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 2zdg_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PXXXXXXXXX XXXAELLIPA PLXXXTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.615 32.600 0.026 0.000 1.302 2 R N 3.347 123.873 120.500 0.044 0.000 2.532 2 R HA 0.908 5.248 4.340 0.000 0.000 0.297 2 R C -1.830 174.590 176.300 0.201 0.000 0.984 2 R CA -0.691 55.482 56.100 0.123 0.000 0.884 2 R CB 1.984 32.320 30.300 0.060 0.000 1.182 2 R HN 0.615 nan 8.270 nan 0.000 0.442 3 V N 4.772 124.826 119.914 0.235 0.000 2.581 3 V HA 0.456 4.576 4.120 0.000 0.000 0.303 3 V C -0.609 175.576 176.094 0.151 0.000 1.041 3 V CA -0.960 61.457 62.300 0.195 0.000 0.907 3 V CB 1.880 33.789 31.823 0.144 0.000 0.994 3 V HN 0.535 nan 8.190 nan 0.000 0.442 4 L N 5.346 126.542 121.223 -0.044 0.000 2.319 4 L HA 0.593 4.933 4.340 0.000 0.000 0.281 4 L C -1.007 175.801 176.870 -0.105 0.000 1.005 4 L CA -0.476 54.129 54.840 -0.392 0.000 0.828 4 L CB 1.321 42.824 42.059 -0.927 0.000 1.227 4 L HN 0.649 nan 8.230 nan 0.000 0.415 5 L N 6.512 127.672 121.223 -0.105 0.000 2.289 5 L HA 0.552 4.892 4.340 0.000 0.000 0.285 5 L C -0.611 176.192 176.870 -0.112 0.000 1.049 5 L CA 0.007 54.786 54.840 -0.101 0.000 0.804 5 L CB 1.227 43.187 42.059 -0.165 0.000 1.195 5 L HN 0.491 nan 8.230 nan 0.000 0.428 6 I N 5.316 125.830 120.570 -0.093 0.000 2.406 6 I HA 0.736 4.906 4.170 0.000 0.000 0.290 6 I C -0.152 175.849 176.117 -0.193 0.000 0.999 6 I CA -0.422 60.806 61.300 -0.119 0.000 1.124 6 I CB 1.575 39.555 38.000 -0.033 0.000 1.289 6 I HN 0.798 nan 8.210 nan 0.000 0.441 7 A N 4.003 126.688 122.820 -0.225 0.000 2.530 7 A HA 0.987 5.307 4.320 0.000 0.000 0.288 7 A C 0.164 177.603 177.584 -0.242 0.000 1.172 7 A CA 0.033 51.931 52.037 -0.232 0.000 0.733 7 A CB 1.484 20.358 19.000 -0.210 0.000 1.320 7 A HN 1.031 nan 8.150 nan 0.000 0.419 8 G N -0.746 107.900 108.800 -0.257 0.000 3.035 8 G HA2 0.557 4.517 3.960 0.000 0.000 0.242 8 G HA3 0.557 4.517 3.960 0.000 0.000 0.242 8 G C 1.380 176.273 174.900 -0.013 0.000 1.524 8 G CA 1.007 45.926 45.100 -0.301 0.000 1.038 8 G HN 3.160 nan 8.290 nan 0.000 0.561 9 G N -2.531 106.320 108.800 0.085 0.000 2.612 9 G HA2 0.358 4.319 3.960 0.000 0.000 0.686 9 G HA3 0.358 4.319 3.960 0.000 0.000 0.686 9 G C 0.724 175.687 174.900 0.105 0.000 1.274 9 G CA 1.182 46.314 45.100 0.053 0.000 0.849 9 G HN 2.288 nan 8.290 nan 0.000 0.595 10 V N -1.807 118.129 119.914 0.037 0.000 3.542 10 V HA 0.587 4.707 4.120 0.000 0.000 0.296 10 V C 1.343 177.480 176.094 0.071 0.000 1.364 10 V CA 1.273 63.577 62.300 0.006 0.000 1.118 10 V CB -0.292 31.507 31.823 -0.039 0.000 0.972 10 V HN 1.991 nan 8.190 nan 0.000 0.430 11 S N 0.249 116.015 115.700 0.110 0.000 2.669 11 S HA 0.529 4.999 4.470 0.000 0.000 0.270 11 S C -1.455 173.199 174.600 0.091 0.000 1.225 11 S CA -0.897 57.365 58.200 0.103 0.000 0.991 11 S CB 0.959 64.220 63.200 0.103 0.000 0.987 11 S HN 0.206 nan 8.310 nan 0.000 0.552 12 P HA -0.005 nan 4.420 nan 0.000 0.223 12 P C 0.271 177.616 177.300 0.075 0.000 1.144 12 P CA 0.972 64.102 63.100 0.049 0.000 0.783 12 P CB -0.063 31.642 31.700 0.008 0.000 0.771 13 E N -2.378 117.880 120.200 0.096 0.000 2.368 13 E HA -0.052 4.298 4.350 0.000 0.000 0.188 13 E C 1.266 177.959 176.600 0.154 0.000 1.061 13 E CA -0.115 56.350 56.400 0.108 0.000 0.933 13 E CB -0.433 29.335 29.700 0.113 0.000 1.091 13 E HN 0.385 nan 8.360 nan 0.000 0.458 14 H N 1.601 120.700 119.070 0.049 0.000 2.289 14 H HA -0.191 4.365 4.556 0.000 0.000 0.296 14 H C 1.561 176.908 175.328 0.032 0.000 1.091 14 H CA 2.306 58.370 56.048 0.027 0.000 1.274 14 H CB 0.369 30.133 29.762 0.004 0.000 1.364 14 H HN 0.052 nan 8.280 nan 0.000 0.490 15 E N -0.275 119.963 120.200 0.065 0.000 2.058 15 E HA -0.138 4.212 4.350 0.000 0.000 0.194 15 E C 2.531 179.117 176.600 -0.024 0.000 0.997 15 E CA 1.503 57.901 56.400 -0.003 0.000 0.801 15 E CB -0.377 29.357 29.700 0.056 0.000 0.746 15 E HN 0.322 nan 8.360 nan 0.000 0.450 16 V N 0.513 120.439 119.914 0.020 0.000 2.490 16 V HA -0.258 3.862 4.120 0.000 0.000 0.250 16 V C 2.338 178.488 176.094 0.093 0.000 1.061 16 V CA 1.826 64.144 62.300 0.030 0.000 1.064 16 V CB -0.607 31.209 31.823 -0.013 0.000 0.670 16 V HN 0.302 nan 8.190 nan 0.000 0.461 17 S N -0.240 115.540 115.700 0.133 0.000 2.368 17 S HA -0.137 4.333 4.470 0.000 0.000 0.225 17 S C 1.940 176.518 174.600 -0.036 0.000 1.030 17 S CA 1.542 59.810 58.200 0.114 0.000 0.999 17 S CB -0.290 62.894 63.200 -0.025 0.000 0.844 17 S HN 0.541 nan 8.310 nan 0.000 0.459 18 L N 0.860 122.007 121.223 -0.126 0.000 2.083 18 L HA -0.079 4.261 4.340 0.000 0.000 0.209 18 L C 2.491 179.334 176.870 -0.045 0.000 1.083 18 L CA 1.041 55.804 54.840 -0.129 0.000 0.752 18 L CB -0.607 41.347 42.059 -0.175 0.000 0.899 18 L HN 0.353 nan 8.230 nan 0.000 0.433 19 L N -0.903 120.316 121.223 -0.008 0.000 2.046 19 L HA -0.197 4.143 4.340 0.000 0.000 0.208 19 L C 2.761 179.671 176.870 0.067 0.000 1.077 19 L CA 1.089 55.944 54.840 0.026 0.000 0.747 19 L CB -0.438 41.638 42.059 0.028 0.000 0.896 19 L HN 0.200 nan 8.230 nan 0.000 0.432 20 S N -0.076 115.686 115.700 0.104 0.000 2.359 20 S HA -0.216 4.254 4.470 0.000 0.000 0.224 20 S C 2.202 176.858 174.600 0.093 0.000 1.035 20 S CA 1.262 59.566 58.200 0.173 0.000 1.018 20 S CB -0.358 62.992 63.200 0.251 0.000 0.876 20 S HN 0.514 nan 8.310 nan 0.000 0.448 21 A N 1.359 124.173 122.820 -0.010 0.000 1.892 21 A HA -0.234 4.086 4.320 0.000 0.000 0.218 21 A C 2.051 179.631 177.584 -0.008 0.000 1.188 21 A CA 2.015 54.008 52.037 -0.074 0.000 0.631 21 A CB -0.750 18.184 19.000 -0.110 0.000 0.822 21 A HN 0.624 nan 8.150 nan 0.000 0.447 22 E N -0.744 119.469 120.200 0.022 0.000 2.051 22 E HA -0.113 4.237 4.350 0.000 0.000 0.192 22 E C 2.077 178.743 176.600 0.111 0.000 0.991 22 E CA 1.176 57.602 56.400 0.044 0.000 0.799 22 E CB -0.479 29.241 29.700 0.033 0.000 0.748 22 E HN 0.504 nan 8.360 nan 0.000 0.449 23 G N 0.372 109.276 108.800 0.173 0.000 2.418 23 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 23 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 23 G C 1.660 176.866 174.900 0.509 0.000 1.158 23 G CA 0.951 46.244 45.100 0.321 0.000 0.771 23 G HN 0.237 nan 8.290 nan 0.000 0.545 24 V N 1.028 121.152 119.914 0.349 0.000 2.255 24 V HA -0.164 3.956 4.120 0.000 0.000 0.247 24 V C 2.926 179.116 176.094 0.160 0.000 1.051 24 V CA 1.631 64.066 62.300 0.226 0.000 1.018 24 V CB -0.532 31.260 31.823 -0.051 0.000 0.641 24 V HN 0.342 nan 8.190 nan 0.000 0.445 25 L N -0.719 120.553 121.223 0.082 0.000 2.127 25 L HA -0.209 4.131 4.340 0.000 0.000 0.211 25 L C 2.706 179.595 176.870 0.032 0.000 1.089 25 L CA 1.529 56.396 54.840 0.045 0.000 0.757 25 L CB -0.462 41.605 42.059 0.013 0.000 0.899 25 L HN 0.226 nan 8.230 nan 0.000 0.434 26 R N -0.937 119.578 120.500 0.026 0.000 2.148 26 R HA -0.119 4.221 4.340 0.000 0.000 0.227 26 R C 1.496 177.568 176.300 -0.380 0.000 1.103 26 R CA 1.296 57.281 56.100 -0.192 0.000 0.983 26 R CB -0.036 30.095 30.300 -0.281 0.000 0.874 26 R HN 0.474 nan 8.270 nan 0.000 0.451 27 H N -2.101 117.068 119.070 0.164 0.000 2.986 27 H HA 0.247 4.804 4.556 0.000 0.000 0.267 27 H C -0.226 175.140 175.328 0.062 0.000 1.072 27 H CA -0.477 55.662 56.048 0.151 0.000 1.202 27 H CB 0.584 30.544 29.762 0.331 0.000 1.535 27 H HN 0.047 nan 8.280 nan 0.000 0.522 28 I N 5.117 125.772 120.570 0.141 0.000 2.668 28 I HA 0.022 4.192 4.170 0.000 0.000 0.285 28 I C -1.646 174.478 176.117 0.012 0.000 1.168 28 I CA -1.671 59.693 61.300 0.106 0.000 1.424 28 I CB 0.994 39.094 38.000 0.166 0.000 1.377 28 I HN 0.034 nan 8.210 nan 0.000 0.560 29 P HA 0.203 nan 4.420 nan 0.000 0.235 29 P C -1.180 175.686 177.300 -0.722 0.000 1.725 29 P CA 0.199 63.056 63.100 -0.406 0.000 0.894 29 P CB -0.492 30.914 31.700 -0.491 0.000 1.704 30 F N -0.366 119.618 119.950 0.056 0.000 2.641 30 F HA 0.403 4.930 4.527 0.000 0.000 0.308 30 F C -2.445 173.392 175.800 0.061 0.000 1.105 30 F CA -2.758 55.276 58.000 0.058 0.000 0.964 30 F CB 1.069 40.110 39.000 0.069 0.000 1.294 30 F HN -0.265 nan 8.300 nan 0.000 0.442 31 P HA 0.235 nan 4.420 nan 0.000 0.267 31 P C -0.898 176.520 177.300 0.197 0.000 1.209 31 P CA 0.237 63.439 63.100 0.170 0.000 0.763 31 P CB 0.564 32.345 31.700 0.136 0.000 0.816 32 T N 2.482 117.131 114.554 0.159 0.000 2.952 32 T HA 0.338 4.688 4.350 0.000 0.000 0.305 32 T C -0.939 173.830 174.700 0.115 0.000 1.064 32 T CA -0.665 61.527 62.100 0.154 0.000 1.008 32 T CB 1.384 70.332 68.868 0.133 0.000 1.078 32 T HN 0.195 nan 8.240 nan 0.000 0.459 33 D N 1.580 122.050 120.400 0.117 0.000 2.228 33 D HA 0.580 5.220 4.640 0.000 0.000 0.247 33 D C -0.650 175.627 176.300 -0.038 0.000 0.995 33 D CA -0.542 53.498 54.000 0.067 0.000 0.903 33 D CB 2.239 43.139 40.800 0.166 0.000 1.205 33 D HN 0.272 nan 8.370 nan 0.000 0.459 34 L N 0.758 121.959 121.223 -0.036 0.000 2.331 34 L HA 0.734 5.075 4.340 0.000 0.000 0.275 34 L C -1.234 175.597 176.870 -0.064 0.000 1.022 34 L CA -0.525 54.276 54.840 -0.065 0.000 0.812 34 L CB 1.594 43.624 42.059 -0.049 0.000 1.257 34 L HN 0.445 nan 8.230 nan 0.000 0.435 35 A N 4.104 126.878 122.820 -0.076 0.000 2.422 35 A HA 0.790 5.110 4.320 0.000 0.000 0.302 35 A C -1.686 175.836 177.584 -0.103 0.000 1.041 35 A CA -0.524 51.494 52.037 -0.031 0.000 0.708 35 A CB 1.686 20.707 19.000 0.035 0.000 1.257 35 A HN 0.514 nan 8.150 nan 0.000 0.414 36 V N 3.361 123.221 119.914 -0.089 0.000 2.540 36 V HA 0.407 4.527 4.120 0.000 0.000 0.302 36 V C -0.402 175.528 176.094 -0.274 0.000 1.035 36 V CA -0.311 61.888 62.300 -0.168 0.000 0.873 36 V CB 1.776 33.557 31.823 -0.070 0.000 0.992 36 V HN 0.770 nan 8.190 nan 0.000 0.428 37 I N 4.476 124.792 120.570 -0.423 0.000 2.297 37 I HA 0.485 4.655 4.170 0.000 0.000 0.291 37 I C 0.913 176.954 176.117 -0.126 0.000 1.033 37 I CA -0.160 60.832 61.300 -0.515 0.000 1.253 37 I CB 1.299 38.898 38.000 -0.668 0.000 1.396 37 I HN 0.747 nan 8.210 nan 0.000 0.476 38 A N 5.545 128.328 122.820 -0.063 0.000 2.366 38 A HA 0.110 4.430 4.320 0.000 0.000 0.250 38 A C 1.062 178.555 177.584 -0.151 0.000 1.099 38 A CA -0.004 52.015 52.037 -0.030 0.000 0.794 38 A CB 0.279 19.271 19.000 -0.013 0.000 1.056 38 A HN 0.812 nan 8.150 nan 0.000 0.499 39 Q N -0.330 119.275 119.800 -0.325 0.000 2.364 39 Q HA -0.130 4.210 