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 3nud_1_A DATA FIRST_RESID 3 DATA SEQUENCE WTVDIPIXXX PSLPPLPTDL RTRLDAALAK PAAQQPTWPA DQALAMRTVL DATA SEQUENCE ESVPPVTVPS EIVRLQEQLA QVAKGEAFLL QGGDCAETFM DNTEPHIRGN DATA SEQUENCE VRALLQMAVV LTYGASMPVV KVARIAGQYA KPRSADIDAL GLRSYRGDMI DATA SEQUENCE NGFAPDAAAR EHDPSRLVRA YANASAAMNL VRALTSSGLA SLHLVHDWNR DATA SEQUENCE EFVRTSPAGA RYEALATEID RGLRFMSACG VADRNLQTAE IYASHEALVL DATA SEQUENCE DYERAMLRLS DGDDGEPQLF DLSAHTVWIG ERTRQIDGAH IAFAQVIANP DATA SEQUENCE VGVKLGPNMT PELAVEYVER LDPHNKPGRL TLVSRMGNHK VRDLLPPIVE DATA SEQUENCE KVQATGHQVI WQCDPMHGNT HESSTGFKTR HFDRIVDEVQ GFFEVHRALG DATA SEQUENCE THPGGIHVEI TGENVTXXXX XXXXXXXXXX XXXYETACDP RLNTQQSLEL DATA SEQUENCE AFLVAEMLRD 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.529 176.519 0.017 0.000 1.175 3 W CA 0.000 57.354 57.345 0.014 0.000 1.226 3 W CB 0.000 29.467 29.460 0.012 0.000 1.126 4 T N -0.951 113.613 114.554 0.017 0.000 2.797 4 T HA 0.829 5.179 4.350 0.000 0.000 0.267 4 T C 0.006 174.713 174.700 0.011 0.000 0.986 4 T CA 0.135 62.246 62.100 0.018 0.000 0.999 4 T CB 1.005 69.888 68.868 0.024 0.000 1.508 4 T HN 2.209 nan 8.240 nan 0.000 0.595 5 V N -0.453 119.467 119.914 0.009 0.000 3.055 5 V HA 0.319 4.439 4.120 0.000 0.000 0.249 5 V C -1.085 175.009 176.094 -0.000 0.000 1.006 5 V CA -1.386 60.916 62.300 0.003 0.000 0.960 5 V CB 0.232 32.056 31.823 0.000 0.000 1.030 5 V HN 1.085 nan 8.190 nan 0.000 0.508 6 D N 4.275 124.675 120.400 0.000 0.000 2.400 6 D HA 0.444 5.084 4.640 0.000 0.000 0.238 6 D C -0.082 176.213 176.300 -0.008 0.000 1.157 6 D CA 0.047 54.045 54.000 -0.003 0.000 0.889 6 D CB 2.162 42.961 40.800 -0.002 0.000 1.199 6 D HN 0.613 nan 8.370 nan 0.000 0.436 7 I N 0.861 121.423 120.570 -0.012 0.000 2.529 7 I HA 0.159 4.329 4.170 0.000 0.000 0.284 7 I C -2.014 174.095 176.117 -0.014 0.000 1.088 7 I CA -1.827 59.465 61.300 -0.013 0.000 1.062 7 I CB 1.671 39.661 38.000 -0.017 0.000 1.218 7 I HN 0.197 nan 8.210 nan 0.000 0.442 8 P HA 0.290 nan 4.420 nan 0.000 0.275 8 P C -0.531 176.759 177.300 -0.016 0.000 1.262 8 P CA 0.119 63.211 63.100 -0.014 0.000 0.834 8 P CB 0.636 32.330 31.700 -0.011 0.000 1.098 14 S N 2.960 118.648 115.700 -0.020 0.000 2.443 14 S HA 0.362 4.832 4.470 0.000 0.000 0.284 14 S C 0.879 175.468 174.600 -0.018 0.000 1.206 14 S CA -0.683 57.503 58.200 -0.022 0.000 1.074 14 S CB 0.512 63.699 63.200 -0.021 0.000 0.963 14 S HN 0.370 nan 8.310 nan 0.000 0.501 15 L N 3.038 124.250 121.223 -0.019 0.000 2.356 15 L HA 0.184 4.524 4.340 0.000 0.000 0.241 15 L C -1.400 175.463 176.870 -0.012 0.000 1.242 15 L CA -1.379 53.452 54.840 -0.015 0.000 0.820 15 L CB -0.701 41.348 42.059 -0.017 0.000 1.124 15 L HN 0.490 nan 8.230 nan 0.000 0.584 16 P HA 0.150 nan 4.420 nan 0.000 0.268 16 P C -2.476 174.820 177.300 -0.006 0.000 1.205 16 P CA -0.846 62.251 63.100 -0.006 0.000 0.771 16 P CB -0.291 31.406 31.700 -0.004 0.000 0.858 17 P HA 0.305 nan 4.420 nan 0.000 0.279 17 P C -0.105 177.195 177.300 -0.000 0.000 1.276 17 P CA -0.614 62.484 63.100 -0.003 0.000 0.801 17 P CB 0.666 32.365 31.700 -0.002 0.000 1.127 18 L N 0.651 121.875 121.223 0.002 0.000 2.467 18 L HA 0.195 4.535 4.340 0.000 0.000 0.270 18 L C -1.759 175.113 176.870 0.003 0.000 1.205 18 L CA -1.711 53.132 54.840 0.004 0.000 0.828 18 L CB -0.926 41.137 42.059 0.006 0.000 1.101 18 L HN 0.310 nan 8.230 nan 0.000 0.479 19 P HA -0.081 nan 4.420 nan 0.000 0.265 19 P C 0.530 177.831 177.300 0.001 0.000 1.167 19 P CA 0.342 63.444 63.100 0.003 0.000 0.760 19 P CB 0.329 32.031 31.700 0.003 0.000 0.783 20 T N 0.704 115.259 114.554 0.001 0.000 2.833 20 T HA -0.163 4.187 4.350 0.000 0.000 0.269 20 T C 1.294 175.994 174.700 -0.000 0.000 1.054 20 T CA 1.849 63.949 62.100 0.001 0.000 1.135 20 T CB -0.563 68.306 68.868 0.001 0.000 0.869 20 T HN 0.649 nan 8.240 nan 0.000 0.466 21 D N 1.526 121.925 120.400 -0.001 0.000 2.123 21 D HA -0.064 4.576 4.640 0.000 0.000 0.200 21 D C 1.999 178.296 176.300 -0.006 0.000 0.976 21 D CA 0.820 54.819 54.000 -0.002 0.000 0.831 21 D CB -0.765 40.034 40.800 -0.002 0.000 0.974 21 D HN 0.350 nan 8.370 nan 0.000 0.469 22 L N -0.438 120.780 121.223 -0.007 0.000 2.395 22 L HA 0.101 4.441 4.340 0.000 0.000 0.218 22 L C 2.865 179.726 176.870 -0.014 0.000 1.130 22 L CA 0.231 55.062 54.840 -0.015 0.000 0.826 22 L CB -0.223 41.826 42.059 -0.017 0.000 0.941 22 L HN 0.007 nan 8.230 nan 0.000 0.451 23 R N -0.193 120.303 120.500 -0.006 0.000 2.075 23 R HA -0.093 4.247 4.340 0.000 0.000 0.226 23 R C 2.226 178.526 176.300 0.001 0.000 1.114 23 R CA 1.549 57.649 56.100 -0.000 0.000 0.972 23 R CB -0.085 30.218 30.300 0.004 0.000 0.869 23 R HN 0.151 nan 8.270 nan 0.000 0.437 24 T N 1.142 115.695 114.554 -0.000 0.000 2.737 24 T HA -0.149 4.201 4.350 0.000 0.000 0.269 24 T C 1.714 176.413 174.700 -0.002 0.000 1.040 24 T CA 1.391 63.491 62.100 0.000 0.000 1.142 24 T CB -0.133 68.734 68.868 -0.000 0.000 0.861 24 T HN 0.330 nan 8.240 nan 0.000 0.456 25 R N 0.244 120.738 120.500 -0.009 0.000 2.075 25 R HA 0.070 4.410 4.340 0.000 0.000 0.232 25 R C 2.436 178.727 176.300 -0.015 0.000 1.126 25 R CA 0.811 56.902 56.100 -0.015 0.000 0.963 25 R CB -0.847 29.438 30.300 -0.026 0.000 0.858 25 R HN 0.282 nan 8.270 nan 0.000 0.435 26 L N 1.986 123.200 121.223 -0.016 0.000 1.970 26 L HA -0.204 4.136 4.340 0.000 0.000 0.212 26 L C 1.677 178.563 176.870 0.026 0.000 1.071 26 L CA 1.960 56.798 54.840 -0.003 0.000 0.751 26 L CB -0.543 41.517 42.059 0.003 0.000 0.889 26 L HN 0.073 nan 8.230 nan 0.000 0.432 27 D N -0.137 120.276 120.400 0.022 0.000 2.126 27 D HA -0.271 4.369 4.640 0.000 0.000 0.190 27 D C 2.158 178.470 176.300 0.020 0.000 1.001 27 D CA 1.816 55.831 54.000 0.024 0.000 0.841 27 D CB -0.431 40.379 40.800 0.017 0.000 0.949 27 D HN 0.508 nan 8.370 nan 0.000 0.446 28 A N 0.928 123.756 122.820 0.012 0.000 1.948 28 A HA -0.136 4.184 4.320 0.000 0.000 0.220 28 A C 2.298 179.890 177.584 0.013 0.000 1.177 28 A CA 2.656 54.698 52.037 0.008 0.000 0.636 28 A CB -0.624 18.377 19.000 0.002 0.000 0.815 28 A HN 0.290 nan 8.150 nan 0.000 0.449 29 A N -0.491 122.340 122.820 0.018 0.000 1.855 29 A HA 0.128 4.448 4.320 0.000 0.000 0.213 29 A C 2.014 179.624 177.584 0.042 0.000 1.195 29 A CA 1.223 53.278 52.037 0.029 0.000 0.610 29 A CB -0.523 18.496 19.000 0.031 0.000 0.837 29 A HN 0.441 nan 8.150 nan 0.000 0.444 30 L N -0.301 120.956 121.223 0.056 0.000 2.465 30 L HA -0.065 4.275 4.340 0.000 0.000 0.224 30 L C 2.731 179.610 176.870 0.015 0.000 1.145 30 L CA 0.492 55.361 54.840 0.048 0.000 0.834 30 L CB -0.397 41.704 42.059 0.070 0.000 0.944 30 L HN 0.442 nan 8.230 nan 0.000 0.451 31 A N -0.078 122.751 122.820 0.015 0.000 2.067 31 A HA -0.103 4.217 4.320 0.000 0.000 0.219 31 A C 1.266 178.849 177.584 -0.002 0.000 1.158 31 A CA 0.714 52.755 52.037 0.007 0.000 0.661 31 A CB -0.227 18.778 19.000 0.008 0.000 0.801 31 A HN 0.270 nan 8.150 nan 0.000 0.452 32 K N 0.439 120.837 120.400 -0.003 0.000 2.230 32 K HA 0.239 4.559 4.320 0.000 0.000 0.253 32 K C -2.527 174.058 176.600 -0.025 0.000 1.008 32 K CA -1.476 54.806 56.287 -0.009 0.000 0.910 32 K CB 0.074 32.573 32.500 -0.002 0.000 0.994 32 K HN 0.140 nan 8.250 nan 0.000 0.495 33 P HA 0.129 nan 4.420 nan 0.000 0.279 33 P C -1.531 175.736 177.300 -0.056 0.000 1.239 33 P CA -0.390 62.692 63.100 -0.030 0.000 0.789 33 P CB 1.292 32.983 31.700 -0.014 0.000 0.933 34 A N 2.446 125.216 122.820 -0.084 0.000 2.324 34 A HA 0.734 5.054 4.320 0.000 0.000 0.330 34 A C -0.147 177.404 177.584 -0.055 0.000 1.165 34 A CA -0.649 51.300 52.037 -0.148 0.000 0.813 34 A CB 0.948 19.807 19.000 -0.235 0.000 1.197 34 A HN 0.608 nan 8.150 nan 0.000 0.484 35 A N 1.006 123.838 122.820 0.021 0.000 2.294 35 A HA 0.616 4.936 4.320 0.000 0.000 0.330 35 A C 0.326 177.953 177.584 0.072 0.000 1.133 35 A CA -0.418 51.654 52.037 0.057 0.000 0.836 35 A CB 0.292 19.342 19.000 0.083 0.000 1.190 35 A HN 1.139 nan 8.150 nan 0.000 0.492 36 Q N -0.717 119.092 119.800 0.015 0.000 2.457 36 Q HA -0.159 4.181 4.340 0.000 0.000 0.283 36 Q C -0.397 175.572 176.000 -0.051 0.000 1.234 36 Q CA 0.979 56.770 55.803 -0.019 0.000 0.877 36 Q CB -1.435 27.289 28.738 -0.023 0.000 1.250 36 Q HN 0.782 nan 8.270 nan 0.000 0.481 37 Q N -0.015 119.743 119.800 -0.070 0.000 2.221 37 Q HA 0.521 4.861 4.340 0.000 0.000 0.242 37 Q C -1.912 173.940 176.000 -0.245 0.000 0.940 37 Q CA -1.748 53.969 55.803 -0.143 0.000 0.896 37 Q CB 0.507 29.173 28.738 -0.120 0.000 1.226 37 Q HN 0.040 nan 8.270 nan 0.000 0.463 38 P HA 0.084 nan 4.420 nan 0.000 0.272 38 P C -0.159 176.838 177.300 -0.505 0.000 1.223 38 P CA -0.052 62.637 63.100 -0.685 0.000 0.784 38 P CB 0.424 31.077 31.700 -1.744 0.000 0.923 39 T N -2.094 112.378 114.554 -0.135 0.000 3.221 39 T HA 0.334 4.684 4.350 0.000 0.000 0.246 39 T C -0.293 174.381 174.700 -0.043 0.000 0.952 39 T CA -0.783 61.230 62.100 -0.145 0.000 0.994 39 T CB -1.060 67.704 68.868 -0.174 0.000 1.127 39 T HN 0.355 nan 8.240 nan 0.000 0.549 40 W N 0.476 121.833 121.300 0.095 0.000 2.298 40 W HA 0.762 5.422 4.660 0.000 0.000 0.358 40 W C -2.883 173.654 176.519 0.030 0.000 1.241 40 W CA -3.478 53.902 57.345 0.058 0.000 1.385 40 W CB -1.199 28.308 29.460 0.079 0.000 1.225 40 W HN -0.066 nan 8.180 nan 0.000 0.654 41 P HA 0.224 nan 4.420 nan 0.000 0.271 41 P C 0.530 177.940 177.300 0.183 0.000 1.218 41 P CA 0.180 63.389 63.100 0.182 0.000 0.780 41 P CB 0.985 32.744 31.700 0.099 0.000 0.901 42 A N 2.790 125.689 122.820 0.132 0.000 1.968 42 A HA -0.150 4.170 4.320 0.000 0.000 0.217 42 A C 1.732 179.351 177.584 0.058 0.000 1.169 42 A CA 1.554 53.660 52.037 0.115 0.000 0.638 42 A CB -0.882 18.168 19.000 0.083 0.000 0.812 42 A HN 0.700 nan 8.150 nan 0.000 0.446 43 D N -0.255 120.167 120.400 0.037 0.000 2.097 43 D HA -0.239 4.401 4.640 0.000 0.000 0.197 43 D C 1.834 178.121 176.300 -0.022 0.000 0.984 43 D CA 1.505 55.510 54.000 0.008 0.000 0.826 43 D CB -0.711 40.093 40.800 0.008 0.000 0.973 43 D HN 0.603 nan 8.370 nan 0.000 0.460 44 Q N 0.718 120.497 119.800 -0.035 0.000 2.050 44 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 44 Q C 2.532 178.431 176.000 -0.169 0.000 0.980 44 Q CA 1.579 57.326 55.803 -0.095 0.000 0.840 44 Q CB -0.286 28.390 28.738 -0.102 0.000 0.898 44 Q HN 0.410 nan 8.270 nan 0.000 0.424 45 A N 0.840 123.538 122.820 -0.203 0.000 1.986 45 A HA -0.199 4.121 4.320 0.000 0.000 0.220 45 A C 2.022 179.543 177.584 -0.105 0.000 1.171 45 A CA 1.191 53.073 52.037 -0.259 0.000 0.640 45 A CB -0.544 18.412 19.000 -0.073 0.000 0.811 45 A HN 0.345 nan 8.150 nan 0.000 0.451 46 L N -0.452 120.741 121.223 -0.050 0.000 2.027 46 L HA 0.006 4.346 4.340 0.000 0.000 0.206 46 L C 2.716 179.557 176.870 -0.049 0.000 1.074 46 L CA 2.082 56.906 54.840 -0.028 0.000 0.745 46 L CB -0.888 41.165 42.059 -0.010 0.000 0.898 46 L HN 0.333 nan 8.230 nan 0.000 0.433 47 A N -0.554 122.228 122.820 -0.063 0.000 1.873 47 A HA -0.261 4.059 4.320 0.000 0.000 0.218 47 A C 2.209 179.746 177.584 -0.079 0.000 1.193 47 A CA 2.453 54.451 52.037 -0.065 0.000 0.629 47 A CB -0.601 18.358 19.000 -0.068 0.000 0.826 47 A HN 0.488 nan 8.150 nan 0.000 0.447 48 M N -0.664 118.870 119.600 -0.110 0.000 2.117 48 M HA -0.084 4.396 4.480 0.000 0.000 0.262 48 M C 2.157 178.404 176.300 -0.088 0.000 1.065 48 M CA 1.370 56.600 55.300 -0.116 0.000 1.114 48 M CB -1.362 31.127 32.600 -0.185 0.000 1.361 48 M HN 0.410 nan 8.290 nan 0.000 0.408 49 R N -0.437 120.021 120.500 -0.071 0.000 2.091 49 R HA -0.120 4.220 4.340 0.000 0.000 0.238 49 R C 2.092 178.356 176.300 -0.060 0.000 1.136 49 R CA 1.943 58.014 56.100 -0.048 0.000 0.959 49 R CB -0.849 29.442 30.300 -0.016 0.000 0.856 49 R HN 0.429 nan 8.270 nan 0.000 0.437 50 T N 0.664 115.184 114.554 -0.056 0.000 2.788 50 T HA -0.082 4.268 4.350 0.000 0.000 0.268 50 T C 2.048 176.705 174.700 -0.071 0.000 1.044 50 T CA 1.149 63.217 62.100 -0.054 0.000 1.139 50 T CB -0.200 68.642 68.868 -0.043 0.000 0.867 50 T HN -0.001 nan 8.240 nan 0.000 0.454 51 V N 1.291 121.156 119.914 -0.082 0.000 2.261 51 V HA -0.105 4.015 4.120 0.000 0.000 0.246 51 V C 2.311 178.317 176.094 -0.147 0.000 1.047 51 V CA 1.438 63.679 62.300 -0.098 0.000 1.015 51 V CB -0.576 31.193 31.823 -0.091 0.000 0.642 51 V HN 0.336 nan 8.190 nan 0.000 0.446 52 L N -0.486 120.635 121.223 -0.169 0.000 2.395 52 L HA -0.004 4.336 4.340 0.000 0.000 0.218 52 L C 2.201 178.946 176.870 -0.209 0.000 1.130 52 L CA 1.262 55.944 54.840 -0.264 0.000 0.826 52 L CB -0.903 41.012 42.059 -0.240 0.000 0.941 52 L HN 0.352 nan 8.230 nan 0.000 0.451 53 E N -0.675 119.447 120.200 -0.131 0.000 2.333 53 E HA -0.138 4.212 4.350 0.000 0.000 0.198 53 E C 1.339 177.887 176.600 -0.087 0.000 1.007 53 E CA 1.181 57.527 56.400 -0.090 0.000 0.845 53 E CB 0.129 29.794 29.700 -0.057 0.000 0.766 53 E HN 0.540 nan 8.360 nan 0.000 0.507 54 S N -1.203 114.433 115.700 -0.108 0.000 2.847 54 S HA 0.120 4.590 4.470 0.000 0.000 0.254 54 S C 0.419 174.961 174.600 -0.097 0.000 1.039 54 S CA -0.412 57.739 58.200 -0.082 0.000 1.113 54 S CB -0.153 63.012 63.200 -0.059 0.000 1.092 54 S HN 0.063 nan 8.310 nan 0.000 0.620 55 V N -0.638 119.172 119.914 -0.174 0.000 3.264 55 V HA 0.586 4.706 4.120 0.000 0.000 0.304 55 V C -2.804 173.251 176.094 -0.065 0.000 1.086 55 V CA -2.041 60.149 62.300 -0.184 0.000 1.090 55 V CB -0.772 30.704 31.823 -0.579 0.000 1.112 55 V HN 0.034 nan 8.190 nan 0.000 0.472 56 P HA 0.333 nan 4.420 nan 0.000 0.271 56 P C -2.638 174.768 177.300 0.177 0.000 1.216 56 P CA -0.726 62.443 63.100 0.115 0.000 0.771 56 P CB -0.111 31.678 31.700 0.148 0.000 0.864 57 P HA 0.096 nan 4.420 nan 0.000 0.279 57 P C 0.518 177.887 177.300 0.115 0.000 1.252 57 P CA -0.248 62.916 63.100 0.106 0.000 0.811 57 P CB 0.801 32.522 31.700 0.035 0.000 1.035 58 V N -0.126 119.858 119.914 0.117 0.000 2.407 58 V HA -0.044 4.076 4.120 0.000 0.000 0.245 58 V C 1.428 177.515 176.094 -0.012 0.000 1.041 58 V CA 2.245 64.588 62.300 0.072 0.000 1.040 58 V CB -1.145 30.744 31.823 0.111 0.000 0.671 58 V HN 0.734 nan 8.190 nan 0.000 0.455 59 T N -0.899 113.611 114.554 -0.073 0.000 2.922 59 T HA 0.728 5.078 4.350 0.000 0.000 0.281 59 T C -0.503 174.160 174.700 -0.061 0.000 1.005 59 T CA -0.240 61.764 62.100 -0.160 0.000 0.982 59 T CB 1.909 70.525 68.868 -0.420 0.000 1.158 59 T HN 0.292 nan 8.240 nan 0.000 0.566 60 V N -2.972 116.919 119.914 -0.039 0.000 3.040 60 V HA 0.551 4.671 4.120 0.000 0.000 0.312 60 V C -2.410 173.592 176.094 -0.154 0.000 1.115 60 V CA -2.585 59.669 62.300 -0.077 0.000 0.998 60 V CB 1.303 33.100 31.823 -0.043 0.000 1.042 60 V HN 0.545 nan 8.190 nan 0.000 0.433 61 P HA -0.120 nan 4.420 nan 0.000 0.215 61 P C 1.919 179.009 177.300 -0.349 0.000 1.153 61 P CA 2.400 65.069 63.100 -0.718 0.000 0.853 61 P CB 0.049 31.238 31.700 -0.852 0.000 0.788 62 S N -0.452 115.150 115.700 -0.162 0.000 2.419 62 S HA -0.189 4.281 4.470 0.000 0.000 0.233 62 S C 1.829 176.445 174.600 0.027 0.000 1.016 62 S CA 1.138 59.309 58.200 -0.047 0.000 0.974 62 S CB -1.168 62.020 63.200 -0.021 0.000 0.786 62 S HN 0.257 nan 8.310 nan 0.000 0.492 63 E N 1.128 121.368 120.200 0.068 0.000 2.072 63 E HA -0.009 4.341 4.350 0.000 0.000 0.191 63 E C 1.992 178.717 176.600 0.208 0.000 0.985 63 E CA 1.349 57.867 56.400 0.196 