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 3nv8_1_B DATA FIRST_RESID -1 DATA SEQUENCE GAMNWTVDIP IDQLPSLPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAM DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDCA ETFMDNTEPH DATA SEQUENCE IRGNVRALLQ MAVVLTYGAS MPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDMINGFAPD AAAREHDPSR LVRAYANASA AMNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFM SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAM LRLSDGDDGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNMTPELAVE YVERLDPHNK PGRLTLVSRM GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPM HGNTHESSTG FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT ECLGGAQDIS ETDLAGRYET ACDPRLNTQQ DATA SEQUENCE SLELAFLVAE MLRD 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.837 174.900 -0.106 0.000 0.946 -1 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 0 A N 1.566 124.286 122.820 -0.165 0.000 2.125 0 A HA 0.034 4.354 4.320 -0.000 0.000 0.219 0 A C 2.204 179.546 177.584 -0.402 0.000 1.156 0 A CA 2.029 53.875 52.037 -0.317 0.000 0.671 0 A CB -0.158 18.648 19.000 -0.323 0.000 0.794 0 A HN 0.713 nan 8.150 nan 0.000 0.459 1 M N -0.101 119.372 119.600 -0.213 0.000 2.108 1 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 1 M C 0.852 177.129 176.300 -0.039 0.000 1.066 1 M CA 1.728 56.952 55.300 -0.126 0.000 1.107 1 M CB -0.259 32.306 32.600 -0.059 0.000 1.356 1 M HN 0.382 nan 8.290 nan 0.000 0.406 2 N N -1.749 116.946 118.700 -0.008 0.000 2.268 2 N HA 0.080 4.820 4.740 -0.000 0.000 0.204 2 N C -1.143 174.497 175.510 0.217 0.000 1.124 2 N CA 0.187 53.298 53.050 0.102 0.000 0.838 2 N CB -0.102 38.423 38.487 0.063 0.000 0.994 2 N HN 0.410 nan 8.380 nan 0.000 0.489 3 W N 0.446 121.747 121.300 0.001 0.000 5.692 3 W HA -0.274 4.386 4.660 -0.000 0.000 0.371 3 W C 0.049 176.567 176.519 -0.002 0.000 1.354 3 W CA 0.811 58.156 57.345 0.001 0.000 0.955 3 W CB -2.359 27.104 29.460 0.006 0.000 2.465 3 W HN 0.028 nan 8.180 nan 0.000 1.554 4 T N -3.360 111.256 114.554 0.103 0.000 2.908 4 T HA 0.758 5.108 4.350 -0.000 0.000 0.290 4 T C -0.401 174.304 174.700 0.009 0.000 1.034 4 T CA -1.092 61.046 62.100 0.064 0.000 1.010 4 T CB 2.367 71.265 68.868 0.050 0.000 1.068 4 T HN -0.117 nan 8.240 nan 0.000 0.481 5 V N 2.616 122.534 119.914 0.007 0.000 2.407 5 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 5 V C -0.606 175.480 176.094 -0.012 0.000 1.037 5 V CA -0.598 61.695 62.300 -0.012 0.000 0.900 5 V CB 1.261 33.078 31.823 -0.010 0.000 0.983 5 V HN 0.915 nan 8.190 nan 0.000 0.459 6 D N 5.284 125.674 120.400 -0.018 0.000 2.329 6 D HA 0.514 5.154 4.640 -0.000 0.000 0.232 6 D C -0.379 175.910 176.300 -0.019 0.000 1.088 6 D CA 0.042 54.032 54.000 -0.017 0.000 0.835 6 D CB 1.812 42.601 40.800 -0.018 0.000 1.078 6 D HN 0.320 nan 8.370 nan 0.000 0.495 7 I N 3.704 124.261 120.570 -0.021 0.000 2.362 7 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 7 I C -2.073 174.029 176.117 -0.025 0.000 0.994 7 I CA -1.800 59.486 61.300 -0.024 0.000 1.158 7 I CB 1.574 39.558 38.000 -0.027 0.000 1.315 7 I HN 0.061 nan 8.210 nan 0.000 0.451 8 P HA 0.463 nan 4.420 nan 0.000 0.288 8 P C 0.330 177.614 177.300 -0.026 0.000 1.267 8 P CA -0.470 62.616 63.100 -0.023 0.000 0.815 8 P CB 1.617 33.305 31.700 -0.020 0.000 0.989 9 I N 0.942 121.496 120.570 -0.027 0.000 3.645 9 I HA -0.055 4.115 4.170 -0.000 0.000 0.300 9 I C 1.161 177.263 176.117 -0.025 0.000 1.260 9 I CA 0.508 61.790 61.300 -0.030 0.000 1.365 9 I CB -0.254 37.727 38.000 -0.032 0.000 1.077 9 I HN 0.365 nan 8.210 nan 0.000 0.439 10 D N 1.263 121.651 120.400 -0.021 0.000 2.219 10 D HA -0.185 4.455 4.640 -0.000 0.000 0.205 10 D C 1.713 178.003 176.300 -0.017 0.000 0.970 10 D CA 1.042 55.032 54.000 -0.017 0.000 0.851 10 D CB -0.236 40.555 40.800 -0.015 0.000 0.943 10 D HN 0.328 nan 8.370 nan 0.000 0.488 11 Q N 0.614 120.404 119.800 -0.018 0.000 2.375 11 Q HA 0.463 4.803 4.340 -0.000 0.000 0.316 11 Q C 0.128 176.117 176.000 -0.019 0.000 0.927 11 Q CA -0.215 55.578 55.803 -0.017 0.000 1.029 11 Q CB -0.677 28.052 28.738 -0.015 0.000 1.202 11 Q HN 0.425 nan 8.270 nan 0.000 0.431 12 L N 2.560 123.770 121.223 -0.022 0.000 2.264 12 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 12 L C -2.080 174.777 176.870 -0.022 0.000 1.039 12 L CA -1.860 52.965 54.840 -0.025 0.000 0.829 12 L CB 1.557 43.597 42.059 -0.032 0.000 1.211 12 L HN 0.344 nan 8.230 nan 0.000 0.427 13 P HA 0.174 nan 4.420 nan 0.000 0.292 13 P C -0.133 177.158 177.300 -0.016 0.000 1.287 13 P CA -0.416 62.674 63.100 -0.016 0.000 0.800 13 P CB 1.685 33.376 31.700 -0.014 0.000 0.945 14 S N 2.151 117.843 115.700 -0.013 0.000 2.643 14 S HA -0.012 4.458 4.470 -0.000 0.000 0.310 14 S C 0.250 174.843 174.600 -0.012 0.000 1.253 14 S CA 0.061 58.254 58.200 -0.012 0.000 1.047 14 S CB -0.540 62.654 63.200 -0.009 0.000 0.767 14 S HN 0.272 nan 8.310 nan 0.000 0.498 15 L N 6.101 127.317 121.223 -0.012 0.000 2.334 15 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 15 L C -1.830 175.036 176.870 -0.007 0.000 1.036 15 L CA -2.238 52.595 54.840 -0.011 0.000 0.807 15 L CB 0.320 42.370 42.059 -0.014 0.000 1.231 15 L HN 0.458 nan 8.230 nan 0.000 0.438 16 P HA -0.003 nan 4.420 nan 0.000 0.261 16 P C -2.333 174.966 177.300 -0.001 0.000 1.165 16 P CA -0.391 62.707 63.100 -0.002 0.000 0.759 16 P CB -0.378 31.321 31.700 -0.001 0.000 0.772 17 P HA 0.109 nan 4.420 nan 0.000 0.271 17 P C -0.162 177.139 177.300 0.003 0.000 1.216 17 P CA -0.103 62.997 63.100 0.001 0.000 0.776 17 P CB 0.583 32.284 31.700 0.001 0.000 0.881 18 L N 4.055 125.280 121.223 0.004 0.000 2.514 18 L HA 0.082 4.422 4.340 -0.000 0.000 0.280 18 L C -1.609 175.262 176.870 0.003 0.000 1.223 18 L CA -1.571 53.271 54.840 0.004 0.000 0.864 18 L CB -0.943 41.118 42.059 0.003 0.000 1.118 18 L HN 0.271 nan 8.230 nan 0.000 0.494 19 P HA -0.076 nan 4.420 nan 0.000 0.261 19 P C 0.692 177.992 177.300 -0.001 0.000 1.158 19 P CA 0.337 63.438 63.100 0.001 0.000 0.758 19 P CB 0.395 32.095 31.700 0.000 0.000 0.763 20 T N 1.393 115.947 114.554 0.000 0.000 2.665 20 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 20 T C 1.314 176.013 174.700 -0.001 0.000 1.035 20 T CA 1.978 64.078 62.100 0.000 0.000 1.151 20 T CB -0.679 68.190 68.868 0.001 0.000 0.862 20 T HN 0.628 nan 8.240 nan 0.000 0.438 21 D N 1.144 121.543 120.400 -0.002 0.000 2.178 21 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 21 D C 1.967 178.262 176.300 -0.008 0.000 0.980 21 D CA 0.734 54.731 54.000 -0.004 0.000 0.842 21 D CB -0.456 40.342 40.800 -0.004 0.000 0.948 21 D HN 0.237 nan 8.370 nan 0.000 0.472 22 L N 0.570 121.787 121.223 -0.010 0.000 2.072 22 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 22 L C 2.539 179.401 176.870 -0.014 0.000 1.079 22 L CA 0.906 55.734 54.840 -0.019 0.000 0.752 22 L CB -1.287 40.760 42.059 -0.021 0.000 0.906 22 L HN 0.008 nan 8.230 nan 0.000 0.436 23 R N -0.108 120.389 120.500 -0.005 0.000 2.096 23 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 23 R C 2.134 178.437 176.300 0.004 0.000 1.139 23 R CA 2.417 58.518 56.100 0.002 0.000 0.952 23 R CB -1.174 29.128 30.300 0.003 0.000 0.854 23 R HN 0.312 nan 8.270 nan 0.000 0.436 24 T N 0.619 115.174 114.554 0.002 0.000 2.746 24 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 24 T C 1.849 176.551 174.700 0.004 0.000 1.039 24 T CA 1.790 63.892 62.100 0.004 0.000 1.142 24 T CB -0.171 68.699 68.868 0.002 0.000 0.866 24 T HN 0.353 nan 8.240 nan 0.000 0.444 25 R N 0.151 120.649 120.500 -0.003 0.000 2.115 25 R HA 0.110 4.450 4.340 -0.000 0.000 0.226 25 R C 2.295 178.595 176.300 -0.000 0.000 1.100 25 R CA 0.582 56.678 56.100 -0.006 0.000 0.980 25 R CB -0.359 29.930 30.300 -0.019 0.000 0.875 25 R HN 0.227 nan 8.270 nan 0.000 0.445 26 L N 1.223 122.447 121.223 0.001 0.000 2.044 26 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 26 L C 1.181 178.078 176.870 0.045 0.000 1.075 26 L CA 1.941 56.794 54.840 0.020 0.000 0.747 26 L CB -0.426 41.644 42.059 0.018 0.000 0.903 26 L HN -0.011 nan 8.230 nan 0.000 0.435 27 D N 0.353 120.773 120.400 0.032 0.000 2.123 27 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 27 D C 2.233 178.551 176.300 0.030 0.000 0.992 27 D CA 1.622 55.641 54.000 0.031 0.000 0.833 27 D CB -0.349 40.464 40.800 0.022 0.000 0.954 27 D HN 0.503 nan 8.370 nan 0.000 0.455 28 A N 1.085 123.919 122.820 0.024 0.000 1.892 28 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 28 A C 2.332 179.934 177.584 0.030 0.000 1.188 28 A CA 2.640 54.690 52.037 0.022 0.000 0.631 28 A CB -0.806 18.203 19.000 0.015 0.000 0.822 28 A HN 0.265 nan 8.150 nan 0.000 0.447 29 A N -0.450 122.396 122.820 0.043 0.000 1.873 29 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 29 A C 2.036 179.656 177.584 0.061 0.000 1.186 29 A CA 1.381 53.456 52.037 0.064 0.000 0.616 29 A CB -0.559 18.501 19.000 0.100 0.000 0.823 29 A HN 0.469 nan 8.150 nan 0.000 0.442 30 L N -0.759 120.503 121.223 0.065 0.000 2.551 30 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 30 L C 2.477 179.357 176.870 0.017 0.000 1.153 30 L CA 0.550 55.410 54.840 0.033 0.000 0.851 30 L CB -0.308 41.779 42.059 0.046 0.000 0.959 30 L HN 0.437 nan 8.230 nan 0.000 0.451 31 A N -0.494 122.340 122.820 0.022 0.000 2.218 31 A HA 0.060 4.380 4.320 -0.000 0.000 0.209 31 A C 0.963 178.556 177.584 0.015 0.000 1.168 31 A CA 0.101 52.148 52.037 0.017 0.000 0.804 31 A CB -0.045 18.966 19.000 0.018 0.000 0.834 31 A HN 0.199 nan 8.150 nan 0.000 0.482 32 K N 1.180 121.590 120.400 0.016 0.000 2.126 32 K HA 0.359 4.679 4.320 -0.000 0.000 0.257 32 K C -2.527 174.083 176.600 0.016 0.000 1.007 32 K CA -2.041 54.258 56.287 0.020 0.000 0.928 32 K CB 0.358 32.875 32.500 0.029 0.000 1.013 32 K HN 0.079 nan 8.250 nan 0.000 0.473 33 P HA -0.003 nan 4.420 nan 0.000 0.267 33 P C -1.421 175.901 177.300 0.038 0.000 1.200 33 P CA -0.120 62.995 63.100 0.025 0.000 0.772 33 P CB 0.658 32.376 31.700 0.029 0.000 0.855 34 A N 1.819 124.662 122.820 0.037 0.000 2.385 34 A HA 0.638 4.958 4.320 -0.000 0.000 0.290 34 A C -0.146 177.493 177.584 0.091 0.000 1.094 34 A CA -0.651 51.423 52.037 0.062 0.000 0.729 34 A CB 1.050 20.029 19.000 -0.035 0.000 1.194 34 A HN 0.590 nan 8.150 nan 0.000 0.442 35 A N 2.099 125.003 122.820 0.140 0.000 2.351 35 A HA 0.571 4.891 4.320 -0.000 0.000 0.257 35 A C 0.758 178.381 177.584 0.065 0.000 1.087 35 A CA 0.086 52.166 52.037 0.071 0.000 0.798 35 A CB 0.043 19.061 19.000 0.031 0.000 1.033 35 A HN 1.322 nan 8.150 nan 0.000 0.488 36 Q N -1.075 118.729 119.800 0.007 0.000 2.503 36 Q HA -0.139 4.201 4.340 -0.000 0.000 0.267 36 Q C -0.455 175.515 176.000 -0.050 0.000 1.030 36 Q CA 0.964 56.751 55.803 -0.027 0.000 1.041 36 Q CB -1.578 27.130 28.738 -0.051 0.000 1.406 36 Q HN 0.867 nan 8.270 nan 0.000 0.524 37 Q N 0.604 120.374 119.800 -0.051 0.000 2.306 37 Q HA 0.455 4.795 4.340 -0.000 0.000 0.241 37 Q C -1.784 174.084 176.000 -0.220 0.000 0.948 37 Q CA -1.572 54.155 55.803 -0.126 0.000 0.886 37 Q CB 0.220 28.900 28.738 -0.097 0.000 1.227 37 Q HN 0.050 nan 8.270 nan 0.000 0.457 38 P HA 0.052 nan 4.420 nan 0.000 0.272 38 P C 0.101 177.154 177.300 -0.411 0.000 1.240 38 P CA -0.008 62.733 63.100 -0.597 0.000 0.791 38 P CB 0.323 31.009 31.700 -1.690 0.000 0.978 39 T N -3.301 111.195 114.554 -0.096 0.000 3.258 39 T HA 0.285 4.635 4.350 -0.000 0.000 0.259 39 T C -0.123 174.571 174.700 -0.009 0.000 0.963 39 T CA -0.712 61.307 62.100 -0.135 0.000 0.919 39 T CB -1.015 67.742 68.868 -0.184 0.000 1.110 39 T HN 0.384 nan 8.240 nan 0.000 0.550 40 W N 0.958 122.318 121.300 0.100 0.000 2.283 40 W HA 0.711 5.371 4.660 -0.000 0.000 0.341 40 W C -2.833 173.712 176.519 0.042 0.000 1.206 40 W CA -3.923 53.464 57.345 0.071 0.000 1.294 40 W CB -1.096 28.421 29.460 0.095 0.000 1.154 40 W HN -0.093 nan 8.180 nan 0.000 0.613 41 P HA 0.145 nan 4.420 nan 0.000 0.265 41 P C 0.813 178.227 177.300 0.190 0.000 1.193 41 P CA 0.457 63.672 63.100 0.191 0.000 0.765 41 P CB 0.609 32.374 31.700 0.109 0.000 0.823 42 A N 3.617 126.525 122.820 0.146 0.000 1.958 42 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 42 A C 1.745 179.364 177.584 0.058 0.000 1.178 42 A CA 2.206 54.309 52.037 0.110 0.000 0.642 42 A CB -1.045 18.002 19.000 0.078 0.000 0.816 42 A HN 0.688 nan 8.150 nan 0.000 0.453 43 D N -0.779 119.644 120.400 0.038 0.000 2.162 43 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 43 D C 1.861 178.148 176.300 -0.021 0.000 0.967 43 D CA 1.402 55.408 54.000 0.009 0.000 0.840 43 D CB -0.833 39.972 40.800 0.009 0.000 0.972 43 D HN 0.630 nan 8.370 nan 0.000 0.482 44 Q N 0.496 120.275 119.800 -0.036 0.000 2.079 44 Q HA 0.028 4.368 4.340 -0.000 0.000 0.200 44 Q C 2.428 178.324 176.000 -0.173 0.000 0.974 44 Q CA 1.500 57.244 55.803 -0.098 0.000 0.840 44 Q CB -0.249 28.426 28.738 -0.104 0.000 0.898 44 Q HN 0.380 nan 8.270 nan 0.000 0.430 45 A N 1.315 124.022 122.820 -0.189 0.000 1.873 45 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 45 A C 2.088 179.615 177.584 -0.096 0.000 1.193 45 A CA 1.627 53.540 52.037 -0.206 0.000 0.629 45 A CB -0.905 18.100 19.000 0.007 0.000 0.826 45 A HN 0.381 nan 8.150 nan 0.000 0.447 46 L N -0.086 121.114 121.223 -0.039 0.000 1.990 46 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 46 L C 2.653 179.495 176.870 -0.047 0.000 1.072 46 L CA 2.605 57.431 54.840 -0.025 0.000 0.755 46 L CB -1.198 40.857 42.059 -0.007 0.000 0.889 46 L HN 0.387 nan 8.230 nan 0.000 0.432 47 A N -0.691 122.094 122.820 -0.059 0.000 1.892 47 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 47 A C 2.215 179.753 177.584 -0.078 0.000 1.188 47 A CA 2.469 54.469 52.037 -0.062 0.000 0.631 47 A CB -0.569 18.394 19.000 -0.062 0.000 0.822 47 A HN 0.558 nan 8.150 nan 0.000 0.447 48 M N -1.002 118.533 119.600 -0.108 0.000 2.200 48 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 48 M C 2.167 178.415 176.300 -0.088 0.000 1.066 48 M CA 1.191 56.422 55.300 -0.114 0.000 1.127 48 M CB -1.157 31.336 32.600 -0.179 0.000 1.379 48 M HN 0.414 nan 8.290 nan 0.000 0.420 49 R N -0.386 120.071 120.500 -0.072 0.000 2.105 49 R HA -0.114 4.225 4.340 -0.000 0.000 0.239 49 R C 2.136 178.396 176.300 -0.066 0.000 1.135 49 R CA 1.861 57.928 56.100 -0.054 0.000 0.967 49 R CB -0.649 29.637 30.300 -0.023 0.000 0.861 49 R HN 0.377 nan 8.270 nan 0.000 0.442 50 T N 0.494 115.012 114.554 -0.060 0.000 2.821 50 T HA -0.063 4.286 4.350 -0.000 0.000 0.267 50 T C 1.962 176.617 174.700 -0.075 0.000 1.046 50 T CA 0.960 63.025 62.100 -0.058 0.000 1.139 50 T CB -0.078 68.763 68.868 -0.045 0.000 0.871 50 T HN -0.004 nan 8.240 nan 0.000 0.454 51 V N 1.569 121.433 119.914 -0.083 0.000 2.343 51 V HA -0.076 4.044 4.120 -0.000 0.000 0.247 51 V C 2.324 178.329 176.094 -0.148 0.000 1.051 51 V CA 1.438 63.679 62.300 -0.098 0.000 1.036 51 V CB -0.508 31.264 31.823 -0.085 0.000 0.654 51 V HN 0.474 nan 8.190 nan 0.000 0.451 52 L N -0.633 120.488 121.223 -0.170 0.000 2.478 52 L HA -0.059 4.281 4.340 -0.000 0.000 0.223 52 L C 2.302 179.034 176.870 -0.231 0.000 1.140 52 L CA 0.812 55.492 54.840 -0.266 0.000 0.842 52 L CB -0.461 41.452 42.059 -0.243 0.000 0.953 52 L HN 0.393 nan 8.230 nan 0.000 0.452 53 E N 0.066 120.178 120.200 -0.147 0.000 2.268 53 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 53 E C 1.737 178.274 176.600 -0.105 0.000 0.995 53 E CA 1.352 57.689 56.400 -0.106 0.000 0.836 53 E CB 0.208 29.868 29.700 -0.067 0.000 0.763 53 E HN 0.439 nan 8.360 nan 0.000 0.491 54 S N -0.668 114.960 115.700 -0.121 0.000 2.578 54 S HA 0.125 4.595 4.470 -0.000 0.000 0.231 54 S C 0.596 175.126 174.600 -0.117 0.000 0.994 54 S CA -0.433 57.710 58.200 -0.095 0.000 0.956 54 S CB -0.043 63.113 63.200 -0.072 0.000 0.870 54 S HN 0.088 nan 8.310 nan 0.000 0.494 55 V N -0.887 118.905 119.914 -0.203 0.000 3.083 55 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 55 V C -2.901 173.131 176.094 -0.103 0.000 1.077 55 V CA -2.356 59.815 62.300 -0.216 0.000 1.073 55 V CB -0.537 30.954 31.823 -0.554 0.000 1.081 55 V HN -0.027 nan 8.190 nan 0.000 0.474 56 P HA 0.256 nan 4.420 nan 0.000 0.267 56 P C -2.478 174.915 177.300 0.154 0.000 1.209 56 P CA -0.688 62.466 63.100 0.090 0.000 0.763 56 P CB -0.261 31.511 31.700 0.119 0.000 0.816 57 P HA -0.061 nan 4.420 nan 0.000 0.269 57 P C 0.695 178.078 177.300 0.138 0.000 1.217 57 P CA 0.107 63.269 63.100 0.104 0.000 0.783 57 P CB 0.772 32.498 31.700 0.043 0.000 0.898 58 V N 0.471 120.468 119.914 0.138 0.000 2.591 58 V HA -0.041 4.079 4.120 -0.000 0.000 0.249 58 V C 1.451 177.546 176.094 0.001 0.000 1.053 58 V CA 2.288 64.636 62.300 0.080 0.000 1.068 58 V CB -0.960 30.921 31.823 0.096 0.000 0.689 58 V HN 0.839 nan 8.190 nan 0.000 0.462 59 T N -1.516 113.017 114.554 -0.036 0.000 2.906 59 T HA 0.703 5.053 4.350 -0.000 0.000 0.295 59 T C -0.821 173.869 174.700 -0.016 0.000 1.075 59 T CA -0.421 61.623 62.100 -0.094 0.000 1.005 59 T CB 2.126 70.770 68.868 -0.373 0.000 1.136 59 T HN 0.228 nan 8.240 nan 0.000 0.498 60 V N -0.735 119.187 119.914 0.013 0.000 2.667 60 V HA 0.617 4.737 4.120 -0.000 0.000 0.308 60 V C -2.126 173.910 176.094 -0.095 0.000 1.048 60 V CA -2.589 59.688 62.300 -0.038 0.000 0.928 60 V CB 1.272 33.081 31.823 -0.024 0.000 1.004 60 V HN 0.624 nan 8.190 nan 0.000 0.444 61 P HA -0.185 nan 4.420 nan 0.000 0.216 61 P C 1.953 179.062 177.300 -0.318 0.000 1.154 61 P CA 2.492 65.197 63.100 -0.657 0.000 0.865 61 P CB -0.010 31.094 31.700 -0.994 0.000 0.789 62 S N -0.416 115.185 115.700 -0.164 0.000 2.400 62 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 62 S C 1.845 176.459 174.600 0.023 0.000 1.025 62 S CA 1.322 59.488 58.200 -0.057 0.000 0.993 62 S CB -1.211 61.969 63.200 -0.033 0.000 0.808 62 S HN 0.273 nan 8.310 nan 0.000 0.478 63 E N 0.977 121.223 120.200 0.078 0.000 2.152 63 E HA 0.091 4.441 4.350 -0.000 0.000 0.192 63 E C 1.926 178.660 176.600 0.223 0.000 0.983 63 E CA 0.990 57.496 56.400 0.177 0.000 0.818 63 E CB -0.300 29.568 29.700 0.281 0.000 0.758 63 E HN 0.590 nan 8.360 nan 0.000 0.467 64 I N 0.794 121.495 120.570 0.219 0.000 2.286 64 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 64 I C 2.620 178.827 176.117 0.151 0.000 1.104 64 I CA 0.650 62.083 61.300 0.222 0.000 1.397 64 I CB -0.284 37.905 38.000 0.316 0.000 1.072 64 I HN 0.078 nan 8.210 nan 0.000 0.417 65 V N 0.943 120.933 119.914 0.128 0.000 2.427 65 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 65 V C 2.614 178.740 176.094 0.053 0.000 1.051 65 V CA 1.991 64.354 62.300 0.106 0.000 1.048 65 V CB -0.710 31.175 31.823 0.104 0.000 0.666 65 V HN 0.471 nan 8.190 nan 0.000 0.456 66 R N -0.282 120.250 120.500 0.054 0.000 2.115 66 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 66 R C 2.250 178.544 176.300 -0.009 0.000 1.111 66 R CA 1.983 58.111 56.100 0.047 0.000 0.976 66 R CB -0.495 29.856 30.300 0.085 0.000 0.870 66 R HN 0.583 nan 8.270 nan 0.000 0.445 67 L N 1.602 122.765 121.223 -0.100 0.000 2.017 67 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 67 L C 2.531 179.277 176.870 -0.205 0.000 1.073 67 L CA 2.145 56.753 54.840 -0.387 0.000 0.745 67 L CB -0.738 40.922 42.059 -0.665 0.000 0.894 67 L HN 0.233 nan 8.230 nan 0.000 0.432 68 Q N 0.047 119.792 119.800 -0.092 0.000 2.173 68 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 68 Q C 1.954 177.928 176.000 -0.044 0.000 0.989 68 Q CA 2.440 58.211 55.803 -0.053 0.000 0.872 68 Q CB -0.198 28.538 28.738 -0.003 0.000 0.909 68 Q HN 0.722 nan 8.270 nan 0.000 0.420 69 E N -0.468 119.713 120.200 -0.031 0.000 2.107 69 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 69 E C 2.167 178.751 176.600 -0.026 0.000 0.982 69 E CA 1.167 57.557 56.400 -0.017 0.000 0.809 69 E CB -0.112 29.587 29.700 -0.001 0.000 0.756 69 E HN 0.525 nan 8.360 nan 0.000 0.459 70 Q N 0.507 120.283 119.800 -0.041 0.000 2.123 70 Q HA -0.052 4.288 4.340 -0.000 0.000 0.199 70 Q C 2.290 178.260 176.000 -0.050 0.000 0.966 70 Q CA 0.828 56.609 55.803 -0.035 0.000 0.845 70 Q CB 0.027 28.748 28.738 -0.027 0.000 0.907 70 Q HN 0.305 nan 8.270 nan 0.000 0.439 71 L N 0.108 121.281 121.223 -0.084 0.000 2.156 71 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 71 L C 2.473 179.312 176.870 -0.052 0.000 1.095 71 L CA 0.520 55.313 54.840 -0.079 0.000 0.770 71 L CB -0.568 41.429 42.059 -0.104 0.000 0.914 71 L HN 0.209 nan 8.230 nan 0.000 0.439 72 A N -0.246 122.548 122.820 -0.043 0.000 1.892 72 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 72 A C 2.256 179.821 177.584 -0.032 0.000 1.188 72 A CA 1.558 53.576 52.037 -0.032 0.000 0.631 72 A CB -0.418 18.568 19.000 -0.023 0.000 0.822 72 A HN 0.382 nan 8.150 nan 0.000 0.447 73 Q N -0.378 119.405 119.800 -0.028 0.000 2.084 73 Q HA -0.104 4.235 4.340 -0.000 0.000 0.202 73 Q C 2.389 178.366 176.000 -0.039 0.000 0.978 73 Q CA 1.594 57.380 55.803 -0.029 0.000 0.844 73 Q CB -0.879 27.852 28.738 -0.012 0.000 0.898 73 Q HN 0.510 nan 8.270 nan 0.000 0.426 74 V N 1.446 121.353 119.914 -0.013 0.000 2.287 74 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 74 V C 2.421 178.518 176.094 0.004 0.000 1.053 74 V CA 1.914 64.231 62.300 0.027 0.000 1.027 74 V CB -1.214 30.623 31.823 0.023 0.000 0.646 74 V HN 0.340 nan 8.190 nan 0.000 0.447 75 A N -0.318 122.494 122.820 -0.015 0.000 2.024 75 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 75 A C 2.156 179.722 177.584 -0.030 0.000 1.164 75 A CA 1.786 53.816 52.037 -0.012 0.000 0.643 75 A CB -0.384 18.596 19.000 -0.033 0.000 0.806 75 A HN 0.615 nan 8.150 nan 0.000 0.451 76 K N -1.564 118.791 120.400 -0.075 0.000 2.404 76 K HA 0.268 4.588 4.320 -0.000 0.000 0.194 76 K C 0.870 177.356 176.600 -0.190 0.000 1.023 76 K CA 0.452 56.684 56.287 -0.091 0.000 1.094 76 K CB 0.116 32.578 32.500 -0.064 0.000 0.841 76 K HN 0.644 nan 8.250 nan 0.000 0.523 77 G N 2.125 110.677 108.800 -0.413 0.000 2.130 77 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 77 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 77 G C 0.106 174.705 174.900 -0.503 0.000 0.999 77 G CA -0.013 44.564 45.100 -0.872 0.000 0.686 77 G HN 0.444 nan 8.290 nan 0.000 0.515 78 E N -0.700 119.338 120.200 -0.270 0.000 2.676 78 E HA 0.579 4.929 4.350 -0.000 0.000 0.222 78 E C 0.727 177.321 176.600 -0.009 0.000 0.968 78 E CA 0.479 56.821 56.400 -0.096 0.000 1.090 78 E CB 1.097 30.759 29.700 -0.062 0.000 1.066 78 E HN 0.906 nan 8.360 nan 0.000 0.496 79 A N 0.666 123.505 122.820 0.032 0.000 2.583 79 A HA 0.745 5.065 4.320 -0.000 0.000 0.289 79 A C -1.962 175.811 177.584 0.316 0.000 1.151 79 A CA -0.583 51.536 52.037 0.136 0.000 0.695 79 A CB 1.273 20.322 19.000 0.081 0.000 1.290 79 A HN 0.117 nan 8.150 nan 0.000 0.419 80 F N -0.175 119.847 119.950 0.120 0.000 2.565 80 F HA 0.674 5.201 4.527 -0.000 0.000 0.313 80 F C -1.172 174.670 175.800 0.071 0.000 1.091 80 F CA -0.983 57.094 58.000 0.129 0.000 0.915 80 F CB 1.956 41.025 39.000 0.116 0.000 1.208 80 F HN 0.485 nan 8.300 nan 0.000 0.453 81 L N 6.441 127.395 121.223 -0.448 0.000 2.272 81 L HA 0.541 4.881 4.340 -0.000 0.000 0.289 81 L C -1.580 175.079 176.870 -0.353 0.000 1.032 81 L CA -0.638 54.003 54.840 -0.331 0.000 0.810 81 L CB 1.035 42.897 42.059 -0.328 0.000 1.205 81 L HN 0.594 nan 8.230 nan 0.000 0.422 82 L N 5.204 126.375 121.223 -0.086 0.000 2.276 82 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 82 L C -0.642 176.188 176.870 -0.067 0.000 1.024 82 L CA 0.179 55.007 54.840 -0.020 0.000 0.826 82 L CB 1.207 43.319 42.059 0.089 0.000 1.211 82 L HN 0.767 nan 8.230 nan 0.000 0.422 83 Q N 3.219 122.942 119.800 -0.128 0.000 2.330 83 Q HA 0.785 5.125 4.340 -0.000 0.000 0.269 83 Q C -0.867 175.071 176.000 -0.102 0.000 1.022 83 Q CA -0.620 55.058 55.803 -0.208 0.000 0.796 83 Q CB 1.893 30.308 28.738 -0.537 0.000 1.271 83 Q HN 0.912 nan 8.270 nan 0.000 0.450 84 G N 0.938 109.716 108.800 -0.036 0.000 2.632 84 G HA2 0.734 4.693 3.960 -0.000 0.000 0.292 84 G HA3 0.734 4.693 3.960 -0.000 0.000 0.292 84 G C -1.018 173.914 174.900 0.054 0.000 1.465 84 G CA -0.016 45.108 45.100 0.040 0.000 0.824 84 G HN 0.891 nan 8.290 nan 0.000 0.509 85 G N -0.206 108.633 108.800 0.066 0.000 2.356 85 G HA2 0.422 4.382 3.960 -0.000 0.000 0.288 85 G HA3 0.422 4.382 3.960 -0.000 0.000 0.288 85 G C -1.521 173.424 174.900 0.075 0.000 1.302 85 G CA -0.688 44.447 45.100 0.058 0.000 0.887 85 G HN 0.697 nan 8.290 nan 0.000 0.521 86 D N -0.566 119.880 120.400 0.076 0.000 2.515 86 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 86 D C 1.651 178.006 176.300 0.091 0.000 1.157 86 D CA 0.460 54.508 54.000 0.079 0.000 0.871 86 D CB 1.336 42.192 40.800 0.092 0.000 1.200 86 D HN 0.643 nan 8.370 nan 0.000 0.466 87 C N 2.168 121.510 119.300 0.070 0.000 2.413 87 C HA 0.077 4.537 4.460 -0.000 0.000 0.277 87 C C 0.914 175.960 174.990 0.093 0.000 1.228 87 C CA 1.230 60.309 59.018 0.101 0.000 1.731 87 C CB -0.703 27.079 27.740 0.069 0.000 2.042 87 C HN 0.645 nan 8.230 nan 0.000 0.468 88 A N 0.553 123.400 122.820 0.046 0.000 2.357 88 A HA 0.600 4.920 4.320 -0.000 0.000 0.295 88 A C -0.697 176.874 177.584 -0.022 0.000 1.121 88 A CA -0.374 51.672 52.037 0.015 0.000 0.742 88 A CB 0.477 19.514 19.000 0.061 0.000 1.181 88 A HN 0.654 nan 8.150 nan 0.000 0.454 89 E N 1.426 121.559 120.200 -0.113 0.000 2.373 89 E HA 0.370 4.720 4.350 -0.000 0.000 0.267 89 E C 0.300 176.954 176.600 0.090 0.000 1.032 89 E CA 0.251 56.589 56.400 -0.103 0.000 0.889 89 E CB 0.885 30.294 29.700 -0.486 0.000 0.984 89 E HN 0.725 nan 8.360 nan 0.000 0.425 90 T N -0.868 113.761 114.554 0.126 0.000 2.932 90 T HA 0.278 4.628 4.350 -0.000 0.000 0.289 90 T C 0.646 175.467 174.700 0.200 0.000 1.039 90 T CA -0.804 61.342 62.100 0.077 0.000 1.024 90 T CB 0.530 69.352 68.868 -0.077 0.000 1.090 90 T HN 0.195 nan 8.240 nan 0.000 0.496 91 F N 0.456 120.450 119.950 0.073 0.000 2.216 91 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 91 F C 2.414 178.216 175.800 0.002 0.000 1.085 91 F CA 0.579 58.573 58.000 -0.011 0.000 1.326 91 F CB -0.961 37.990 39.000 -0.082 0.000 1.027 91 F HN 0.597 nan 8.300 nan 0.000 0.497 92 M N -0.204 119.475 119.600 0.131 0.000 2.175 92 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 92 M C 0.445 176.747 176.300 0.004 0.000 1.063 92 M CA 1.855 57.182 55.300 0.044 0.000 1.119 92 M CB -0.137 32.447 32.600 -0.026 0.000 1.377 92 M HN -0.136 nan 8.290 nan 0.000 0.415 93 D N 0.293 120.671 120.400 -0.037 0.000 2.463 93 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 93 D C -0.277 176.029 176.300 0.009 0.000 1.174 93 D CA 0.093 54.027 54.000 -0.110 0.000 0.829 93 D CB -0.482 40.074 40.800 -0.408 0.000 0.993 93 D HN 0.264 nan 8.370 nan 0.000 0.497 94 N N 1.429 120.198 118.700 0.115 0.000 3.178 94 N HA -0.000 4.740 4.740 -0.000 0.000 0.300 94 N C -0.726 174.857 175.510 0.122 0.000 1.242 94 N CA 0.085 53.239 53.050 0.173 0.000 1.192 94 N CB -0.187 38.443 38.487 0.237 0.000 1.463 94 N HN -0.022 nan 8.380 nan 0.000 0.539 95 T N -2.636 111.990 114.554 0.120 0.000 2.924 95 T HA 0.273 4.623 4.350 -0.000 0.000 0.291 95 T C 0.958 175.707 174.700 0.081 0.000 1.045 95 T CA -0.797 61.354 62.100 0.085 0.000 1.015 95 T CB 1.812 70.722 68.868 0.069 0.000 1.103 95 T HN 0.097 nan 8.240 nan 0.000 0.496 96 E N 0.862 121.092 120.200 0.051 0.000 2.065 96 E HA -0.142 4.208 4.350 -0.000 0.000 0.201 96 E C -0.891 175.724 176.600 0.025 0.000 1.016 96 E CA 2.134 58.553 56.400 0.033 0.000 0.818 96 E CB -1.418 28.296 29.700 0.023 0.000 0.749 96 E HN 0.509 nan 8.360 nan 0.000 0.453 97 P HA -0.123 nan 4.420 nan 0.000 0.215 97 P C 1.241 178.552 177.300 0.017 0.000 1.153 97 P CA 1.788 64.897 63.100 0.014 0.000 0.853 97 P CB -0.245 31.468 31.700 0.022 0.000 0.788 98 H N -0.680 118.376 119.070 -0.024 0.000 2.333 98 H HA -0.008 4.548 4.556 -0.000 0.000 0.302 98 H C 1.845 177.158 175.328 -0.026 0.000 1.075 98 H CA 1.386 57.417 56.048 -0.029 0.000 1.348 98 H CB -0.926 28.826 29.762 -0.018 0.000 1.393 98 H HN -0.042 nan 8.280 nan 0.000 0.509 99 I N 0.028 120.573 120.570 -0.041 0.000 2.179 99 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 99 I C 2.768 178.815 176.117 -0.116 0.000 1.088 99 I CA 1.571 62.823 61.300 -0.080 0.000 1.357 99 I CB -0.338 37.669 38.000 0.012 0.000 1.051 99 I HN 0.236 nan 8.210 nan 0.000 0.409 100 R N 0.945 121.394 120.500 -0.085 0.000 2.105 100 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 100 R C 2.290 178.493 176.300 -0.161 0.000 1.135 100 R CA 1.735 57.778 56.100 -0.095 0.000 0.967 100 R CB -0.545 29.714 30.300 -0.069 0.000 0.861 100 R HN 0.461 nan 8.270 nan 0.000 0.442 101 G N 0.292 108.975 108.800 -0.195 0.000 2.404 101 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 101 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 101 G C 1.080 175.839 174.900 -0.234 0.000 1.174 101 G CA 0.834 45.796 45.100 -0.230 0.000 0.780 101 G HN 0.324 nan 8.290 nan 0.000 0.537 102 N N 0.454 118.984 118.700 -0.284 0.000 2.036 102 N HA -0.132 4.608 4.740 -0.000 0.000 0.195 102 N C 2.319 177.753 175.510 -0.127 0.000 1.037 102 N CA 1.352 54.270 53.050 -0.221 0.000 0.855 102 N CB -0.792 37.526 38.487 -0.281 0.000 1.033 102 N HN 0.158 nan 8.380 nan 0.000 0.423 103 V N 1.226 121.077 119.914 -0.105 0.000 2.282 103 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 103 V C 2.473 178.538 176.094 -0.048 0.000 1.057 103 V CA 1.926 64.193 62.300 -0.054 0.000 1.032 103 V CB -0.533 31.269 31.823 -0.035 0.000 0.645 103 V HN 0.375 nan 8.190 nan 0.000 0.447 104 R N 0.345 120.776 120.500 -0.115 0.000 2.081 104 R HA -0.174 4.165 4.340 -0.000 0.000 0.235 104 R C 2.257 178.505 176.300 -0.087 0.000 1.131 104 R CA 1.818 57.821 56.100 -0.161 0.000 0.960 104 R CB -0.466 29.567 30.300 -0.446 0.000 0.856 104 R HN 0.475 nan 8.270 nan 0.000 0.436 105 A N 0.819 123.571 122.820 -0.113 0.000 1.930 105 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 105 A C 2.026 179.593 177.584 -0.028 0.000 1.175 105 A CA 1.021 53.009 52.037 -0.082 0.000 0.627 105 A CB -0.418 18.521 19.000 -0.101 0.000 0.815 105 A HN 0.383 nan 8.150 nan 0.000 0.443 106 L N -0.524 120.689 121.223 -0.017 0.000 2.044 106 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 106 L C 2.348 179.243 176.870 0.042 0.000 1.075 106 L CA 1.313 56.161 54.840 0.013 0.000 0.747 106 L CB -0.342 41.725 42.059 0.013 0.000 0.903 106 L HN 0.382 nan 8.230 nan 0.000 0.435 107 L N -1.039 120.221 121.223 0.061 0.000 2.079 107 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 107 L C 2.591 179.530 176.870 0.116 0.000 1.081 107 L CA 1.364 56.263 54.840 0.098 0.000 0.752 107 L CB -0.510 41.638 42.059 0.149 0.000 0.896 107 L HN 0.406 nan 8.230 nan 0.000 0.433 108 Q N -0.698 119.180 119.800 0.130 0.000 2.046 108 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 108 Q C 2.370 178.411 176.000 0.068 0.000 0.975 108 Q CA 1.563 57.455 55.803 0.147 0.000 0.836 108 Q CB -0.107 28.714 28.738 0.138 0.000 0.896 108 Q HN 0.503 nan 8.270 nan 0.000 0.428 109 M N -0.151 119.466 119.600 0.029 0.000 2.108 109 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 109 M C 2.330 178.637 176.300 0.011 0.000 1.066 109 M CA 1.534 56.836 55.300 0.003 0.000 1.107 109 M CB -0.338 32.272 32.600 0.015 0.000 1.356 109 M HN 0.229 nan 8.290 nan 0.000 0.406 110 A N -0.444 122.401 122.820 0.041 0.000 1.933 110 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 110 A C 2.285 179.885 177.584 0.028 0.000 1.175 110 A CA 1.664 53.734 52.037 0.055 0.000 0.628 110 A CB -1.022 18.018 19.000 0.068 0.000 0.814 110 A HN 0.365 nan 8.150 nan 0.000 0.444 111 V N -0.372 119.551 119.914 0.015 0.000 2.515 111 V HA -0.148 3.971 4.120 -0.000 0.000 0.250 111 V C 2.276 178.331 176.094 -0.064 0.000 1.058 111 V CA 2.299 64.587 62.300 -0.021 0.000 1.064 111 V CB -0.275 31.528 31.823 -0.034 0.000 0.675 111 V HN 0.304 nan 8.190 nan 0.000 0.461 112 V N -0.003 119.848 119.914 -0.106 0.000 2.379 112 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 112 V C 2.381 178.391 176.094 -0.139 0.000 1.044 112 V CA 2.188 64.350 62.300 -0.229 0.000 1.036 112 V CB -0.427 31.127 31.823 -0.449 0.000 0.664 112 V HN 0.495 nan 8.190 nan 0.000 0.453 113 L N -0.512 120.655 121.223 -0.092 0.000 2.156 113 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 113 L C 2.579 179.396 176.870 -0.089 0.000 1.095 113 L CA 1.426 56.206 54.840 -0.101 0.000 0.770 113 L CB -0.775 41.274 42.059 -0.017 0.000 0.914 113 L HN 0.339 nan 8.230 nan 0.000 0.439 114 T N -1.235 113.306 114.554 -0.022 0.000 2.708 114 T HA -0.249 4.100 4.350 -0.000 0.000 0.266 114 T C 1.702 176.381 174.700 -0.035 0.000 1.037 114 T CA 1.431 63.527 62.100 -0.007 0.000 1.146 114 T CB -0.346 68.535 68.868 0.021 0.000 0.865 114 T HN 0.283 nan 8.240 nan 0.000 0.435 115 Y N 1.693 121.923 120.300 -0.117 0.000 2.145 115 Y HA -0.054 4.496 4.550 -0.000 0.000 0.286 115 Y C 2.568 178.402 175.900 -0.111 0.000 1.145 115 Y CA 1.450 59.479 58.100 -0.118 0.000 1.148 115 Y CB -0.723 37.640 38.460 -0.161 0.000 0.981 115 Y HN 0.206 nan 8.280 nan 0.000 0.507 116 G N -0.645 108.112 108.800 -0.072 0.000 2.422 116 