4.340 0.000 0.000 0.207 39 Q C 0.226 176.133 176.000 -0.155 0.000 0.970 39 Q CA 1.274 56.881 55.803 -0.326 0.000 0.888 39 Q CB -0.058 28.435 28.738 -0.409 0.000 0.951 39 Q HN 0.882 nan 8.270 nan 0.000 0.469 40 D N -1.614 118.723 120.400 -0.105 0.000 2.342 40 D HA 0.093 4.733 4.640 0.000 0.000 0.221 40 D C 1.121 177.396 176.300 -0.041 0.000 1.101 40 D CA 0.586 54.551 54.000 -0.060 0.000 0.837 40 D CB 0.211 40.989 40.800 -0.035 0.000 0.938 40 D HN 0.203 nan 8.370 nan 0.000 0.508 41 G N 0.391 109.157 108.800 -0.057 0.000 2.304 41 G HA2 -0.358 3.602 3.960 0.000 0.000 0.252 41 G HA3 -0.358 3.602 3.960 0.000 0.000 0.252 41 G C 0.468 175.446 174.900 0.131 0.000 1.014 41 G CA 0.019 45.103 45.100 -0.027 0.000 0.619 41 G HN 0.481 nan 8.290 nan 0.000 0.525 42 R N -0.394 120.186 120.500 0.134 0.000 2.490 42 R HA 0.468 4.808 4.340 0.000 0.000 0.280 42 R C -0.148 176.341 176.300 0.315 0.000 1.077 42 R CA -0.364 55.891 56.100 0.259 0.000 1.065 42 R CB 0.360 30.746 30.300 0.143 0.000 1.003 42 R HN 0.278 nan 8.270 nan 0.000 0.470 43 W N 3.132 124.502 121.300 0.118 0.000 2.375 43 W HA 0.412 5.072 4.660 0.000 0.000 0.336 43 W C -0.432 176.193 176.519 0.176 0.000 1.160 43 W CA -0.374 57.045 57.345 0.124 0.000 1.266 43 W CB 0.457 29.979 29.460 0.103 0.000 1.195 43 W HN 0.225 nan 8.180 nan 0.000 0.599 44 L N 3.595 125.006 121.223 0.313 0.000 2.356 44 L HA 0.536 4.876 4.340 0.000 0.000 0.277 44 L C -0.306 176.670 176.870 0.178 0.000 0.996 44 L CA -0.780 54.199 54.840 0.232 0.000 0.822 44 L CB 0.914 43.046 42.059 0.121 0.000 1.256 44 L HN 0.213 nan 8.230 nan 0.000 0.413 45 L N 1.213 122.531 121.223 0.158 0.000 2.298 45 L HA 0.760 5.100 4.340 0.000 0.000 0.268 45 L C 1.249 178.151 176.870 0.053 0.000 1.010 45 L CA -0.487 54.391 54.840 0.064 0.000 0.812 45 L CB 1.412 43.453 42.059 -0.029 0.000 1.331 45 L HN 0.793 nan 8.230 nan 0.000 0.450 46 G N 0.352 109.168 108.800 0.027 0.000 2.661 46 G HA2 -0.322 3.638 3.960 0.000 0.000 0.327 46 G HA3 -0.322 3.638 3.960 0.000 0.000 0.327 46 G C 0.814 175.733 174.900 0.031 0.000 1.320 46 G CA 0.623 45.741 45.100 0.030 0.000 0.997 46 G HN 0.714 nan 8.290 nan 0.000 0.543 47 E N 0.434 120.653 120.200 0.032 0.000 2.118 47 E HA -0.104 4.246 4.350 0.000 0.000 0.195 47 E C 2.539 179.157 176.600 0.030 0.000 0.992 47 E CA 1.541 57.958 56.400 0.027 0.000 0.804 47 E CB -0.308 29.407 29.700 0.025 0.000 0.741 47 E HN 0.650 nan 8.360 nan 0.000 0.458 48 K N 0.354 120.780 120.400 0.043 0.000 2.209 48 K HA -0.061 4.259 4.320 0.000 0.000 0.204 48 K C 1.967 178.593 176.600 0.043 0.000 1.048 48 K CA 1.045 57.360 56.287 0.047 0.000 0.940 48 K CB -0.002 32.539 32.500 0.069 0.000 0.729 48 K HN 0.077 nan 8.250 nan 0.000 0.451 49 A N 0.763 123.606 122.820 0.039 0.000 1.878 49 A HA -0.023 4.297 4.320 0.000 0.000 0.213 49 A C 1.987 179.576 177.584 0.007 0.000 1.192 49 A CA 0.719 52.769 52.037 0.022 0.000 0.619 49 A CB -0.438 18.570 19.000 0.014 0.000 0.837 49 A HN 0.122 nan 8.150 nan 0.000 0.446 50 L N -0.307 120.921 121.223 0.008 0.000 2.042 50 L HA -0.194 4.146 4.340 0.000 0.000 0.210 50 L C 2.753 179.626 176.870 0.006 0.000 1.076 50 L CA 1.825 56.667 54.840 0.003 0.000 0.749 50 L CB -1.033 41.031 42.059 0.008 0.000 0.893 50 L HN 0.346 nan 8.230 nan 0.000 0.432 51 T N -0.067 114.494 114.554 0.012 0.000 2.708 51 T HA -0.168 4.182 4.350 0.000 0.000 0.266 51 T C 2.031 176.739 174.700 0.013 0.000 1.037 51 T CA 1.354 63.462 62.100 0.013 0.000 1.146 51 T CB -0.253 68.625 68.868 0.018 0.000 0.865 51 T HN 0.460 nan 8.240 nan 0.000 0.435 52 A N 1.205 124.035 122.820 0.017 0.000 1.978 52 A HA -0.049 4.271 4.320 0.000 0.000 0.220 52 A C 2.225 179.812 177.584 0.006 0.000 1.170 52 A CA 1.278 53.327 52.037 0.021 0.000 0.636 52 A CB -0.786 18.232 19.000 0.030 0.000 0.810 52 A HN 0.407 nan 8.150 nan 0.000 0.448 53 L N -0.426 120.792 121.223 -0.008 0.000 2.046 53 L HA -0.105 4.235 4.340 0.000 0.000 0.208 53 L C 2.017 178.882 176.870 -0.010 0.000 1.077 53 L CA 2.385 57.212 54.840 -0.022 0.000 0.747 53 L CB -0.536 41.508 42.059 -0.026 0.000 0.896 53 L HN 0.318 nan 8.230 nan 0.000 0.432 54 E N -0.344 119.856 120.200 -0.001 0.000 2.208 54 E HA 0.006 4.356 4.350 0.000 0.000 0.193 54 E C 2.127 178.731 176.600 0.007 0.000 0.988 54 E CA 1.050 57.452 56.400 0.003 0.000 0.828 54 E CB -0.381 29.322 29.700 0.005 0.000 0.763 54 E HN 0.571 nan 8.360 nan 0.000 0.478 55 A N 0.022 122.849 122.820 0.011 0.000 2.119 55 A HA 0.018 4.338 4.320 0.000 0.000 0.216 55 A C 1.101 178.697 177.584 0.020 0.000 1.152 55 A CA 1.093 53.140 52.037 0.018 0.000 0.708 55 A CB -0.087 18.927 19.000 0.024 0.000 0.805 55 A HN 0.113 nan 8.150 nan 0.000 0.460 56 K N -3.478 116.929 120.400 0.012 0.000 3.529 56 K HA -0.192 4.128 4.320 0.000 0.000 0.313 56 K C -0.065 176.550 176.600 0.025 0.000 1.316 56 K CA 1.197 57.488 56.287 0.006 0.000 0.988 56 K CB -2.085 30.422 32.500 0.011 0.000 1.252 56 K HN 1.440 nan 8.250 nan 0.000 0.438 57 A N -1.116 121.742 122.820 0.063 0.000 2.566 57 A HA 0.812 5.132 4.320 0.000 0.000 0.297 57 A C -1.337 176.351 177.584 0.173 0.000 1.059 57 A CA -0.171 51.963 52.037 0.160 0.000 0.691 57 A CB 1.825 20.902 19.000 0.128 0.000 1.282 57 A HN 0.683 nan 8.150 nan 0.000 0.401 58 A N 3.250 126.262 122.820 0.320 0.000 2.893 58 A HA 0.702 5.022 4.320 0.000 0.000 0.333 58 A C -2.290 175.293 177.584 -0.003 0.000 1.152 58 A CA -1.324 50.803 52.037 0.150 0.000 0.782 58 A CB 0.347 19.450 19.000 0.171 0.000 1.108 58 A HN 0.384 nan 8.150 nan 0.000 0.469 59 P HA -0.126 nan 4.420 nan 0.000 0.215 59 P C 0.468 177.725 177.300 -0.072 0.000 1.153 59 P CA 1.417 64.466 63.100 -0.084 0.000 0.853 59 P CB 0.391 32.068 31.700 -0.038 0.000 0.788 60 E N -1.147 119.034 120.200 -0.031 0.000 2.238 60 E HA 0.587 4.937 4.350 0.000 0.000 0.267 60 E C -0.206 176.396 176.600 0.005 0.000 0.887 60 E CA -0.834 55.556 56.400 -0.017 0.000 0.769 60 E CB 1.232 30.925 29.700 -0.011 0.000 1.187 60 E HN -0.037 nan 8.360 nan 0.000 0.416 61 G N 1.536 110.347 108.800 0.019 0.000 2.667 61 G HA2 0.242 4.202 3.960 0.000 0.000 0.310 61 G HA3 0.242 4.202 3.960 0.000 0.000 0.310 61 G C 0.022 174.946 174.900 0.040 0.000 1.259 61 G CA -0.286 44.848 45.100 0.056 0.000 1.019 61 G HN 0.633 nan 8.290 nan 0.000 0.496 62 E N -1.436 118.796 120.200 0.053 0.000 2.152 62 E HA 0.072 4.422 4.350 0.000 0.000 0.195 62 E C -0.174 176.305 176.600 -0.201 0.000 0.934 62 E CA 0.023 56.356 56.400 -0.111 0.000 0.869 62 E CB 0.252 29.825 29.700 -0.212 0.000 0.842 62 E HN 0.578 nan 8.360 nan 0.000 0.472 63 H N 1.540 120.673 119.070 0.105 0.000 2.458 63 H HA 0.307 4.863 4.556 0.000 0.000 0.330 63 H C -2.255 173.132 175.328 0.099 0.000 1.111 63 H CA -2.368 53.724 56.048 0.072 0.000 1.245 63 H CB 1.163 30.942 29.762 0.029 0.000 1.456 63 H HN 0.125 nan 8.280 nan 0.000 0.488 64 P HA 0.019 nan 4.420 nan 0.000 0.278 64 P C -0.469 176.868 177.300 0.062 0.000 1.238 64 P CA -0.430 62.745 63.100 0.124 0.000 0.794 64 P CB 0.871 32.610 31.700 0.066 0.000 0.955 65 F N 5.250 125.168 119.950 -0.052 0.000 2.529 65 F HA 0.259 4.786 4.527 0.000 0.000 0.365 65 F C -1.513 174.175 175.800 -0.187 0.000 1.102 65 F CA -1.374 56.495 58.000 -0.218 0.000 1.271 65 F CB 0.056 38.985 39.000 -0.119 0.000 1.120 65 F HN 0.246 nan 8.300 nan 0.000 0.579 66 P HA 0.306 nan 4.420 nan 0.000 0.282 66 P C -2.932 173.955 177.300 -0.688 0.000 1.249 66 P CA -1.408 60.824 63.100 -1.446 0.000 0.806 66 P CB 0.912 31.930 31.700 -1.137 0.000 0.984 67 P HA 0.231 nan 4.420 nan 0.000 0.279 67 P C -2.322 174.784 177.300 -0.323 0.000 1.252 67 P CA -1.867 60.926 63.100 -0.512 0.000 0.811 67 P CB -0.120 31.144 31.700 -0.726 0.000 1.035 68 P HA 0.266 nan 4.420 nan 0.000 0.225 68 P C -0.494 176.638 177.300 -0.280 0.000 1.813 68 P CA -0.006 62.971 63.100 -0.205 0.000 1.013 68 P CB -0.103 31.511 31.700 -0.142 0.000 1.961 69 L N 1.061 122.072 121.223 -0.354 0.000 2.309 69 L HA 0.314 4.655 4.340 0.000 0.000 0.282 69 L C 0.566 177.141 176.870 -0.491 0.000 1.036 69 L CA -0.391 54.113 54.840 -0.560 0.000 0.806 69 L CB 1.375 42.808 42.059 -1.042 0.000 1.220 69 L HN -0.042 nan 8.230 nan 0.000 0.429 70 S N 4.169 119.708 115.700 -0.267 0.000 4.175 70 S HA 0.002 4.472 4.470 0.000 0.000 0.193 70 S C 0.586 175.184 174.600 -0.004 0.000 1.373 70 S CA -0.312 57.829 58.200 -0.099 0.000 0.908 70 S CB -0.460 62.693 63.200 -0.078 0.000 1.547 70 S HN 0.668 nan 8.310 nan 0.000 0.440 71 W N 2.216 123.588 121.300 0.120 0.000 2.331 71 W HA -0.215 4.445 4.660 0.000 0.000 0.291 71 W C 2.366 178.953 176.519 0.113 0.000 1.214 71 W CA 0.975 58.433 57.345 0.188 0.000 1.228 71 W CB -0.247 29.247 29.460 0.057 0.000 1.135 71 W HN 0.573 nan 8.180 nan 0.000 0.537 72 E N 2.147 122.476 120.200 0.215 0.000 2.267 72 E HA -0.245 4.106 4.350 0.000 0.000 0.197 72 E C 1.528 178.105 176.600 -0.040 0.000 0.998 72 E CA 1.647 58.094 56.400 0.079 0.000 0.830 72 E CB -0.885 28.837 29.700 0.035 0.000 0.751 72 E HN 0.553 nan 8.360 nan 0.000 0.491 73 R N -0.330 120.048 120.500 -0.205 0.000 2.449 73 R HA 0.167 4.507 4.340 0.000 0.000 0.262 73 R C -0.714 175.149 176.300 -0.728 0.000 1.006 73 R CA -0.268 55.576 56.100 -0.427 0.000 1.104 73 R CB -0.293 29.718 30.300 -0.483 0.000 1.206 73 R HN -0.031 nan 8.270 nan 0.000 0.538 74 Y N 0.061 120.396 120.300 0.059 0.000 2.406 74 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 74 Y C 0.262 176.197 175.900 0.057 0.000 0.975 74 Y CA -1.432 56.707 58.100 0.066 0.000 1.056 74 Y CB 2.114 40.642 38.460 0.112 0.000 1.210 74 Y HN -0.041 nan 8.280 nan 0.000 0.448 75 D N 1.328 121.817 120.400 0.148 0.000 2.271 75 D HA 0.098 4.739 4.640 0.000 0.000 0.206 75 D C -0.283 176.053 176.300 0.059 0.000 0.967 75 D CA 1.066 55.104 54.000 0.064 0.000 0.867 75 D CB 1.000 41.797 40.800 -0.005 0.000 0.960 75 D HN 0.160 nan 8.370 nan 0.000 0.509 76 V N 1.191 121.158 119.914 0.089 0.000 2.851 76 V HA 0.247 4.367 4.120 0.000 0.000 0.307 76 V C -0.357 175.816 176.094 0.131 0.000 1.129 76 V CA -0.872 61.464 62.300 0.060 0.000 0.932 76 V CB 3.025 34.815 31.823 -0.055 0.000 1.024 76 V HN -0.262 nan 8.190 nan 0.000 0.426 77 V N 4.047 124.060 119.914 0.165 0.000 2.483 77 V HA 0.498 4.618 4.120 0.000 0.000 0.295 77 V C -0.674 175.557 176.094 0.229 0.000 1.035 77 V CA -0.439 61.986 62.300 0.207 0.000 0.896 77 V CB 1.849 33.831 31.823 0.265 0.000 0.986 77 