0.000 0.801 63 E CB -0.302 29.615 29.700 0.362 0.000 0.750 63 E HN 0.578 nan 8.360 nan 0.000 0.452 64 I N 0.501 121.182 120.570 0.185 0.000 2.353 64 I HA -0.182 3.988 4.170 0.000 0.000 0.248 64 I C 2.210 178.434 176.117 0.179 0.000 1.119 64 I CA 0.570 62.006 61.300 0.226 0.000 1.417 64 I CB 0.005 38.215 38.000 0.349 0.000 1.078 64 I HN -0.015 nan 8.210 nan 0.000 0.421 65 V N 0.989 121.003 119.914 0.166 0.000 2.759 65 V HA -0.220 3.900 4.120 0.000 0.000 0.256 65 V C 2.534 178.673 176.094 0.074 0.000 1.080 65 V CA 1.649 64.037 62.300 0.146 0.000 1.101 65 V CB -0.716 31.182 31.823 0.125 0.000 0.698 65 V HN 0.407 nan 8.190 nan 0.000 0.477 66 R N -0.338 120.198 120.500 0.061 0.000 2.100 66 R HA -0.028 4.312 4.340 0.000 0.000 0.220 66 R C 2.200 178.490 176.300 -0.017 0.000 1.091 66 R CA 0.918 57.044 56.100 0.044 0.000 0.986 66 R CB -0.215 30.133 30.300 0.081 0.000 0.888 66 R HN 0.410 nan 8.270 nan 0.000 0.444 67 L N 1.419 122.573 121.223 -0.114 0.000 2.012 67 L HA -0.189 4.151 4.340 0.000 0.000 0.210 67 L C 2.331 179.074 176.870 -0.211 0.000 1.073 67 L CA 2.060 56.660 54.840 -0.401 0.000 0.748 67 L CB -0.770 40.863 42.059 -0.710 0.000 0.891 67 L HN 0.228 nan 8.230 nan 0.000 0.431 68 Q N 0.208 119.950 119.800 -0.097 0.000 2.096 68 Q HA -0.288 4.052 4.340 0.000 0.000 0.208 68 Q C 2.098 178.075 176.000 -0.038 0.000 0.993 68 Q CA 2.483 58.257 55.803 -0.047 0.000 0.862 68 Q CB -0.337 28.407 28.738 0.009 0.000 0.915 68 Q HN 0.685 nan 8.270 nan 0.000 0.416 69 E N -0.516 119.672 120.200 -0.021 0.000 2.085 69 E HA -0.240 4.110 4.350 0.000 0.000 0.194 69 E C 2.142 178.732 176.600 -0.016 0.000 0.994 69 E CA 1.464 57.859 56.400 -0.009 0.000 0.801 69 E CB -0.075 29.630 29.700 0.007 0.000 0.743 69 E HN 0.556 nan 8.360 nan 0.000 0.453 70 Q N 0.044 119.824 119.800 -0.033 0.000 2.172 70 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 70 Q C 2.278 178.257 176.000 -0.036 0.000 0.964 70 Q CA 0.638 56.427 55.803 -0.023 0.000 0.855 70 Q CB 0.057 28.784 28.738 -0.019 0.000 0.918 70 Q HN 0.330 nan 8.270 nan 0.000 0.444 71 L N 0.314 121.496 121.223 -0.069 0.000 2.291 71 L HA -0.099 4.241 4.340 0.000 0.000 0.214 71 L C 2.395 179.245 176.870 -0.033 0.000 1.120 71 L CA 0.530 55.330 54.840 -0.066 0.000 0.799 71 L CB -0.421 41.582 42.059 -0.093 0.000 0.925 71 L HN 0.198 nan 8.230 nan 0.000 0.446 72 A N -0.569 122.238 122.820 -0.022 0.000 1.898 72 A HA -0.196 4.124 4.320 0.000 0.000 0.216 72 A C 2.233 179.819 177.584 0.003 0.000 1.181 72 A CA 1.163 53.196 52.037 -0.007 0.000 0.620 72 A CB -0.229 18.769 19.000 -0.004 0.000 0.819 72 A HN 0.356 nan 8.150 nan 0.000 0.442 73 Q N -0.302 119.501 119.800 0.005 0.000 2.123 73 Q HA -0.057 4.283 4.340 0.000 0.000 0.199 73 Q C 2.317 178.338 176.000 0.034 0.000 0.966 73 Q CA 1.369 57.179 55.803 0.012 0.000 0.845 73 Q CB -0.909 27.837 28.738 0.014 0.000 0.907 73 Q HN 0.460 nan 8.270 nan 0.000 0.439 74 V N 1.536 121.478 119.914 0.045 0.000 2.324 74 V HA -0.284 3.836 4.120 0.000 0.000 0.250 74 V C 2.311 178.498 176.094 0.155 0.000 1.060 74 V CA 2.034 64.392 62.300 0.096 0.000 1.042 74 V CB -0.978 30.856 31.823 0.018 0.000 0.650 74 V HN 0.355 nan 8.190 nan 0.000 0.450 75 A N -0.965 121.903 122.820 0.080 0.000 2.016 75 A HA -0.078 4.242 4.320 0.000 0.000 0.217 75 A C 1.982 179.628 177.584 0.104 0.000 1.162 75 A CA 0.858 52.954 52.037 0.098 0.000 0.662 75 A CB -0.244 18.768 19.000 0.020 0.000 0.812 75 A HN 0.518 nan 8.150 nan 0.000 0.450 76 K N -0.169 120.254 120.400 0.038 0.000 2.546 76 K HA 0.191 4.511 4.320 0.000 0.000 0.198 76 K C 0.687 177.220 176.600 -0.111 0.000 1.028 76 K CA 0.396 56.677 56.287 -0.010 0.000 1.150 76 K CB -0.382 32.110 32.500 -0.013 0.000 0.876 76 K HN 0.564 nan 8.250 nan 0.000 0.508 77 G N 2.302 110.949 108.800 -0.254 0.000 2.338 77 G HA2 -0.277 3.683 3.960 0.000 0.000 0.296 77 G HA3 -0.277 3.683 3.960 0.000 0.000 0.296 77 G C 0.155 174.780 174.900 -0.460 0.000 1.040 77 G CA 0.469 45.020 45.100 -0.915 0.000 1.004 77 G HN 0.544 nan 8.290 nan 0.000 0.509 78 E N -1.183 118.897 120.200 -0.200 0.000 2.639 78 E HA 0.525 4.875 4.350 0.000 0.000 0.225 78 E C 0.922 177.540 176.600 0.030 0.000 0.921 78 E CA 0.503 56.862 56.400 -0.068 0.000 1.184 78 E CB 0.894 30.569 29.700 -0.041 0.000 1.160 78 E HN 0.934 nan 8.360 nan 0.000 0.547 79 A N 0.454 123.341 122.820 0.112 0.000 2.583 79 A HA 0.696 5.016 4.320 0.000 0.000 0.289 79 A C -1.975 175.810 177.584 0.335 0.000 1.151 79 A CA -0.562 51.585 52.037 0.183 0.000 0.695 79 A CB 1.116 20.185 19.000 0.114 0.000 1.290 79 A HN 0.091 nan 8.150 nan 0.000 0.419 80 F N -0.040 119.969 119.950 0.098 0.000 2.508 80 F HA 0.695 5.222 4.527 -0.000 0.000 0.325 80 F C -0.675 175.139 175.800 0.023 0.000 1.090 80 F CA -1.035 57.008 58.000 0.071 0.000 0.945 80 F CB 1.805 40.845 39.000 0.067 0.000 1.156 80 F HN 0.541 nan 8.300 nan 0.000 0.463 81 L N 5.456 126.322 121.223 -0.595 0.000 2.334 81 L HA 0.592 4.932 4.340 0.000 0.000 0.277 81 L C -1.500 175.133 176.870 -0.395 0.000 1.075 81 L CA -0.545 54.054 54.840 -0.401 0.000 0.804 81 L CB 1.359 43.175 42.059 -0.404 0.000 1.174 81 L HN 0.606 nan 8.230 nan 0.000 0.438 82 L N 4.554 125.689 121.223 -0.147 0.000 2.492 82 L HA 0.466 4.806 4.340 0.000 0.000 0.258 82 L C -0.887 175.910 176.870 -0.123 0.000 1.028 82 L CA 0.024 54.824 54.840 -0.067 0.000 0.900 82 L CB 1.178 43.284 42.059 0.079 0.000 1.191 82 L HN 0.730 nan 8.230 nan 0.000 0.459 83 Q N 2.436 122.090 119.800 -0.243 0.000 2.256 83 Q HA 0.823 5.163 4.340 0.000 0.000 0.257 83 Q C -0.500 175.314 176.000 -0.311 0.000 0.936 83 Q CA -0.307 55.270 55.803 -0.377 0.000 0.903 83 Q CB 1.800 30.072 28.738 -0.776 0.000 1.263 83 Q HN 0.876 nan 8.270 nan 0.000 0.440 84 G N 0.710 109.391 108.800 -0.197 0.000 2.519 84 G HA2 0.623 4.583 3.960 0.000 0.000 0.292 84 G HA3 0.623 4.583 3.960 0.000 0.000 0.292 84 G C -1.041 173.846 174.900 -0.022 0.000 1.507 84 G CA 0.001 45.056 45.100 -0.075 0.000 0.806 84 G HN 0.939 nan 8.290 nan 0.000 0.523 85 G N -0.452 108.352 108.800 0.006 0.000 2.369 85 G HA2 0.406 4.366 3.960 0.000 0.000 0.293 85 G HA3 0.406 4.366 3.960 0.000 0.000 0.293 85 G C -1.623 173.298 174.900 0.036 0.000 1.301 85 G CA -0.631 44.478 45.100 0.015 0.000 0.913 85 G HN 0.686 nan 8.290 nan 0.000 0.540 86 D N -0.368 120.055 120.400 0.039 0.000 2.472 86 D HA 0.185 4.825 4.640 0.000 0.000 0.237 86 D C 1.683 178.034 176.300 0.085 0.000 1.141 86 D CA 0.432 54.472 54.000 0.067 0.000 0.875 86 D CB 1.532 42.402 40.800 0.116 0.000 1.192 86 D HN 0.610 nan 8.370 nan 0.000 0.450 87 C N 3.015 122.359 119.300 0.073 0.000 2.388 87 C HA 0.013 4.473 4.460 0.000 0.000 0.277 87 C C 0.920 175.970 174.990 0.100 0.000 1.210 87 C CA 1.233 60.304 59.018 0.088 0.000 1.743 87 C CB -0.638 27.137 27.740 0.058 0.000 2.047 87 C HN 0.640 nan 8.230 nan 0.000 0.458 88 A N 0.425 123.291 122.820 0.077 0.000 2.357 88 A HA 0.582 4.902 4.320 0.000 0.000 0.295 88 A C -0.686 176.923 177.584 0.041 0.000 1.121 88 A CA -0.332 51.739 52.037 0.056 0.000 0.742 88 A CB 0.405 19.459 19.000 0.091 0.000 1.181 88 A HN 0.646 nan 8.150 nan 0.000 0.454 89 E N 1.855 122.037 120.200 -0.030 0.000 2.366 89 E HA 0.281 4.631 4.350 0.000 0.000 0.266 89 E C 0.484 177.184 176.600 0.167 0.000 1.015 89 E CA 0.275 56.685 56.400 0.017 0.000 0.906 89 E CB 0.735 30.258 29.700 -0.295 0.000 0.979 89 E HN 0.719 nan 8.360 nan 0.000 0.443 90 T N 0.043 114.691 114.554 0.158 0.000 2.929 90 T HA 0.232 4.582 4.350 0.000 0.000 0.284 90 T C 0.703 175.549 174.700 0.243 0.000 1.014 90 T CA -0.754 61.410 62.100 0.105 0.000 1.051 90 T CB 0.554 69.417 68.868 -0.009 0.000 1.028 90 T HN 0.208 nan 8.240 nan 0.000 0.485 91 F N 0.669 120.674 119.950 0.091 0.000 2.325 91 F HA 0.159 4.686 4.527 0.000 0.000 0.299 91 F C 2.261 178.066 175.800 0.009 0.000 1.090 91 F CA 0.331 58.335 58.000 0.007 0.000 1.392 91 F CB -0.859 38.104 39.000 -0.062 0.000 1.053 91 F HN 0.605 nan 8.300 nan 0.000 0.521 92 M N -0.361 119.344 119.600 0.175 0.000 2.288 92 M HA -0.093 4.387 4.480 0.000 0.000 0.266 92 M C 0.738 177.050 176.300 0.020 0.000 1.072 92 M CA 1.506 56.853 55.300 0.078 0.000 1.132 92 M CB -0.047 32.574 32.600 0.034 0.000 1.386 92 M HN -0.207 nan 8.290 nan 0.000 0.432 93 D N 0.240 120.626 120.400 -0.023 0.000 2.339 93 D HA 0.023 4.663 4.640 0.000 0.000 0.217 93 D C 0.071 176.380 176.300 0.015 0.000 1.050 93 D CA 0.285 54.200 54.000 -0.142 0.000 0.856 93 D CB -0.506 40.001 40.800 -0.488 0.000 0.922 93 D HN 0.271 nan 8.370 nan 0.000 0.518 94 N N 1.180 119.957 118.700 0.129 0.000 3.127 94 N HA -0.026 4.714 4.740 0.000 0.000 0.317 94 N C -0.493 175.089 175.510 0.120 0.000 1.242 94 N CA 0.128 53.289 53.050 0.185 0.000 1.203 94 N CB -0.250 38.361 38.487 0.207 0.000 1.462 94 N HN 0.054 nan 8.380 nan 0.000 0.546 95 T N -3.398 111.231 114.554 0.125 0.000 2.910 95 T HA 0.279 4.629 4.350 0.000 0.000 0.287 95 T C 0.894 175.652 174.700 0.096 0.000 1.050 95 T CA -0.741 61.412 62.100 0.089 0.000 1.011 95 T CB 1.598 70.506 68.868 0.066 0.000 1.195 95 T HN 0.026 nan 8.240 nan 0.000 0.540 96 E N 0.342 120.578 120.200 0.060 0.000 2.106 96 E HA -0.005 4.345 4.350 0.000 0.000 0.192 96 E C -0.903 175.720 176.600 0.037 0.000 0.984 96 E CA 1.228 57.654 56.400 0.043 0.000 0.806 96 E CB -1.248 28.469 29.700 0.028 0.000 0.750 96 E HN 0.490 nan 8.360 nan 0.000 0.458 97 P HA -0.024 nan 4.420 nan 0.000 0.224 97 P C 0.994 178.318 177.300 0.040 0.000 1.157 97 P CA 1.043 64.159 63.100 0.027 0.000 0.799 97 P CB -0.068 31.650 31.700 0.030 0.000 0.809 98 H N -0.185 118.877 119.070 -0.014 0.000 2.363 98 H HA 0.036 4.592 4.556 -0.000 0.000 0.301 98 H C 1.734 177.056 175.328 -0.011 0.000 1.074 98 H CA 1.414 57.455 56.048 -0.012 0.000 1.354 98 H CB -0.795 28.971 29.762 0.007 0.000 1.397 98 H HN -0.035 nan 8.280 nan 0.000 0.516 99 I N -0.394 120.147 120.570 -0.048 0.000 2.286 99 I HA -0.172 3.998 4.170 0.000 0.000 0.245 99 I C 2.669 178.735 176.117 -0.085 0.000 1.104 99 I CA 0.820 62.074 61.300 -0.078 0.000 1.397 99 I CB -0.318 37.688 38.000 0.010 0.000 1.072 99 I HN 0.160 nan 8.210 nan 0.000 0.417 100 R N 0.938 121.404 120.500 -0.056 0.000 2.117 100 R HA -0.184 4.156 4.340 0.000 0.000 0.243 100 R C 2.321 178.546 176.300 -0.126 0.000 1.143 100 R CA 1.736 57.796 56.100 -0.066 0.000 0.968 100 R CB -0.599 29.671 30.300 -0.051 0.000 0.863 100 R HN 0.506 nan 8.270 nan 0.000 0.444 101 G N 0.197 108.905 108.800 -0.154 0.000 2.414 101 G HA2 -0.250 3.709 3.960 0.000 0.000 0.215 101 G HA3 -0.250 3.709 3.960 0.000 0.000 0.215 101 G C 1.127 175.910 174.900 -0.195 0.000 1.188 101 G CA 0.729 45.712 45.100 -0.194 0.000 0.783 101 G HN 0.301 nan 8.290 nan 0.000 0.537 102 N N -0.062 118.507 118.700 -0.218 0.000 2.354 102 N HA -0.013 4.727 4.740 0.000 0.000 0.179 102 N C 2.197 177.643 175.510 -0.108 0.000 1.021 102 N CA 0.473 53.415 53.050 -0.180 0.000 0.887 102 N CB -0.095 38.263 38.487 -0.216 0.000 0.974 102 N HN 0.177 nan 8.380 nan 0.000 0.437 103 V N 0.927 120.787 119.914 -0.090 0.000 2.358 103 V HA -0.164 3.956 4.120 0.000 0.000 0.246 103 V C 2.464 178.539 176.094 -0.031 0.000 1.047 103 V CA 1.421 63.695 62.300 -0.042 0.000 1.035 103 V CB -0.392 31.418 31.823 -0.021 0.000 0.658 103 V HN 0.296 nan 8.190 nan 0.000 0.452 104 R N 0.379 120.835 120.500 -0.073 0.000 2.080 104 R HA -0.193 4.147 4.340 0.000 0.000 0.236 104 R C 2.364 178.633 176.300 -0.053 0.000 1.137 104 R CA 1.882 57.931 56.100 -0.084 0.000 0.943 104 R CB -0.578 29.541 30.300 -0.303 0.000 0.846 104 R HN 0.453 nan 8.270 nan 0.000 0.431 105 A N 1.249 124.010 122.820 -0.100 0.000 1.917 105 A HA -0.216 4.104 4.320 0.000 0.000 0.219 105 A C 2.090 179.656 177.584 -0.030 0.000 1.182 105 A CA 1.578 53.567 52.037 -0.080 0.000 0.633 105 A CB -0.722 18.216 19.000 -0.104 0.000 0.819 105 A HN 0.413 nan 8.150 nan 0.000 0.448 106 L N -0.502 120.707 121.223 -0.023 0.000 2.017 106 L HA -0.092 4.248 4.340 0.000 0.000 0.208 106 L C 2.386 179.274 176.870 0.030 0.000 1.073 106 L CA 1.654 56.494 54.840 0.000 0.000 0.745 106 L CB -0.460 41.596 42.059 -0.006 0.000 0.894 106 L HN 0.425 nan 8.230 nan 0.000 0.432 107 L N -1.181 120.071 121.223 0.048 0.000 2.017 107 L HA -0.254 4.086 4.340 0.000 0.000 0.208 107 L C 2.640 179.570 176.870 0.099 0.000 1.073 107 L CA 1.385 56.271 54.840 0.076 0.000 0.745 107 L CB -0.545 41.578 42.059 0.108 0.000 0.894 107 L HN 0.372 nan 8.230 nan 0.000 0.432 108 Q N -0.598 119.280 119.800 0.130 0.000 2.096 108 Q HA -0.299 4.041 4.340 0.000 0.000 0.208 108 Q C 2.276 178.342 176.000 0.110 0.000 0.993 108 Q CA 1.966 57.862 55.803 0.155 0.000 0.862 108 Q CB -0.260 28.564 28.738 0.144 0.000 0.915 108 Q HN 0.520 nan 8.270 nan 0.000 0.416 109 M N -0.298 119.342 119.600 0.067 0.000 2.159 109 M HA -0.181 4.299 4.480 0.000 0.000 0.263 109 M C 2.328 178.655 176.300 0.044 0.000 1.063 109 M CA 1.375 56.706 55.300 0.052 0.000 1.110 109 M CB -0.286 32.338 32.600 0.040 0.000 1.374 109 M HN 0.290 nan 8.290 nan 0.000 0.411 110 A N -0.133 122.718 122.820 0.053 0.000 1.883 110 A HA -0.128 4.191 4.320 0.000 0.000 0.217 110 A C 2.185 179.786 177.584 0.028 0.000 1.186 110 A CA 1.810 53.878 52.037 0.052 0.000 0.624 110 A CB -1.049 17.982 19.000 0.051 0.000 0.822 110 A HN 0.304 nan 8.150 nan 0.000 0.444 111 V N -0.389 119.542 119.914 0.029 0.000 2.295 111 V HA -0.240 3.880 4.120 0.000 0.000 0.246 111 V C 2.558 178.627 176.094 -0.041 0.000 1.049 111 V CA 2.065 64.363 62.300 -0.003 0.000 1.024 111 V CB -0.859 30.968 31.823 0.008 0.000 0.648 111 V HN 0.372 nan 8.190 nan 0.000 0.447 112 V N -0.463 119.408 119.914 -0.072 0.000 2.427 112 V HA -0.207 3.913 4.120 0.000 0.000 0.248 112 V C 2.241 178.242 176.094 -0.154 0.000 1.051 112 V CA 1.793 63.965 62.300 -0.213 0.000 1.048 112 V CB -0.461 31.095 31.823 -0.444 0.000 0.666 112 V HN 0.431 nan 8.190 nan 0.000 0.456 113 L N -0.694 120.464 121.223 -0.107 0.000 2.109 113 L HA -0.108 4.232 4.340 0.000 0.000 0.207 113 L C 2.624 179.426 176.870 -0.112 0.000 1.086 113 L CA 1.482 56.240 54.840 -0.137 0.000 0.760 113 L CB -0.774 41.224 42.059 -0.101 0.000 0.910 113 L HN 0.313 nan 8.230 nan 0.000 0.437 114 T N -1.087 113.446 114.554 -0.035 0.000 2.684 114 T HA -0.289 4.061 4.350 0.000 0.000 0.267 114 T C 1.696 176.378 174.700 -0.030 0.000 1.036 114 T CA 1.813 63.905 62.100 -0.013 0.000 1.148 114 T CB -0.364 68.513 68.868 0.014 0.000 0.863 114 T HN 0.318 nan 8.240 nan 0.000 0.436 115 Y N 1.523 121.754 120.300 -0.114 0.000 2.200 115 Y HA 0.018 4.568 4.550 -0.000 0.000 0.290 115 Y C 2.512 178.345 175.900 -0.111 0.000 1.137 115 Y CA 1.268 59.303 58.100 -0.110 0.000 1.163 115 Y CB -0.792 37.585 38.460 -0.138 0.000 0.988 115 Y HN 0.187 nan 8.280 nan 0.000 0.518 116 G N -0.296 108.499 108.800 -0.007 0.000 2.446 116 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 116 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 116 G C 1.686 176.491 174.900 -0.159 0.000 1.168 116 G CA 0.897 45.947 45.100 -0.082 0.000 0.771 116 G HN 0.558 nan 8.290 nan 0.000 0.551 117 A N -0.690 122.021 122.820 -0.181 0.000 2.169 117 A HA 0.435 4.755 4.320 0.000 0.000 0.212 117 A C 1.739 179.257 177.584 -0.110 0.000 1.153 117 A CA 1.313 53.261 52.037 -0.149 0.000 0.756 117 A CB -0.139 18.746 19.000 -0.192 0.000 0.813 117 A HN 0.692 nan 8.150 nan 0.000 0.471 118 S N -1.511 114.091 115.700 -0.164 0.000 3.521 118 S HA -0.189 4.281 4.470 0.000 0.000 0.328 118 S C 0.043 174.596 174.600 -0.079 0.000 1.165 118 S CA 1.467 59.566 58.200 -0.169 0.000 0.941 118 S CB -2.022 61.075 63.200 -0.171 0.000 0.951 118 S HN 1.102 nan 8.310 nan 0.000 0.539 119 M N -2.658 116.918 119.600 -0.040 0.000 2.520 119 M HA 0.683 5.163 4.480 0.000 0.000 0.280 119 M C -3.312 173.013 176.300 0.041 0.000 1.232 119 M CA -2.408 52.898 55.300 0.010 0.000 0.892 119 M CB 1.282 33.908 32.600 0.042 0.000 1.728 119 M HN -0.273 nan 8.290 nan 0.000 0.475 120 P HA 0.102 nan 4.420 nan 0.000 0.264 120 P C -0.976 176.393 177.300 0.115 0.000 1.179 120 P CA -0.177 62.963 63.100 0.066 0.000 0.763 120 P CB 0.326 32.061 31.700 0.058 0.000 0.806 121 V N 4.430 124.413 119.914 0.116 0.000 2.357 121 V HA 0.143 4.263 4.120 0.000 0.000 0.284 121 V C 0.232 176.399 176.094 0.122 0.000 1.018 121 V CA -0.769 61.630 62.300 0.166 0.000 0.841 121 V CB 1.804 33.729 31.823 0.170 0.000 0.991 121 V HN 0.225 nan 8.190 nan 0.000 0.437 122 V N 5.590 125.569 119.914 0.107 0.000 2.439 122 V HA 0.188 4.308 4.120 0.000 0.000 0.271 122 V C 0.460 176.613 176.094 0.100 0.000 1.040 122 V CA -0.451 61.912 62.300 0.105 0.000 1.002 122 V CB 0.521 32.369 31.823 0.042 0.000 1.000 122 V HN 0.799 nan 8.190 nan 0.000 0.477 123 K N 4.383 124.865 120.400 0.136 0.000 2.263 123 K HA 0.481 4.801 4.320 0.000 0.000 0.282 123 K C -0.784 175.900 176.600 0.140 0.000 1.089 123 K CA -0.180 56.162 56.287 0.092 0.000 0.907 123 K CB 1.204 33.732 32.500 0.047 0.000 1.148 123 K HN 0.496 nan 8.250 nan 0.000 0.470 124 V N 2.674 122.633 119.914 0.075 0.000 2.384 124 V HA 0.496 4.616 4.120 0.000 0.000 0.287 124 V C -0.198 175.912 176.094 0.027 0.000 1.020 124 V CA -0.988 61.364 62.300 0.086 0.000 0.850 124 V CB 1.463 33.290 31.823 0.007 0.000 0.987 124 V HN 0.804 nan 8.190 nan 0.000 0.436 125 A N 5.023 127.889 122.820 0.078 0.000 2.292 125 A HA 0.606 4.926 4.320 0.000 0.000 0.319 125 A C 0.315 177.962 177.584 0.105 0.000 1.206 125 A CA -0.719 51.354 52.037 0.059 0.000 0.835 125 A CB 0.405 19.440 19.000 0.059 0.000 1.164 125 A HN 0.822 nan 8.150 nan 0.000 0.505 126 R N 1.776 122.333 120.500 0.094 0.000 2.824 126 R HA 0.360 4.700 4.340 0.000 0.000 0.240 126 R C -0.805 175.572 176.300 0.128 0.000 1.548 126 R CA 0.571 56.783 56.100 0.187 0.000 1.119 126 R CB -0.561 29.861 30.300 0.203 0.000 1.189 126 R HN 0.704 nan 8.270 nan 0.000 0.596 127 I N -0.729 119.923 120.570 0.135 0.000 3.149 127 I HA 0.276 4.446 4.170 0.000 0.000 0.310 127 I C -0.774 175.403 176.117 0.100 0.000 1.343 127 I CA -0.602 60.745 61.300 0.078 0.000 0.955 127 I CB 1.856 39.902 38.000 0.076 0.000 1.309 127 I HN 0.530 nan 8.210 nan 0.000 0.478 128 A N 3.246 126.110 122.820 0.074 0.000 2.519 128 A HA 0.100 4.420 4.320 0.000 0.000 0.297 128 A C 0.811 178.503 177.584 0.180 0.000 1.472 128 A CA 1.416 53.549 52.037 0.160 0.000 0.739 128 A CB -2.107 16.994 19.000 0.169 0.000 1.096 128 A HN 2.085 nan 8.150 nan 0.000 0.414 129 G N -1.675 107.059 108.800 -0.110 0.000 3.254 129 G HA2 0.132 4.092 3.960 0.000 0.000 0.219 129 G HA3 0.132 4.092 3.960 0.000 0.000 0.219 129 G C 0.173 174.607 174.900 -0.777 0.000 0.964 129 G CA 0.616 45.522 45.100 -0.323 0.000 0.823 129 G HN 1.396 nan 8.290 nan 0.000 0.579 130 Q N 1.041 120.443 119.800 -0.664 0.000 3.159 130 Q HA 0.512 4.852 4.340 0.000 0.000 0.280 130 Q C -0.094 175.574 176.000 -0.552 0.000 1.403 130 Q CA -0.081 55.460 55.803 -0.436 0.000 0.957 130 Q CB -0.858 27.787 28.738 -0.154 0.000 1.729 130 Q HN 0.633 nan 8.270 nan 0.000 0.551 131 Y N -0.316 119.856 120.300 -0.213 0.000 2.660 131 Y HA 0.599 5.149 4.550 -0.000 0.000 0.254 131 Y C 0.209 175.946 175.900 -0.272 0.000 1.176 131 Y CA -0.377 57.587 58.100 -0.228 0.000 1.195 131 Y CB 0.878 39.206 38.460 -0.219 0.000 1.190 131 Y HN 0.381 nan 8.280 nan 0.000 0.535 132 A N 1.480 124.212 122.820 -0.147 0.000 2.520 132 A HA 0.796 5.116 4.320 0.000 0.000 0.298 132 A C -1.182 176.303 177.584 -0.165 0.000 1.051 132 A CA -0.903 51.020 52.037 -0.190 0.000 0.690 132 A CB 1.554 20.438 19.000 -0.192 0.000 1.281 132 A HN 0.244 nan 8.150 nan 0.000 0.402 133 K N 1.778 122.074 120.400 -0.174 0.000 2.498 133 K HA 0.755 5.075 4.320 0.000 0.000 0.254 133 K C -3.215 173.318 176.600 -0.113 0.000 0.933 133 K CA -1.835 54.385 56.287 -0.112 0.000 0.806 133 K CB 2.767 35.240 32.500 -0.046 0.000 1.301 133 K HN 0.388 nan 8.250 nan 0.000 0.432 134 P HA 0.183 nan 4.420 nan 0.000 0.274 134 P C -0.988 176.290 177.300 -0.035 0.000 1.246 134 P CA -0.556 62.502 63.100 -0.069 0.000 0.795 134 P CB 0.585 32.248 31.700 -0.061 0.000 1.006 135 R N 0.567 121.051 120.500 -0.026 0.000 2.515 135 R HA 0.209 4.549 4.340 0.000 0.000 0.291 135 R C 0.876 177.179 176.300 0.004 0.000 1.046 135 R CA -0.391 55.709 56.100 0.000 0.000 0.914 135 R CB 1.482 31.784 30.300 0.003 0.000 1.191 135 R HN 0.575 nan 8.270 nan 0.000 0.435 136 S N 0.332 116.041 115.700 0.014 0.000 2.603 136 S HA 0.100 4.570 4.470 0.000 0.000 0.220 136 S C 0.793 175.402 174.600 0.015 0.000 0.967 136 S CA 0.091 58.299 58.200 0.014 0.000 0.920 136 S CB 0.354 63.566 63.200 0.020 0.000 0.773 136 S HN 0.530 nan 8.310 nan 0.000 0.529 137 A N 2.198 125.029 122.820 0.018 0.000 2.322 137 A HA 0.545 4.865 4.320 0.000 0.000 0.327 137 A C 0.553 178.146 177.584 0.014 0.000 1.394 137 A CA -0.687 51.360 52.037 0.017 0.000 0.921 137 A CB 0.483 19.496 19.000 0.022 0.000 1.153 137 A HN 0.320 nan 8.150 nan 0.000 0.523 138 D N 2.269 122.674 120.400 0.008 0.000 2.144 138 D HA -0.083 4.557 4.640 0.000 0.000 0.199 138 D C 0.453 176.756 176.300 0.005 0.000 0.984 138 D CA 1.149 55.152 54.000 0.005 0.000 0.834 138 D CB -0.216 40.582 40.800 -0.003 0.000 0.955 138 D HN 0.511 nan 8.370 nan 0.000 0.465 139 I N 1.576 122.147 120.570 0.002 0.000 2.433 139 I HA 0.209 4.379 4.170 0.000 0.000 0.292 139 I C -0.062 176.055 176.117 -0.000 0.000 1.001 139 I CA -1.168 60.131 61.300 -0.002 0.000 1.119 139 I CB 1.719 39.714 38.000 -0.008 0.000 1.289 139 I HN -0.057 nan 8.210 nan 0.000 0.438 140 D N 5.432 125.830 120.400 -0.003 0.000 2.425 140 D HA 0.216 4.856 4.640 0.000 0.000 0.274 140 D C 0.957 177.245 176.300 -0.019 0.000 1.242 140 D CA -0.465 53.532 54.000 -0.005 0.000 1.060 140 D CB 0.776 41.573 40.800 -0.005 0.000 1.112 140 D HN 0.500 nan 8.370 nan 0.000 0.561 141 A N -1.022 121.782 122.820 -0.027 0.000 2.119 141 A HA 0.090 4.410 4.320 0.000 0.000 0.216 141 A C 2.068 179.625 177.584 -0.044 0.000 1.152 141 A CA 0.459 52.476 52.037 -0.033 0.000 0.708 141 A CB -0.608 18.370 19.000 -0.037 0.000 0.805 141 A HN 0.507 nan 8.150 nan 0.000 0.460 142 L N -1.505 119.686 121.223 -0.054 0.000 2.640 142 L HA 0.275 4.615 4.340 0.000 0.000 0.230 142 L C 1.326 178.168 176.870 -0.047 0.000 1.123 142 L CA 0.458 55.263 54.840 -0.059 0.000 0.900 142 L CB -0.260 41.749 42.059 -0.083 0.000 1.146 142 L HN 0.492 nan 8.230 nan 0.000 0.484 143 G N 1.563 110.340 108.800 -0.037 0.000 2.212 143 G HA2 -0.237 3.723 3.960 0.000 0.000 0.255 143 G HA3 -0.237 3.723 3.960 0.000 0.000 0.255 143 G C -0.274 174.608 174.900 -0.030 0.000 1.062 143 G CA -0.052 45.030 45.100 -0.029 0.000 0.815 143 G HN 0.229 nan 8.290 nan 0.000 0.497 144 L N -0.595 120.609 121.223 -0.032 0.000 2.323 144 L HA 0.611 4.951 4.340 0.000 0.000 0.265 144 L C 1.046 177.910 176.870 -0.009 0.000 1.012 144 L CA -1.426 53.398 54.840 -0.026 0.000 0.820 144 L CB 1.267 43.300 42.059 -0.043 0.000 1.334 144 L HN 0.040 nan 8.230 nan 0.000 0.427 145 R N 1.311 121.811 120.500 0.000 0.000 2.488 145 R HA 0.050 4.390 4.340 0.000 0.000 0.317 145 R C -0.184 176.148 176.300 0.053 0.000 0.941 145 R CA -0.134 55.978 56.100 0.020 0.000 1.076 145 R CB -0.150 30.160 30.300 0.016 0.000 0.917 145 R HN 0.570 nan 8.270 nan 0.000 0.407 146 S N 3.058 118.789 115.700 0.053 0.000 2.599 146 S HA -0.178 4.292 4.470 0.000 0.000 0.303 146 S C 0.061 174.729 174.600 0.113 0.000 1.267 146 S CA 0.051 58.296 58.200 0.074 0.000 1.055 146 S CB 0.051 63.283 63.200 0.054 0.000 0.790 146 S HN 0.482 nan 8.310 nan 0.000 0.500 147 Y N 3.018 123.322 120.300 0.006 0.000 2.465 147 Y HA 0.172 4.722 4.550 -0.000 0.000 0.331 147 Y C 1.118 177.022 175.900 0.006 0.000 1.102 147 Y CA 0.014 58.125 58.100 0.018 0.000 1.358 147 Y CB 0.301 38.797 38.460 0.059 0.000 1.213 147 Y HN 0.584 nan 8.280 nan 0.000 0.525 148 R N 4.679 124.845 120.500 -0.557 0.000 2.652 148 R HA 0.299 4.639 4.340 0.000 0.000 0.372 148 R C -0.222 175.702 176.300 -0.628 0.000 1.104 148 R CA 0.199 56.002 56.100 -0.495 0.000 1.072 148 R CB 0.350 30.424 30.300 -0.377 0.000 1.367 148 R HN 1.022 nan 8.270 nan 0.000 0.577 149 G N 0.888 109.019 108.800 -1.116 0.000 2.692 149 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 149 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 149 G C -0.279 174.318 174.900 -0.505 0.000 1.243 149 G CA -0.798 43.900 45.100 -0.670 0.000 0.782 149 G HN 0.166 nan 8.290 nan 0.000 0.625 150 D N 0.333 120.527 120.400 -0.344 0.000 2.310 150 D HA -0.063 4.577 4.640 0.000 0.000 0.212 150 D C 2.376 178.420 176.300 -0.428 0.000 0.965 150 D CA 1.218 54.909 54.000 -0.515 0.000 0.879 150 D CB 0.024 40.081 40.800 -1.238 0.000 0.921 150 D HN 0.503 nan 8.370 nan 0.000 0.510 151 M N -0.446 119.005 119.600 -0.247 0.000 2.562 151 M HA 0.002 4.482 4.480 0.000 0.000 0.257 151 M C 1.048 177.374 176.300 0.043 0.000 1.099 151 M CA 1.054 56.317 55.300 -0.060 0.000 1.099 151 M CB 0.315 32.859 32.600 -0.092 0.000 1.427 151 M HN -0.041 nan 8.290 nan 0.000 0.489 152 I N -0.710 119.816 120.570 -0.074 0.000 3.570 152 I HA 0.133 4.303 4.170 0.000 0.000 0.270 152 I C 0.220 176.324 176.117 -0.023 0.000 1.162 152 I CA -0.109 61.147 61.300 -0.074 0.000 1.413 152 I CB 0.077 37.811 38.000 -0.443 0.000 1.437 152 I HN 0.313 nan 8.210 nan 0.000 0.457 153 N N 0.728 119.367 118.700 -0.102 0.000 3.344 153 N HA 0.408 5.148 4.740 0.000 0.000 0.296 153 N C -0.623 174.959 175.510 0.120 0.000 1.571 153 N CA -0.437 52.639 53.050 0.044 0.000 0.844 153 N CB 0.658 39.198 38.487 0.089 0.000 1.718 153 N HN -0.005 nan 8.380 nan 0.000 0.589 154 G N -1.564 107.378 108.800 0.237 0.000 2.432 154 G HA2 0.432 4.392 3.960 0.000 0.000 0.331 154 G HA3 0.432 4.392 3.960 0.000 0.000 0.331 154 G C -0.615 174.511 174.900 0.377 0.000 1.170 154 G CA -0.744 44.547 45.100 0.319 0.000 0.943 154 G HN 0.450 nan 8.290 nan 0.000 0.483 155 F N 2.468 122.416 119.950 -0.004 0.000 2.234 155 F HA 0.214 4.741 4.527 -0.000 0.000 0.299 155 F C 2.049 177.742 175.800 -0.179 0.000 1.087 155 F CA 0.654 58.386 58.000 -0.445 0.000 1.340 155 F CB 0.031 38.657 39.000 -0.624 0.000 1.031 155 F HN 0.486 nan 8.300 nan 0.000 0.500 156 A N 2.674 125.463 122.820 -0.051 0.000 2.573 156 A HA 0.059 4.378 4.320 0.000 0.000 0.250 156 A C -1.976 175.492 177.584 -0.193 0.000 1.049 156 A CA -0.713 51.265 52.037 -0.099 0.000 0.767 156 A CB -0.984 18.017 19.000 0.002 0.000 0.965 156 A HN 0.237 nan 8.150 nan 0.000 0.514 157 P HA 0.097 nan 4.420 nan 0.000 0.235 157 P C -1.042 176.190 177.300 -0.113 0.000 1.720 157 P CA 0.397 63.365 63.100 -0.219 0.000 1.003 157 P CB -0.743 30.818 31.700 -0.231 0.000 1.968 158 D N -1.335 119.020 120.400 -0.074 0.000 2.732 158 D HA 0.449 5.089 4.640 0.000 0.000 0.229 158 D C 1.002 177.291 176.300 -0.018 0.000 1.152 158 D CA -1.120 52.858 54.000 -0.038 0.000 0.854 158 D CB 1.015 41.802 40.800 -0.022 0.000 1.590 158 D HN -0.131 nan 8.370 nan 0.000 0.468 159 A N 2.052 124.865 122.820 -0.013 0.000 1.908 159 A HA 0.022 4.342 4.320 0.000 0.000 0.218 159 A C 2.178 179.770 177.584 0.013 0.000 1.181 159 A CA 2.311 54.346 52.037 -0.003 0.000 0.627 159 A CB -1.258 17.738 19.000 -0.007 0.000 0.818 159 A HN 0.801 nan 8.150 nan 0.000 0.445 160 A N -0.167 122.662 122.820 0.016 0.000 1.858 160 A HA 0.142 4.462 4.320 0.000 0.000 0.216 160 A C 2.528 180.140 177.584 0.048 0.000 1.190 160 A CA 2.238 54.292 52.037 0.028 0.000 0.617 160 A CB -1.139 17.875 19.000 0.024 0.000 0.827 160 A HN 1.173 nan 8.150 nan 0.000 0.443 161 A N -1.034 121.814 122.820 0.046 0.000 2.019 161 A HA -0.115 4.205 4.320 0.000 0.000 0.219 161 A C 2.051 179.695 177.584 0.099 0.000 1.164 161 A CA 1.265 53.344 52.037 0.070 0.000 0.644 161 A CB -0.348 18.685 19.000 0.055 0.000 0.805 161 A HN 0.363 nan 8.150 nan 0.000 0.449 162 R N 0.358 120.909 120.500 0.084 0.000 2.310 162 R HA 0.095 4.435 4.340 0.000 0.000 0.202 162 R C -0.473 175.920 176.300 0.155 0.000 0.933 162 R CA 0.135 56.305 56.100 0.116 0.000 1.054 162 R CB -0.050 30.293 30.300 0.072 0.000 0.985 162 R HN 0.441 nan 8.270 nan 0.000 0.489 163 E N 1.214 121.490 120.200 0.127 0.000 2.289 163 E HA 0.061 4.412 4.350 0.000 0.000 0.278 163 E C -0.338 176.417 176.600 0.258 0.000 1.032 163 E CA -0.095 56.382 56.400 0.129 0.000 0.854 163 E CB 0.453 30.195 29.700 0.069 0.000 1.046 163 E HN 0.264 nan 8.360 nan 0.000 0.409 164 H N 2.138 121.274 119.070 0.110 0.000 3.138 164 H HA -0.000 4.556 4.556 -0.000 0.000 0.275 164 H C -0.172 175.389 175.328 0.389 0.000 0.997 164 H CA -0.158 56.018 56.048 0.213 0.000 1.460 164 H CB 0.546 30.367 29.762 0.099 0.000 1.524 164 H HN 0.227 nan 8.280 nan 0.000 0.532 165 D N 5.318 125.993 120.400 0.458 0.000 2.344 165 D HA 0.137 4.777 4.640 0.000 0.000 0.239 165 D C -1.988 174.338 176.300 0.044 0.000 1.064 165 D CA -2.762 51.385 54.000 0.244 0.000 0.829 165 D CB 1.921 42.804 40.800 0.139 0.000 1.129 165 D HN 0.215 nan 8.370 nan 0.000 0.506 166 P HA -0.044 nan 4.420 nan 0.000 0.233 166 P C 1.223 178.261 177.300 -0.437 0.000 1.167 166 P CA 0.541 63.054 63.100 -0.978 0.000 0.770 166 P CB 0.151 31.177 31.700 -1.123 0.000 0.837 167 S N -0.045 115.530 115.700 -0.208 0.000 2.442 167 S HA -0.124 4.346 4.470 0.000 0.000 0.236 167 S C 1.892 176.463 174.600 -0.048 0.000 1.007 167 S CA 0.579 58.715 58.200 -0.106 0.000 0.965 167 S CB -0.858 62.311 63.200 -0.051 0.000 0.773 167 S HN 0.096 nan 8.310 nan 0.000 0.504 168 R N 0.517 121.011 120.500 -0.010 0.000 2.237 168 R HA 0.160 4.500 4.340 0.000 0.000 0.219 168 R C 1.997 178.350 176.300 0.088 0.000 1.080 168 R CA 0.932 57.094 56.100 0.104 0.000 0.995 168 R CB -0.587 29.816 30.300 0.171 0.000 0.875 168 R HN 0.465 nan 8.270 nan 0.000 0.462 169 L N -0.116 121.109 121.223 0.003 0.000 2.017 169 L HA -0.185 4.155 4.340 0.000 0.000 0.208 169 L C 2.244 179.194 176.870 0.134 0.000 1.073 169 L CA 1.192 56.082 54.840 0.083 0.000 0.745 169 L CB -0.422 41.642 42.059 0.008 0.000 0.894 169 L HN 0.011 nan 8.230 nan 0.000 0.432 170 V N -0.443 119.499 119.914 0.047 0.000 2.548 170 V HA -0.206 3.914 4.120 0.000 0.000 0.249 170 V C 2.561 178.680 176.094 0.043 0.000 1.055 170 V CA 1.516 63.855 62.300 0.064 0.000 1.065 170 V CB -0.574 31.252 31.823 0.004 0.000 0.681 170 V HN 0.404 nan 8.190 nan 0.000 0.462 171 R N 0.505 120.969 120.500 -0.059 0.000 2.115 171 R HA -0.061 4.279 4.340 0.000 0.000 0.226 171 R C 2.220 178.220 176.300 -0.500 0.000 1.100 171 R CA 1.402 57.335 56.100 -0.279 0.000 0.980 171 R CB -0.387 29.752 30.300 -0.268 0.000 0.875 171 R HN 0.464 nan 8.270 nan 0.000 0.445 172 A N -0.094 122.615 122.820 -0.184 0.000 1.930 172 A HA -0.196 4.124 4.320 0.000 0.000 0.217 172 A C 1.952 179.509 177.584 -0.045 0.000 1.175 172 A CA 1.236 53.164 52.037 -0.182 0.000 0.627 172 A CB -0.780 18.180 19.000 -0.065 0.000 0.815 172 A HN 0.606 nan 