086 0.000 0.854 221 D CB 2.232 43.060 40.800 0.047 0.000 1.076 221 D HN -0.138 nan 8.370 nan 0.000 0.533 222 P HA -0.071 nan 4.420 nan 0.000 0.222 222 P C 1.123 178.438 177.300 0.026 0.000 1.147 222 P CA 0.728 63.855 63.100 0.046 0.000 0.790 222 P CB 0.181 31.912 31.700 0.051 0.000 0.780 223 A N 0.251 123.083 122.820 0.021 0.000 1.986 223 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 223 A C 2.215 179.795 177.584 -0.006 0.000 1.171 223 A CA 1.968 54.011 52.037 0.009 0.000 0.640 223 A CB -1.657 17.348 19.000 0.009 0.000 0.811 223 A HN 0.335 nan 8.150 nan 0.000 0.451 224 G N -2.572 106.216 108.800 -0.019 0.000 3.434 224 G HA2 0.416 4.376 3.960 -0.000 0.000 0.258 224 G HA3 0.416 4.376 3.960 -0.000 0.000 0.258 224 G C 1.040 175.916 174.900 -0.040 0.000 1.128 224 G CA 0.436 45.510 45.100 -0.043 0.000 0.792 224 G HN 1.562 nan 8.290 nan 0.000 0.539 225 G N -0.846 107.946 108.800 -0.013 0.000 2.162 225 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.260 225 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.260 225 G C 0.894 175.799 174.900 0.009 0.000 0.976 225 G CA 0.399 45.499 45.100 -0.000 0.000 0.655 225 G HN 1.027 nan 8.290 nan 0.000 0.533 226 G N -0.940 107.862 108.800 0.004 0.000 2.553 226 G HA2 0.478 4.438 3.960 -0.000 0.000 0.278 226 G HA3 0.478 4.438 3.960 -0.000 0.000 0.278 226 G C -0.513 174.453 174.900 0.110 0.000 1.349 226 G CA 0.605 45.730 45.100 0.042 0.000 1.037 226 G HN 0.589 nan 8.290 nan 0.000 0.508 227 D N -1.447 119.072 120.400 0.198 0.000 2.452 227 D HA 0.286 4.926 4.640 -0.000 0.000 0.226 227 D C -2.011 174.468 176.300 0.298 0.000 1.366 227 D CA -1.432 52.695 54.000 0.212 0.000 0.986 227 D CB 1.887 42.803 40.800 0.193 0.000 1.420 227 D HN -0.038 nan 8.370 nan 0.000 0.583 228 P HA -0.096 nan 4.420 nan 0.000 0.219 228 P C 1.711 179.030 177.300 0.030 0.000 1.146 228 P CA 0.452 63.626 63.100 0.123 0.000 0.808 228 P CB 0.335 32.061 31.700 0.044 0.000 0.779 229 I N -1.139 119.468 120.570 0.062 0.000 2.361 229 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 229 I C 2.224 178.408 176.117 0.112 0.000 1.133 229 I CA 0.903 62.214 61.300 0.018 0.000 1.413 229 I CB -1.723 36.317 38.000 0.065 0.000 1.073 229 I HN -0.008 nan 8.210 nan 0.000 0.424 230 L N 0.738 122.118 121.223 0.261 0.000 2.043 230 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 230 L C 2.625 179.620 176.870 0.209 0.000 1.075 230 L CA 1.895 56.940 54.840 0.341 0.000 0.752 230 L CB -1.217 41.108 42.059 0.444 0.000 0.891 230 L HN 0.255 nan 8.230 nan 0.000 0.432 231 Y N 0.223 120.434 120.300 -0.148 0.000 2.114 231 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 231 Y C 2.589 178.325 175.900 -0.274 0.000 1.165 231 Y CA 2.376 60.127 58.100 -0.582 0.000 1.148 231 Y CB -0.233 37.514 38.460 -1.188 0.000 0.972 231 Y HN 0.416 nan 8.280 nan 0.000 0.504 232 Q N -1.221 118.454 119.800 -0.208 0.000 2.084 232 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 232 Q C 2.077 178.120 176.000 0.071 0.000 0.978 232 Q CA 1.473 57.193 55.803 -0.138 0.000 0.844 232 Q CB -0.372 28.233 28.738 -0.220 0.000 0.898 232 Q HN 0.609 nan 8.270 nan 0.000 0.426 233 H N 0.697 119.852 119.070 0.142 0.000 2.290 233 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 233 H C 2.237 177.536 175.328 -0.048 0.000 1.087 233 H CA 1.351 57.517 56.048 0.195 0.000 1.291 233 H CB -0.281 29.601 29.762 0.201 0.000 1.369 233 H HN 0.206 nan 8.280 nan 0.000 0.492 234 L N -0.589 120.621 121.223 -0.022 0.000 2.046 234 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 234 L C 2.552 179.295 176.870 -0.211 0.000 1.077 234 L CA 0.972 55.720 54.840 -0.154 0.000 0.747 234 L CB -0.510 41.432 42.059 -0.195 0.000 0.896 234 L HN 0.091 nan 8.230 nan 0.000 0.432 235 F N -0.314 119.326 119.950 -0.516 0.000 2.075 235 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 235 F C 1.950 177.512 175.800 -0.398 0.000 1.113 235 F CA 1.531 59.172 58.000 -0.599 0.000 1.218 235 F CB -0.362 38.076 39.000 -0.936 0.000 0.984 235 F HN -0.033 nan 8.300 nan 0.000 0.472 236 W N -1.264 120.048 121.300 0.020 0.000 2.678 236 W HA -0.046 4.614 4.660 -0.000 0.000 0.256 236 W C 2.124 178.578 176.519 -0.109 0.000 1.280 236 W CA 0.292 57.622 57.345 -0.025 0.000 1.345 236 W CB -0.528 29.064 29.460 0.222 0.000 1.118 236 W HN 0.088 nan 8.180 nan 0.000 0.629 237 F N -0.075 119.745 119.950 -0.217 0.000 2.171 237 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 237 F C 2.215 177.918 175.800 -0.161 0.000 1.090 237 F CA 1.574 59.332 58.000 -0.403 0.000 1.293 237 F CB -0.521 38.107 39.000 -0.620 0.000 1.013 237 F HN -0.038 nan 8.300 nan 0.000 0.486 238 F N 0.514 120.337 119.950 -0.213 0.000 2.149 238 F HA 0.143 4.670 4.527 -0.000 0.000 0.294 238 F C 2.263 177.859 175.800 -0.340 0.000 1.095 238 F CA 1.651 59.474 58.000 -0.295 0.000 1.276 238 F CB -1.201 37.570 39.000 -0.382 0.000 1.023 238 F HN -0.099 nan 8.300 nan 0.000 0.480 239 G N -1.134 107.107 108.800 -0.932 0.000 2.422 239 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 239 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 239 G C 1.452 176.170 174.900 -0.303 0.000 1.146 239 G CA 1.124 45.687 45.100 -0.895 0.000 0.769 239 G HN 0.560 nan 8.290 nan 0.000 0.547 240 H N 1.741 120.779 119.070 -0.055 0.000 2.299 240 H HA -0.010 4.546 4.556 -0.000 0.000 0.302 240 H C 0.177 175.442 175.328 -0.105 0.000 1.078 240 H CA 1.768 57.843 56.048 0.046 0.000 1.323 240 H CB -0.568 29.327 29.762 0.221 0.000 1.381 240 H HN 0.250 nan 8.280 nan 0.000 0.498 241 P HA -0.199 nan 4.420 nan 0.000 0.217 241 P C 1.239 178.301 177.300 -0.398 0.000 1.151 241 P CA 2.065 64.900 63.100 -0.442 0.000 0.849 241 P CB 0.000 31.213 31.700 -0.812 0.000 0.787 242 E N 0.031 119.859 120.200 -0.620 0.000 2.085 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 242 E C 1.752 178.081 176.600 -0.452 0.000 0.994 242 E CA 1.580 57.632 56.400 -0.580 0.000 0.801 242 E CB -1.209 27.924 29.700 -0.945 0.000 0.743 242 E HN 0.148 nan 8.360 nan 0.000 0.453 243 V N -1.057 118.536 119.914 -0.536 0.000 2.515 243 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 243 V C 1.884 177.592 176.094 -0.644 0.000 1.058 243 V CA 1.726 63.668 62.300 -0.596 0.000 1.064 243 V CB -1.139 30.295 31.823 -0.648 0.000 0.675 243 V HN 0.291 nan 8.190 nan 0.000 0.461 244 Y N 0.340 120.438 120.300 -0.338 0.000 2.314 244 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 244 Y C 2.367 178.138 175.900 -0.215 0.000 1.129 244 Y CA 1.545 59.517 58.100 -0.215 0.000 1.201 244 Y CB -0.548 37.848 38.460 -0.108 0.000 0.999 244 Y HN 0.187 nan 8.280 nan 0.000 0.541 245 I N -0.260 120.234 120.570 -0.126 0.000 2.286 245 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 245 I C 1.952 177.966 176.117 -0.171 0.000 1.115 245 I CA 1.376 62.599 61.300 -0.128 0.000 1.392 245 I CB -0.326 37.590 38.000 -0.139 0.000 1.065 245 I HN 0.227 nan 8.210 nan 0.000 0.418 246 L N -0.483 120.598 121.223 -0.236 0.000 2.275 246 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 246 L C 2.204 178.943 176.870 -0.219 0.000 1.119 246 L CA 0.917 55.615 54.840 -0.237 0.000 0.790 246 L CB -0.105 41.773 42.059 -0.302 0.000 0.919 246 L HN 0.276 nan 8.230 nan 0.000 0.443 247 I N -1.541 118.862 120.570 -0.278 0.000 3.939 247 I HA -0.027 4.143 4.170 -0.000 0.000 0.313 247 I C 1.926 177.702 176.117 -0.569 0.000 1.274 247 I CA 0.621 61.684 61.300 -0.394 0.000 1.301 247 I CB 0.295 38.010 38.000 -0.476 0.000 1.105 247 I HN -0.006 nan 8.210 nan 0.000 0.427 248 L N 1.397 122.395 121.223 -0.375 0.000 1.990 248 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 248 L C -0.434 176.403 176.870 -0.055 0.000 1.072 248 L CA 1.924 56.637 54.840 -0.212 0.000 0.755 248 L CB -1.836 40.208 42.059 -0.025 0.000 0.889 248 L HN 0.184 nan 8.230 nan 0.000 0.432 249 P HA -0.131 nan 4.420 nan 0.000 0.218 249 P C 1.490 178.882 177.300 0.153 0.000 1.149 249 P CA 1.644 64.778 63.100 0.056 0.000 0.817 249 P CB -0.178 31.535 31.700 0.022 0.000 0.785 250 G N -1.288 107.513 108.800 0.002 0.000 2.418 250 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 250 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 250 G C 1.428 176.315 174.900 -0.022 0.000 1.158 250 G CA 0.265 45.333 45.100 -0.053 0.000 0.771 250 G HN 0.231 nan 8.290 nan 0.000 0.545 251 F N 1.297 121.267 119.950 0.034 0.000 2.126 251 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 251 F C 2.991 178.946 175.800 0.259 0.000 1.096 251 F CA 0.376 58.493 58.000 0.194 0.000 1.255 251 F CB -0.126 39.055 39.000 0.301 0.000 0.997 251 F HN 0.271 nan 8.300 nan 0.000 0.479 252 G N 0.155 109.239 108.800 0.474 0.000 2.421 252 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 252 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 252 G C 1.574 176.801 174.900 0.546 0.000 1.171 252 G CA 0.743 46.175 45.100 0.554 0.000 0.775 252 G HN 0.213 nan 8.290 nan 0.000 0.543 253 M N 0.173 119.964 119.600 0.319 0.000 2.159 253 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 253 M C 2.457 178.788 176.300 0.052 0.000 1.063 253 M CA 0.896 56.275 55.300 0.133 0.000 1.110 253 M CB -0.361 32.205 32.600 -0.056 0.000 1.374 253 M HN 0.101 nan 8.290 nan 0.000 0.411 254 I N 0.143 120.617 120.570 -0.160 0.000 2.163 254 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 254 I C 2.496 178.474 176.117 -0.232 0.000 1.085 254 I CA 1.522 62.553 61.300 -0.448 0.000 1.347 254 I CB -1.507 35.777 38.000 -1.193 0.000 1.044 254 I HN 0.235 nan 8.210 nan 0.000 0.408 255 S N -0.350 115.442 115.700 0.153 0.000 2.370 255 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 255 S C 1.894 176.649 174.600 0.258 0.000 1.033 255 S CA 1.144 59.578 58.200 0.391 0.000 1.011 255 S CB -0.511 63.016 63.200 0.545 0.000 0.852 255 S HN 0.508 nan 8.310 nan 0.000 0.457 256 H N 0.291 119.491 119.070 0.218 0.000 2.353 256 H HA 0.030 4.586 4.556 -0.000 0.000 0.300 256 H C 2.138 177.464 175.328 -0.004 0.000 1.090 256 H CA 1.397 57.560 56.048 0.192 0.000 1.327 256 H CB -0.175 29.796 29.762 0.349 0.000 1.383 256 H HN 0.359 nan 8.280 nan 0.000 0.508 257 I N 0.154 120.722 120.570 -0.003 0.000 2.233 257 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 257 I C 2.560 178.688 176.117 0.019 0.000 1.093 257 I CA 0.547 61.750 61.300 -0.161 0.000 1.380 257 I CB -0.165 37.724 38.000 -0.185 0.000 1.067 257 I HN -0.017 nan 8.210 nan 0.000 0.413 258 V N 0.623 120.532 119.914 -0.009 0.000 2.332 258 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 258 V C 2.519 178.651 176.094 0.064 0.000 1.055 258 V CA 2.533 64.847 62.300 0.024 0.000 1.038 258 V CB -0.930 