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 2uxm_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.600 177.584 0.027 0.000 1.274 1 A CA 0.000 52.045 52.037 0.013 0.000 0.836 1 A CB 0.000 19.000 19.000 0.000 0.000 0.831 2 E N 0.287 120.504 120.200 0.028 0.000 2.391 2 E HA 0.415 4.765 4.350 0.000 0.000 0.255 2 E C -0.198 176.450 176.600 0.080 0.000 1.187 2 E CA -0.439 55.995 56.400 0.057 0.000 0.941 2 E CB 0.305 30.033 29.700 0.046 0.000 1.010 2 E HN 0.998 nan 8.360 nan 0.000 0.458 3 Y N 1.409 121.702 120.300 -0.012 0.000 2.969 3 Y HA -0.135 4.416 4.550 0.000 0.000 0.339 3 Y C 0.467 176.351 175.900 -0.027 0.000 1.272 3 Y CA 0.828 58.922 58.100 -0.010 0.000 1.577 3 Y CB 0.648 39.102 38.460 -0.009 0.000 1.234 3 Y HN 0.567 nan 8.280 nan 0.000 0.590 4 Q N 3.626 122.978 119.800 -0.746 0.000 2.280 4 Q HA 0.017 4.357 4.340 0.000 0.000 0.228 4 Q C 0.467 176.051 176.000 -0.693 0.000 0.857 4 Q CA 0.453 55.917 55.803 -0.565 0.000 0.939 4 Q CB 0.184 28.747 28.738 -0.292 0.000 1.114 4 Q HN 0.924 nan 8.270 nan 0.000 0.514 5 N N 0.395 118.390 118.700 -1.175 0.000 2.829 5 N HA -0.160 4.581 4.740 0.000 0.000 0.250 5 N C 0.635 175.929 175.510 -0.359 0.000 1.090 5 N CA 0.592 53.268 53.050 -0.622 0.000 0.781 5 N CB -0.708 37.559 38.487 -0.367 0.000 1.124 5 N HN 0.251 nan 8.380 nan 0.000 0.559 6 I N -1.552 118.791 120.570 -0.379 0.000 2.339 6 I HA -0.003 4.167 4.170 0.000 0.000 0.245 6 I C 0.664 176.472 176.117 -0.514 0.000 1.096 6 I CA 1.250 62.273 61.300 -0.462 0.000 1.408 6 I CB -0.414 37.266 38.000 -0.532 0.000 1.092 6 I HN -0.073 nan 8.210 nan 0.000 0.423 7 F N 0.830 120.865 119.950 0.141 0.000 2.532 7 F HA 0.409 4.936 4.527 0.000 0.000 0.321 7 F C 0.700 176.709 175.800 0.348 0.000 1.089 7 F CA -1.009 57.153 58.000 0.269 0.000 0.926 7 F CB 1.238 40.388 39.000 0.250 0.000 1.168 7 F HN -0.271 nan 8.300 nan 0.000 0.459 8 S N 1.259 117.300 115.700 0.569 0.000 2.576 8 S HA 0.093 4.563 4.470 0.000 0.000 0.276 8 S C 0.881 175.767 174.600 0.477 0.000 1.339 8 S CA -0.543 57.925 58.200 0.447 0.000 1.039 8 S CB 1.079 64.456 63.200 0.295 0.000 0.902 8 S HN 0.702 nan 8.310 nan 0.000 0.516 9 Q N 0.442 120.381 119.800 0.231 0.000 2.269 9 Q HA 0.128 4.468 4.340 0.000 0.000 0.201 9 Q C -0.413 175.742 176.000 0.258 0.000 0.946 9 Q CA 0.626 56.532 55.803 0.172 0.000 0.877 9 Q CB 0.293 28.969 28.738 -0.103 0.000 0.963 9 Q HN 0.419 nan 8.270 nan 0.000 0.472 10 V N 1.236 121.248 119.914 0.164 0.000 2.612 10 V HA 0.205 4.325 4.120 0.000 0.000 0.301 10 V C -0.935 175.156 176.094 -0.004 0.000 1.059 10 V CA -0.806 61.542 62.300 0.079 0.000 0.886 10 V CB 1.893 33.726 31.823 0.018 0.000 1.007 10 V HN 0.092 nan 8.190 nan 0.000 0.426 11 Q N 2.550 122.285 119.800 -0.108 0.000 2.222 11 Q HA 0.800 5.141 4.340 0.000 0.000 0.252 11 Q C -0.669 175.265 176.000 -0.110 0.000 0.926 11 Q CA -0.692 55.011 55.803 -0.167 0.000 0.899 11 Q CB 2.747 31.276 28.738 -0.349 0.000 1.250 11 Q HN 0.762 nan 8.270 nan 0.000 0.441 12 V N -0.973 118.890 119.914 -0.084 0.000 2.914 12 V HA 0.764 4.885 4.120 0.000 0.000 0.314 12 V C -0.837 175.213 176.094 -0.072 0.000 1.084 12 V CA -1.001 61.257 62.300 -0.070 0.000 0.963 12 V CB 2.244 34.039 31.823 -0.045 0.000 1.025 12 V HN 0.776 nan 8.190 nan 0.000 0.432 13 R N 0.921 121.365 120.500 -0.094 0.000 2.771 13 R HA 0.830 5.170 4.340 0.000 0.000 0.274 13 R C -0.337 175.893 176.300 -0.117 0.000 0.987 13 R CA 0.117 56.143 56.100 -0.123 0.000 0.908 13 R CB 2.412 32.565 30.300 -0.245 0.000 1.213 13 R HN 1.271 nan 8.270 nan 0.000 0.468 14 G N 1.785 110.523 108.800 -0.103 0.000 2.870 14 G HA2 0.529 4.489 3.960 0.000 0.000 0.299 14 G HA3 0.529 4.489 3.960 0.000 0.000 0.299 14 G C -2.721 172.141 174.900 -0.063 0.000 1.324 14 G CA -0.825 44.230 45.100 -0.075 0.000 0.808 14 G HN 0.393 nan 8.290 nan 0.000 0.535 15 P HA 0.394 nan 4.420 nan 0.000 0.267 15 P C 0.067 177.419 177.300 0.086 0.000 1.201 15 P CA 0.057 63.164 63.100 0.010 0.000 0.775 15 P CB 0.488 32.196 31.700 0.012 0.000 0.854 16 A N 1.927 124.830 122.820 0.138 0.000 2.524 16 A HA 0.021 4.341 4.320 0.000 0.000 0.250 16 A C 0.466 178.119 177.584 0.114 0.000 1.078 16 A CA -0.001 52.168 52.037 0.220 0.000 0.761 16 A CB -0.404 18.726 19.000 0.218 0.000 1.012 16 A HN 0.504 nan 8.150 nan 0.000 0.500 17 D N 3.309 123.771 120.400 0.103 0.000 2.367 17 D HA 0.048 4.688 4.640 0.000 0.000 0.255 17 D C 0.989 177.306 176.300 0.029 0.000 1.300 17 D CA -0.031 53.999 54.000 0.051 0.000 0.959 17 D CB 0.461 41.285 40.800 0.040 0.000 1.064 17 D HN 0.474 nan 8.370 nan 0.000 0.509 18 L N 2.367 123.607 121.223 0.028 0.000 2.275 18 L HA 0.029 4.369 4.340 0.000 0.000 0.215 18 L C 1.374 178.251 176.870 0.012 0.000 1.119 18 L CA 1.127 55.979 54.840 0.020 0.000 0.790 18 L CB -0.995 41.077 42.059 0.022 0.000 0.919 18 L HN 0.627 nan 8.230 nan 0.000 0.443 19 G N -0.900 107.904 108.800 0.007 0.000 2.661 19 G HA2 -0.179 3.781 3.960 0.000 0.000 0.685 19 G HA3 -0.179 3.781 3.960 0.000 0.000 0.685 19 G C -0.298 174.597 174.900 -0.007 0.000 1.298 19 G CA -0.766 44.332 45.100 -0.003 0.000 0.855 19 G HN -0.089 nan 8.290 nan 0.000 0.560 20 M N 0.808 120.398 119.600 -0.017 0.000 2.228 20 M HA 0.281 4.761 4.480 0.000 0.000 0.351 20 M C 1.760 178.046 176.300 -0.024 0.000 1.233 20 M CA 0.416 55.703 55.300 -0.022 0.000 1.129 20 M CB 0.119 32.699 32.600 -0.033 0.000 1.604 20 M HN 0.683 nan 8.290 nan 0.000 0.457 21 T N 0.992 115.535 114.554 -0.019 0.000 2.781 21 T HA -0.022 4.328 4.350 0.000 0.000 0.252 21 T C 0.782 175.464 174.700 -0.030 0.000 1.039 21 T CA 0.467 62.557 62.100 -0.017 0.000 1.147 21 T CB 0.140 69.004 68.868 -0.008 0.000 0.865 21 T HN 0.621 nan 8.240 nan 0.000 0.423 22 E N 0.930 121.112 120.200 -0.031 0.000 3.439 22 E HA -0.218 4.132 4.350 0.000 0.000 0.385 22 E C 0.415 176.994 176.600 -0.035 0.000 1.557 22 E CA 1.760 58.137 56.400 -0.037 0.000 1.684 22 E CB -1.249 28.419 29.700 -0.053 0.000 1.677 22 E HN 0.377 nan 8.360 nan 0.000 0.455 23 D N 0.687 121.059 120.400 -0.046 0.000 2.325 23 D HA 0.172 4.812 4.640 0.000 0.000 0.225 23 D C -0.299 175.974 176.300 -0.044 0.000 1.096 23 D CA 0.103 54.079 54.000 -0.039 0.000 0.844 23 D CB 0.138 40.913 40.800 -0.042 0.000 0.925 23 D HN -0.000 nan 8.370 nan 0.000 0.513 24 V N 2.035 121.915 119.914 -0.056 0.000 2.529 24 V HA -0.033 4.087 4.120 0.000 0.000 0.292 24 V C 0.870 176.983 176.094 0.032 0.000 1.028 24 V CA -0.674 61.590 62.300 -0.059 0.000 1.074 24 V CB 0.439 32.208 31.823 -0.091 0.000 0.958 24 V HN 0.115 nan 8.190 nan 0.000 0.481 