V HN 0.792 nan 8.190 nan 0.000 0.447 78 F N 6.837 126.805 119.950 0.030 0.000 2.443 78 F HA 0.464 4.992 4.527 0.000 0.000 0.369 78 F C -2.233 173.542 175.800 -0.042 0.000 1.090 78 F CA -2.679 55.310 58.000 -0.018 0.000 1.129 78 F CB 1.897 40.858 39.000 -0.065 0.000 1.367 78 F HN 0.358 nan 8.300 nan 0.000 0.465 79 P HA 0.023 nan 4.420 nan 0.000 0.273 79 P C -0.461 176.903 177.300 0.106 0.000 1.319 79 P CA -0.184 63.008 63.100 0.154 0.000 0.885 79 P CB 1.522 33.273 31.700 0.085 0.000 1.015 80 L N 5.467 126.632 121.223 -0.097 0.000 3.029 80 L HA 0.309 4.649 4.340 0.000 0.000 0.231 80 L C -0.332 176.307 176.870 -0.385 0.000 1.327 80 L CA -0.195 54.488 54.840 -0.261 0.000 1.166 80 L CB -0.613 41.182 42.059 -0.439 0.000 1.532 80 L HN 0.250 nan 8.230 nan 0.000 0.473 81 L N 0.450 121.476 121.223 -0.328 0.000 2.325 81 L HA 0.516 4.856 4.340 0.000 0.000 0.278 81 L C -0.314 176.328 176.870 -0.380 0.000 1.023 81 L CA -0.739 53.904 54.840 -0.328 0.000 0.811 81 L CB 1.354 43.329 42.059 -0.141 0.000 1.249 81 L HN 0.173 nan 8.230 nan 0.000 0.431 82 H N 1.225 120.302 119.070 0.012 0.000 2.529 82 H HA 0.583 5.139 4.556 0.000 0.000 0.348 82 H C 0.487 175.822 175.328 0.011 0.000 1.152 82 H CA 0.177 56.234 56.048 0.016 0.000 1.202 82 H CB 1.910 31.685 29.762 0.021 0.000 1.562 82 H HN 0.790 nan 8.280 nan 0.000 0.515 83 G N 1.917 110.789 108.800 0.120 0.000 2.528 83 G HA2 -0.298 3.662 3.960 0.000 0.000 0.262 83 G HA3 -0.298 3.662 3.960 0.000 0.000 0.262 83 G C 0.184 175.078 174.900 -0.010 0.000 1.200 83 G CA -0.032 45.093 45.100 0.041 0.000 0.951 83 G HN 0.745 nan 8.290 nan 0.000 0.566 84 R N -0.242 120.234 120.500 -0.040 0.000 2.585 84 R HA 0.295 4.636 4.340 0.000 0.000 0.275 84 R C 0.405 176.672 176.300 -0.055 0.000 1.018 84 R CA 0.627 56.632 56.100 -0.158 0.000 1.072 84 R CB -0.496 29.715 30.300 -0.148 0.000 0.953 84 R HN 1.050 nan 8.270 nan 0.000 0.419 85 F N 1.585 121.516 119.950 -0.033 0.000 3.093 85 F HA -0.260 4.267 4.527 0.000 0.000 0.287 85 F C 0.954 176.717 175.800 -0.061 0.000 0.882 85 F CA 1.262 59.227 58.000 -0.060 0.000 1.063 85 F CB -1.668 37.285 39.000 -0.078 0.000 1.097 85 F HN 0.842 nan 8.300 nan 0.000 0.604 86 G N -0.116 108.709 108.800 0.042 0.000 2.641 86 G HA2 0.206 4.167 3.960 0.000 0.000 0.211 86 G HA3 0.206 4.167 3.960 0.000 0.000 0.211 86 G C 0.770 175.664 174.900 -0.010 0.000 1.338 86 G CA 0.282 45.386 45.100 0.008 0.000 0.572 86 G HN 0.436 nan 8.290 nan 0.000 1.023 87 E N 1.095 121.288 120.200 -0.011 0.000 2.789 87 E HA 0.164 4.514 4.350 0.000 0.000 0.208 87 E C -0.220 176.362 176.600 -0.030 0.000 0.988 87 E CA 0.093 56.488 56.400 -0.008 0.000 1.092 87 E CB 0.541 30.253 29.700 0.020 0.000 1.066 87 E HN 0.407 nan 8.360 nan 0.000 0.465 88 D N -0.088 120.278 120.400 -0.056 0.000 2.395 88 D HA 0.162 4.802 4.640 0.000 0.000 0.213 88 D C 1.345 177.608 176.300 -0.062 0.000 1.110 88 D CA 0.317 54.269 54.000 -0.080 0.000 0.835 88 D CB 0.595 41.305 40.800 -0.151 0.000 0.965 88 D HN 0.290 nan 8.370 nan 0.000 0.505 89 G N 0.288 109.067 108.800 -0.035 0.000 2.234 89 G HA2 -0.400 3.560 3.960 0.000 0.000 0.235 89 G HA3 -0.400 3.560 3.960 0.000 0.000 0.235 89 G C 1.341 176.239 174.900 -0.003 0.000 0.997 89 G CA 0.947 46.037 45.100 -0.017 0.000 0.623 89 G HN 0.574 nan 8.290 nan 0.000 0.514 90 T N -0.715 113.840 114.554 0.001 0.000 2.643 90 T HA -0.025 4.325 4.350 0.000 0.000 0.264 90 T C 2.251 176.997 174.700 0.078 0.000 1.045 90 T CA 2.523 64.656 62.100 0.055 0.000 1.155 90 T CB -0.692 68.250 68.868 0.122 0.000 0.863 90 T HN 0.663 nan 8.240 nan 0.000 0.420 91 V N 2.028 121.984 119.914 0.071 0.000 2.407 91 V HA -0.176 3.944 4.120 0.000 0.000 0.248 91 V C 2.958 179.064 176.094 0.019 0.000 1.055 91 V CA 1.957 64.321 62.300 0.106 0.000 1.049 91 V CB -1.029 30.846 31.823 0.087 0.000 0.662 91 V HN 0.423 nan 8.190 nan 0.000 0.455 92 Q N 0.584 120.319 119.800 -0.109 0.000 2.084 92 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 92 Q C 2.383 178.277 176.000 -0.176 0.000 0.978 92 Q CA 1.837 57.444 55.803 -0.328 0.000 0.844 92 Q CB -0.982 27.657 28.738 -0.165 0.000 0.898 92 Q HN 0.645 nan 8.270 nan 0.000 0.426 93 G N -0.263 108.528 108.800 -0.014 0.000 2.418 93 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 93 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 93 G C 1.233 176.170 174.900 0.062 0.000 1.158 93 G CA 0.647 45.769 45.100 0.037 0.000 0.771 93 G HN 0.381 nan 8.290 nan 0.000 0.545 94 F N 1.386 121.315 119.950 -0.035 0.000 2.134 94 F HA 0.014 4.541 4.527 0.000 0.000 0.299 94 F C 2.401 178.113 175.800 -0.147 0.000 1.097 94 F CA 1.137 59.129 58.000 -0.013 0.000 1.264 94 F CB -0.317 38.768 39.000 0.141 0.000 1.001 94 F HN 0.054 nan 8.300 nan 0.000 0.479 95 L N -0.111 120.918 121.223 -0.322 0.000 2.093 95 L HA -0.167 4.173 4.340 0.000 0.000 0.208 95 L C 2.545 179.254 176.870 -0.268 0.000 1.085 95 L CA 1.173 55.737 54.840 -0.461 0.000 0.755 95 L CB -0.788 40.993 42.059 -0.464 0.000 0.904 95 L HN 0.101 nan 8.230 nan 0.000 0.435 96 E N 0.444 120.576 120.200 -0.113 0.000 2.051 96 E HA -0.196 4.154 4.350 0.000 0.000 0.192 96 E C 2.335 178.877 176.600 -0.096 0.000 0.991 96 E CA 1.204 57.605 56.400 0.001 0.000 0.799 96 E CB -0.292 29.441 29.700 0.054 0.000 0.748 96 E HN 0.497 nan 8.360 nan 0.000 0.449 97 L N 0.380 121.515 121.223 -0.147 0.000 2.275 97 L HA -0.149 4.191 4.340 0.000 0.000 0.215 97 L C 2.417 179.131 176.870 -0.259 0.000 1.119 97 L CA 0.260 55.006 54.840 -0.156 0.000 0.790 97 L CB -0.223 41.770 42.059 -0.111 0.000 0.919 97 L HN 0.099 nan 8.230 nan 0.000 0.443 98 L N 0.051 121.016 121.223 -0.430 0.000 2.313 98 L HA 0.121 4.461 4.340 0.000 0.000 0.214 98 L C 1.472 178.158 176.870 -0.307 0.000 1.119 98 L CA 1.314 55.829 54.840 -0.541 0.000 0.809 98 L CB -0.489 40.986 42.059 -0.973 0.000 0.933 98 L HN 0.316 nan 8.230 nan 0.000 0.449 99 G N -0.069 108.611 108.800 -0.201 0.000 2.147 99 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 99 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 99 G C 0.239 175.099 174.900 -0.067 0.000 1.005 99 G CA 0.310 45.347 45.100 -0.105 0.000 0.713 99 G HN 0.387 nan 8.290 nan 0.000 0.515 100 K N 0.475 120.838 120.400 -0.062 0.000 2.206 100 K HA 0.459 4.779 4.320 0.000 0.000 0.264 100 K C -2.673 173.982 176.600 0.091 0.000 0.967 100 K CA -1.962 54.334 56.287 0.015 0.000 0.844 100 K CB 2.214 34.733 32.500 0.031 0.000 1.099 100 K HN -0.021 nan 8.250 nan 0.000 0.441 101 P HA -0.017 nan 4.420 nan 0.000 0.269 101 P C -1.298 176.047 177.300 0.076 0.000 1.209 101 P CA 0.205 63.290 63.100 -0.026 0.000 0.776 101 P CB 0.178 31.841 31.700 -0.062 0.000 0.876 102 Y N -1.159 119.105 120.300 -0.060 0.000 2.597 102 Y HA 0.639 5.189 4.550 0.000 0.000 0.340 102 Y C -1.026 174.798 175.900 -0.125 0.000 1.097 102 Y CA -1.672 56.391 58.100 -0.062 0.000 1.037 102 Y CB 0.358 38.804 38.460 -0.023 0.000 1.305 102 Y HN 0.006 nan 8.280 nan 0.000 0.463 103 V N 2.779 122.685 119.914 -0.014 0.000 2.775 103 V HA 0.649 4.770 4.120 0.000 0.000 0.299 103 V C 0.808 176.843 176.094 -0.098 0.000 1.062 103 V CA 0.849 62.991 62.300 -0.263 0.000 1.063 103 V CB 0.380 31.718 31.823 -0.808 0.000 0.994 103 V HN 1.484 nan 8.190 nan 0.000 0.483 104 G N 2.971 111.678 108.800 -0.154 0.000 2.685 104 G HA2 0.251 4.211 3.960 0.000 0.000 0.387 104 G HA3 0.251 4.211 3.960 0.000 0.000 0.387 104 G C -0.080 174.813 174.900 -0.012 0.000 1.324 104 G CA -0.308 44.761 45.100 -0.052 0.000 0.878 104 G HN 1.593 nan 8.290 nan 0.000 0.527 105 A N -0.135 122.689 122.820 0.007 0.000 2.466 105 A HA 0.715 5.035 4.320 0.000 0.000 0.238 105 A C 1.442 179.089 177.584 0.105 0.000 1.074 105 A CA 1.422 53.451 52.037 -0.013 0.000 0.774 105 A CB 0.106 19.076 19.000 -0.049 0.000 1.015 105 A HN 2.449 nan 8.150 nan 0.000 0.498 106 G N -0.558 108.270 108.800 0.048 0.000 2.553 106 G HA2 0.371 4.331 3.960 0.000 0.000 0.278 106 G HA3 0.371 4.331 3.960 0.000 0.000 0.278 106 G C 1.062 176.028 174.900 0.110 0.000 1.349 106 G CA 0.135 45.323 45.100 0.147 0.000 1.037 106 G HN 0.708 nan 8.290 nan 0.000 0.508 107 V N 0.948 120.926 119.914 0.107 0.000 2.231 107 V HA -0.241 3.879 4.120 0.000 0.000 0.248 107 V C 3.316 179.418 176.094 0.013 0.000 1.054 107 V CA 2.780 65.109 62.300 0.048 0.000 1.015 107 V CB -1.299 30.550 31.823 0.043 0.000 0.638 107 V HN 0.820 nan 8.190 nan 0.000 0.444 108 A N 0.072 122.893 122.820 0.002 0.000 1.841 108 A HA -0.180 4.140 4.320 0.000 0.000 0.216 108 A C 2.473 180.035 177.584 -0.036 0.000 1.199 108 A CA 2.661 54.687 52.037 -0.019 0.000 0.621 108 A CB -1.219 17.766 19.000 -0.025 0.000 0.835 108 A HN 0.632 nan 8.150 nan 0.000 0.445 109 A N -0.722 122.066 122.820 -0.053 0.000 1.892 109 A HA -0.154 4.166 4.320 0.000 0.000 0.218 109 A C 2.472 180.018 177.584 -0.062 0.000 1.188 109 A CA 2.446 54.435 52.037 -0.081 0.000 0.631 109 A CB -1.126 17.799 19.000 -0.124 0.000 0.822 109 A HN 0.493 nan 8.150 nan 0.000 0.447 110 S N -0.343 115.335 115.700 -0.037 0.000 2.359 110 S HA -0.130 4.340 4.470 0.000 0.000 0.222 110 S C 2.359 176.936 174.600 -0.038 0.000 1.038 110 S CA 1.564 59.748 58.200 -0.028 0.000 1.051 110 S CB -0.640 62.557 63.200 -0.006 0.000 0.944 110 S HN 0.873 nan 8.310 nan 0.000 0.433 111 A N 0.951 123.749 122.820 -0.035 0.000 1.933 111 A HA -0.004 4.316 4.320 0.000 0.000 0.218 111 A C 2.141 179.698 177.584 -0.044 0.000 1.175 111 A CA 1.189 53.202 52.037 -0.041 0.000 0.628 111 A CB -0.668 18.313 19.000 -0.032 0.000 0.814 111 A HN 0.460 nan 8.150 nan 0.000 0.444 112 L N -1.186 120.009 121.223 -0.045 0.000 2.109 112 L HA -0.175 4.166 4.340 0.000 0.000 0.207 112 L C 2.490 179.320 176.870 -0.066 0.000 1.086 112 L CA 0.910 55.719 54.840 -0.051 0.000 0.760 112 L CB -0.492 41.536 42.059 -0.050 0.000 0.910 112 L HN 0.451 nan 8.230 nan 0.000 0.437 113 C N -0.781 118.477 119.300 -0.070 0.000 2.448 113 C HA -0.103 4.357 4.460 0.000 0.000 0.280 113 C C 2.733 177.677 174.990 -0.077 0.000 1.398 113 C CA 0.393 59.363 59.018 -0.079 0.000 1.774 113 C CB -0.387 27.310 27.740 -0.071 0.000 1.888 113 C HN 0.516 nan 8.230 nan 0.000 0.519 114 M N 0.686 120.246 119.600 -0.065 0.000 2.236 114 M HA 0.071 4.551 4.480 0.000 0.000 0.266 114 M C 0.726 176.985 176.300 -0.068 0.000 1.070 114 M CA 1.359 56.621 55.300 -0.064 0.000 1.137 114 M CB -0.284 32.279 32.600 -0.063 0.000 1.378 114 