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 116 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 116 G C 1.686 176.476 174.900 -0.183 0.000 1.146 116 G CA 0.759 45.782 45.100 -0.128 0.000 0.769 116 G HN 0.560 nan 8.290 nan 0.000 0.547 117 A N -0.482 122.222 122.820 -0.193 0.000 2.119 117 A HA 0.393 4.713 4.320 -0.000 0.000 0.216 117 A C 1.786 179.305 177.584 -0.108 0.000 1.152 117 A CA 1.354 53.295 52.037 -0.159 0.000 0.708 117 A CB -0.169 18.715 19.000 -0.193 0.000 0.805 117 A HN 0.671 nan 8.150 nan 0.000 0.460 118 S N -1.569 114.037 115.700 -0.158 0.000 3.587 118 S HA -0.191 4.278 4.470 -0.000 0.000 0.337 118 S C 0.044 174.610 174.600 -0.057 0.000 1.119 118 S CA 1.466 59.583 58.200 -0.138 0.000 0.976 118 S CB -2.073 61.046 63.200 -0.134 0.000 0.922 118 S HN 1.136 nan 8.310 nan 0.000 0.503 119 M N -3.355 116.230 119.600 -0.025 0.000 2.880 119 M HA 0.711 5.190 4.480 -0.000 0.000 0.269 119 M C -3.455 172.875 176.300 0.049 0.000 1.248 119 M CA -2.380 52.933 55.300 0.022 0.000 0.821 119 M CB 0.993 33.625 32.600 0.053 0.000 1.650 119 M HN -0.254 nan 8.290 nan 0.000 0.479 120 P HA 0.309 nan 4.420 nan 0.000 0.271 120 P C -1.194 176.183 177.300 0.128 0.000 1.218 120 P CA -0.333 62.814 63.100 0.078 0.000 0.780 120 P CB 0.833 32.572 31.700 0.065 0.000 0.901 121 V N 4.186 124.177 119.914 0.127 0.000 2.384 121 V HA 0.185 4.304 4.120 -0.000 0.000 0.287 121 V C 0.138 176.310 176.094 0.130 0.000 1.020 121 V CA -0.650 61.755 62.300 0.174 0.000 0.850 121 V CB 1.806 33.738 31.823 0.182 0.000 0.987 121 V HN 0.229 nan 8.190 nan 0.000 0.436 122 V N 5.789 125.772 119.914 0.115 0.000 2.498 122 V HA 0.343 4.463 4.120 -0.000 0.000 0.279 122 V C 0.195 176.351 176.094 0.103 0.000 1.048 122 V CA -0.614 61.750 62.300 0.106 0.000 0.967 122 V CB 1.148 32.995 31.823 0.040 0.000 0.988 122 V HN 0.816 nan 8.190 nan 0.000 0.473 123 K N 4.089 124.583 120.400 0.156 0.000 2.339 123 K HA 0.692 5.012 4.320 -0.000 0.000 0.264 123 K C -1.391 175.316 176.600 0.179 0.000 0.986 123 K CA -0.538 55.823 56.287 0.123 0.000 0.866 123 K CB 2.071 34.623 32.500 0.087 0.000 1.103 123 K HN 0.431 nan 8.250 nan 0.000 0.441 124 V N 2.421 122.400 119.914 0.110 0.000 2.447 124 V HA 0.400 4.520 4.120 -0.000 0.000 0.292 124 V C -0.329 175.805 176.094 0.067 0.000 1.021 124 V CA -0.970 61.404 62.300 0.124 0.000 0.850 124 V CB 1.476 33.323 31.823 0.040 0.000 1.005 124 V HN 0.903 nan 8.190 nan 0.000 0.426 125 A N 5.207 128.090 122.820 0.105 0.000 2.316 125 A HA 0.690 5.010 4.320 -0.000 0.000 0.284 125 A C 0.272 177.936 177.584 0.133 0.000 1.115 125 A CA -0.539 51.551 52.037 0.089 0.000 0.812 125 A CB 0.431 19.478 19.000 0.078 0.000 1.064 125 A HN 0.824 nan 8.150 nan 0.000 0.489 126 R N 0.996 121.579 120.500 0.138 0.000 2.248 126 R HA 0.606 4.946 4.340 -0.000 0.000 0.337 126 R C -0.921 175.456 176.300 0.129 0.000 1.106 126 R CA 0.291 56.522 56.100 0.219 0.000 0.959 126 R CB 0.109 30.574 30.300 0.274 0.000 1.075 126 R HN 0.692 nan 8.270 nan 0.000 0.480 127 I N 0.081 120.718 120.570 0.112 0.000 2.739 127 I HA 0.215 4.385 4.170 -0.000 0.000 0.295 127 I C -1.017 175.137 176.117 0.061 0.000 1.677 127 I CA -0.258 61.070 61.300 0.047 0.000 0.976 127 I CB 1.784 39.821 38.000 0.061 0.000 1.430 127 I HN 0.706 nan 8.210 nan 0.000 0.525 128 A N 3.928 126.759 122.820 0.018 0.000 2.800 128 A HA 0.170 4.490 4.320 -0.000 0.000 0.292 128 A C 0.840 178.479 177.584 0.092 0.000 1.474 128 A CA 1.411 53.498 52.037 0.083 0.000 0.744 128 A CB -2.183 16.880 19.000 0.105 0.000 1.044 128 A HN 2.388 nan 8.150 nan 0.000 0.489 129 G N -1.937 106.795 108.800 -0.112 0.000 2.870 129 G HA2 0.224 4.184 3.960 -0.000 0.000 0.216 129 G HA3 0.224 4.184 3.960 -0.000 0.000 0.216 129 G C -0.040 174.522 174.900 -0.563 0.000 0.973 129 G CA 0.654 45.598 45.100 -0.260 0.000 0.807 129 G HN 1.600 nan 8.290 nan 0.000 0.573 130 Q N 0.739 120.229 119.800 -0.518 0.000 3.027 130 Q HA 0.589 4.929 4.340 -0.000 0.000 0.260 130 Q C -0.153 175.603 176.000 -0.407 0.000 1.379 130 Q CA -0.425 55.196 55.803 -0.304 0.000 1.038 130 Q CB -0.711 27.973 28.738 -0.091 0.000 1.578 130 Q HN 0.588 nan 8.270 nan 0.000 0.571 131 Y N 0.130 120.318 120.300 -0.186 0.000 2.707 131 Y HA 0.601 5.151 4.550 -0.000 0.000 0.249 131 Y C 0.013 175.770 175.900 -0.240 0.000 1.166 131 Y CA -0.482 57.496 58.100 -0.203 0.000 1.184 131 Y CB 1.229 39.571 38.460 -0.196 0.000 1.240 131 Y HN 0.453 nan 8.280 nan 0.000 0.547 132 A N 1.588 124.346 122.820 -0.103 0.000 2.455 132 A HA 0.746 5.065 4.320 -0.000 0.000 0.300 132 A C -1.186 176.317 177.584 -0.134 0.000 1.040 132 A CA -0.811 51.137 52.037 -0.148 0.000 0.697 132 A CB 1.336 20.253 19.000 -0.139 0.000 1.265 132 A HN 0.230 nan 8.150 nan 0.000 0.407 133 K N 2.338 122.641 120.400 -0.163 0.000 2.469 133 K HA 0.756 5.076 4.320 -0.000 0.000 0.254 133 K C -3.123 173.413 176.600 -0.107 0.000 0.939 133 K CA -1.891 54.332 56.287 -0.107 0.000 0.812 133 K CB 2.752 35.211 32.500 -0.068 0.000 1.301 133 K HN 0.406 nan 8.250 nan 0.000 0.433 134 P HA 0.157 nan 4.420 nan 0.000 0.273 134 P C -0.949 176.329 177.300 -0.038 0.000 1.250 134 P CA -0.488 62.574 63.100 -0.064 0.000 0.793 134 P CB 0.568 32.234 31.700 -0.057 0.000 1.011 135 R N 0.105 120.589 120.500 -0.027 0.000 2.548 135 R HA 0.195 4.534 4.340 -0.000 0.000 0.280 135 R C 1.161 177.463 176.300 0.003 0.000 1.061 135 R CA -0.462 55.637 56.100 -0.002 0.000 0.915 135 R CB 1.533 31.834 30.300 0.001 0.000 1.210 135 R HN 0.587 nan 8.270 nan 0.000 0.442 136 S N 0.269 115.977 115.700 0.014 0.000 2.453 136 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 136 S C 0.792 175.400 174.600 0.012 0.000 1.005 136 S CA 0.558 58.765 58.200 0.013 0.000 0.949 136 S CB 0.268 63.480 63.200 0.020 0.000 0.774 136 S HN 0.629 nan 8.310 nan 0.000 0.510 137 A N 0.609 123.438 122.820 0.015 0.000 2.374 137 A HA 0.626 4.946 4.320 -0.000 0.000 0.305 137 A C -0.054 177.538 177.584 0.014 0.000 1.053 137 A CA -0.558 51.486 52.037 0.012 0.000 0.726 137 A CB 1.291 20.299 19.000 0.013 0.000 1.229 137 A HN 0.057 nan 8.150 nan 0.000 0.431 138 D N 0.958 121.363 120.400 0.009 0.000 2.348 138 D HA 0.085 4.725 4.640 -0.000 0.000 0.216 138 D C -0.011 176.296 176.300 0.013 0.000 0.970 138 D CA 1.206 55.214 54.000 0.012 0.000 0.889 138 D CB -0.029 40.771 40.800 -0.000 0.000 0.912 138 D HN 0.532 nan 8.370 nan 0.000 0.524 139 I N 0.932 121.506 120.570 0.008 0.000 2.465 139 I HA 0.199 4.368 4.170 -0.000 0.000 0.291 139 I C -0.309 175.811 176.117 0.005 0.000 1.014 139 I CA -0.984 60.319 61.300 0.004 0.000 1.093 139 I CB 1.912 39.910 38.000 -0.003 0.000 1.267 139 I HN -0.134 nan 8.210 nan 0.000 0.431 140 D N 5.076 125.479 120.400 0.004 0.000 2.529 140 D HA 0.380 5.020 4.640 -0.000 0.000 0.273 140 D C 1.037 177.330 176.300 -0.011 0.000 1.197 140 D CA -0.538 53.463 54.000 0.002 0.000 1.070 140 D CB 0.770 41.573 40.800 0.005 0.000 1.134 140 D HN 0.440 nan 8.370 nan 0.000 0.590 141 A N -0.571 122.239 122.820 -0.017 0.000 2.019 141 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 141 A C 2.159 179.722 177.584 -0.035 0.000 1.164 141 A CA 0.830 52.851 52.037 -0.026 0.000 0.644 141 A CB -0.881 18.099 19.000 -0.033 0.000 0.805 141 A HN 0.562 nan 8.150 nan 0.000 0.449 142 L N -1.441 119.757 121.223 -0.042 0.000 2.610 142 L HA 0.095 4.435 4.340 -0.000 0.000 0.232 142 L C 1.758 178.607 176.870 -0.035 0.000 1.149 142 L CA 0.681 55.494 54.840 -0.045 0.000 0.872 142 L CB -0.332 41.691 42.059 -0.062 0.000 0.992 142 L HN 0.623 nan 8.230 nan 0.000 0.447 143 G N 0.114 108.898 108.800 -0.027 0.000 2.175 143 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 143 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 143 G C 0.109 174.998 174.900 -0.018 0.000 0.982 143 G CA -0.282 44.805 45.100 -0.021 0.000 0.641 143 G HN 0.210 nan 8.290 nan 0.000 0.527 144 L N 0.726 121.937 121.223 -0.020 0.000 2.343 144 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 144 L C 1.328 178.199 176.870 0.002 0.000 1.056 144 L CA -1.149 53.682 54.840 -0.014 0.000 0.804 144 L CB 0.878 42.921 42.059 -0.028 0.000 1.203 144 L HN 0.058 nan 8.230 nan 0.000 0.440 145 R N 1.210 121.717 120.500 0.011 0.000 2.537 145 R HA 0.041 4.381 4.340 -0.000 0.000 0.281 145 R C -0.195 176.144 176.300 0.064 0.000 0.988 145 R CA -0.121 55.998 56.100 0.032 0.000 1.077 145 R CB 0.178 30.497 30.300 0.031 0.000 0.932 145 R HN 0.581 nan 8.270 nan 0.000 0.409 146 S N 2.769 118.512 115.700 0.072 0.000 2.562 146 S HA -0.063 4.407 4.470 -0.000 0.000 0.281 146 S C -0.207 174.472 174.600 0.132 0.000 1.333 146 S CA -0.412 57.838 58.200 0.084 0.000 1.052 146 S CB 0.293 63.529 63.200 0.060 0.000 0.884 146 S HN 0.452 nan 8.310 nan 0.000 0.506 147 Y N 2.767 123.068 120.300 0.003 0.000 2.650 147 Y HA 0.008 4.557 4.550 -0.000 0.000 0.331 147 Y C 1.209 177.119 175.900 0.017 0.000 1.165 147 Y CA 0.293 58.404 58.100 0.018 0.000 1.473 147 Y CB 0.177 38.665 38.460 0.046 0.000 1.224 147 Y HN 0.619 nan 8.280 nan 0.000 0.533 148 R N 4.321 124.521 120.500 -0.499 0.000 2.577 148 R HA 0.282 4.622 4.340 -0.000 0.000 0.344 148 R C 0.120 176.031 176.300 -0.648 0.000 1.037 148 R CA 0.260 56.077 56.100 -0.472 0.000 1.102 148 R CB 0.517 30.610 30.300 -0.344 0.000 1.313 148 R HN 0.981 nan 8.270 nan 0.000 0.561 149 G N 0.887 108.919 108.800 -1.281 0.000 2.712 149 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 149 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 149 G C -0.370 174.287 174.900 -0.405 0.000 1.321 149 G CA -0.671 43.958 45.100 -0.784 0.000 0.813 149 G HN 0.154 nan 8.290 nan 0.000 0.599 150 D N 0.208 120.466 120.400 -0.237 0.000 2.350 150 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 150 D C 2.410 178.520 176.300 -0.317 0.000 0.968 150 D CA 1.053 54.805 54.000 -0.414 0.000 0.894 150 D CB 0.010 40.095 40.800 -1.193 0.000 0.909 150 D HN 0.465 nan 8.370 nan 0.000 0.520 151 M N -0.512 119.001 119.600 -0.145 0.000 2.460 151 M HA -0.042 4.438 4.480 -0.000 0.000 0.263 151 M C 1.202 177.570 176.300 0.112 0.000 1.071 151 M CA 1.089 56.396 55.300 0.012 0.000 1.096 151 M CB 0.300 32.869 32.600 -0.052 0.000 1.408 151 M HN -0.003 nan 8.290 nan 0.000 0.463 152 I N -0.996 119.568 120.570 -0.011 0.000 3.673 152 I HA 0.049 4.219 4.170 -0.000 0.000 0.281 152 I C 0.429 176.557 176.117 0.019 0.000 1.182 152 I CA -0.115 61.162 61.300 -0.039 0.000 1.391 152 I CB 0.286 38.053 38.000 -0.388 0.000 1.383 152 I HN 0.299 nan 8.210 nan 0.000 0.456 153 N N 0.530 119.231 118.700 0.001 0.000 3.439 153 N HA 0.357 5.097 4.740 -0.000 0.000 0.313 153 N C -0.603 175.042 175.510 0.226 0.000 1.598 153 N CA -0.405 52.723 53.050 0.129 0.000 0.830 153 N CB 0.564 39.140 38.487 0.148 0.000 1.849 153 N HN -0.046 nan 8.380 nan 0.000 0.598 154 G N -1.359 107.594 108.800 0.254 0.000 2.420 154 G HA2 0.437 4.397 3.960 -0.000 0.000 0.331 154 G HA3 0.437 4.397 3.960 -0.000 0.000 0.331 154 G C -0.439 174.556 174.900 0.158 0.000 1.168 154 G CA -0.708 44.530 45.100 0.230 0.000 0.936 154 G HN 0.417 nan 8.290 nan 0.000 0.479 155 F N 2.545 122.287 119.950 -0.347 0.000 2.161 155 F HA 0.094 4.621 4.527 -0.000 0.000 0.300 155 F C 2.111 177.722 175.800 -0.316 0.000 1.089 155 F CA 0.894 58.419 58.000 -0.792 0.000 1.282 155 F CB -0.046 38.508 39.000 -0.743 0.000 1.010 155 F HN 0.502 nan 8.300 nan 0.000 0.485 156 A N 2.101 124.854 122.820 -0.113 0.000 2.580 156 A HA 0.074 4.394 4.320 -0.000 0.000 0.244 156 A C -2.051 175.417 177.584 -0.192 0.000 1.045 156 A CA -0.595 51.366 52.037 -0.127 0.000 0.761 156 A CB -0.921 18.059 19.000 -0.033 0.000 0.962 156 A HN 0.227 nan 8.150 nan 0.000 0.512 157 P HA 0.142 nan 4.420 nan 0.000 0.230 157 P C -1.120 176.121 177.300 -0.098 0.000 1.791 157 P CA 0.184 63.173 63.100 -0.185 0.000 1.020 157 P CB -0.341 31.242 31.700 -0.195 0.000 1.977 158 D N -0.353 120.007 120.400 -0.067 0.000 2.602 158 D HA 0.262 4.902 4.640 -0.000 0.000 0.236 158 D C 0.474 176.764 176.300 -0.015 0.000 1.209 158 D CA -0.927 53.051 54.000 -0.036 0.000 0.831 158 D CB 1.590 42.374 40.800 -0.027 0.000 1.478 158 D HN -0.059 nan 8.370 nan 0.000 0.438 159 A N 1.164 123.980 122.820 -0.008 0.000 1.902 159 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 159 A C 2.139 179.736 177.584 0.021 0.000 1.181 159 A CA 2.529 54.569 52.037 0.005 0.000 0.623 159 A CB -0.958 18.043 19.000 0.001 0.000 0.818 159 A HN 0.725 nan 8.150 nan 0.000 0.443 160 A N -0.342 122.489 122.820 0.019 0.000 1.930 160 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 160 A C 2.442 180.055 177.584 0.047 0.000 1.175 160 A CA 1.772 53.828 52.037 0.031 0.000 0.627 160 A CB -0.921 18.093 19.000 0.022 0.000 0.815 160 A HN 1.085 nan 8.150 nan 0.000 0.443 161 A N -0.720 122.123 122.820 0.038 0.000 2.070 161 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 161 A C 1.996 179.636 177.584 0.092 0.000 1.159 161 A CA 1.133 53.204 52.037 0.056 0.000 0.656 161 A CB -0.317 18.701 19.000 0.030 0.000 0.800 161 A HN 0.332 nan 8.150 nan 0.000 0.453 162 R N 0.484 121.036 120.500 0.086 0.000 2.297 162 R HA 0.114 4.454 4.340 -0.000 0.000 0.197 162 R C -0.189 176.218 176.300 0.178 0.000 0.943 162 R CA 0.021 56.197 56.100 0.127 0.000 1.038 162 R CB -0.223 30.129 30.300 0.087 0.000 0.957 162 R HN 0.489 nan 8.270 nan 0.000 0.484 163 E N 1.228 121.516 120.200 0.147 0.000 2.413 163 E HA -0.022 4.328 4.350 -0.000 0.000 0.263 163 E C -0.198 176.587 176.600 0.308 0.000 1.015 163 E CA 0.294 56.791 56.400 0.162 0.000 0.916 163 E CB 0.405 30.174 29.700 0.115 0.000 0.947 163 E HN 0.280 nan 8.360 nan 0.000 0.440 164 H N 1.784 120.929 119.070 0.125 0.000 2.848 164 H HA 0.053 4.609 4.556 -0.000 0.000 0.317 164 H C -0.303 175.261 175.328 0.393 0.000 1.046 164 H CA -0.189 55.989 56.048 0.217 0.000 1.470 164 H CB 0.750 30.567 29.762 0.091 0.000 1.483 164 H HN 0.200 nan 8.280 nan 0.000 0.548 165 D N 5.562 126.294 120.400 0.553 0.000 2.440 165 D HA 0.123 4.763 4.640 -0.000 0.000 0.252 165 D C -1.862 174.493 176.300 0.093 0.000 1.180 165 D CA -2.563 51.622 54.000 0.308 0.000 0.894 165 D CB 1.649 42.564 40.800 0.192 0.000 1.111 165 D HN 0.250 nan 8.370 nan 0.000 0.544 166 P HA -0.134 nan 4.420 nan 0.000 0.225 166 P C 1.250 178.265 177.300 -0.475 0.000 1.148 166 P CA 0.679 63.139 63.100 -1.065 0.000 0.779 166 P CB 0.059 31.008 31.700 -1.251 0.000 0.780 167 S N 0.119 115.691 115.700 -0.213 0.000 2.440 167 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 167 S C 1.978 176.547 174.600 -0.051 0.000 1.010 167 S CA 0.702 58.839 58.200 -0.104 0.000 0.972 167 S CB -1.001 62.176 63.200 -0.039 0.000 0.774 167 S HN 0.141 nan 8.310 nan 0.000 0.501 168 R N 0.647 121.143 120.500 -0.007 0.000 2.193 168 R HA 0.160 4.500 4.340 -0.000 0.000 0.229 168 R C 2.094 178.442 176.300 0.079 0.000 1.110 168 R CA 1.180 57.342 56.100 0.103 0.000 0.988 168 R CB -0.618 29.808 30.300 0.210 0.000 0.871 168 R HN 0.438 nan 8.270 nan 0.000 0.458 169 L N -0.233 120.999 121.223 0.014 0.000 2.083 169 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 169 L C 2.119 179.093 176.870 0.172 0.000 1.083 169 L CA 1.006 55.918 54.840 0.119 0.000 0.752 169 L CB -0.249 41.852 42.059 0.069 0.000 0.899 169 L HN 0.028 nan 8.230 nan 0.000 0.433 170 V N -0.767 119.186 119.914 0.064 0.000 2.599 170 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 170 V C 2.466 178.587 176.094 0.046 0.000 1.046 170 V CA 1.126 63.478 62.300 0.086 0.000 1.065 170 V CB -0.387 31.445 31.823 0.015 0.000 0.703 170 V HN 0.337 nan 8.190 nan 0.000 0.464 171 R N 0.795 121.242 120.500 -0.088 0.000 2.120 171 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 171 R C 2.373 178.357 176.300 -0.525 0.000 1.123 171 R CA 1.474 57.362 56.100 -0.353 0.000 0.975 171 R CB -0.593 29.406 30.300 -0.501 0.000 0.866 171 R HN 0.519 nan 8.270 nan 0.000 0.446 172 A N 0.292 122.985 122.820 -0.211 0.000 1.930 172 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 172 A C 1.985 179.581 177.584 0.019 0.000 1.175 172 A CA 1.183 53.124 52.037 -0.160 0.000 0.627 172 A CB -0.653 18.271 19.000 -0.127 0.000 0.815 172 A HN 0.485 nan 8.150 nan 0.000 0.443 173 Y N 0.664 121.045 120.300 0.134 0.000 2.114 173 Y HA -0.052 4.498 4.550 -0.000 0.000 0.284 173 Y C 2.612 178.549 175.900 0.062 0.000 1.143 173 Y CA 1.385 59.609 58.100 0.207 0.000 1.135 173 Y CB -0.720 37.847 38.460 0.178 0.000 0.980 173 Y HN 0.294 nan 8.280 nan 0.000 0.499 174 A N 1.153 123.868 122.820 -0.177 0.000 1.873 174 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 174 A C 2.166 179.574 177.584 -0.294 0.000 1.193 174 A CA 2.211 54.081 52.037 -0.278 0.000 0.629 174 A CB -1.077 17.847 19.000 -0.126 0.000 0.826 174 A HN 0.692 nan 8.150 nan 0.000 0.447 175 N N -0.023 118.519 118.700 -0.263 0.000 2.166 175 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 175 N C 1.939 177.456 175.510 0.011 0.000 1.019 175 N CA 1.401 54.371 53.050 -0.135 0.000 0.856 175 N CB -0.376 37.997 38.487 -0.189 0.000 0.993 175 N HN 0.512 nan 8.380 nan 0.000 0.426 176 A N 0.565 123.396 122.820 0.018 0.000 1.873 176 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 176 A C 2.557 180.107 177.584 -0.056 0.000 1.186 176 A CA 1.372 53.463 52.037 0.090 0.000 0.616 176 A CB -0.691 18.426 19.000 0.195 0.000 0.823 176 A HN 0.194 nan 8.150 nan 0.000 0.442 177 S N -0.252 115.278 115.700 -0.283 0.000 2.359 177 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 177 S C 2.308 176.833 174.600 -0.125 0.000 1.035 177 S CA 1.430 59.467 58.200 -0.272 0.000 1.018 177 S CB -0.466 62.424 63.200 -0.516 0.000 0.876 177 S HN 0.797 nan 8.310 nan 0.000 0.448 178 A N 1.155 123.901 122.820 -0.124 0.000 1.902 178 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 178 A C 2.318 179.896 177.584 -0.009 0.000 1.181 178 A CA 1.755 53.759 52.037 -0.055 0.000 0.623 178 A CB -0.997 17.973 19.000 -0.050 0.000 0.818 178 A HN 0.534 nan 8.150 nan 0.000 0.443 179 A N -1.191 121.638 122.820 0.016 0.000 1.929 179 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 179 A C 2.165 179.770 177.584 0.035 0.000 1.176 179 A CA 1.966 54.030 52.037 0.045 0.000 0.628 179 A CB -0.437 18.614 19.000 0.084 0.000 0.816 179 A HN 0.537 nan 8.150 nan 0.000 0.444 180 M N 0.378 119.995 119.600 0.029 0.000 2.175 180 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 180 M C 1.695 178.011 176.300 0.028 0.000 1.063 180 M CA 2.019 57.342 55.300 0.038 0.000 1.119 180 M CB -0.553 32.069 32.600 0.037 0.000 1.377 180 M HN 0.508 nan 8.290 nan 0.000 0.415 181 N N -0.203 118.504 118.700 0.012 0.000 2.120 181 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 181 N C 1.507 177.026 175.510 0.015 0.000 1.024 181 N CA 1.585 54.642 53.050 0.012 0.000 0.852 181 N CB -0.278 38.210 38.487 0.002 0.000 1.003 181 N HN 0.408 nan 8.380 nan 0.000 0.424 182 L N 0.315 121.548 121.223 0.017 0.000 2.027 182 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 182 L C 2.349 179.230 176.870 0.018 0.000 1.074 182 L CA 1.493 56.344 54.840 0.018 0.000 0.745 182 L CB -0.978 41.093 42.059 0.020 0.000 0.898 182 L HN 0.255 nan 8.230 nan 0.000 0.433 183 V N -0.849 119.079 119.914 0.022 0.000 2.392 183 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 183 V C 2.587 178.689 176.094 0.013 0.000 1.059 183 V CA 2.006 64.317 62.300 0.019 0.000 1.051 183 V CB -0.662 31.177 31.823 0.025 0.000 0.658 183 V HN 0.571 nan 8.190 nan 0.000 0.455 184 R N 0.897 121.406 120.500 0.016 0.000 2.081 184 R HA 0.014 4.354 4.340 -0.000 0.000 0.235 184 R C 2.634 178.939 176.300 0.009 0.000 1.131 184 R CA 1.560 57.665 56.100 0.009 0.000 0.960 184 R CB -0.875 29.434 30.300 0.016 0.000 0.856 184 R HN 0.632 nan 8.270 nan 0.000 0.436 185 A N 1.297 124.125 122.820 0.013 0.000 1.940 185 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 185 A C 2.175 179.770 177.584 0.019 0.000 1.176 185 A CA 1.252 53.297 52.037 0.015 0.000 0.631 185 A CB -0.491 18.519 19.000 0.016 0.000 0.814 185 A HN 0.182 nan 8.150 nan 0.000 0.446 186 L N -0.328 120.907 121.223 0.020 0.000 2.109 186 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 186 L C 2.786 179.676 176.870 0.032 0.000 1.086 186 L CA 1.631 56.489 54.840 0.029 0.000 0.760 186 L CB -0.629 41.445 42.059 0.025 0.000 0.910 186 L HN 0.611 nan 8.230 nan 0.000 0.437 187 T N -4.197 110.367 114.554 0.017 0.000 3.085 187 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 187 T C 1.316 176.021 174.700 0.009 0.000 1.127 187 T CA 0.725 62.832 62.100 0.011 0.000 1.103 187 T CB -0.199 68.658 68.868 -0.018 0.000 0.921 187 T HN 0.317 nan 8.240 nan 0.000 0.510 188 S N 1.132 116.839 115.700 0.010 0.000 2.537 188 S HA 0.472 4.942 4.470 -0.000 0.000 0.246 188 S C 0.516 175.128 174.600 0.020 0.000 1.036 188 S CA -0.564 57.642 58.200 0.011 0.000 1.041 188 S CB -0.199 63.003 63.200 0.004 0.000 0.799 188 S HN 0.641 nan 8.310 nan 0.000 0.456 189 S N -0.010 115.709 115.700 0.031 0.000 2.798 189 S HA 0.767 5.237 4.470 -0.000 0.000 0.312 189 S C 1.269 175.899 174.600 0.049 0.000 1.122 189 S CA -0.235 57.988 58.200 0.038 0.000 0.949 189 S CB 0.595 63.822 63.200 0.046 0.000 1.235 189 S HN 0.239 nan 8.310 nan 0.000 0.552 190 G N -0.152 108.680 108.800 0.053 0.000 2.509 190 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 190 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 190 G C 1.130 176.078 174.900 0.079 0.000 1.124 190 G CA 0.645 45.775 45.100 0.050 0.000 0.776 190 G HN 0.651 nan 8.290 nan 0.000 0.547 191 L N 0.875 122.178 121.223 0.133 0.000 2.131 191 L HA 0.122 4.462 4.340 -0.000 0.000 0.210 191 L C 2.865 179.857 176.870 0.202 0.000 1.092 191 L CA 1.961 56.951 54.840 0.250 0.000 0.759 191 L CB -0.145 42.048 42.059 0.224 0.000 0.903 191 L HN 0.192 nan 8.230 nan 0.000 0.435 192 A N -1.523 121.366 122.820 0.114 0.000 2.123 192 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 192 A C 1.481 179.101 177.584 0.059 0.000 1.152 192 A CA 0.638 52.727 52.037 0.087 0.000 0.728 192 A CB -0.625 18.408 19.000 0.056 0.000 0.814 192 A HN 0.458 nan 8.150 nan 0.000 0.464 193 S N 0.087 115.814 115.700 0.044 0.000 2.544 193 S HA 0.157 4.627 4.470 -0.000 0.000 0.290 193 S C 1.043 175.657 174.600 0.023 0.000 1.276 193 S CA -0.346 57.882 58.200 0.047 0.000 1.075 193 S CB -0.060 63.166 63.200 0.043 0.000 0.849 193 S HN 0.384 nan 8.310 nan 0.000 0.494 194 L N 4.540 125.780 121.223 0.029 0.000 2.265 194 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 194 L C 2.335 179.116 176.870 -0.149 0.000 1.117 194 L CA 1.085 55.878 54.840 -0.079 0.000 0.782 194 L CB -0.555 41.405 42.059 -0.166 0.000 0.914 194 L HN 0.810 nan 8.230 nan 0.000 0.441 195 H N -1.008 118.023 119.070 -0.064 0.000 2.355 195 H HA -0.094 4.462 4.556 -0.000 0.000 0.303 195 H C 2.148 177.379 175.328 -0.162 0.000 1.061 195 H CA 1.257 57.264 56.048 -0.068 0.000 1.368 195 H CB 0.062 29.791 29.762 -0.054 0.000 1.412 195 H HN 0.188 nan 8.280 nan 0.000 0.523 196 L N 1.190 122.328 121.223 -0.141 0.000 1.989 196 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 196 L C 2.392 178.773 176.870 -0.815 0.000 1.071 196 L CA 1.253 55.815 54.840 -0.463 0.000 0.749 196 L CB -0.865 40.914 42.059 -0.466 0.000 0.890 196 L HN -0.061 nan 8.230 nan 0.000 0.431 197 V N -0.433 119.103 119.914 -0.629 0.000 2.439 197 V HA -0.370 3.750 4.120 -0.000 0.000 0.253 197 V C 2.500 178.547 176.094 -0.079 0.000 1.074 197 V CA 2.282 64.352 62.300 -0.383 0.000 1.076 197 V CB -1.068 30.770 31.823 0.026 0.000 0.664 197 V HN 0.747 nan 8.190 nan 0.000 0.461 198 H N -0.428 118.535 119.070 -0.179 0.000 2.547 198 H HA 0.013 4.569 4.556 -0.000 0.000 0.272 198 H C 1.845 177.151 175.328 -0.037 0.000 0.971 198 H CA 0.789 56.802 56.048 -0.057 0.000 1.245 198 H CB 0.059 29.779 29.762 -0.070 0.000 1.440 198 H HN 0.387 nan 8.280 nan 0.000 0.540 199 D N -0.002 120.263 120.400 -0.224 0.000 2.218 199 D HA -0.192 4.448 4.640 -0.000 0.000 0.204 199 D C 1.477 177.728 176.300 -0.082 0.000 0.976 199 D CA 0.572 54.449 54.000 -0.206 0.000 0.853 199 D CB -0.289 40.389 40.800 -0.203 0.000 0.939 199 D HN 0.507 nan 8.370 nan 0.000 0.481 200 W N 1.824 123.113 121.300 -0.018 0.000 2.335 200 W HA -0.094 4.566 4.660 -0.000 0.000 0.311 200 W C 1.935 178.469 176.519 0.023 0.000 1.213 200 W CA 0.477 57.826 57.345 0.007 0.000 1.274 200 W CB -1.308 28.162 29.460 0.017 0.000 1.148 200 W HN 0.050 nan 8.180 nan 0.000 0.498 201 N N 0.406 119.229 118.700 0.205 0.000 2.272 201 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 201 N C 1.663 177.273 175.510 0.167 0.000 1.014 201 N CA 1.369 54.536 53.050 0.195 0.000 0.870 201 N CB -0.661 37.927 38.487 0.168 0.000 0.975 201 N HN 0.254 nan 8.380 nan 0.000 0.433 202 R N 0.605 121.087 120.500 -0.029 0.000 2.100 202 R HA 0.042 4.381 4.340 -0.000 0.000 0.220 202 R C 2.567 178.882 176.300 0.026 0.000 1.091 202 R CA 1.264 57.352 56.100 -0.021 0.000 0.986 202 R CB -0.430 29.817 30.300 -0.089 0.000 0.888 202 R HN 0.390 nan 8.270 nan 0.000 0.444 203 E N 1.165 121.410 120.200 0.076 0.000 2.097 203 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 203 E C 1.557 178.198 176.600 0.068 0.000 1.000 203 E CA 1.644 58.092 56.400 0.080 0.000 0.804 203 E CB -0.934 28.848 29.700 0.136 0.000 0.740 203 E HN 0.439 nan 8.360 nan 0.000 0.454 204 F N 1.125 121.082 119.950 0.011 0.000 2.095 204 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 204 F C 2.402 178.172 175.800 -0.051 0.000 1.104 204 F CA 2.010 60.000 58.000 -0.018 0.000 1.232 204 F CB -0.509 38.487 39.000 -0.006 0.000 0.987 204 F HN 0.078 nan 8.300 nan 0.000 0.475 205 V N 1.020 120.673 119.914 -0.435 0.000 2.490 205 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 205 V C 2.550 178.450 176.094 -0.324 0.000 1.061 205 V CA 2.235 64.243 62.300 -0.485 0.000 1.064 205 V CB -0.724 30.995 31.823 -0.173 0.000 0.670 205 V HN 0.346 nan 8.190 nan 0.000 0.461 206 R N 0.072 120.450 120.500 -0.202 0.000 2.112 206 R HA 0.005 4.345 4.340 -0.000 0.000 0.216 206 R C 1.240 177.457 176.300 -0.138 0.000 1.080 206 R CA 1.267 57.287 56.100 -0.133 0.000 0.996 206 R CB -0.118 30.139 30.300 -0.072 0.000 0.902 206 R HN 0.619 nan 8.270 nan 0.000 0.449 207 T N -0.899 113.569 114.554 -0.144 0.000 3.281 207 T HA 0.382 4.732 4.350 -0.000 0.000 0.359 207 T C -0.404 174.192 174.700 -0.172 0.000 1.459 207 T CA -0.452 61.579 62.100 -0.114 0.000 1.114 207 T CB 0.834 69.671 68.868 -0.053 0.000 1.162 207 T HN 0.015 nan 8.240 nan 0.000 0.665 208 S N 2.651 118.228 115.700 -0.204 0.000 2.583 208 S HA 0.440 4.910 4.470 -0.000 0.000 0.294 208 S C -2.608 171.893 174.600 -0.166 0.000 1.121 208 S CA -0.875 57.181 58.200 -0.240 0.000 0.910 208 S CB 1.521 64.395 63.200 -0.543 0.000 1.102 208 S HN 0.219 nan 8.310 nan 0.000 0.451 209 P HA 0.155 nan 4.420 nan 0.000 0.220 209 P C 0.969 178.224 177.300 -0.075 0.000 1.148 209 P CA 1.163 64.217 63.100 -0.076 0.000 0.803 209 P CB 0.121 31.791 31.700 -0.050 0.000 0.782 210 A N -0.668 122.116 122.820 -0.060 0.000 2.307 210 A HA 0.340 4.660 4.320 -0.000 0.000 0.218 210 A C 2.178 179.701 177.584 -0.103 0.000 1.228 210 A CA 0.574 52.583 52.037 -0.047 0.000 0.857 210 A CB -1.305 17.754 19.000 0.098 0.000 0.897 210 A HN 0.200 nan 8.150 nan 0.000 0.495 211 G N 0.713 109.422 108.800 -0.152 0.000 2.556 211 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 211 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 211 G C 1.656 176.463 174.900 -0.155 0.000 1.156 211 G CA 1.319 46.299 45.100 -0.199 0.000 0.766 211 G HN 0.869 nan 8.290 nan 0.000 0.583 212 A N -0.118 122.618 122.820 -0.141 0.000 2.186 212 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 212 A C 2.291 179.773 177.584 -0.170 0.000 1.159 212 A CA 1.765 53.727 52.037 -0.125 0.000 0.680 212 A CB -0.362 18.577 19.000 -0.101 0.000 0.787 212 A HN 0.418 nan 8.150 nan 0.000 0.467 213 R N -2.211 118.111 120.500 -0.297 0.000 2.140 213 R HA 0.002 4.342 4.340 -0.000 0.000 0.213 213 R C 0.594 176.602 176.300 -0.486 0.000 1.059 213 R CA 0.963 56.768 56.100 -0.492 0.000 1.000 213 R CB -0.004 29.783 30.300 -0.856 0.000 0.910 213 R HN 0.589 nan 8.270 nan 0.000 0.455 214 Y N -0.136 120.090 120.300 -0.124 0.000 2.507 214 Y HA 0.224 4.774 4.550 -0.000 0.000 0.254 214 Y C 1.766 177.614 175.900 -0.087 0.000 1.171 214 Y CA -0.365 57.625 58.100 -0.183 0.000 1.238 214 Y CB 0.387 38.511 38.460 -0.559 0.000 1.148 214 Y HN 0.031 nan 8.280 nan 0.000 0.525 215 E N 0.863 121.085 120.200 0.037 0.000 2.028 215 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 215 E C 2.313 178.970 176.600 0.096 0.000 0.984 215 E CA 0.994 57.421 56.400 0.044 0.000 0.800 215 E CB 0.098 29.791 29.700 -0.012 0.000 0.758 215 E HN 0.382 nan 8.360 nan 0.000 0.448 216 A N 1.562 124.427 122.820 0.076 0.000 1.892 216 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 216 A C 2.232 179.893 177.584 0.127 0.000 1.188 216 A CA 1.773 53.858 52.037 0.081 0.000 0.631 216 A CB -0.795 18.240 19.000 0.058 0.000 0.822 216 A HN 0.330 nan 8.150 nan 0.000 0.447 217 L N -0.565 120.784 121.223 0.211 0.000 2.093 217 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 217 L C 2.630 179.670 176.870 0.283 0.000 1.085 217 L CA 2.114 57.110 54.840 0.260 0.000 0.755 217 L CB -0.781 41.510 42.059 0.387 0.000 0.904 217 L HN 0.333 nan 8.230 nan 0.000 0.435 218 A N -1.473 121.626 122.820 0.464 0.000 1.933 218 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 218 A C 2.265 180.003 177.584 0.256 0.000 1.175 218 A CA 2.246 54.559 52.037 0.461 0.000 0.628 218 A CB -1.180 18.067 19.000 0.411 0.000 0.814 218 A HN 0.502 nan 8.150 nan 0.000 0.444 219 T N -0.714 113.928 114.554 0.147 0.000 2.821 219 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 219 T C 1.838 176.546 174.700 0.014 0.000 1.046 219 T CA 1.451 63.600 62.100 0.081 0.000 1.139 219 T CB -0.169 68.733 68.868 0.056 0.000 0.871 219 T HN 0.689 nan 8.240 nan 0.000 0.454 220 E N 0.492 120.673 120.200 -0.032 0.000 2.077 220 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 220 E C 2.097 178.445 176.600 -0.420 0.000 0.989 220 E CA 0.922 57.239 56.400 -0.138 0.000 0.800 220 E CB -0.170 29.487 29.700 -0.071 0.000 0.746 220 E HN 0.483 nan 8.360 nan 0.000 0.452 221 I N 0.860 121.083 120.570 -0.578 0.000 2.286 221 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 221 I C 2.212 178.039 176.117 -0.484 0.000 1.115 221 I CA 1.348 62.118 61.300 -0.884 0.000 1.392 221 I CB -0.274 37.203 38.000 -0.871 0.000 1.065 221 I HN 0.172 nan 8.210 nan 0.000 0.418 222 D N 0.944 121.249 120.400 -0.158 0.000 2.117 222 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 222 D C 2.293 178.596 176.300 0.004 0.000 0.982 222 D CA 1.315 55.329 54.000 0.024 0.000 0.828 222 D CB 0.078 40.965 40.800 0.145 0.000 0.967 222 D HN 0.070 nan 8.370 nan 0.000 0.464 223 R N -0.510 119.982 120.500 -0.013 0.000 2.189 223 R HA 0.060 4.400 4.340 -0.000 0.000 0.223 223 R C 2.327 178.658 176.300 0.051 0.000 1.092 223 R CA 1.021 57.136 56.100 0.024 0.000 0.989 223 R CB -0.291 30.012 30.300 0.005 0.000 0.876 223 R HN 0.214 nan 8.270 nan 0.000 0.457 224 G N 0.754 109.545 108.800 -0.015 0.000 2.404 224 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 224 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 224 G C 1.338 176.319 174.900 0.135 0.000 1.174 224 G CA 0.412 45.569 45.100 0.095 0.000 0.780 224 G HN 0.151 nan 8.290 nan 0.000 0.537 225 L N -0.383 120.847 121.223 0.011 0.000 2.093 225 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 225 L C 3.132 180.100 176.870 0.163 0.000 1.085 225 L CA 0.853 55.678 54.840 -0.025 0.000 0.755 225 L CB -0.176 41.771 42.059 -0.187 0.000 0.904 225 L HN 0.126 nan 8.230 nan 0.000 0.435 226 R N -1.169 119.430 120.500 0.165 0.000 2.153 226 R HA -0.108 4.232 4.340 -0.000 0.000 0.218 226 R C 2.153 178.570 176.300 0.194 0.000 1.072 226 R CA 1.002 57.209 56.100 0.179 0.000 0.990 226 R CB -0.283 30.098 30.300 0.135 0.000 0.889 226 R HN 0.234 nan 8.270 nan 0.000 0.452 227 F N 1.216 121.200 119.950 0.055 0.000 2.113 227 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 227 F C 2.340 178.171 175.800 0.053 0.000 1.103 227 F CA 1.362 59.390 58.000 0.047 0.000 1.248 227 F CB -0.029 38.998 39.000 0.045 0.000 0.999 227 F HN -0.100 nan 8.300 nan 0.000 0.475 228 M N -0.232 119.414 119.600 0.078 0.000 2.082 228 M HA -0.277 4.203 4.480 -0.000 0.000 0.258 228 M C 2.500 178.773 176.300 -0.044 0.000 1.069 228 M CA 2.275 57.558 55.300 -0.028 0.000 1.102 228 M CB -0.341 32.311 32.600 0.086 0.000 1.336 228 M HN 0.329 nan 8.290 nan 0.000 0.404 229 S N -0.326 115.405 115.700 0.051 0.000 2.406 229 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 229 S C 1.851 176.420 174.600 -0.051 0.000 1.020 229 S CA 0.940 59.145 58.200 0.008 0.000 0.965 229 S CB -0.313 62.891 63.200 0.007 0.000 0.798 229 S HN 0.580 nan 8.310 nan 0.000 0.488 230 A N 0.097 122.880 122.820 -0.061 0.000 2.014 230 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 230 A C 2.044 179.548 177.584 -0.134 0.000 1.163 230 A CA 1.051 53.045 52.037 -0.071 0.000 0.652 230 A CB -1.109 17.877 19.000 -0.023 0.000 0.808 230 A HN 0.687 nan 8.150 nan 0.000 0.449 231 C N -0.364 118.794 119.300 -0.237 0.000 2.507 231 C HA 0.414 4.874 4.460 -0.000 0.000 0.301 231 