25 N N 4.804 123.562 118.700 0.097 0.000 2.400 25 N HA 0.049 4.790 4.740 0.000 0.000 0.278 25 N C 0.602 176.222 175.510 0.182 0.000 1.247 25 N CA -0.070 53.062 53.050 0.136 0.000 0.970 25 N CB 0.472 39.049 38.487 0.151 0.000 1.312 25 N HN 0.546 nan 8.380 nan 0.000 0.488 26 L N 3.023 124.307 121.223 0.100 0.000 2.456 26 L HA -0.019 4.321 4.340 0.000 0.000 0.224 26 L C 2.304 179.196 176.870 0.038 0.000 1.148 26 L CA 1.061 55.950 54.840 0.082 0.000 0.825 26 L CB -0.713 41.373 42.059 0.045 0.000 0.937 26 L HN 0.573 nan 8.230 nan 0.000 0.450 27 A N 0.271 123.103 122.820 0.020 0.000 1.908 27 A HA -0.195 4.125 4.320 0.000 0.000 0.218 27 A C 1.962 179.500 177.584 -0.078 0.000 1.181 27 A CA 1.782 53.806 52.037 -0.021 0.000 0.627 27 A CB -0.527 18.461 19.000 -0.019 0.000 0.818 27 A HN 0.464 nan 8.150 nan 0.000 0.445 28 N N -0.147 118.467 118.700 -0.144 0.000 2.501 28 N HA 0.034 4.775 4.740 0.000 0.000 0.195 28 N C 0.228 175.468 175.510 -0.449 0.000 1.213 28 N CA 0.300 53.105 53.050 -0.408 0.000 0.864 28 N CB -0.153 37.855 38.487 -0.797 0.000 0.999 28 N HN 0.426 nan 8.380 nan 0.000 0.454 29 R N 0.432 120.847 120.500 -0.141 0.000 2.407 29 R HA 0.214 4.554 4.340 0.000 0.000 0.303 29 R C 0.651 176.926 176.300 -0.041 0.000 0.981 29 R CA -0.304 55.775 56.100 -0.035 0.000 0.905 29 R CB 1.213 31.559 30.300 0.078 0.000 1.099 29 R HN 0.108 nan 8.270 nan 0.000 0.459 30 S N 1.602 117.283 115.700 -0.033 0.000 2.641 30 S HA 0.234 4.705 4.470 0.000 0.000 0.251 30 S C 0.601 175.197 174.600 -0.007 0.000 1.332 30 S CA -0.184 58.003 58.200 -0.022 0.000 0.968 30 S CB 0.789 63.979 63.200 -0.017 0.000 0.987 30 S HN 0.645 nan 8.310 nan 0.000 0.587 31 G N -0.835 107.963 108.800 -0.004 0.000 2.557 31 G HA2 0.560 4.520 3.960 0.000 0.000 0.302 31 G HA3 0.560 4.520 3.960 0.000 0.000 0.302 31 G C 0.180 175.078 174.900 -0.003 0.000 1.311 31 G CA -0.495 44.608 45.100 0.004 0.000 1.030 31 G HN 1.509 nan 8.290 nan 0.000 0.509 32 V N -1.446 118.468 119.914 0.001 0.000 3.287 32 V HA 0.649 4.769 4.120 0.000 0.000 0.306 32 V C 1.037 177.108 176.094 -0.038 0.000 1.103 32 V CA 0.160 62.438 62.300 -0.035 0.000 1.159 32 V CB 0.397 32.197 31.823 -0.038 0.000 1.036 32 V HN 0.994 nan 8.190 nan 0.000 0.487 33 G N 1.098 109.844 108.800 -0.089 0.000 2.702 33 G HA2 0.702 4.662 3.960 0.000 0.000 0.254 33 G HA3 0.702 4.662 3.960 0.000 0.000 0.254 33 G C -2.528 172.323 174.900 -0.082 0.000 1.380 33 G CA -1.059 44.002 45.100 -0.066 0.000 1.042 33 G HN 0.837 nan 8.290 nan 0.000 0.557 34 P HA 0.381 nan 4.420 nan 0.000 0.276 34 P C -1.329 175.938 177.300 -0.056 0.000 1.261 34 P CA -0.443 62.677 63.100 0.034 0.000 0.800 34 P CB 0.959 32.687 31.700 0.047 0.000 1.066 35 F N -0.141 119.803 119.950 -0.011 0.000 2.405 35 F HA 0.250 4.777 4.527 0.000 0.000 0.355 35 F C 1.326 177.112 175.800 -0.023 0.000 1.121 35 F CA -0.091 57.897 58.000 -0.021 0.000 1.112 35 F CB 1.152 40.132 39.000 -0.033 0.000 1.126 35 F HN 0.109 nan 8.300 nan 0.000 0.481 36 S N 2.658 118.408 115.700 0.083 0.000 2.464 36 S HA 0.122 4.593 4.470 0.000 0.000 0.313 36 S C 1.165 175.779 174.600 0.024 0.000 1.078 36 S CA -0.504 57.729 58.200 0.055 0.000 1.096 36 S CB 0.322 63.541 63.200 0.033 0.000 1.032 36 S HN 0.768 nan 8.310 nan 0.000 0.498 37 T N 5.207 119.761 114.554 -0.001 0.000 2.802 37 T HA -0.164 4.186 4.350 0.000 0.000 0.269 37 T C 1.589 176.199 174.700 -0.149 0.000 1.062 37 T CA 1.813 63.833 62.100 -0.133 0.000 1.133 37 T CB -0.335 68.494 68.868 -0.065 0.000 0.852 37 T HN 0.613 nan 8.240 nan 0.000 0.485 38 L N 0.362 121.623 121.223 0.064 0.000 2.007 38 L HA 0.077 4.417 4.340 0.000 0.000 0.205 38 L C 2.066 179.066 176.870 0.216 0.000 1.073 38 L CA 1.490 56.464 54.840 0.224 0.000 0.744 38 L CB -0.707 41.445 42.059 0.155 0.000 0.898 38 L HN 0.094 nan 8.230 nan 0.000 0.435 39 L N 0.422 121.718 121.223 0.122 0.000 2.079 39 L HA -0.083 4.258 4.340 0.000 0.000 0.210 39 L C 2.436 179.402 176.870 0.161 0.000 1.081 39 L CA 1.966 56.893 54.840 0.145 0.000 0.752 39 L CB -1.791 40.320 42.059 0.087 0.000 0.896 39 L HN 0.447 nan 8.230 nan 0.000 0.433 40 G N -2.621 106.187 108.800 0.015 0.000 2.625 40 G HA2 -0.256 3.705 3.960 0.000 0.000 0.214 40 G HA3 -0.256 3.705 3.960 0.000 0.000 0.214 40 G C 1.234 176.087 174.900 -0.078 0.000 1.132 40 G CA 0.102 45.162 45.100 -0.067 0.000 0.782 40 G HN 0.488 nan 8.290 nan 0.000 0.538 41 W N -1.421 119.992 121.300 0.188 0.000 2.595 41 W HA 0.283 4.943 4.660 0.000 0.000 0.257 41 W C 1.741 178.528 176.519 0.447 0.000 1.267 41 W CA -0.366 57.127 57.345 0.247 0.000 1.300 41 W CB -0.003 29.540 29.460 0.139 0.000 1.120 41 W HN 0.202 nan 8.180 nan 0.000 0.618 42 F N -1.408 118.782 119.950 0.400 0.000 2.581 42 F HA 0.446 4.973 4.527 0.000 0.000 0.278 42 F C 1.447 177.342 175.800 0.158 0.000 1.000 42 F CA 1.119 59.319 58.000 0.332 0.000 1.230 42 F CB -0.206 39.003 39.000 0.348 0.000 1.008 42 F HN -0.253 nan 8.300 nan 0.000 0.695 43 G N -0.300 108.639 108.800 0.232 0.000 3.214 43 G HA2 0.211 4.171 3.960 0.000 0.000 0.188 43 G HA3 0.211 4.171 3.960 0.000 0.000 0.188 43 G C -1.310 173.636 174.900 0.076 0.000 1.126 43 G CA -0.648 44.504 45.100 0.088 0.000 0.796 43 G HN -0.057 nan 8.290 nan 0.000 0.631 44 N N 0.687 119.421 118.700 0.056 0.000 2.514 44 N HA 0.461 5.202 4.740 0.000 0.000 0.277 44 N C 1.132 176.657 175.510 0.025 0.000 1.126 44 N CA 0.316 53.385 53.050 0.031 0.000 0.978 44 N CB 1.750 40.243 38.487 0.010 0.000 1.106 44 N HN 0.513 nan 8.380 nan 0.000 0.461 45 A N 2.600 125.438 122.820 0.031 0.000 1.929 45 A HA -0.127 4.193 4.320 0.000 0.000 0.216 45 A C 1.014 178.540 177.584 -0.096 0.000 1.176 45 A CA 0.779 52.841 52.037 0.041 0.000 0.628 45 A CB -0.424 18.665 19.000 0.149 0.000 0.816 45 A HN 0.776 nan 8.150 nan 0.000 0.444 46 Q N 0.622 120.292 119.800 -0.217 0.000 2.274 46 Q HA 0.248 4.589 4.340 0.000 0.000 0.280 46 Q C -1.039 174.728 176.000 -0.387 0.000 1.047 46 Q CA -0.078 55.333 55.803 -0.653 0.000 0.907 46 Q CB 0.276 28.708 28.738 -0.510 0.000 1.171 46 Q HN 0.293 nan 8.270 nan 0.000 0.381 47 L N 4.005 124.970 121.223 -0.431 0.000 2.322 47 L HA 0.582 4.922 4.340 0.000 0.000 0.279 47 L C 0.872 177.621 176.870 -0.203 0.000 1.036 47 L CA 1.344 56.049 54.840 -0.226 0.000 0.807 47 L CB 0.542 42.505 42.059 -0.160 0.000 1.226 47 L HN 1.052 nan 8.230 nan 0.000 0.433 48 G N 4.685 113.417 108.800 -0.114 0.000 2.749 48 G HA2 -0.164 3.796 3.960 0.000 0.000 0.242 48 G HA3 -0.164 3.796 3.960 0.000 0.000 0.242 48 G C -2.692 172.163 174.900 -0.074 0.000 1.364 48 G