M HN 0.123 nan 8.290 nan 0.000 0.426 115 D N 0.950 121.311 120.400 -0.064 0.000 2.346 115 D HA 0.001 4.641 4.640 0.000 0.000 0.260 115 D C 0.313 176.559 176.300 -0.090 0.000 1.252 115 D CA 0.281 54.246 54.000 -0.057 0.000 0.895 115 D CB 0.726 41.505 40.800 -0.036 0.000 1.097 115 D HN 0.338 nan 8.370 nan 0.000 0.489 116 K N 2.602 122.943 120.400 -0.097 0.000 2.362 116 K HA -0.138 4.182 4.320 0.000 0.000 0.200 116 K C 1.044 177.498 176.600 -0.244 0.000 1.046 116 K CA 0.784 56.974 56.287 -0.163 0.000 0.952 116 K CB 0.359 32.783 32.500 -0.126 0.000 0.753 116 K HN 0.392 nan 8.250 nan 0.000 0.466 117 D N 0.597 120.926 120.400 -0.118 0.000 2.290 117 D HA -0.006 4.634 4.640 0.000 0.000 0.224 117 D C 1.771 178.062 176.300 -0.014 0.000 0.967 117 D CA 0.458 54.437 54.000 -0.035 0.000 0.893 117 D CB 0.147 41.047 40.800 0.167 0.000 1.037 117 D HN -0.043 nan 8.370 nan 0.000 0.477 118 L N 0.689 121.912 121.223 0.000 0.000 2.017 118 L HA -0.134 4.206 4.340 0.000 0.000 0.208 118 L C 2.667 179.512 176.870 -0.042 0.000 1.073 118 L CA 1.483 56.329 54.840 0.010 0.000 0.745 118 L CB -0.766 41.296 42.059 0.006 0.000 0.894 118 L HN 0.175 nan 8.230 nan 0.000 0.432 119 S N -0.253 115.388 115.700 -0.098 0.000 2.383 119 S HA -0.214 4.256 4.470 0.000 0.000 0.229 119 S C 1.915 176.416 174.600 -0.165 0.000 1.030 119 S CA 1.008 59.135 58.200 -0.122 0.000 1.002 119 S CB -0.363 62.752 63.200 -0.143 0.000 0.829 119 S HN 0.374 nan 8.310 nan 0.000 0.467 120 K N 1.084 121.306 120.400 -0.297 0.000 2.097 120 K HA 0.017 4.337 4.320 0.000 0.000 0.206 120 K C 2.590 179.086 176.600 -0.173 0.000 1.049 120 K CA 1.144 57.156 56.287 -0.458 0.000 0.933 120 K CB -0.201 31.562 32.500 -1.229 0.000 0.717 120 K HN 0.403 nan 8.250 nan 0.000 0.442 121 R N 0.506 121.017 120.500 0.019 0.000 2.075 121 R HA -0.081 4.259 4.340 0.000 0.000 0.232 121 R C 2.367 178.727 176.300 0.101 0.000 1.126 121 R CA 1.029 57.255 56.100 0.211 0.000 0.963 121 R CB -0.391 30.044 30.300 0.226 0.000 0.858 121 R HN -0.018 nan 8.270 nan 0.000 0.435 122 V N 1.614 121.548 119.914 0.032 0.000 2.261 122 V HA -0.237 3.883 4.120 0.000 0.000 0.246 122 V C 2.328 178.428 176.094 0.011 0.000 1.047 122 V CA 1.735 64.044 62.300 0.014 0.000 1.015 122 V CB -0.451 31.363 31.823 -0.015 0.000 0.642 122 V HN 0.269 nan 8.190 nan 0.000 0.446 123 L N 0.120 121.333 121.223 -0.016 0.000 2.046 123 L HA -0.167 4.173 4.340 0.000 0.000 0.208 123 L C 2.759 179.644 176.870 0.025 0.000 1.077 123 L CA 1.618 56.450 54.840 -0.013 0.000 0.747 123 L CB -0.926 41.098 42.059 -0.057 0.000 0.896 123 L HN 0.368 nan 8.230 nan 0.000 0.432 124 A N -0.639 122.215 122.820 0.057 0.000 1.877 124 A HA -0.262 4.058 4.320 0.000 0.000 0.216 124 A C 2.321 179.957 177.584 0.087 0.000 1.186 124 A CA 1.690 53.791 52.037 0.107 0.000 0.620 124 A CB -0.598 18.531 19.000 0.215 0.000 0.822 124 A HN 0.425 nan 8.150 nan 0.000 0.443 125 Q N -0.150 119.698 119.800 0.080 0.000 2.124 125 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 125 Q C 2.003 178.030 176.000 0.045 0.000 0.977 125 Q CA 1.741 57.581 55.803 0.061 0.000 0.850 125 Q CB -0.399 28.372 28.738 0.056 0.000 0.901 125 Q HN 0.569 nan 8.270 nan 0.000 0.429 126 A N -0.686 122.156 122.820 0.038 0.000 2.235 126 A HA 0.254 4.574 4.320 0.000 0.000 0.208 126 A C 1.349 178.953 177.584 0.033 0.000 1.172 126 A CA 1.080 53.135 52.037 0.030 0.000 0.786 126 A CB -0.413 18.601 19.000 0.022 0.000 0.804 126 A HN 0.562 nan 8.150 nan 0.000 0.479 127 G N -1.826 106.997 108.800 0.038 0.000 2.132 127 G HA2 -0.167 3.793 3.960 0.000 0.000 0.234 127 G HA3 -0.167 3.793 3.960 0.000 0.000 0.234 127 G C 0.015 174.937 174.900 0.037 0.000 0.989 127 G CA 0.081 45.203 45.100 0.036 0.000 0.676 127 G HN 0.789 nan 8.290 nan 0.000 0.522 128 V N 3.099 123.037 119.914 0.040 0.000 2.333 128 V HA 0.416 4.536 4.120 0.000 0.000 0.274 128 V C -1.278 174.843 176.094 0.045 0.000 1.028 128 V CA -1.528 60.800 62.300 0.047 0.000 0.851 128 V CB 1.494 33.340 31.823 0.038 0.000 1.000 128 V HN 0.273 nan 8.190 nan 0.000 0.456 129 P HA 0.106 nan 4.420 nan 0.000 0.263 129 P C -0.513 176.852 177.300 0.110 0.000 1.195 129 P CA 0.511 63.634 63.100 0.038 0.000 0.762 129 P CB 1.150 32.799 31.700 -0.086 0.000 0.799 130 V N 1.892 121.918 119.914 0.188 0.000 3.074 130 V HA 0.502 4.622 4.120 0.000 0.000 0.314 130 V C 0.028 176.342 176.094 0.366 0.000 1.117 130 V CA -1.188 61.235 62.300 0.204 0.000 1.014 130 V CB 1.750 33.561 31.823 -0.020 0.000 1.057 130 V HN 0.206 nan 8.190 nan 0.000 0.438 131 V N 2.554 122.586 119.914 0.197 0.000 2.715 131 V HA 0.256 4.376 4.120 0.000 0.000 0.299 131 V C -1.998 174.179 176.094 0.138 0.000 1.054 131 V CA -0.896 61.411 62.300 0.013 0.000 1.077 131 V CB 0.854 32.602 31.823 -0.126 0.000 0.972 131 V HN 0.924 nan 8.190 nan 0.000 0.484 132 P HA 0.148 nan 4.420 nan 0.000 0.267 132 P C -0.993 176.215 177.300 -0.154 0.000 1.205 132 P CA 0.334 63.352 63.100 -0.136 0.000 0.765 132 P CB 0.228 31.642 31.700 -0.478 0.000 0.828 133 W N 2.820 123.992 121.300 -0.214 0.000 3.005 133 W HA 0.700 5.360 4.660 0.000 0.000 0.343 133 W C -2.533 174.074 176.519 0.147 0.000 1.243 133 W CA -1.015 56.342 57.345 0.020 0.000 1.186 133 W CB 0.811 30.280 29.460 0.016 0.000 1.453 133 W HN 0.291 nan 8.180 nan 0.000 0.575 134 V N 2.000 121.811 119.914 -0.171 0.000 2.971 134 V HA 0.850 4.970 4.120 0.000 0.000 0.309 134 V C -0.660 175.424 176.094 -0.017 0.000 1.130 134 V CA -0.467 61.634 62.300 -0.333 0.000 0.964 134 V CB 1.602 33.362 31.823 -0.105 0.000 1.029 134 V HN 1.330 nan 8.190 nan 0.000 0.427 135 A N 4.631 127.457 122.820 0.010 0.000 2.293 135 A HA 0.853 5.173 4.320 0.000 0.000 0.302 135 A C -0.866 176.785 177.584 0.111 0.000 1.119 135 A CA -0.448 51.688 52.037 0.164 0.000 0.823 135 A CB 1.408 20.526 19.000 0.198 0.000 1.097 135 A HN 1.165 nan 8.150 nan 0.000 0.491 136 V N 2.394 122.400 119.914 0.154 0.000 2.577 136 V HA 0.457 4.577 4.120 0.000 0.000 0.303 136 V C -0.368 175.929 176.094 0.338 0.000 1.042 136 V CA -0.672 61.755 62.300 0.212 0.000 0.872 136 V CB 1.706 33.662 31.823 0.223 0.000 0.998 136 V HN 0.922 nan 8.190 nan 0.000 0.423 137 R N 3.189 123.837 120.500 0.246 0.000 2.288 137 R HA 0.397 4.737 4.340 0.000 0.000 0.326 137 R C -0.256 176.013 176.300 -0.052 0.000 0.959 137 R CA -0.857 55.346 56.100 0.172 0.000 0.834 137 R CB 1.845 32.195 30.300 0.085 0.000 1.157 137 R HN 0.674 nan 8.270 nan 0.000 0.470 138 K N 1.416 121.592 120.400 -0.373 0.000 2.477 138 K HA -0.131 4.189 4.320 0.000 0.000 0.275 138 K C 0.651 177.028 176.600 -0.371 0.000 1.054 138 K CA 1.617 57.375 56.287 -0.883 0.000 1.135 138 K CB 0.035 31.999 32.500 -0.893 0.000 0.854 138 K HN 0.918 nan 8.250 nan 0.000 0.484 139 G N 2.818 111.429 108.800 -0.314 0.000 2.135 139 G HA2 -0.227 3.733 3.960 0.000 0.000 0.183 139 G HA3 -0.227 3.733 3.960 0.000 0.000 0.183 139 G C -0.407 174.430 174.900 -0.106 0.000 1.004 139 G CA 0.169 45.169 45.100 -0.167 0.000 0.677 139 G HN 0.681 nan 8.290 nan 0.000 0.512 140 E N -0.015 120.124 120.200 -0.102 0.000 2.354 140 E HA 0.481 4.831 4.350 0.000 0.000 0.283 140 E C -2.876 173.713 176.600 -0.018 0.000 0.938 140 E CA -1.829 54.544 56.400 -0.045 0.000 0.777 140 E CB 1.893 31.580 29.700 -0.022 0.000 1.222 140 E HN 0.028 nan 8.360 nan 0.000 0.423 141 P HA 0.150 nan 4.420 nan 0.000 0.267 141 P C -2.456 174.857 177.300 0.021 0.000 1.205 141 P CA -0.706 62.396 63.100 0.004 0.000 0.765 141 P CB 0.063 31.756 31.700 -0.011 0.000 0.828 142 P HA 0.100 nan 4.420 nan 0.000 0.276 142 P C -1.064 176.240 177.300 0.007 0.000 1.230 142 P CA 0.038 63.167 63.100 0.049 0.000 0.776 142 P CB 0.803 32.554 31.700 0.085 0.000 0.888 143 V N 4.402 124.309 119.914 -0.011 0.000 2.357 143 V HA 0.179 4.299 4.120 0.000 0.000 0.281 143 V C 0.100 176.162 176.094 -0.054 0.000 1.015 143 V CA -0.759 61.521 62.300 -0.033 0.000 0.827 143 V CB 1.841 33.646 31.823 -0.030 0.000 1.018 143 V HN 0.448 nan 8.190 nan 0.000 0.432 144 V N 8.107 127.983 119.914 -0.063 0.000 2.417 144 V HA 0.568 4.688 4.120 0.000 0.000 0.291 144 V C -0.927 175.118 176.094 -0.082 0.000 1.024 144 V CA -1.350 60.840 62.300 -0.184 0.000 0.861 144 V CB 2.262 33.830 31.823 -0.424 0.000 0.985 144 V HN 0.691 nan 8.190 nan 0.000 0.436 145 P HA -0.002 nan 4.420 nan 0.000 0.215 145 P C 0.577 178.005 177.300 0.212 0.000 1.157 145 P CA 0.867 64.042 63.100 0.124 0.000 0.856 145 P CB 0.012 31.823 31.700 0.185 0.000 0.786 146 F N 0.618 120.669 119.950 0.168 0.000 2.368 146 F HA 0.547 5.074 4.527 0.000 0.000 0.308 146 F C 0.239 176.251 175.800 0.353 0.000 1.198 146 F CA -1.370 56.757 58.000 0.211 0.000 1.130 146 F CB -0.600 38.507 39.000 0.178 0.000 1.300 146 F HN -0.250 nan 8.300 nan 0.000 0.537 147 D N -0.204 120.387 120.400 0.319 0.000 2.340 147 D HA 0.388 5.028 4.640 0.000 0.000 0.243 147 D C -2.523 173.613 176.300 -0.274 0.000 0.988 147 D CA -1.271 52.698 54.000 -0.052 0.000 0.959 147 D CB 1.643 42.405 40.800 -0.065 0.000 1.226 147 D HN 0.227 nan 8.370 nan 0.000 0.509 148 P HA 0.057 nan 4.420 nan 0.000 0.271 148 P C -2.255 174.843 177.300 -0.337 0.000 1.233 148 P CA -0.513 61.980 63.100 -1.012 0.000 0.795 148 P CB -0.345 30.733 31.700 -1.037 0.000 0.936 149 P HA 0.135 nan 4.420 nan 0.000 0.272 149 P C -0.955 176.380 177.300 0.059 0.000 1.223 149 P CA 0.499 63.484 63.100 -0.193 0.000 0.784 149 P CB 0.549 32.201 31.700 -0.080 0.000 0.923 150 F N 0.070 119.986 119.950 -0.058 0.000 2.579 150 F HA 0.501 5.029 4.527 0.000 0.000 0.324 150 F C -0.001 175.781 175.800 -0.030 0.000 1.058 150 F CA -1.044 56.970 58.000 0.024 0.000 0.944 150 F CB 1.889 40.861 39.000 -0.047 0.000 1.245 150 F HN 0.119 nan 8.300 nan 0.000 0.477 151 F N 1.742 121.821 119.950 0.216 0.000 2.496 151 F HA 0.457 4.984 4.527 0.000 0.000 0.341 151 F C -0.735 175.106 175.800 0.068 0.000 1.134 151 F CA -0.757 57.302 58.000 0.098 0.000 0.968 151 F CB 1.607 40.640 39.000 0.054 0.000 1.205 151 F HN -0.069 nan 8.300 nan 0.000 0.436 152 V N 5.210 125.205 119.914 0.135 0.000 2.394 152 V HA 0.512 4.632 4.120 0.000 0.000 0.282 152 V C -0.503 175.636 176.094 0.075 0.000 1.031 152 V CA -0.802 61.541 62.300 0.071 0.000 0.881 152 V CB 1.483 33.313 31.823 0.011 0.000 0.982 152 V HN 0.616 nan 8.190 nan 0.000 0.451 153 K N 5.061 125.491 120.400 0.049 0.000 2.477 153 K HA 0.614 4.934 4.320 0.000 0.000 0.255 