30.891 31.823 -0.003 0.000 0.651 258 V HN 0.483 nan 8.190 nan 0.000 0.450 259 T N -1.330 113.273 114.554 0.082 0.000 2.746 259 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 259 T C 1.705 176.403 174.700 -0.004 0.000 1.039 259 T CA 2.068 64.208 62.100 0.067 0.000 1.142 259 T CB -0.333 68.585 68.868 0.083 0.000 0.866 259 T HN 0.599 nan 8.240 nan 0.000 0.444 260 Y N 0.564 120.753 120.300 -0.186 0.000 2.133 260 Y HA -0.154 4.396 4.550 -0.000 0.000 0.287 260 Y C 1.863 177.478 175.900 -0.474 0.000 1.134 260 Y CA 1.264 59.140 58.100 -0.373 0.000 1.133 260 Y CB -0.294 37.804 38.460 -0.603 0.000 0.987 260 Y HN 0.209 nan 8.280 nan 0.000 0.502 261 Y N -0.816 119.513 120.300 0.048 0.000 2.616 261 Y HA -0.051 4.499 4.550 -0.000 0.000 0.296 261 Y C 2.293 178.106 175.900 -0.145 0.000 1.154 261 Y CA 1.044 59.109 58.100 -0.059 0.000 1.325 261 Y CB -0.321 38.086 38.460 -0.089 0.000 1.007 261 Y HN 0.051 nan 8.280 nan 0.000 0.542 262 S N -1.213 114.464 115.700 -0.038 0.000 2.556 262 S HA 0.214 4.684 4.470 -0.000 0.000 0.216 262 S C 1.746 176.288 174.600 -0.096 0.000 0.970 262 S CA 0.572 58.733 58.200 -0.064 0.000 0.912 262 S CB -0.110 63.076 63.200 -0.023 0.000 0.790 262 S HN 0.641 nan 8.310 nan 0.000 0.504 263 G N 1.671 110.372 108.800 -0.165 0.000 2.160 263 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 263 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 263 G C -0.042 174.775 174.900 -0.138 0.000 1.008 263 G CA 0.305 45.288 45.100 -0.195 0.000 0.724 263 G HN 0.374 nan 8.290 nan 0.000 0.514 264 K N -0.183 120.158 120.400 -0.099 0.000 2.087 264 K HA 0.565 4.885 4.320 -0.000 0.000 0.255 264 K C 1.452 178.027 176.600 -0.041 0.000 0.988 264 K CA -0.148 56.115 56.287 -0.039 0.000 0.915 264 K CB 0.933 33.445 32.500 0.019 0.000 1.043 264 K HN 0.214 nan 8.250 nan 0.000 0.457 265 K N 1.363 121.755 120.400 -0.012 0.000 2.400 265 K HA 0.022 4.342 4.320 -0.000 0.000 0.194 265 K C -0.584 176.033 176.600 0.029 0.000 1.033 265 K CA 0.665 56.951 56.287 -0.002 0.000 1.021 265 K CB 0.249 32.745 32.500 -0.007 0.000 0.808 265 K HN 0.659 nan 8.250 nan 0.000 0.505 266 E N 0.301 120.529 120.200 0.047 0.000 2.423 266 E HA 0.361 4.711 4.350 -0.000 0.000 0.280 266 E C -3.006 173.662 176.600 0.114 0.000 1.030 266 E CA -2.468 53.975 56.400 0.073 0.000 0.812 266 E CB 1.223 30.954 29.700 0.052 0.000 1.313 266 E HN -0.158 nan 8.360 nan 0.000 0.456 267 P HA 0.074 nan 4.420 nan 0.000 0.272 267 P C -0.748 176.689 177.300 0.228 0.000 1.230 267 P CA -0.343 62.884 63.100 0.212 0.000 0.788 267 P CB 0.399 32.238 31.700 0.232 0.000 0.949 268 F N 0.998 121.019 119.950 0.119 0.000 2.484 268 F HA 0.392 4.919 4.527 -0.000 0.000 0.360 268 F C 1.289 177.138 175.800 0.081 0.000 1.101 268 F CA 0.962 59.020 58.000 0.096 0.000 1.251 268 F CB -0.064 38.992 39.000 0.095 0.000 1.132 268 F HN 0.673 nan 8.300 nan 0.000 0.570 269 G N 6.134 114.441 108.800 -0.822 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.290 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.290 269 G C 0.401 175.236 174.900 -0.108 0.000 0.965 269 G CA 0.755 45.538 45.100 -0.528 0.000 1.263 269 G HN 1.082 nan 8.290 nan 0.000 0.498 270 Y N 0.611 120.824 120.300 -0.144 0.000 2.030 270 Y HA -0.315 4.235 4.550 -0.000 0.000 0.272 270 Y C 2.652 178.507 175.900 -0.077 0.000 1.185 270 Y CA 2.768 60.834 58.100 -0.057 0.000 1.120 270 Y CB -0.084 38.367 38.460 -0.015 0.000 0.955 270 Y HN 0.422 nan 8.280 nan 0.000 0.495 271 M N -0.186 119.435 119.600 0.035 0.000 2.229 271 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 271 M C 2.412 178.649 176.300 -0.105 0.000 1.063 271 M CA 1.346 56.597 55.300 -0.082 0.000 1.114 271 M CB -1.891 30.693 32.600 -0.026 0.000 1.387 271 M HN 0.506 nan 8.290 nan 0.000 0.420 272 G N 0.048 108.803 108.800 -0.075 0.000 2.408 272 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 272 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 272 G C 1.545 176.486 174.900 0.068 0.000 1.150 272 G CA 0.416 45.524 45.100 0.014 0.000 0.776 272 G HN 0.275 nan 8.290 nan 0.000 0.542 273 M N 0.522 120.072 119.600 -0.083 0.000 2.117 273 M HA -0.025 4.455 4.480 -0.000 0.000 0.262 273 M C 2.714 178.871 176.300 -0.239 0.000 1.065 273 M CA 0.848 56.053 55.300 -0.159 0.000 1.114 273 M CB -1.155 31.341 32.600 -0.172 0.000 1.361 273 M HN 0.112 nan 8.290 nan 0.000 0.408 274 V N -0.972 118.686 119.914 -0.426 0.000 2.307 274 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 274 V C 2.098 177.990 176.094 -0.337 0.000 1.045 274 V CA 1.794 63.710 62.300 -0.640 0.000 1.024 274 V CB -0.806 30.374 31.823 -1.071 0.000 0.651 274 V HN 0.623 nan 8.190 nan 0.000 0.449 275 W N 1.246 122.351 121.300 -0.325 0.000 2.318 275 W HA -0.277 4.383 4.660 -0.000 0.000 0.313 275 W C 2.411 178.852 176.519 -0.130 0.000 1.221 275 W CA 2.426 59.655 57.345 -0.195 0.000 1.266 275 W CB -0.436 28.930 29.460 -0.157 0.000 1.150 275 W HN 0.194 nan 8.180 nan 0.000 0.496 276 A N 0.096 122.797 122.820 -0.199 0.000 1.902 276 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 276 A C 2.070 179.453 177.584 -0.335 0.000 1.181 276 A CA 2.036 53.826 52.037 -0.412 0.000 0.623 276 A CB -0.838 18.089 19.000 -0.122 0.000 0.818 276 A HN 0.426 nan 8.150 nan 0.000 0.443 277 M N -1.479 118.007 119.600 -0.190 0.000 2.200 277 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 277 M C 2.396 178.649 176.300 -0.078 0.000 1.066 277 M CA 1.302 56.574 55.300 -0.046 0.000 1.127 277 M CB -0.336 32.286 32.600 0.037 0.000 1.379 277 M HN 0.426 nan 8.290 nan 0.000 0.420 278 M N -0.693 118.813 119.600 -0.156 0.000 2.108 278 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 278 M C 2.223 178.445 176.300 -0.130 0.000 1.066 278 M CA 1.521 56.758 55.300 -0.106 0.000 1.107 278 M CB -0.301 32.224 32.600 -0.125 0.000 1.356 278 M HN 0.197 nan 8.290 nan 0.000 0.406 279 S N 0.614 116.089 115.700 -0.375 0.000 2.368 279 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 279 S C 1.734 176.238 174.600 -0.160 0.000 1.029 279 S CA 1.020 58.996 58.200 -0.374 0.000 0.988 279 S CB -0.286 62.375 63.200 -0.899 0.000 0.838 279 S HN 0.371 nan 8.310 nan 0.000 0.462 280 I N 1.386 121.841 120.570 -0.191 0.000 2.286 280 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 280 I C 2.617 178.630 176.117 -0.174 0.000 1.115 280 I CA 1.103 62.300 61.300 -0.172 0.000 1.392 280 I CB -0.721 37.241 38.000 -0.063 0.000 1.065 280 I HN 0.356 nan 8.210 nan 0.000 0.418 281 G N 0.614 109.392 108.800 -0.036 0.000 2.421 281 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 281 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 281 G C 1.612 176.595 174.900 0.138 0.000 1.171 281 G CA 0.611 45.739 45.100 0.047 0.000 0.775 281 G HN 0.371 nan 8.290 nan 0.000 0.543 282 F N 1.116 121.088 119.950 0.037 0.000 2.113 282 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 282 F C 2.401 178.268 175.800 0.112 0.000 1.103 282 F CA 1.143 59.208 58.000 0.109 0.000 1.248 282 F CB -0.169 38.848 39.000 0.029 0.000 0.999 282 F HN 0.032 nan 8.300 nan 0.000 0.475 283 L N 0.113 121.342 121.223 0.010 0.000 2.141 283 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 283 L C 2.686 179.437 176.870 -0.199 0.000 1.094 283 L CA 1.068 55.849 54.840 -0.097 0.000 0.763 283 L CB -1.447 40.595 42.059 -0.028 0.000 0.908 283 L HN 0.354 nan 8.230 nan 0.000 0.437 284 G N -0.774 107.858 108.800 -0.281 0.000 2.527 284 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 284 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 284 G C 1.179 175.933 174.900 -0.243 0.000 1.117 284 G CA 0.324 45.261 45.100 -0.272 0.000 0.759 284 G HN 0.287 nan 8.290 nan 0.000 0.556 285 F N -0.052 119.793 119.950 -0.175 0.000 2.749 285 F HA 0.297 4.824 4.527 -0.000 0.000 0.300 285 F C 1.830 177.647 175.800 0.028 0.000 1.103 285 F CA -0.127 57.751 58.000 -0.204 0.000 1.342 285 F CB 0.419 39.254 39.000 -0.274 0.000 1.098 285 F HN 0.226 nan 8.300 nan 0.000 0.586 286 I N -2.269 118.412 120.570 0.185 0.000 3.833 286 I HA 0.243 4.413 4.170 -0.000 0.000 0.328 286 I C 0.394 176.672 176.117 0.267 0.000 1.554 286 I CA -0.017 61.488 61.300 0.341 0.000 1.116 286 I CB 0.171 38.270 38.000 0.165 0.000 1.182 286 I HN -0.114 nan 8.210 nan 0.000 0.459 287 V N -3.424 116.606 119.914 0.192 0.000 3.432 287 V HA 0.224 4.344 4.120 -0.000 0.000 0.298 287 V C 1.662 177.542 176.094 -0.357 0.000 1.464 287 V CA -0.189 62.113 62.300 0.004 0.000 1.046 287 V CB -1.004 30.674 31.823 -0.241 0.000 0.887 287 V HN 0.702 nan 8.190 nan 0.000 0.441 288 W N 1.945 123.173 121.300 -0.119 0.000 2.364 288 W HA 0.116 4.776 4.660 -0.000 0.000 0.281 288 W C 1.801 178.026 176.519 -0.490 0.000 1.219 288 W CA 1.464 58.686 57.345 -0.205 0.000 1.220 288 W CB -0.716 28.808 29.460 0.106 0.000 1.127 288 W HN 0.220 nan 8.180 nan 0.000 0.556 289 A N 1.785 123.613 122.820 -1.652 0.000 2.235 289 A HA -0.112 4.208 4.320 -0.000 0.000 0.208 289 A C 1.775 178.518 177.584 -1.402 0.000 1.172 289 A CA 1.001 52.109 52.037 -1.549 0.000 0.786 289 A CB -1.770 15.942 19.000 -2.148 0.000 0.804 289 A HN 0.781 nan 8.150 nan 0.000 0.479 290 H N -2.485 115.829 119.070 -1.260 0.000 2.561 290 H HA -0.034 4.522 4.556 -0.000 0.000 0.278 290 H C 0.645 175.088 175.328 -1.475 0.000 1.014 290 H CA 0.945 55.922 56.048 -1.785 0.000 1.211 290 H CB -0.384 28.843 29.762 -0.890 0.000 1.365 290 H HN 0.674 nan 8.280 nan 0.000 0.594 291 H N 0.391 119.007 119.070 -0.756 0.000 2.533 291 H HA 0.201 4.757 4.556 -0.000 0.000 0.271 291 H C 0.615 175.585 175.328 -0.596 0.000 1.000 291 H CA 0.334 55.917 56.048 -0.774 0.000 1.149 291 H CB 0.429 29.165 29.762 -1.710 0.000 1.375 291 H HN 0.499 nan 8.280 nan 0.000 0.582 292 M N -0.631 118.621 119.600 -0.581 0.000 2.821 292 M HA 0.088 4.568 4.480 -0.000 0.000 0.432 292 M C 0.107 176.261 176.300 -0.243 0.000 1.291 292 M CA -0.130 54.954 55.300 -0.360 0.000 0.838 292 M CB 0.620 33.027 32.600 -0.321 0.000 1.505 292 M HN -0.073 nan 8.290 nan 0.000 0.523 293 F N 0.888 120.669 119.950 -0.282 0.000 2.451 293 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 293 F C 2.485 178.182 175.800 -0.172 0.000 1.101 293 F CA 1.370 59.250 58.000 -0.199 0.000 1.436 293 F CB -0.640 38.259 39.000 -0.167 0.000 1.074 293 F HN 0.233 nan 8.300 nan 0.000 0.553 294 T N -3.602 110.908 114.554 -0.073 0.000 3.092 294 T HA 0.153 4.503 4.350 -0.000 0.000 0.258 294 T C 1.549 176.241 174.700 -0.013 0.000 1.031 294 T CA 0.672 62.747 62.100 -0.041 0.000 0.925 294 T CB -0.645 68.194 68.868 -0.048 0.000 1.036 294 T HN 0.097 nan 8.240 nan 0.000 0.544 295 V N -1.566 118.335 119.914 -0.022 0.000 3.306 295 