CA -0.758 44.297 45.100 -0.076 0.000 0.888 48 G HN 0.465 nan 8.290 nan 0.000 0.566 49 P HA 0.536 nan 4.420 nan 0.000 0.274 49 P C 0.165 177.470 177.300 0.008 0.000 1.246 49 P CA -0.399 62.694 63.100 -0.012 0.000 0.795 49 P CB 0.950 32.654 31.700 0.006 0.000 1.006 50 I N 0.208 120.791 120.570 0.021 0.000 3.076 50 I HA 0.443 4.613 4.170 0.000 0.000 0.313 50 I C -1.092 175.076 176.117 0.086 0.000 1.053 50 I CA -1.362 59.969 61.300 0.051 0.000 1.048 50 I CB 1.602 39.630 38.000 0.047 0.000 1.264 50 I HN 0.210 nan 8.210 nan 0.000 0.498 51 Y N 4.876 125.154 120.300 -0.036 0.000 2.328 51 Y HA 0.382 4.932 4.550 0.000 0.000 0.336 51 Y C -0.588 175.286 175.900 -0.044 0.000 0.960 51 Y CA -0.709 57.363 58.100 -0.046 0.000 1.134 51 Y CB 0.997 39.416 38.460 -0.067 0.000 1.166 51 Y HN 0.456 nan 8.280 nan 0.000 0.464 52 L N 4.266 125.204 121.223 -0.475 0.000 1.922 52 L HA 0.472 4.812 4.340 0.000 0.000 0.224 52 L C 1.265 177.937 176.870 -0.330 0.000 1.109 52 L CA 1.443 56.095 54.840 -0.314 0.000 1.405 52 L CB -1.414 40.470 42.059 -0.291 0.000 1.179 52 L HN 0.953 nan 8.230 nan 0.000 0.700 53 G N -1.862 106.719 108.800 -0.366 0.000 2.781 53 G HA2 -0.202 3.758 3.960 0.000 0.000 0.683 53 G HA3 -0.202 3.758 3.960 0.000 0.000 0.683 53 G C 0.554 175.425 174.900 -0.049 0.000 1.390 53 G CA -0.051 44.947 45.100 -0.169 0.000 0.850 53 G HN 0.346 nan 8.290 nan 0.000 0.557 54 S N -0.312 115.385 115.700 -0.005 0.000 2.338 54 S HA -0.011 4.459 4.470 0.000 0.000 0.218 54 S C 2.639 177.262 174.600 0.038 0.000 1.032 54 S CA 1.491 59.697 58.200 0.010 0.000 0.999 54 S CB -0.346 62.863 63.200 0.015 0.000 0.905 54 S HN 0.539 nan 8.310 nan 0.000 0.439 55 L N 1.132 122.384 121.223 0.049 0.000 2.013 55 L HA -0.179 4.161 4.340 0.000 0.000 0.212 55 L C 2.699 179.615 176.870 0.077 0.000 1.073 55 L CA 1.501 56.380 54.840 0.065 0.000 0.753 55 L CB -1.403 40.680 42.059 0.041 0.000 0.890 55 L HN 0.470 nan 8.230 nan 0.000 0.432 56 G N -0.461 108.367 108.800 0.047 0.000 2.631 56 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 56 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 56 G C 1.590 176.567 174.900 0.129 0.000 1.214 56 G CA 1.210 46.349 45.100 0.065 0.000 0.785 56 G HN 0.231 nan 8.290 nan 0.000 0.596 57 V N 0.728 120.693 119.914 0.084 0.000 2.282 57 V HA -0.180 3.941 4.120 0.000 0.000 0.249 57 V C 2.777 178.963 176.094 0.153 0.000 1.057 57 V CA 2.021 64.377 62.300 0.094 0.000 1.032 57 V CB -0.435 31.406 31.823 0.029 0.000 0.645 57 V HN 0.408 nan 8.190 nan 0.000 0.447 58 L N -0.203 121.105 121.223 0.142 0.000 2.046 58 L HA -0.130 4.210 4.340 0.000 0.000 0.208 58 L C 2.571 179.591 176.870 0.251 0.000 1.077 58 L CA 2.608 57.567 54.840 0.198 0.000 0.747 58 L CB -0.874 41.279 42.059 0.157 0.000 0.896 58 L HN 0.329 nan 8.230 nan 0.000 0.432 59 S N -0.982 114.854 115.700 0.227 0.000 2.345 59 S HA -0.171 4.299 4.470 0.000 0.000 0.220 59 S C 2.073 176.788 174.600 0.190 0.000 1.031 59 S CA 1.499 59.845 58.200 0.244 0.000 0.996 59 S CB -0.539 62.893 63.200 0.386 0.000 0.882 59 S HN 0.449 nan 8.310 nan 0.000 0.445 60 L N 0.467 121.818 121.223 0.215 0.000 2.043 60 L HA -0.053 4.288 4.340 0.000 0.000 0.212 60 L C 2.161 179.094 176.870 0.106 0.000 1.075 60 L CA 2.048 56.969 54.840 0.135 0.000 0.752 60 L CB -0.607 41.549 42.059 0.161 0.000 0.891 60 L HN 0.547 nan 8.230 nan 0.000 0.432 61 F N -1.348 118.618 119.950 0.027 0.000 2.128 61 F HA -0.167 4.360 4.527 0.000 0.000 0.295 61 F C 2.705 178.475 175.800 -0.049 0.000 1.100 61 F CA 1.635 59.636 58.000 0.002 0.000 1.260 61 F CB -0.604 38.407 39.000 0.019 0.000 1.009 61 F HN 0.032 nan 8.300 nan 0.000 0.476 62 S N -0.001 115.666 115.700 -0.056 0.000 2.419 62 S HA -0.066 4.404 4.470 0.000 0.000 0.233 62 S C 2.224 176.743 174.600 -0.136 0.000 1.016 62 S CA 1.241 59.350 58.200 -0.152 0.000 0.974 62 S CB -1.155 62.125 63.200 0.134 0.000 0.786 62 S HN 0.610 nan 8.310 nan 0.000 0.492 63 G N 1.613 110.358 108.800 -0.092 0.000 2.434 63 G HA2 -0.078 3.882 3.960 0.000 0.000 0.214 63 G HA3 -0.078 3.882 3.960 0.000 0.000 0.214 63 G C 1.361 176.225 174.900 -0.061 0.000 1.202 63 G CA 0.751 45.808 45.100 -0.071 0.000 0.788 63 G HN 0.493 nan 8.290 nan 0.000 0.539 64 L N -0.007 121.083 121.223 -0.223 0.000 2.021 64 L HA -0.193 4.148 4.340 0.000 0.000 0.215 64 L C 3.123 179.732 176.870 -0.435 0.000 1.074 64 L CA 1.139 55.720 54.840 -0.431 0.000 0.760 64 L CB -0.437 41.420 42.059 -0.336 0.000 0.889 64 L HN 0.152 nan 8.230 nan 0.000 0.433 65 M N -1.232 118.089 119.600 -0.466 0.000 2.106 65 M HA -0.272 4.208 4.480 0.000 0.000 0.259 65 M C 2.095 178.299 176.300 -0.160 0.000 1.068 65 M CA 1.858 56.818 55.300 -0.567 0.000 1.100 65 M CB -1.363 30.278 32.600 -1.599 0.000 1.351 65 M HN 0.471 nan 8.290 nan 0.000 0.404 66 W N 0.430 121.616 121.300 -0.189 0.000 2.333 66 W HA -0.283 4.377 4.660 0.000 0.000 0.316 66 W C 2.237 178.693 176.519 -0.106 0.000 1.215 66 W CA 1.582 58.896 57.345 -0.051 0.000 1.278 66 W CB -0.943 28.467 29.460 -0.084 0.000 1.154 66 W HN 0.183 nan 8.180 nan 0.000 0.486 67 F N -0.192 119.526 119.950 -0.388 0.000 2.216 67 F HA -0.129 4.398 4.527 0.000 0.000 0.300 67 F C 2.022 177.558 175.800 -0.439 0.000 1.085 67 F CA 1.820 59.428 58.000 -0.653 0.000 1.326 67 F CB -0.904 37.757 39.000 -0.566 0.000 1.027 67 F HN -0.092 nan 8.300 nan 0.000 0.497 68 F N -0.885 118.961 119.950 -0.172 0.000 2.270 68 F HA -0.145 4.383 4.527 0.000 0.000 0.295 68 F C 2.340 178.041 175.800 -0.165 0.000 1.087 68 F CA 1.033 58.926 58.000 -0.180 0.000 1.365 68 F CB -0.755 38.196 39.000 -0.081 0.000 1.056 68 F HN -0.234 nan 8.300 nan 0.000 0.506 69 T N 0.980 115.564 114.554 0.049 0.000 2.720 69 T HA -0.201 4.149 4.350 0.000 0.000 0.268 69 T C 1.868 176.513 174.700 -0.091 0.000 1.037 69 T CA 1.414 63.533 62.100 0.031 0.000 1.144 69 T CB -0.426 68.486 68.868 0.074 0.000 0.864 69 T HN 0.184 nan 8.240 nan 0.000 0.444 70 I N 1.075 121.426 120.570 -0.366 0.000 2.353 70 I HA -0.022 4.148 4.170 0.000 0.000 0.248 70 I C 2.879 178.656 176.117 -0.567 0.000 1.119 70 I CA 1.125 62.111 61.300 -0.523 0.000 1.417 70 I CB -0.597 36.868 38.000 -0.892 0.000 1.078 70 I HN 0.300 nan 8.210 nan 0.000 0.421 71 G N 1.271 109.777 108.800 -0.489 0.000 2.402 71 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 71 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 71 G C 1.580 176.564 174.900 0.141 0.000 1.162 71 G CA 0.395 45.345 45.100 -0.251 0.000 0.777 71 G HN 0.121 nan 8.290 nan 0.000 0.539 72 I N 0.270 120.945 120.570 0.174 0.000 2.118 