153 K C -3.102 173.487 176.600 -0.017 0.000 0.952 153 K CA -2.055 54.254 56.287 0.037 0.000 0.826 153 K CB 2.380 34.918 32.500 0.062 0.000 1.331 153 K HN 0.270 nan 8.250 nan 0.000 0.437 154 P HA 0.072 nan 4.420 nan 0.000 0.278 154 P C 0.023 177.323 177.300 -0.001 0.000 1.238 154 P CA -0.196 62.898 63.100 -0.010 0.000 0.794 154 P CB 1.012 32.755 31.700 0.072 0.000 0.955 155 A N 3.079 125.904 122.820 0.009 0.000 1.940 155 A HA -0.138 4.182 4.320 0.000 0.000 0.219 155 A C 0.668 178.246 177.584 -0.010 0.000 1.176 155 A CA 1.547 53.590 52.037 0.010 0.000 0.631 155 A CB -0.687 18.336 19.000 0.037 0.000 0.814 155 A HN 0.598 nan 8.150 nan 0.000 0.446 156 N N -0.069 118.628 118.700 -0.004 0.000 2.491 156 N HA 0.429 5.169 4.740 0.000 0.000 0.274 156 N C -0.716 174.778 175.510 -0.027 0.000 1.023 156 N CA 0.550 53.583 53.050 -0.028 0.000 0.902 156 N CB 1.929 40.391 38.487 -0.042 0.000 1.267 156 N HN 0.513 nan 8.380 nan 0.000 0.503 157 T N -1.391 113.136 114.554 -0.045 0.000 2.647 157 T HA 0.788 5.138 4.350 0.000 0.000 0.302 157 T C -0.242 174.422 174.700 -0.060 0.000 1.389 157 T CA -0.873 61.189 62.100 -0.064 0.000 1.037 157 T CB 1.743 70.559 68.868 -0.086 0.000 1.755 157 T HN 0.438 nan 8.240 nan 0.000 0.467 158 G N -1.000 107.756 108.800 -0.073 0.000 2.623 158 G HA2 0.513 4.473 3.960 0.000 0.000 0.290 158 G HA3 0.513 4.473 3.960 0.000 0.000 0.290 158 G C -0.354 174.514 174.900 -0.053 0.000 1.437 158 G CA -0.009 45.064 45.100 -0.046 0.000 0.798 158 G HN 1.605 nan 8.290 nan 0.000 0.488 159 S N -0.503 115.180 115.700 -0.030 0.000 3.425 159 S HA -0.232 4.239 4.470 0.000 0.000 0.377 159 S C 1.488 176.074 174.600 -0.023 0.000 0.989 159 S CA 1.650 59.838 58.200 -0.021 0.000 1.183 159 S CB -1.379 61.809 63.200 -0.021 0.000 0.908 159 S HN 2.031 nan 8.310 nan 0.000 0.472 160 S N -2.670 113.022 115.700 -0.014 0.000 3.257 160 S HA -0.202 4.268 4.470 0.000 0.000 0.300 160 S C 0.491 175.063 174.600 -0.046 0.000 1.275 160 S CA 0.807 59.008 58.200 0.002 0.000 1.023 160 S CB -1.333 61.891 63.200 0.039 0.000 1.180 160 S HN 0.750 nan 8.310 nan 0.000 0.660 161 V N 1.222 121.062 119.914 -0.125 0.000 2.493 161 V HA 0.361 4.481 4.120 0.000 0.000 0.292 161 V C 1.690 177.605 176.094 -0.298 0.000 1.016 161 V CA 1.420 63.555 62.300 -0.275 0.000 1.097 161 V CB 0.100 31.654 31.823 -0.448 0.000 0.947 161 V HN 1.111 nan 8.190 nan 0.000 0.479 162 G N 4.806 113.513 108.800 -0.155 0.000 2.179 162 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 162 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 162 G C 0.098 175.039 174.900 0.067 0.000 0.977 162 G CA 0.138 45.298 45.100 0.098 0.000 0.641 162 G HN 0.601 nan 8.290 nan 0.000 0.533 163 I N 1.624 122.214 120.570 0.033 0.000 2.440 163 I HA 0.569 4.740 4.170 0.000 0.000 0.294 163 I C 0.535 176.679 176.117 0.044 0.000 0.995 163 I CA 0.017 61.358 61.300 0.068 0.000 1.306 163 I CB 1.730 39.798 38.000 0.113 0.000 1.407 163 I HN 0.394 nan 8.210 nan 0.000 0.501 164 S N 5.203 120.904 115.700 0.001 0.000 2.535 164 S HA 0.479 4.949 4.470 0.000 0.000 0.272 164 S C -0.853 173.551 174.600 -0.326 0.000 1.149 164 S CA -1.116 57.017 58.200 -0.113 0.000 0.888 164 S CB 1.877 65.040 63.200 -0.063 0.000 1.110 164 S HN 0.661 nan 8.310 nan 0.000 0.463 165 R N 1.314 121.504 120.500 -0.515 0.000 2.390 165 R HA 0.680 5.020 4.340 0.000 0.000 0.291 165 R C -1.050 175.045 176.300 -0.341 0.000 1.070 165 R CA -0.322 55.328 56.100 -0.749 0.000 1.014 165 R CB 0.640 30.503 30.300 -0.728 0.000 1.007 165 R HN 0.634 nan 8.270 nan 0.000 0.466 166 V N 3.421 123.187 119.914 -0.247 0.000 2.864 166 V HA 0.250 4.370 4.120 0.000 0.000 0.314 166 V C 0.172 176.147 176.094 -0.199 0.000 1.073 166 V CA -0.582 61.632 62.300 -0.142 0.000 0.956 166 V CB 1.991 33.805 31.823 -0.016 0.000 1.023 166 V HN 0.878 nan 8.190 nan 0.000 0.435 167 E N 1.666 121.745 120.200 -0.201 0.000 2.391 167 E HA 0.257 4.607 4.350 0.000 0.000 0.206 167 E C 0.247 176.668 176.600 -0.298 0.000 0.851 167 E CA 0.176 56.434 56.400 -0.237 0.000 1.059 167 E CB 1.018 30.621 29.700 -0.160 0.000 1.065 167 E HN 0.551 nan 8.360 nan 0.000 0.512 168 R N -0.530 119.826 120.500 -0.240 0.000 2.744 168 R HA 0.352 4.692 4.340 0.000 0.000 0.279 168 R C 0.330 176.539 176.300 -0.152 0.000 0.977 168 R CA -0.578 55.391 56.100 -0.218 0.000 0.906 168 R CB 0.942 31.186 30.300 -0.092 0.000 1.197 168 R HN -0.160 nan 8.270 nan 0.000 0.463 169 F N 1.791 121.678 119.950 -0.105 0.000 2.236 169 F HA -0.265 4.262 4.527 0.000 0.000 0.302 169 F C 2.556 178.354 175.800 -0.004 0.000 1.073 169 F CA 1.812 59.793 58.000 -0.031 0.000 1.336 169 F CB -0.144 38.841 39.000 -0.025 0.000 1.040 169 F HN 0.603 nan 8.300 nan 0.000 0.507 170 Q N -0.249 119.647 119.800 0.159 0.000 2.170 170 Q HA -0.189 4.151 4.340 0.000 0.000 0.203 170 Q C 1.243 177.283 176.000 0.067 0.000 0.976 170 Q CA 1.792 57.649 55.803 0.091 0.000 0.858 170 Q CB -0.585 28.183 28.738 0.050 0.000 0.907 170 Q HN 0.356 nan 8.270 nan 0.000 0.433 171 D N 1.128 121.554 120.400 0.043 0.000 2.162 171 D HA -0.090 4.550 4.640 0.000 0.000 0.203 171 D C 2.065 178.401 176.300 0.059 0.000 0.967 171 D CA 0.561 54.577 54.000 0.026 0.000 0.840 171 D CB -0.110 40.679 40.800 -0.018 0.000 0.972 171 D HN 0.179 nan 8.370 nan 0.000 0.482 172 L N 1.906 123.194 121.223 0.107 0.000 2.034 172 L HA -0.290 4.051 4.340 0.000 0.000 0.217 172 L C 2.240 179.180 176.870 0.118 0.000 1.077 172 L CA 1.985 56.917 54.840 0.153 0.000 0.769 172 L CB -0.711 41.510 42.059 0.269 0.000 0.890 172 L HN -0.126 nan 8.230 nan 0.000 0.435 173 E N -0.346 119.922 120.200 0.114 0.000 2.065 173 E HA -0.256 4.094 4.350 0.000 0.000 0.201 173 E C 2.062 178.714 176.600 0.087 0.000 1.016 173 E CA 2.015 58.475 56.400 0.100 0.000 0.818 173 E CB -0.590 29.157 29.700 0.078 0.000 0.749 173 E HN 0.598 nan 8.360 nan 0.000 0.453 174 A N 0.782 123.641 122.820 0.065 0.000 1.858 174 A HA -0.057 4.263 4.320 0.000 0.000 0.216 174 A C 2.511 180.124 177.584 0.048 0.000 1.190 174 A CA 2.469 54.536 52.037 0.051 0.000 0.617 174 A CB -1.268 17.752 19.000 0.033 0.000 0.827 174 A HN 0.434 nan 8.150 nan 0.000 0.443 175 A N -0.356 122.487 122.820 0.039 0.000 1.948 175 A HA -0.113 4.207 4.320 0.000 0.000 0.220 175 A C 2.195 179.777 177.584 -0.003 0.000 1.177 175 A CA 1.672 53.720 52.037 0.019 0.000 0.636 175 A CB -0.630 18.380 19.000 0.015 0.000 0.815 175 A HN 0.496 nan 8.150 nan 0.000 0.449 176 L N -1.116 120.114 121.223 0.012 0.000 2.056 176 L HA -0.153 4.187 4.340 0.000 0.000 0.207 176 L C 3.098 180.006 176.870 0.064 0.000 1.078 176 L CA 0.994 55.799 54.840 -0.060 0.000 0.749 176 L CB -0.557 41.571 42.059 0.115 0.000 0.901 176 L HN 0.435 nan 8.230 nan 0.000 0.433 177 A N -0.066 122.865 122.820 0.185 0.000 1.972 177 A HA -0.214 4.106 4.320 0.000 0.000 0.219 177 A C 2.186 179.834 177.584 0.106 0.000 1.169 177 A CA 1.513 53.675 52.037 0.210 0.000 0.635 177 A CB -0.569 18.505 19.000 0.123 0.000 0.810 177 A HN 0.331 nan 8.150 nan 0.000 0.446 178 L N -0.261 120.994 121.223 0.054 0.000 2.027 178 L HA -0.020 4.320 4.340 0.000 0.000 0.206 178 L C 2.629 179.525 176.870 0.044 0.000 1.074 178 L CA 2.293 57.158 54.840 0.042 0.000 0.745 178 L CB -0.898 41.199 42.059 0.064 0.000 0.898 178 L HN 0.308 nan 8.230 nan 0.000 0.433 179 A N -1.011 121.806 122.820 -0.005 0.000 1.898 179 A HA -0.168 4.152 4.320 0.000 0.000 0.216 179 A C 1.923 179.475 177.584 -0.054 0.000 1.181 179 A CA 1.529 53.548 52.037 -0.029 0.000 0.620 179 A CB -1.099 17.769 19.000 -0.221 0.000 0.819 179 A HN 0.458 nan 8.150 nan 0.000 0.442 180 F N -0.006 119.960 119.950 0.026 0.000 2.722 180 F HA 0.025 4.552 4.527 0.000 0.000 0.298 180 F C 2.269 178.018 175.800 -0.085 0.000 1.175 180 F CA 0.390 58.386 58.000 -0.007 0.000 1.462 180 F CB -0.178 38.819 39.000 -0.006 0.000 1.111 180 F HN 0.114 nan 8.300 nan 0.000 0.592 181 R N -1.008 119.448 120.500 -0.073 0.000 2.119 181 R HA -0.051 4.289 4.340 0.000 0.000 0.222 181 R C 1.003 176.998 176.300 -0.508 0.000 1.088 181 R CA 1.156 57.022 56.100 -0.390 0.000 0.984 181 R CB -0.372 29.473 30.300 -0.758 0.000 0.884 181 R HN 0.315 nan 8.270 nan 0.000 0.447 182 Y N -1.288 119.052 120.300 0.066 0.000 2.481 182 Y HA 0.308 4.858 4.550 0.000 0.000 0.247 182 Y C -0.127 175.804 175.900 0.051 0.000 1.151 182 Y CA -0.794 57.335 58.100 0.048 0.000 1.238 182 Y CB 0.789 39.264 38.460 0.026 0.000 1.179 182 Y HN -0.143 nan 8.280 nan 0.000 0.524 183 D N -0.960 119.547 120.400 0.178 0.000 2.706 183 D HA 0.114 4.754 4.640 0.000 0.000 0.227 183 D C 0.217 176.668 176.300 0.253 0.000 1.233 183 D CA -0.227 53.872 54.000 0.164 0.000 0.768 183 D CB 1.462 42.339 40.800 0.127 0.000 1.490 183 D HN -0.133 nan 8.370 nan 0.000 0.458 184 E N 0.870 121.193 120.200 0.206 0.000 2.418 184 E HA -0.024 4.326 4.350 0.000 0.000 0.197 184 E C 0.192 177.009 176.600 0.362 0.000 1.026 184 E CA 0.725 57.260 56.400 0.226 0.000 0.862 184 E CB 0.368 30.128 29.700 0.099 0.000 0.799 184 E HN 0.256 nan 8.360 nan 0.000 0.518 185 K N -0.172 120.417 120.400 0.316 0.000 2.426 185 K HA 0.587 4.907 4.320 0.000 0.000 0.251 185 K C -1.458 175.217 176.600 0.124 0.000 0.941 185 K CA -0.531 55.934 56.287 0.298 0.000 0.808 185 K CB 2.117 34.721 32.500 0.173 0.000 1.265 185 K HN -0.080 nan 8.250 nan 0.000 0.432 186 A N 1.677 124.518 122.820 0.033 0.000 2.532 186 A HA 0.743 5.064 4.320 0.000 0.000 0.290 186 A C -1.277 176.316 177.584 0.016 0.000 1.143 186 A CA -0.684 51.276 52.037 -0.128 0.000 0.728 186 A CB 1.553 20.245 19.000 -0.513 0.000 1.317 186 A HN 0.556 nan 8.150 nan 0.000 0.414 187 V N -1.666 118.268 119.914 0.033 0.000 2.709 187 V HA 0.830 4.950 4.120 0.000 0.000 0.308 187 V C -0.937 175.232 176.094 0.124 0.000 1.062 187 V CA -0.732 61.660 62.300 0.155 0.000 0.901 187 V CB 1.290 33.215 31.823 0.170 0.000 1.003 187 V HN 0.760 nan 8.190 nan 0.000 0.425 188 V N 4.735 124.745 119.914 0.160 0.000 2.326 188 V HA 0.515 4.635 4.120 0.000 0.000 0.281 188 V C 0.035 176.278 176.094 0.249 0.000 1.015 188 V CA -0.314 62.017 62.300 0.052 0.000 0.823 188 V CB 0.905 32.598 31.823 -0.217 0.000 1.009 188 V HN 1.122 nan 8.190 nan 0.000 0.436 189 E N 3.441 123.808 120.200 0.279 0.000 2.249 189 E HA 0.540 4.890 4.350 0.000 0.000 0.263 189 E C -0.602 176.207 176.600 0.349 0.000 0.950 189 E CA -1.192 55.397 56.400 0.315 0.000 0.827 189 E CB 2.157 