8.150 nan 0.000 0.443 173 Y N 0.679 121.008 120.300 0.049 0.000 2.133 173 Y HA -0.032 4.518 4.550 -0.000 0.000 0.287 173 Y C 2.613 178.517 175.900 0.008 0.000 1.134 173 Y CA 1.255 59.436 58.100 0.135 0.000 1.133 173 Y CB -0.765 37.770 38.460 0.125 0.000 0.987 173 Y HN 0.284 nan 8.280 nan 0.000 0.502 174 A N 0.907 123.628 122.820 -0.165 0.000 1.958 174 A HA -0.283 4.037 4.320 0.000 0.000 0.221 174 A C 2.079 179.473 177.584 -0.316 0.000 1.178 174 A CA 2.252 54.111 52.037 -0.296 0.000 0.642 174 A CB -0.926 17.975 19.000 -0.166 0.000 0.816 174 A HN 0.750 nan 8.150 nan 0.000 0.453 175 N N -0.369 118.138 118.700 -0.321 0.000 2.290 175 N HA 0.007 4.747 4.740 0.000 0.000 0.179 175 N C 2.027 177.520 175.510 -0.028 0.000 1.016 175 N CA 0.972 53.890 53.050 -0.219 0.000 0.871 175 N CB -0.211 38.051 38.487 -0.375 0.000 0.987 175 N HN 0.486 nan 8.380 nan 0.000 0.431 176 A N 1.506 124.344 122.820 0.030 0.000 1.933 176 A HA -0.154 4.166 4.320 0.000 0.000 0.218 176 A C 2.464 180.047 177.584 -0.000 0.000 1.175 176 A CA 2.011 54.147 52.037 0.164 0.000 0.628 176 A CB -0.583 18.597 19.000 0.299 0.000 0.814 176 A HN 0.433 nan 8.150 nan 0.000 0.444 177 S N -0.036 115.532 115.700 -0.219 0.000 2.377 177 S HA 0.142 4.612 4.470 0.000 0.000 0.223 177 S C 2.155 176.678 174.600 -0.128 0.000 1.030 177 S CA 1.143 59.202 58.200 -0.235 0.000 0.970 177 S CB -0.714 62.177 63.200 -0.515 0.000 0.830 177 S HN 0.868 nan 8.310 nan 0.000 0.473 178 A N 2.326 125.065 122.820 -0.135 0.000 1.908 178 A HA 0.215 4.535 4.320 0.000 0.000 0.218 178 A C 2.539 180.115 177.584 -0.013 0.000 1.181 178 A CA 1.964 53.961 52.037 -0.068 0.000 0.627 178 A CB -1.518 17.438 19.000 -0.073 0.000 0.818 178 A HN 0.888 nan 8.150 nan 0.000 0.445 179 A N -1.330 121.501 122.820 0.018 0.000 1.898 179 A HA -0.066 4.254 4.320 0.000 0.000 0.216 179 A C 2.171 179.786 177.584 0.052 0.000 1.181 179 A CA 2.122 54.195 52.037 0.060 0.000 0.620 179 A CB -0.439 18.632 19.000 0.119 0.000 0.819 179 A HN 0.531 nan 8.150 nan 0.000 0.442 180 M N 0.369 119.997 119.600 0.048 0.000 2.229 180 M HA -0.073 4.407 4.480 0.000 0.000 0.264 180 M C 1.631 177.951 176.300 0.033 0.000 1.063 180 M CA 1.853 57.184 55.300 0.052 0.000 1.114 180 M CB -0.673 31.960 32.600 0.055 0.000 1.387 180 M HN 0.504 nan 8.290 nan 0.000 0.420 181 N N -0.290 118.417 118.700 0.013 0.000 2.272 181 N HA -0.167 4.573 4.740 0.000 0.000 0.185 181 N C 1.384 176.903 175.510 0.014 0.000 1.014 181 N CA 1.292 54.347 53.050 0.008 0.000 0.870 181 N CB -0.151 38.333 38.487 -0.006 0.000 0.975 181 N HN 0.409 nan 8.380 nan 0.000 0.433 182 L N -0.051 121.183 121.223 0.019 0.000 2.145 182 L HA 0.100 4.440 4.340 0.000 0.000 0.201 182 L C 2.283 179.166 176.870 0.022 0.000 1.075 182 L CA 1.061 55.913 54.840 0.020 0.000 0.773 182 L CB -0.871 41.202 42.059 0.023 0.000 0.936 182 L HN 0.199 nan 8.230 nan 0.000 0.451 183 V N -1.721 118.209 119.914 0.026 0.000 2.392 183 V HA -0.280 3.840 4.120 0.000 0.000 0.249 183 V C 2.575 178.677 176.094 0.014 0.000 1.059 183 V CA 1.939 64.252 62.300 0.021 0.000 1.051 183 V CB -0.954 30.886 31.823 0.030 0.000 0.658 183 V HN 0.480 nan 8.190 nan 0.000 0.455 184 R N 0.887 121.398 120.500 0.019 0.000 2.080 184 R HA -0.072 4.268 4.340 0.000 0.000 0.236 184 R C 2.666 178.971 176.300 0.008 0.000 1.137 184 R CA 1.861 57.967 56.100 0.011 0.000 0.943 184 R CB -0.909 29.403 30.300 0.020 0.000 0.846 184 R HN 0.642 nan 8.270 nan 0.000 0.431 185 A N 1.108 123.936 122.820 0.013 0.000 1.883 185 A HA -0.160 4.160 4.320 0.000 0.000 0.217 185 A C 2.206 179.801 177.584 0.018 0.000 1.186 185 A CA 1.333 53.379 52.037 0.014 0.000 0.624 185 A CB -0.623 18.387 19.000 0.016 0.000 0.822 185 A HN 0.195 nan 8.150 nan 0.000 0.444 186 L N -0.298 120.938 121.223 0.021 0.000 2.027 186 L HA -0.138 4.202 4.340 0.000 0.000 0.206 186 L C 2.965 179.852 176.870 0.028 0.000 1.074 186 L CA 1.806 56.664 54.840 0.030 0.000 0.745 186 L CB -0.960 41.118 42.059 0.032 0.000 0.898 186 L HN 0.647 nan 8.230 nan 0.000 0.433 187 T N -3.773 110.789 114.554 0.013 0.000 2.962 187 T HA -0.109 4.241 4.350 0.000 0.000 0.270 187 T C 1.721 176.418 174.700 -0.005 0.000 1.088 187 T CA 1.099 63.199 62.100 -0.000 0.000 1.127 187 T CB -0.292 68.559 68.868 -0.029 0.000 0.883 187 T HN 0.402 nan 8.240 nan 0.000 0.493 188 S N 0.515 116.215 115.700 -0.000 0.000 2.540 188 S HA 0.293 4.763 4.470 0.000 0.000 0.218 188 S C 1.145 175.750 174.600 0.007 0.000 0.977 188 S CA -0.042 58.157 58.200 -0.002 0.000 0.918 188 S CB -0.128 63.070 63.200 -0.002 0.000 0.806 188 S HN 0.725 nan 8.310 nan 0.000 0.496 189 S N 0.661 116.371 115.700 0.016 0.000 2.589 189 S HA 0.688 5.158 4.470 0.000 0.000 0.272 189 S C 1.433 176.049 174.600 0.027 0.000 1.096 189 S CA 0.006 58.219 58.200 0.022 0.000 0.985 189 S CB 0.000 63.218 63.200 0.029 0.000 1.278 189 S HN 0.298 nan 8.310 nan 0.000 0.528 190 G N -0.103 108.718 108.800 0.035 0.000 2.848 190 G HA2 0.084 4.044 3.960 0.000 0.000 0.208 190 G HA3 0.084 4.044 3.960 0.000 0.000 0.208 190 G C 1.060 175.991 174.900 0.052 0.000 1.152 190 G CA 0.368 45.488 45.100 0.032 0.000 0.789 190 G HN 0.525 nan 8.290 nan 0.000 0.531 191 L N 0.817 122.093 121.223 0.088 0.000 2.291 191 L HA 0.363 4.703 4.340 0.000 0.000 0.214 191 L C 2.165 179.128 176.870 0.155 0.000 1.120 191 L CA 1.451 56.391 54.840 0.167 0.000 0.799 191 L CB -0.118 42.035 42.059 0.156 0.000 0.925 191 L HN 0.123 nan 8.230 nan 0.000 0.446 192 A N -1.357 121.508 122.820 0.076 0.000 2.630 192 A HA 0.320 4.640 4.320 0.000 0.000 0.290 192 A C 0.824 178.410 177.584 0.004 0.000 1.267 192 A CA 0.167 52.233 52.037 0.049 0.000 0.950 192 A CB -0.526 18.490 19.000 0.027 0.000 1.144 192 A HN 0.289 nan 8.150 nan 0.000 0.527 193 S N 0.246 115.938 115.700 -0.012 0.000 2.498 193 S HA 0.190 4.660 4.470 0.000 0.000 0.281 193 S C 1.242 175.785 174.600 -0.096 0.000 1.265 193 S CA -0.400 57.773 58.200 -0.045 0.000 1.071 193 S CB 0.172 63.358 63.200 -0.025 0.000 0.894 193 S HN 0.629 nan 8.310 nan 0.000 0.491 194 L N 6.708 127.831 121.223 -0.168 0.000 2.081 194 L HA -0.109 4.231 4.340 0.000 0.000 0.212 194 L C 2.136 178.859 176.870 -0.245 0.000 1.080 194 L CA 2.070 56.771 54.840 -0.232 0.000 0.754 194 L CB -0.961 40.895 42.059 -0.338 0.000 0.893 194 L HN 0.862 nan 8.230 nan 0.000 0.433 195 H N -1.004 118.036 119.070 -0.050 0.000 2.276 195 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 195 H C 2.184 177.434 175.328 -0.129 0.000 1.073 195 H CA 1.740 57.756 56.048 -0.054 0.000 1.311 195 H CB -0.685 29.044 29.762 -0.055 0.000 1.379 195 H HN 0.348 nan 8.280 nan 0.000 0.494 196 L N 1.313 122.480 121.223 -0.092 0.000 2.129 196 L HA -0.132 4.208 4.340 0.000 0.000 0.212 196 L C 2.245 178.720 176.870 -0.659 0.000 1.087 196 L CA 1.081 55.697 54.840 -0.373 0.000 0.757 196 L CB -0.731 41.113 42.059 -0.359 0.000 0.896 196 L HN -0.031 nan 8.230 nan 0.000 0.434 197 V N -0.976 118.733 119.914 -0.341 0.000 2.427 197 V HA -0.266 3.854 4.120 0.000 0.000 0.248 197 V C 2.464 178.580 176.094 0.036 0.000 1.051 197 V CA 1.856 64.067 62.300 -0.147 0.000 1.048 197 V CB -0.887 30.973 31.823 0.061 0.000 0.666 197 V HN 0.626 nan 8.190 nan 0.000 0.456 198 H N 0.064 119.088 119.070 -0.077 0.000 2.502 198 H HA -0.042 4.513 4.556 -0.000 0.000 0.283 198 H C 1.941 177.278 175.328 0.015 0.000 1.015 198 H CA 1.002 57.059 56.048 0.016 0.000 1.298 198 H CB -0.136 29.631 29.762 0.008 0.000 1.411 198 H HN 0.335 nan 8.280 nan 0.000 0.556 199 D N -0.320 120.002 120.400 -0.130 0.000 2.190 199 D HA -0.201 4.439 4.640 0.000 0.000 0.200 199 D C 1.511 177.767 176.300 -0.074 0.000 0.992 199 D CA 0.822 54.713 54.000 -0.182 0.000 0.854 199 D CB -0.260 40.359 40.800 -0.302 0.000 0.936 199 D HN 0.511 nan 8.370 nan 0.000 0.462 200 W N 1.072 122.375 121.300 0.005 0.000 2.467 200 W HA 0.019 4.679 4.660 -0.000 0.000 0.275 200 W C 1.805 178.345 176.519 0.035 0.000 1.239 200 W CA 0.211 57.568 57.345 0.019 0.000 1.266 200 W CB -0.774 28.701 29.460 0.026 0.000 1.112 200 W HN 0.036 nan 8.180 nan 0.000 0.576 201 N N 0.047 118.867 118.700 0.199 0.000 2.207 201 N HA -0.068 4.672 4.740 0.000 0.000 0.182 201 N C 1.789 177.349 175.510 0.083 0.000 1.020 201 N CA 0.940 54.106 53.050 0.195 0.000 0.858 201 N CB -0.658 37.944 38.487 0.192 0.000 0.991 201 N HN 0.158 nan 8.380 nan 0.000 0.427 202 R N 0.920 121.333 120.500 -0.145 0.000 2.096 202 R HA -0.061 4.279 4.340 0.000 0.000 0.235 202 R C 1.802 178.082 176.300 -0.035 0.000 1.127 202 R CA 0.988 57.013 56.100 -0.124 0.000 0.968 202 R CB -0.126 30.080 30.300 -0.157 0.000 0.861 202 R HN 0.400 nan 8.270 nan 0.000 0.440 203 E N 0.012 120.231 120.200 0.032 0.000 2.208 203 E HA -0.157 4.193 4.350 0.000 0.000 0.193 203 E C 1.495 178.139 176.600 0.073 0.000 0.988 203 E CA 0.454 56.887 56.400 0.056 0.000 0.828 203 E CB -0.005 29.761 29.700 0.109 0.000 0.763 203 E HN 0.219 nan 8.360 nan 0.000 0.478 204 F N 0.158 120.100 119.950 -0.013 0.000 2.365 204 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 204 F C 1.457 177.214 175.800 -0.071 0.000 1.090 204 F CA 0.842 58.813 58.000 -0.048 0.000 1.408 204 F CB -0.013 38.947 39.000 -0.067 0.000 1.060 204 F HN -0.131 nan 8.300 nan 0.000 0.534 205 V N 0.551 120.186 119.914 -0.465 0.000 2.725 205 V HA -0.066 4.054 4.120 0.000 0.000 0.247 205 V C 2.438 178.354 176.094 -0.297 0.000 1.058 205 V CA 1.375 63.361 62.300 -0.523 0.000 1.080 205 V CB -0.621 31.036 31.823 -0.277 0.000 0.713 205 V HN 0.209 nan 8.190 nan 0.000 0.465 206 R N 0.976 121.371 120.500 -0.175 0.000 2.073 206 R HA -0.085 4.255 4.340 0.000 0.000 0.229 206 R C 2.235 178.472 176.300 -0.104 0.000 1.120 206 R CA 1.883 57.918 56.100 -0.109 0.000 0.967 206 R CB -0.474 29.792 30.300 -0.058 0.000 0.862 206 R HN 0.662 nan 8.270 nan 0.000 0.436 207 T N -2.598 111.900 114.554 -0.093 0.000 3.122 207 T HA 0.120 4.470 4.350 0.000 0.000 0.250 207 T C 0.586 175.254 174.700 -0.053 0.000 1.067 207 T CA -0.352 61.719 62.100 -0.047 0.000 0.966 207 T CB 0.450 69.320 68.868 0.004 0.000 1.002 207 T HN -0.055 nan 8.240 nan 0.000 0.542 208 S N 1.989 117.599 115.700 -0.150 0.000 2.578 208 S HA 0.496 4.966 4.470 0.000 0.000 0.283 208 S C -1.439 173.093 174.600 -0.113 0.000 1.195 208 S CA -1.664 56.464 58.200 -0.120 0.000 1.050 208 S CB 1.590 64.629 63.200 -0.269 0.000 1.012 208 S HN 0.083 nan 8.310 nan 0.000 0.511 209 P HA 0.139 nan 4.420 nan 0.000 0.221 209 P C 0.178 177.444 177.300 -0.057 0.000 1.155 209 P CA 0.477 63.547 63.100 -0.049 0.000 0.812 209 P CB -0.130 31.556 31.700 -0.024 0.000 0.801 210 A N 0.286 123.090 122.820 -0.026 0.000 3.091 210 A HA 0.502 4.822 4.320 0.000 0.000 0.264 210 A C 1.362 178.903 177.584 -0.071 0.000 1.673 210 A CA 0.165 52.200 52.037 -0.003 0.000 1.362 210 A CB -1.167 17.927 19.000 0.156 0.000 1.137 210 A HN 0.271 nan 8.150 nan 0.000 0.617 211 G N 0.179 108.876 108.800 -0.170 0.000 2.894 211 G HA2 0.282 4.242 3.960 0.000 0.000 0.202 211 G HA3 0.282 4.242 3.960 0.000 0.000 0.202 211 G C 1.535 176.320 174.900 -0.191 0.000 1.130 211 G CA 0.774 45.724 45.100 -0.251 0.000 0.820 211 G HN 0.806 nan 8.290 nan 0.000 0.647 212 A N 0.870 123.595 122.820 -0.159 0.000 1.997 212 A HA -0.116 4.204 4.320 0.000 0.000 0.221 212 A C 2.221 179.702 177.584 -0.172 0.000 1.172 212 A CA 2.122 54.079 52.037 -0.132 0.000 0.645 212 A CB -0.459 18.478 19.000 -0.106 0.000 0.813 212 A HN 0.350 nan 8.150 nan 0.000 0.454 213 R N -2.091 118.230 120.500 -0.298 0.000 2.075 213 R HA -0.150 4.190 4.340 0.000 0.000 0.232 213 R C 1.303 177.338 176.300 -0.441 0.000 1.126 213 R CA 1.869 57.683 56.100 -0.476 0.000 0.963 213 R CB -0.222 29.584 30.300 -0.823 0.000 0.858 213 R HN 0.620 nan 8.270 nan 0.000 0.435 214 Y N -0.351 119.916 120.300 -0.055 0.000 2.458 214 Y HA 0.172 4.722 4.550 0.000 0.000 0.254 214 Y C 1.965 177.894 175.900 0.048 0.000 1.120 214 Y CA -0.245 57.860 58.100 0.009 0.000 1.282 214 Y CB 0.034 38.346 38.460 -0.247 0.000 1.109 214 Y HN 0.064 nan 8.280 nan 0.000 0.526 215 E N 1.176 121.416 120.200 0.067 0.000 2.085 215 E HA -0.250 4.100 4.350 0.000 0.000 0.194 215 E C 2.243 178.895 176.600 0.085 0.000 0.994 215 E CA 1.130 57.557 56.400 0.044 0.000 0.801 215 E CB 0.029 29.715 29.700 -0.024 0.000 0.743 215 E HN 0.430 nan 8.360 nan 0.000 0.453 216 A N 1.523 124.387 122.820 0.074 0.000 1.859 216 A HA -0.259 4.061 4.320 0.000 0.000 0.218 216 A C 2.277 179.920 177.584 0.099 0.000 1.242 216 A CA 2.089 54.168 52.037 0.070 0.000 0.661 216 A CB -1.166 17.869 19.000 0.059 0.000 0.842 216 A HN 0.363 nan 8.150 nan 0.000 0.455 217 L N -0.575 120.745 121.223 0.161 0.000 2.131 217 L HA -0.044 4.296 4.340 0.000 0.000 0.210 217 L C 2.668 179.613 176.870 0.124 0.000 1.092 217 L CA 2.213 57.133 54.840 0.134 0.000 0.759 217 L CB -0.666 41.511 42.059 0.198 0.000 0.903 217 L HN 0.407 nan 8.230 nan 0.000 0.435 218 A N -1.793 121.198 122.820 0.286 0.000 1.972 218 A HA -0.181 4.139 4.320 0.000 0.000 0.219 218 A C 2.245 179.952 177.584 0.204 0.000 1.169 218 A CA 2.162 54.398 52.037 0.331 0.000 0.635 218 A CB -1.005 18.187 19.000 0.319 0.000 0.810 218 A HN 0.505 nan 8.150 nan 0.000 0.446 219 T N -0.820 113.799 114.554 0.109 0.000 2.812 219 T HA -0.085 4.265 4.350 0.000 0.000 0.264 219 T C 1.833 176.539 174.700 0.009 0.000 1.042 219 T CA 1.294 63.431 62.100 0.062 0.000 1.140 219 T CB -0.145 68.746 68.868 0.039 0.000 0.870 219 T HN 0.695 nan 8.240 nan 0.000 0.445 220 E N 0.656 120.832 120.200 -0.040 0.000 2.085 220 E HA -0.114 4.236 4.350 0.000 0.000 0.194 220 E C 1.986 178.395 176.600 -0.318 0.000 0.994 220 E CA 0.990 57.313 56.400 -0.128 0.000 0.801 220 E CB -0.212 29.419 29.700 -0.114 0.000 0.743 220 E HN 0.485 nan 8.360 nan 0.000 0.453 221 I N 0.788 121.110 120.570 -0.414 0.000 2.493 221 I HA -0.202 3.968 4.170 0.000 0.000 0.254 221 I C 2.103 178.030 176.117 -0.317 0.000 1.160 221 I CA 1.169 62.084 61.300 -0.640 0.000 1.445 221 I CB -0.160 37.458 38.000 -0.637 0.000 1.086 221 I HN 0.173 nan 8.210 nan 0.000 0.433 222 D N 0.951 121.315 120.400 -0.060 0.000 2.123 222 D HA -0.148 4.492 4.640 0.000 0.000 0.200 222 D C 2.318 178.646 176.300 0.047 0.000 0.976 222 D CA 1.318 55.363 54.000 0.076 0.000 0.831 222 D CB 0.114 41.005 40.800 0.150 0.000 0.974 222 D HN 0.093 nan 8.370 nan 0.000 0.469 223 R N -0.496 120.017 120.500 0.023 0.000 2.148 223 R HA 0.101 4.441 4.340 0.000 0.000 0.223 223 R C 2.363 178.730 176.300 0.110 0.000 1.088 223 R CA 0.956 57.090 56.100 0.057 0.000 0.985 223 R CB -0.211 30.105 30.300 0.028 0.000 0.880 223 R HN 0.212 nan 8.270 nan 0.000 0.451 224 G N 0.879 109.723 108.800 0.072 0.000 2.408 224 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 224 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 224 G C 1.370 176.387 174.900 0.196 0.000 1.150 224 G CA 0.341 45.558 45.100 0.196 0.000 0.776 224 G HN 0.122 nan 8.290 nan 0.000 0.542 225 L N -0.536 120.744 121.223 0.095 0.000 2.044 225 L HA 0.048 4.388 4.340 0.000 0.000 0.205 225 L C 3.123 180.091 176.870 0.163 0.000 1.075 225 L CA 0.805 55.713 54.840 0.113 0.000 0.747 225 L CB -0.266 41.851 42.059 0.097 0.000 0.903 225 L HN 0.108 nan 8.230 nan 0.000 0.435 226 R N -0.781 119.805 120.500 0.143 0.000 2.115 226 R HA -0.160 4.180 4.340 0.000 0.000 0.230 226 R C 2.297 178.685 176.300 0.147 0.000 1.111 226 R CA 1.388 57.557 56.100 0.116 