C C 2.003 176.911 174.990 -0.136 0.000 1.351 231 C CA 0.229 59.103 59.018 -0.240 0.000 1.650 231 C CB -1.669 25.833 27.740 -0.397 0.000 1.676 231 C HN 0.981 nan 8.230 nan 0.000 0.594 232 G N 0.274 109.015 108.800 -0.098 0.000 2.184 232 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 232 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 232 G C 0.151 175.018 174.900 -0.055 0.000 0.975 232 G CA 0.362 45.422 45.100 -0.067 0.000 0.642 232 G HN 0.460 nan 8.290 nan 0.000 0.536 233 V N 1.403 121.284 119.914 -0.055 0.000 2.403 233 V HA 0.560 4.680 4.120 -0.000 0.000 0.265 233 V C 0.931 177.018 176.094 -0.012 0.000 1.034 233 V CA 0.221 62.507 62.300 -0.024 0.000 1.036 233 V CB 0.500 32.320 31.823 -0.005 0.000 1.032 233 V HN 1.037 nan 8.190 nan 0.000 0.478 234 A N 3.262 126.070 122.820 -0.019 0.000 2.306 234 A HA 0.510 4.830 4.320 -0.000 0.000 0.330 234 A C 1.064 178.645 177.584 -0.006 0.000 1.146 234 A CA -0.509 51.508 52.037 -0.035 0.000 0.827 234 A CB 0.615 19.590 19.000 -0.042 0.000 1.178 234 A HN 0.725 nan 8.150 nan 0.000 0.490 235 D N 0.634 121.027 120.400 -0.012 0.000 2.242 235 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 235 D C 1.866 178.176 176.300 0.017 0.000 1.012 235 D CA 2.260 56.272 54.000 0.020 0.000 0.875 235 D CB 0.058 40.858 40.800 0.001 0.000 0.922 235 D HN 0.698 nan 8.370 nan 0.000 0.448 236 R N 0.321 120.822 120.500 0.002 0.000 2.319 236 R HA 0.104 4.444 4.340 -0.000 0.000 0.204 236 R C 0.380 176.681 176.300 0.002 0.000 0.954 236 R CA 0.373 56.474 56.100 0.002 0.000 1.066 236 R CB -0.565 29.733 30.300 -0.004 0.000 0.991 236 R HN 0.256 nan 8.270 nan 0.000 0.486 237 N N 0.358 119.061 118.700 0.005 0.000 2.214 237 N HA 0.164 4.904 4.740 -0.000 0.000 0.214 237 N C 0.788 176.304 175.510 0.010 0.000 1.132 237 N CA -0.108 52.945 53.050 0.004 0.000 0.856 237 N CB 0.477 38.964 38.487 -0.001 0.000 1.020 237 N HN 0.171 nan 8.380 nan 0.000 0.509 238 L N -0.253 120.980 121.223 0.016 0.000 2.547 238 L HA 0.189 4.529 4.340 -0.000 0.000 0.218 238 L C 0.237 177.118 176.870 0.017 0.000 1.048 238 L CA 0.260 55.113 54.840 0.021 0.000 0.859 238 L CB 0.510 42.588 42.059 0.033 0.000 1.128 238 L HN 0.110 nan 8.230 nan 0.000 0.483 239 Q N 1.381 121.189 119.800 0.014 0.000 3.108 239 Q HA -0.112 4.228 4.340 -0.000 0.000 0.082 239 Q C -0.696 175.310 176.000 0.010 0.000 1.629 239 Q CA 0.381 56.190 55.803 0.010 0.000 0.279 239 Q CB -0.231 28.514 28.738 0.012 0.000 0.574 239 Q HN 0.375 nan 8.270 nan 0.000 0.322 240 T N 0.864 115.420 114.554 0.003 0.000 2.816 240 T HA 0.801 5.151 4.350 -0.000 0.000 0.282 240 T C 0.625 175.320 174.700 -0.009 0.000 0.993 240 T CA -0.257 61.844 62.100 0.002 0.000 0.994 240 T CB 1.319 70.188 68.868 0.002 0.000 1.025 240 T HN 0.905 nan 8.240 nan 0.000 0.529 241 A N 0.643 123.458 122.820 -0.007 0.000 2.407 241 A HA 0.425 4.745 4.320 -0.000 0.000 0.248 241 A C 0.166 177.709 177.584 -0.069 0.000 1.082 241 A CA -0.521 51.506 52.037 -0.017 0.000 0.785 241 A CB -0.222 18.781 19.000 0.005 0.000 1.020 241 A HN 0.865 nan 8.150 nan 0.000 0.489 242 E N 1.049 121.182 120.200 -0.111 0.000 2.185 242 E HA 0.473 4.823 4.350 -0.000 0.000 0.261 242 E C -1.386 175.034 176.600 -0.300 0.000 0.879 242 E CA -0.055 56.175 56.400 -0.282 0.000 0.756 242 E CB 1.612 31.114 29.700 -0.330 0.000 1.152 242 E HN 0.586 nan 8.360 nan 0.000 0.416 243 I N 3.676 124.073 120.570 -0.288 0.000 2.362 243 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 243 I C -0.764 175.212 176.117 -0.235 0.000 0.994 243 I CA -0.762 60.437 61.300 -0.167 0.000 1.158 243 I CB 0.652 38.630 38.000 -0.036 0.000 1.315 243 I HN 0.428 nan 8.210 nan 0.000 0.451 244 Y N 4.250 124.544 120.300 -0.010 0.000 2.335 244 Y HA 0.608 5.158 4.550 -0.000 0.000 0.323 244 Y C 0.669 176.704 175.900 0.226 0.000 1.224 244 Y CA -0.597 57.521 58.100 0.029 0.000 1.241 244 Y CB 1.148 39.544 38.460 -0.107 0.000 1.235 244 Y HN 0.559 nan 8.280 nan 0.000 0.492 245 A N 1.771 124.966 122.820 0.625 0.000 2.306 245 A HA 0.732 5.052 4.320 -0.000 0.000 0.314 245 A C -0.420 177.338 177.584 0.289 0.000 1.164 245 A CA -0.240 52.005 52.037 0.346 0.000 0.822 245 A CB 0.341 19.483 19.000 0.236 0.000 1.130 245 A HN 0.756 nan 8.150 nan 0.000 0.496 246 S N 1.558 117.401 115.700 0.238 0.000 2.556 246 S HA 0.858 5.328 4.470 -0.000 0.000 0.271 246 S C -0.847 173.873 174.600 0.200 0.000 1.135 246 S CA -0.634 57.682 58.200 0.193 0.000 0.858 246 S CB 1.495 64.873 63.200 0.296 0.000 1.114 246 S HN 1.398 nan 8.310 nan 0.000 0.468 247 H N -0.334 118.692 119.070 -0.074 0.000 2.960 247 H HA 0.508 5.064 4.556 -0.000 0.000 0.323 247 H C -1.165 173.385 175.328 -1.296 0.000 1.326 247 H CA -0.675 55.104 56.048 -0.449 0.000 1.124 247 H CB 1.108 30.738 29.762 -0.220 0.000 1.853 247 H HN 0.826 nan 8.280 nan 0.000 0.536 248 E N 0.825 120.218 120.200 -1.346 0.000 2.366 248 E HA 0.343 4.693 4.350 -0.000 0.000 0.266 248 E C -0.362 175.997 176.600 -0.402 0.000 1.015 248 E CA -0.376 55.254 56.400 -1.284 0.000 0.906 248 E CB 0.513 29.778 29.700 -0.724 0.000 0.979 248 E HN 0.612 nan 8.360 nan 0.000 0.443 249 A N 5.645 128.253 122.820 -0.354 0.000 2.666 249 A HA 0.116 4.436 4.320 -0.000 0.000 0.301 249 A C 0.172 177.769 177.584 0.021 0.000 1.470 249 A CA -0.239 51.769 52.037 -0.049 0.000 1.159 249 A CB -0.030 18.969 19.000 -0.001 0.000 1.116 249 A HN 0.699 nan 8.150 nan 0.000 0.548 250 L N 3.673 124.917 121.223 0.035 0.000 2.519 250 L HA 0.288 4.628 4.340 -0.000 0.000 0.194 250 L C 0.499 177.439 176.870 0.115 0.000 1.072 250 L CA 1.242 56.119 54.840 0.061 0.000 0.845 250 L CB 0.422 42.449 42.059 -0.054 0.000 1.138 250 L HN 0.292 nan 8.230 nan 0.000 0.487 251 V N 2.483 122.422 119.914 0.042 0.000 2.339 251 V HA 0.127 4.247 4.120 -0.000 0.000 0.261 251 V C 1.377 177.489 176.094 0.030 0.000 1.058 251 V CA -0.041 62.282 62.300 0.039 0.000 0.897 251 V CB 0.816 32.678 31.823 0.066 0.000 1.052 251 V HN 0.299 nan 8.190 nan 0.000 0.480 252 L N 1.903 123.077 121.223 -0.082 0.000 2.275 252 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 252 L C 1.935 178.761 176.870 -0.074 0.000 1.119 252 L CA 0.911 55.614 54.840 -0.228 0.000 0.790 252 L CB -0.206 41.656 42.059 -0.330 0.000 0.919 252 L HN 0.591 nan 8.230 nan 0.000 0.443 253 D N -0.660 119.791 120.400 0.085 0.000 2.117 253 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 253 D C 1.854 178.252 176.300 0.163 0.000 0.987 253 D CA 1.307 55.403 54.000 0.160 0.000 0.829 253 D CB -0.058 40.932 40.800 0.318 0.000 0.961 253 D HN 0.293 nan 8.370 nan 0.000 0.460 254 Y N 1.999 122.342 120.300 0.072 0.000 2.109 254 Y HA -0.163 4.387 4.550 -0.000 0.000 0.285 254 Y C 2.175 178.114 175.900 0.064 0.000 1.131 254 Y CA 1.445 59.587 58.100 0.070 0.000 1.121 254 Y CB 0.014 38.527 38.460 0.088 0.000 0.987 254 Y HN -0.176 nan 8.280 nan 0.000 0.495 255 E N 0.713 120.968 120.200 0.091 0.000 2.118 255 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 255 E C 2.206 178.878 176.600 0.120 0.000 0.992 255 E CA 1.810 58.246 56.400 0.060 0.000 0.804 255 E CB -0.516 29.110 29.700 -0.123 0.000 0.741 255 E HN 0.701 nan 8.360 nan 0.000 0.458 256 R N 0.779 121.305 120.500 0.043 0.000 2.090 256 R HA 0.153 4.493 4.340 -0.000 0.000 0.228 256 R C 2.245 178.580 176.300 0.059 0.000 1.110 256 R CA 1.212 57.399 56.100 0.144 0.000 0.973 256 R CB -0.476 29.889 30.300 0.107 0.000 0.869 256 R HN 0.062 nan 8.270 nan 0.000 0.440 257 A N 1.381 124.192 122.820 -0.015 0.000 2.070 257 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 257 A C 1.915 179.433 177.584 -0.110 0.000 1.159 257 A CA 1.021 53.017 52.037 -0.067 0.000 0.656 257 A CB -0.179 18.763 19.000 -0.097 0.000 0.800 257 A HN 0.271 nan 8.150 nan 0.000 0.453 258 M N -0.235 119.288 119.600 -0.127 0.000 2.428 258 M HA 0.303 4.783 4.480 -0.000 0.000 0.239 258 M C 0.030 176.332 176.300 0.003 0.000 1.121 258 M CA 0.015 55.245 55.300 -0.116 0.000 1.019 258 M CB -0.931 31.548 32.600 -0.203 0.000 1.485 258 M HN 0.213 nan 8.290 nan 0.000 0.484 259 L N 1.938 123.190 121.223 0.049 0.000 2.456 259 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 259 L C 0.531 177.429 176.870 0.045 0.000 1.189 259 L CA 0.308 55.190 54.840 0.069 0.000 0.846 259 L CB 0.173 42.274 42.059 0.071 0.000 1.111 259 L HN 0.151 nan 8.230 nan 0.000 0.475 260 R N 2.507 123.051 120.500 0.072 0.000 2.774 260 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 260 R C -1.403 174.964 176.300 0.111 0.000 1.000 260 R CA -1.091 55.049 56.100 0.066 0.000 0.906 260 R CB 2.024 32.352 30.300 0.046 0.000 1.227 260 R HN 0.321 nan 8.270 nan 0.000 0.468 261 L N 1.305 122.577 121.223 0.082 0.000 2.282 261 L HA 0.376 4.716 4.340 -0.000 0.000 0.288 261 L C 0.161 177.090 176.870 0.098 0.000 1.033 261 L CA 0.012 54.912 54.840 0.100 0.000 0.807 261 L CB 1.473 43.563 42.059 0.052 0.000 1.209 261 L HN 0.801 nan 8.230 nan 0.000 0.423 262 S N 2.002 117.800 115.700 0.164 0.000 2.614 262 S HA 0.398 4.868 4.470 -0.000 0.000 0.265 262 S C -0.031 174.599 174.600 0.048 0.000 1.303 262 S CA -0.394 57.854 58.200 0.081 0.000 1.000 262 S CB 0.787 64.104 63.200 0.194 0.000 0.935 262 S HN 0.746 nan 8.310 nan 0.000 0.551 263 D N 0.583 120.988 120.400 0.008 0.000 2.348 263 D HA 0.359 4.999 4.640 -0.000 0.000 0.272 263 D C 1.551 177.861 176.300 0.017 0.000 1.237 263 D CA 0.043 54.047 54.000 0.007 0.000 1.042 263 D CB -0.742 40.052 40.800 -0.010 0.000 1.117 263 D HN 0.554 nan 8.370 nan 0.000 0.548 264 G N -2.170 106.635 108.800 0.009 0.000 2.430 264 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 264 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 264 G C 1.337 176.242 174.900 0.008 0.000 1.146 264 G CA 0.762 45.868 45.100 0.010 0.000 0.793 264 G HN 0.766 nan 8.290 nan 0.000 0.537 265 D N 0.226 120.628 120.400 0.003 0.000 2.389 265 D HA 0.215 4.855 4.640 -0.000 0.000 0.250 265 D C 0.758 177.061 176.300 0.005 0.000 1.136 265 D CA 0.876 54.876 54.000 0.001 0.000 0.945 265 D CB -0.307 40.490 40.800 -0.005 0.000 0.890 265 D HN 0.232 nan 8.370 nan 0.000 0.525 266 D N -1.900 118.508 120.400 0.014 0.000 2.996 266 D HA 0.443 5.083 4.640 -0.000 0.000 0.343 266 D C 0.849 177.166 176.300 0.029 0.000 1.574 266 D CA 0.904 54.917 54.000 0.023 0.000 0.773 266 D CB 0.381 41.200 40.800 0.032 0.000 1.241 266 D HN 0.562 nan 8.370 nan 0.000 0.469 267 G N 0.297 109.108 108.800 0.018 0.000 2.395 267 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.201 267 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.201 267 G C -0.700 174.207 174.900 0.011 0.000 1.206 267 G CA -0.869 44.237 45.100 0.009 0.000 1.210 267 G HN 0.129 nan 8.290 nan 0.000 0.557 268 E N 1.822 122.024 120.200 0.004 0.000 2.354 268 E HA 0.447 4.797 4.350 -0.000 0.000 0.269 268 E C -2.052 174.562 176.600 0.023 0.000 1.036 268 E CA -1.325 55.078 56.400 0.005 0.000 0.876 268 E CB 0.933 30.627 29.700 -0.010 0.000 1.009 268 E HN 0.175 nan 8.360 nan 0.000 0.416 269 P HA 0.001 nan 4.420 nan 0.000 0.269 269 P C -1.085 176.239 177.300 0.040 0.000 1.209 269 P CA 0.360 63.491 63.100 0.051 0.000 0.776 269 P CB 0.542 32.265 31.700 0.039 0.000 0.876 270 Q N 0.734 120.582 119.800 0.080 0.000 2.379 270 Q HA 0.426 4.766 4.340 -0.000 0.000 0.278 270 Q C -0.944 175.068 176.000 0.021 0.000 1.068 270 Q CA -0.913 54.880 55.803 -0.016 0.000 0.816 270 Q CB 2.002 30.660 28.738 -0.133 0.000 1.387 270 Q HN 0.322 nan 8.270 nan 0.000 0.413 271 L N 2.367 123.531 121.223 -0.098 0.000 2.313 271 L HA 0.358 4.698 4.340 -0.000 0.000 0.282 271 L C -0.808 175.936 176.870 -0.210 0.000 1.092 271 L CA 0.073 54.872 54.840 -0.068 0.000 0.831 271 L CB -0.002 41.989 42.059 -0.113 0.000 1.159 271 L HN 0.418 nan 8.230 nan 0.000 0.442 272 F N 1.189 121.110 119.950 -0.047 0.000 2.443 272 F HA 0.229 4.756 4.527 -0.000 0.000 0.335 272 F C 0.562 176.349 175.800 -0.021 0.000 1.104 272 F CA -0.819 57.161 58.000 -0.033 0.000 1.013 272 F CB 1.241 40.237 39.000 -0.006 0.000 1.136 272 F HN 0.363 nan 8.300 nan 0.000 0.470 273 D N 3.924 124.412 120.400 0.145 0.000 2.365 273 D HA 0.167 4.807 4.640 -0.000 0.000 0.237 273 D C 0.258 176.650 176.300 0.153 0.000 1.190 273 D CA 0.169 54.257 54.000 0.146 0.000 0.867 273 D CB 0.644 41.541 40.800 0.161 0.000 1.050 273 D HN 0.533 nan 8.370 nan 0.000 0.491 274 L N 3.114 124.409 121.223 0.120 0.000 2.728 274 L HA 0.033 4.373 4.340 -0.000 0.000 0.235 274 L C 1.865 178.783 176.870 0.080 0.000 1.197 274 L CA -0.061 54.828 54.840 0.081 0.000 0.992 274 L CB -0.106 41.987 42.059 0.058 0.000 1.263 274 L HN 0.304 nan 8.230 nan 0.000 0.484 275 S N -0.933 114.840 115.700 0.121 0.000 2.558 275 S HA 0.387 4.857 4.470 -0.000 0.000 0.217 275 S C 0.676 175.435 174.600 0.264 0.000 0.975 275 S CA 0.218 58.547 58.200 0.216 0.000 0.912 275 S CB 0.330 63.708 63.200 0.297 0.000 0.776 275 S HN 0.332 nan 8.310 nan 0.000 0.526 276 A N -0.335 122.552 122.820 0.112 0.000 2.515 276 A HA 0.644 4.964 4.320 -0.000 0.000 0.292 276 A C -0.264 177.279 177.584 -0.068 0.000 1.065 276 A CA -0.565 51.490 52.037 0.029 0.000 0.641 276 A CB -0.261 18.744 19.000 0.009 0.000 1.306 276 A HN 0.269 nan 8.150 nan 0.000 0.441 277 H N -0.541 118.615 119.070 0.143 0.000 2.399 277 H HA 0.313 4.869 4.556 -0.000 0.000 0.300 277 H C 0.813 176.187 175.328 0.077 0.000 1.048 277 H CA 1.894 58.029 56.048 0.144 0.000 1.370 277 H CB 0.551 30.455 29.762 0.237 0.000 1.428 277 H HN 0.676 nan 8.280 nan 0.000 0.534 278 T N 0.311 114.961 114.554 0.159 0.000 2.923 278 T HA 0.512 4.862 4.350 -0.000 0.000 0.311 278 T C -1.599 173.119 174.700 0.031 0.000 1.183 278 T CA -0.586 61.563 62.100 0.082 0.000 1.020 278 T CB 1.089 69.995 68.868 0.063 0.000 1.165 278 T HN 0.115 nan 8.240 nan 0.000 0.482 279 V N 1.799 121.718 119.914 0.008 0.000 3.007 279 V HA 1.036 5.156 4.120 -0.000 0.000 0.311 279 V C -1.150 174.991 176.094 0.078 0.000 1.120 279 V CA -1.186 61.046 62.300 -0.114 0.000 0.980 279 V CB 1.498 33.198 31.823 -0.206 0.000 1.033 279 V HN 1.105 nan 8.190 nan 0.000 0.429 280 W N 1.872 123.152 121.300 -0.034 0.000 2.850 280 W HA 0.939 5.599 4.660 -0.000 0.000 0.349 280 W C -1.519 174.995 176.519 -0.009 0.000 1.133 280 W CA -1.583 55.750 57.345 -0.019 0.000 1.117 280 W CB 1.149 30.606 29.460 -0.005 0.000 1.442 280 W HN 0.608 nan 8.180 nan 0.000 0.575 281 I N 2.604 123.293 120.570 0.198 0.000 2.406 281 I HA 0.537 4.707 4.170 -0.000 0.000 0.290 281 I C 0.829 177.006 176.117 0.100 0.000 0.999 281 I CA -0.892 60.440 61.300 0.054 0.000 1.124 281 I CB 1.379 39.395 38.000 0.028 0.000 1.289 281 I HN 0.773 nan 8.210 nan 0.000 0.441 282 G N 3.007 111.819 108.800 0.021 0.000 2.562 282 G HA2 0.118 4.078 3.960 -0.000 0.000 0.275 282 G HA3 0.118 4.078 3.960 -0.000 0.000 0.275 282 G C 0.617 175.488 174.900 -0.048 0.000 1.196 282 G CA -0.190 44.925 45.100 0.026 0.000 0.908 282 G HN 0.755 nan 8.290 nan 0.000 0.524 283 E N -0.486 119.685 120.200 -0.048 0.000 2.209 283 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 283 E C 2.303 178.883 176.600 -0.035 0.000 0.993 283 E CA 1.151 57.527 56.400 -0.040 0.000 0.819 283 E CB 0.087 29.767 29.700 -0.034 0.000 0.745 283 E HN 0.457 nan 8.360 nan 0.000 0.477 284 R N -1.291 119.175 120.500 -0.057 0.000 2.254 284 R HA 0.131 4.470 4.340 -0.000 0.000 0.195 284 R C 1.200 177.446 176.300 -0.089 0.000 0.957 284 R CA 1.325 57.392 56.100 -0.054 0.000 1.024 284 R CB 0.497 30.764 30.300 -0.054 0.000 0.952 284 R HN 0.208 nan 8.270 nan 0.000 0.484 285 T N -2.094 112.358 114.554 -0.170 0.000 3.129 285 T HA 0.114 4.464 4.350 -0.000 0.000 0.267 285 T C 0.939 175.548 174.700 -0.153 0.000 1.018 285 T CA -0.504 61.415 62.100 -0.301 0.000 0.903 285 T CB 0.132 68.492 68.868 -0.848 0.000 1.067 285 T HN 0.205 nan 8.240 nan 0.000 0.549 286 R N 0.688 121.166 120.500 -0.037 0.000 2.426 286 R HA 0.315 4.655 4.340 -0.000 0.000 0.263 286 R C -0.449 175.967 176.300 0.193 0.000 0.961 286 R CA -0.581 55.553 56.100 0.056 0.000 1.086 286 R CB -0.448 29.828 30.300 -0.039 0.000 1.186 286 R HN 0.186 nan 8.270 nan 0.000 0.537 287 Q N 1.093 120.975 119.800 0.137 0.000 2.436 287 Q HA -0.106 4.233 4.340 -0.000 0.000 0.326 287 Q C 0.879 176.968 176.000 0.149 0.000 1.079 287 Q CA 0.181 56.062 55.803 0.131 0.000 1.049 287 Q CB 0.541 29.335 28.738 0.094 0.000 1.047 287 Q HN 0.372 nan 8.270 nan 0.000 0.386 288 I N 1.948 122.576 120.570 0.097 0.000 2.361 288 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 288 I C 0.531 176.672 176.117 0.039 0.000 1.133 288 I CA 1.607 62.926 61.300 0.032 0.000 1.413 288 I CB 0.254 38.163 38.000 -0.152 0.000 1.073 288 I HN 0.610 nan 8.210 nan 0.000 0.424 