31.975 29.700 0.197 0.000 1.220 189 E HN 0.447 nan 8.360 nan 0.000 0.411 190 K N 0.734 121.207 120.400 0.122 0.000 2.412 190 K HA 0.175 4.495 4.320 0.000 0.000 0.281 190 K C -0.761 175.933 176.600 0.157 0.000 1.027 190 K CA -0.154 56.253 56.287 0.200 0.000 0.989 190 K CB 0.520 32.923 32.500 -0.162 0.000 0.935 190 K HN 0.607 nan 8.250 nan 0.000 0.475 191 A N 6.568 129.560 122.820 0.287 0.000 2.343 191 A HA 0.268 4.588 4.320 0.000 0.000 0.305 191 A C -0.058 177.545 177.584 0.032 0.000 1.308 191 A CA -0.672 51.530 52.037 0.275 0.000 0.949 191 A CB -0.122 19.149 19.000 0.452 0.000 1.148 191 A HN 0.767 nan 8.150 nan 0.000 0.545 192 L N 1.987 123.097 121.223 -0.189 0.000 2.439 192 L HA 0.498 4.838 4.340 0.000 0.000 0.269 192 L C 0.760 177.535 176.870 -0.158 0.000 1.179 192 L CA 0.094 54.795 54.840 -0.232 0.000 0.828 192 L CB 1.005 42.814 42.059 -0.418 0.000 1.106 192 L HN 0.699 nan 8.230 nan 0.000 0.467 193 S N 2.160 117.804 115.700 -0.093 0.000 2.639 193 S HA 0.351 4.821 4.470 0.000 0.000 0.319 193 S C -2.561 172.021 174.600 -0.030 0.000 0.991 193 S CA -1.102 57.063 58.200 -0.057 0.000 0.858 193 S CB 0.970 64.151 63.200 -0.032 0.000 1.068 193 S HN 0.622 nan 8.310 nan 0.000 0.458 194 P HA 0.606 nan 4.420 nan 0.000 0.274 194 P C -1.098 176.186 177.300 -0.026 0.000 1.231 194 P CA -0.512 62.576 63.100 -0.021 0.000 0.790 194 P CB 1.250 32.948 31.700 -0.003 0.000 0.951 195 V N 2.206 122.098 119.914 -0.037 0.000 2.971 195 V HA 0.477 4.597 4.120 0.000 0.000 0.309 195 V C -0.967 175.153 176.094 0.043 0.000 1.130 195 V CA -0.932 61.354 62.300 -0.024 0.000 0.964 195 V CB 2.476 34.196 31.823 -0.172 0.000 1.029 195 V HN 0.605 nan 8.190 nan 0.000 0.427 196 R N 3.814 124.381 120.500 0.112 0.000 2.445 196 R HA 0.568 4.908 4.340 0.000 0.000 0.308 196 R C -0.907 175.532 176.300 0.232 0.000 0.961 196 R CA -0.554 55.635 56.100 0.147 0.000 0.862 196 R CB 1.919 32.285 30.300 0.110 0.000 1.144 196 R HN 0.697 nan 8.270 nan 0.000 0.447 197 E N 3.485 123.832 120.200 0.244 0.000 2.130 197 E HA 0.229 4.579 4.350 0.000 0.000 0.284 197 E C -0.567 176.127 176.600 0.157 0.000 1.018 197 E CA -0.227 56.329 56.400 0.260 0.000 0.817 197 E CB 1.062 30.941 29.700 0.299 0.000 1.078 197 E HN 0.234 nan 8.360 nan 0.000 0.396 198 L N 2.646 123.955 121.223 0.143 0.000 2.322 198 L HA 0.529 4.869 4.340 0.000 0.000 0.269 198 L C 0.037 176.976 176.870 0.116 0.000 1.012 198 L CA -0.682 54.216 54.840 0.097 0.000 0.815 198 L CB 1.540 43.638 42.059 0.065 0.000 1.295 198 L HN 0.465 nan 8.230 nan 0.000 0.438 199 E N 0.878 121.124 120.200 0.077 0.000 2.343 199 E HA 0.604 4.954 4.350 0.000 0.000 0.278 199 E C -1.689 174.940 176.600 0.048 0.000 0.910 199 E CA -0.578 55.877 56.400 0.091 0.000 0.757 199 E CB 3.524 33.252 29.700 0.048 0.000 1.218 199 E HN 0.229 nan 8.360 nan 0.000 0.435 200 V N 0.945 120.911 119.914 0.086 0.000 2.971 200 V HA 0.812 4.932 4.120 0.000 0.000 0.309 200 V C -0.785 175.329 176.094 0.034 0.000 1.130 200 V CA -0.289 62.009 62.300 -0.003 0.000 0.964 200 V CB 2.052 33.869 31.823 -0.011 0.000 1.029 200 V HN 0.735 nan 8.190 nan 0.000 0.427 201 G N 3.667 112.405 108.800 -0.104 0.000 2.410 201 G HA2 0.659 4.619 3.960 0.000 0.000 0.330 201 G HA3 0.659 4.619 3.960 0.000 0.000 0.330 201 G C -1.330 173.644 174.900 0.123 0.000 1.142 201 G CA -0.561 44.586 45.100 0.078 0.000 0.902 201 G HN 0.943 nan 8.290 nan 0.000 0.491 202 V N 1.324 121.487 119.914 0.414 0.000 2.735 202 V HA 0.669 4.789 4.120 0.000 0.000 0.310 202 V C -0.831 175.448 176.094 0.309 0.000 1.061 202 V CA -0.803 61.592 62.300 0.158 0.000 0.913 202 V CB 1.760 33.285 31.823 -0.497 0.000 1.005 202 V HN 0.723 nan 8.190 nan 0.000 0.428 203 L N 3.082 124.407 121.223 0.171 0.000 2.436 203 L HA 1.041 5.381 4.340 0.000 0.000 0.268 203 L C -0.187 176.710 176.870 0.044 0.000 0.974 203 L CA 0.772 55.644 54.840 0.055 0.000 0.826 203 L CB 1.680 43.559 42.059 -0.299 0.000 1.291 203 L HN 1.136 nan 8.230 nan 0.000 0.406 204 G N 2.703 111.572 108.800 0.115 0.000 2.334 204 G HA2 0.002 3.962 3.960 0.000 0.000 0.566 204 G HA3 0.002 3.962 3.960 0.000 0.000 0.566 204 G C -1.763 173.288 174.900 0.252 0.000 1.413 204 G CA -1.043 44.145 45.100 0.146 0.000 0.993 204 G HN 0.680 nan 8.290 nan 0.000 0.642 205 N N 0.741 119.550 118.700 0.183 0.000 2.439 205 N HA 0.500 5.240 4.740 0.000 0.000 0.249 205 N C 1.556 177.150 175.510 0.140 0.000 1.003 205 N CA 0.538 53.667 53.050 0.132 0.000 0.942 205 N CB 1.540 40.062 38.487 0.058 0.000 1.115 205 N HN 1.229 nan 8.380 nan 0.000 0.505 206 V N 1.117 121.060 119.914 0.048 0.000 0.532 206 V HA -0.370 3.750 4.120 0.000 0.000 0.092 206 V C 0.182 176.191 176.094 -0.141 0.000 2.164 206 V CA 1.642 63.840 62.300 -0.169 0.000 3.538 206 V CB -1.334 30.268 31.823 -0.367 0.000 0.829 206 V HN 0.573 nan 8.190 nan 0.000 0.866 207 F N 2.192 122.245 119.950 0.172 0.000 2.334 207 F HA 0.677 5.205 4.527 0.000 0.000 0.365 207 F C 0.941 176.817 175.800 0.127 0.000 1.124 207 F CA 0.422 58.502 58.000 0.135 0.000 1.166 207 F CB 0.827 39.872 39.000 0.075 0.000 1.355 207 F HN 0.267 nan 8.300 nan 0.000 0.532 208 G N 1.843 110.763 108.800 0.200 0.000 2.531 208 G HA2 0.481 4.441 3.960 0.000 0.000 0.313 208 G HA3 0.481 4.441 3.960 0.000 0.000 0.313 208 G C -1.378 173.536 174.900 0.024 0.000 1.238 208 G CA -0.569 44.543 45.100 0.020 0.000 0.994 208 G HN 0.493 nan 8.290 nan 0.000 0.493 209 E N -0.632 119.580 120.200 0.020 0.000 2.187 209 E HA 0.581 4.931 4.350 0.000 0.000 0.268 209 E C -0.381 176.273 176.600 0.090 0.000 0.896 209 E CA -0.886 55.559 56.400 0.075 0.000 0.766 209 E CB 1.649 31.425 29.700 0.128 0.000 1.142 209 E HN 0.590 nan 8.360 nan 0.000 0.408 210 A N 2.925 125.748 122.820 0.006 0.000 2.303 210 A HA 0.539 4.859 4.320 0.000 0.000 0.317 210 A C -0.000 177.435 177.584 -0.247 0.000 1.149 210 A CA -0.427 51.555 52.037 -0.091 0.000 0.822 210 A CB 1.183 20.127 19.000 -0.093 0.000 1.131 210 A HN 0.722 nan 8.150 nan 0.000 0.493 211 S N 1.609 116.983 115.700 -0.542 0.000 2.707 211 S HA 0.706 5.176 4.470 0.000 0.000 0.276 211 S C -2.755 171.603 174.600 -0.404 0.000 1.179 211 S CA -1.275 56.464 58.200 -0.768 0.000 0.992 211 S CB 0.508 62.897 63.200 -1.352 0.000 1.030 211 S HN 0.432 nan 8.310 nan 0.000 0.554 212 P HA 0.238 nan 4.420 nan 0.000 0.270 212 P C -0.927 176.250 177.300 -0.204 0.000 1.223 212 P CA -0.493 62.478 63.100 -0.213 0.000 0.785 212 P CB 0.337 31.933 31.700 -0.175 0.000 0.923 213 V N 1.512 121.334 119.914 -0.154 0.000 2.607 213 V HA 0.567 4.688 4.120 0.000 0.000 0.289 213 V C 0.979 177.011 176.094 -0.103 0.000 1.053 213 V CA 0.251 62.473 62.300 -0.130 0.000 0.996 213 V CB 0.846 32.591 31.823 -0.130 0.000 0.995 213 V HN 0.747 nan 8.190 nan 0.000 0.476 214 G N 2.788 111.539 108.800 -0.081 0.000 2.600 214 G HA2 0.696 4.657 3.960 0.000 0.000 0.303 214 G HA3 0.696 4.657 3.960 0.000 0.000 0.303 214 G C -1.287 173.594 174.900 -0.033 0.000 1.253 214 G CA -0.457 44.606 45.100 -0.062 0.000 0.974 214 G HN 0.688 nan 8.290 nan 0.000 0.483 215 E N -0.457 119.727 120.200 -0.026 0.000 2.266 215 E HA 0.524 4.874 4.350 0.000 0.000 0.268 215 E C -1.234 175.359 176.600 -0.011 0.000 0.879 215 E CA -0.689 55.711 56.400 -0.000 0.000 0.762 215 E CB 2.480 32.183 29.700 0.006 0.000 1.199 215 E HN 0.231 nan 8.360 nan 0.000 0.422 216 V N 4.435 124.355 119.914 0.010 0.000 2.383 216 V HA 0.392 4.512 4.120 0.000 0.000 0.275 216 V C 0.063 176.141 176.094 -0.028 0.000 1.036 216 V CA -0.411 61.856 62.300 -0.054 0.000 0.889 216 V CB 1.118 32.911 31.823 -0.049 0.000 0.985 216 V HN 0.589 nan 8.190 nan 0.000 0.459 217 R N 4.067 124.505 120.500 -0.103 0.000 2.360 217 R HA 0.424 4.764 4.340 0.000 0.000 0.318 217 R C -1.546 174.697 176.300 -0.096 0.000 0.950 217 R CA -0.593 55.496 56.100 -0.017 0.000 0.837 217 R CB 0.911 31.207 30.300 -0.006 0.000 1.165 217 R HN 0.624 nan 8.270 nan 0.000 0.458 218 Y N 2.680 122.991 120.300 0.019 0.000 2.319 218 Y HA 0.088 4.638 4.550 0.000 0.000 0.328 218 Y C 0.623 176.531 175.900 0.013 0.000 1.133 218 Y CA -0.218 57.893 58.100 0.018 0.000 1.265 218 Y CB 0.965 39.439 38.460 0.024 0.000 1.218 218 Y HN 0.499 nan 8.280 nan 0.000 0.508 219 E N 1.759 122.026 120.200 0.112 0.000 2.313 219 E HA 0.656 5.006 4.350 0.000 0.000 0.272 219 E C -0.498 176.149 176.600 0.078 0.000 1.038 219 E CA -1.047 55.395 56.400 0.071 0.000 0.863 219 E CB 1.188 30.906 29.700 0.031 0.000 1.060 219 E HN 0.648 nan 8.360 nan 0.000 0.402 220 A N 3.561 126.414 122.820 0.055 0.000 2.492 220 A HA 0.205 4.526 4.320 0.000 0.000 0.236 220 A C -1.253 176.354 177.584 0.038 0.000 1.078 220 A CA -0.854 51.209 52.037 0.044 0.000 0.773 220 A CB -0.752 18.267 19.000 0.030 0.000 1.023 220 A HN 0.747 nan 8.150 nan 0.000 0.504 235 E N 0.884 120.969 120.200 -0.192 0.000 2.299 235 E HA 0.843 5.193 4.350 0.000 0.000 0.260 235 E C -1.501 175.028 176.600 -0.119 0.000 0.944 235 E CA -0.637 55.691 56.400 -0.121 0.000 0.815 235 E CB 1.235 30.888 29.700 -0.078 0.000 1.252 235 E HN 0.508 nan 8.360 nan 0.000 0.418 236 L N 2.204 123.375 121.223 -0.087 0.000 2.305 236 L HA 0.424 4.764 4.340 0.000 0.000 0.284 236 L C -0.751 176.083 176.870 -0.060 0.000 1.013 236 L CA -0.234 54.560 54.840 -0.076 0.000 0.819 236 L CB 1.093 43.108 42.059 -0.073 0.000 1.227 236 L HN 0.466 nan 8.230 nan 0.000 0.417 237 L N 5.524 126.717 121.223 -0.051 0.000 2.259 237 L HA 0.546 4.886 4.340 0.000 0.000 0.288 237 L C -0.560 176.281 176.870 -0.049 0.000 1.051 237 L CA -0.102 54.713 54.840 -0.043 0.000 0.824 237 L CB 0.403 42.444 42.059 -0.030 0.000 1.206 237 L HN 0.524 nan 8.230 nan 0.000 0.429 238 I N 4.905 125.443 120.570 -0.053 0.000 2.468 238 I HA 0.368 4.538 4.170 0.000 0.000 0.285 238 I C -1.812 174.271 176.117 -0.057 0.000 1.039 238 I CA -1.602 59.660 61.300 -0.063 0.000 1.074 238 I CB 1.887 39.842 38.000 -0.074 0.000 1.228 238 I HN 0.476 nan 8.210 nan 0.000 0.436 239 P HA 0.425 nan 4.420 nan 0.000 0.276 239 P C -0.505 176.764 177.300 -0.052 0.000 1.252 239 P CA -0.416 62.647 63.100 -0.062 0.000 0.802 239 P CB 1.179 32.843 31.700 -0.061 0.000 1.035 240 A N 2.769 125.556 122.820 -0.054 0.000 2.388 240 A HA 0.423 4.743 4.320 0.000 0.000 0.257 240 A C -1.907 175.655 177.584 -0.036 0.000 1.095 240 A CA -1.160 50.852 52.037 -0.041 0.000 0.791 240 A CB -0.666 18.309 19.000 -0.041 0.000 1.029 240 A HN 0.481 