0.000 0.976 226 R CB -0.311 30.044 30.300 0.092 0.000 0.870 226 R HN 0.277 nan 8.270 nan 0.000 0.445 227 F N 1.978 121.951 119.950 0.039 0.000 2.134 227 F HA -0.250 4.277 4.527 0.000 0.000 0.299 227 F C 2.289 178.111 175.800 0.037 0.000 1.097 227 F CA 1.620 59.641 58.000 0.035 0.000 1.264 227 F CB -0.045 38.979 39.000 0.040 0.000 1.001 227 F HN -0.074 nan 8.300 nan 0.000 0.479 228 M N -1.190 118.331 119.600 -0.132 0.000 2.562 228 M HA 0.024 4.504 4.480 0.000 0.000 0.257 228 M C 1.595 177.815 176.300 -0.134 0.000 1.099 228 M CA 1.444 56.590 55.300 -0.257 0.000 1.099 228 M CB -0.377 32.162 32.600 -0.100 0.000 1.427 228 M HN -0.035 nan 8.290 nan 0.000 0.489 229 S N 1.306 116.980 115.700 -0.043 0.000 2.395 229 S HA 0.163 4.633 4.470 0.000 0.000 0.225 229 S C 2.162 176.722 174.600 -0.067 0.000 1.027 229 S CA 1.069 59.249 58.200 -0.033 0.000 0.965 229 S CB -0.187 62.994 63.200 -0.032 0.000 0.812 229 S HN 0.699 nan 8.310 nan 0.000 0.482 230 A N 0.148 122.925 122.820 -0.072 0.000 2.014 230 A HA -0.079 4.241 4.320 0.000 0.000 0.218 230 A C 2.104 179.623 177.584 -0.109 0.000 1.163 230 A CA 0.999 53.000 52.037 -0.060 0.000 0.652 230 A CB -0.926 18.074 19.000 0.000 0.000 0.808 230 A HN 0.609 nan 8.150 nan 0.000 0.449 231 C N -1.048 118.122 119.300 -0.217 0.000 2.500 231 C HA 0.380 4.840 4.460 0.000 0.000 0.273 231 C C 1.765 176.676 174.990 -0.132 0.000 1.428 231 C CA 0.227 59.110 59.018 -0.225 0.000 1.766 231 C CB -1.443 26.059 27.740 -0.396 0.000 1.817 231 C HN 1.087 nan 8.230 nan 0.000 0.543 232 G N 1.465 110.204 108.800 -0.103 0.000 2.353 232 G HA2 -0.105 3.855 3.960 0.000 0.000 0.294 232 G HA3 -0.105 3.855 3.960 0.000 0.000 0.294 232 G C -0.151 174.714 174.900 -0.058 0.000 1.077 232 G CA 0.361 45.422 45.100 -0.065 0.000 1.098 232 G HN 1.089 nan 8.290 nan 0.000 0.511 233 V N -1.485 118.394 119.914 -0.059 0.000 2.481 233 V HA 0.885 5.005 4.120 0.000 0.000 0.286 233 V C 0.861 176.945 176.094 -0.015 0.000 1.042 233 V CA -0.542 61.733 62.300 -0.042 0.000 0.928 233 V CB 1.598 33.391 31.823 -0.050 0.000 0.986 233 V HN 1.908 nan 8.190 nan 0.000 0.462 234 A N 3.240 126.052 122.820 -0.012 0.000 2.500 234 A HA 0.193 4.513 4.320 0.000 0.000 0.285 234 A C 1.079 178.668 177.584 0.008 0.000 1.183 234 A CA -0.014 52.022 52.037 -0.002 0.000 0.851 234 A CB -0.741 18.256 19.000 -0.006 0.000 1.091 234 A HN 1.003 nan 8.150 nan 0.000 0.521 235 D N 2.537 122.953 120.400 0.028 0.000 2.192 235 D HA -0.338 4.302 4.640 0.000 0.000 0.189 235 D C 2.491 178.801 176.300 0.015 0.000 1.007 235 D CA 2.625 56.652 54.000 0.045 0.000 0.859 235 D CB -0.526 40.317 40.800 0.072 0.000 0.936 235 D HN 0.819 nan 8.370 nan 0.000 0.447 236 R N 0.824 121.331 120.500 0.011 0.000 2.365 236 R HA -0.371 3.969 4.340 0.000 0.000 0.230 236 R C 1.996 178.295 176.300 -0.003 0.000 1.047 236 R CA 2.682 58.783 56.100 0.003 0.000 0.825 236 R CB -2.327 27.973 30.300 0.000 0.000 0.972 236 R HN 0.438 nan 8.270 nan 0.000 0.396 237 N N 0.178 118.874 118.700 -0.007 0.000 2.309 237 N HA -0.005 4.735 4.740 0.000 0.000 0.182 237 N C 1.373 176.868 175.510 -0.025 0.000 1.018 237 N CA 1.419 54.461 53.050 -0.013 0.000 0.876 237 N CB 0.092 38.572 38.487 -0.012 0.000 0.972 237 N HN 0.528 nan 8.380 nan 0.000 0.434 238 L N -0.001 121.204 121.223 -0.030 0.000 2.592 238 L HA 0.160 4.500 4.340 0.000 0.000 0.227 238 L C 2.208 179.038 176.870 -0.067 0.000 1.127 238 L CA 0.764 55.561 54.840 -0.071 0.000 0.884 238 L CB -1.313 40.689 42.059 -0.096 0.000 1.065 238 L HN 0.419 nan 8.230 nan 0.000 0.457 239 Q N 0.618 120.403 119.800 -0.025 0.000 2.297 239 Q HA 0.069 4.409 4.340 0.000 0.000 0.203 239 Q C 1.180 177.173 176.000 -0.012 0.000 0.931 239 Q CA 1.270 57.068 55.803 -0.008 0.000 0.885 239 Q CB 0.131 28.874 28.738 0.008 0.000 0.991 239 Q HN 0.525 nan 8.270 nan 0.000 0.498 240 T N -4.381 110.163 114.554 -0.016 0.000 2.894 240 T HA 0.819 5.169 4.350 0.000 0.000 0.309 240 T C -0.702 173.983 174.700 -0.025 0.000 1.208 240 T CA -0.228 61.863 62.100 -0.015 0.000 1.016 240 T CB 1.597 70.459 68.868 -0.010 0.000 1.192 240 T HN 0.926 nan 8.240 nan 0.000 0.491 241 A N 1.018 123.819 122.820 -0.031 0.000 2.437 241 A HA 0.829 5.149 4.320 0.000 0.000 0.292 241 A C -0.801 176.731 177.584 -0.088 0.000 1.173 241 A CA -1.005 51.004 52.037 -0.046 0.000 0.785 241 A CB 1.261 20.242 19.000 -0.032 0.000 1.351 241 A HN 0.882 nan 8.150 nan 0.000 0.431 242 E N 0.449 120.569 120.200 -0.134 0.000 2.134 242 E HA 0.469 4.819 4.350 0.000 0.000 0.278 242 E C -1.358 175.014 176.600 -0.380 0.000 0.959 242 E CA -0.044 56.179 56.400 -0.294 0.000 0.783 242 E CB 1.517 30.998 29.700 -0.365 0.000 1.095 242 E HN 0.446 nan 8.360 nan 0.000 0.399 243 I N 4.161 124.497 120.570 -0.391 0.000 2.382 243 I HA 0.214 4.384 4.170 0.000 0.000 0.285 243 I C -0.854 175.055 176.117 -0.347 0.000 1.007 243 I CA -0.745 60.389 61.300 -0.277 0.000 1.142 243 I CB 0.627 38.568 38.000 -0.099 0.000 1.289 243 I HN 0.440 nan 8.210 nan 0.000 0.453 244 Y N 4.527 124.780 120.300 -0.079 0.000 2.304 244 Y HA 0.527 5.077 4.550 -0.000 0.000 0.327 244 Y C 0.766 176.747 175.900 0.136 0.000 1.209 244 Y CA -0.485 57.545 58.100 -0.116 0.000 1.299 244 Y CB 0.917 39.236 38.460 -0.235 0.000 1.249 244 Y HN 0.543 nan 8.280 nan 0.000 0.519 245 A N 1.898 125.078 122.820 0.600 0.000 2.306 245 A HA 0.773 5.093 4.320 0.000 0.000 0.314 245 A C -0.396 177.382 177.584 0.324 0.000 1.164 245 A CA -0.182 52.085 52.037 0.383 0.000 0.822 245 A CB 0.409 19.599 19.000 0.317 0.000 1.130 245 A HN 0.792 nan 8.150 nan 0.000 0.496 246 S N 1.110 116.963 115.700 0.256 0.000 2.570 246 S HA 0.859 5.329 4.470 0.000 0.000 0.270 246 S C -0.941 173.832 174.600 0.288 0.000 1.149 246 S CA -0.576 57.761 58.200 0.228 0.000 0.837 246 S CB 1.523 64.903 63.200 0.299 0.000 1.124 246 S HN 1.596 nan 8.310 nan 0.000 0.465 247 H N -0.645 118.530 119.070 0.176 0.000 3.037 247 H HA 0.443 4.999 4.556 -0.000 0.000 0.336 247 H C -1.370 173.324 175.328 -1.057 0.000 1.323 247 H CA -0.613 55.330 56.048 -0.174 0.000 1.159 247 H CB 1.145 30.827 29.762 -0.133 0.000 1.882 247 H HN 0.849 nan 8.280 nan 0.000 0.535 248 E N 1.357 120.581 120.200 -1.626 0.000 2.415 248 E HA 0.264 4.614 4.350 0.000 0.000 0.260 248 E C -0.307 175.961 176.600 -0.554 0.000 1.016 248 E CA -0.178 55.215 56.400 -1.679 0.000 0.924 248 E CB 0.364 29.377 29.700 -1.145 0.000 0.961 248 E HN 0.586 nan 8.360 nan 0.000 0.459 249 A N 5.934 128.466 122.820 -0.480 0.000 2.797 249 A HA 0.085 4.405 4.320 0.000 0.000 0.296 249 A C 0.328 177.765 177.584 -0.245 0.000 1.580 249 A CA -0.294 51.636 52.037 -0.179 0.000 1.277 249 A CB -0.079 18.848 19.000 -0.122 0.000 1.101 249 A HN 0.699 nan 8.150 nan 0.000 0.562 250 L N 3.937 125.048 121.223 -0.187 0.000 2.379 250 L HA 0.272 4.612 4.340 0.000 0.000 0.190 250 L C 0.751 177.621 176.870 -0.001 0.000 1.111 250 L CA 1.306 56.029 54.840 -0.194 0.000 0.820 250 L CB -0.064 41.866 42.059 -0.215 0.000 1.046 250 L HN 0.264 nan 8.230 nan 0.000 0.485 251 V N 2.954 122.853 119.914 -0.025 0.000 2.403 251 V HA -0.000 4.120 4.120 0.000 0.000 0.265 251 V C 1.567 177.705 176.094 0.073 0.000 1.034 251 V CA 0.299 62.613 62.300 0.022 0.000 1.036 251 V CB 0.367 32.208 31.823 0.029 0.000 1.032 251 V HN 0.389 nan 8.190 nan 0.000 0.478 252 L N 2.448 123.685 121.223 0.022 0.000 2.156 252 L HA -0.041 4.299 4.340 0.000 0.000 0.208 252 L C 2.008 178.871 176.870 -0.012 0.000 1.095 252 L CA 0.869 55.648 54.840 -0.103 0.000 0.770 252 L CB -0.215 41.730 42.059 -0.189 0.000 0.914 252 L HN 0.594 nan 8.230 nan 0.000 0.439 253 D N -0.609 119.861 120.400 0.117 0.000 2.182 253 D HA -0.258 4.382 4.640 0.000 0.000 0.201 253 D C 1.803 178.209 176.300 0.175 0.000 0.986 253 D CA 1.380 55.482 54.000 0.171 0.000 0.847 253 D CB -0.036 40.944 40.800 0.301 0.000 0.942 253 D HN 0.382 nan 8.370 nan 0.000 0.467 254 Y N 1.542 121.888 120.300 0.077 0.000 2.243 254 Y HA -0.085 4.465 4.550 0.000 0.000 0.293 254 Y C 2.001 177.939 175.900 0.064 0.000 1.124 254 Y CA 1.115 59.257 58.100 0.071 0.000 1.159 254 Y CB 0.216 38.730 38.460 0.091 0.000 1.008 254 Y HN -0.203 nan 8.280 nan 0.000 0.527 255 E N 0.955 121.209 120.200 0.090 0.000 2.204 255 E HA -0.172 4.178 4.350 0.000 0.000 0.194 255 E C 2.088 178.769 176.600 0.135 0.000 0.989 255 E CA 1.389 57.796 56.400 0.012 0.000 0.824 255 E CB -0.248 29.333 29.700 -0.199 0.000 0.756 255 E HN 0.723 nan 8.360 nan 0.000 0.477 256 R N 0.394 120.961 120.500 0.111 0.000 2.161 256 R HA 0.245 4.585 4.340 0.000 0.000 0.213 256 R C 2.168 178.528 176.300 0.100 0.000 1.055 256 R CA 0.923 57.169 56.100 0.243 0.000 0.996 256 R CB -0.310 30.124 30.300 0.223 0.000 0.901 256 R HN 0.013 nan 8.270 nan 0.000 0.456 257 A N 1.379 124.205 122.820 0.010 0.000 2.015 257 A HA 0.046 4.366 4.320 0.000 0.000 0.219 257 A C 1.876 179.409 177.584 -0.085 0.000 1.163 257 A CA 0.862 52.869 52.037 -0.050 0.000 0.646 257 A CB -0.144 18.801 19.000 -0.091 0.000 0.806 257 A HN 0.190 nan 8.150 nan 0.000 0.448 258 M N -0.202 119.337 119.600 -0.102 0.000 2.431 258 M HA 0.322 4.802 4.480 0.000 0.000 0.237 258 M C -0.133 176.175 176.300 0.013 0.000 1.130 258 M CA 0.084 55.322 55.300 -0.104 0.000 1.002 258 M CB -0.768 31.704 32.600 -0.213 0.000 1.524 258 M HN 0.209 nan 8.290 nan 0.000 0.482 259 L N 1.806 123.063 121.223 0.057 0.000 2.360 259 L HA 0.194 4.534 4.340 0.000 0.000 0.276 259 L C 0.464 177.362 176.870 0.047 0.000 1.121 259 L CA 0.079 54.964 54.840 0.076 0.000 0.845 259 L CB 0.330 42.433 42.059 0.075 0.000 1.143 259 L HN 0.109 nan 8.230 nan 0.000 0.452 260 R N 2.958 123.500 120.500 0.070 0.000 2.867 260 R HA 0.584 4.924 4.340 0.000 0.000 0.268 260 R C -1.375 174.981 176.300 0.093 0.000 1.014 260 R CA -1.153 54.981 56.100 0.056 0.000 0.946 260 R CB 2.108 32.429 30.300 0.035 0.000 1.208 260 R HN 0.277 nan 8.270 nan 0.000 0.477 261 L N 1.242 122.506 121.223 0.069 0.000 2.296 261 L HA 0.311 4.651 4.340 0.000 0.000 0.286 261 L C 0.211 177.131 176.870 0.083 0.000 1.023 261 L CA -0.068 54.826 54.840 0.090 0.000 0.812 261 L CB 1.477 43.566 42.059 0.051 0.000 1.223 261 L HN 0.804 nan 8.230 nan 0.000 0.421 262 S N 2.018 117.804 115.700 0.142 0.000 2.566 262 S HA 0.010 4.480 4.470 0.000 0.000 0.280 262 S C 0.882 175.507 174.600 0.040 0.000 1.343 262 S CA 0.301 58.539 58.200 0.063 0.000 1.036 262 S CB 0.475 63.757 63.200 0.136 0.000 0.866 262 S HN 0.770 nan 8.310 nan 0.000 0.526 263 D N 0.854 121.259 120.400 0.009 0.000 2.277 263 D HA 0.087 4.727 4.640 0.000 0.000 0.208 263 D C 1.415 177.725 176.300 0.017 0.000 0.962 263 D CA 0.874 54.880 54.000 0.009 0.000 0.865 263 D CB -1.110 39.688 40.800 -0.003 0.000 0.939 263 D HN 1.366 nan 8.370 nan 0.000 0.510 264 G N 0.653 109.468 108.800 0.025 0.000 2.160 264 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 264 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 264 G C 0.285 175.196 174.900 0.018 0.000 1.022 264 G CA 0.376 45.493 45.100 0.029 0.000 0.741 264 G HN 0.375 nan 8.290 nan 0.000 0.508 265 D N 0.533 120.940 120.400 0.013 0.000 2.348 265 D HA 0.381 5.021 4.640 0.000 0.000 0.216 265 D C 1.459 177.766 176.300 0.012 0.000 0.970 265 D CA 1.634 55.639 54.000 0.009 0.000 0.889 265 D CB 0.139 40.942 40.800 0.005 0.000 0.912 265 D HN 0.872 nan 8.370 nan 0.000 0.524 266 D N -1.190 119.222 120.400 0.019 0.000 2.457 266 D HA 0.562 5.202 4.640 0.000 0.000 0.240 266 D C 1.046 177.366 176.300 0.034 0.000 1.041 266 D CA -0.424 53.591 54.000 0.024 0.000 0.861 266 D CB 0.898 41.715 40.800 0.028 0.000 1.394 266 D HN 0.077 nan 8.370 nan 0.000 0.473 267 G N 0.287 109.103 108.800 0.026 0.000 2.622 267 G HA2 -0.215 3.745 3.960 0.000 0.000 0.307 267 G HA3 -0.215 3.745 3.960 0.000 0.000 0.307 267 G C 0.417 175.327 174.900 0.017 0.000 1.226 267 G CA 1.026 46.139 45.100 0.022 0.000 0.997 267 G HN 0.957 nan 8.290 nan 0.000 0.551 268 E N 0.844 121.056 120.200 0.020 0.000 2.493 268 E HA 0.540 4.890 4.350 0.000 0.000 0.243 268 E C -2.638 173.985 176.600 0.038 0.000 0.875 268 E CA -1.521 54.890 56.400 0.018 0.000 0.872 268 E CB 1.729 31.430 29.700 0.001 0.000 1.476 268 E HN 0.346 nan 8.360 nan 0.000 0.394 269 P HA 0.199 nan 4.420 nan 0.000 0.292 269 P C -1.597 175.726 177.300 0.038 0.000 1.287 269 P CA -0.217 62.910 63.100 0.045 0.000 0.800 269 P CB 0.772 32.489 31.700 0.030 0.000 0.945 270 Q N 1.229 121.069 119.800 0.068 0.000 2.416 270 Q HA 0.523 4.863 4.340 0.000 0.000 0.281 270 Q C -0.827 175.190 176.000 0.028 0.000 1.067 270 Q CA -0.933 54.873 55.803 0.005 0.000 0.809 270 Q CB 1.820 30.520 28.738 -0.063 0.000 1.418 270 Q HN 0.280 nan 8.270 nan 0.000 0.411 271 L N 1.806 122.989 121.223 -0.066 0.000 2.380 271 L HA 0.401 4.741 4.340 0.000 0.000 0.273 271 L C -0.931 175.868 176.870 -0.118 0.000 1.138 271 L CA 0.126 54.940 54.840 -0.044 0.000 0.832 271 L CB 0.222 42.214 42.059 -0.112 0.000 1.124 271 L HN 0.527 nan 8.230 nan 0.000 0.454 272 F N 0.747 120.675 119.950 -0.036 0.000 2.546 272 F HA 0.224 4.751 4.527 0.000 0.000 0.320 272 F C 0.177 175.972 175.800 -0.008 0.000 1.076 272 F CA -0.831 57.157 58.000 -0.020 0.000 0.928 272 F CB 1.678 40.680 39.000 0.002 0.000 1.189 272 F HN 0.332 nan 8.300 nan 0.000 0.465 273 D N 3.342 123.865 120.400 0.206 0.000 2.441 273 D HA 0.228 4.868 4.640 0.000 0.000 0.221 273 D C 0.145 176.545 176.300 0.167 0.000 1.156 273 D CA 0.094 54.205 54.000 0.186 0.000 0.896 273 D CB 0.485 41.427 40.800 0.237 0.000 1.028 273 D HN 0.484 nan 8.370 nan 0.000 0.509 274 L N 2.899 124.192 121.223 0.117 0.000 2.715 274 L HA 0.052 4.392 4.340 0.000 0.000 0.238 274 L C 1.785 178.694 176.870 0.065 0.000 1.212 274 L CA -0.045 54.834 54.840 0.065 0.000 1.017 274 L CB -0.377 41.701 42.059 0.032 0.000 1.269 274 L HN 0.334 nan 8.230 nan 0.000 0.452 275 S N -1.082 114.679 115.700 0.102 0.000 2.562 275 S HA 0.383 4.853 4.470 0.000 0.000 0.221 275 S C 0.704 175.453 174.600 0.249 0.000 0.975 275 S CA 0.218 58.528 58.200 0.183 0.000 0.918 275 S CB 0.322 63.651 63.200 0.214 0.000 0.772 275 S HN 0.375 nan 8.310 nan 0.000 0.531 276 A N -0.370 122.515 122.820 0.108 0.000 2.438 276 A HA 0.646 4.966 4.320 0.000 0.000 0.301 276 A C -0.292 177.267 177.584 -0.041 0.000 1.101 276 A CA -0.475 51.584 52.037 0.038 0.000 0.621 276 A CB -0.325 18.686 19.000 0.018 0.000 1.350 276 A HN 0.256 nan 8.150 nan 0.000 0.496 277 H N -0.684 118.465 119.070 0.132 0.000 2.316 277 H HA 0.329 4.885 4.556 -0.000 0.000 0.314 277 H C 1.022 176.398 175.328 0.080 0.000 1.057 277 H CA 1.669 57.794 56.048 0.129 0.000 1.402 277 H CB 0.298 30.170 29.762 0.184 0.000 1.443 277 H HN 0.652 nan 8.280 nan 0.000 0.559 278 T N 0.989 115.660 114.554 0.195 0.000 2.918 278 T HA 0.547 4.897 4.350 0.000 0.000 0.286 278 T C -0.944 173.807 174.700 0.085 0.000 1.026 278 T CA -0.551 61.617 62.100 0.115 0.000 1.031 278 T CB 0.897 69.814 68.868 0.082 0.000 1.046 278 T HN 0.183 nan 8.240 nan 0.000 0.479 279 V N 1.948 121.907 119.914 0.075 0.000 3.078 279 V HA 0.985 5.105 4.120 0.000 0.000 0.311 279 V C -1.140 175.063 176.094 0.181 0.000 1.138 279 V CA -1.343 60.967 62.300 0.016 0.000 1.007 279 V CB 1.373 33.106 31.823 -0.150 0.000 1.045 279 V HN 1.127 nan 8.190 nan 0.000 0.432 280 W N 1.691 122.968 121.300 -0.038 0.000 2.850 280 W HA 0.942 5.602 4.660 -0.000 0.000 0.349 280 W C -1.564 174.912 176.519 -0.071 0.000 1.133 