72 I HA -0.163 4.008 4.170 0.000 0.000 0.241 72 I C 2.397 178.664 176.117 0.250 0.000 1.070 72 I CA 0.513 61.965 61.300 0.252 0.000 1.327 72 I CB -1.296 36.839 38.000 0.224 0.000 1.034 72 I HN 0.472 nan 8.210 nan 0.000 0.405 73 W N 0.848 122.201 121.300 0.088 0.000 2.350 73 W HA -0.289 4.372 4.660 0.000 0.000 0.289 73 W C 2.268 178.909 176.519 0.205 0.000 1.215 73 W CA 1.113 58.558 57.345 0.168 0.000 1.236 73 W CB -0.300 29.268 29.460 0.180 0.000 1.130 73 W HN 0.029 nan 8.180 nan 0.000 0.541 74 F N -0.442 119.421 119.950 -0.144 0.000 2.060 74 F HA -0.087 4.440 4.527 0.000 0.000 0.295 74 F C 2.188 177.497 175.800 -0.818 0.000 1.120 74 F CA 1.139 58.772 58.000 -0.610 0.000 1.205 74 F CB -1.741 37.003 39.000 -0.428 0.000 0.986 74 F HN -0.152 nan 8.300 nan 0.000 0.470 75 W N -0.633 120.534 121.300 -0.222 0.000 2.290 75 W HA -0.348 4.312 4.660 0.000 0.000 0.328 75 W C 2.663 178.515 176.519 -1.112 0.000 1.272 75 W CA 2.246 59.245 57.345 -0.578 0.000 1.262 75 W CB -1.455 27.638 29.460 -0.612 0.000 1.151 75 W HN 0.119 nan 8.180 nan 0.000 0.473 76 Y N 1.032 120.618 120.300 -1.191 0.000 2.241 76 Y HA -0.339 4.211 4.550 0.000 0.000 0.286 76 Y C 2.302 177.703 175.900 -0.831 0.000 1.166 76 Y CA 2.338 59.704 58.100 -1.223 0.000 1.203 76 Y CB -0.725 37.358 38.460 -0.628 0.000 0.977 76 Y HN 0.134 nan 8.280 nan 0.000 0.529 77 Q N -0.898 118.307 119.800 -0.992 0.000 2.311 77 Q HA 0.033 4.373 4.340 0.000 0.000 0.203 77 Q C 2.020 177.691 176.000 -0.548 0.000 0.954 77 Q CA 0.681 55.964 55.803 -0.866 0.000 0.885 77 Q CB -0.060 28.244 28.738 -0.724 0.000 0.963 77 Q HN 0.571 nan 8.270 nan 0.000 0.471 78 A N 0.097 122.567 122.820 -0.584 0.000 2.238 78 A HA 0.240 4.560 4.320 0.000 0.000 0.208 78 A C 1.303 178.781 177.584 -0.178 0.000 1.177 78 A CA 0.622 52.527 52.037 -0.220 0.000 0.804 78 A CB -0.469 18.451 19.000 -0.133 0.000 0.823 78 A HN 0.396 nan 8.150 nan 0.000 0.482 79 G N -1.928 106.655 108.800 -0.360 0.000 2.341 79 G HA2 -0.306 3.654 3.960 0.000 0.000 0.292 79 G HA3 -0.306 3.654 3.960 0.000 0.000 0.292 79 G C 0.355 175.299 174.900 0.075 0.000 1.021 79 G CA 0.391 45.376 45.100 -0.192 0.000 0.905 79 G HN 1.127 nan 8.290 nan 0.000 0.508 80 W N -2.723 118.642 121.300 0.110 0.000 2.589 80 W HA -0.210 4.450 4.660 0.000 0.000 0.272 80 W C 0.787 177.454 176.519 0.247 0.000 1.060 80 W CA 0.376 57.842 57.345 0.201 0.000 0.533 80 W CB -1.818 27.682 29.460 0.068 0.000 2.084 80 W HN 0.618 nan 8.180 nan 0.000 1.371 81 N N 1.346 120.246 118.700 0.332 0.000 2.415 81 N HA 0.157 4.897 4.740 0.000 0.000 0.246 81 N C -1.059 174.646 175.510 0.325 0.000 1.078 81 N CA -1.590 51.624 53.050 0.273 0.000 0.942 81 N CB 1.185 39.764 38.487 0.153 0.000 1.140 81 N HN -0.201 nan 8.380 nan 0.000 0.501 82 P HA -0.157 nan 4.420 nan 0.000 0.216 82 P C 0.733 178.170 177.300 0.228 0.000 1.154 82 P CA 1.508 64.849 63.100 0.403 0.000 0.865 82 P CB 0.244 32.147 31.700 0.338 0.000 0.789 83 A N -1.132 121.785 122.820 0.160 0.000 2.014 83 A HA -0.072 4.248 4.320 0.000 0.000 0.218 83 A C 2.252 179.872 177.584 0.060 0.000 1.163 83 A CA 1.237 53.331 52.037 0.095 0.000 0.652 83 A CB -1.393 17.646 19.000 0.064 0.000 0.808 83 A HN 0.056 nan 8.150 nan 0.000 0.449 84 V N -1.357 118.604 119.914 0.078 0.000 2.488 84 V HA -0.163 3.957 4.120 0.000 0.000 0.246 84 V C 2.153 178.296 176.094 0.082 0.000 1.046 84 V CA 1.675 64.000 62.300 0.042 0.000 1.053 84 V CB -0.927 30.927 31.823 0.051 0.000 0.679 84 V HN 0.616 nan 8.190 nan 0.000 0.458 85 F N 0.785 120.691 119.950 -0.072 0.000 2.065 85 F HA -0.232 4.295 4.527 0.000 0.000 0.298 85 F C 2.084 177.838 175.800 -0.076 0.000 1.112 85 F CA 1.874 59.770 58.000 -0.173 0.000 1.212 85 F CB -0.231 38.319 39.000 -0.750 0.000 0.975 85 F HN 0.010 nan 8.300 nan 0.000 0.476 86 L N -0.165 121.042 121.223 -0.027 0.000 2.201 86 L HA -0.167 4.173 4.340 0.000 0.000 0.212 86 L C 2.614 179.343 176.870 -0.234 0.000 1.105 86 L CA 1.408 56.167 54.840 -0.135 0.000 0.775 86 L CB -0.855 41.198 42.059 -0.009 0.000 0.913 86 L HN 0.214 nan 8.230 nan 0.000 0.440 87 R N 0.439 120.826 120.500 -0.189 0.000 2.062 87 R HA -0.118 4.222 4.340 0.000 0.000 0.229 87 R C 0.626 176.722 176.300 -0.340 0.000 1.128 87 R CA 1.488 57.454 56.100 -0.223 0.000 0.960 87 R CB 0.168 30.363 30.300 -0.174 0.000 0.855 87 R HN 0.233 nan 8.270 nan 0.000 0.432 88 D N 0.613 120.724 120.400 -0.481 0.000 2.463 88 D HA 0.007 4.647 4.640 0.000 0.000 0.224 88 D C 1.175 176.812 176.300 -1.105 0.000 1.174 88 D CA -0.135 53.406 54.000 -0.765 0.000 0.829 88 D CB 0.600 40.789 40.800 -1.018 0.000 0.993 88 D HN 0.097 nan 8.370 nan 0.000 0.497 89 L N 0.218 121.007 121.223 -0.723 0.000 2.021 89 L HA -0.198 4.142 4.340 0.000 0.000 0.215 89 L C 1.374 178.054 176.870 -0.317 0.000 1.074 89 L CA 1.813 56.325 54.840 -0.547 0.000 0.760 89 L CB -0.495 41.234 42.059 -0.550 0.000 0.889 89 L HN 0.007 nan 8.230 nan 0.000 0.433 90 F N -1.978 117.628 119.950 -0.573 0.000 2.811 90 F HA 0.053 4.580 4.527 0.000 0.000 0.301 90 F C 1.811 177.029 175.800 -0.970 0.000 1.151 90 F CA 0.080 57.519 58.000 -0.935 0.000 1.412 90 F CB -1.056 36.914 39.000 -1.716 0.000 1.113 90 F HN 0.060 nan 8.300 nan 0.000 0.579 91 F N -2.146 117.473 119.950 -0.553 0.000 2.717 91 F HA 0.174 4.702 4.527 0.000 0.000 0.295 91 F C 0.759 176.313 175.800 -0.410 0.000 1.117 91 F CA -0.502 57.279 58.000 -0.364 0.000 1.361 91 F CB -0.288 38.483 39.000 -0.382 0.000 1.112 91 F HN -0.356 nan 8.300 nan 0.000 0.594 92 F N 0.885 120.623 119.950 -0.354 0.000 2.545 92 F HA 0.307 4.834 4.527 0.000 0.000 0.348 92 F C 0.739 176.310 175.800 -0.382 0.000 1.163 92 F CA -0.467 57.113 58.000 -0.699 0.000 1.331 92 F CB 0.319 38.196 39.000 -1.871 0.000 1.138 92 F HN -0.288 nan 8.300 nan 0.000 0.602 93 S N 2.527 118.379 115.700 0.254 0.000 2.562 93 S HA 0.495 4.965 4.470 0.000 0.000 0.274 93 S C -1.845 173.191 174.600 0.726 0.000 1.160 93 S CA -0.786 57.718 58.200 0.508 0.000 0.933 93 S CB 0.814 64.220 63.200 0.343 0.000 1.100 93 S HN 0.566 nan 8.310 nan 0.000 0.468 94 L N 4.911 126.548 121.223 0.690 0.000 2.255 94 L HA 0.606 4.946 4.340 0.000 0.000 0.289 94 L C -0.249 176.817 176.870 0.326 0.000 1.046 94 L CA 0.294 55.347 54.840 0.355 0.000 0.816 94 L CB 0.644 42.864 42.059 0.270 0.000 1.197 94 L HN 0.666 nan 8.230 nan 0.000 0.427 95 E N 6.725 127.007 120.200 0.136 0.000 2.214 95 E HA 0.466 4.816 4.350 0.000 0.000 0.274 95 E C -2.473 173.971 176.600 -0.260 0.000 0.977 95 E CA -1.862 54.535 56.400 -0.005 0.000 0.827 95 E CB 0.989 30.717 29.700 0.047 