nan 8.150 nan 0.000 0.489 241 P HA 0.372 nan 4.420 nan 0.000 0.266 241 P C -0.873 176.416 177.300 -0.020 0.000 1.586 241 P CA 0.268 63.355 63.100 -0.021 0.000 1.088 241 P CB 0.198 31.890 31.700 -0.013 0.000 1.584 247 Q N 1.404 121.139 119.800 -0.109 0.000 2.084 247 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 247 Q C 1.596 177.514 176.000 -0.138 0.000 0.978 247 Q CA 2.112 57.837 55.803 -0.129 0.000 0.844 247 Q CB 0.044 28.721 28.738 -0.103 0.000 0.898 247 Q HN 0.413 nan 8.270 nan 0.000 0.426 248 E N -0.025 120.112 120.200 -0.105 0.000 2.085 248 E HA -0.151 4.199 4.350 0.000 0.000 0.194 248 E C 1.985 178.522 176.600 -0.105 0.000 0.994 248 E CA 1.964 58.309 56.400 -0.091 0.000 0.801 248 E CB -0.533 29.127 29.700 -0.065 0.000 0.743 248 E HN 0.353 nan 8.360 nan 0.000 0.453 249 T N 0.188 114.670 114.554 -0.120 0.000 2.821 249 T HA -0.080 4.270 4.350 0.000 0.000 0.267 249 T C 1.980 176.549 174.700 -0.217 0.000 1.046 249 T CA 0.983 63.004 62.100 -0.131 0.000 1.139 249 T CB -0.222 68.575 68.868 -0.120 0.000 0.871 249 T HN -0.030 nan 8.240 nan 0.000 0.454 250 V N 1.562 121.281 119.914 -0.324 0.000 2.358 250 V HA -0.189 3.931 4.120 0.000 0.000 0.246 250 V C 2.581 178.441 176.094 -0.389 0.000 1.047 250 V CA 1.621 63.553 62.300 -0.613 0.000 1.035 250 V CB -0.597 30.859 31.823 -0.611 0.000 0.658 250 V HN 0.514 nan 8.190 nan 0.000 0.452 251 Q N -0.413 119.261 119.800 -0.210 0.000 2.119 251 Q HA -0.213 4.127 4.340 0.000 0.000 0.201 251 Q C 2.250 178.223 176.000 -0.043 0.000 0.972 251 Q CA 1.664 57.403 55.803 -0.107 0.000 0.847 251 Q CB -0.138 28.541 28.738 -0.098 0.000 0.903 251 Q HN 0.702 nan 8.270 nan 0.000 0.433 252 E N 0.693 120.863 120.200 -0.048 0.000 2.047 252 E HA -0.155 4.195 4.350 0.000 0.000 0.191 252 E C 2.055 178.681 176.600 0.043 0.000 0.987 252 E CA 0.850 57.248 56.400 -0.003 0.000 0.799 252 E CB -0.069 29.622 29.700 -0.014 0.000 0.752 252 E HN 0.280 nan 8.360 nan 0.000 0.449 253 L N 0.716 121.968 121.223 0.049 0.000 2.046 253 L HA -0.205 4.135 4.340 0.000 0.000 0.208 253 L C 2.610 179.638 176.870 0.264 0.000 1.077 253 L CA 0.984 55.922 54.840 0.163 0.000 0.747 253 L CB -0.532 41.675 42.059 0.247 0.000 0.896 253 L HN 0.163 nan 8.230 nan 0.000 0.432 254 A N -0.039 122.977 122.820 0.325 0.000 1.865 254 A HA -0.217 4.103 4.320 0.000 0.000 0.217 254 A C 2.132 179.825 177.584 0.181 0.000 1.191 254 A CA 1.615 53.844 52.037 0.319 0.000 0.623 254 A CB -0.709 18.451 19.000 0.268 0.000 0.826 254 A HN 0.257 nan 8.150 nan 0.000 0.444 255 L N -0.165 121.122 121.223 0.107 0.000 2.083 255 L HA -0.123 4.217 4.340 0.000 0.000 0.209 255 L C 2.375 179.325 176.870 0.134 0.000 1.083 255 L CA 2.275 57.168 54.840 0.089 0.000 0.752 255 L CB -0.811 41.279 42.059 0.052 0.000 0.899 255 L HN 0.545 nan 8.230 nan 0.000 0.433 256 K N -0.735 119.732 120.400 0.112 0.000 2.025 256 K HA -0.125 4.195 4.320 0.000 0.000 0.207 256 K C 2.078 178.726 176.600 0.081 0.000 1.049 256 K CA 1.251 57.590 56.287 0.087 0.000 0.933 256 K CB -0.062 32.482 32.500 0.072 0.000 0.714 256 K HN 0.240 nan 8.250 nan 0.000 0.438 257 A N 0.237 123.114 122.820 0.096 0.000 1.933 257 A HA -0.197 4.123 4.320 0.000 0.000 0.218 257 A C 2.056 179.682 177.584 0.070 0.000 1.175 257 A CA 1.394 53.465 52.037 0.058 0.000 0.628 257 A CB -0.918 18.104 19.000 0.036 0.000 0.814 257 A HN 0.564 nan 8.150 nan 0.000 0.444 258 Y N 0.585 120.877 120.300 -0.014 0.000 2.128 258 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 258 Y C 2.474 178.329 175.900 -0.075 0.000 1.154 258 Y CA 2.461 60.547 58.100 -0.025 0.000 1.149 258 Y CB -0.113 38.355 38.460 0.014 0.000 0.976 258 Y HN 0.346 nan 8.280 nan 0.000 0.505 259 K N -0.539 119.907 120.400 0.076 0.000 2.001 259 K HA -0.141 4.179 4.320 0.000 0.000 0.208 259 K C 1.974 178.491 176.600 -0.138 0.000 1.048 259 K CA 1.748 57.968 56.287 -0.111 0.000 0.932 259 K CB -0.547 31.885 32.500 -0.114 0.000 0.715 259 K HN 0.224 nan 8.250 nan 0.000 0.437 260 V N 1.980 121.853 119.914 -0.068 0.000 2.324 260 V HA -0.259 3.861 4.120 0.000 0.000 0.250 260 V C 2.265 178.308 176.094 -0.084 0.000 1.060 260 V CA 1.735 63.998 62.300 -0.060 0.000 1.042 260 V CB -0.326 31.482 31.823 -0.025 0.000 0.650 260 V HN 0.346 nan 8.190 nan 0.000 0.450 261 L N 0.092 121.253 121.223 -0.103 0.000 2.554 261 L HA 0.238 4.579 4.340 0.000 0.000 0.226 261 L C 1.618 178.386 176.870 -0.170 0.000 1.137 261 L CA 0.752 55.519 54.840 -0.122 0.000 0.863 261 L CB -0.601 41.383 42.059 -0.124 0.000 0.985 261 L HN 0.560 nan 8.230 nan 0.000 0.451 262 G N 0.802 109.476 108.800 -0.211 0.000 2.273 262 G HA2 -0.246 3.714 3.960 0.000 0.000 0.280 262 G HA3 -0.246 3.714 3.960 0.000 0.000 0.280 262 G C 0.194 174.905 174.900 -0.315 0.000 1.047 262 G CA 0.168 45.123 45.100 -0.241 0.000 0.869 262 G HN 0.117 nan 8.290 nan 0.000 0.502 263 V N -0.128 119.471 119.914 -0.525 0.000 2.843 263 V HA 0.431 4.551 4.120 0.000 0.000 0.305 263 V C 1.083 176.827 176.094 -0.583 0.000 1.065 263 V CA 0.212 62.119 62.300 -0.654 0.000 1.116 263 V CB 0.937 32.099 31.823 -1.102 0.000 0.968 263 V HN 0.553 nan 8.190 nan 0.000 0.487 264 R N 1.930 122.251 120.500 -0.298 0.000 2.803 264 R HA 0.684 5.024 4.340 0.000 0.000 0.276 264 R C 1.009 177.290 176.300 -0.031 0.000 0.978 264 R CA -0.089 55.934 56.100 -0.129 0.000 0.939 264 R CB 1.747 31.965 30.300 -0.137 0.000 1.179 264 R HN 0.933 nan 8.270 nan 0.000 0.472 265 G N 1.704 110.526 108.800 0.037 0.000 5.452 265 G HA2 -0.363 3.597 3.960 0.000 0.000 0.310 265 G HA3 -0.363 3.597 3.960 0.000 0.000 0.310 265 G C 0.036 175.025 174.900 0.149 0.000 1.392 265 G CA 0.852 45.966 45.100 0.024 0.000 0.942 265 G HN 0.677 nan 8.290 nan 0.000 0.776 266 M N -1.828 117.886 119.600 0.189 0.000 3.084 266 M HA 0.796 5.276 4.480 0.000 0.000 0.273 266 M C -0.970 175.530 176.300 0.333 0.000 1.242 266 M CA -0.261 55.208 55.300 0.283 0.000 0.819 266 M CB 1.720 34.365 32.600 0.075 0.000 1.625 266 M HN 2.362 nan 8.290 nan 0.000 0.493 267 A N 0.945 123.970 122.820 0.341 0.000 2.585 267 A HA 0.653 4.973 4.320 0.000 0.000 0.299 267 A C -1.941 175.841 177.584 0.329 0.000 1.047 267 A CA -0.730 51.482 52.037 0.291 0.000 0.723 267 A CB 1.604 20.868 19.000 0.439 0.000 1.275 267 A HN 0.901 nan 8.150 nan 0.000 0.408 268 R N 1.820 122.458 120.500 0.230 0.000 2.310 268 R HA 0.600 4.940 4.340 0.000 0.000 0.324 268 R C -1.385 175.001 176.300 0.143 0.000 0.955 268 R CA -0.331 55.930 56.100 0.269 0.000 0.830 268 R CB 1.135 31.580 30.300 0.242 0.000 1.154 268 R HN 0.568 nan 8.270 nan 0.000 0.458 269 V N 4.707 124.706 119.914 0.142 0.000 2.383 269 V HA 0.206 4.326 4.120 0.000 0.000 0.275 269 V C -0.378 175.725 176.094 0.014 0.000 1.036 269 V CA -0.671 61.651 62.300 0.036 0.000 0.889 269 V CB 1.421 33.305 31.823 0.101 0.000 0.985 269 V HN 0.701 nan 8.190 nan 0.000 0.459 270 D N 4.709 125.004 120.400 -0.174 0.000 2.233 270 D HA 0.565 5.205 4.640 0.000 0.000 0.240 270 D C -0.594 175.474 176.300 -0.388 0.000 1.074 270 D CA 0.052 53.951 54.000 -0.167 0.000 0.838 270 D CB 1.632 42.312 40.800 -0.200 0.000 1.124 270 D HN 0.259 nan 8.370 nan 0.000 0.475 271 F N 0.948 120.775 119.950 -0.205 0.000 2.556 271 F HA 0.502 5.029 4.527 0.000 0.000 0.327 271 F C -0.020 175.676 175.800 -0.173 0.000 1.059 271 F CA -1.000 56.885 58.000 -0.192 0.000 0.953 271 F CB 1.121 40.088 39.000 -0.055 0.000 1.227 271 F HN 0.098 nan 8.300 nan 0.000 0.478 272 F N 2.230 122.341 119.950 0.269 0.000 2.469 272 F HA 0.602 5.129 4.527 0.000 0.000 0.332 272 F C -0.592 175.357 175.800 0.247 0.000 1.103 272 F CA -1.188 56.923 58.000 0.185 0.000 0.979 272 F CB 1.679 40.741 39.000 0.103 0.000 1.137 272 F HN 0.092 nan 8.300 nan 0.000 0.463 273 L N 3.375 124.825 121.223 0.378 0.000 2.349 273 L HA 0.886 5.226 4.340 0.000 0.000 0.278 273 L C -1.153 175.837 176.870 0.201 0.000 0.996 273 L CA -0.626 54.362 54.840 0.246 0.000 0.825 273 L CB 1.171 43.316 42.059 0.143 0.000 1.243 273 L HN 0.639 nan 8.230 nan 0.000 0.412 274 A N 3.656 126.602 122.820 0.210 0.000 2.456 274 A HA 0.670 4.990 4.320 0.000 0.000 0.288 274 A C -0.340 177.327 177.584 0.138 0.000 1.042 274 A CA -0.347 51.779 52.037 0.148 0.000 0.738 274 A CB 0.817 19.891 19.000 0.124 0.000 1.266 274 A HN 0.717 nan 8.150 nan 0.000 0.407 275 E N 1.151 121.401 120.200 0.083 0.000 2.513 275 E HA -0.254 4.096 4.350 0.000 0.000 0.257 275 E C 1.109 177.741 176.600 0.054 0.000 1.098 275 E CA 2.028 58.466 56.400 0.064 0.000 0.752 275 E CB -1.687 28.056 29.700 0.071 0.000 1.324 275 E HN 2.473 nan 8.360 nan 0.000 0.403 276 G N -0.532 108.295 108.800 0.045 0.000 2.245 276 G HA2 -0.384 3.576 3.960 0.000 0.000 0.264 276 G HA3 -0.384 3.576 3.960 0.000 0.000 0.264 276 G C 0.218 175.121 174.900 0.006 0.000 0.985 276 G CA 0.884 45.996 45.100 0.021 0.000 0.625 276 G HN 0.329 nan 8.290 nan 0.000 0.536 277 E N 0.159 120.374 120.200 0.025 0.000 2.266 277 E HA 0.719 5.069 4.350 0.000 0.000 0.277 277 E C 0.511 177.061 176.600 -0.083 0.000 1.018 277 E CA -0.478 55.883 56.400 -0.066 0.000 0.840 277 E CB 0.763 30.418 29.700 -0.074 0.000 1.082 277 E HN 0.359 nan 8.360 nan 0.000 0.395 278 L N 3.635 124.726 121.223 -0.220 0.000 2.344 278 L HA 0.517 4.857 4.340 0.000 0.000 0.272 278 L C -0.952 175.740 176.870 -0.297 0.000 1.035 278 L CA -0.842 53.949 54.840 -0.082 0.000 0.807 278 L CB 0.817 42.859 42.059 -0.029 0.000 1.237 278 L HN 0.581 nan 8.230 nan 0.000 0.442 279 Y N 1.655 122.104 120.300 0.248 0.000 2.401 279 Y HA 0.324 4.874 4.550 0.000 0.000 0.330 279 Y C -0.516 175.433 175.900 0.083 0.000 1.071 279 Y CA -0.525 57.680 58.100 0.175 0.000 1.049 279 Y CB 1.792 40.365 38.460 0.189 0.000 1.239 279 Y HN 0.334 nan 8.280 nan 0.000 0.437 280 L N 3.465 124.701 121.223 0.022 0.000 2.315 280 L HA 0.274 4.614 4.340 0.000 0.000 0.283 280 L C 0.603 177.235 176.870 -0.396 0.000 1.089 280 L CA 0.124 54.657 54.840 -0.512 0.000 0.833 280 L CB 0.628 42.351 42.059 -0.559 0.000 1.170 280 L HN 0.857 nan 8.230 nan 0.000 0.442 281 N N 3.693 122.060 118.700 -0.555 0.000 2.220 281 N HA -0.014 4.726 4.740 0.000 0.000 0.182 281 N C -0.204 175.068 175.510 -0.395 0.000 1.023 281 N CA 0.783 53.522 53.050 -0.518 0.000 0.856 281 N CB 0.432 38.325 38.487 -0.990 0.000 0.997 281 N HN 0.747 nan 8.380 nan 0.000 0.429 282 E N -1.094 118.864 120.200 -0.404 0.000 2.380 282 E HA 0.299 4.649 4.350 0.000 0.000 