V HA 0.565 4.685 4.120 -0.000 0.000 0.264 295 V C 1.542 177.658 176.094 0.036 0.000 1.149 295 V CA 0.570 62.875 62.300 0.007 0.000 1.143 295 V CB -1.039 30.771 31.823 -0.023 0.000 0.767 295 V HN 0.776 nan 8.190 nan 0.000 0.476 296 G N 0.189 109.017 108.800 0.045 0.000 2.226 296 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.176 296 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.176 296 G C -0.257 174.687 174.900 0.073 0.000 1.042 296 G CA 0.087 45.221 45.100 0.057 0.000 0.732 296 G HN 0.488 nan 8.290 nan 0.000 0.494 297 M N 0.662 120.315 119.600 0.089 0.000 2.228 297 M HA 0.287 4.767 4.480 -0.000 0.000 0.326 297 M C 0.443 176.804 176.300 0.101 0.000 1.122 297 M CA -0.553 54.816 55.300 0.115 0.000 1.161 297 M CB 0.212 32.900 32.600 0.148 0.000 1.437 297 M HN 0.106 nan 8.290 nan 0.000 0.465 298 D N 1.038 121.499 120.400 0.102 0.000 2.515 298 D HA -0.084 4.556 4.640 -0.000 0.000 0.232 298 D C 0.892 177.243 176.300 0.084 0.000 1.157 298 D CA 0.117 54.167 54.000 0.083 0.000 0.871 298 D CB 0.717 41.568 40.800 0.084 0.000 1.200 298 D HN 0.399 nan 8.370 nan 0.000 0.466 299 V N 2.230 122.176 119.914 0.054 0.000 2.343 299 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 299 V C 1.338 177.463 176.094 0.051 0.000 1.051 299 V CA 1.844 64.165 62.300 0.035 0.000 1.036 299 V CB -0.103 31.728 31.823 0.013 0.000 0.654 299 V HN 0.431 nan 8.190 nan 0.000 0.451 300 D N -0.532 119.904 120.400 0.059 0.000 2.144 300 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 300 D C 2.223 178.596 176.300 0.122 0.000 0.984 300 D CA 1.866 55.908 54.000 0.070 0.000 0.834 300 D CB -0.455 40.376 40.800 0.051 0.000 0.955 300 D HN 0.446 nan 8.370 nan 0.000 0.465 301 T N 0.766 115.417 114.554 0.161 0.000 2.708 301 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 301 T C 2.014 176.964 174.700 0.417 0.000 1.037 301 T CA 0.906 63.174 62.100 0.280 0.000 1.146 301 T CB 0.017 69.059 68.868 0.290 0.000 0.865 301 T HN 0.139 nan 8.240 nan 0.000 0.435 302 R N 0.759 121.434 120.500 0.292 0.000 2.096 302 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 302 R C 2.776 179.142 176.300 0.110 0.000 1.127 302 R CA 1.264 57.514 56.100 0.250 0.000 0.968 302 R CB -0.449 29.879 30.300 0.047 0.000 0.861 302 R HN 0.353 nan 8.270 nan 0.000 0.440 303 A N 0.544 123.398 122.820 0.058 0.000 1.902 303 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 303 A C 1.996 179.588 177.584 0.013 0.000 1.181 303 A CA 1.354 53.394 52.037 0.005 0.000 0.623 303 A CB -0.691 18.318 19.000 0.015 0.000 0.818 303 A HN 0.521 nan 8.150 nan 0.000 0.443 304 Y N -0.810 119.478 120.300 -0.020 0.000 2.163 304 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 304 Y C 1.825 177.629 175.900 -0.159 0.000 1.136 304 Y CA 1.715 59.736 58.100 -0.132 0.000 1.147 304 Y CB -0.537 37.774 38.460 -0.249 0.000 0.987 304 Y HN 0.217 nan 8.280 nan 0.000 0.509 305 F N 0.273 120.051 119.950 -0.287 0.000 2.234 305 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 305 F C 2.482 178.221 175.800 -0.100 0.000 1.087 305 F CA 1.793 59.605 58.000 -0.313 0.000 1.340 305 F CB -0.916 38.069 39.000 -0.025 0.000 1.031 305 F HN -0.003 nan 8.300 nan 0.000 0.500 306 T N -0.941 113.719 114.554 0.177 0.000 2.684 306 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 306 T C 2.278 176.949 174.700 -0.049 0.000 1.036 306 T CA 1.892 64.035 62.100 0.070 0.000 1.148 306 T CB -0.392 68.421 68.868 -0.091 0.000 0.863 306 T HN 0.172 nan 8.240 nan 0.000 0.436 307 S N 1.208 116.822 115.700 -0.144 0.000 2.368 307 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 307 S C 2.560 177.047 174.600 -0.187 0.000 1.029 307 S CA 0.904 59.016 58.200 -0.146 0.000 0.988 307 S CB -0.519 62.595 63.200 -0.143 0.000 0.838 307 S HN 0.573 nan 8.310 nan 0.000 0.462 308 A N 1.322 123.906 122.820 -0.394 0.000 1.933 308 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 308 A C 2.304 179.801 177.584 -0.145 0.000 1.175 308 A CA 1.999 53.834 52.037 -0.335 0.000 0.628 308 A CB -1.264 17.352 19.000 -0.641 0.000 0.814 308 A HN 0.467 nan 8.150 nan 0.000 0.444 309 T N -0.023 114.480 114.554 -0.084 0.000 2.777 309 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 309 T C 1.927 176.637 174.700 0.016 0.000 1.040 309 T CA 1.637 63.755 62.100 0.030 0.000 1.141 309 T CB -0.302 68.669 68.868 0.171 0.000 0.868 309 T HN 0.435 nan 8.240 nan 0.000 0.444 310 M N 0.348 119.945 119.600 -0.004 0.000 2.149 310 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 310 M C 2.143 178.454 176.300 0.018 0.000 1.064 310 M CA 1.541 56.843 55.300 0.004 0.000 1.102 310 M CB -0.640 31.954 32.600 -0.010 0.000 1.369 310 M HN 0.238 nan 8.290 nan 0.000 0.408 311 I N 0.193 120.769 120.570 0.009 0.000 2.335 311 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 311 I C 2.154 178.295 176.117 0.041 0.000 1.129 311 I CA 1.223 62.542 61.300 0.031 0.000 1.402 311 I CB -0.360 37.658 38.000 0.030 0.000 1.069 311 I HN 0.281 nan 8.210 nan 0.000 0.424 312 I N 0.673 121.261 120.570 0.030 0.000 2.567 312 I HA -0.284 3.886 4.170 -0.000 0.000 0.257 312 I C 2.671 178.833 176.117 0.074 0.000 1.184 312 I CA 0.934 62.253 61.300 0.032 0.000 1.451 312 I CB -0.340 37.688 38.000 0.047 0.000 1.089 312 I HN 0.223 nan 8.210 nan 0.000 0.441 313 A N 1.080 123.947 122.820 0.079 0.000 1.972 313 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 313 A C 2.202 179.844 177.584 0.096 0.000 1.169 313 A CA 1.379 53.468 52.037 0.087 0.000 0.635 313 A CB -0.598 18.442 19.000 0.068 0.000 0.810 313 A HN 0.393 nan 8.150 nan 0.000 0.446 314 I N 0.353 120.985 120.570 0.104 0.000 2.113 314 I HA -0.151 4.019 4.170 -0.000 0.000 0.238 314 I C -0.347 175.877 176.117 0.178 0.000 1.070 314 I CA 1.505 62.898 61.300 0.156 0.000 1.332 314 I CB -1.177 36.931 38.000 0.180 0.000 1.044 314 I HN 0.233 nan 8.210 nan 0.000 0.402 315 P HA -0.099 nan 4.420 nan 0.000 0.220 315 P C 1.516 178.806 177.300 -0.016 0.000 1.148 315 P CA 1.525 64.621 63.100 -0.007 0.000 0.803 315 P CB -0.290 31.183 31.700 -0.379 0.000 0.782 316 T N -0.303 114.258 114.554 0.012 0.000 2.746 316 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 316 T C 2.192 176.841 174.700 -0.084 0.000 1.039 316 T CA 1.796 63.898 62.100 0.004 0.000 1.142 316 T CB -1.266 67.715 68.868 0.190 0.000 0.866 316 T HN 0.185 nan 8.240 nan 0.000 0.444 317 G N 1.077 109.860 108.800 -0.028 0.000 2.422 317 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 317 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 317 G C 1.688 176.524 174.900 -0.108 0.000 1.146 317 G CA 0.723 45.739 45.100 -0.139 0.000 0.769 317 G HN 0.434 nan 8.290 nan 0.000 0.547 318 V N 0.634 120.589 119.914 0.069 0.000 2.407 318 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 318 V C 2.807 178.841 176.094 -0.100 0.000 1.055 318 V CA 2.200 64.569 62.300 0.116 0.000 1.049 318 V CB -0.326 31.638 31.823 0.235 0.000 0.662 318 V HN 0.394 nan 8.190 nan 0.000 0.455 319 K N -0.360 119.837 120.400 -0.338 0.000 2.025 319 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 319 K C 2.092 178.098 176.600 -0.990 0.000 1.049 319 K CA 1.349 57.155 56.287 -0.802 0.000 0.933 319 K CB -0.459 31.356 32.500 -1.141 0.000 0.714 319 K HN 0.338 nan 8.250 nan 0.000 0.438 320 V N 1.459 120.973 119.914 -0.666 0.000 2.252 320 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 320 V C 2.096 178.050 176.094 -0.234 0.000 1.056 320 V CA 1.929 64.034 62.300 -0.327 0.000 1.022 320 V CB -0.741 30.849 31.823 -0.387 0.000 0.641 320 V HN 0.216 nan 8.190 nan 0.000 0.445 321 F N 0.412 120.343 119.950 -0.031 0.000 2.202 321 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 321 F C 2.588 178.335 175.800 -0.088 0.000 1.082 321 F CA 1.315 59.292 58.000 -0.037 0.000 1.313 321 F CB -0.441 38.536 39.000 -0.038 0.000 1.024 321 F HN 0.080 nan 8.300 nan 0.000 0.495 322 S N -1.141 114.571 115.700 0.020 0.000 2.414 322 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 322 S C 1.665 176.325 174.600 0.100 0.000 1.022 322 S CA 0.423 58.668 58.200 0.076 0.000 0.958 322 S CB -0.282 62.995 63.200 0.127 0.000 0.797 322 S HN 0.377 nan 8.310 nan 0.000 0.493 323 W N 2.149 123.505 121.300 0.094 0.000 2.358 323 W HA 0.036 4.696 4.660 -0.000 0.000 0.303 323 W C 1.901 178.463 176.519 0.072 0.000 1.208 323 W CA 0.319 57.715 57.345 0.084 0.000 1.274 323 W CB -1.304 28.203 29.460 0.078 0.000 1.138 323 W HN 0.303 nan 8.180 nan 0.000 0.515 324 L N 0.134 121.523 121.223 0.275 0.000 2.046 324 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 324 L C 2.637 179.548 176.870 0.068 0.000 1.077 324 L CA 1.532 56.479 54.840 0.178 0.000 0.747 324 L CB -1.393 40.787 42.059 0.202 0.000 0.896 324 L HN -0.134 nan 8.230 nan 0.000 0.432 325 A N -0.558 122.216 122.820 -0.075 0.000 2.019 325 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 325 A C 2.320 179.871 177.584 -0.054 0.000 1.164 325 A CA 2.162 54.008 52.037 -0.317 0.000 0.644 325 A CB -0.711 17.598 19.000 -1.151 0.000 0.805 325 A HN 0.413 nan 8.150 nan 0.000 0.449 326 T N 0.207 114.829 114.554 0.115 0.000 2.851 326 T HA 0.024 4.374 4.350 -0.000 0.000 0.262 326 T C 1.771 176.552 174.700 0.136 0.000 1.043 326 T CA 1.154 63.374 62.100 0.201 0.000 1.140 326 T CB -0.304 68.722 68.868 0.263 0.000 0.872 326 T HN 0.380 nan 8.240 nan 0.000 0.446 327 L N 0.363 121.659 121.223 0.120 0.000 2.083 327 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 327 L C 1.368 178.288 176.870 0.083 0.000 1.083 327 L CA 0.647 55.529 54.840 0.070 0.000 0.752 327 L CB -0.786 41.309 42.059 0.060 0.000 0.899 327 L HN 0.341 nan 8.230 nan 0.000 0.433 328 H N 0.645 119.714 119.070 -0.002 0.000 3.157 328 H HA 0.191 4.747 4.556 -0.000 0.000 0.299 328 H C 1.108 176.437 175.328 0.002 0.000 0.961 328 H CA 0.400 56.442 56.048 -0.010 0.000 1.428 328 H CB 0.247 29.984 29.762 -0.041 0.000 1.459 328 H HN 0.304 nan 8.280 nan 0.000 0.566 329 G N 2.896 111.494 108.800 -0.337 0.000 2.179 329 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 329 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 329 G C 0.726 175.548 174.900 -0.130 0.000 0.977 329 G CA 0.235 45.155 45.100 -0.300 0.000 0.641 329 G HN 1.045 nan 8.290 nan 0.000 0.533 330 G N -0.126 108.625 108.800 -0.081 0.000 2.441 330 G HA2 0.369 4.329 3.960 -0.000 0.000 0.243 330 G HA3 0.369 4.329 3.960 -0.000 0.000 0.243 330 G C 0.216 175.077 174.900 -0.065 0.000 1.281 330 G CA 0.395 45.458 45.100 -0.063 0.000 0.854 330 G HN 0.588 nan 8.290 nan 0.000 0.560 331 N N 2.135 120.796 118.700 -0.064 0.000 2.605 331 N HA 0.010 4.750 4.740 -0.000 0.000 0.258 331 N C 0.405 175.875 