289 D N 0.693 121.116 120.400 0.038 0.000 2.424 289 D HA 0.246 4.886 4.640 -0.000 0.000 0.220 289 D C 0.641 176.974 176.300 0.055 0.000 1.150 289 D CA 0.248 54.269 54.000 0.036 0.000 0.831 289 D CB 0.133 40.943 40.800 0.016 0.000 0.981 289 D HN 0.373 nan 8.370 nan 0.000 0.500 290 G N -0.232 108.620 108.800 0.086 0.000 2.522 290 G HA2 0.419 4.379 3.960 -0.000 0.000 0.304 290 G HA3 0.419 4.379 3.960 -0.000 0.000 0.304 290 G C 1.048 176.009 174.900 0.100 0.000 1.210 290 G CA -0.047 45.113 45.100 0.099 0.000 0.960 290 G HN 0.045 nan 8.290 nan 0.000 0.497 291 A N -0.938 121.921 122.820 0.066 0.000 1.969 291 A HA -0.001 4.318 4.320 -0.000 0.000 0.218 291 A C 1.960 179.544 177.584 -0.001 0.000 1.169 291 A CA 1.887 53.923 52.037 -0.001 0.000 0.635 291 A CB -0.670 18.263 19.000 -0.112 0.000 0.810 291 A HN 0.749 nan 8.150 nan 0.000 0.445 292 H N -0.280 118.828 119.070 0.064 0.000 2.299 292 H HA -0.031 4.525 4.556 -0.000 0.000 0.302 292 H C 1.959 177.370 175.328 0.137 0.000 1.078 292 H CA 1.708 57.801 56.048 0.076 0.000 1.323 292 H CB -0.095 29.685 29.762 0.030 0.000 1.381 292 H HN 0.322 nan 8.280 nan 0.000 0.498 293 I N 0.714 121.435 120.570 0.251 0.000 2.208 293 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 293 I C 2.531 178.739 176.117 0.151 0.000 1.097 293 I CA 1.369 62.786 61.300 0.195 0.000 1.363 293 I CB -1.301 36.828 38.000 0.215 0.000 1.051 293 I HN 0.305 nan 8.210 nan 0.000 0.413 294 A N 0.150 123.051 122.820 0.136 0.000 1.933 294 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 294 A C 2.281 179.933 177.584 0.113 0.000 1.175 294 A CA 1.301 53.397 52.037 0.098 0.000 0.628 294 A CB -0.876 18.172 19.000 0.079 0.000 0.814 294 A HN 0.403 nan 8.150 nan 0.000 0.444 295 F N 0.627 120.576 119.950 -0.002 0.000 2.149 295 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 295 F C 2.515 178.311 175.800 -0.007 0.000 1.095 295 F CA 0.997 58.987 58.000 -0.016 0.000 1.276 295 F CB -0.384 38.593 39.000 -0.039 0.000 1.023 295 F HN 0.240 nan 8.300 nan 0.000 0.480 296 A N 0.231 123.162 122.820 0.184 0.000 1.958 296 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 296 A C 2.064 179.616 177.584 -0.052 0.000 1.178 296 A CA 2.245 54.313 52.037 0.053 0.000 0.642 296 A CB -0.976 18.087 19.000 0.105 0.000 0.816 296 A HN 0.659 nan 8.150 nan 0.000 0.453 297 Q N -1.056 118.725 119.800 -0.032 0.000 2.435 297 Q HA 0.042 4.382 4.340 -0.000 0.000 0.207 297 Q C 1.628 177.566 176.000 -0.102 0.000 0.956 297 Q CA 0.925 56.698 55.803 -0.051 0.000 0.917 297 Q CB 0.014 28.740 28.738 -0.020 0.000 0.997 297 Q HN 0.520 nan 8.270 nan 0.000 0.497 298 V N 1.123 120.930 119.914 -0.179 0.000 3.174 298 V HA 0.042 4.162 4.120 -0.000 0.000 0.254 298 V C 1.088 177.001 176.094 -0.301 0.000 1.120 298 V CA 0.416 62.585 62.300 -0.218 0.000 1.114 298 V CB 0.011 31.694 31.823 -0.234 0.000 0.756 298 V HN 0.295 nan 8.190 nan 0.000 0.467 299 I N -2.021 118.327 120.570 -0.369 0.000 2.677 299 I HA 0.647 4.816 4.170 -0.000 0.000 0.305 299 I C 1.152 177.057 176.117 -0.354 0.000 0.988 299 I CA -0.241 60.826 61.300 -0.387 0.000 1.260 299 I CB 1.591 39.355 38.000 -0.393 0.000 1.410 299 I HN -0.055 nan 8.210 nan 0.000 0.523 300 A N 3.240 125.731 122.820 -0.548 0.000 2.195 300 A HA 0.165 4.484 4.320 -0.000 0.000 0.210 300 A C 0.706 178.091 177.584 -0.331 0.000 1.165 300 A CA 0.024 51.698 52.037 -0.606 0.000 0.806 300 A CB -0.953 17.243 19.000 -1.340 0.000 0.847 300 A HN 0.873 nan 8.150 nan 0.000 0.482 301 N N 1.288 119.872 118.700 -0.194 0.000 2.416 301 N HA 0.316 5.056 4.740 -0.000 0.000 0.246 301 N C -2.848 172.649 175.510 -0.021 0.000 1.260 301 N CA -0.888 52.157 53.050 -0.007 0.000 0.897 301 N CB -0.286 38.230 38.487 0.049 0.000 1.110 301 N HN 0.075 nan 8.380 nan 0.000 0.439 302 P HA -0.014 nan 4.420 nan 0.000 0.264 302 P C -0.670 176.631 177.300 0.003 0.000 1.183 302 P CA -0.056 63.036 63.100 -0.014 0.000 0.763 302 P CB 0.485 32.166 31.700 -0.033 0.000 0.807 303 V N 0.632 120.546 119.914 -0.000 0.000 3.074 303 V HA 0.990 5.110 4.120 -0.000 0.000 0.314 303 V C 0.001 176.109 176.094 0.023 0.000 1.117 303 V CA -0.889 61.428 62.300 0.030 0.000 1.014 303 V CB 1.990 33.829 31.823 0.027 0.000 1.057 303 V HN 0.619 nan 8.190 nan 0.000 0.438 304 G N 0.036 108.884 108.800 0.081 0.000 2.533 304 G HA2 0.717 4.677 3.960 -0.000 0.000 0.304 304 G HA3 0.717 4.677 3.960 -0.000 0.000 0.304 304 G C -1.566 173.372 174.900 0.063 0.000 1.263 304 G CA -0.934 44.201 45.100 0.058 0.000 0.964 304 G HN 1.142 nan 8.290 nan 0.000 0.479 305 V N 1.395 121.287 119.914 -0.036 0.000 2.733 305 V HA 0.404 4.524 4.120 -0.000 0.000 0.306 305 V C -0.747 175.274 176.094 -0.121 0.000 1.084 305 V CA -1.245 60.989 62.300 -0.111 0.000 0.905 305 V CB 2.018 33.644 31.823 -0.327 0.000 1.010 305 V HN 0.625 nan 8.190 nan 0.000 0.424 306 K N 4.595 124.941 120.400 -0.090 0.000 2.218 306 K HA 0.654 4.974 4.320 -0.000 0.000 0.276 306 K C -0.945 175.601 176.600 -0.091 0.000 1.022 306 K CA -0.219 56.011 56.287 -0.095 0.000 0.946 306 K CB 1.562 34.007 32.500 -0.092 0.000 1.000 306 K HN 0.519 nan 8.250 nan 0.000 0.468 307 L N 1.708 122.906 121.223 -0.042 0.000 2.404 307 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 307 L C 0.575 177.462 176.870 0.027 0.000 0.980 307 L CA -0.805 54.038 54.840 0.006 0.000 0.836 307 L CB 2.020 44.116 42.059 0.062 0.000 1.238 307 L HN 0.695 nan 8.230 nan 0.000 0.408 308 G N 2.045 110.861 108.800 0.028 0.000 2.795 308 G HA2 0.546 4.506 3.960 -0.000 0.000 0.267 308 G HA3 0.546 4.506 3.960 -0.000 0.000 0.267 308 G C -2.107 172.813 174.900 0.035 0.000 1.362 308 G CA -0.931 44.186 45.100 0.029 0.000 1.048 308 G HN 0.376 nan 8.290 nan 0.000 0.547 309 P HA -0.073 nan 4.420 nan 0.000 0.225 309 P C 1.095 178.403 177.300 0.013 0.000 1.156 309 P CA 0.745 63.851 63.100 0.009 0.000 0.787 309 P CB 0.087 31.782 31.700 -0.008 0.000 0.802 310 N N -0.287 118.428 118.700 0.025 0.000 2.521 310 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 310 N C 0.597 176.132 175.510 0.042 0.000 1.146 310 N CA -0.001 53.067 53.050 0.029 0.000 0.893 310 N CB -0.714 37.792 38.487 0.032 0.000 0.975 310 N HN 0.056 nan 8.380 nan 0.000 0.451 311 M N 2.388 122.021 119.600 0.054 0.000 2.248 311 M HA 0.065 4.545 4.480 -0.000 0.000 0.345 311 M C -0.054 176.285 176.300 0.064 0.000 1.243 311 M CA 0.024 55.371 55.300 0.079 0.000 1.090 311 M CB 0.650 33.309 32.600 0.098 0.000 1.683 311 M HN 0.231 nan 8.290 nan 0.000 0.450 312 T N 3.092 117.687 114.554 0.068 0.000 2.929 312 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 312 T C -2.186 172.552 174.700 0.064 0.000 1.014 312 T CA -1.793 60.336 62.100 0.049 0.000 1.051 312 T CB 1.048 69.933 68.868 0.029 0.000 1.028 312 T HN 0.534 nan 8.240 nan 0.000 0.485 313 P HA -0.085 nan 4.420 nan 0.000 0.217 313 P C 1.043 178.376 177.300 0.055 0.000 1.148 313 P CA 1.037 64.174 63.100 0.062 0.000 0.828 313 P CB 0.134 31.858 31.700 0.039 0.000 0.783 314 E N -0.831 119.386 120.200 0.029 0.000 2.046 314 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 314 E C 1.841 178.430 176.600 -0.018 0.000 0.982 314 E CA 0.616 57.020 56.400 0.006 0.000 0.800 314 E CB -1.227 28.470 29.700 -0.006 0.000 0.756 314 E HN 0.108 nan 8.360 nan 0.000 0.449 315 L N 0.443 121.654 121.223 -0.019 0.000 2.141 315 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 315 L C 1.978 178.835 176.870 -0.022 0.000 1.094 315 L CA 1.756 56.544 54.840 -0.087 0.000 0.763 315 L CB -0.682 41.348 42.059 -0.048 0.000 0.908 315 L HN 0.111 nan 8.230 nan 0.000 0.437 316 A N -0.973 121.920 122.820 0.123 0.000 1.858 316 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 316 A C 2.262 179.920 177.584 0.124 0.000 1.190 316 A CA 2.065 54.231 52.037 0.215 0.000 0.617 316 A CB -1.195 17.932 19.000 0.211 0.000 0.827 316 A HN 0.268 nan 8.150 nan 0.000 0.443 317 V N 0.153 120.105 119.914 0.063 0.000 2.282 317 V HA -0.319 3.800 4.120 -0.000 0.000 0.249 317 V C 2.627 178.693 176.094 -0.046 0.000 1.057 317 V CA 2.648 64.954 62.300 0.010 0.000 1.032 317 V CB -0.820 31.012 31.823 0.015 0.000 0.645 317 V HN 0.743 nan 8.190 nan 0.000 0.447 318 E N -0.661 119.487 120.200 -0.086 0.000 2.118 318 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 318 E C 1.968 178.471 176.600 -0.161 0.000 0.992 318 E CA 1.658 57.966 56.400 -0.154 0.000 0.804 318 E CB -0.341 29.222 29.700 -0.228 0.000 0.741 318 E HN 0.708 nan 8.360 nan 0.000 0.458 319 Y N -0.784 119.489 120.300 -0.045 0.000 2.242 319 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 319 Y C 2.282 178.122 175.900 -0.099 0.000 1.137 319 Y CA 1.011 59.079 58.100 -0.053 0.000 1.181 319 Y CB -0.471 37.968 38.460 -0.036 0.000 0.989 319 Y HN -0.037 nan 8.280 nan 0.000 0.527 320 V N 0.032 119.954 119.914 0.012 0.000 2.358 320 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 320 V C 1.792 177.723 176.094 -0.272 0.000 1.047 320 V CA 2.061 64.265 62.300 -0.160 0.000 1.035 320 V CB -0.511 31.168 31.823 -0.240 0.000 0.658 320 V HN 0.412 nan 8.190 nan 0.000 0.452 321 E N -0.420 119.647 120.200 -0.221 0.000 2.358 321 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 321 E C 2.373 178.906 176.600 -0.111 0.000 1.010 321 E CA 0.401 56.685 56.400 -0.194 0.000 0.856 321 E CB -0.049 29.583 29.700 -0.113 0.000 0.795 321 E HN 0.520 nan 8.360 nan 0.000 0.504 322 R N 0.205 120.660 120.500 -0.076 0.000 2.080 322 R HA 0.085 4.425 4.340 -0.000 0.000 0.222 322 R C 2.084 178.367 176.300 -0.029 0.000 1.107 322 R CA 0.681 56.756 56.100 -0.041 0.000 0.980 322 R CB 0.053 30.348 30.300 -0.009 0.000 0.879 322 R HN 0.184 nan 8.270 nan 0.000 0.439 323 L N -0.112 121.103 121.223 -0.014 0.000 2.554 323 L HA 0.081 4.421 4.340 -0.000 0.000 0.225 323 L C 0.379 177.233 176.870 -0.027 0.000 1.104 323 L CA 0.358 55.193 54.840 -0.009 0.000 0.866 323 L CB 0.235 42.305 42.059 0.017 0.000 1.047 323 L HN -0.004 nan 8.230 nan 0.000 0.468 324 D N -0.221 120.148 120.400 -0.053 0.000 2.861 324 D HA 0.121 4.761 4.640 -0.000 0.000 0.357 324 D C -1.588 174.729 176.300 0.029 0.000 1.250 324 D CA -1.668 52.331 54.000 -0.000 0.000 0.802 324 D CB 0.659 41.469 40.800 0.016 0.000 1.141 324 D HN -0.070 nan 8.370 nan 0.000 0.489 325 P HA -0.107 nan 4.420 nan 0.000 0.221 325 P C 0.566 177.762 177.300 -0.173 0.000 1.150 325 P CA 0.937 63.949 63.100 -0.147 0.000 0.800 325 P CB 0.084 31.599 31.700 -0.308 0.000 0.787 326 H N -1.126 117.986 119.070 0.070 0.000 2.533 326 H HA 0.129 4.685 4.556 -0.000 0.000 0.271 326 H C 0.369 175.710 175.328 0.022 0.000 1.000 326 H CA -0.121 55.948 56.048 0.035 0.000 1.149 326 H CB -0.630 29.136 29.762 0.007 0.000 1.375 326 H HN -0.023 nan 8.280 nan 0.000 0.582 327 N N 1.968 120.750 118.700 0.137 0.000 2.671 327 N HA -0.193 4.546 4.740 -0.000 0.000 0.261 327 N C -1.322 174.213 175.510 0.041 0.000 1.053 327 N CA 0.393 53.445 53.050 0.003 0.000 0.732 327 N CB -0.638 37.690 38.487 -0.266 0.000 0.887 327 N HN 0.369 nan 8.380 nan 0.000 0.546 328 K N 1.459 121.910 120.400 0.084 0.000 2.367 328 K HA 0.410 4.730 4.320 -0.000 0.000 0.263 328 K C -2.490 174.126 176.600 0.027 0.000 1.000 328 K CA -1.502 54.812 56.287 0.046 0.000 0.891 328 K CB 1.708 34.239 32.500 0.051 0.000 1.117 328 K HN 0.142 nan 8.250 nan 0.000 0.443 329 P HA 0.028 nan 4.420 nan 0.000 0.271 329 P C 0.822 178.111 177.300 -0.020 0.000 1.216 329 P CA 0.691 63.789 63.100 -0.004 0.000 0.776 329 P CB 0.698 32.391 31.700 -0.011 0.000 0.881 330 G N 2.942 111.720 108.800 -0.038 0.000 2.199 330 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 330 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 330 G C 1.326 176.196 174.900 -0.051 0.000 0.982 330 G CA 0.576 45.644 45.100 -0.054 0.000 0.632 330 G HN 0.603 nan 8.290 nan 0.000 0.529 331 R N -0.041 120.441 120.500 -0.031 0.000 2.081 331 R HA 0.220 4.560 4.340 -0.000 0.000 0.235 331 R C 1.055 177.330 176.300 -0.042 0.000 1.131 331 R CA 1.849 57.934 56.100 -0.025 0.000 0.960 331 R CB -0.267 30.034 30.300 0.001 0.000 0.856 331 R HN 0.792 nan 8.270 nan 0.000 0.436 332 L N 1.068 122.253 121.223 -0.063 0.000 2.325 332 L HA 0.469 4.809 4.340 -0.000 0.000 0.281 332 L C -1.346 175.438 176.870 -0.144 0.000 1.004 332 L CA -0.195 54.590 54.840 -0.091 0.000 0.823 332 L CB 2.120 44.119 42.059 -0.099 0.000 1.236 332 L HN 0.114 nan 8.230 nan 0.000 0.415 333 T N 5.885 120.358 114.554 -0.135 0.000 2.824 333 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 333 T C -0.226 174.360 174.700 -0.189 0.000 0.995 333 T CA -0.414 61.577 62.100 -0.182 0.000 1.009 333 T CB 1.082 69.869 68.868 -0.135 0.000 0.955 333 T HN 0.402 nan 8.240 nan 0.000 0.452 334 L N 3.290 124.349 121.223 -0.274 0.000 2.264 334 L HA 0.501 4.840 4.340 -0.000 0.000 0.289 334 L C -0.543 176.308 176.870 -0.032 0.000 1.044 334 L CA -0.932 53.791 54.840 -0.195 0.000 0.807 334 L CB 1.296 43.154 42.059 -0.335 0.000 1.192 334 L HN 0.361 nan 8.230 nan 0.000 0.425 335 V N 2.638 122.538 119.914 -0.023 0.000 2.311 335 V HA 0.179 4.299 4.120 -0.000 0.000 0.275 335 V C 0.389 176.498 176.094 0.025 0.000 1.022 335 V CA -0.311 61.978 62.300 -0.018 0.000 0.830 335 V CB 1.396 33.155 31.823 -0.106 0.000 1.012 335 V HN 0.801 nan 8.190 nan 0.000 0.452 336 S N 5.773 121.538 115.700 0.108 0.000 2.513 336 S HA 0.702 5.172 4.470 -0.000 0.000 0.276 336 S C -0.085 174.541 174.600 0.044 0.000 1.254 336 S CA -0.748 57.532 58.200 0.134 0.000 1.053 336 S CB 0.263 63.633 63.200 0.283 0.000 0.958 336 S HN 0.837 nan 8.310 nan 0.000 0.491 337 R N 4.259 124.781 120.500 0.037 0.000 2.985 337 R HA 0.378 4.718 4.340 -0.000 0.000 0.259 337 R C -0.175 176.151 176.300 0.044 0.000 1.815 337 R CA -0.318 55.796 56.100 0.024 0.000 1.278 337 R CB -0.004 30.297 30.300 0.001 0.000 1.403 337 R HN 0.483 nan 8.270 nan 0.000 0.534 338 M N 0.554 120.185 119.600 0.051 0.000 2.379 338 M HA 0.360 4.840 4.480 -0.000 0.000 0.265 338 M C 0.477 176.798 176.300 0.036 0.000 1.095 338 M CA 0.722 56.042 55.300 0.034 0.000 1.075 338 M CB 0.447 33.059 32.600 0.021 0.000 1.443 338 M HN 0.862 nan 8.290 nan 0.000 0.519 339 G N 2.988 111.843 108.800 0.092 0.000 2.721 339 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 339 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 339 G C 0.263 175.279 174.900 0.193 0.000 1.236 339 G CA -0.087 45.127 45.100 0.190 0.000 0.786 339 G HN 0.460 nan 8.290 nan 0.000 0.616 340 N N 0.756 119.607 118.700 0.251 0.000 2.459 340 N HA -0.142 4.598 4.740 -0.000 0.000 0.181 340 N C 1.502 177.136 175.510 0.206 0.000 1.046 340 N CA 2.039 55.192 53.050 0.171 0.000 0.904 340 N CB -0.356 38.195 38.487 0.107 0.000 0.964 340 N HN 0.982 nan 8.380 nan 0.000 0.444 341 H N -0.439 118.643 119.070 0.019 0.000 2.548 341 H HA 0.306 4.862 4.556 -0.000 0.000 0.265 341 H C 0.553 175.888 175.328 0.012 0.000 0.969 341 H CA 0.125 56.180 56.048 0.012 0.000 1.155 341 H CB 0.023 29.790 29.762 0.008 0.000 1.394 341 H HN 0.264 nan 8.280 nan 0.000 0.570 342 K N 0.160 120.452 120.400 -0.181 0.000 2.450 342 K HA 0.135 4.455 4.320 -0.000 0.000 0.206 342 K C 1.655 178.211 176.600 -0.073 0.000 1.148 342 K CA 0.478 56.653 56.287 -0.187 0.000 1.014 342 K CB 1.153 33.470 32.500 -0.306 0.000 0.966 342 K HN 0.040 nan 8.250 nan 0.000 0.566 343 V N 2.274 122.178 119.914 -0.017 0.000 2.427 343 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 343 V C 1.940 178.019 176.094 -0.025 0.000 1.051 343 V CA 1.568 63.871 62.300 0.006 0.000 1.048 343 V CB -0.211 31.655 31.823 0.071 0.000 0.666 343 V HN 0.248 nan 8.190 nan 0.000 0.456 344 R N 0.322 120.812 120.500 -0.018 0.000 2.091 344 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 344 R C 1.891 178.155 176.300 -0.060 0.000 1.136 344 R CA 1.899 57.977 56.100 -0.038 0.000 0.959 344 R CB -0.680 29.611 30.300 -0.015 0.000 0.856 344 R HN 0.630 nan 8.270 nan 0.000 0.437 345 D N 0.332 120.700 120.400 -0.052 0.000 2.240 345 D HA 0.001 4.641 4.640 -0.000 0.000 0.206 345 D C 2.034 178.298 176.300 -0.061 0.000 0.963 345 D CA 0.685 54.652 54.000 -0.056 0.000 0.863 345 D CB 0.138 40.910 40.800 -0.046 0.000 0.973 345 D HN 0.203 nan 8.370 nan 0.000 0.501 346 L N 0.114 121.301 121.223 -0.059 0.000 2.354 346 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 346 L C 2.189 179.025 176.870 -0.056 0.000 1.091 346 L CA 0.043 54.854 54.840 -0.048 0.000 0.828 346 L CB 0.047 42.084 42.059 -0.037 0.000 0.973 346 L HN -0.036 nan 8.230 nan 0.000 0.461 347 L N 0.991 122.164 121.223 -0.083 0.000 2.072 347 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 347 L C -0.509 176.237 176.870 -0.206 0.000 1.079 347 L CA 