0.000 1.130 95 E HN 0.451 nan 8.360 nan 0.000 0.394 96 P HA 0.165 nan 4.420 nan 0.000 0.273 96 P C -2.521 174.542 177.300 -0.396 0.000 1.250 96 P CA -1.296 61.135 63.100 -1.115 0.000 0.793 96 P CB -0.611 30.152 31.700 -1.561 0.000 1.011 97 P HA 0.019 nan 4.420 nan 0.000 0.269 97 P C -0.173 177.164 177.300 0.061 0.000 1.211 97 P CA 0.386 63.468 63.100 -0.029 0.000 0.781 97 P CB 0.003 31.721 31.700 0.030 0.000 0.877 98 A N 4.052 127.004 122.820 0.219 0.000 2.366 98 A HA 0.302 4.623 4.320 0.000 0.000 0.249 98 A C -1.253 176.393 177.584 0.103 0.000 1.084 98 A CA -0.937 51.182 52.037 0.138 0.000 0.794 98 A CB -1.072 18.007 19.000 0.131 0.000 1.034 98 A HN 0.412 nan 8.150 nan 0.000 0.491 99 P HA -0.199 nan 4.420 nan 0.000 0.217 99 P C 0.715 177.987 177.300 -0.047 0.000 1.151 99 P CA 1.758 64.847 63.100 -0.019 0.000 0.849 99 P CB 0.091 31.767 31.700 -0.041 0.000 0.787 100 E N -1.977 118.151 120.200 -0.120 0.000 2.333 100 E HA -0.163 4.187 4.350 0.000 0.000 0.198 100 E C 1.380 177.825 176.600 -0.259 0.000 1.007 100 E CA 0.919 57.184 56.400 -0.224 0.000 0.845 100 E CB -0.924 28.580 29.700 -0.326 0.000 0.766 100 E HN 0.502 nan 8.360 nan 0.000 0.507 101 Y N -0.066 120.229 120.300 -0.007 0.000 2.529 101 Y HA 0.121 4.672 4.550 0.000 0.000 0.290 101 Y C 1.862 177.753 175.900 -0.015 0.000 1.177 101 Y CA -0.024 58.081 58.100 0.007 0.000 1.305 101 Y CB -0.151 38.329 38.460 0.033 0.000 1.047 101 Y HN 0.098 nan 8.280 nan 0.000 0.522 102 G N 1.244 110.074 108.800 0.050 0.000 2.698 102 G HA2 -0.379 3.582 3.960 0.000 0.000 0.337 102 G HA3 -0.379 3.582 3.960 0.000 0.000 0.337 102 G C 0.674 175.481 174.900 -0.155 0.000 1.286 102 G CA 1.008 46.070 45.100 -0.063 0.000 1.000 102 G HN 0.323 nan 8.290 nan 0.000 0.547 103 L N 1.861 122.936 121.223 -0.247 0.000 2.700 103 L HA 0.343 4.683 4.340 0.000 0.000 0.234 103 L C 1.718 178.554 176.870 -0.057 0.000 1.156 103 L CA 0.500 55.045 54.840 -0.492 0.000 0.946 103 L CB 0.096 41.793 42.059 -0.602 0.000 1.216 103 L HN 0.636 nan 8.230 nan 0.000 0.493 104 S N -1.039 114.698 115.700 0.060 0.000 2.603 104 S HA 0.206 4.676 4.470 0.000 0.000 0.268 104 S C 0.308 174.931 174.600 0.038 0.000 1.317 104 S CA -0.271 58.007 58.200 0.130 0.000 1.012 104 S CB 0.607 63.910 63.200 0.172 0.000 0.926 104 S HN 0.155 nan 8.310 nan 0.000 0.539 105 F N 0.642 120.687 119.950 0.159 0.000 2.660 105 F HA 0.398 4.925 4.527 0.000 0.000 0.302 105 F C 2.120 177.917 175.800 -0.006 0.000 1.103 105 F CA -0.015 58.022 58.000 0.061 0.000 1.340 105 F CB -0.694 38.320 39.000 0.024 0.000 1.048 105 F HN 0.777 nan 8.300 nan 0.000 0.551 106 A N 0.872 123.774 122.820 0.137 0.000 1.877 106 A HA 0.103 4.423 4.320 0.000 0.000 0.216 106 A C 1.824 179.345 177.584 -0.105 0.000 1.186 106 A CA 0.778 52.856 52.037 0.067 0.000 0.620 106 A CB -1.128 17.964 19.000 0.152 0.000 0.822 106 A HN 0.237 nan 8.150 nan 0.000 0.443 107 A N 0.916 123.495 122.820 -0.401 0.000 2.602 107 A HA 0.278 4.598 4.320 0.000 0.000 0.257 107 A C -2.028 175.334 177.584 -0.369 0.000 0.973 107 A CA -0.243 51.275 52.037 -0.864 0.000 0.862 107 A CB -0.812 17.659 19.000 -0.882 0.000 0.855 107 A HN 0.362 nan 8.150 nan 0.000 0.492 108 P HA 0.005 nan 4.420 nan 0.000 0.269 108 P C 1.521 178.779 177.300 -0.070 0.000 1.209 108 P CA -0.610 62.440 63.100 -0.084 0.000 0.776 108 P CB 0.431 32.132 31.700 0.003 0.000 0.876 109 L N 2.223 123.429 121.223 -0.028 0.000 1.997 109 L HA -0.279 4.062 4.340 0.000 0.000 0.227 109 L C 1.754 178.602 176.870 -0.037 0.000 1.087 109 L CA 2.289 57.115 54.840 -0.023 0.000 0.797 109 L CB -0.688 41.379 42.059 0.013 0.000 0.902 109 L HN 0.542 nan 8.230 nan 0.000 0.441 110 K N -0.834 119.598 120.400 0.054 0.000 2.525 110 K HA -0.074 4.246 4.320 0.000 0.000 0.192 110 K C 0.907 177.561 176.600 0.090 0.000 1.029 110 K CA 0.382 56.772 56.287 0.172 0.000 1.029 110 K CB 0.126 32.830 32.500 0.341 0.000 0.814 110 K HN 0.374 nan 8.250 nan 0.000 0.503 111 E N -0.979 119.225 120.200 0.005 0.000 2.812 111 E HA 0.096 4.446 4.350 0.000 0.000 0.211 111 E C 0.282 176.841 176.600 -0.069 0.000 0.986 111 E CA -0.111 56.304 56.400 0.024 0.000 1.119 111 E CB 1.247 31.002 29.700 0.091 0.000 1.046 111 E HN 0.387 nan 8.360 nan 0.000 0.474 112 G N -0.478 108.248 108.800 -0.123 0.000 3.110 112 G HA2 -0.198 3.762 3.960 0.000 0.000 0.205 112 G HA3 -0.198 3.762 3.960 0.000 0.000 0.205 112 G C 1.091 175.964 174.900 -0.046 0.000 1.019 112 G CA -0.095 44.943 45.100 -0.104 0.000 0.826 112 G HN 0.334 nan 8.290 nan 0.000 0.481 113 G N 0.811 109.554 108.800 -0.096 0.000 2.408 113 G HA2 0.119 4.079 3.960 0.000 0.000 0.217 113 G HA3 0.119 4.079 3.960 0.000 0.000 0.217 113 G C 1.693 176.571 174.900 -0.037 0.000 1.150 113 G CA 1.526 46.591 45.100 -0.058 0.000 0.776 113 G HN 0.509 nan 8.290 nan 0.000 0.542 114 L N -0.521 120.658 121.223 -0.074 0.000 2.093 114 L HA 0.125 4.466 4.340 0.000 0.000 0.208 114 L C 2.326 179.176 176.870 -0.034 0.000 1.085 114 L CA 1.053 55.843 54.840 -0.083 0.000 0.755 114 L CB -0.859 41.090 42.059 -0.183 0.000 0.904 114 L HN 0.521 nan 8.230 nan 0.000 0.435 115 W N -0.267 120.935 121.300 -0.165 0.000 2.338 115 W HA -0.234 4.426 4.660 0.000 0.000 0.304 115 W C 2.197 178.727 176.519 0.017 0.000 1.212 115 W CA 1.677 59.014 57.345 -0.013 0.000 1.264 115 W CB -0.135 29.305 29.460 -0.033 0.000 1.142 115 W HN 0.099 nan 8.180 nan 0.000 0.512 116 L N 0.117 121.398 121.223 0.097 0.000 2.056 116 L HA -0.226 4.114 4.340 0.000 0.000 0.207 116 L C 2.456 179.219 176.870 -0.179 0.000 1.078 116 L CA 1.414 56.180 54.840 -0.122 0.000 0.749 116 L CB -0.804 41.234 42.059 -0.034 0.000 0.901 116 L HN 0.016 nan 8.230 nan 0.000 0.433 117 I N -0.275 120.208 120.570 -0.146 0.000 2.179 117 I HA -0.298 3.872 4.170 0.000 0.000 0.242 117 I C 2.791 178.762 176.117 -0.245 0.000 1.088 117 I CA 1.214 62.371 61.300 -0.239 0.000 1.357 117 I CB -0.470 37.424 38.000 -0.177 0.000 1.051 117 I HN 0.210 nan 8.210 nan 0.000 0.409 118 A N 0.114 122.855 122.820 -0.132 0.000 1.902 118 A HA -0.204 4.116 4.320 0.000 0.000 0.217 118 A C 2.481 180.067 177.584 0.003 0.000 1.181 118 A CA 2.215 54.234 52.037 -0.029 0.000 0.623 118 A CB -0.786 18.040 19.000 -0.289 0.000 0.818 118 A HN 0.388 nan 8.150 nan 0.000 0.443 119 S N -1.121 114.417 115.700 -0.270 0.000 2.383 119 S HA -0.159 4.311 4.470 0.000 0.000 0.229 119 S C 1.639 176.197 174.600 -0.070 0.000 1.030 119 S CA 1.508 59.547 58.200 -0.268 0.000 1.002 119 S CB -0.533 62.210 63.200 -0.761 0.000 0.829 119 S HN 0.624 nan 8.310 nan 0.000 0.467 