280 W CA -1.443 55.874 57.345 -0.046 0.000 1.117 280 W CB 1.281 30.722 29.460 -0.032 0.000 1.442 280 W HN 0.622 nan 8.180 nan 0.000 0.575 281 I N 2.769 123.373 120.570 0.057 0.000 2.406 281 I HA 0.515 4.685 4.170 0.000 0.000 0.290 281 I C 0.841 176.946 176.117 -0.021 0.000 0.999 281 I CA -1.022 60.210 61.300 -0.114 0.000 1.124 281 I CB 1.454 39.411 38.000 -0.071 0.000 1.289 281 I HN 0.790 nan 8.210 nan 0.000 0.441 282 G N 2.920 111.644 108.800 -0.126 0.000 2.599 282 G HA2 0.095 4.054 3.960 0.000 0.000 0.264 282 G HA3 0.095 4.054 3.960 0.000 0.000 0.264 282 G C 0.650 175.513 174.900 -0.061 0.000 1.200 282 G CA -0.124 44.947 45.100 -0.047 0.000 0.896 282 G HN 0.758 nan 8.290 nan 0.000 0.536 283 E N -0.104 120.059 120.200 -0.063 0.000 2.097 283 E HA -0.154 4.196 4.350 0.000 0.000 0.196 283 E C 2.327 178.913 176.600 -0.023 0.000 1.000 283 E CA 1.357 57.729 56.400 -0.046 0.000 0.804 283 E CB 0.007 29.671 29.700 -0.060 0.000 0.740 283 E HN 0.527 nan 8.360 nan 0.000 0.454 284 R N -1.053 119.425 120.500 -0.036 0.000 2.310 284 R HA 0.100 4.440 4.340 0.000 0.000 0.202 284 R C 0.676 176.972 176.300 -0.006 0.000 0.933 284 R CA 1.173 57.264 56.100 -0.016 0.000 1.054 284 R CB 0.373 30.660 30.300 -0.021 0.000 0.985 284 R HN 0.209 nan 8.270 nan 0.000 0.489 285 T N -2.730 111.805 114.554 -0.030 0.000 3.337 285 T HA 0.125 4.475 4.350 0.000 0.000 0.299 285 T C 0.840 175.576 174.700 0.059 0.000 0.998 285 T CA -0.680 61.425 62.100 0.008 0.000 0.948 285 T CB 0.157 68.891 68.868 -0.223 0.000 1.170 285 T HN 0.225 nan 8.240 nan 0.000 0.508 286 R N 0.357 120.891 120.500 0.056 0.000 2.388 286 R HA 0.313 4.653 4.340 0.000 0.000 0.247 286 R C -0.419 176.005 176.300 0.207 0.000 0.931 286 R CA -0.600 55.561 56.100 0.102 0.000 1.082 286 R CB -0.394 29.917 30.300 0.019 0.000 1.135 286 R HN 0.187 nan 8.270 nan 0.000 0.525 287 Q N 1.369 121.261 119.800 0.152 0.000 2.687 287 Q HA -0.128 4.212 4.340 0.000 0.000 0.341 287 Q C 0.912 176.994 176.000 0.137 0.000 1.074 287 Q CA 0.134 56.012 55.803 0.124 0.000 1.115 287 Q CB 0.332 29.123 28.738 0.088 0.000 0.996 287 Q HN 0.326 nan 8.270 nan 0.000 0.397 288 I N 2.166 122.797 120.570 0.102 0.000 2.248 288 I HA -0.267 3.903 4.170 0.000 0.000 0.248 288 I C 0.603 176.744 176.117 0.040 0.000 1.107 288 I CA 1.775 63.105 61.300 0.050 0.000 1.373 288 I CB 0.194 38.137 38.000 -0.096 0.000 1.055 288 I HN 0.619 nan 8.210 nan 0.000 0.418 289 D N 0.478 120.896 120.400 0.029 0.000 2.463 289 D HA 0.247 4.887 4.640 0.000 0.000 0.224 289 D C 0.685 177.002 176.300 0.029 0.000 1.174 289 D CA 0.284 54.296 54.000 0.021 0.000 0.829 289 D CB 0.030 40.833 40.800 0.004 0.000 0.993 289 D HN 0.364 nan 8.370 nan 0.000 0.497 290 G N -0.113 108.717 108.800 0.050 0.000 2.547 290 G HA2 0.387 4.347 3.960 0.000 0.000 0.291 290 G HA3 0.387 4.347 3.960 0.000 0.000 0.291 290 G C 1.068 175.984 174.900 0.026 0.000 1.211 290 G CA -0.044 45.079 45.100 0.038 0.000 0.950 290 G HN 0.060 nan 8.290 nan 0.000 0.504 291 A N -1.129 121.664 122.820 -0.046 0.000 2.067 291 A HA 0.021 4.341 4.320 0.000 0.000 0.219 291 A C 1.846 179.413 177.584 -0.027 0.000 1.158 291 A CA 1.643 53.636 52.037 -0.073 0.000 0.661 291 A CB -0.538 18.357 19.000 -0.174 0.000 0.801 291 A HN 0.786 nan 8.150 nan 0.000 0.452 292 H N -0.974 118.135 119.070 0.064 0.000 2.415 292 H HA 0.105 4.661 4.556 -0.000 0.000 0.297 292 H C 1.760 177.159 175.328 0.119 0.000 1.048 292 H CA 1.087 57.175 56.048 0.066 0.000 1.365 292 H CB 0.155 29.921 29.762 0.007 0.000 1.421 292 H HN 0.339 nan 8.280 nan 0.000 0.533 293 I N 0.575 121.279 120.570 0.223 0.000 2.546 293 I HA -0.100 4.070 4.170 0.000 0.000 0.255 293 I C 2.448 178.646 176.117 0.136 0.000 1.163 293 I CA 0.831 62.234 61.300 0.172 0.000 1.457 293 I CB -0.972 37.138 38.000 0.182 0.000 1.092 293 I HN 0.263 nan 8.210 nan 0.000 0.434 294 A N 0.637 123.533 122.820 0.127 0.000 1.930 294 A HA -0.223 4.097 4.320 0.000 0.000 0.217 294 A C 2.237 179.879 177.584 0.097 0.000 1.175 294 A CA 1.043 53.130 52.037 0.084 0.000 0.627 294 A CB -0.860 18.180 19.000 0.067 0.000 0.815 294 A HN 0.336 nan 8.150 nan 0.000 0.443 295 F N 0.917 120.878 119.950 0.017 0.000 2.102 295 F HA -0.068 4.459 4.527 0.000 0.000 0.298 295 F C 2.571 178.379 175.800 0.013 0.000 1.105 295 F CA 1.244 59.255 58.000 0.020 0.000 1.239 295 F CB -0.377 38.651 39.000 0.046 0.000 0.991 295 F HN 0.245 nan 8.300 nan 0.000 0.474 296 A N -0.306 122.623 122.820 0.181 0.000 1.978 296 A HA -0.244 4.076 4.320 0.000 0.000 0.220 296 A C 2.138 179.694 177.584 -0.046 0.000 1.170 296 A CA 1.830 53.908 52.037 0.069 0.000 0.636 296 A CB -0.814 18.241 19.000 0.092 0.000 0.810 296 A HN 0.597 nan 8.150 nan 0.000 0.448 297 Q N -0.650 119.123 119.800 -0.044 0.000 2.084 297 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 297 Q C 2.166 178.084 176.000 -0.136 0.000 0.978 297 Q CA 1.757 57.512 55.803 -0.081 0.000 0.844 297 Q CB -0.275 28.428 28.738 -0.058 0.000 0.898 297 Q HN 0.535 nan 8.270 nan 0.000 0.426 298 V N 1.783 121.582 119.914 -0.192 0.000 2.453 298 V HA -0.115 4.005 4.120 0.000 0.000 0.247 298 V C 1.600 177.524 176.094 -0.283 0.000 1.048 298 V CA 0.929 63.090 62.300 -0.231 0.000 1.049 298 V CB -0.596 31.062 31.823 -0.275 0.000 0.672 298 V HN 0.375 nan 8.190 nan 0.000 0.457 299 I N -1.152 119.197 120.570 -0.369 0.000 2.823 299 I HA 0.493 4.663 4.170 0.000 0.000 0.290 299 I C 1.213 177.156 176.117 -0.291 0.000 1.091 299 I CA 0.108 61.205 61.300 -0.338 0.000 1.365 299 I CB 1.245 39.056 38.000 -0.315 0.000 1.427 299 I HN 0.003 nan 8.210 nan 0.000 0.583 300 A N 3.698 126.259 122.820 -0.432 0.000 2.095 300 A HA 0.143 4.463 4.320 0.000 0.000 0.212 300 A C 0.802 178.186 177.584 -0.334 0.000 1.162 300 A CA 0.003 51.734 52.037 -0.511 0.000 0.753 300 A CB -0.844 17.509 19.000 -1.078 0.000 0.840 300 A HN 0.875 nan 8.150 nan 0.000 0.468 301 N N 1.365 119.938 118.700 -0.212 0.000 2.345 301 N HA 0.208 4.948 4.740 0.000 0.000 0.243 301 N C -2.836 172.664 175.510 -0.016 0.000 1.246 301 N CA -0.531 52.515 53.050 -0.007 0.000 0.863 301 N CB -0.288 38.246 38.487 0.078 0.000 1.096 301 N HN 0.090 nan 8.380 nan 0.000 0.446 302 P HA 0.021 nan 4.420 nan 0.000 0.263 302 P C -0.602 176.703 177.300 0.008 0.000 1.195 302 P CA 0.247 63.341 63.100 -0.010 0.000 0.762 302 P CB 0.570 32.254 31.700 -0.027 0.000 0.799 303 V N 3.686 123.598 119.914 -0.003 0.000 2.815 303 V HA 0.845 4.965 4.120 0.000 0.000 0.314 303 V C 0.598 176.699 176.094 0.011 0.000 1.064 303 V CA -0.288 62.026 62.300 0.023 0.000 0.952 303 V CB 2.316 34.147 31.823 0.012 0.000 1.020 303 V HN 0.702 nan 8.190 nan 0.000 0.439 304 G N 1.552 110.391 108.800 0.066 0.000 2.605 304 G HA2 0.701 4.661 3.960 0.000 0.000 0.296 304 G HA3 0.701 4.661 3.960 0.000 0.000 0.296 304 G C -1.902 173.022 174.900 0.040 0.000 1.304 304 G CA -0.542 44.576 45.100 0.030 0.000 0.941 304 G HN 0.586 nan 8.290 nan 0.000 0.475 305 V N 1.219 121.090 119.914 -0.071 0.000 2.760 305 V HA 0.434 4.554 4.120 0.000 0.000 0.309 305 V C -0.765 175.250 176.094 -0.131 0.000 1.077 305 V CA -1.245 60.976 62.300 -0.132 0.000 0.910 305 V CB 2.130 33.725 31.823 -0.381 0.000 1.008 305 V HN 0.599 nan 8.190 nan 0.000 0.424 306 K N 4.413 124.762 120.400 -0.085 0.000 2.298 306 K HA 0.554 4.874 4.320 0.000 0.000 0.280 306 K C -0.854 175.695 176.600 -0.085 0.000 1.032 306 K CA -0.027 56.200 56.287 -0.101 0.000 0.958 306 K CB 0.971 33.415 32.500 -0.093 0.000 0.978 306 K HN 0.502 nan 8.250 nan 0.000 0.472 307 L N 1.961 123.160 121.223 -0.039 0.000 2.349 307 L HA 0.476 4.816 4.340 0.000 0.000 0.278 307 L C 0.783 177.671 176.870 0.031 0.000 0.996 307 L CA -0.811 54.040 54.840 0.019 0.000 0.825 307 L CB 1.992 44.097 42.059 0.077 0.000 1.243 307 L HN 0.656 nan 8.230 nan 0.000 0.412 308 G N 2.099 110.920 108.800 0.034 0.000 2.795 308 G HA2 0.497 4.457 3.960 0.000 0.000 0.267 308 G HA3 0.497 4.457 3.960 0.000 0.000 0.267 308 G C -2.233 172.688 174.900 0.035 0.000 1.362 308 G CA -1.081 44.036 45.100 0.028 0.000 1.048 308 G HN 0.369 nan 8.290 nan 0.000 0.547 309 P HA -0.032 nan 4.420 nan 0.000 0.220 309 P C 1.132 178.449 177.300 0.027 0.000 1.148 309 P CA 0.731 63.842 63.100 0.018 0.000 0.803 309 P CB 0.245 31.952 31.700 0.012 0.000 0.782 310 N N -1.198 117.523 118.700 0.035 0.000 2.461 310 N HA 0.035 4.775 4.740 0.000 0.000 0.188 310 N C 0.582 176.119 175.510 0.046 0.000 1.134 310 N CA 0.154 53.227 53.050 0.037 0.000 0.878 310 N CB -0.581 37.928 38.487 0.038 0.000 0.972 310 N HN 0.195 nan 8.380 nan 0.000 0.456 311 M N 1.462 121.097 119.600 0.057 0.000 2.228 311 M HA 0.060 4.540 4.480 0.000 0.000 0.351 311 M C -0.044 176.292 176.300 0.059 0.000 1.233 311 M CA -0.203 55.144 55.300 0.079 0.000 1.129 311 M CB 0.450 33.112 32.600 0.103 0.000 1.604 311 M HN 0.103 nan 8.290 nan 0.000 0.457 312 T N 3.790 118.376 114.554 0.054 0.000 2.779 312 T HA 0.544 4.894 4.350 0.000 0.000 0.280 312 T C -2.195 172.528 174.700 0.039 0.000 0.987 312 T CA -1.834 60.286 62.100 0.034 0.000 0.966 312 T CB 1.100 69.978 68.868 0.015 0.000 0.933 312 T HN 0.532 nan 8.240 nan 0.000 0.442 313 P HA -0.167 nan 4.420 nan 0.000 0.218 313 P C 1.139 178.461 177.300 0.036 0.000 1.150 313 P CA 1.135 64.266 63.100 0.051 0.000 0.841 313 P CB 0.168 31.888 31.700 0.034 0.000 0.784 314 E N -1.077 119.129 120.200 0.011 0.000 2.077 314 E HA -0.151 4.199 4.350 0.000 0.000 0.193 314 E C 1.827 178.400 176.600 -0.045 0.000 0.989 314 E CA 0.760 57.154 56.400 -0.011 0.000 0.800 314 E CB -1.139 28.550 29.700 -0.017 0.000 0.746 314 E HN 0.151 nan 8.360 nan 0.000 0.452 315 L N 0.508 121.696 121.223 -0.058 0.000 2.027 315 L HA -0.004 4.336 4.340 0.000 0.000 0.206 315 L C 2.074 178.837 176.870 -0.178 0.000 1.074 315 L CA 2.026 56.768 54.840 -0.163 0.000 0.745 315 L CB -1.023 40.959 42.059 -0.128 0.000 0.898 315 L HN 0.108 nan 8.230 nan 0.000 0.433 316 A N -0.876 121.974 122.820 0.050 0.000 1.958 316 A HA -0.237 4.083 4.320 0.000 0.000 0.221 316 A C 2.299 179.961 177.584 0.130 0.000 1.178 316 A CA 2.364 54.532 52.037 0.218 0.000 0.642 316 A CB -1.303 17.826 19.000 0.215 0.000 0.816 316 A HN 0.357 nan 8.150 nan 0.000 0.453 317 V N -0.549 119.390 119.914 0.042 0.000 2.427 317 V HA -0.246 3.874 4.120 0.000 0.000 0.248 317 V C 2.429 178.490 176.094 -0.054 0.000 1.051 317 V CA 2.270 64.575 62.300 0.009 0.000 1.048 317 V CB -0.645 31.182 31.823 0.007 0.000 0.666 317 V HN 0.726 nan 8.190 nan 0.000 0.456 318 E N -0.991 119.129 120.200 -0.133 0.000 2.153 318 E HA -0.215 4.135 4.350 0.000 0.000 0.194 318 E C 2.128 178.623 176.600 -0.175 0.000 0.988 318 E CA 1.292 57.577 56.400 -0.192 0.000 0.811 318 E CB -0.104 29.427 29.700 -0.281 0.000 0.746 318 E HN 0.719 nan 8.360 nan 0.000 0.466 319 Y N -0.445 119.825 120.300 -0.050 0.000 2.145 319 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 319 Y C 2.270 178.099 175.900 -0.119 0.000 1.145 319 Y CA 0.709 58.769 58.100 -0.066 0.000 1.148 319 Y CB -0.770 37.660 38.460 -0.050 0.000 0.981 319 Y HN -0.061 nan 8.280 nan 0.000 0.507 320 V N 0.029 119.950 119.914 0.012 0.000 2.688 320 V HA -0.278 3.842 4.120 0.000 0.000 0.256 320 V C 1.717 177.619 176.094 -0.321 0.000 1.084 320 V CA 2.134 64.331 62.300 -0.172 0.000 1.103 320 V CB -0.482 31.229 31.823 -0.186 0.000 0.688 320 V HN 0.444 nan 8.190 nan 0.000 0.480 321 E N -1.318 118.765 120.200 -0.195 0.000 2.290 321 E HA 0.027 4.377 4.350 0.000 0.000 0.197 321 E C 2.446 178.973 176.600 -0.122 0.000 0.948 321 E CA -0.114 56.177 56.400 -0.182 0.000 0.895 321 E CB 0.065 29.700 29.700 -0.108 0.000 0.865 321 E HN 0.353 nan 8.360 nan 0.000 0.486 322 R N 0.594 121.046 120.500 -0.080 0.000 2.057 322 R HA -0.004 4.336 4.340 0.000 0.000 0.229 322 R C 2.313 178.570 176.300 -0.071 0.000 1.136 322 R CA 0.984 57.051 56.100 -0.055 0.000 0.952 322 R CB -0.603 29.696 30.300 -0.001 0.000 0.848 322 R HN 0.223 nan 8.270 nan 0.000 0.430 323 L N 0.143 121.334 121.223 -0.053 0.000 2.127 323 L HA -0.028 4.312 4.340 0.000 0.000 0.203 323 L C 0.757 177.568 176.870 -0.098 0.000 1.080 323 L CA 0.884 55.689 54.840 -0.058 0.000 0.768 323 L CB -0.161 41.883 42.059 -0.026 0.000 0.924 323 L HN 0.063 nan 8.230 nan 0.000 0.444 324 D N -0.216 120.108 120.400 -0.127 0.000 3.018 324 D HA 0.111 4.751 4.640 0.000 0.000 0.331 324 D C -1.554 174.714 176.300 -0.054 0.000 1.334 324 D CA -2.068 51.885 54.000 -0.079 0.000 0.900 324 D CB 0.538 41.325 40.800 -0.021 0.000 1.059 324 D HN 0.010 nan 8.370 nan 0.000 0.498 325 P HA -0.131 nan 4.420 nan 0.000 0.220 325 P C 0.687 178.003 177.300 0.027 0.000 1.148 325 P CA 1.069 64.106 63.100 -0.105 0.000 0.803 325 P CB 0.035 31.572 31.700 -0.272 0.000 0.782 326 H N -1.484 117.643 119.070 0.096 0.000 2.539 326 H HA 0.108 4.664 4.556 0.000 0.000 0.267 326 H C 0.317 175.679 175.328 0.057 0.000 0.982 326 H CA -0.401 55.682 56.048 0.059 0.000 1.146 326 H CB -0.409 29.364 29.762 0.019 0.000 1.382 326 H HN -0.004 nan 8.280 nan 0.000 0.577 327 N N 2.152 120.995 118.700 0.237 0.000 2.629 327 N HA -0.178 4.562 4.740 0.000 0.000 0.278 327 N C -1.324 174.231 175.510 0.076 0.000 1.102 327 N CA 0.346 53.455 53.050 0.098 0.000 0.759 327 N CB -0.507 37.819 38.487 -0.269 0.000 0.911 327 N HN 0.227 nan 8.380 nan 0.000 0.553 328 K N 2.281 122.745 120.400 0.106 0.000 2.347 328 K HA 0.382 4.702 4.320 0.000 0.000 0.262 328 K C -2.324 174.300 176.600 0.041 0.000 1.052 328 K CA -1.739 54.584 56.287 0.059 0.000 0.946 328 K CB 0.974 33.511 32.500 0.062 0.000 1.220 328 K HN 0.236 nan 8.250 nan 0.000 0.450 329 P HA -0.119 nan 4.420 nan 0.000 0.263 329 P C 0.950 178.249 177.300 -0.001 0.000 1.168 329 P CA 1.090 64.199 63.100 0.015 0.000 0.759 329 P CB 0.421 32.127 31.700 0.010 0.000 0.782 330 G N 2.975 111.764 108.800 -0.019 0.000 2.212 330 G HA2 -0.353 3.607 3.960 0.000 0.000 0.266 330 G HA3 -0.353 3.607 3.960 0.000 0.000 0.266 330 G C 1.479 176.349 174.900 -0.050 0.000 0.978 330 G CA 0.326 45.401 45.100 -0.043 0.000 0.632 330 G HN 0.588 nan 8.290 nan 0.000 0.537 331 R N -0.334 120.148 120.500 -0.030 0.000 2.096 331 R HA 0.066 4.406 4.340 0.000 0.000 0.235 331 R C 0.861 177.130 176.300 -0.052 0.000 1.127 331 R CA 1.612 57.694 56.100 -0.030 0.000 0.968 331 R CB -0.318 29.979 30.300 -0.006 0.000 0.861 331 R HN 0.730 nan 8.270 nan 0.000 0.440 332 L N 0.701 121.879 121.223 -0.074 0.000 2.341 332 L HA 0.370 4.710 4.340 0.000 0.000 0.278 332 L C -1.358 175.410 176.870 -0.171 0.000 1.005 332 L CA -0.127 54.648 54.840 -0.108 0.000 0.818 332 L CB 2.271 44.262 42.059 -0.113 0.000 1.259 332 L HN -0.149 nan 8.230 nan 0.000 0.418 333 T N 6.475 120.927 114.554 -0.171 0.000 2.809 333 T HA 0.491 4.841 4.350 0.000 0.000 0.296 333 T C -0.169 174.387 174.700 -0.239 0.000 1.015 333 T CA -0.257 61.711 62.100 -0.221 0.000 0.954 333 T CB 0.520 69.294 68.868 -0.156 0.000 0.950 333 T HN 0.460 nan 8.240 nan 0.000 0.450 334 L N 4.033 125.038 121.223 -0.364 0.000 2.278 334 L HA 0.408 4.748 4.340 0.000 0.000 0.287 334 L C -0.004 176.807 176.870 -0.100 0.000 1.072 334 L CA -0.736 53.941 54.840 -0.272 0.000 0.819 334 L CB 0.734 42.546 42.059 -0.412 0.000 1.176 334 L HN 0.324 nan 8.230 nan 0.000 0.435 335 V N 2.766 122.636 119.914 -0.073 0.000 2.509 335 V HA 0.206 4.326 4.120 0.000 0.000 0.284 335 V C 0.422 176.534 176.094 0.030 0.000 1.047 335 V CA -0.266 62.008 62.300 -0.044 0.000 0.952 335 V CB 1.722 33.453 31.823 -0.152 0.000 0.988 335 V HN 0.804 nan 8.190 nan 0.000 0.469 336 S N 5.278 121.035 115.700 0.095 0.000 2.433 336 S HA 0.662 5.132 4.470 0.000 0.000 0.310 336 S C -0.249 174.385 174.600 0.057 0.000 1.097 336 S CA -0.953 57.331 58.200 0.140 0.000 1.103 336 S CB 0.384 63.771 63.200 0.313 0.000 0.992 336 S HN 0.773 nan 8.310 nan 0.000 0.469 337 R N 4.617 125.140 120.500 0.038 0.000 2.585 337 R HA 0.419 4.759 4.340 0.000 0.000 0.278 337 R C 0.455 176.775 176.300 0.033 0.000 1.663 337 R CA -0.517 55.603 56.100 0.034 0.000 1.592 337 R CB -0.078 30.240 30.300 0.030 0.000 1.200 337 R HN 0.426 nan 8.270 nan 0.000 0.611 338 M N 0.426 120.042 119.600 0.028 0.000 2.224 338 M HA 0.413 4.893 4.480 0.000 0.000 0.253 338 M C 0.698 176.955 176.300 -0.071 0.000 1.115 338 M CA 1.235 56.527 55.300 -0.015 0.000 1.168 338 M CB -0.720 31.866 32.600 -0.022 0.000 1.288 338 M HN 0.684 nan 8.290 nan 0.000 0.446 339 G N 1.553 110.300 108.800 -0.088 0.000 2.462 339 G HA2 -0.036 3.924 3.960 0.000 0.000 0.424 339 G HA3 -0.036 3.924 3.960 0.000 0.000 0.424 339 G C 0.078 174.861 174.900 -0.195 0.000 1.573 339 G CA -0.131 44.865 45.100 -0.175 0.000 0.913 339 G HN 0.319 nan 8.290 nan 0.000 0.672 340 N N 1.786 120.492 118.700 0.010 0.000 2.096 340 N HA -0.285 4.455 4.740 0.000 0.000 0.195 340 N C 1.764 177.319 175.510 0.075 0.000 1.017 340 N CA 2.764 55.861 53.050 0.079 0.000 0.870 340 N CB -0.908 37.660 38.487 0.135 0.000 1.024 340 N HN 0.962 nan 8.380 nan 0.000 0.434 341 H N -0.413 118.686 119.070 0.049 0.000 2.457 341 H HA 0.138 4.694 4.556 0.000 0.000 0.294 341 H C 0.787 176.136 175.328 0.035 0.000 1.064 341 H CA 1.065 57.137 56.048 0.041 0.000 1.330 341 H CB -0.212 29.576 29.762 0.042 0.000 1.395 341 H HN 0.370 nan 8.280 nan 0.000 0.541 342 K N 0.431 120.670 120.400 -0.268 0.000 2.373 342 K HA 0.159 4.479 4.320 0.000 0.000 0.200 342 K C 1.898 178.443 176.600 -0.091 0.000 1.054 342 K CA 0.296 56.486 56.287 -0.162 0.000 1.065 342 K CB 1.096 33.460 32.500 -0.228 0.000 0.886 342 K HN 0.017 nan 8.250 nan 0.000 0.546 343 V N 1.924 121.796 119.914 -0.070 0.000 2.358 343 V HA -0.210 3.910 4.120 0.000 0.000 0.246 343 V C 1.925 177.999 176.094 -0.034 0.000 1.047 343 V CA 1.689 63.976 62.300 -0.021 0.000 1.035 343 V CB -0.117 31.728 31.823 0.037 0.000 0.658 343 V HN 0.250 nan 8.190 nan 0.000 0.452 344 R N -0.189 120.297 120.500 -0.024 0.000 2.115 344 R HA -0.096 4.244 4.340 0.000 0.000 0.230 344 R C 1.864 178.133 176.300 -0.052 0.000 1.111 344 R CA 1.656 57.734 56.100 -0.037 0.000 0.976 344 R CB -0.345 29.950 30.300 -0.008 0.000 0.870 344 R HN 0.539 nan 8.270 nan 0.000 0.445 345 D N 0.236 120.614 120.400 -0.038 0.000 2.240 345 D HA 0.014 4.654 4.640 0.000 0.000 0.206 345 D C 1.909 178.182 176.300 -0.046 0.000 0.963 345 D CA 0.768 54.747 54.000 -0.036 0.000 0.863 345 D CB 0.242 41.033 40.800 -0.016 0.000 0.973 345 D HN 0.158 nan 8.370 nan 0.000 0.501 346 L N 0.076 121.270 121.223 -0.047 0.000 2.298 346 L HA 0.029 4.369 4.340 0.000 0.000 0.209 346 L C 2.120 178.956 176.870 -0.057 0.000 1.084 346 L CA 0.123 54.939 54.840 -0.040 0.000 0.816 346 L CB 0.060 42.104 42.059 -0.025 0.000 0.967 346 L HN 0.014 nan 8.230 nan 0.000 0.460 347 L N 0.950 122.119 121.223 -0.091 0.000 2.023 347 L HA -0.001 4.339 4.340 0.000 0.000 0.205 347 L C -0.552 176.180 176.870 -0.230 0.000 1.073 347 L CA 1.961 56.714 54.840 -0.146 0.000 0.745 347 L CB -1.500 40.440 42.059 -0.199 0.000 0.900 347 L HN 0.008 nan 8.230 nan 0.000 0.435 348 P HA -0.149 nan 4.420 nan 0.000 0.213 348 P C -1.352 175.835 177.300 -0.190 0.000 1.170 348 P CA 2.376 65.316 63.100 -0.267 0.000 0.902 348 P CB -1.576 30.004 31.700 -0.199 0.000 0.789 349 P HA -0.186 nan 4.420 nan 0.000 0.218 349 P C 1.544 178.809 177.300 -0.057 0.000 1.150 349 P CA 1.600 64.656 63.100 -0.073 0.000 0.841 349 P CB -0.591 31.082 31.700 -0.044 0.000 0.784 350 I N -1.118 119.412 120.570 -0.066 0.000 2.206 350 I HA -0.156 4.014 4.170 0.000 0.000 0.239 350 I C 2.603 178.719 176.117 -0.002 0.000 1.078 350 I CA 0.858 62.162 61.300 0.006 0.000 1.367 350 I CB -1.069 36.966 38.000 0.058 0.000 1.078 350 I HN -0.214 nan 8.210 nan 0.000 0.413 351 V N 1.407 121.172 119.914 -0.248 0.000 2.233 351 V HA -0.376 3.744 4.120 0.000 0.000 0.252 351 V C 2.473 178.506 176.094 -0.103 0.000 1.063 351 V CA 2.365 64.401 62.300 -0.440 0.000 1.032 351 V CB -0.888 30.498 31.823 -0.728 0.000 0.645 351 V HN 0.472 nan 8.190 nan 0.000 0.446 352 E N -0.275 119.858 120.200 -0.110 0.000 2.058 352 E HA -0.318 4.032 4.350 0.000 0.000 0.194 352 E C 2.251 178.865 176.600 0.023 0.000 0.997 352 E CA 1.673 58.047 56.400 -0.042 0.000 0.801 352 E CB -0.241 29.427 29.700 -0.053 0.000 0.746 352 E HN 0.444 nan 8.360 nan 0.000 0.450 353 K N 0.919 121.339 120.400 0.034 0.000 2.097 353 K HA -0.109 4.211 4.320 0.000 0.000 0.205 353 K C 1.893 178.553 176.600 0.100 0.000 1.050 353 K CA 0.846 57.167 56.287 0.056 0.000 0.938 353 K CB -0.137 32.391 32.500 0.048 0.000 0.718 353 K HN -0.038 nan 8.250 nan 0.000 0.442 354 V N 0.885 120.897 119.914 0.162 0.000 2.346 354 V HA -0.177 3.943 4.120 0.000 0.000 0.244 354 V C 2.260 178.496 176.094 0.237 0.000 1.037 354 V CA 1.487 63.928 62.300 0.235 0.000 1.029 354 V CB -0.467 31.615 31.823 0.431 0.000 0.663 354 V HN 0.351 nan 8.190 nan 0.000 0.454 355 Q N 0.192 120.140 119.800 0.247 0.000 2.234 355 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 355 Q C 2.351 178.432 176.000 0.135 0.000 0.980 355 Q CA 1.732 57.659 55.803 0.207 0.000 0.869 355 Q CB -0.617 28.217 28.738 0.160 0.000 0.912 355 Q HN 0.656 nan 8.270 nan 0.000 0.436 356 A N 1.094 123.978 122.820 0.106 0.000 2.067 356 A HA -0.125 4.195 4.320 0.000 0.000 0.219 356 A C 2.249 179.886 177.584 0.088 0.000 1.158 356 A CA 1.746 53.829 52.037 0.077 0.000 0.661 356 A CB -0.686 18.348 19.000 0.056 0.000 0.801 356 A HN 0.526 nan 8.150 nan 0.000 0.452 357 T N -4.226 110.402 114.554 0.123 0.000 3.007 357 T HA 0.293 4.643 4.350 0.000 0.000 0.270 357 T C 1.664 176.464 174.700 0.167 0.000 1.107 357 T CA 1.375 63.569 62.100 0.158 0.000 1.118 357 T CB -0.178 68.816 68.868 0.210 0.000 0.889 357 T HN 1.611 nan 8.240 nan 0.000 0.506 358 G N 0.911 109.783 108.800 0.119 0.000 2.345 358 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 358 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 358 G C 0.176 175.091 174.900 0.026 0.000 1.058 358 G CA 0.028 45.151 45.100 0.038 0.000 0.632 358 G HN 0.724 nan 8.290 nan 0.000 0.508 359 H N 2.015 121.109 119.070 0.041 0.000 2.948 359 H HA 0.222 4.778 4.556 -0.000 0.000 0.351 359 H C 0.376 175.726 175.328 0.038 0.000 1.079 359 H CA 0.919 56.984 56.048 0.029 0.000 1.407 359 H CB 0.337 30.107 29.762 0.014 0.000 1.373 359 H HN 0.470 nan 8.280 nan 0.000 0.605 360 Q N 2.640 122.514 119.800 0.124 0.000 2.466 360 Q HA 0.283 4.623 4.340 0.000 0.000 0.242 360 Q C 0.102 176.107 176.000 0.008 0.000 1.046 360 Q CA -0.579 55.273 55.803 0.081 0.000 0.841 360 Q CB 1.323 30.094 28.738 0.056 0.000 1.193 360 Q HN 0.385 nan 8.270 nan 0.000 0.508 361 V N 0.180 120.042 119.914 -0.087 0.000 2.904 361 V HA 0.524 4.644 4.120 0.000 0.000 0.305 361 V C 0.146 176.004 176.094 -0.393 0.000 1.067 361 V CA -0.827 61.288 62.300 -0.308 0.000 1.044 361 V CB 0.980 32.452 31.823 -0.585 0.000 1.050 361 V HN 0.565 nan 8.190 nan 0.000 0.475 362 I N 2.219 122.568 120.570 -0.368 0.000 2.428 362 I HA 0.300 4.470 4.170 0.000 0.000 0.289 362 I C -0.761 175.108 176.117 -0.413 0.000 1.019 362 I CA 0.037 61.171 61.300 -0.277 0.000 1.351 362 I CB 1.213 39.106 38.000 -0.178 0.000 1.412 362 I HN 0.716 nan 8.210 nan 0.000 0.513 363 W N 6.272 127.535 121.300 -0.061 0.000 2.298 363 W HA 0.417 5.077 4.660 0.000 0.000 0.327 363 W C 0.098 176.631 176.519 0.024 0.000 0.988 363 W CA -0.391 56.976 57.345 0.037 0.000 1.448 363 W CB 0.674 30.160 29.460 0.044 0.000 1.243 363 W HN 0.409 nan 8.180 nan 0.000 0.388 364 Q N 2.562 122.426 119.800 0.107 0.000 2.226 364 Q HA 0.578 4.918 4.340 0.000 0.000 0.256 364 Q C -0.735 175.104 176.000 -0.267 0.000 0.962 364 Q CA -0.611 55.098 55.803 -0.157 0.000 0.887 364 Q CB 2.050 30.672 28.738 -0.192 0.000 1.282 364 Q HN 0.576 nan 8.270 nan 0.000 0.449 365 C N 2.797 121.716 119.300 -0.634 0.000 2.379 365 C HA 0.534 4.994 4.460 0.000 0.000 0.323 365 C C -1.143 173.665 174.990 -0.304 0.000 1.262 365 C CA -0.386 58.200 59.018 -0.720 0.000 1.581 365 C CB 0.980 27.851 27.740 -1.448 0.000 2.221 365 C HN 0.914 nan 8.230 nan 0.000 0.497 366 D N 6.110 126.413 120.400 -0.162 0.000 2.408 366 D HA 0.408 5.048 4.640 0.000 0.000 0.261 366 D C -2.000 174.280 176.300 -0.033 0.000 1.190 366 D CA -1.681 52.273 54.000 -0.077 0.000 0.910 366 D CB 1.471 42.219 40.800 -0.087 0.000 1.097 366 D HN 0.472 nan 8.370 nan 0.000 0.522 367 P HA 0.123 nan 4.420 nan 0.000 0.254 367 P C 0.657 177.945 177.300 -0.020 0.000 1.494 367 P CA -0.101 62.990 63.100 -0.014 0.000 0.961 367 P CB 0.496 32.184 31.700 -0.020 0.000 1.493 368 M N -0.623 118.945 119.600 -0.054 0.000 2.738 368 M HA 0.121 4.601 4.480 0.000 0.000 0.256 368 M C 1.803 177.996 176.300 -0.179 0.000 1.253 368 M CA 1.886 57.096 55.300 -0.150 0.000 1.223 368 M CB -0.659 31.771 32.600 -0.283 0.000 1.263 368 M HN -0.088 nan 8.290 nan 0.000 0.521 369 H N -1.307 117.754 119.070 -0.015 0.000 2.363 369 H HA 0.189 4.745 4.556 -0.000 0.000 0.301 369 H C 1.815 177.156 175.328 0.022 0.000 1.074 369 H CA 1.548 57.597 56.048 0.002 0.000 1.354 369 H CB -0.615 29.137 29.762 -0.017 0.000 1.397 369 H HN 0.500 nan 8.280 nan 0.000 0.516 370 G N 0.115 108.992 108.800 0.129 0.000 2.559 370 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 370 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 370 G C 0.215 175.181 174.900 0.110 0.000 1.126 370 G CA 0.261 45.417 45.100 0.092 0.000 0.778 370 G HN 0.248 nan 8.290 nan 0.000 0.543 371 N N 0.233 118.993 118.700 0.100 0.000 2.623 371 N HA 0.346 5.086 4.740 0.000 0.000 0.256 371 N C -1.416 174.161 175.510 0.111 0.000 1.045 371 N CA -0.053 53.076 53.050 0.131 0.000 0.863 371 N CB 1.690 40.243 38.487 0.109 0.000 1.182 371 N HN -0.036 nan 8.380 nan 0.000 0.523 372 T N 0.324 114.953 114.554 0.125 0.000 3.237 372 T HA 0.169 4.519 4.350 0.000 0.000 0.319 372 T C 0.687 175.447 174.700 0.100 0.000 1.037 372 T CA -0.551 61.591 62.100 0.071 0.000 1.048 372 T CB 0.506 69.398 68.868 0.040 0.000 1.081 372 T HN 0.570 nan 8.240 nan 0.000 0.455 373 H N 2.160 121.287 119.070 0.096 0.000 2.451 373 H HA 0.400 4.956 4.556 0.000 0.000 0.294 373 H C 0.537 175.906 175.328 0.068 0.000 1.028 373 H CA 0.985 57.075 56.048 0.071 0.000 1.349 373 H CB 0.030 29.822 29.762 0.050 0.000 1.444 373 H HN 0.972 nan 8.280 nan 0.000 0.538 374 E N 1.415 121.572 120.200 -0.072 0.000 5.278 374 E HA -0.134 4.216 4.350 0.000 0.000 0.173 374 E C 0.294 177.044 176.600 0.251 0.000 1.365 374 E CA 0.617 57.052 56.400 0.060 0.000 1.205 374 E CB -2.445 27.307 29.700 0.087 0.000 1.015 374 E HN 0.981 nan 8.360 nan 0.000 0.350 375 S N -0.025 115.830 115.700 0.257 0.000 2.596 375 S HA 0.533 5.003 4.470 0.000 0.000 0.260 375 S C 1.391 176.125 174.600 0.223 0.000 1.336 375 S CA 0.393 58.832 58.200 0.398 0.000 0.993 375 S CB 1.864 65.322 63.200 0.431 0.000 0.923 375 S HN 1.721 nan 8.310 nan 0.000 0.567 376 S N -0.347 115.455 115.700 0.170 0.000 2.593 376 S HA 0.126 4.596 4.470 0.000 0.000 0.217 376 S C 0.755 175.419 174.600 0.106 0.000 0.966 376 S CA 0.126 58.389 58.200 0.105 0.000 0.914 376 S CB -0.676 62.562 63.200 0.063 0.000 0.776 376 S HN 0.804 nan 8.310 nan 0.000 0.523 377 T N 0.751 115.405 114.554 0.166 0.000 3.214 377 T HA 0.456 4.806 4.350 0.000 0.000 0.264 377 T C 1.232 175.994 174.700 0.103 0.000 1.012 377 T CA 0.358 62.568 62.100 0.184 0.000 0.901 377 T CB 0.337 69.389 68.868 0.307 0.000 1.070 377 T HN 0.535 nan 8.240 nan 0.000 0.561 378 G N 2.035 110.852 108.800 0.027 0.000 2.454 378 G HA2 -0.246 3.714 3.960 0.000 0.000 0.225 378 G HA3 -0.246 3.714 3.960 0.000 0.000 0.225 378 G C 0.045 174.868 174.900 -0.128 0.000 1.138 378 G CA -0.607 44.412 45.100 -0.135 0.000 0.667 378 G HN 0.533 nan 8.290 nan 0.000 0.512 379 F N 3.242 123.210 119.950 0.031 0.000 2.543 379 F HA 0.542 5.069 4.527 -0.000 0.000 0.375 379 F C 1.142 177.014 175.800 0.119 0.000 1.075 379 F CA 0.388 58.414 58.000 0.043 0.000 1.225 379 F CB 0.411 39.501 39.000 0.151 0.000 1.099 379 F HN 0.518 nan 8.300 nan 0.000 0.561 380 K N 1.706 122.271 120.400 0.275 0.000 2.319 380 K HA 0.643 4.963 4.320 0.000 0.000 0.265 380 K C -0.047 176.679 176.600 0.209 0.000 1.000 380 K CA -0.261 56.141 56.287 0.192 0.000 0.943 380 K CB 0.281 32.876 32.500 0.159 0.000 0.950 380 K HN 0.718 nan 8.250 nan 0.000 0.485 381 T N -0.197 114.304 114.554 -0.089 0.000 2.840 381 T HA 0.750 5.100 4.350 0.000 0.000 0.317 381 T C -0.653 173.799 174.700 -0.413 0.000 1.401 381 T CA -0.223 61.738 62.100 -0.233 0.000 1.028 381 T CB 1.438 70.201 68.868 -0.176 0.000 1.317 381 T HN 1.035 nan 8.240 nan 0.000 0.495 382 R N 0.620 121.029 120.500 -0.151 0.000 2.664 382 R HA 0.771 5.111 4.340 0.000 0.000 0.286 382 R C -0.953 175.490 176.300 0.238 0.000 0.967 382 R CA -0.808 55.297 56.100 0.008 0.000 0.933 382 R CB 0.479 30.788 30.300 0.016 0.000 1.146 382 R HN 0.875 nan 8.270 nan 0.000 0.468 383 H N 0.954 120.160 119.070 0.227 0.000 2.467 383 H HA 0.464 5.020 4.556 0.000 0.000 0.331 383 H C 0.326 175.784 175.328 0.216 0.000 1.120 383 H CA -1.207 54.992 56.048 0.251 0.000 1.270 383 H CB 1.132 31.034 29.762 0.233 0.000 1.466 383 H HN 0.536 nan 8.280 nan 0.000 0.504 384 F N 2.581 122.327 119.950 -0.338 0.000 2.234 384 F HA -0.061 4.466 4.527 -0.000 0.000 0.296 384 F C 1.296 176.923 175.800 -0.288 0.000 1.089 384 F CA 1.214 59.069 58.000 -0.242 0.000 1.343 384 F CB 0.142 39.050 39.000 -0.153 0.000 1.040 384 F HN 0.603 nan 8.300 nan 0.000 0.498 385 D N 0.084 120.135 120.400 -0.582 0.000 2.097 385 D HA -0.130 4.510 4.640 0.000 0.000 0.197 385 D C 2.343 178.504 176.300 -0.231 0.000 0.984 385 D CA 1.247 55.017 54.000 -0.383 0.000 0.826 385 D CB -0.454 40.208 40.800 -0.229 0.000 0.973 385 D HN 0.207 nan 8.370 nan 0.000 0.460 386 R N 0.057 120.481 120.500 -0.128 0.000 2.139 386 R HA -0.084 4.256 4.340 0.000 0.000 0.243 386 R C 2.368 178.655 176.300 -0.021 0.000 1.145 386 R CA 0.740 56.856 56.100 0.027 0.000 0.976 386 R CB -0.246 30.149 30.300 0.158 0.000 0.866 386 R HN 0.259 nan 8.270 nan 0.000 0.449 387 I N -0.421 120.083 120.570 -0.109 0.000 2.163 387 I HA -0.256 3.914 4.170 0.000 0.000 0.240 387 I C 2.108 178.124 176.117 -0.169 0.000 1.081 387 I CA 1.078 62.306 61.300 -0.121 0.000 1.353 387 I CB -0.211 37.703 38.000 -0.143 0.000 1.054 387 I HN -0.013 nan 8.210 nan 0.000 0.407 388 V N 0.846 120.558 119.914 -0.336 0.000 2.380 388 V HA -0.361 3.759 4.120 0.000 0.000 0.251 388 V C 2.118 178.153 176.094 -0.099 0.000 1.063 388 V CA 2.366 64.507 62.300 -0.264 0.000 1.055 388 V CB -0.717 30.892 31.823 -0.357 0.000 0.657 388 V HN 0.471 nan 8.190 nan 0.000 0.455 389 D N -0.265 120.091 120.400 -0.074 0.000 2.097 389 D HA -0.212 4.428 4.640 0.000 0.000 0.195 389 D C 2.220 178.554 176.300 0.057 0.000 0.989 389 D CA 1.562 55.564 54.000 0.002 0.000 0.827 389 D CB -0.093 40.719 40.800 0.020 0.000 0.966 389 D HN 0.573 nan 8.370 nan 0.000 0.456 