175.510 -0.067 0.000 1.156 331 N CA -0.483 52.535 53.050 -0.054 0.000 1.008 331 N CB -0.110 38.345 38.487 -0.054 0.000 1.354 331 N HN 0.197 nan 8.380 nan 0.000 0.509 332 I N 1.730 122.249 120.570 -0.085 0.000 2.452 332 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 332 I C 0.720 176.736 176.117 -0.167 0.000 1.079 332 I CA -0.262 60.920 61.300 -0.196 0.000 1.387 332 I CB 0.188 37.964 38.000 -0.374 0.000 1.404 332 I HN 0.357 nan 8.210 nan 0.000 0.522 333 K N 6.745 127.071 120.400 -0.123 0.000 2.263 333 K HA 0.229 4.549 4.320 -0.000 0.000 0.272 333 K C -0.904 175.635 176.600 -0.101 0.000 1.033 333 K CA -0.283 56.012 56.287 0.012 0.000 0.884 333 K CB 0.398 32.996 32.500 0.164 0.000 1.107 333 K HN 0.342 nan 8.250 nan 0.000 0.460 334 W N 4.667 125.934 121.300 -0.055 0.000 1.564 334 W HA 0.137 4.797 4.660 -0.000 0.000 0.448 334 W C 0.306 176.713 176.519 -0.186 0.000 0.601 334 W CA -0.512 56.755 57.345 -0.130 0.000 2.326 334 W CB -0.567 28.824 29.460 -0.115 0.000 1.355 334 W HN 0.530 nan 8.180 nan 0.000 0.382 335 S N 0.170 115.783 115.700 -0.145 0.000 2.608 335 S HA 0.255 4.725 4.470 -0.000 0.000 0.261 335 S C -1.228 173.206 174.600 -0.276 0.000 1.314 335 S CA -1.045 57.012 58.200 -0.238 0.000 0.992 335 S CB 1.241 64.125 63.200 -0.527 0.000 0.935 335 S HN -0.004 nan 8.310 nan 0.000 0.564 336 P HA -0.060 nan 4.420 nan 0.000 0.215 336 P C 1.580 178.812 177.300 -0.113 0.000 1.153 336 P CA 1.951 64.972 63.100 -0.132 0.000 0.853 336 P CB -0.434 31.311 31.700 0.075 0.000 0.788 337 A N -0.765 121.962 122.820 -0.155 0.000 1.940 337 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 337 A C 2.263 179.716 177.584 -0.218 0.000 1.176 337 A CA 2.301 54.280 52.037 -0.098 0.000 0.631 337 A CB -1.424 17.474 19.000 -0.170 0.000 0.814 337 A HN 0.121 nan 8.150 nan 0.000 0.446 338 M N -0.567 118.738 119.600 -0.493 0.000 2.132 338 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 338 M C 2.058 178.166 176.300 -0.320 0.000 1.065 338 M CA 1.703 56.774 55.300 -0.382 0.000 1.122 338 M CB -0.625 31.697 32.600 -0.463 0.000 1.365 338 M HN 0.436 nan 8.290 nan 0.000 0.411 339 M N -1.897 117.426 119.600 -0.461 0.000 2.086 339 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 339 M C 1.984 177.794 176.300 -0.816 0.000 1.067 339 M CA 1.988 56.786 55.300 -0.837 0.000 1.116 339 M CB -0.727 30.985 32.600 -1.479 0.000 1.348 339 M HN 0.370 nan 8.290 nan 0.000 0.407 340 W N 0.240 121.264 121.300 -0.460 0.000 2.358 340 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 340 W C 2.753 179.378 176.519 0.177 0.000 1.208 340 W CA 1.141 58.469 57.345 -0.029 0.000 1.274 340 W CB -0.503 28.958 29.460 0.002 0.000 1.138 340 W HN 0.235 nan 8.180 nan 0.000 0.515 341 A N 0.231 123.188 122.820 0.229 0.000 1.902 341 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 341 A C 1.927 179.618 177.584 0.178 0.000 1.181 341 A CA 1.590 53.696 52.037 0.114 0.000 0.623 341 A CB -1.050 17.906 19.000 -0.073 0.000 0.818 341 A HN 0.296 nan 8.150 nan 0.000 0.443 342 L N -0.670 120.625 121.223 0.119 0.000 2.046 342 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 342 L C 2.871 179.972 176.870 0.384 0.000 1.077 342 L CA 1.118 56.067 54.840 0.183 0.000 0.747 342 L CB -1.012 41.090 42.059 0.072 0.000 0.896 342 L HN 0.472 nan 8.230 nan 0.000 0.432 343 G N -0.017 109.096 108.800 0.523 0.000 2.446 343 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.217 343 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.217 343 G C 1.500 176.813 174.900 0.689 0.000 1.168 343 G CA 0.902 46.503 45.100 0.835 0.000 0.771 343 G HN 0.303 nan 8.290 nan 0.000 0.551 344 F N 1.516 121.792 119.950 0.543 0.000 2.063 344 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 344 F C 2.498 178.466 175.800 0.281 0.000 1.109 344 F CA 1.693 59.883 58.000 0.318 0.000 1.212 344 F CB -0.290 38.840 39.000 0.215 0.000 0.973 344 F HN 0.137 nan 8.300 nan 0.000 0.480 345 I N -1.001 119.904 120.570 0.559 0.000 2.179 345 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 345 I C 2.342 178.709 176.117 0.416 0.000 1.088 345 I CA 1.649 63.252 61.300 0.505 0.000 1.357 345 I CB -0.614 37.638 38.000 0.421 0.000 1.051 345 I HN 0.234 nan 8.210 nan 0.000 0.409 346 F N 1.484 121.594 119.950 0.267 0.000 2.128 346 F HA -0.131 4.396 4.527 -0.000 0.000 0.295 346 F C 2.189 178.082 175.800 0.154 0.000 1.100 346 F CA 1.577 59.706 58.000 0.215 0.000 1.260 346 F CB -0.256 38.885 39.000 0.236 0.000 1.009 346 F HN -0.148 nan 8.300 nan 0.000 0.476 347 L N -0.929 120.305 121.223 0.018 0.000 2.141 347 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 347 L C 2.408 179.176 176.870 -0.170 0.000 1.094 347 L CA 1.344 56.108 54.840 -0.126 0.000 0.763 347 L CB -0.954 40.999 42.059 -0.175 0.000 0.908 347 L HN 0.257 nan 8.230 nan 0.000 0.437 348 F N 0.874 120.619 119.950 -0.342 0.000 2.146 348 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 348 F C 2.459 178.152 175.800 -0.179 0.000 1.096 348 F CA 1.774 59.550 58.000 -0.372 0.000 1.275 348 F CB -0.238 38.375 39.000 -0.646 0.000 1.008 348 F HN -0.107 nan 8.300 nan 0.000 0.480 349 T N 0.574 114.993 114.554 -0.225 0.000 2.652 349 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 349 T C 2.109 176.583 174.700 -0.377 0.000 1.039 349 T CA 1.877 63.812 62.100 -0.275 0.000 1.153 349 T CB -0.739 68.081 68.868 -0.081 0.000 0.863 349 T HN 0.149 nan 8.240 nan 0.000 0.428 350 V N 1.396 121.037 119.914 -0.454 0.000 2.282 350 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 350 V C 2.865 178.740 176.094 -0.364 0.000 1.057 350 V CA 2.138 64.176 62.300 -0.436 0.000 1.032 350 V CB -1.392 30.116 31.823 -0.524 0.000 0.645 350 V HN 0.629 nan 8.190 nan 0.000 0.447 351 G N -0.466 108.141 108.800 -0.321 0.000 2.422 351 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 351 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 351 G C 1.567 176.354 174.900 -0.189 0.000 1.140 351 G CA 0.897 45.854 45.100 -0.238 0.000 0.775 351 G HN 0.606 nan 8.290 nan 0.000 0.545 352 G N 0.823 109.366 108.800 -0.428 0.000 2.394 352 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 352 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 352 G C 1.784 176.589 174.900 -0.158 0.000 1.165 352 G CA 0.525 45.422 45.100 -0.337 0.000 0.784 352 G HN 0.403 nan 8.290 nan 0.000 0.535 353 L N 1.229 122.344 121.223 -0.181 0.000 2.042 353 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 353 L C 3.315 180.134 176.870 -0.085 0.000 1.076 353 L CA 1.850 56.621 54.840 -0.115 0.000 0.749 353 L CB -0.723 41.263 42.059 -0.122 0.000 0.893 353 L HN 0.435 nan 8.230 nan 0.000 0.432 354 T N -3.858 110.642 114.554 -0.089 0.000 2.995 354 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 354 T C 1.877 176.504 174.700 -0.121 0.000 1.091 354 T CA 0.709 62.791 62.100 -0.030 0.000 1.128 354 T CB -0.558 68.240 68.868 -0.118 0.000 0.891 354 T HN 0.387 nan 8.240 nan 0.000 0.492 355 G N 2.230 110.892 108.800 -0.229 0.000 2.421 355 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 355 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 355 G C 1.471 176.213 174.900 -0.265 0.000 1.171 355 G CA 0.682 45.444 45.100 -0.563 0.000 0.775 355 G HN 0.452 nan 8.290 nan 0.000 0.543 356 I N 1.077 121.570 120.570 -0.128 0.000 2.264 356 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 356 I C 2.935 179.010 176.117 -0.070 0.000 1.111 356 I CA 0.809 62.063 61.300 -0.077 0.000 1.382 356 I CB -1.035 36.941 38.000 -0.040 0.000 1.060 356 I HN 0.041 nan 8.210 nan 0.000 0.418 357 V N 0.909 120.791 119.914 -0.054 0.000 2.295 357 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 357 V C 2.554 178.604 176.094 -0.074 0.000 1.049 357 V CA 1.440 63.714 62.300 -0.043 0.000 1.024 357 V CB -0.539 31.298 31.823 0.023 0.000 0.648 357 V HN 0.326 nan 8.190 nan 0.000 0.447 358 L N 0.185 121.356 121.223 -0.086 0.000 2.201 358 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 358 L C 2.590 179.428 176.870 -0.053 0.000 1.105 358 L CA 1.216 55.999 54.840 -0.095 0.000 0.775 358 L CB -0.669 41.291 42.059 -0.166 0.000 0.913 358 L HN 0.355 nan 8.230 nan 0.000 0.440 359 A N -0.602 122.172 122.820 -0.077 0.000 2.121 359 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 359 A C 0.900 178.516 177.584 0.053 0.000 1.154 359 A CA 0.623 52.669 52.037 0.016 0.000 0.679 359 A CB -0.548 18.432 19.000 -0.032 0.000 0.795 359 A HN 0.402 nan 8.150 nan 0.000 0.458 360 N N 1.374 120.044 118.700 -0.050 0.000 2.406 360 N HA 0.060 4.800 4.740 -0.000 0.000 0.265 360 N C 1.123 176.466 175.510 -0.279 0.000 1.203 360 N CA 0.731 53.694 53.050 -0.144 0.000 0.945 360 N CB 1.051 39.467 38.487 -0.118 0.000 1.165 360 N HN 0.506 nan 8.380 nan 0.000 0.485 361 S N 1.039 116.376 115.700 -0.605 0.000 2.419 361 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 361 S C 1.919 176.259 174.600 -0.433 0.000 1.016 361 S CA 0.656 58.259 58.200 -0.995 0.000 0.974 361 S CB 0.006 62.292 63.200 -1.523 0.000 0.786 361 S HN 0.410 nan 8.310 nan 0.000 0.492 362 S N 1.703 117.231 115.700 -0.287 0.000 2.354 362 S HA 0.056 4.526 4.470 -0.000 0.000 0.219 362 S C 1.730 176.252 174.600 -0.129 0.000 1.035 362 S CA 1.363 59.461 58.200 -0.170 0.000 1.037 362 S CB -0.572 62.546 63.200 -0.136 0.000 0.956 362 S HN 0.471 nan 8.310 nan 0.000 0.428 363 L N 0.872 122.017 121.223 -0.130 0.000 2.179 363 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 363 L C 2.074 178.888 176.870 -0.094 0.000 1.096 363 L CA 1.282 56.055 54.840 -0.112 0.000 0.779 363 L CB -0.465 41.518 42.059 -0.128 0.000 0.922 363 L HN 0.324 nan 8.230 nan 0.000 0.443 364 D N 0.027 120.382 120.400 -0.074 0.000 2.182 364 D HA -0.226 4.414 4.640 -0.000 0.000 0.201 364 D C 2.141 178.474 176.300 0.056 0.000 0.986 364 D CA 0.828 54.841 54.000 0.022 0.000 0.847 364 D CB 0.202 41.100 40.800 0.164 0.000 0.942 364 D HN 0.107 nan 8.370 nan 0.000 0.467 365 I N 0.271 120.845 120.570 0.007 0.000 2.145 365 I HA -0.233 3.937 4.170 -0.000 0.000 0.244 365 I C 2.322 178.470 176.117 0.052 0.000 1.075 365 I CA 0.932 62.251 61.300 0.032 0.000 1.332 365 I CB -1.130 36.866 38.000 -0.006 0.000 1.033 365 I HN 0.077 nan 8.210 nan 0.000 0.410 366 V N 0.085 120.005 119.914 0.010 0.000 3.235 366 V HA -0.041 4.079 4.120 -0.000 0.000 0.259 366 V C 2.141 178.229 176.094 -0.010 0.000 1.133 366 V CA 0.739 63.039 62.300 -0.000 0.000 1.128 366 V CB 0.067 31.873 31.823 -0.028 0.000 0.757 366 V HN 0.308 nan 8.190 nan 0.000 0.469 367 L N -1.431 119.782 121.223 -0.018 0.000 2.556 367 L HA 0.229 4.569 4.340 -0.000 0.000 0.226 367 L C 1.119 178.015 176.870 0.044 