1.854 56.615 54.840 -0.132 0.000 0.752 347 L CB -1.254 40.705 42.059 -0.166 0.000 0.906 347 L HN 0.034 nan 8.230 nan 0.000 0.436 348 P HA -0.128 nan 4.420 nan 0.000 0.216 348 P C -1.478 175.723 177.300 -0.165 0.000 1.153 348 P CA 1.857 64.820 63.100 -0.229 0.000 0.858 348 P CB -1.198 30.398 31.700 -0.174 0.000 0.789 349 P HA -0.016 nan 4.420 nan 0.000 0.229 349 P C 1.542 178.818 177.300 -0.039 0.000 1.160 349 P CA 1.005 64.067 63.100 -0.063 0.000 0.777 349 P CB -0.367 31.310 31.700 -0.038 0.000 0.814 350 I N -1.051 119.493 120.570 -0.042 0.000 2.353 350 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 350 I C 2.322 178.458 176.117 0.032 0.000 1.119 350 I CA 0.985 62.307 61.300 0.037 0.000 1.417 350 I CB -0.267 37.782 38.000 0.082 0.000 1.078 350 I HN -0.186 nan 8.210 nan 0.000 0.421 351 V N 0.548 120.343 119.914 -0.198 0.000 2.346 351 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 351 V C 2.249 178.270 176.094 -0.121 0.000 1.037 351 V CA 1.604 63.656 62.300 -0.414 0.000 1.029 351 V CB -0.473 30.868 31.823 -0.804 0.000 0.663 351 V HN 0.379 nan 8.190 nan 0.000 0.454 352 E N -0.067 120.069 120.200 -0.106 0.000 2.048 352 E HA -0.281 4.069 4.350 -0.000 0.000 0.202 352 E C 2.359 178.978 176.600 0.032 0.000 1.021 352 E CA 1.468 57.848 56.400 -0.032 0.000 0.825 352 E CB -0.205 29.471 29.700 -0.040 0.000 0.756 352 E HN 0.368 nan 8.360 nan 0.000 0.454 353 K N 0.563 120.989 120.400 0.044 0.000 2.057 353 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 353 K C 2.272 178.943 176.600 0.119 0.000 1.049 353 K CA 0.860 57.189 56.287 0.070 0.000 0.931 353 K CB -0.388 32.148 32.500 0.061 0.000 0.714 353 K HN 0.053 nan 8.250 nan 0.000 0.440 354 V N 1.916 121.947 119.914 0.195 0.000 2.332 354 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 354 V C 2.475 178.721 176.094 0.254 0.000 1.055 354 V CA 1.641 64.101 62.300 0.266 0.000 1.038 354 V CB -0.418 31.698 31.823 0.487 0.000 0.651 354 V HN 0.326 nan 8.190 nan 0.000 0.450 355 Q N -0.214 119.733 119.800 0.245 0.000 2.170 355 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 355 Q C 2.399 178.478 176.000 0.132 0.000 0.976 355 Q CA 1.710 57.631 55.803 0.198 0.000 0.858 355 Q CB -0.626 28.200 28.738 0.146 0.000 0.907 355 Q HN 0.672 nan 8.270 nan 0.000 0.433 356 A N 0.933 123.817 122.820 0.106 0.000 2.067 356 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 356 A C 2.242 179.879 177.584 0.089 0.000 1.158 356 A CA 1.829 53.912 52.037 0.078 0.000 0.661 356 A CB -0.679 18.357 19.000 0.059 0.000 0.801 356 A HN 0.524 nan 8.150 nan 0.000 0.452 357 T N -4.172 110.457 114.554 0.124 0.000 2.995 357 T HA 0.284 4.634 4.350 -0.000 0.000 0.269 357 T C 1.642 176.433 174.700 0.152 0.000 1.091 357 T CA 1.328 63.523 62.100 0.159 0.000 1.128 357 T CB -0.317 68.689 68.868 0.230 0.000 0.891 357 T HN 1.657 nan 8.240 nan 0.000 0.492 358 G N 0.826 109.695 108.800 0.115 0.000 2.199 358 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 358 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 358 G C 0.102 175.004 174.900 0.003 0.000 0.982 358 G CA 0.204 45.327 45.100 0.037 0.000 0.632 358 G HN 0.750 nan 8.290 nan 0.000 0.529 359 H N 0.494 119.581 119.070 0.028 0.000 2.607 359 H HA 0.425 4.980 4.556 -0.000 0.000 0.367 359 H C 0.190 175.527 175.328 0.015 0.000 1.181 359 H CA 0.293 56.348 56.048 0.012 0.000 1.402 359 H CB 0.626 30.386 29.762 -0.003 0.000 1.474 359 H HN 0.340 nan 8.280 nan 0.000 0.596 360 Q N 1.999 121.868 119.800 0.116 0.000 2.456 360 Q HA 0.275 4.615 4.340 -0.000 0.000 0.252 360 Q C -0.344 175.640 176.000 -0.027 0.000 1.042 360 Q CA -0.616 55.216 55.803 0.049 0.000 0.766 360 Q CB 1.756 30.510 28.738 0.027 0.000 1.196 360 Q HN 0.404 nan 8.270 nan 0.000 0.504 361 V N -0.049 119.783 119.914 -0.137 0.000 2.863 361 V HA 0.546 4.666 4.120 -0.000 0.000 0.307 361 V C 0.107 175.980 176.094 -0.368 0.000 1.061 361 V CA -0.816 61.287 62.300 -0.327 0.000 1.024 361 V CB 1.028 32.475 31.823 -0.627 0.000 1.049 361 V HN 0.562 nan 8.190 nan 0.000 0.471 362 I N 2.371 122.747 120.570 -0.324 0.000 2.371 362 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 362 I C -0.632 175.264 176.117 -0.369 0.000 1.028 362 I CA 0.113 61.279 61.300 -0.225 0.000 1.345 362 I CB 0.807 38.723 38.000 -0.139 0.000 1.407 362 I HN 0.695 nan 8.210 nan 0.000 0.501 363 W N 6.566 127.863 121.300 -0.004 0.000 2.332 363 W HA 0.428 5.088 4.660 -0.000 0.000 0.306 363 W C 0.214 176.818 176.519 0.141 0.000 1.149 363 W CA -0.287 57.102 57.345 0.074 0.000 1.271 363 W CB 0.567 30.045 29.460 0.030 0.000 1.243 363 W HN 0.416 nan 8.180 nan 0.000 0.459 364 Q N 3.199 123.164 119.800 0.274 0.000 2.377 364 Q HA 0.517 4.857 4.340 -0.000 0.000 0.271 364 Q C -1.100 174.790 176.000 -0.184 0.000 1.077 364 Q CA -0.794 55.004 55.803 -0.008 0.000 0.820 364 Q CB 2.432 31.096 28.738 -0.123 0.000 1.347 364 Q HN 0.633 nan 8.270 nan 0.000 0.444 365 C N 3.222 122.138 119.300 -0.639 0.000 2.273 365 C HA 0.439 4.899 4.460 -0.000 0.000 0.328 365 C C -0.720 174.071 174.990 -0.331 0.000 1.275 365 C CA -0.382 58.177 59.018 -0.766 0.000 1.704 365 C CB 0.446 27.330 27.740 -1.426 0.000 2.326 365 C HN 0.830 nan 8.230 nan 0.000 0.517 366 D N 7.246 127.526 120.400 -0.200 0.000 2.454 366 D HA 0.376 5.015 4.640 -0.000 0.000 0.225 366 D C -1.851 174.397 176.300 -0.087 0.000 1.081 366 D CA -2.049 51.861 54.000 -0.149 0.000 0.864 366 D CB 1.523 42.203 40.800 -0.200 0.000 1.040 366 D HN 0.471 nan 8.370 nan 0.000 0.517 367 P HA 0.113 nan 4.420 nan 0.000 0.263 367 P C 0.905 178.184 177.300 -0.035 0.000 1.448 367 P CA -0.100 62.974 63.100 -0.043 0.000 0.983 367 P CB 0.438 32.107 31.700 -0.051 0.000 1.481 368 M N -0.992 118.575 119.600 -0.055 0.000 2.412 368 M HA 0.055 4.535 4.480 -0.000 0.000 0.263 368 M C 1.591 177.807 176.300 -0.140 0.000 1.122 368 M CA 1.564 56.785 55.300 -0.132 0.000 1.179 368 M CB -1.391 31.058 32.600 -0.252 0.000 1.335 368 M HN 0.115 nan 8.290 nan 0.000 0.465 369 H N -0.360 118.684 119.070 -0.044 0.000 2.551 369 H HA 0.173 4.729 4.556 -0.000 0.000 0.266 369 H C 1.917 177.253 175.328 0.014 0.000 0.964 369 H CA 0.969 57.005 56.048 -0.020 0.000 1.180 369 H CB -0.060 29.670 29.762 -0.053 0.000 1.408 369 H HN 0.451 nan 8.280 nan 0.000 0.563 370 G N -0.603 108.265 108.800 0.114 0.000 3.088 370 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.217 370 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.217 370 G C 0.546 175.517 174.900 0.118 0.000 1.159 370 G CA -0.175 44.993 45.100 0.114 0.000 0.760 370 G HN 0.247 nan 8.290 nan 0.000 0.550 371 N N 1.277 120.026 118.700 0.082 0.000 2.541 371 N HA 0.090 4.830 4.740 -0.000 0.000 0.297 371 N C -0.172 175.395 175.510 0.096 0.000 1.503 371 N CA -0.022 53.078 53.050 0.083 0.000 0.919 371 N CB 1.235 39.762 38.487 0.067 0.000 1.305 371 N HN 0.253 nan 8.380 nan 0.000 0.501 372 T N -1.052 113.560 114.554 0.097 0.000 2.824 372 T HA 0.350 4.700 4.350 -0.000 0.000 0.280 372 T C -0.241 174.555 174.700 0.159 0.000 0.995 372 T CA -0.482 61.679 62.100 0.101 0.000 1.009 372 T CB 1.769 70.670 68.868 0.056 0.000 0.955 372 T HN 0.323 nan 8.240 nan 0.000 0.452 373 H N 1.535 120.638 119.070 0.055 0.000 2.907 373 H HA 0.555 5.111 4.556 -0.000 0.000 0.361 373 H C -1.353 174.009 175.328 0.057 0.000 1.194 373 H CA -0.887 55.191 56.048 0.049 0.000 1.152 373 H CB 1.796 31.583 29.762 0.042 0.000 1.867 373 H HN 0.742 nan 8.280 nan 0.000 0.561 374 E N 1.667 121.832 120.200 -0.060 0.000 2.174 374 E HA 0.240 4.590 4.350 -0.000 0.000 0.282 374 E C -0.198 176.333 176.600 -0.116 0.000 0.992 374 E CA -0.591 55.728 56.400 -0.134 0.000 0.803 374 E CB 1.124 30.807 29.700 -0.027 0.000 1.090 374 E HN 0.697 nan 8.360 nan 0.000 0.396 375 S N 2.230 117.808 115.700 -0.203 0.000 2.589 375 S HA -0.008 4.462 4.470 -0.000 0.000 0.265 375 S C 1.168 175.783 174.600 0.025 0.000 1.342 375 S CA -0.021 58.173 58.200 -0.010 0.000 1.005 375 S CB 1.292 64.500 63.200 0.014 0.000 0.909 375 S HN 0.553 nan 8.310 nan 0.000 0.555 376 S N -0.218 115.520 115.700 0.064 0.000 2.522 376 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 376 S C 1.540 176.134 174.600 -0.010 0.000 0.986 376 S CA 0.670 58.888 58.200 0.029 0.000 0.929 376 S CB -1.134 62.094 63.200 0.046 0.000 0.769 376 S HN 0.951 nan 8.310 nan 0.000 0.529 377 T N -2.638 111.908 114.554 -0.013 0.000 3.044 377 T HA 0.557 4.907 4.350 -0.000 0.000 0.255 377 T C 1.595 176.158 174.700 -0.228 0.000 1.073 377 T CA 0.695 62.767 62.100 -0.047 0.000 1.125 377 T CB 0.125 69.034 68.868 0.069 0.000 0.908 377 T HN 0.739 nan 8.240 nan 0.000 0.480 378 G N 0.407 109.018 108.800 -0.316 0.000 3.033 378 G HA2 0.057 4.017 3.960 -0.000 0.000 0.208 378 G HA3 0.057 4.017 3.960 -0.000 0.000 0.208 378 G C -0.249 174.268 174.900 -0.639 0.000 1.006 378 G CA -0.803 43.962 45.100 -0.559 0.000 0.808 378 G HN 0.415 nan 8.290 nan 0.000 0.499 379 F N 2.548 122.354 119.950 -0.240 0.000 2.422 379 F HA 0.613 5.140 4.527 -0.000 0.000 0.333 379 F C 0.703 176.345 175.800 -0.264 0.000 1.095 379 F CA -0.962 56.800 58.000 -0.398 0.000 1.038 379 F CB 1.423 39.977 39.000 -0.742 0.000 1.156 379 F HN 0.087 nan 8.300 nan 0.000 0.483 380 K N 0.353 120.748 120.400 -0.010 0.000 2.205 380 K HA 0.676 4.996 4.320 -0.000 0.000 0.279 380 K C -0.402 176.232 176.600 0.056 0.000 1.027 380 K CA -0.517 55.766 56.287 -0.006 0.000 0.932 380 K CB 1.658 34.181 32.500 0.037 0.000 1.032 380 K HN 0.664 nan 8.250 nan 0.000 0.466 381 T N 1.369 115.870 114.554 -0.089 0.000 2.754 381 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 381 T C -1.546 173.152 174.700 -0.003 0.000 1.205 381 T CA -1.041 61.042 62.100 -0.029 0.000 1.009 381 T CB 1.261 70.096 68.868 -0.055 0.000 1.368 381 T HN 0.710 nan 8.240 nan 0.000 0.509 382 R N 1.192 121.748 120.500 0.093 0.000 2.621 382 R HA 0.392 4.732 4.340 -0.000 0.000 0.284 382 R C -1.114 175.304 176.300 0.197 0.000 0.998 382 R CA -0.930 55.268 56.100 0.163 0.000 0.895 382 R CB 1.328 31.675 30.300 0.078 0.000 1.195 382 R HN 0.580 nan 8.270 nan 0.000 0.450 383 H N 3.093 122.278 119.070 0.192 0.000 2.580 383 H HA 0.051 4.607 4.556 -0.000 0.000 0.322 383 H C 0.386 175.812 175.328 0.163 0.000 1.082 383 H CA 0.085 56.238 56.048 0.175 0.000 1.383 383 H CB 0.840 30.676 29.762 0.122 0.000 1.450 383 H HN 0.604 nan 8.280 nan 0.000 0.505 384 F N 3.888 123.832 119.950 -0.011 0.000 2.161 384 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 384 F C 1.564 177.483 175.800 0.199 0.000 1.089 384 F CA 1.647 59.692 58.000 0.075 0.000 1.282 384 F CB 0.202 39.201 39.000 -0.002 0.000 1.010 384 F HN 0.567 nan 8.300 nan 0.000 0.485 385 D N -0.178 120.508 120.400 0.476 0.000 2.218 385 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 385 D C 2.337 178.669 176.300 0.053 0.000 0.976 385 D CA 0.987 55.109 54.000 0.203 0.000 0.853 385 D CB -0.268 40.643 40.800 0.185 0.000 0.939 385 D HN 0.379 nan 8.370 nan 0.000 0.481 386 R N -0.113 120.438 120.500 0.086 0.000 2.093 386 R HA 0.118 4.458 4.340 -0.000 0.000 0.224 386 R C 2.427 178.727 176.300 0.000 0.000 1.101 386 R CA 0.327 56.449 56.100 0.036 0.000 0.979 386 R CB -0.028 30.304 30.300 0.053 0.000 0.877 386 R HN 0.216 nan 8.270 nan 0.000 0.441 387 I N 0.305 120.847 120.570 -0.046 0.000 2.179 387 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 387 I C 2.270 178.309 176.117 -0.130 0.000 1.088 387 I CA 1.164 62.407 61.300 -0.095 0.000 1.357 387 I CB -0.269 37.644 38.000 -0.145 0.000 1.051 387 I HN -0.055 nan 8.210 nan 0.000 0.409 388 V N 0.936 120.701 119.914 -0.248 0.000 2.282 388 V HA -0.376 3.744 4.120 -0.000 0.000 0.249 388 V C 2.210 178.275 176.094 -0.048 0.000 1.057 388 V CA 2.511 64.693 62.300 -0.196 0.000 1.032 388 V CB -0.673 30.992 31.823 -0.264 0.000 0.645 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 D N -0.488 119.898 120.400 -0.023 0.000 2.178 389 D HA -0.214 4.426 4.640 -0.000 0.000 0.201 389 D C 2.180 178.519 176.300 0.066 0.000 0.980 389 D CA 1.453 55.470 54.000 0.028 0.000 0.842 389 D CB -0.063 40.755 40.800 0.030 0.000 0.948 389 D HN 0.603 nan 8.370 nan 0.000 0.472 390 E N -0.677 119.558 120.200 0.058 0.000 2.106 390 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 390 E C 1.922 178.609 176.600 0.146 0.000 0.984 390 E CA 0.965 57.420 56.400 0.092 0.000 0.806 390 E CB 0.121 29.861 29.700 0.067 0.000 0.750 390 E HN 0.145 nan 8.360 nan 0.000 0.458 391 V N 0.925 120.915 119.914 0.126 0.000 2.548 391 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 391 V C 2.438 178.777 176.094 0.409 0.000 1.055 391 V CA 1.782 64.226 62.300 0.240 0.000 1.065 391 V CB -0.541 31.383 31.823 0.168 0.000 0.681 391 V HN 0.301 nan 8.190 nan 0.000 0.462 392 Q N 1.393 121.327 119.800 0.223 0.000 2.084 392 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 392 Q C 2.157 178.305 176.000 0.248 0.000 0.978 392 Q CA 2.374 58.289 55.803 0.187 0.000 0.844 392 Q CB -0.903 27.885 28.738 0.084 0.000 0.898 392 Q HN 0.518 nan 8.270 nan 0.000 0.426 393 G N -0.665 108.257 108.800 0.202 0.000 2.403 393 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 393 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 393 G C 1.299 176.291 174.900 0.155 0.000 1.154 393 G CA 0.476 45.663 45.100 0.145 0.000 0.784 393 G HN 0.462 nan 8.290 nan 0.000 0.538 394 F N 0.990 120.982 119.950 0.071 0.000 2.091 394 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 394 F C 2.236 178.039 175.800 0.004 0.000 1.103 394 F CA 1.512 59.515 58.000 0.005 0.000 1.228 394 F CB -0.230 38.815 39.000 0.074 0.000 0.984 394 F HN 0.119 nan 8.300 nan 0.000 0.477 395 F N 1.165 121.242 119.950 0.211 0.000 2.171 395 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 395 F C 2.353 178.140 175.800 -0.021 0.000 1.090 395 F CA 1.965 60.022 58.000 0.096 0.000 1.293 395 F CB -0.796 38.294 39.000 0.151 0.000 1.013 395 F HN 0.070 nan 8.300 nan 0.000 0.486 396 E N -0.358 119.931 120.200 0.147 0.000 2.150 396 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 396 E C 2.313 178.861 176.600 -0.088 0.000 0.985 396 E CA 1.284 57.708 56.400 0.040 0.000 0.814 396 E CB -0.413 29.308 29.700 0.036 0.000 0.752 396 E HN 0.186 nan 8.360 nan 0.000 0.466 397 V N 1.429 121.211 119.914 -0.220 0.000 2.332 397 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 397 V C 2.086 177.919 176.094 -0.436 0.000 1.055 397 V CA 1.855 63.924 62.300 -0.386 0.000 1.038 397 V CB -0.517 30.970 31.823 -0.560 0.000 0.651 397 V HN 0.376 nan 8.190 nan 0.000 0.450 398 H N -0.155 118.707 119.070 -0.347 0.000 2.384 398 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 398 H C 2.531 177.750 175.328 -0.182 0.000 1.057 398 H CA 1.148 56.984 56.048 -0.354 0.000 1.370 398 H CB -0.072 29.391 29.762 -0.499 0.000 1.417 398 H HN 0.365 nan 8.280 nan 0.000 0.527 399 R N 0.775 121.280 120.500 0.007 0.000 2.112 399 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 399 R C 2.464 178.761 176.300 -0.006 0.000 1.137 399 R CA 1.615 57.733 56.100 0.029 0.000 0.944 399 R CB -0.342 29.996 30.300 0.062 0.000 0.857 399 R HN 0.225 nan 8.270 nan 0.000 0.435 400 A N 0.451 123.247 122.820 -0.039 0.000 2.015 400 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 400 A C 1.991 179.541 177.584 -0.057 0.000 1.163 400 A CA 1.089 53.098 52.037 -0.047 0.000 0.646 400 A CB -0.209 18.754 19.000 -0.062 0.000 0.806 400 A HN 0.209 nan 8.150 nan 0.000 0.448 401 L N -1.929 119.247 121.223 -0.079 0.000 2.554 401 L HA 0.246 4.586 4.340 -0.000 0.000 0.225 401 L C 1.658 178.509 176.870 -0.032 0.000 1.104 401 L CA 0.520 55.318 54.840 -0.070 0.000 0.866 401 L CB -0.041 41.946 42.059 -0.121 0.000 1.047 401 L HN 0.522 nan 8.230 nan 0.000 0.468 402 G N 1.069 109.861 108.800 -0.013 0.000 2.143 402 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 402 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 402 G C 0.412 175.328 174.900 0.026 0.000 0.991 402 G CA 0.477 45.584 45.100 0.012 0.000 0.689 402 G HN 0.394 nan 8.290 nan 0.000 0.522 403 T N -2.727 111.840 114.554 0.021 0.000 2.824 403 T HA 0.533 4.883 4.350 -0.000 0.000 0.277 403 T C 0.115 174.817 174.700 0.003 0.000 0.975 403 T CA -0.063 62.058 62.100 0.036 0.000 0.966 403 T CB 1.756 70.630 68.868 0.011 0.000 1.054 403 T HN 0.570 nan 8.240 nan 0.000 0.533 404 H N 2.071 121.058 119.070 -0.138 0.000 2.594 404 H HA 0.395 4.951 4.556 -0.000 0.000 0.304 404 H C -2.474 172.537 175.328 -0.527 0.000 1.068 404 H CA -2.366 53.569 56.048 -0.188 0.000 1.308 404 H CB 0.674 30.419 29.762 -0.029 0.000 1.409 404 H HN 0.316 nan 8.280 nan 0.000 0.460 405 P HA 0.108 nan 4.420 nan 0.000 0.273 