120 F N 1.668 121.483 119.950 -0.224 0.000 2.102 120 F HA -0.125 4.402 4.527 0.000 0.000 0.298 120 F C 1.668 177.457 175.800 -0.019 0.000 1.105 120 F CA 1.376 59.266 58.000 -0.184 0.000 1.239 120 F CB -0.367 38.416 39.000 -0.362 0.000 0.991 120 F HN 0.115 nan 8.300 nan 0.000 0.474 121 F N -0.242 119.791 119.950 0.138 0.000 2.293 121 F HA -0.167 4.360 4.527 0.000 0.000 0.300 121 F C 2.510 178.268 175.800 -0.070 0.000 1.086 121 F CA 1.137 59.168 58.000 0.051 0.000 1.375 121 F CB -1.024 38.058 39.000 0.137 0.000 1.045 121 F HN 0.072 nan 8.300 nan 0.000 0.516 122 M N -1.535 118.085 119.600 0.033 0.000 2.123 122 M HA -0.184 4.296 4.480 0.000 0.000 0.263 122 M C 2.327 178.641 176.300 0.024 0.000 1.069 122 M CA 1.510 56.656 55.300 -0.258 0.000 1.133 122 M CB -0.466 31.826 32.600 -0.513 0.000 1.356 122 M HN 0.177 nan 8.290 nan 0.000 0.415 123 F N 0.229 120.188 119.950 0.014 0.000 2.120 123 F HA -0.260 4.267 4.527 0.000 0.000 0.300 123 F C 2.207 178.078 175.800 0.119 0.000 1.095 123 F CA 2.069 60.163 58.000 0.157 0.000 1.249 123 F CB -0.289 38.671 39.000 -0.068 0.000 0.995 123 F HN 0.081 nan 8.300 nan 0.000 0.480 124 V N -0.067 119.933 119.914 0.144 0.000 2.591 124 V HA 0.004 4.125 4.120 0.000 0.000 0.249 124 V C 2.196 178.347 176.094 0.094 0.000 1.053 124 V CA 1.526 63.887 62.300 0.102 0.000 1.068 124 V CB -0.867 30.940 31.823 -0.027 0.000 0.689 124 V HN 0.337 nan 8.190 nan 0.000 0.462 125 A N 0.111 122.948 122.820 0.028 0.000 1.902 125 A HA -0.086 4.234 4.320 0.000 0.000 0.217 125 A C 2.349 179.920 177.584 -0.021 0.000 1.181 125 A CA 2.379 54.414 52.037 -0.002 0.000 0.623 125 A CB -0.812 18.118 19.000 -0.117 0.000 0.818 125 A HN 0.504 nan 8.150 nan 0.000 0.443 126 V N -2.409 117.378 119.914 -0.210 0.000 2.273 126 V HA -0.227 3.893 4.120 0.000 0.000 0.242 126 V C 2.239 178.209 176.094 -0.206 0.000 1.035 126 V CA 1.589 63.642 62.300 -0.410 0.000 1.013 126 V CB -1.042 30.072 31.823 -1.182 0.000 0.652 126 V HN 0.795 nan 8.190 nan 0.000 0.452 127 W N 0.960 122.130 121.300 -0.216 0.000 2.342 127 W HA -0.223 4.437 4.660 0.000 0.000 0.297 127 W C 2.924 179.515 176.519 0.121 0.000 1.213 127 W CA 1.641 58.915 57.345 -0.117 0.000 1.251 127 W CB -0.418 28.871 29.460 -0.285 0.000 1.136 127 W HN 0.391 nan 8.180 nan 0.000 0.526 128 S N -1.262 114.631 115.700 0.322 0.000 2.406 128 S HA -0.213 4.257 4.470 0.000 0.000 0.228 128 S C 1.663 176.423 174.600 0.268 0.000 1.020 128 S CA 0.725 59.088 58.200 0.271 0.000 0.965 128 S CB -1.169 62.157 63.200 0.210 0.000 0.798 128 S HN 0.481 nan 8.310 nan 0.000 0.488 129 W N 0.948 122.326 121.300 0.130 0.000 2.374 129 W HA -0.092 4.568 4.660 0.000 0.000 0.288 129 W C 1.852 178.537 176.519 0.275 0.000 1.218 129 W CA 1.004 58.430 57.345 0.135 0.000 1.245 129 W CB -0.427 29.076 29.460 0.072 0.000 1.126 129 W HN 0.525 nan 8.180 nan 0.000 0.545 130 W N 1.417 122.911 121.300 0.322 0.000 2.378 130 W HA -0.071 4.590 4.660 0.000 0.000 0.313 130 W C 2.531 179.152 176.519 0.169 0.000 1.197 130 W CA 3.308 60.828 57.345 0.291 0.000 1.304 130 W CB -0.955 28.513 29.460 0.014 0.000 1.148 130 W HN -0.119 nan 8.180 nan 0.000 0.494 131 G N 0.608 109.524 108.800 0.193 0.000 2.503 131 G HA2 -0.386 3.575 3.960 0.000 0.000 0.221 131 G HA3 -0.386 3.575 3.960 0.000 0.000 0.221 131 G C 1.637 176.418 174.900 -0.198 0.000 1.131 131 G CA 1.285 46.332 45.100 -0.088 0.000 0.756 131 G HN 0.351 nan 8.290 nan 0.000 0.572 132 R N 0.246 120.626 120.500 -0.200 0.000 2.073 132 R HA -0.120 4.221 4.340 0.000 0.000 0.234 132 R C 3.004 179.071 176.300 -0.388 0.000 1.134 132 R CA 2.151 58.044 56.100 -0.345 0.000 0.952 132 R CB -0.620 29.315 30.300 -0.608 0.000 0.850 132 R HN 0.508 nan 8.270 nan 0.000 0.433 133 T N -1.773 112.546 114.554 -0.392 0.000 2.788 133 T HA -0.214 4.136 4.350 0.000 0.000 0.268 133 T C 1.774 176.303 174.700 -0.285 0.000 1.044 133 T CA 1.259 63.170 62.100 -0.315 0.000 1.139 133 T CB -0.616 68.138 68.868 -0.191 0.000 0.867 133 T HN 0.344 nan 8.240 nan 0.000 0.454 134 Y N 2.366 122.364 120.300 -0.504 0.000 2.084 134 Y HA 0.089 4.639 4.550 0.000 0.000 0.279 134 Y C 2.265 177.980 175.900 -0.309 0.000 1.119 134 Y CA 1.063 58.895 58.100 -0.447 0.000 1.101 134 Y CB -0.696 37.376 38.460 -0.647 0.000 0.989 134 Y HN 0.115 nan 8.280 nan 0.000 0.484 135 L N -0.048 121.210 121.223 0.060 0.000 2.081 135 L HA -0.298 4.042 4.340 0.000 0.000 0.212 135 L C 2.506 179.278 176.870 -0.164 0.000 1.080 135 L CA 1.396 56.225 54.840 -0.018 0.000 0.754 135 L CB -0.635 41.388 42.059 -0.060 0.000 0.893 135 L HN 0.199 nan 8.230 nan 0.000 0.433 136 R N 0.045 120.402 120.500 -0.238 0.000 2.115 136 R HA -0.012 4.329 4.340 0.000 0.000 0.226 136 R C 2.295 178.448 176.300 -0.246 0.000 1.100 136 R CA 1.281 57.202 56.100 -0.298 0.000 0.980 136 R CB -0.709 29.403 30.300 -0.313 0.000 0.875 136 R HN 0.396 nan 8.270 nan 0.000 0.445 137 A N 1.015 123.693 122.820 -0.236 0.000 1.872 137 A HA -0.175 4.145 4.320 0.000 0.000 0.214 137 A C 2.207 179.660 177.584 -0.217 0.000 1.187 137 A CA 1.147 53.048 52.037 -0.227 0.000 0.614 137 A CB -0.494 18.343 19.000 -0.271 0.000 0.826 137 A HN 0.316 nan 8.150 nan 0.000 0.442 138 Q N -0.372 119.287 119.800 -0.235 0.000 2.062 138 Q HA -0.249 4.091 4.340 0.000 0.000 0.209 138 Q C 2.161 178.088 176.000 -0.121 0.000 0.996 138 Q CA 2.163 57.872 55.803 -0.157 0.000 0.859 138 Q CB -0.400 28.308 28.738 -0.049 0.000 0.920 138 Q HN 0.603 nan 8.270 nan 0.000 0.415 139 A N 0.051 122.788 122.820 -0.138 0.000 2.076 139 A HA -0.130 4.190 4.320 0.000 0.000 0.220 139 A C 1.724 179.233 177.584 -0.124 0.000 1.160 139 A CA 1.152 53.107 52.037 -0.137 0.000 0.653 139 A CB -0.286 18.590 19.000 -0.207 0.000 0.801 139 A HN 0.465 nan 8.150 nan 0.000 0.455 140 L N -1.599 119.544 121.223 -0.133 0.000 2.728 140 L HA 0.278 4.618 4.340 0.000 0.000 0.238 140 L C 1.426 178.241 176.870 -0.093 0.000 1.143 140 L CA 0.390 55.164 54.840 -0.110 0.000 0.937 140 L CB 0.203 42.191 42.059 -0.119 0.000 1.225 140 L HN 0.499 nan 8.230 nan 0.000 0.507 141 G N 0.853 109.596 108.800 -0.096 0.000 2.249 141 G HA2 -0.314 3.646 3.960 0.000 0.000 0.273 141 G HA3 -0.314 3.646 3.960 0.000 0.000 0.273 141 G C 0.122 174.969 174.900 -0.089 0.000 1.036 141 G CA 0.375 45.425 45.100 -0.084 0.000 0.824 141 G HN 0.284 nan 8.290 nan 0.000 0.504 142 M N -0.085 119.448 119.600 -0.111 0.000 2.573 142 M HA 0.580 5.060 4.480 0.000 0.000 0.309 142 M C 1.334 177.565 176.300 -0.116 0.000 1.202 142 M CA -0.068 55.174 55.300 -0.096 0.000 0.975 142 M CB 1.248 33.792 