390 E N -0.531 119.703 120.200 0.057 0.000 2.085 390 E HA -0.180 4.170 4.350 0.000 0.000 0.194 390 E C 2.013 178.721 176.600 0.179 0.000 0.994 390 E CA 1.303 57.763 56.400 0.100 0.000 0.801 390 E CB 0.055 29.797 29.700 0.070 0.000 0.743 390 E HN 0.147 nan 8.360 nan 0.000 0.453 391 V N 0.855 120.859 119.914 0.149 0.000 2.427 391 V HA -0.248 3.872 4.120 0.000 0.000 0.248 391 V C 2.456 178.796 176.094 0.409 0.000 1.051 391 V CA 1.910 64.372 62.300 0.269 0.000 1.048 391 V CB -0.700 31.222 31.823 0.166 0.000 0.666 391 V HN 0.318 nan 8.190 nan 0.000 0.456 392 Q N 1.484 121.406 119.800 0.204 0.000 1.975 392 Q HA -0.133 4.207 4.340 0.000 0.000 0.205 392 Q C 2.244 178.391 176.000 0.244 0.000 0.990 392 Q CA 2.603 58.506 55.803 0.167 0.000 0.845 392 Q CB -1.282 27.496 28.738 0.067 0.000 0.913 392 Q HN 0.476 nan 8.270 nan 0.000 0.420 393 G N -0.276 108.634 108.800 0.184 0.000 2.469 393 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 393 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 393 G C 1.377 176.376 174.900 0.165 0.000 1.150 393 G CA 0.809 45.994 45.100 0.141 0.000 0.763 393 G HN 0.483 nan 8.290 nan 0.000 0.561 394 F N 0.650 120.670 119.950 0.118 0.000 2.115 394 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 394 F C 2.220 178.103 175.800 0.138 0.000 1.092 394 F CA 1.658 59.720 58.000 0.104 0.000 1.245 394 F CB -0.198 38.876 39.000 0.124 0.000 0.995 394 F HN 0.129 nan 8.300 nan 0.000 0.481 395 F N 0.769 120.871 119.950 0.253 0.000 2.163 395 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 395 F C 2.416 178.237 175.800 0.035 0.000 1.094 395 F CA 1.729 59.829 58.000 0.166 0.000 1.290 395 F CB -0.758 38.351 39.000 0.182 0.000 1.017 395 F HN -0.017 nan 8.300 nan 0.000 0.483 396 E N -0.157 120.158 120.200 0.193 0.000 2.051 396 E HA -0.179 4.171 4.350 0.000 0.000 0.192 396 E C 2.364 178.943 176.600 -0.035 0.000 0.991 396 E CA 1.470 57.915 56.400 0.076 0.000 0.799 396 E CB -0.406 29.329 29.700 0.058 0.000 0.748 396 E HN 0.109 nan 8.360 nan 0.000 0.449 397 V N 1.414 121.252 119.914 -0.127 0.000 2.278 397 V HA -0.318 3.802 4.120 0.000 0.000 0.251 397 V C 2.208 178.090 176.094 -0.354 0.000 1.062 397 V CA 2.011 64.142 62.300 -0.281 0.000 1.038 397 V CB -0.612 30.953 31.823 -0.430 0.000 0.646 397 V HN 0.383 nan 8.190 nan 0.000 0.447 398 H N -0.242 118.617 119.070 -0.351 0.000 2.284 398 H HA -0.011 4.545 4.556 0.000 0.000 0.304 398 H C 2.607 177.832 175.328 -0.173 0.000 1.069 398 H CA 1.455 57.291 56.048 -0.353 0.000 1.327 398 H CB -0.217 29.259 29.762 -0.477 0.000 1.387 398 H HN 0.291 nan 8.280 nan 0.000 0.498 399 R N 0.707 121.234 120.500 0.046 0.000 2.159 399 R HA -0.197 4.143 4.340 0.000 0.000 0.249 399 R C 2.376 178.680 176.300 0.007 0.000 1.136 399 R CA 1.346 57.478 56.100 0.053 0.000 0.951 399 R CB -0.993 29.357 30.300 0.083 0.000 0.876 399 R HN 0.323 nan 8.270 nan 0.000 0.440 400 A N 1.236 124.039 122.820 -0.028 0.000 1.892 400 A HA -0.127 4.193 4.320 0.000 0.000 0.218 400 A C 2.222 179.773 177.584 -0.055 0.000 1.188 400 A CA 1.408 53.419 52.037 -0.044 0.000 0.631 400 A CB -0.517 18.443 19.000 -0.066 0.000 0.822 400 A HN 0.261 nan 8.150 nan 0.000 0.447 401 L N -1.174 119.995 121.223 -0.090 0.000 2.591 401 L HA 0.196 4.536 4.340 0.000 0.000 0.228 401 L C 1.659 178.503 176.870 -0.044 0.000 1.133 401 L CA 0.454 55.240 54.840 -0.090 0.000 0.880 401 L CB -0.709 41.252 42.059 -0.163 0.000 1.033 401 L HN 0.607 nan 8.230 nan 0.000 0.450 402 G N 1.248 110.038 108.800 -0.016 0.000 2.168 402 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 402 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 402 G C 0.506 175.429 174.900 0.039 0.000 0.997 402 G CA 0.734 45.843 45.100 0.016 0.000 0.708 402 G HN 0.470 nan 8.290 nan 0.000 0.520 403 T N -2.974 111.606 114.554 0.045 0.000 2.824 403 T HA 0.519 4.869 4.350 0.000 0.000 0.277 403 T C 0.098 174.864 174.700 0.110 0.000 0.975 403 T CA -0.015 62.143 62.100 0.097 0.000 0.966 403 T CB 1.752 70.669 68.868 0.082 0.000 1.054 403 T HN 0.631 nan 8.240 nan 0.000 0.533 404 H N 2.153 121.202 119.070 -0.036 0.000 2.641 404 H HA 0.394 4.950 4.556 -0.000 0.000 0.295 404 H C -2.479 172.622 175.328 -0.378 0.000 1.070 404 H CA -2.553 53.432 56.048 -0.105 0.000 1.257 404 H CB 0.452 30.224 29.762 0.017 0.000 1.393 404 H HN 0.341 nan 8.280 nan 0.000 0.464 405 P HA 0.029 nan 4.420 nan 0.000 0.260 405 P C 0.795 177.685 177.300 -0.683 0.000 1.207 405 P CA 0.464 63.084 63.100 -0.801 0.000 0.780 405 P CB 0.964 32.184 31.700 -0.801 0.000 0.789 406 G N 2.842 111.335 108.800 -0.511 0.000 2.408 406 G HA2 0.353 4.313 3.960 0.000 0.000 0.213 406 G HA3 0.353 4.313 3.960 0.000 0.000 0.213 406 G C 0.581 174.965 174.900 -0.860 0.000 1.177 406 G CA 0.678 45.423 45.100 -0.592 0.000 0.802 406 G HN 0.777 nan 8.290 nan 0.000 0.533 407 G N -0.853 107.436 108.800 -0.852 0.000 2.428 407 G HA2 0.470 4.430 3.960 0.000 0.000 0.304 407 G HA3 0.470 4.430 3.960 0.000 0.000 0.304 407 G C -1.564 172.980 174.900 -0.594 0.000 1.303 407 G CA -0.327 43.999 45.100 -1.291 0.000 0.825 407 G HN 0.763 nan 8.290 nan 0.000 0.484 408 I N -2.443 117.901 120.570 -0.376 0.000 2.785 408 I HA 0.785 4.955 4.170 0.000 0.000 0.302 408 I C -1.035 174.984 176.117 -0.162 0.000 1.069 408 I CA -1.102 60.081 61.300 -0.194 0.000 1.045 408 I CB 2.522 40.514 38.000 -0.014 0.000 1.236 408 I HN 0.630 nan 8.210 nan 0.000 0.429 409 H N 3.324 122.267 119.070 -0.211 0.000 2.505 409 H HA 0.792 5.348 4.556 0.000 0.000 0.338 409 H C -1.522 173.720 175.328 -0.143 0.000 1.057 409 H CA -0.570 55.352 56.048 -0.210 0.000 1.202 409 H CB 1.846 31.433 29.762 -0.291 0.000 1.466 409 H HN 0.539 nan 8.280 nan 0.000 0.499 410 V N 4.361 124.331 119.914 0.092 0.000 2.841 410 V HA 0.186 4.306 4.120 0.000 0.000 0.310 410 V C -0.616 175.512 176.094 0.057 0.000 1.090 410 V CA -0.979 61.350 62.300 0.047 0.000 0.930 410 V CB 2.099 33.932 31.823 0.015 0.000 1.014 410 V HN 0.825 nan 8.190 nan 0.000 0.425 411 E N 4.732 124.938 120.200 0.010 0.000 2.035 411 E HA 0.584 4.934 4.350 0.000 0.000 0.271 411 E C -0.483 176.110 176.600 -0.011 0.000 0.953 411 E CA -0.169 56.234 56.400 0.005 0.000 0.777 411 E CB 1.449 31.124 29.700 -0.041 0.000 1.104 411 E HN 0.678 nan 8.360 nan 0.000 0.408 412 I N -1.206 119.359 120.570 -0.009 0.000 3.516 412 I HA 0.766 4.936 4.170 0.000 0.000 0.297 412 I C -0.368 175.725 176.117 -0.040 0.000 1.139 412 I CA -0.761 60.520 61.300 -0.032 0.000 1.020 412 I CB 2.590 40.567 38.000 -0.037 0.000 1.341 412 I HN 0.221 nan 8.210 nan 0.000 0.490 413 T N -0.740 113.776 114.554 -0.064 0.000 2.886 413 T HA 0.448 4.798 4.350 0.000 0.000 0.330 413 T C 0.288 174.925 174.700 -0.105 0.000 1.488 413 T CA 0.104 62.159 62.100 -0.075 0.000 1.054 413 T CB 1.503 70.359 68.868 -0.020 0.000 1.348 413 T HN 0.986 nan 8.240 nan 0.000 0.489 414 G N 1.229 109.949 108.800 -0.134 0.000 2.394 414 G HA2 0.067 4.027 3.960 0.000 0.000 0.215 414 G HA3 0.067 4.027 3.960 0.000 0.000 0.215 414 G C 0.193 175.026 174.900 -0.111 0.000 1.165 414 G CA 0.427 45.440 45.100 -0.145 0.000 0.784 414 G HN 0.653 nan 8.290 nan 0.000 0.535 415 E N 1.016 121.181 120.200 -0.058 0.000 2.376 415 E HA 0.128 4.478 4.350 0.000 0.000 0.266 415 E C -0.069 176.498 176.600 -0.055 0.000 1.009 415 E CA -0.243 56.136 56.400 -0.035 0.000 0.902 415 E CB 0.582 30.295 29.700 0.021 0.000 0.972 415 E HN 0.057 nan 8.360 nan 0.000 0.439 416 N N 3.136 121.799 118.700 -0.063 0.000 2.739 416 N HA 0.052 4.792 4.740 0.000 0.000 0.266 416 N C -1.147 174.324 175.510 -0.064 0.000 1.168 416 N CA -0.096 52.910 53.050 -0.073 0.000 1.055 416 N CB -0.076 38.370 38.487 -0.068 0.000 1.393 416 N HN 0.301 nan 8.380 nan 0.000 0.514 417 V N -0.278 119.593 119.914 -0.072 0.000 2.975 417 V HA 0.858 4.978 4.120 0.000 0.000 0.318 417 V C 0.582 176.611 176.094 -0.108 0.000 1.077 417 V CA -0.389 61.868 62.300 -0.072 0.000 1.000 417 V CB 1.833 33.621 31.823 -0.057 0.000 1.066 417 V HN 0.333 nan 8.190 nan 0.000 0.452 437 E N 0.663 120.943 120.200 0.133 0.000 2.403 437 E HA 0.045 4.395 4.350 0.000 0.000 0.188 437 E C 0.747 177.355 176.600 0.014 0.000 1.056 437 E CA 0.025 56.461 56.400 0.060 0.000 0.892 437 E CB 0.752 30.458 29.700 0.010 0.000 1.049 437 E HN 0.273 nan 8.360 nan 0.000 0.465 438 T N -0.660 113.940 114.554 0.077 0.000 2.899 438 T HA 0.384 4.734 4.350 0.000 0.000 0.284 438 T C 0.442 175.106 174.700 -0.061 0.000 1.004 438 T CA -0.335 61.774 62.100 0.015 0.000 1.043 438 T CB 1.367 70.263 68.868 0.048 0.000 1.013 438 T HN 0.052 nan 8.240 nan 0.000 0.518 439 A N 2.240 124.937 122.820 -0.205 0.000 2.708 439 A HA 0.548 4.868 4.320 0.000 0.000 0.293 439 A C 0.637 178.112 177.584 -0.181 0.000 1.303 439 A CA -0.526 51.203 52.037 -0.514 0.000 0.949 439 A CB -0.903 17.584 19.000 -0.855 0.000 1.121 439 A HN 0.825 nan 8.150 nan 0.000 0.542 440 C N -1.538 117.783 119.300 0.035 0.000 3.256 440 C HA 0.438 4.898 4.460 0.000 0.000 0.354 440 C C -1.010 174.097 174.990 0.195 0.000 4.167 440 C CA -0.426 58.678 59.018 0.144 0.000 1.360 440 C CB 0.122 27.944 27.740 0.137 0.000 4.682 440 C HN 0.490 nan 8.230 nan 0.000 0.466 441 D N 2.194 122.690 120.400 0.160 0.000 2.368 441 D HA 0.318 4.958 4.640 0.000 0.000 0.240 441 D C -2.013 174.342 176.300 0.092 0.000 1.169 441 D CA -0.162 53.926 54.000 0.146 0.000 0.906 441 D CB 0.765 41.622 40.800 0.095 0.000 1.187 441 D HN 0.399 nan 8.370 nan 0.000 0.435 442 P HA 0.256 nan 4.420 nan 0.000 0.277 442 P C -0.119 177.107 177.300 -0.123 0.000 1.271 442 P CA -0.246 62.758 63.100 -0.160 0.000 0.795 442 P CB 1.502 33.108 31.700 -0.157 0.000 1.101 443 R N -1.039 119.370 120.500 -0.151 0.000 3.875 443 R HA 0.417 4.757 4.340 0.000 0.000 0.255 443 R C -1.003 175.254 176.300 -0.072 0.000 0.953 443 R CA -0.836 55.209 56.100 -0.091 0.000 0.771 443 R CB -0.139 30.113 30.300 -0.080 0.000 1.781 443 R HN 0.222 nan 8.270 nan 0.000 0.393 444 L N 1.666 122.860 121.223 -0.047 0.000 2.400 444 L HA 0.515 4.855 4.340 0.000 0.000 0.264 444 L C -0.302 176.512 176.870 -0.094 0.000 1.061 444 L CA -1.334 53.475 54.840 -0.051 0.000 0.799 444 L CB 1.058 43.121 42.059 0.007 0.000 1.240 444 L HN 0.692 nan 8.230 nan 0.000 0.461 445 N N -1.853 116.771 118.700 -0.127 0.000 2.471 445 N HA 0.119 4.859 4.740 0.000 0.000 0.288 445 N C 0.493 175.918 175.510 -0.142 0.000 1.220 445 N CA -0.439 52.534 53.050 -0.128 0.000 0.893 445 N CB 0.945 39.352 38.487 -0.134 0.000 1.256 445 N HN 0.616 nan 8.380 nan 0.000 0.534 446 T N -0.713 113.758 114.554 -0.140 0.000 2.624 446 T HA -0.346 4.004 4.350 0.000 0.000 0.266 446 T C 1.394 175.951 174.700 -0.238 0.000 1.050 446 T CA 2.554 64.553 62.100 -0.169 0.000 1.163 446 T CB -0.419 68.351 68.868 -0.164 0.000 0.861 446 T HN 0.690 nan 8.240 nan 0.000 0.443 447 Q N -0.663 118.991 119.800 -0.242 0.000 2.436 447 Q HA -0.040 4.300 4.340 0.000 0.000 0.209 447 Q C 2.189 177.984 176.000 -0.342 0.000 0.965 447 Q CA 1.161 56.766 55.803 -0.331 0.000 0.910 447 Q CB -0.093 28.546 28.738 -0.165 0.000 0.980 447 Q HN 0.737 nan 8.270 nan 0.000 0.491 448 Q N -0.424 119.206 119.800 -0.283 0.000 2.324 448 Q HA -0.048 4.292 4.340 0.000 0.000 0.207 448 Q C 2.053 177.964 176.000 -0.149 0.000 0.928 448 Q CA 0.989 56.589 55.803 -0.338 0.000 0.890 448 Q CB 0.264 28.770 28.738 -0.388 0.000 1.001 448 Q HN 0.491 nan 8.270 nan 0.000 0.517 449 S N 0.278 115.914 115.700 -0.107 0.000 2.371 449 S HA -0.138 4.332 4.470 0.000 0.000 0.224 449 S C 1.901 176.473 174.600 -0.046 0.000 1.029 449 S CA 0.783 58.970 58.200 -0.021 0.000 0.978 449 S CB -0.487 62.688 63.200 -0.042 0.000 0.833 449 S HN 0.363 nan 8.310 nan 0.000 0.466 450 L N 2.339 123.453 121.223 -0.181 0.000 2.012 450 L HA -0.049 4.291 4.340 0.000 0.000 0.210 450 L C 2.656 179.425 176.870 -0.168 0.000 1.073 450 L CA 2.391 57.095 54.840 -0.227 0.000 0.748 450 L CB -1.079 40.617 42.059 -0.606 0.000 0.891 450 L HN 0.547 nan 8.230 nan 0.000 0.431 451 E N -1.052 118.970 120.200 -0.295 0.000 2.118 451 E HA -0.279 4.071 4.350 0.000 0.000 0.195 451 E C 2.181 178.819 176.600 0.064 0.000 0.992 451 E CA 1.494 57.778 56.400 -0.194 0.000 0.804 451 E CB -0.247 29.424 29.700 -0.050 0.000 0.741 451 E HN 0.431 nan 8.360 nan 0.000 0.458 452 L N 0.644 121.984 121.223 0.195 0.000 2.056 452 L HA -0.029 4.311 4.340 0.000 0.000 0.207 452 L C 2.213 179.154 176.870 0.119 0.000 1.078 452 L CA 2.121 57.082 54.840 0.202 0.000 0.749 452 L CB -0.801 41.381 42.059 0.204 0.000 0.901 452 L HN 0.160 nan 8.230 nan 0.000 0.433 453 A N -0.761 122.129 122.820 0.115 0.000 1.908 453 A HA -0.228 4.092 4.320 0.000 0.000 0.218 453 A C 2.198 179.808 177.584 0.043 0.000 1.181 453 A CA 1.991 54.073 52.037 0.076 0.000 0.627 453 A CB -1.219 17.823 19.000 0.070 0.000 0.818 453 A HN 0.488 nan 8.150 nan 0.000 0.445 454 F N -0.097 119.797 119.950 -0.092 0.000 2.161 454 F HA -0.181 4.346 4.527 0.000 0.000 0.300 454 F C 2.139 177.943 175.800 0.006 0.000 1.089 454 F CA 1.461 59.411 58.000 -0.083 0.000 1.282 454 F CB -0.236 38.551 39.000 -0.355 0.000 1.010 454 F HN 0.126 nan 8.300 nan 0.000 0.485 455 L N -1.108 120.226 121.223 0.185 0.000 2.131 455 L HA -0.139 4.201 4.340 0.000 0.000 0.206 455 L C 2.176 179.043 176.870 -0.004 0.000 1.087 455 L CA 0.455 55.379 54.840 0.140 0.000 0.767 455 L CB -0.574 41.564 42.059 0.131 0.000 0.917 455 L HN -0.065 nan 8.230 nan 0.000 0.441 456 V N 0.006 119.900 119.914 -0.034 0.000 2.809 456 V HA -0.165 3.955 4.120 0.000 0.000 0.256 456 V C 2.642 178.615 176.094 -0.202 0.000 1.080 456 V CA 1.357 63.573 62.300 -0.139 0.000 1.102 456 V CB -0.551 31.260 31.823 -0.020 0.000 0.705 456 V HN 0.429 nan 8.190 nan 0.000 0.475 457 A N -0.134 122.609 122.820 -0.128 0.000 1.902 457 A HA -0.167 4.153 4.320 0.000 0.000 0.217 457 A C 2.214 179.731 177.584 -0.111 0.000 1.181 457 A CA 1.488 53.438 52.037 -0.144 0.000 0.623 457 A CB -0.286 18.615 19.000 -0.164 0.000 0.818 457 A HN 0.502 nan 8.150 nan 0.000 0.443 458 E N -0.179 119.982 120.200 -0.065 0.000 2.152 458 E HA -0.104 4.246 4.350 0.000 0.000 0.192 458 E C 2.053 178.581 176.600 -0.121 0.000 0.983 458 E CA 1.014 57.387 56.400 -0.045 0.000 0.818 458 E CB -0.470 29.242 29.700 0.020 0.000 0.758 458 E HN 0.736 nan 8.360 nan 0.000 0.467 459 M N 0.256 119.713 119.600 -0.239 0.000 2.144 459 M HA -0.165 4.315 4.480 0.000 0.000 0.260 459 M C 1.964 178.066 176.300 -0.330 0.000 1.067 459 M CA 1.102 56.151 55.300 -0.417 0.000 1.095 459 M CB -0.204 31.849 32.600 -0.912 0.000 1.365 459 M HN 0.057 nan 8.290 nan 0.000 0.406 460 L N -0.147 120.926 121.223 -0.250 0.000 2.156 460 L HA -0.088 4.252 4.340 0.000 0.000 0.208 460 L C 2.316 179.168 176.870 -0.029 0.000 1.095 460 L CA 1.643 56.439 54.840 -0.072 0.000 0.770 460 L CB -1.057 40.924 42.059 -0.130 0.000 0.914 460 L HN 0.289 nan 8.230 nan 0.000 0.439 461 R N -0.394 120.073 120.500 -0.055 0.000 2.189 461 R HA -0.081 4.259 4.340 0.000 0.000 0.223 461 R C 0.082 176.376 176.300 -0.010 0.000 1.092 461 R CA 0.447 56.528 56.100 -0.032 0.000 0.989 461 R CB 0.030 30.316 30.300 -0.022 0.000 0.876 461 R HN 0.385 nan 8.270 nan 0.000 0.457 462 D N 0.000 120.399 120.400 -0.002 0.000 6.856 462 D HA 0.000 4.640 4.640 0.000 0.000 0.175 462 D CA 0.000 54.009 54.000 0.015 0.000 0.868 462 D CB 0.000 40.804 40.800 0.007 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683