0.000 1.089 367 L CA -0.094 54.727 54.840 -0.032 0.000 0.864 367 L CB -0.233 41.744 42.059 -0.136 0.000 1.067 367 L HN 0.346 nan 8.230 nan 0.000 0.477 368 H N 1.289 120.367 119.070 0.013 0.000 3.001 368 H HA -0.090 4.466 4.556 -0.000 0.000 0.334 368 H C 0.449 175.800 175.328 0.039 0.000 1.034 368 H CA 0.634 56.704 56.048 0.037 0.000 1.420 368 H CB 0.180 29.975 29.762 0.055 0.000 1.405 368 H HN 0.118 nan 8.280 nan 0.000 0.593 369 D N 2.297 122.288 120.400 -0.683 0.000 2.911 369 D HA -0.209 4.431 4.640 -0.000 0.000 0.227 369 D C -0.316 175.860 176.300 -0.206 0.000 1.164 369 D CA 1.404 55.129 54.000 -0.458 0.000 0.782 369 D CB -0.814 39.739 40.800 -0.413 0.000 1.094 369 D HN 0.758 nan 8.370 nan 0.000 0.425 370 T N -4.095 110.375 114.554 -0.139 0.000 2.938 370 T HA 0.409 4.759 4.350 -0.000 0.000 0.285 370 T C 1.147 175.788 174.700 -0.099 0.000 1.028 370 T CA -0.695 61.357 62.100 -0.080 0.000 1.005 370 T CB 0.934 69.797 68.868 -0.008 0.000 1.157 370 T HN -0.041 nan 8.240 nan 0.000 0.550 371 Y N -0.607 119.630 120.300 -0.105 0.000 2.556 371 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 371 Y C 2.055 177.875 175.900 -0.132 0.000 1.149 371 Y CA 1.183 59.210 58.100 -0.122 0.000 1.329 371 Y CB -0.529 37.833 38.460 -0.163 0.000 0.975 371 Y HN 0.819 nan 8.280 nan 0.000 0.561 372 Y N -0.796 119.454 120.300 -0.084 0.000 2.274 372 Y HA -0.258 4.292 4.550 -0.000 0.000 0.290 372 Y C 2.165 177.980 175.900 -0.142 0.000 1.145 372 Y CA 1.437 59.461 58.100 -0.127 0.000 1.203 372 Y CB -0.240 38.176 38.460 -0.073 0.000 0.984 372 Y HN -0.090 nan 8.280 nan 0.000 0.533 373 V N -1.435 118.503 119.914 0.040 0.000 2.307 373 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 373 V C 2.265 178.227 176.094 -0.218 0.000 1.045 373 V CA 1.630 63.962 62.300 0.053 0.000 1.024 373 V CB -0.961 30.939 31.823 0.128 0.000 0.651 373 V HN 0.264 nan 8.190 nan 0.000 0.449 374 V N 0.687 120.317 119.914 -0.474 0.000 2.324 374 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 374 V C 2.736 178.366 176.094 -0.773 0.000 1.060 374 V CA 2.206 63.928 62.300 -0.964 0.000 1.042 374 V CB -1.291 30.124 31.823 -0.680 0.000 0.650 374 V HN 0.562 nan 8.190 nan 0.000 0.450 375 A N -0.208 122.304 122.820 -0.513 0.000 1.873 375 A HA -0.273 4.047 4.320 -0.000 0.000 0.215 375 A C 2.130 179.439 177.584 -0.458 0.000 1.186 375 A CA 2.144 53.845 52.037 -0.559 0.000 0.616 375 A CB -0.858 17.480 19.000 -1.104 0.000 0.823 375 A HN 0.773 nan 8.150 nan 0.000 0.442 376 H N 0.232 118.998 119.070 -0.508 0.000 2.289 376 H HA -0.235 4.321 4.556 -0.000 0.000 0.296 376 H C 1.653 176.864 175.328 -0.194 0.000 1.091 376 H CA 2.599 58.465 56.048 -0.305 0.000 1.274 376 H CB -0.719 28.940 29.762 -0.173 0.000 1.364 376 H HN 0.615 nan 8.280 nan 0.000 0.490 377 F N -1.754 117.899 119.950 -0.494 0.000 2.416 377 F HA 0.134 4.661 4.527 -0.000 0.000 0.296 377 F C 1.955 177.362 175.800 -0.655 0.000 1.099 377 F CA 0.492 58.078 58.000 -0.690 0.000 1.427 377 F CB -0.597 38.117 39.000 -0.476 0.000 1.079 377 F HN 0.148 nan 8.300 nan 0.000 0.536 378 H N -1.144 117.516 119.070 -0.684 0.000 2.457 378 H HA -0.065 4.491 4.556 -0.000 0.000 0.294 378 H C 1.488 176.364 175.328 -0.753 0.000 1.064 378 H CA 2.126 57.639 56.048 -0.892 0.000 1.330 378 H CB -0.373 28.274 29.762 -1.857 0.000 1.395 378 H HN 0.276 nan 8.280 nan 0.000 0.541 379 Y N 0.082 120.074 120.300 -0.513 0.000 2.145 379 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 379 Y C 2.577 178.252 175.900 -0.375 0.000 1.145 379 Y CA 1.467 59.331 58.100 -0.393 0.000 1.148 379 Y CB -0.346 37.923 38.460 -0.318 0.000 0.981 379 Y HN 0.155 nan 8.280 nan 0.000 0.507 380 V N -2.626 117.132 119.914 -0.260 0.000 2.719 380 V HA -0.141 3.979 4.120 -0.000 0.000 0.252 380 V C 1.814 177.813 176.094 -0.158 0.000 1.065 380 V CA 1.383 63.571 62.300 -0.187 0.000 1.086 380 V CB -0.753 30.937 31.823 -0.222 0.000 0.700 380 V HN 0.348 nan 8.190 nan 0.000 0.467 381 L N 0.303 121.387 121.223 -0.231 0.000 2.200 381 L HA 0.093 4.433 4.340 -0.000 0.000 0.200 381 L C 2.764 179.554 176.870 -0.133 0.000 1.072 381 L CA 1.477 56.200 54.840 -0.194 0.000 0.787 381 L CB -0.330 41.571 42.059 -0.262 0.000 0.957 381 L HN 0.401 nan 8.230 nan 0.000 0.459 382 S N -0.527 115.058 115.700 -0.193 0.000 2.478 382 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 382 S C 1.574 176.139 174.600 -0.059 0.000 1.008 382 S CA 0.417 58.574 58.200 -0.070 0.000 0.928 382 S CB 0.139 63.281 63.200 -0.097 0.000 0.781 382 S HN 0.315 nan 8.310 nan 0.000 0.518 383 M N 0.095 119.499 119.600 -0.327 0.000 2.347 383 M HA 0.379 4.859 4.480 -0.000 0.000 0.302 383 M C 1.374 177.334 176.300 -0.567 0.000 1.051 383 M CA 0.041 54.879 55.300 -0.770 0.000 0.988 383 M CB 1.153 33.161 32.600 -0.987 0.000 1.475 383 M HN 0.330 nan 8.290 nan 0.000 0.530 384 G N 0.258 108.932 108.800 -0.210 0.000 2.613 384 G HA2 0.316 4.276 3.960 -0.000 0.000 0.218 384 G HA3 0.316 4.276 3.960 -0.000 0.000 0.218 384 G C 1.373 176.432 174.900 0.265 0.000 1.508 384 G CA 0.610 45.627 45.100 -0.138 0.000 0.788 384 G HN 0.280 nan 8.290 nan 0.000 0.603 385 A N 0.164 123.066 122.820 0.138 0.000 1.892 385 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 385 A C 2.532 180.221 177.584 0.174 0.000 1.188 385 A CA 2.405 54.520 52.037 0.130 0.000 0.631 385 A CB -0.876 18.117 19.000 -0.012 0.000 0.822 385 A HN 0.382 nan 8.150 nan 0.000 0.447 386 V N -1.473 118.556 119.914 0.192 0.000 2.453 386 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 386 V C 2.275 178.545 176.094 0.294 0.000 1.048 386 V CA 1.661 64.085 62.300 0.207 0.000 1.049 386 V CB -0.889 31.071 31.823 0.228 0.000 0.672 386 V HN 0.623 nan 8.190 nan 0.000 0.457 387 F N 0.503 120.570 119.950 0.195 0.000 2.171 387 F HA -0.198 4.329 4.527 -0.000 0.000 0.300 387 F C 2.501 178.418 175.800 0.195 0.000 1.090 387 F CA 0.948 59.158 58.000 0.348 0.000 1.293 387 F CB -0.329 39.071 39.000 0.668 0.000 1.013 387 F HN 0.163 nan 8.300 nan 0.000 0.486 388 A N 0.615 123.663 122.820 0.379 0.000 1.898 388 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 388 A C 2.085 179.645 177.584 -0.040 0.000 1.181 388 A CA 1.376 53.455 52.037 0.068 0.000 0.620 388 A CB -0.999 17.976 19.000 -0.043 0.000 0.819 388 A HN 0.378 nan 8.150 nan 0.000 0.442 389 I N -0.635 119.937 120.570 0.003 0.000 2.163 389 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 389 I C 2.619 178.737 176.117 0.002 0.000 1.085 389 I CA 1.354 62.669 61.300 0.025 0.000 1.347 389 I CB -0.328 37.735 38.000 0.104 0.000 1.044 389 I HN 0.271 nan 8.210 nan 0.000 0.408 390 M N 0.238 119.683 119.600 -0.258 0.000 2.132 390 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 390 M C 2.452 178.469 176.300 -0.472 0.000 1.065 390 M CA 1.791 56.746 55.300 -0.576 0.000 1.122 390 M CB -1.969 29.575 32.600 -1.759 0.000 1.365 390 M HN 0.316 nan 8.290 nan 0.000 0.411 391 G N -0.170 108.406 108.800 -0.374 0.000 2.418 391 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 391 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 391 G C 1.595 176.502 174.900 0.011 0.000 1.158 391 G CA 1.077 46.143 45.100 -0.057 0.000 0.771 391 G HN 0.554 nan 8.290 nan 0.000 0.545 392 G N 0.100 108.905 108.800 0.009 0.000 2.403 392 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 392 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 392 G C 1.582 176.764 174.900 0.470 0.000 1.154 392 G CA 0.742 45.914 45.100 0.119 0.000 0.784 392 G HN 0.332 nan 8.290 nan 0.000 0.538 393 F N 1.981 122.156 119.950 0.376 0.000 2.102 393 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 393 F C 2.717 178.681 175.800 0.274 0.000 1.105 393 F CA 1.996 60.286 58.000 0.483 0.000 1.239 393 F CB -0.303 38.894 39.000 0.329 0.000 0.991 393 F HN 0.069 nan 8.300 nan 0.000 0.474 394 V N -1.753 118.268 119.914 0.178 0.000 2.719 394 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 394 V C 2.369 178.483 176.094 0.032 0.000 1.065 394 V CA 2.124 64.450 62.300 0.043 0.000 1.086 394 V CB -1.279 30.642 31.823 0.164 0.000 0.700 394 V HN 0.496 nan 8.190 nan 0.000 0.467 395 H N -0.638 118.379 119.070 -0.087 0.000 2.326 395 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 395 H C 1.793 176.962 175.328 -0.264 0.000 1.081 395 H CA 2.370 58.279 56.048 -0.231 0.000 1.334 395 H CB -0.185 29.258 29.762 -0.531 0.000 1.385 395 H HN 0.556 nan 8.280 nan 0.000 0.504 396 W N -0.495 120.602 121.300 -0.338 0.000 3.211 396 W HA 0.056 4.716 4.660 -0.000 0.000 0.292 396 W C 1.540 177.343 176.519 -1.193 0.000 1.268 396 W CA -0.298 56.512 57.345 -0.891 0.000 1.702 396 W CB -0.781 28.013 29.460 -1.110 0.000 1.092 396 W HN 0.192 nan 8.180 nan 0.000 0.643 397 F N 2.978 122.491 119.950 -0.729 0.000 2.063 397 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 397 F C -0.668 174.839 175.800 -0.488 0.000 1.105 397 F CA 2.339 59.913 58.000 -0.711 0.000 1.215 397 F CB -1.483 37.082 39.000 -0.725 0.000 0.972 397 F HN -0.250 nan 8.300 nan 0.000 0.483 398 P HA -0.175 nan 4.420 nan 0.000 0.218 398 P C 1.834 178.962 177.300 -0.286 0.000 1.148 398 P CA 1.316 64.298 63.100 -0.197 0.000 0.822 398 P CB -0.176 31.576 31.700 0.086 0.000 0.784 399 L N -1.610 119.327 121.223 -0.477 0.000 2.056 399 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 399 L C 2.014 178.534 176.870 -0.583 0.000 1.078 399 L CA 2.035 56.484 54.840 -0.651 0.000 0.749 399 L CB -1.199 40.103 42.059 -1.262 0.000 0.901 399 L HN -0.186 nan 8.230 nan 0.000 0.433 400 F N -0.372 119.073 119.950 -0.842 0.000 2.163 400 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 400 F C 2.866 178.313 175.800 -0.589 0.000 1.094 400 F CA 1.012 58.381 58.000 -1.052 0.000 1.290 400 F CB -1.679 36.632 39.000 -1.147 0.000 1.017 400 F HN 0.356 nan 8.300 nan 0.000 0.483 401 S N -0.955 114.411 115.700 -0.557 0.000 2.421 401 S HA 0.325 4.795 4.470 -0.000 0.000 0.224 401 S C 1.987 176.294 174.600 -0.488 0.000 1.035 401 S CA 0.730 58.633 58.200 -0.495 0.000 0.953 401 S CB -0.152 62.479 63.200 -0.949 0.000 0.810 401 S HN 0.567 nan 8.310 nan 0.000 0.497 402 G N -0.205 108.314 108.800 -0.468 0.000 2.176 402 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 402 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 402 G C -0.242 174.374 174.900 -0.474 0.000 0.979 402 G CA 0.434 45.262 45.100 -0.453 0.000 0.641 402 G HN 0.558 nan 8.290 nan 0.000 0.530 403 Y N 0.973 121.173 120.300 -0.167 0.000 2.485 403 Y HA 0.657 5.207 4.550 -0.000 0.000 0.345 403 Y C 0.863 176.762 175.900 -0.001 0.000 0.998 403 Y CA -0.741 57.307 58.100 -0.087 0.000 1.059 403 Y CB 1.675 40.060 38.460 -0.124 0.000 1.234 403 Y HN 0.312 nan 8.280 nan 0.000 0.461 404 T N 0.687 115.370 114.554 0.215 0.000 2.913 404 T HA 0.687 5.037 4.350 -0.000 0.000 0.287 404 T C -0.186 174.585 174.700 0.119 0.000 1.008 404 T CA -0.786 61.411 62.100 0.162 0.000 1.067 404 T CB 0.533 69.458 68.868 0.095 0.000 0.996 404 T HN 0.493 nan 8.240 nan 0.000 0.513 405 L N 2.259 123.517 121.223 0.058 0.000 2.456 405 L HA 0.363 4.703 4.340 -0.000 0.000 0.257 405 L C 1.177 178.060 176.870 0.022 0.000 1.162 405 L CA -1.045 53.764 54.840 -0.051 0.000 0.808 405 L CB 0.338 42.333 42.059 -0.107 0.000 1.136 405 L HN 0.710 nan 8.230 nan 0.000 0.466 406 N N 1.043 119.776 118.700 0.056 0.000 2.401 406 N HA -0.027 4.713 4.740 -0.000 0.000 0.255 406 N C 0.161 175.765 175.510 0.157 0.000 1.110 406 N CA -0.049 53.084 53.050 0.138 0.000 0.949 406 N CB 1.039 39.696 38.487 0.283 0.000 1.110 406 N HN 0.523 nan 8.380 nan 0.000 0.490 407 D N 2.193 122.653 120.400 0.100 0.000 2.182 407 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 407 D C 1.200 177.556 176.300 0.095 0.000 0.986 407 D CA 1.519 55.572 54.000 0.087 0.000 0.847 407 D CB 0.222 41.052 40.800 0.050 0.000 0.942 407 D HN 0.562 nan 8.370 nan 0.000 0.467 408 T N -0.971 113.622 114.554 0.064 0.000 2.770 408 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 408 T C 1.759 176.507 174.700 0.080 0.000 1.039 408 T CA 0.734 62.835 62.100 0.001 0.000 1.142 408 T CB -0.570 68.223 68.868 -0.125 0.000 0.868 408 T HN 0.329 nan 8.240 nan 0.000 0.435 409 W N 1.427 122.789 121.300 0.105 0.000 2.325 409 W HA -0.097 4.563 4.660 -0.000 0.000 0.299 409 W C 2.817 179.444 176.519 0.180 0.000 1.215 409 W CA 0.581 58.019 57.345 0.154 0.000 1.244 409 W CB -0.193 29.373 29.460 0.178 0.000 1.140 409 W HN 0.240 nan 8.180 nan 0.000 0.523 410 A N 0.181 123.227 122.820 0.377 0.000 1.968 410 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 410 A C 1.793 179.576 177.584 0.332 0.000 1.169 410 A CA 1.485 53.739 52.037 0.362 0.000 0.638 410 A CB -0.502 18.662 19.000 0.274 0.000 0.812 410 A HN 0.289 nan 8.150 nan 0.000 0.446 411 K N -0.409 120.113 120.400 0.203 0.000 2.148 411 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 411 K C 1.613 178.317 176.600 0.173 0.000 1.050 411 K CA 1.319 57.685 56.287 0.131 0.000 0.942 411 K CB -0.335 32.189 32.500 0.040 0.000 0.724 411 K HN 0.477 nan 8.250 nan 0.000 0.446 412 I N 0.710 121.409 120.570 0.215 0.000 2.142 412 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 412 I C 2.617 178.889 176.117 0.259 0.000 1.078 412 I CA 1.363 62.796 61.300 0.222 0.000 1.343 412 I CB -0.466 37.708 38.000 0.289 0.000 1.046 412 I HN 0.306 nan 8.210 nan 0.000 0.405 413 H N 0.717 119.953 119.070 0.276 0.000 2.255 413 H HA -0.335 4.221 4.556 -0.000 0.000 0.290 413 H C 2.335 177.787 175.328 0.206 0.000 1.087 413 H CA 2.721 58.936 56.048 0.277 0.000 1.213 413 H CB -0.419 29.555 29.762 0.352 0.000 1.349 413 H HN 0.306 nan 8.280 nan 0.000 0.487 414 F N 1.351 121.187 119.950 -0.190 0.000 2.045 414 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 414 F C 2.775 178.328 175.800 -0.411 0.000 1.114 414 F CA 2.373 59.960 58.000 -0.689 0.000 1.207 414 F CB -1.040 37.429 39.000 -0.885 0.000 0.964 414 F HN 0.280 nan 8.300 nan 0.000 0.486 415 A N 0.477 123.100 122.820 -0.327 0.000 1.908 415 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 415 A C 2.330 179.798 177.584 -0.193 0.000 1.181 415 A CA 2.098 53.953 52.037 -0.304 0.000 0.627 415 A CB -1.286 17.670 19.000 -0.074 0.000 0.818 415 A HN 0.556 nan 8.150 nan 0.000 0.445 416 I N -1.606 118.905 120.570 -0.099 0.000 2.179 416 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 416 I C 2.636 178.722 176.117 -0.052 0.000 1.088 416 I CA 1.847 63.132 61.300 -0.025 0.000 1.357 416 I CB -0.257 37.777 38.000 0.056 0.000 1.051 416 I HN 0.398 nan 8.210 nan 0.000 0.409 417 M N 0.518 120.035 119.600 -0.137 0.000 2.117 417 M HA -0.251 4.229 4.480 -0.000 0.000 0.262 417 M C 2.101 178.372 176.300 -0.049 0.000 1.065 417 M CA 1.921 57.174 55.300 -0.078 0.000 1.114 417 M CB -0.615 31.928 32.600 -0.095 0.000 1.361 417 M HN 0.211 nan 8.290 nan 0.000 0.408 418 F N -0.515 119.186 119.950 -0.414 0.000 2.134 418 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 418 F C 1.801 177.535 175.800 -0.110 0.000 1.097 418 F CA 1.652 59.468 58.000 -0.308 0.000 1.264 418 F CB -0.403 38.147 39.000 -0.750 0.000 1.001 418 F HN -0.026 nan 8.300 nan 0.000 0.479 419 V N 0.423 120.382 119.914 0.076 0.000 2.307 419 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 419 V C 2.772 178.847 176.094 -0.032 0.000 1.045 419 V CA 1.927 64.248 62.300 0.036 0.000 1.024 419 V CB -1.644 30.215 31.823 0.060 0.000 0.651 419 V HN 0.539 nan 8.190 nan 0.000 0.449 420 G N 0.706 109.496 108.800 -0.016 0.000 2.514 420 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 420 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 420 G C 1.750 176.613 174.900 -0.062 0.000 1.198 420 G CA 1.875 46.964 45.100 -0.018 0.000 0.780 420 G HN 0.595 nan 8.290 nan 0.000 0.565 421 V N -0.973 118.924 119.914 -0.029 0.000 2.515 421 V HA -0.089 4.031 4.120 -0.000 0.000 0.250 421 V C 2.231 178.278 176.094 -0.077 0.000 1.058 421 V CA 2.013 64.316 62.300 0.005 0.000 1.064 421 V CB -0.592 31.323 31.823 0.153 0.000 0.675 421 V HN 0.251 nan 8.190 nan 0.000 0.461 422 N N 0.253 118.857 118.700 -0.160 0.000 2.216 422 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 422 N C 1.844 177.362 175.510 0.013 0.000 1.017 422 N CA 2.039 55.028 53.050 -0.103 0.000 0.861 422 N CB -0.245 38.107 38.487 -0.225 0.000 0.986 422 N HN 0.575 nan 8.380 nan 0.000 0.428 423 M N 0.854 120.433 119.600 -0.035 0.000 2.159 423 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 423 M C 1.580 177.838 176.300 -0.070 0.000 1.063 423 M CA 1.302 56.599 55.300 -0.004 0.000 1.110 423 M CB -0.060 32.538 32.600 -0.003 0.000 1.374 423 M HN 0.019 nan 8.290 nan 0.000 0.411 424 T N -0.163 114.253 114.554 -0.230 0.000 2.732 424 T HA -0.059 4.291 4.350 -0.000 0.000 0.261 424 T C 1.213 175.585 174.700 -0.548 0.000 1.040 424 T CA 1.520 63.316 62.100 -0.506 0.000 1.145 424 T CB -0.325 67.992 68.868 -0.919 0.000 0.866 424 T HN 0.411 nan 8.240 nan 0.000 0.427 425 F N -0.660 119.240 119.950 -0.083 0.000 2.582 425 F HA 0.323 4.850 4.527 -0.000 0.000 0.290 425 F C 1.814 177.597 175.800 -0.027 0.000 1.115 425 F CA -0.479 57.457 58.000 -0.107 0.000 1.445 425 F CB -0.209 38.683 39.000 -0.180 0.000 1.126 425 F HN 0.008 nan 8.300 nan 0.000 0.574 426 F N 2.742 122.783 119.950 0.152 0.000 2.069 426 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 426 F C -0.782 174.865 175.800 -0.255 0.000 1.113 426 F CA 1.449 59.504 58.000 0.091 0.000 1.214 426 F CB -1.665 37.368 39.000 0.056 0.000 0.978 426 F HN -0.155 nan 8.300 nan 0.000 0.474 427 P HA -0.169 nan 4.420 nan 0.000 0.222 427 P C 1.201 178.151 177.300 -0.582 0.000 1.147 427 P CA 1.528 64.306 63.100 -0.537 0.000 0.790 427 P CB -0.237 31.439 31.700 -0.041 0.000 0.780 428 Q N -1.416 118.135 119.800 -0.414 0.000 2.297 428 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 428 Q C 1.814 177.557 176.000 -0.428 0.000 0.981 428 Q CA 1.319 56.931 55.803 -0.318 0.000 0.876 428 Q CB -0.719 27.959 28.738 -0.099 0.000 0.921 428 Q HN 0.527 nan 8.270 nan 0.000 0.446 429 H N -0.801 117.852 119.070 -0.695 0.000 2.353 429 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 429 H C 1.516 176.671 175.328 -0.288 0.000 1.090 429 H CA 1.651 57.313 56.048 -0.642 0.000 1.327 429 H CB -0.133 29.038 29.762 -0.984 0.000 1.383 429 H HN 0.213 nan 8.280 nan 0.000 0.508 430 F N 0.294 120.091 119.950 -0.254 0.000 2.134 430 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 430 F C 2.270 178.022 175.800 -0.081 0.000 1.097 430 F CA 0.772 58.616 58.000 -0.260 0.000 1.264 430 F CB -1.059 37.510 39.000 -0.719 0.000 1.001 430 F HN 0.072 nan 8.300 nan 0.000 0.479 431 L N -0.278 120.977 121.223 0.053 0.000 2.083 431 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 431 L C 2.695 179.579 176.870 0.024 0.000 1.083 431 L CA 1.451 56.307 54.840 0.027 0.000 0.752 431 L CB -1.224 40.714 42.059 -0.203 0.000 0.899 431 L HN 0.286 nan 8.230 nan 0.000 0.433 432 G N -0.382 108.474 108.800 0.093 0.000 2.395 432 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 432 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 432 G C 1.588 176.562 174.900 0.124 0.000 1.177 432 G CA 0.223 45.409 45.100 0.143 0.000 0.794 432 G HN 0.193 nan 8.290 nan 0.000 0.532 433 L N 1.642 122.966 121.223 0.168 0.000 2.081 433 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 433 L C 3.061 179.996 176.870 0.108 0.000 1.080 433 L CA 1.659 56.555 54.840 0.092 0.000 0.754 433 L CB -0.324 41.815 42.059 0.133 0.000 0.893 433 L HN 0.448 nan 8.230 nan 0.000 0.433 434 S N -1.061 114.746 115.700 0.179 0.000 2.593 434 S HA 0.188 4.658 4.470 -0.000 0.000 0.217 434 S C 1.352 176.123 174.600 0.284 0.000 0.966 434 S CA 0.324 58.672 58.200 0.248 0.000 0.914 434 S CB 0.541 63.960 63.200 0.365 0.000 0.776 434 S HN 0.557 nan 8.310 nan 0.000 0.523 435 G N 1.245 110.131 108.800 0.143 0.000 2.135 435 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.183 435 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.183 435 G C -0.173 174.698 174.900 -0.050 0.000 1.004 435 G CA 0.004 45.153 45.100 0.083 0.000 0.677 435 G HN 0.603 nan 8.290 nan 0.000 0.512 436 M N 1.534 120.944 119.600 -0.317 0.000 2.194 436 M HA 0.413 4.893 4.480 -0.000 0.000 0.347 436 M C -2.064 174.074 176.300 -0.270 0.000 1.439 436 M CA -1.543 53.387 55.300 -0.616 0.000 1.131 436 M CB 0.663 32.646 32.600 -1.029 0.000 1.733 436 M HN -0.021 nan 8.290 nan 0.000 0.467 437 P HA 0.113 nan 4.420 nan 0.000 0.270 437 P C -1.101 176.062 177.300 -0.229 0.000 1.223 437 P CA 0.062 62.901 63.100 -0.434 0.000 0.785 437 P CB 0.480 31.592 31.700 -0.980 0.000 0.923 438 R N 1.187 121.584 120.500 -0.172 0.000 2.649 438 R HA 0.395 4.735 4.340 -0.000 0.000 0.270 438 R C 0.475 176.855 176.300 0.132 0.000 1.105 438 R CA -0.556 55.466 56.100 -0.130 0.000 1.193 438 R CB 0.053 30.244 30.300 -0.181 0.000 1.120 438 R HN 0.368 nan 8.270 nan 0.000 0.561 439 R N -0.940 119.714 120.500 0.258 0.000 3.770 439 R HA -0.230 4.110 4.340 -0.000 0.000 0.305 439 R C -1.059 175.605 176.300 0.606 0.000 1.184 439 R CA 0.777 57.119 56.100 0.403 0.000 0.823 439 R CB -2.020 28.437 30.300 0.262 0.000 1.285 439 R HN 0.560 nan 8.270 nan 0.000 0.499 440 Y N -0.435 120.029 120.300 0.274 0.000 2.330 440 Y HA 0.116 4.666 4.550 -0.000 0.000 0.336 440 Y C 1.727 177.554 175.900 -0.122 