32.600 -0.094 0.000 1.600 142 M HN 0.223 nan 8.290 nan 0.000 0.479 143 G N 0.581 109.351 108.800 -0.050 0.000 2.699 143 G HA2 0.128 4.088 3.960 0.000 0.000 0.246 143 G HA3 0.128 4.088 3.960 0.000 0.000 0.246 143 G C 0.124 174.918 174.900 -0.178 0.000 1.219 143 G CA -0.465 44.585 45.100 -0.084 0.000 0.866 143 G HN 0.580 nan 8.290 nan 0.000 0.572 144 K N -0.191 119.988 120.400 -0.367 0.000 2.577 144 K HA 0.153 4.473 4.320 0.000 0.000 0.210 144 K C 1.237 177.727 176.600 -0.183 0.000 1.048 144 K CA -0.168 55.899 56.287 -0.366 0.000 1.188 144 K CB -0.156 32.069 32.500 -0.458 0.000 0.910 144 K HN 0.626 nan 8.250 nan 0.000 0.483 145 H N -0.382 118.652 119.070 -0.061 0.000 2.389 145 H HA -0.056 4.500 4.556 0.000 0.000 0.299 145 H C 1.599 177.022 175.328 0.159 0.000 1.081 145 H CA 2.042 58.114 56.048 0.039 0.000 1.345 145 H CB 0.220 29.955 29.762 -0.045 0.000 1.393 145 H HN 0.081 nan 8.280 nan 0.000 0.520 146 T N 0.117 114.772 114.554 0.169 0.000 2.708 146 T HA -0.148 4.202 4.350 0.000 0.000 0.266 146 T C 2.362 177.166 174.700 0.174 0.000 1.037 146 T CA 1.201 63.372 62.100 0.119 0.000 1.146 146 T CB -0.469 68.407 68.868 0.013 0.000 0.865 146 T HN 0.498 nan 8.240 nan 0.000 0.435 147 A N 0.187 123.075 122.820 0.113 0.000 1.969 147 A HA -0.078 4.243 4.320 0.000 0.000 0.218 147 A C 2.035 179.907 177.584 0.480 0.000 1.169 147 A CA 1.365 53.503 52.037 0.170 0.000 0.635 147 A CB -1.019 17.883 19.000 -0.162 0.000 0.810 147 A HN 0.718 nan 8.150 nan 0.000 0.445 148 W N 0.643 122.042 121.300 0.165 0.000 2.379 148 W HA -0.080 4.580 4.660 0.000 0.000 0.307 148 W C 2.419 178.992 176.519 0.089 0.000 1.200 148 W CA 2.172 59.592 57.345 0.125 0.000 1.297 148 W CB -0.256 29.189 29.460 -0.027 0.000 1.140 148 W HN 0.321 nan 8.180 nan 0.000 0.507 149 A N -0.005 122.870 122.820 0.091 0.000 1.877 149 A HA -0.222 4.098 4.320 0.000 0.000 0.216 149 A C 1.978 179.561 177.584 -0.002 0.000 1.186 149 A CA 1.563 53.522 52.037 -0.131 0.000 0.620 149 A CB -1.594 17.445 19.000 0.064 0.000 0.822 149 A HN 0.445 nan 8.150 nan 0.000 0.443 150 F N 0.225 120.170 119.950 -0.007 0.000 2.192 150 F HA -0.170 4.358 4.527 0.000 0.000 0.301 150 F C 1.790 177.564 175.800 -0.043 0.000 1.079 150 F CA 1.299 59.317 58.000 0.029 0.000 1.303 150 F CB -0.686 38.423 39.000 0.182 0.000 1.024 150 F HN 0.183 nan 8.300 nan 0.000 0.494 151 L N -0.616 120.586 121.223 -0.034 0.000 2.191 151 L HA -0.169 4.171 4.340 0.000 0.000 0.212 151 L C 2.697 179.417 176.870 -0.250 0.000 1.103 151 L CA 1.795 56.463 54.840 -0.287 0.000 0.769 151 L CB -1.194 40.738 42.059 -0.211 0.000 0.908 151 L HN 0.179 nan 8.230 nan 0.000 0.438 152 S N -1.374 114.181 115.700 -0.240 0.000 2.355 152 S HA -0.117 4.353 4.470 0.000 0.000 0.222 152 S C 2.149 176.758 174.600 0.014 0.000 1.031 152 S CA 1.046 59.161 58.200 -0.142 0.000 0.993 152 S CB -0.218 62.835 63.200 -0.245 0.000 0.859 152 S HN 0.572 nan 8.310 nan 0.000 0.453 153 A N 1.482 124.294 122.820 -0.013 0.000 1.877 153 A HA -0.048 4.272 4.320 0.000 0.000 0.216 153 A C 2.063 179.613 177.584 -0.056 0.000 1.186 153 A CA 1.608 53.653 52.037 0.013 0.000 0.620 153 A CB -0.925 18.126 19.000 0.084 0.000 0.822 153 A HN 0.585 nan 8.150 nan 0.000 0.443 154 I N -1.228 119.180 120.570 -0.270 0.000 2.194 154 I HA -0.334 3.836 4.170 0.000 0.000 0.246 154 I C 2.500 178.622 176.117 0.008 0.000 1.093 154 I CA 1.795 62.876 61.300 -0.364 0.000 1.355 154 I CB -0.326 37.099 38.000 -0.958 0.000 1.046 154 I HN 0.775 nan 8.210 nan 0.000 0.413 155 W N 1.498 122.701 121.300 -0.161 0.000 2.335 155 W HA -0.298 4.362 4.660 0.000 0.000 0.311 155 W C 2.333 178.850 176.519 -0.004 0.000 1.213 155 W CA 1.317 58.619 57.345 -0.071 0.000 1.274 155 W CB -0.292 29.110 29.460 -0.097 0.000 1.148 155 W HN 0.168 nan 8.180 nan 0.000 0.498 156 L N 1.025 122.178 121.223 -0.117 0.000 2.017 156 L HA -0.137 4.203 4.340 0.000 0.000 0.208 156 L C 2.336 179.135 176.870 -0.118 0.000 1.073 156 L CA 2.744 57.447 54.840 -0.228 0.000 0.745 156 L CB -1.766 40.259 42.059 -0.057 0.000 0.894 156 L HN 0.223 nan 8.230 nan 0.000 0.432 157 W N 0.057 121.235 121.300 -0.203 0.000 2.317 157 W HA -0.304 4.356 4.660 0.000 0.000 0.318 157 W C 2.338 178.773 176.519 -0.140 0.000 1.227 157 W CA 2.359 59.597 57.345 -0.178 0.000 1.269 157 W CB -0.355 28.967 29.460 -0.230 0.000 1.155 157 W HN 0.124 nan 8.180 nan 0.000 0.484 158 M N -0.019 119.467 119.600 -0.190 0.000 2.149 158 M HA -0.182 4.298 4.480 0.000 0.000 0.261 158 M C 1.864 178.049 176.300 -0.192 0.000 1.064 158 M CA 1.405 56.527 55.300 -0.297 0.000 1.102 158 M CB -1.568 31.036 32.600 0.006 0.000 1.369 158 M HN 0.031 nan 8.290 nan 0.000 0.408 159 V N 0.102 119.831 119.914 -0.309 0.000 2.407 159 V HA -0.210 3.910 4.120 0.000 0.000 0.245 159 V C 2.434 178.423 176.094 -0.176 0.000 1.041 159 V CA 1.081 63.176 62.300 -0.342 0.000 1.040 159 V CB -0.401 31.020 31.823 -0.671 0.000 0.671 159 V HN 0.368 nan 8.190 nan 0.000 0.455 160 L N 0.153 121.267 121.223 -0.182 0.000 1.994 160 L HA -0.089 4.251 4.340 0.000 0.000 0.208 160 L C 2.462 179.285 176.870 -0.079 0.000 1.071 160 L CA 2.036 56.802 54.840 -0.123 0.000 0.745 160 L CB -0.887 41.070 42.059 -0.170 0.000 0.892 160 L HN 0.469 nan 8.230 nan 0.000 0.431 161 G N -2.353 106.367 108.800 -0.133 0.000 2.662 161 G HA2 -0.140 3.820 3.960 0.000 0.000 0.212 161 G HA3 -0.140 3.820 3.960 0.000 0.000 0.212 161 G C 1.086 176.149 174.900 0.272 0.000 1.141 161 G CA 0.196 45.304 45.100 0.013 0.000 0.797 161 G HN 0.300 nan 8.290 nan 0.000 0.531 162 F N -0.442 119.515 119.950 0.013 0.000 2.212 162 F HA 0.365 4.893 4.527 0.000 0.000 0.262 162 F C 2.112 177.979 175.800 0.112 0.000 0.906 162 F CA -0.113 57.993 58.000 0.176 0.000 1.127 162 F CB 0.027 39.096 39.000 0.116 0.000 1.178 162 F HN -0.040 nan 8.300 nan 0.000 0.779 163 I N 0.909 121.582 120.570 0.171 0.000 2.202 163 I HA -0.211 3.959 4.170 0.000 0.000 0.242 163 I C 2.569 178.646 176.117 -0.067 0.000 1.091 163 I CA 1.472 62.790 61.300 0.030 0.000 1.368 163 I CB -0.494 37.557 38.000 0.086 0.000 1.058 163 I HN 0.112 nan 8.210 nan 0.000 0.410 164 R N 0.704 121.183 120.500 -0.035 0.000 2.070 164 R HA -0.150 4.190 4.340 0.000 0.000 0.233 164 R C -0.338 175.937 176.300 -0.042 0.000 1.137 164 R CA 1.883 57.977 56.100 -0.010 0.000 0.945 164 R CB -1.248 29.090 30.300 0.063 0.000 0.845 164 R HN 0.188 nan 8.270 nan 0.000 0.430 165 P HA -0.203 nan 4.420 nan 0.000 0.215 165 P C 1.234 178.306 177.300 -0.380 0.000 1.163 165 P CA 1.583 64.594 63.100 -0.148 0.000 0.894 165 P CB -0.096 