0.281 282 E C -1.942 174.524 176.600 -0.224 0.000 0.999 282 E CA -0.631 55.606 56.400 -0.272 0.000 0.800 282 E CB 0.743 30.319 29.700 -0.206 0.000 1.228 282 E HN 0.040 nan 8.360 nan 0.000 0.436 283 L N 3.343 124.478 121.223 -0.148 0.000 2.298 283 L HA 0.433 4.773 4.340 0.000 0.000 0.284 283 L C -0.430 176.420 176.870 -0.033 0.000 1.013 283 L CA -0.541 54.257 54.840 -0.069 0.000 0.824 283 L CB 1.379 43.413 42.059 -0.043 0.000 1.221 283 L HN 0.372 nan 8.230 nan 0.000 0.418 284 N N 1.548 120.251 118.700 0.006 0.000 2.426 284 N HA 0.169 4.909 4.740 0.000 0.000 0.257 284 N C 0.885 176.425 175.510 0.049 0.000 1.002 284 N CA -0.024 53.041 53.050 0.025 0.000 0.942 284 N CB 1.892 40.402 38.487 0.038 0.000 1.112 284 N HN 0.674 nan 8.380 nan 0.000 0.499 285 T N -0.911 113.665 114.554 0.037 0.000 2.985 285 T HA 0.133 4.483 4.350 0.000 0.000 0.266 285 T C 0.989 175.717 174.700 0.048 0.000 1.076 285 T CA 0.751 62.872 62.100 0.034 0.000 1.135 285 T CB 0.167 69.040 68.868 0.009 0.000 0.890 285 T HN 0.425 nan 8.240 nan 0.000 0.480 286 I N 3.423 124.047 120.570 0.091 0.000 2.698 286 I HA 0.342 4.512 4.170 0.000 0.000 0.276 286 I C -2.658 173.639 176.117 0.299 0.000 1.166 286 I CA -2.492 58.895 61.300 0.145 0.000 1.101 286 I CB 2.011 40.058 38.000 0.078 0.000 1.305 286 I HN 0.037 nan 8.210 nan 0.000 0.526 287 P HA 0.157 nan 4.420 nan 0.000 0.276 287 P C 0.362 177.876 177.300 0.357 0.000 1.252 287 P CA -0.060 63.174 63.100 0.223 0.000 0.802 287 P CB 0.864 32.640 31.700 0.127 0.000 1.035 288 G N 0.234 109.096 108.800 0.103 0.000 2.265 288 G HA2 -0.002 3.958 3.960 0.000 0.000 0.240 288 G HA3 -0.002 3.958 3.960 0.000 0.000 0.240 288 G C -0.542 174.532 174.900 0.289 0.000 1.270 288 G CA -0.160 45.003 45.100 0.105 0.000 0.901 288 G HN 0.424 nan 8.290 nan 0.000 0.507 289 F N 1.280 121.354 119.950 0.208 0.000 2.855 289 F HA 0.279 4.806 4.527 0.000 0.000 0.317 289 F C 1.442 177.409 175.800 0.280 0.000 1.169 289 F CA -0.412 57.747 58.000 0.265 0.000 1.299 289 F CB 0.787 39.932 39.000 0.243 0.000 0.962 289 F HN 0.446 nan 8.300 nan 0.000 0.506 290 T N 0.873 115.556 114.554 0.215 0.000 2.868 290 T HA 0.130 4.481 4.350 0.000 0.000 0.292 290 T C -1.442 173.218 174.700 -0.066 0.000 1.028 290 T CA -1.440 60.726 62.100 0.111 0.000 1.059 290 T CB 1.400 70.294 68.868 0.043 0.000 0.991 290 T HN -0.058 nan 8.240 nan 0.000 0.531 291 P HA -0.041 nan 4.420 nan 0.000 0.220 291 P C 0.956 178.064 177.300 -0.319 0.000 1.144 291 P CA 1.045 63.761 63.100 -0.639 0.000 0.800 291 P CB 0.036 31.357 31.700 -0.633 0.000 0.772 292 T N -6.067 108.383 114.554 -0.174 0.000 3.134 292 T HA 0.273 4.623 4.350 0.000 0.000 0.260 292 T C 0.664 175.317 174.700 -0.079 0.000 1.027 292 T CA -0.339 61.691 62.100 -0.116 0.000 0.913 292 T CB -0.397 68.419 68.868 -0.087 0.000 1.046 292 T HN -0.167 nan 8.240 nan 0.000 0.553 293 S N 1.585 117.246 115.700 -0.064 0.000 2.632 293 S HA 0.407 4.877 4.470 0.000 0.000 0.267 293 S C 1.210 175.792 174.600 -0.031 0.000 1.276 293 S CA -0.735 57.446 58.200 -0.032 0.000 0.998 293 S CB 1.101 64.302 63.200 0.003 0.000 0.953 293 S HN 0.284 nan 8.310 nan 0.000 0.547 294 M N 1.598 121.192 119.600 -0.010 0.000 2.065 294 M HA -0.103 4.377 4.480 0.000 0.000 0.259 294 M C 1.670 177.977 176.300 0.011 0.000 1.069 294 M CA 1.784 57.078 55.300 -0.009 0.000 1.110 294 M CB -1.021 31.582 32.600 0.004 0.000 1.328 294 M HN 0.807 nan 8.290 nan 0.000 0.405 295 Y N 0.553 120.822 120.300 -0.052 0.000 2.053 295 Y HA -0.200 4.350 4.550 0.000 0.000 0.277 295 Y C -0.901 174.992 175.900 -0.011 0.000 1.159 295 Y CA 2.699 60.787 58.100 -0.019 0.000 1.125 295 Y CB -1.941 36.489 38.460 -0.048 0.000 0.969 295 Y HN 0.244 nan 8.280 nan 0.000 0.492 296 P HA -0.167 nan 4.420 nan 0.000 0.215 296 P C 1.262 178.546 177.300 -0.028 0.000 1.157 296 P CA 2.433 65.518 63.100 -0.025 0.000 0.868 296 P CB -0.086 31.641 31.700 0.046 0.000 0.788 297 R N -1.362 119.099 120.500 -0.066 0.000 2.120 297 R HA -0.077 4.264 4.340 0.000 0.000 0.234 297 R C 2.046 178.284 176.300 -0.104 0.000 1.123 297 R CA 0.810 56.864 56.100 -0.077 0.000 0.975 297 R CB -0.958 29.293 30.300 -0.081 0.000 0.866 297 R HN 0.133 nan 8.270 nan 0.000 0.446 298 L N -0.582 120.548 121.223 -0.156 0.000 1.994 298 L HA -0.115 4.225 4.340 0.000 0.000 0.208 298 L C 1.821 178.496 176.870 -0.326 0.000 1.071 298 L CA 1.722 56.408 54.840 -0.257 0.000 0.745 298 L CB -0.666 41.191 42.059 -0.337 0.000 0.892 298 L HN 0.052 nan 8.230 nan 0.000 0.431 299 F N -0.103 119.686 119.950 -0.268 0.000 2.407 299 F HA -0.125 4.402 4.527 0.000 0.000 0.299 299 F C 2.494 178.222 175.800 -0.120 0.000 1.097 299 F CA 1.060 58.930 58.000 -0.216 0.000 1.422 299 F CB -0.229 38.598 39.000 -0.289 0.000 1.067 299 F HN 0.286 nan 8.300 nan 0.000 0.539 300 E N 0.424 120.648 120.200 0.040 0.000 2.028 300 E HA -0.191 4.159 4.350 0.000 0.000 0.191 300 E C 2.344 178.936 176.600 -0.013 0.000 0.988 300 E CA 1.049 57.463 56.400 0.024 0.000 0.799 300 E CB -0.184 29.512 29.700 -0.007 0.000 0.755 300 E HN 0.262 nan 8.360 nan 0.000 0.447 301 A N 0.493 123.279 122.820 -0.057 0.000 2.125 301 A HA -0.048 4.272 4.320 0.000 0.000 0.219 301 A C 2.128 179.666 177.584 -0.078 0.000 1.156 301 A CA 1.377 53.370 52.037 -0.072 0.000 0.671 301 A CB -0.596 18.345 19.000 -0.099 0.000 0.794 301 A HN 0.408 nan 8.150 nan 0.000 0.459 302 G N -2.091 106.657 108.800 -0.086 0.000 3.042 302 G HA2 0.384 4.344 3.960 0.000 0.000 0.212 302 G HA3 0.384 4.344 3.960 0.000 0.000 0.212 302 G C 1.029 175.936 174.900 0.012 0.000 1.166 302 G CA 0.428 45.483 45.100 -0.075 0.000 0.767 302 G HN 1.570 nan 8.290 nan 0.000 0.546 303 G N -1.174 107.640 108.800 0.024 0.000 2.132 303 G HA2 -0.175 3.785 3.960 0.000 0.000 0.228 303 G HA3 -0.175 3.785 3.960 0.000 0.000 0.228 303 G C -0.085 174.854 174.900 0.065 0.000 1.000 303 G CA 0.055 45.177 45.100 0.037 0.000 0.693 303 G HN 0.837 nan 8.290 nan 0.000 0.515 304 V N 0.972 120.946 119.914 0.100 0.000 2.340 304 V HA 0.740 4.860 4.120 0.000 0.000 0.277 304 V C 0.848 176.996 176.094 0.090 0.000 1.017 304 V CA -0.557 61.801 62.300 0.097 0.000 0.820 304 V CB 0.937 32.835 31.823 0.125 0.000 1.028 304 V HN 1.186 nan 8.190 nan 0.000 0.436 305 A N 3.024 125.887 122.820 0.071 0.000 2.507 305 A HA 0.216 4.536 4.320 0.000 0.000 0.235 305 A C 0.929 178.588 177.584 0.126 0.000 1.070 305 A CA 0.234 52.323 52.037 0.087 0.000 0.768 305 A CB -0.036 19.006 19.000 0.069 0.000 1.011 305 A HN 0.838 nan 8.150 nan 0.000 0.502 306 Y N 2.714 123.005 120.300 -0.015 0.000 2.102 306 Y HA -0.182 4.368 4.550 0.000 0.000 0.280 306 Y C -0.747 175.192 175.900 0.065 0.000 1.178 306 Y CA 3.033 61.130 58.100 -0.006 0.000 1.146 306 Y CB -1.301 37.077 38.460 -0.137 0.000 0.968 306 Y HN 0.546 nan 8.280 nan 0.000 0.504 307 P HA -0.157 nan 4.420 nan 0.000 0.216 307 P C 1.411 178.716 177.300 0.009 0.000 1.153 307 P CA 2.187 65.322 63.100 0.059 0.000 0.848 307 P CB -0.001 31.760 31.700 0.101 0.000 0.787 308 E N -0.381 119.833 120.200 0.023 0.000 2.106 308 E HA -0.165 4.186 4.350 0.000 0.000 0.192 308 E C 1.777 178.383 176.600 0.011 0.000 0.984 308 E CA 0.778 57.187 56.400 0.014 0.000 0.806 308 E CB -1.191 28.521 29.700 0.021 0.000 0.750 308 E HN -0.003 nan 8.360 nan 0.000 0.458 309 L N 0.056 121.282 121.223 0.005 0.000 2.017 309 L HA -0.086 4.254 4.340 0.000 0.000 0.208 309 L C 2.104 179.006 176.870 0.052 0.000 1.073 309 L CA 1.664 56.499 54.840 -0.008 0.000 0.745 309 L CB -0.457 41.612 42.059 0.016 0.000 0.894 309 L HN 0.258 nan 8.230 nan 0.000 0.432 310 L N -0.837 120.417 121.223 0.051 0.000 2.056 310 L HA -0.184 4.156 4.340 0.000 0.000 0.207 310 L C 2.792 179.760 176.870 0.164 0.000 1.078 310 L CA 1.463 56.371 54.840 0.113 0.000 0.749 310 L CB -0.637 41.463 42.059 0.068 0.000 0.901 310 L HN 0.302 nan 8.230 nan 0.000 0.433 311 R N 0.518 121.104 120.500 0.143 0.000 2.091 311 R HA -0.168 4.172 4.340 0.000 0.000 0.238 311 R C 2.488 178.916 176.300 0.213 0.000 1.136 311 R CA 1.492 57.746 56.100 0.257 0.000 0.959 311 R CB -0.039 30.301 30.300 0.067 0.000 0.856 311 R HN 0.295 nan 8.270 nan 0.000 0.437 312 R N 0.088 120.642 120.500 0.090 0.000 2.075 312 R HA -0.065 4.275 4.340 0.000 0.000 0.232 312 R C 2.433 178.734 176.300 0.001 0.000 1.126 312 R CA 1.297 57.420 56.100 0.038 0.000 0.963 312 R CB -0.350 29.945 30.300 -0.009 0.000 0.858 312 R HN 0.241 nan 8.270 nan 0.000 0.435 313 L N 0.298 121.509 121.223 -0.019 0.000 2.042 313 L HA -0.201 4.139 4.340 0.000 0.000 0.210 313 L C 2.341 179.109 176.870 -0.171 0.000 1.076 313 L CA 1.093 55.864 54.840 -0.115 0.000 0.749 313 L CB -0.408 41.538 42.059 -0.188 0.000 0.893 313 L HN 0.054 nan 8.230 nan 0.000 0.432 314 V N -0.736 119.116 119.914 -0.105 0.000 2.358 314 V HA -0.199 3.921 4.120 0.000 0.000 0.246 314 V C 2.493 178.494 176.094 -0.155 0.000 1.047 314 V CA 1.467 63.670 62.300 -0.161 0.000 1.035 314 V CB -0.428 31.294 31.823 -0.167 0.000 0.658 314 V HN 0.402 nan 8.190 nan 0.000 0.452 315 E N 0.221 120.380 120.200 -0.069 0.000 2.110 315 E HA -0.148 4.202 4.350 0.000 0.000 0.193 315 E C 2.200 178.761 176.600 -0.065 0.000 0.988 315 E CA 1.021 57.389 56.400 -0.053 0.000 0.804 315 E CB -0.374 29.338 29.700 0.021 0.000 0.745 315 E HN 0.507 nan 8.360 nan 0.000 0.458 316 L N 0.491 121.675 121.223 -0.065 0.000 2.191 316 L HA -0.142 4.199 4.340 0.000 0.000 0.212 316 L C 2.368 179.175 176.870 -0.106 0.000 1.103 316 L CA 0.960 55.761 54.840 -0.065 0.000 0.769 316 L CB -0.442 41.586 42.059 -0.052 0.000 0.908 316 L HN 0.051 nan 8.230 nan 0.000 0.438 317 A N -0.305 122.428 122.820 -0.146 0.000 2.067 317 A HA -0.074 4.246 4.320 0.000 0.000 0.219 317 A C 2.116 179.605 177.584 -0.158 0.000 1.158 317 A CA 1.089 53.014 52.037 -0.187 0.000 0.661 317 A CB -0.388 18.493 19.000 -0.199 0.000 0.801 317 A HN 0.427 nan 8.150 nan 0.000 0.452 318 L N -0.239 120.913 121.223 -0.118 0.000 2.529 318 L HA 0.074 4.414 4.340 0.000 0.000 0.223 318 L C 1.235 178.062 176.870 -0.073 0.000 1.113 318 L CA 0.674 55.458 54.840 -0.093 0.000 0.861 318 L CB -0.253 41.757 42.059 -0.081 0.000 1.012 318 L HN 0.494 nan 8.230 nan 0.000 0.461 319 T N 0.000 114.514 114.554 -0.067 0.000 3.816 319 T HA 0.000 4.350 4.350 0.000 0.000 0.228 319 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 319 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658