0.000 1.036 440 Y CA -0.201 57.972 58.100 0.122 0.000 1.125 440 Y CB 1.543 40.088 38.460 0.142 0.000 1.194 440 Y HN 0.146 nan 8.280 nan 0.000 0.469 441 S N 0.052 115.541 115.700 -0.352 0.000 2.527 441 S HA 0.023 4.493 4.470 -0.000 0.000 0.222 441 S C -0.129 174.247 174.600 -0.372 0.000 0.985 441 S CA 0.422 58.142 58.200 -0.799 0.000 0.921 441 S CB 0.105 62.874 63.200 -0.718 0.000 0.772 441 S HN 0.728 nan 8.310 nan 0.000 0.529 442 D N -0.621 119.674 120.400 -0.176 0.000 2.653 442 D HA 0.495 5.135 4.640 -0.000 0.000 0.258 442 D C -1.804 174.479 176.300 -0.028 0.000 1.252 442 D CA -0.799 53.044 54.000 -0.262 0.000 0.777 442 D CB 1.321 41.949 40.800 -0.287 0.000 1.339 442 D HN 0.211 nan 8.370 nan 0.000 0.422 443 Y N -1.687 118.687 120.300 0.124 0.000 2.562 443 Y HA 0.749 5.299 4.550 -0.000 0.000 0.345 443 Y C -2.702 173.339 175.900 0.234 0.000 1.045 443 Y CA -2.482 55.762 58.100 0.240 0.000 1.028 443 Y CB 0.068 38.660 38.460 0.220 0.000 1.297 443 Y HN 0.059 nan 8.280 nan 0.000 0.463 444 P HA 0.037 nan 4.420 nan 0.000 0.266 444 P C 0.121 177.578 177.300 0.261 0.000 1.193 444 P CA 0.273 63.540 63.100 0.278 0.000 0.770 444 P CB 0.895 32.721 31.700 0.211 0.000 0.836 445 D N 1.950 122.411 120.400 0.101 0.000 2.172 445 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 445 D C 1.893 178.201 176.300 0.013 0.000 0.999 445 D CA 1.989 56.034 54.000 0.075 0.000 0.856 445 D CB -0.688 40.114 40.800 0.004 0.000 0.934 445 D HN 0.416 nan 8.370 nan 0.000 0.453 446 A N 0.138 122.875 122.820 -0.139 0.000 2.032 446 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 446 A C 1.449 178.874 177.584 -0.265 0.000 1.165 446 A CA 1.060 52.938 52.037 -0.265 0.000 0.645 446 A CB -0.963 17.797 19.000 -0.399 0.000 0.807 446 A HN 0.290 nan 8.150 nan 0.000 0.453 447 Y N 0.489 120.813 120.300 0.040 0.000 2.502 447 Y HA 0.036 4.586 4.550 -0.000 0.000 0.295 447 Y C 2.374 178.112 175.900 -0.271 0.000 1.193 447 Y CA 0.655 58.697 58.100 -0.096 0.000 1.295 447 Y CB -1.120 37.246 38.460 -0.155 0.000 1.059 447 Y HN 0.236 nan 8.280 nan 0.000 0.514 448 T N -0.170 114.383 114.554 -0.001 0.000 2.737 448 T HA -0.233 4.117 4.350 -0.000 0.000 0.265 448 T C 2.094 176.723 174.700 -0.117 0.000 1.038 448 T CA 1.439 63.561 62.100 0.037 0.000 1.144 448 T CB -0.224 68.721 68.868 0.127 0.000 0.866 448 T HN 0.424 nan 8.240 nan 0.000 0.434 449 M N -0.364 119.084 119.600 -0.252 0.000 2.080 449 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 449 M C 1.855 178.024 176.300 -0.218 0.000 1.068 449 M CA 1.854 56.945 55.300 -0.348 0.000 1.109 449 M CB -0.238 31.972 32.600 -0.651 0.000 1.342 449 M HN 0.411 nan 8.290 nan 0.000 0.405 450 W N 0.309 121.590 121.300 -0.032 0.000 2.402 450 W HA -0.106 4.554 4.660 -0.000 0.000 0.286 450 W C 2.162 178.600 176.519 -0.135 0.000 1.221 450 W CA 0.074 57.401 57.345 -0.030 0.000 1.257 450 W CB -0.542 28.935 29.460 0.029 0.000 1.120 450 W HN 0.303 nan 8.180 nan 0.000 0.551 451 N N -0.067 118.595 118.700 -0.063 0.000 2.270 451 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 451 N C 1.497 176.975 175.510 -0.054 0.000 1.016 451 N CA 1.852 54.783 53.050 -0.198 0.000 0.870 451 N CB -0.471 37.678 38.487 -0.563 0.000 0.979 451 N HN 0.108 nan 8.380 nan 0.000 0.431 452 T N 1.977 116.521 114.554 -0.016 0.000 2.643 452 T HA -0.024 4.326 4.350 -0.000 0.000 0.264 452 T C 2.174 176.885 174.700 0.018 0.000 1.045 452 T CA 0.762 62.868 62.100 0.010 0.000 1.155 452 T CB -0.220 68.645 68.868 -0.005 0.000 0.863 452 T HN 0.145 nan 8.240 nan 0.000 0.420 453 I N 1.270 121.872 120.570 0.054 0.000 2.163 453 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 453 I C 2.842 178.982 176.117 0.039 0.000 1.085 453 I CA 1.302 62.650 61.300 0.080 0.000 1.347 453 I CB -0.439 37.676 38.000 0.193 0.000 1.044 453 I HN 0.265 nan 8.210 nan 0.000 0.408 454 S N 0.170 115.879 115.700 0.016 0.000 2.368 454 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 454 S C 2.193 176.740 174.600 -0.088 0.000 1.030 454 S CA 2.090 60.241 58.200 -0.081 0.000 0.999 454 S CB -0.246 62.872 63.200 -0.137 0.000 0.844 454 S HN 0.429 nan 8.310 nan 0.000 0.459 455 S N 1.408 117.093 115.700 -0.025 0.000 2.402 455 S HA 0.022 4.492 4.470 -0.000 0.000 0.229 455 S C 1.872 176.536 174.600 0.106 0.000 1.021 455 S CA 1.523 59.748 58.200 0.042 0.000 0.974 455 S CB -0.389 62.855 63.200 0.073 0.000 0.800 455 S HN 0.566 nan 8.310 nan 0.000 0.484 456 M N 1.054 120.679 119.600 0.042 0.000 2.175 456 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 456 M C 2.567 178.916 176.300 0.082 0.000 1.063 456 M CA 1.396 56.719 55.300 0.040 0.000 1.119 456 M CB -1.009 31.586 32.600 -0.008 0.000 1.377 456 M HN 0.442 nan 8.290 nan 0.000 0.415 457 G N 0.632 109.444 108.800 0.019 0.000 2.469 457 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 457 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 457 G C 1.660 176.551 174.900 -0.016 0.000 1.150 457 G CA 1.453 46.539 45.100 -0.024 0.000 0.763 457 G HN 0.572 nan 8.290 nan 0.000 0.561 458 S N -0.189 115.502 115.700 -0.015 0.000 2.423 458 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 458 S C 2.070 176.669 174.600 -0.002 0.000 1.014 458 S CA 0.867 59.041 58.200 -0.045 0.000 0.965 458 S CB -0.505 62.645 63.200 -0.082 0.000 0.785 458 S HN 0.294 nan 8.310 nan 0.000 0.495 459 F N 1.558 121.483 119.950 -0.041 0.000 2.206 459 F HA 0.220 4.747 4.527 -0.000 0.000 0.298 459 F C 2.209 178.008 175.800 -0.003 0.000 1.090 459 F CA 0.756 58.747 58.000 -0.016 0.000 1.323 459 F CB -0.280 38.713 39.000 -0.011 0.000 1.028 459 F HN 0.173 nan 8.300 nan 0.000 0.492 460 I N -0.906 119.759 120.570 0.160 0.000 2.163 460 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 460 I C 2.389 178.545 176.117 0.065 0.000 1.085 460 I CA 1.316 62.673 61.300 0.095 0.000 1.347 460 I CB -0.671 37.367 38.000 0.064 0.000 1.044 460 I HN 0.020 nan 8.210 nan 0.000 0.408 461 S N 0.868 116.591 115.700 0.039 0.000 2.368 461 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 461 S C 1.940 176.562 174.600 0.036 0.000 1.030 461 S CA 1.223 59.449 58.200 0.043 0.000 0.999 461 S CB -0.445 62.777 63.200 0.036 0.000 0.844 461 S HN 0.325 nan 8.310 nan 0.000 0.459 462 L N 1.980 123.185 121.223 -0.029 0.000 2.043 462 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 462 L C 2.170 179.046 176.870 0.009 0.000 1.075 462 L CA 2.006 56.809 54.840 -0.062 0.000 0.752 462 L CB -1.377 40.556 42.059 -0.210 0.000 0.891 462 L HN 0.230 nan 8.230 nan 0.000 0.432 463 T N -0.205 114.375 114.554 0.043 0.000 2.788 463 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 463 T C 1.921 176.690 174.700 0.115 0.000 1.044 463 T CA 1.222 63.366 62.100 0.072 0.000 1.139 463 T CB -0.573 68.346 68.868 0.085 0.000 0.867 463 T HN 0.553 nan 8.240 nan 0.000 0.454 464 A N 0.977 123.882 122.820 0.141 0.000 1.933 464 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 464 A C 2.567 180.337 177.584 0.310 0.000 1.175 464 A CA 1.267 53.458 52.037 0.258 0.000 0.628 464 A CB -0.935 18.172 19.000 0.177 0.000 0.814 464 A HN 0.368 nan 8.150 nan 0.000 0.444 465 V N -0.145 119.877 119.914 0.181 0.000 2.453 465 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 465 V C 2.615 178.749 176.094 0.067 0.000 1.048 465 V CA 2.084 64.463 62.300 0.131 0.000 1.049 465 V CB -0.658 31.204 31.823 0.064 0.000 0.672 465 V HN 0.566 nan 8.190 nan 0.000 0.457 466 M N -0.954 118.678 119.600 0.053 0.000 2.132 466 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 466 M C 2.248 178.576 176.300 0.047 0.000 1.065 466 M CA 1.704 57.020 55.300 0.027 0.000 1.122 466 M CB -0.503 32.102 32.600 0.008 0.000 1.365 466 M HN 0.314 nan 8.290 nan 0.000 0.411 467 L N 0.634 121.902 121.223 0.074 0.000 2.079 467 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 467 L C 2.508 179.417 176.870 0.064 0.000 1.081 467 L CA 1.716 56.609 54.840 0.089 0.000 0.752 467 L CB -0.480 41.675 42.059 0.158 0.000 0.896 467 L HN 0.304 nan 8.230 nan 0.000 0.433 468 M N -1.918 117.653 119.600 -0.049 0.000 2.159 468 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 468 M C 2.012 178.250 176.300 -0.104 0.000 1.063 468 M CA 1.776 56.923 55.300 -0.255 0.000 1.110 468 M CB -0.057 32.311 32.600 -0.386 0.000 1.374 468 M HN 0.155 nan 8.290 nan 0.000 0.411 469 V N 0.746 120.648 119.914 -0.019 0.000 2.343 469 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 469 V C 2.187 178.320 176.094 0.065 0.000 1.051 469 V CA 2.153 64.471 62.300 0.029 0.000 1.036 469 V CB -1.075 30.772 31.823 0.039 0.000 0.654 469 V HN 0.624 nan 8.190 nan 0.000 0.451 470 F N 0.775 120.690 119.950 -0.058 0.000 2.095 470 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 470 F C 2.087 177.881 175.800 -0.011 0.000 1.104 470 F CA 1.775 59.742 58.000 -0.055 0.000 1.232 470 F CB -0.383 38.495 39.000 -0.204 0.000 0.987 470 F HN 0.079 nan 8.300 nan 0.000 0.475 471 I N 0.299 120.611 120.570 -0.429 0.000 2.208 471 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 471 I C 2.369 178.266 176.117 -0.367 0.000 1.097 471 I CA 1.561 62.576 61.300 -0.475 0.000 1.363 471 I CB -0.467 37.413 38.000 -0.199 0.000 1.051 471 I HN 0.195 nan 8.210 nan 0.000 0.413 472 I N -0.681 119.768 120.570 -0.202 0.000 2.179 472 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 472 I C 2.437 178.560 176.117 0.010 0.000 1.088 472 I CA 1.526 62.757 61.300 -0.115 0.000 1.357 472 I CB -0.551 37.511 38.000 0.103 0.000 1.051 472 I HN 0.394 nan 8.210 nan 0.000 0.409 473 W N 2.404 123.625 121.300 -0.131 0.000 2.302 473 W HA -0.302 4.358 4.660 -0.000 0.000 0.320 473 W C 2.601 179.011 176.519 -0.181 0.000 1.241 473 W CA 2.203 59.496 57.345 -0.087 0.000 1.264 473 W CB -0.271 29.117 29.460 -0.120 0.000 1.154 473 W HN 0.095 nan 8.180 nan 0.000 0.483 474 E N 0.550 120.463 120.200 -0.479 0.000 2.085 474 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 474 E C 2.113 178.401 176.600 -0.519 0.000 0.994 474 E CA 1.833 57.828 56.400 -0.674 0.000 0.801 474 E CB -0.653 28.688 29.700 -0.599 0.000 0.743 474 E HN 0.343 nan 8.360 nan 0.000 0.453 475 A N 0.159 122.737 122.820 -0.403 0.000 1.877 475 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 475 A C 2.190 179.522 177.584 -0.421 0.000 1.186 475 A CA 1.390 53.224 52.037 -0.337 0.000 0.620 475 A CB -1.072 17.721 19.000 -0.344 0.000 0.822 475 A HN 0.333 nan 8.150 nan 0.000 0.443 476 F N -0.184 119.600 119.950 -0.278 0.000 2.259 476 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 476 F C 2.730 178.217 175.800 -0.522 0.000 1.088 476 F CA 0.641 58.431 58.000 -0.351 0.000 1.358 476 F CB -0.015 38.905 