405 P C 0.757 177.670 177.300 -0.646 0.000 1.319 405 P CA 0.099 62.655 63.100 -0.907 0.000 0.885 405 P CB 0.750 31.904 31.700 -0.910 0.000 1.015 406 G N 2.372 110.937 108.800 -0.391 0.000 2.777 406 G HA2 0.401 4.361 3.960 -0.000 0.000 0.211 406 G HA3 0.401 4.361 3.960 -0.000 0.000 0.211 406 G C 0.579 175.144 174.900 -0.559 0.000 1.149 406 G CA 0.368 45.277 45.100 -0.319 0.000 0.785 406 G HN 0.794 nan 8.290 nan 0.000 0.536 407 G N -0.654 107.740 108.800 -0.676 0.000 2.320 407 G HA2 0.425 4.385 3.960 -0.000 0.000 0.297 407 G HA3 0.425 4.385 3.960 -0.000 0.000 0.297 407 G C -1.412 173.168 174.900 -0.534 0.000 1.344 407 G CA -0.402 43.975 45.100 -1.204 0.000 0.851 407 G HN 0.770 nan 8.290 nan 0.000 0.567 408 I N -2.633 117.715 120.570 -0.370 0.000 2.892 408 I HA 0.864 5.034 4.170 -0.000 0.000 0.306 408 I C -1.160 174.894 176.117 -0.106 0.000 1.078 408 I CA -1.189 60.007 61.300 -0.173 0.000 1.032 408 I CB 2.736 40.738 38.000 0.003 0.000 1.229 408 I HN 0.625 nan 8.210 nan 0.000 0.435 409 H N 4.873 123.822 119.070 -0.203 0.000 2.970 409 H HA 0.676 5.232 4.556 -0.000 0.000 0.315 409 H C -1.694 173.547 175.328 -0.144 0.000 0.992 409 H CA -0.741 55.181 56.048 -0.211 0.000 1.363 409 H CB 1.433 31.006 29.762 -0.315 0.000 1.532 409 H HN 0.698 nan 8.280 nan 0.000 0.514 410 V N 1.982 122.011 119.914 0.191 0.000 2.864 410 V HA 0.606 4.726 4.120 -0.000 0.000 0.314 410 V C -0.093 176.050 176.094 0.081 0.000 1.073 410 V CA -1.027 61.315 62.300 0.070 0.000 0.956 410 V CB 2.416 34.261 31.823 0.037 0.000 1.023 410 V HN 0.666 nan 8.190 nan 0.000 0.435 411 E N 3.611 123.824 120.200 0.021 0.000 2.055 411 E HA 0.627 4.977 4.350 -0.000 0.000 0.274 411 E C -0.606 176.001 176.600 0.011 0.000 0.949 411 E CA -0.275 56.140 56.400 0.024 0.000 0.775 411 E CB 1.694 31.383 29.700 -0.017 0.000 1.097 411 E HN 0.798 nan 8.360 nan 0.000 0.404 412 I N -0.756 119.826 120.570 0.019 0.000 3.042 412 I HA 0.736 4.906 4.170 -0.000 0.000 0.310 412 I C -0.606 175.505 176.117 -0.010 0.000 1.117 412 I CA -0.695 60.606 61.300 0.002 0.000 1.003 412 I CB 2.735 40.735 38.000 0.001 0.000 1.228 412 I HN 0.198 nan 8.210 nan 0.000 0.443 413 T N 1.504 116.040 114.554 -0.030 0.000 2.923 413 T HA 0.468 4.818 4.350 -0.000 0.000 0.311 413 T C 0.651 175.303 174.700 -0.079 0.000 1.183 413 T CA 0.018 62.092 62.100 -0.044 0.000 1.020 413 T CB 1.576 70.457 68.868 0.021 0.000 1.165 413 T HN 1.005 nan 8.240 nan 0.000 0.482 414 G N 1.852 110.571 108.800 -0.135 0.000 2.586 414 G HA2 0.065 4.025 3.960 -0.000 0.000 0.215 414 G HA3 0.065 4.025 3.960 -0.000 0.000 0.215 414 G C 0.282 175.123 174.900 -0.098 0.000 1.128 414 G CA 0.511 45.526 45.100 -0.141 0.000 0.774 414 G HN 0.682 nan 8.290 nan 0.000 0.543 415 E N 0.777 120.946 120.200 -0.051 0.000 2.242 415 E HA 0.207 4.557 4.350 -0.000 0.000 0.275 415 E C -0.251 176.323 176.600 -0.043 0.000 1.002 415 E CA -0.755 55.626 56.400 -0.032 0.000 0.841 415 E CB 0.786 30.492 29.700 0.010 0.000 1.109 415 E HN 0.254 nan 8.360 nan 0.000 0.394 416 N N 2.453 121.127 118.700 -0.043 0.000 3.124 416 N HA 0.022 4.762 4.740 -0.000 0.000 0.284 416 N C -0.002 175.476 175.510 -0.054 0.000 1.209 416 N CA -0.263 52.760 53.050 -0.046 0.000 1.149 416 N CB -0.490 37.976 38.487 -0.036 0.000 1.434 416 N HN 0.242 nan 8.380 nan 0.000 0.529 417 V N -0.551 119.323 119.914 -0.068 0.000 3.432 417 V HA 0.305 4.425 4.120 -0.000 0.000 0.304 417 V C 0.764 176.806 176.094 -0.087 0.000 1.107 417 V CA -0.147 62.096 62.300 -0.096 0.000 1.153 417 V CB 0.251 31.991 31.823 -0.139 0.000 1.072 417 V HN 0.606 nan 8.190 nan 0.000 0.485 418 T N -1.453 113.046 114.554 -0.092 0.000 3.401 418 T HA 0.540 4.890 4.350 -0.000 0.000 0.341 418 T C 0.107 174.787 174.700 -0.034 0.000 1.674 418 T CA -0.232 61.831 62.100 -0.062 0.000 1.600 418 T CB 0.378 69.214 68.868 -0.054 0.000 0.974 418 T HN 0.828 nan 8.240 nan 0.000 0.672 419 E N 0.230 120.394 120.200 -0.059 0.000 2.290 419 E HA 0.224 4.574 4.350 -0.000 0.000 0.199 419 E C 0.022 176.655 176.600 0.055 0.000 0.912 419 E CA -0.046 56.332 56.400 -0.035 0.000 0.924 419 E CB 0.652 30.184 29.700 -0.281 0.000 0.901 419 E HN 0.544 nan 8.360 nan 0.000 0.487 420 C N 2.269 121.572 119.300 0.005 0.000 2.281 420 C HA 0.392 4.851 4.460 -0.000 0.000 0.325 420 C C 0.377 175.348 174.990 -0.031 0.000 1.282 420 C CA -1.024 58.004 59.018 0.017 0.000 1.640 420 C CB -0.227 27.538 27.740 0.043 0.000 2.288 420 C HN 0.323 nan 8.230 nan 0.000 0.507 421 L N 4.131 125.318 121.223 -0.059 0.000 2.506 421 L HA 0.387 4.727 4.340 -0.000 0.000 0.281 421 L C 1.318 177.947 176.870 -0.401 0.000 1.228 421 L CA 1.386 56.120 54.840 -0.177 0.000 0.850 421 L CB -0.239 41.742 42.059 -0.130 0.000 1.110 421 L HN 1.093 nan 8.230 nan 0.000 0.496 422 G N 1.622 110.239 108.800 -0.305 0.000 2.562 422 G HA2 0.187 4.147 3.960 -0.000 0.000 0.250 422 G HA3 0.187 4.147 3.960 -0.000 0.000 0.250 422 G C 0.211 174.973 174.900 -0.231 0.000 1.269 422 G CA -0.328 44.648 45.100 -0.207 0.000 0.919 422 G HN 1.661 nan 8.290 nan 0.000 0.574 423 G N -2.619 105.975 108.800 -0.343 0.000 2.757 423 G HA2 0.388 4.347 3.960 -0.000 0.000 0.638 423 G HA3 0.388 4.347 3.960 -0.000 0.000 0.638 423 G C 1.286 176.028 174.900 -0.263 0.000 1.344 423 G CA 1.475 46.145 45.100 -0.717 0.000 0.855 423 G HN 2.472 nan 8.290 nan 0.000 0.537 424 A N -0.850 121.852 122.820 -0.197 0.000 1.948 424 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 424 A C 2.257 179.806 177.584 -0.059 0.000 1.177 424 A CA 2.559 54.565 52.037 -0.051 0.000 0.636 424 A CB -0.478 18.530 19.000 0.013 0.000 0.815 424 A HN 0.875 nan 8.150 nan 0.000 0.449 425 Q N -1.122 118.626 119.800 -0.087 0.000 2.437 425 Q HA -0.068 4.272 4.340 -0.000 0.000 0.210 425 Q C -0.091 175.880 176.000 -0.049 0.000 0.972 425 Q CA 0.400 56.164 55.803 -0.064 0.000 0.903 425 Q CB -0.106 28.590 28.738 -0.070 0.000 0.967 425 Q HN 0.607 nan 8.270 nan 0.000 0.486 426 D N 0.761 121.130 120.400 -0.051 0.000 2.894 426 D HA -0.205 4.435 4.640 -0.000 0.000 0.216 426 D C -1.077 175.213 176.300 -0.018 0.000 1.245 426 D CA 0.417 54.406 54.000 -0.018 0.000 0.728 426 D CB -0.828 39.983 40.800 0.019 0.000 0.924 426 D HN 0.282 nan 8.370 nan 0.000 0.395 427 I N 1.358 121.900 120.570 -0.047 0.000 2.581 427 I HA -0.028 4.141 4.170 -0.000 0.000 0.285 427 I C 1.435 177.548 176.117 -0.006 0.000 1.129 427 I CA -0.063 61.217 61.300 -0.034 0.000 1.397 427 I CB 0.400 38.369 38.000 -0.052 0.000 1.399 427 I HN 0.265 nan 8.210 nan 0.000 0.537 428 S N 4.828 120.539 115.700 0.018 0.000 2.686 428 S HA 0.267 4.737 4.470 -0.000 0.000 0.270 428 S C 0.935 175.570 174.600 0.058 0.000 1.194 428 S CA -0.716 57.513 58.200 0.049 0.000 0.990 428 S CB 1.276 64.504 63.200 0.047 0.000 1.029 428 S HN 0.635 nan 8.310 nan 0.000 0.560 429 E N 0.452 120.702 120.200 0.084 0.000 2.051 429 E HA -0.121 4.228 4.350 -0.000 0.000 0.192 429 E C 1.963 178.618 176.600 0.091 0.000 0.991 429 E CA 1.699 58.158 56.400 0.099 0.000 0.799 429 E CB -0.822 28.943 29.700 0.109 0.000 0.748 429 E HN 0.743 nan 8.360 nan 0.000 0.449 430 T N 1.651 116.248 114.554 0.071 0.000 2.759 430 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 430 T C 1.238 175.964 174.700 0.042 0.000 1.042 430 T CA 1.583 63.719 62.100 0.061 0.000 1.140 430 T CB -0.276 68.618 68.868 0.044 0.000 0.864 430 T HN 0.108 nan 8.240 nan 0.000 0.455 431 D N 0.887 121.302 120.400 0.024 0.000 2.269 431 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 431 D C 2.001 178.282 176.300 -0.032 0.000 0.963 431 D CA 0.393 54.392 54.000 -0.001 0.000 0.864 431 D CB -0.351 40.446 40.800 -0.005 0.000 0.936 431 D HN 0.338 nan 8.370 nan 0.000 0.505 432 L N 0.620 121.822 121.223 -0.035 0.000 2.191 432 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 432 L C 2.405 179.040 176.870 -0.391 0.000 1.103 432 L CA 0.890 55.648 54.840 -0.136 0.000 0.769 432 L CB -0.306 41.700 42.059 -0.088 0.000 0.908 432 L HN -0.008 nan 8.230 nan 0.000 0.438 433 A N 0.209 122.877 122.820 -0.254 0.000 1.930 433 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 433 A C 2.409 179.910 177.584 -0.138 0.000 1.175 433 A CA 1.437 53.338 52.037 -0.226 0.000 0.627 433 A CB -1.198 17.862 19.000 0.100 0.000 0.815 433 A HN 0.424 nan 8.150 nan 0.000 0.443 434 G N -0.127 108.626 108.800 -0.079 0.000 2.719 434 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 434 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 434 G C 1.166 176.033 174.900 -0.055 0.000 1.234 434 G CA 1.093 46.163 45.100 -0.050 0.000 0.788 434 G HN 0.531 nan 8.290 nan 0.000 0.619 435 R N -1.244 119.214 120.500 -0.070 0.000 2.718 435 R HA 0.192 4.532 4.340 -0.000 0.000 0.307 435 R C -1.328 174.919 176.300 -0.089 0.000 1.244 435 R CA -0.474 55.586 56.100 -0.068 0.000 1.348 435 R CB 0.495 30.757 30.300 -0.063 0.000 1.304 435 R HN 0.377 nan 8.270 nan 0.000 0.663 436 Y N 1.447 121.602 120.300 -0.241 0.000 2.539 436 Y HA 0.048 4.598 4.550 -0.000 0.000 0.352 436 Y C 0.820 176.627 175.900 -0.156 0.000 1.004 436 Y CA 0.763 58.708 58.100 -0.259 0.000 1.278 436 Y CB 0.532 38.682 38.460 -0.517 0.000 1.136 436 Y HN 0.265 nan 8.280 nan 0.000 0.528 437 E N 1.531 121.546 120.200 -0.310 0.000 2.571 437 E HA 0.018 4.368 4.350 -0.000 0.000 0.222 437 E C 0.431 176.850 176.600 -0.302 0.000 0.904 437 E CA -0.058 56.206 56.400 -0.226 0.000 1.157 437 E CB 0.669 30.253 29.700 -0.193 0.000 1.158 437 E HN 0.516 nan 8.360 nan 0.000 0.540 438 T N -0.007 114.298 114.554 -0.415 0.000 2.937 438 T HA 0.092 4.442 4.350 -0.000 0.000 0.316 438 T C 1.004 175.563 174.700 -0.235 0.000 1.079 438 T CA 0.515 62.430 62.100 -0.308 0.000 1.131 438 T CB 1.086 69.761 68.868 -0.323 0.000 1.000 438 T HN 0.170 nan 8.240 nan 0.000 0.549 439 A N 2.905 125.598 122.820 -0.212 0.000 2.238 439 A HA 0.333 4.653 4.320 -0.000 0.000 0.210 439 A C 1.676 179.394 177.584 0.222 0.000 1.179 439 A CA 0.426 52.343 52.037 -0.200 0.000 0.827 439 A CB -0.393 18.486 19.000 -0.202 0.000 0.856 439 A HN 0.865 nan 8.150 nan 0.000 0.488 440 C N -1.756 117.636 119.300 0.154 0.000 3.492 440 C HA 0.365 4.825 4.460 -0.000 0.000 0.094 440 C C -0.752 174.323 174.990 0.143 0.000 2.650 440 C CA -0.080 59.060 59.018 0.203 0.000 1.006 440 C CB -0.460 27.388 27.740 0.179 0.000 1.973 440 C HN 0.440 nan 8.230 nan 0.000 0.555 441 D N 2.661 123.114 120.400 0.088 0.000 2.329 441 D HA 0.308 4.948 4.640 -0.000 0.000 0.246 441 D C -2.427 173.864 176.300 -0.013 0.000 1.111 441 D CA -0.825 53.203 54.000 0.048 0.000 0.941 441 D CB 0.440 41.230 40.800 -0.017 0.000 1.169 441 D HN 0.346 nan 8.370 nan 0.000 0.441 442 P HA 0.124 nan 4.420 nan 0.000 0.271 442 P C -0.368 176.884 177.300 -0.080 0.000 1.233 442 P CA -0.012 63.048 63.100 -0.067 0.000 0.764 442 P CB 0.717 32.445 31.700 0.046 0.000 0.825 443 R N 2.383 122.818 120.500 -0.109 0.000 2.532 443 R HA 0.476 4.815 4.340 -0.000 0.000 0.272 443 R C 0.270 176.546 176.300 -0.041 0.000 1.032 443 R CA -1.086 54.974 56.100 -0.066 0.000 1.089 443 R CB 0.533 30.794 30.300 -0.065 0.000 1.098 443 R HN 0.432 nan 8.270 nan 0.000 0.526 444 L N 2.049 123.268 121.223 -0.006 0.000 2.416 444 L HA 0.085 4.425 4.340 -0.000 0.000 0.272 444 L C 0.665 177.526 176.870 -0.014 0.000 1.161 444 L CA -0.433 54.420 54.840 0.022 0.000 0.845 444 L CB 0.046 42.147 42.059 0.071 0.000 1.119 444 L HN 0.470 nan 8.230 nan 0.000 0.464 445 N N 1.035 119.718 118.700 -0.028 0.000 2.283 445 N HA -0.122 4.618 4.740 -0.000 0.000 0.236 445 N C 1.324 176.803 175.510 -0.052 0.000 1.252 445 N CA 0.696 53.718 53.050 -0.047 0.000 0.856 445 N CB 0.742 39.194 38.487 -0.058 0.000 1.099 445 N HN 0.834 nan 8.380 nan 0.000 0.444 446 T N 1.095 115.612 114.554 -0.062 0.000 2.564 446 T HA -0.311 4.039 4.350 -0.000 0.000 0.264 446 T C 1.443 176.084 174.700 -0.100 0.000 1.100 446 T CA 2.083 64.134 62.100 -0.081 0.000 1.171 446 T CB -0.221 68.602 68.868 -0.075 0.000 0.863 446 T HN 0.589 nan 8.240 nan 0.000 0.430 447 Q N 0.134 119.900 119.800 -0.057 0.000 2.124 447 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 447 Q C 2.725 178.667 176.000 -0.095 0.000 0.977 447 Q CA 1.772 57.560 55.803 -0.025 0.000 0.850 447 Q CB -0.153 28.643 28.738 0.096 0.000 0.901 447 Q HN 0.738 nan 8.270 nan 0.000 0.429 448 Q N -0.298 119.446 119.800 -0.095 0.000 2.172 448 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 448 Q C 2.253 178.299 176.000 0.076 0.000 0.964 448 Q CA 1.457 57.204 55.803 -0.094 0.000 0.855 448 Q CB 0.142 28.833 28.738 -0.077 0.000 0.918 448 Q HN 0.337 nan 8.270 nan 0.000 0.444 449 S N 0.298 116.002 115.700 0.006 0.000 2.371 449 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 449 S C 1.873 176.451 174.600 -0.037 0.000 1.029 449 S CA 0.506 58.719 58.200 0.020 0.000 0.978 449 S CB -0.322 62.873 63.200 -0.009 0.000 0.833 449 S HN 0.129 nan 8.310 nan 0.000 0.466 450 L N 2.372 123.489 121.223 -0.176 0.000 2.012 450 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 450 L C 2.821 179.570 176.870 -0.202 0.000 1.073 450 L CA 2.091 56.752 54.840 -0.298 0.000 0.748 450 L CB -1.060 40.521 42.059 -0.798 0.000 0.891 450 L HN 0.513 nan 8.230 nan 0.000 0.431 451 E N -0.812 119.242 120.200 -0.244 0.000 2.153 451 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 451 E C 2.231 178.900 176.600 0.116 0.000 0.988 451 E CA 1.075 57.370 56.400 -0.174 0.000 0.811 451 E CB -0.089 29.555 29.700 -0.093 0.000 0.746 451 E HN 0.368 nan 8.360 nan 0.000 0.466 452 L N 0.406 121.764 121.223 0.225 0.000 2.109 452 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 452 L C 2.225 179.160 176.870 0.109 0.000 1.086 452 L CA 1.748 56.704 54.840 0.192 0.000 0.760 452 L CB -0.441 41.710 42.059 0.153 0.000 0.910 452 L HN 0.147 nan 8.230 nan 0.000 0.437 453 A N -0.367 122.496 122.820 0.072 0.000 1.865 453 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 453 A C 2.138 179.720 177.584 -0.004 0.000 1.191 453 A CA 2.159 54.203 52.037 0.012 0.000 0.623 453 A CB -1.284 17.685 19.000 -0.052 0.000 0.826 453 A HN 0.461 nan 8.150 nan 0.000 0.444 454 F N 0.017 119.940 119.950 -0.046 0.000 2.120 454 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 454 F C 2.198 178.056 175.800 0.097 0.000 1.095 454 F CA 1.710 59.725 58.000 0.025 0.000 1.249 454 F CB -0.414 38.544 39.000 -0.070 0.000 0.995 454 F HN 0.123 nan 8.300 nan 0.000 0.480 455 L N -0.917 120.471 121.223 0.275 0.000 2.056 455 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 455 L C 2.264 179.159 176.870 0.041 0.000 1.078 455 L CA 0.739 55.700 54.840 0.203 0.000 0.749 455 L CB -0.741 41.441 42.059 0.206 0.000 0.901 455 L HN -0.027 nan 8.230 nan 0.000 0.433 456 V N -0.112 119.799 119.914 -0.006 0.000 2.548 456 V HA -0.186 3.933 4.120 -0.000 0.000 0.249 456 V C 2.691 178.680 176.094 -0.174 0.000 1.055 456 V CA 1.464 63.694 62.300 -0.117 0.000 1.065 456 V CB -0.765 31.065 31.823 0.012 0.000 0.681 456 V HN 0.440 nan 8.190 nan 0.000 0.462 457 A N -0.163 122.597 122.820 -0.100 0.000 1.902 457 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 457 A C 2.183 179.717 177.584 -0.084 0.000 1.181 457 A CA 1.489 53.457 52.037 -0.115 0.000 0.623 457 A CB -0.331 18.603 19.000 -0.110 0.000 0.818 457 A HN 0.514 nan 8.150 nan 0.000 0.443 458 E N -0.458 119.726 120.200 -0.027 0.000 2.274 458 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 458 E C 1.916 178.446 176.600 -0.117 0.000 0.996 458 E CA 0.933 57.322 56.400 -0.019 0.000 0.840 458 E CB -0.313 29.419 29.700 0.055 0.000 0.772 458 E HN 0.745 nan 8.360 nan 0.000 0.491 459 M N 0.070 119.513 119.600 -0.262 0.000 2.200 459 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 459 M C 2.267 178.309 176.300 -0.429 0.000 1.066 459 M CA 0.915 55.933 55.300 -0.470 0.000 1.127 459 M CB -0.196 31.784 32.600 -1.034 0.000 1.379 459 M HN 0.026 nan 8.290 nan 0.000 0.420 460 L N -0.337 120.680 121.223 -0.345 0.000 2.083 460 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 460 L C 2.384 179.222 176.870 -0.052 0.000 1.083 460 L CA 1.362 56.148 54.840 -0.089 0.000 0.752 460 L CB -0.482 41.491 42.059 -0.143 0.000 0.899 460 L HN 0.214 nan 8.230 nan 0.000 0.433 461 R N -0.372 120.084 120.500 -0.073 0.000 2.280 461 R HA -0.028 4.312 4.340 -0.000 0.000 0.207 461 R C -0.052 176.237 176.300 -0.019 0.000 1.043 461 R CA 0.352 56.427 56.100 -0.041 0.000 1.006 461 R CB -0.168 30.116 30.300 -0.026 0.000 0.885 461 R HN 0.379 nan 8.270 nan 0.000 0.467 462 D N 0.000 120.389 120.400 -0.019 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.002 54.000 0.003 0.000 0.868 462 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683