39.000 -0.132 0.000 1.040 476 F HN 0.292 nan 8.300 nan 0.000 0.505 477 A N -0.558 121.933 122.820 -0.549 0.000 1.872 477 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 477 A C 2.263 179.594 177.584 -0.420 0.000 1.187 477 A CA 1.924 53.575 52.037 -0.644 0.000 0.614 477 A CB -0.887 17.345 19.000 -1.281 0.000 0.826 477 A HN 0.282 nan 8.150 nan 0.000 0.442 478 S N -0.600 114.866 115.700 -0.389 0.000 2.414 478 S HA 0.040 4.510 4.470 -0.000 0.000 0.227 478 S C 0.424 174.884 174.600 -0.233 0.000 1.022 478 S CA 0.647 58.701 58.200 -0.243 0.000 0.958 478 S CB -0.156 62.942 63.200 -0.169 0.000 0.797 478 S HN 0.563 nan 8.310 nan 0.000 0.493 479 K N 1.152 121.319 120.400 -0.389 0.000 3.393 479 K HA -0.155 4.165 4.320 -0.000 0.000 0.272 479 K C -1.038 175.525 176.600 -0.061 0.000 1.004 479 K CA 0.263 56.268 56.287 -0.469 0.000 0.764 479 K CB -1.204 31.090 32.500 -0.344 0.000 1.373 479 K HN 0.389 nan 8.250 nan 0.000 0.458 480 R N 1.871 122.381 120.500 0.017 0.000 2.308 480 R HA 0.118 4.458 4.340 -0.000 0.000 0.325 480 R C 0.105 176.540 176.300 0.225 0.000 1.161 480 R CA -0.228 55.933 56.100 0.102 0.000 1.022 480 R CB 0.492 30.827 30.300 0.058 0.000 1.091 480 R HN 0.275 nan 8.270 nan 0.000 0.497 481 E N 1.355 121.691 120.200 0.227 0.000 2.390 481 E HA 0.078 4.428 4.350 -0.000 0.000 0.261 481 E C -0.133 176.518 176.600 0.085 0.000 1.076 481 E CA -0.442 56.061 56.400 0.171 0.000 0.905 481 E CB 1.138 30.907 29.700 0.116 0.000 0.984 481 E HN 0.169 nan 8.360 nan 0.000 0.427 482 V N 3.952 123.889 119.914 0.038 0.000 2.521 482 V HA -0.063 4.057 4.120 -0.000 0.000 0.286 482 V C 1.165 177.275 176.094 0.028 0.000 1.034 482 V CA 0.396 62.715 62.300 0.032 0.000 1.045 482 V CB 0.581 32.424 31.823 0.033 0.000 0.974 482 V HN 0.688 nan 8.190 nan 0.000 0.480 483 L N 3.082 124.319 121.223 0.023 0.000 2.208 483 L HA 0.209 4.549 4.340 -0.000 0.000 0.196 483 L C 0.913 177.789 176.870 0.010 0.000 1.130 483 L CA 1.060 55.911 54.840 0.018 0.000 0.791 483 L CB 0.518 42.587 42.059 0.016 0.000 0.969 483 L HN 0.638 nan 8.230 nan 0.000 0.468 484 T N 0.189 114.741 114.554 -0.005 0.000 2.824 484 T HA 0.476 4.826 4.350 -0.000 0.000 0.282 484 T C -0.692 173.971 174.700 -0.062 0.000 0.993 484 T CA -0.262 61.825 62.100 -0.020 0.000 0.967 484 T CB 2.500 71.356 68.868 -0.019 0.000 0.960 484 T HN -0.193 nan 8.240 nan 0.000 0.441 485 V N 3.674 123.538 119.914 -0.084 0.000 2.513 485 V HA 0.403 4.523 4.120 -0.000 0.000 0.299 485 V C 0.089 176.090 176.094 -0.156 0.000 1.035 485 V CA -0.867 61.310 62.300 -0.205 0.000 0.889 485 V CB 1.908 33.548 31.823 -0.306 0.000 0.988 485 V HN 0.807 nan 8.190 nan 0.000 0.440 486 D N 2.485 122.782 120.400 -0.171 0.000 2.312 486 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 486 D C 0.782 176.975 176.300 -0.180 0.000 1.086 486 D CA -0.121 53.782 54.000 -0.161 0.000 0.948 486 D CB 1.358 42.033 40.800 -0.207 0.000 1.162 486 D HN 0.542 nan 8.370 nan 0.000 0.446 487 L N 0.856 121.970 121.223 -0.181 0.000 3.843 487 L HA -0.306 4.034 4.340 -0.000 0.000 0.411 487 L C 1.711 178.584 176.870 0.006 0.000 1.205 487 L CA 0.645 55.389 54.840 -0.160 0.000 0.945 487 L CB -2.344 39.479 42.059 -0.394 0.000 1.929 487 L HN 0.534 nan 8.230 nan 0.000 0.934 488 T N -5.297 109.283 114.554 0.044 0.000 2.929 488 T HA -0.170 4.180 4.350 -0.000 0.000 0.271 488 T C 1.742 176.535 174.700 0.156 0.000 1.085 488 T CA 1.440 63.630 62.100 0.151 0.000 1.125 488 T CB -0.413 68.544 68.868 0.148 0.000 0.874 488 T HN 0.614 nan 8.240 nan 0.000 0.494 489 T N 0.702 115.312 114.554 0.094 0.000 2.929 489 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 489 T C 1.755 176.523 174.700 0.114 0.000 1.085 489 T CA 1.445 63.601 62.100 0.093 0.000 1.125 489 T CB -0.936 67.965 68.868 0.054 0.000 0.874 489 T HN 0.650 nan 8.240 nan 0.000 0.494 490 T N -1.122 113.507 114.554 0.126 0.000 3.228 490 T HA 0.343 4.693 4.350 -0.000 0.000 0.278 490 T C 0.107 174.954 174.700 0.245 0.000 1.014 490 T CA -0.837 61.352 62.100 0.147 0.000 0.904 490 T CB -0.141 68.784 68.868 0.094 0.000 1.110 490 T HN 0.274 nan 8.240 nan 0.000 0.541 491 N N 1.436 120.324 118.700 0.313 0.000 2.725 491 N HA 0.184 4.924 4.740 -0.000 0.000 0.248 491 N C 0.335 176.128 175.510 0.471 0.000 1.402 491 N CA -0.273 53.062 53.050 0.475 0.000 0.766 491 N CB 1.747 40.629 38.487 0.657 0.000 1.223 491 N HN 0.077 nan 8.380 nan 0.000 0.515 492 L N 2.049 123.487 121.223 0.359 0.000 2.187 492 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 492 L C 2.378 179.453 176.870 0.342 0.000 1.100 492 L CA 1.958 56.992 54.840 0.324 0.000 0.765 492 L CB -0.107 42.111 42.059 0.265 0.000 0.904 492 L HN 0.419 nan 8.230 nan 0.000 0.437 493 E N -1.423 118.958 120.200 0.302 0.000 2.333 493 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 493 E C 1.630 178.259 176.600 0.049 0.000 1.007 493 E CA 1.416 57.909 56.400 0.154 0.000 0.845 493 E CB -0.929 28.774 29.700 0.005 0.000 0.766 493 E HN 0.705 nan 8.360 nan 0.000 0.507 494 W N 0.256 121.677 121.300 0.201 0.000 3.047 494 W HA 0.179 4.839 4.660 -0.000 0.000 0.250 494 W C 1.619 178.202 176.519 0.106 0.000 1.314 494 W CA -0.459 56.964 57.345 0.129 0.000 1.540 494 W CB 0.002 29.526 29.460 0.107 0.000 1.127 494 W HN 0.067 nan 8.180 nan 0.000 0.679 495 L N 0.909 122.321 121.223 0.315 0.000 2.552 495 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 495 L C 1.222 178.167 176.870 0.125 0.000 1.146 495 L CA 1.412 56.386 54.840 0.223 0.000 0.858 495 L CB -0.610 41.584 42.059 0.225 0.000 0.969 495 L HN 0.007 nan 8.230 nan 0.000 0.451 496 N N -0.133 118.620 118.700 0.088 0.000 2.214 496 N HA 0.230 4.970 4.740 -0.000 0.000 0.214 496 N C 0.607 176.139 175.510 0.037 0.000 1.132 496 N CA 0.766 53.815 53.050 -0.002 0.000 0.856 496 N CB 0.714 39.134 38.487 -0.113 0.000 1.020 496 N HN 0.297 nan 8.380 nan 0.000 0.509 497 G N 0.476 109.331 108.800 0.093 0.000 2.756 497 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.678 497 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.678 497 G C -0.709 174.242 174.900 0.084 0.000 1.349 497 G CA -0.746 44.409 45.100 0.091 0.000 0.847 497 G HN 0.261 nan 8.290 nan 0.000 0.548 498 C N 2.563 121.902 119.300 0.064 0.000 2.301 498 C HA 0.734 5.194 4.460 -0.000 0.000 0.323 498 C C -1.275 173.677 174.990 -0.063 0.000 1.265 498 C CA -0.983 58.039 59.018 0.005 0.000 1.503 498 C CB 1.084 28.846 27.740 0.037 0.000 2.195 498 C HN 0.826 nan 8.230 nan 0.000 0.477 499 P HA 0.366 nan 4.420 nan 0.000 0.276 499 P C -2.574 174.761 177.300 0.058 0.000 1.244 499 P CA -1.186 61.918 63.100 0.007 0.000 0.801 499 P CB 0.317 32.050 31.700 0.055 0.000 1.006 500 P HA 0.242 nan 4.420 nan 0.000 0.274 500 P C -2.369 174.955 177.300 0.040 0.000 1.246 500 P CA -1.457 61.682 63.100 0.065 0.000 0.795 500 P CB -1.010 30.742 31.700 0.087 0.000 1.006 501 P HA -0.011 nan 4.420 nan 0.000 0.271 501 P C 0.831 178.123 177.300 -0.013 0.000 1.244 501 P CA -0.064 63.047 63.100 0.018 0.000 0.793 501 P CB 0.326 32.040 31.700 0.023 0.000 0.984 502 Y N 0.458 120.668 120.300 -0.149 0.000 2.053 502 Y HA -0.230 4.320 4.550 -0.000 0.000 0.277 502 Y C 1.204 176.908 175.900 -0.326 0.000 1.159 502 Y CA 1.760 59.688 58.100 -0.287 0.000 1.125 502 Y CB -0.188 38.073 38.460 -0.331 0.000 0.969 502 Y HN 0.301 nan 8.280 nan 0.000 0.492 503 H N 0.872 119.965 119.070 0.038 0.000 2.597 503 H HA 0.273 4.829 4.556 -0.000 0.000 0.303 503 H C -0.070 175.234 175.328 -0.040 0.000 1.057 503 H CA 0.180 56.215 56.048 -0.021 0.000 1.261 503 H CB 0.610 30.407 29.762 0.058 0.000 1.397 503 H HN 0.214 nan 8.280 nan 0.000 0.461 504 T N -0.802 113.788 114.554 0.061 0.000 2.952 504 T HA 0.325 4.675 4.350 -0.000 0.000 0.286 504 T C 0.278 174.970 174.700 -0.015 0.000 1.024 504 T CA -0.780 61.250 62.100 -0.117 0.000 1.029 504 T CB 1.168 69.885 68.868 -0.251 0.000 1.094 504 T HN 0.414 nan 8.240 nan 0.000 0.515 505 F N -0.615 119.372 119.950 0.061 0.000 3.100 505 F HA -0.206 4.321 4.527 -0.000 0.000 0.283 505 F C 1.309 177.121 175.800 0.020 0.000 0.900 505 F CA 0.452 58.475 58.000 0.038 0.000 1.010 505 F CB -2.559 36.453 39.000 0.021 0.000 1.029 505 F HN 0.805 nan 8.300 nan 0.000 0.637 506 E N 0.227 120.485 120.200 0.097 0.000 2.160 506 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 506 E C 1.116 177.749 176.600 0.055 0.000 0.991 506 E CA 1.409 57.837 56.400 0.045 0.000 0.810 506 E CB 0.058 29.760 29.700 0.003 0.000 0.742 506 E HN 0.637 nan 8.360 nan 0.000 0.466 507 E N 1.388 121.635 120.200 0.079 0.000 2.113 507 E HA 0.174 4.524 4.350 -0.000 0.000 0.273 507 E C -2.460 174.236 176.600 0.160 0.000 0.924 507 E CA -2.731 53.723 56.400 0.090 0.000 0.764 507 E CB 1.079 30.820 29.700 0.069 0.000 1.104 507 E HN -0.186 nan 8.360 nan 0.000 0.406 508 P HA 0.040 nan 4.420 nan 0.000 0.273 508 P C -0.395 177.024 177.300 0.198 0.000 1.250 508 P CA -0.410 62.790 63.100 0.167 0.000 0.793 508 P CB 0.380 32.119 31.700 0.065 0.000 1.011 509 T N -2.089 112.570 114.554 0.175 0.000 2.813 509 T HA 0.175 4.525 4.350 -0.000 0.000 0.297 509 T C -0.620 174.179 174.700 0.165 0.000 1.036 509 T CA -0.179 62.033 62.100 0.187 0.000 1.044 509 T CB 0.055 69.000 68.868 0.129 0.000 0.993 509 T HN 0.324 nan 8.240 nan 0.000 0.535 510 Y N 1.267 121.600 120.300 0.056 0.000 2.331 510 Y HA 0.551 5.101 4.550 -0.000 0.000 0.338 510 Y C -1.251 174.667 175.900 0.029 0.000 0.976 510 Y CA -1.103 57.019 58.100 0.036 0.000 1.137 510 Y CB 0.941 39.424 38.460 0.038 0.000 1.172 510 Y HN 0.582 nan 8.280 nan 0.000 0.478 511 V N 6.324 126.063 119.914 -0.291 0.000 2.488 511 V HA 0.239 4.359 4.120 -0.000 0.000 0.293 511 V C -0.600 175.285 176.094 -0.349 0.000 1.027 511 V CA -1.305 60.877 62.300 -0.196 0.000 0.862 511 V CB 1.370 33.141 31.823 -0.086 0.000 1.008 511 V HN 0.837 nan 8.190 nan 0.000 0.428 512 N N 3.111 121.650 118.700 -0.268 0.000 2.458 512 N HA 0.173 4.913 4.740 -0.000 0.000 0.258 512 N C 1.098 176.548 175.510 -0.100 0.000 1.219 512 N CA -0.245 52.699 53.050 -0.177 0.000 0.902 512 N CB 1.083 39.565 38.487 -0.009 0.000 1.076 512 N HN 0.636 nan 8.380 nan 0.000 0.455 513 L N 2.163 123.332 121.223 -0.090 0.000 2.005 513 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 513 L C 0.706 177.564 176.870 -0.020 0.000 1.072 513 L CA 1.550 56.361 54.840 -0.047 0.000 0.744 513 L CB -0.195 41.838 42.059 -0.043 0.000 0.895 513 L HN 0.765 nan 8.230 nan 0.000 0.433 514 K N 0.000 120.394 120.400 -0.010 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.291 56.287 0.006 0.000 0.838 514 K CB 0.000 32.505 32.500 0.009 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543