31.594 31.700 -0.017 0.000 0.791 166 I N -1.520 118.753 120.570 -0.495 0.000 2.118 166 I HA -0.268 3.903 4.170 0.000 0.000 0.241 166 I C 2.401 178.334 176.117 -0.306 0.000 1.070 166 I CA 1.538 62.521 61.300 -0.528 0.000 1.327 166 I CB -0.725 36.951 38.000 -0.539 0.000 1.034 166 I HN -0.094 nan 8.210 nan 0.000 0.405 167 L N -0.549 120.556 121.223 -0.197 0.000 2.083 167 L HA -0.229 4.111 4.340 0.000 0.000 0.209 167 L C 2.574 179.376 176.870 -0.113 0.000 1.083 167 L CA 1.052 55.821 54.840 -0.119 0.000 0.752 167 L CB -0.407 41.615 42.059 -0.061 0.000 0.899 167 L HN 0.335 nan 8.230 nan 0.000 0.433 168 M N -0.889 118.641 119.600 -0.116 0.000 2.394 168 M HA 0.009 4.489 4.480 0.000 0.000 0.264 168 M C 1.609 177.829 176.300 -0.133 0.000 1.073 168 M CA 1.283 56.528 55.300 -0.093 0.000 1.111 168 M CB -0.953 31.617 32.600 -0.050 0.000 1.401 168 M HN 0.459 nan 8.290 nan 0.000 0.448 169 G N 1.083 109.760 108.800 -0.206 0.000 2.144 169 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 169 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 169 G C 0.151 174.884 174.900 -0.278 0.000 0.988 169 G CA 0.442 45.406 45.100 -0.226 0.000 0.659 169 G HN 0.741 nan 8.290 nan 0.000 0.522 170 S N -1.943 113.553 115.700 -0.339 0.000 2.560 170 S HA 0.447 4.917 4.470 0.000 0.000 0.283 170 S C 0.330 174.740 174.600 -0.316 0.000 1.141 170 S CA 0.081 58.082 58.200 -0.330 0.000 0.902 170 S CB 0.151 63.259 63.200 -0.153 0.000 1.104 170 S HN 0.561 nan 8.310 nan 0.000 0.454 171 W N 2.217 123.437 121.300 -0.133 0.000 2.538 171 W HA -0.019 4.641 4.660 0.000 0.000 0.254 171 W C 2.545 178.883 176.519 -0.302 0.000 1.249 171 W CA 0.669 57.892 57.345 -0.204 0.000 1.253 171 W CB -0.055 29.265 29.460 -0.233 0.000 1.130 171 W HN 0.936 nan 8.180 nan 0.000 0.618 172 S N -0.206 115.484 115.700 -0.015 0.000 2.507 172 S HA -0.137 4.333 4.470 0.000 0.000 0.235 172 S C 1.441 176.053 174.600 0.021 0.000 0.988 172 S CA 0.914 59.082 58.200 -0.053 0.000 0.944 172 S CB -0.197 62.995 63.200 -0.014 0.000 0.762 172 S HN 0.208 nan 8.310 nan 0.000 0.526 173 E N 1.483 121.721 120.200 0.064 0.000 2.427 173 E HA 0.286 4.636 4.350 0.000 0.000 0.196 173 E C 1.100 177.907 176.600 0.346 0.000 1.028 173 E CA 0.510 57.032 56.400 0.204 0.000 0.864 173 E CB -0.162 29.627 29.700 0.149 0.000 0.813 173 E HN 0.741 nan 8.360 nan 0.000 0.514 174 A N 0.620 123.517 122.820 0.129 0.000 2.250 174 A HA 0.373 4.693 4.320 0.000 0.000 0.283 174 A C 0.191 177.609 177.584 -0.277 0.000 1.206 174 A CA -0.477 51.580 52.037 0.033 0.000 0.840 174 A CB 0.675 19.773 19.000 0.163 0.000 1.220 174 A HN -0.043 nan 8.150 nan 0.000 0.505 175 V N 2.325 121.966 119.914 -0.455 0.000 2.407 175 V HA 0.334 4.455 4.120 0.000 0.000 0.278 175 V C -2.023 173.836 176.094 -0.392 0.000 1.037 175 V CA -1.316 60.483 62.300 -0.835 0.000 0.900 175 V CB 0.998 32.293 31.823 -0.879 0.000 0.983 175 V HN 0.809 nan 8.190 nan 0.000 0.459 176 P HA 0.111 nan 4.420 nan 0.000 0.271 176 P C -1.140 176.125 177.300 -0.059 0.000 1.218 176 P CA -0.138 62.924 63.100 -0.064 0.000 0.780 176 P CB 0.385 32.141 31.700 0.093 0.000 0.901 177 Y N 1.199 121.700 120.300 0.335 0.000 2.627 177 Y HA 0.539 5.089 4.550 0.000 0.000 0.347 177 Y C 1.403 177.491 175.900 0.313 0.000 1.099 177 Y CA 0.231 58.474 58.100 0.237 0.000 1.408 177 Y CB 0.252 38.779 38.460 0.111 0.000 1.247 177 Y HN 0.525 nan 8.280 nan 0.000 0.506 178 G N 1.523 110.549 108.800 0.377 0.000 2.616 178 G HA2 0.285 4.246 3.960 0.000 0.000 0.294 178 G HA3 0.285 4.246 3.960 0.000 0.000 0.294 178 G C -0.113 174.952 174.900 0.275 0.000 1.489 178 G CA -0.783 44.560 45.100 0.406 0.000 0.836 178 G HN 0.220 nan 8.290 nan 0.000 0.527 179 I N 0.825 121.492 120.570 0.161 0.000 2.072 179 I HA -0.032 4.138 4.170 0.000 0.000 0.235 179 I C 2.561 178.819 176.117 0.235 0.000 1.058 179 I CA 1.396 62.725 61.300 0.048 0.000 1.320 179 I CB -1.058 36.689 38.000 -0.422 0.000 1.047 179 I HN 0.461 nan 8.210 nan 0.000 0.397 180 F N 1.693 121.623 119.950 -0.033 0.000 2.293 180 F HA -0.105 4.422 4.527 0.000 0.000 0.300 180 F C 2.914 178.727 175.800 0.020 0.000 1.086 180 F CA 1.080 59.029 58.000 -0.085 0.000 1.375 180 F CB -1.563 37.277 39.000 -0.267 0.000 1.045 180 F HN 0.206 nan 8.300 nan 0.000 0.516 181 S N -0.595 115.280 115.700 0.291 0.000 2.428 181 S HA -0.187 4.283 4.470 0.000 0.000 0.230 181 S C 2.070 176.851 174.600 0.301 0.000 1.014 181 S CA 1.121 59.479 58.200 0.264 0.000 0.957 181 S CB -1.085 62.269 63.200 0.257 0.000 0.784 181 S HN 0.622 nan 8.310 nan 0.000 0.499 182 H N 2.588 121.775 119.070 0.196 0.000 2.395 182 H HA 0.120 4.676 4.556 0.000 0.000 0.299 182 H C 1.906 177.381 175.328 0.245 0.000 1.070 182 H CA 1.275 57.437 56.048 0.190 0.000 1.356 182 H CB -0.656 29.174 29.762 0.113 0.000 1.401 182 H HN 0.435 nan 8.280 nan 0.000 0.524 183 L N 0.958 122.084 121.223 -0.162 0.000 2.012 183 L HA -0.179 4.162 4.340 0.000 0.000 0.210 183 L C 2.374 179.261 176.870 0.028 0.000 1.073 183 L CA 1.608 56.373 54.840 -0.124 0.000 0.748 183 L CB -0.504 41.499 42.059 -0.094 0.000 0.891 183 L HN 0.171 nan 8.230 nan 0.000 0.431 184 D N -0.716 119.738 120.400 0.089 0.000 2.144 184 D HA -0.228 4.412 4.640 0.000 0.000 0.199 184 D C 1.778 178.162 176.300 0.141 0.000 0.984 184 D CA 1.114 55.167 54.000 0.089 0.000 0.834 184 D CB -0.298 40.560 40.800 0.098 0.000 0.955 184 D HN 0.441 nan 8.370 nan 0.000 0.465 185 W N 1.766 123.097 121.300 0.051 0.000 2.338 185 W HA -0.223 4.437 4.660 0.000 0.000 0.304 185 W C 2.219 178.798 176.519 0.101 0.000 1.212 185 W CA 2.145 59.543 57.345 0.088 0.000 1.264 185 W CB -0.370 29.154 29.460 0.107 0.000 1.142 185 W HN -0.152 nan 8.180 nan 0.000 0.512 186 T N 0.423 115.164 114.554 0.311 0.000 2.674 186 T HA -0.299 4.052 4.350 0.000 0.000 0.265 186 T C 1.751 176.440 174.700 -0.019 0.000 1.039 186 T CA 1.637 63.828 62.100 0.152 0.000 1.150 186 T CB -0.826 68.117 68.868 0.124 0.000 0.864 186 T HN 0.356 nan 8.240 nan 0.000 0.427 187 N N 1.281 119.968 118.700 -0.021 0.000 2.120 187 N HA -0.159 4.581 4.740 0.000 0.000 0.188 187 N C 1.495 176.955 175.510 -0.083 0.000 1.024 187 N CA 1.288 54.303 53.050 -0.058 0.000 0.852 187 N CB -0.225 38.231 38.487 -0.053 0.000 1.003 187 N HN 0.265 nan 8.380 nan 0.000 0.424 188 N N 0.674 119.312 118.700 -0.103 0.000 2.142 188 N HA -0.137 4.603 4.740 0.000 0.000 0.186 188 N C 1.578 176.966 175.510 -0.202 0.000 1.023 188 N CA 0.567 53.528 53.050 -0.149 0.000 0.852 188 N CB -0.977 37.420 38.487 -0.151 0.000 0.998 188 N HN 0.273 nan 8.380 nan 0.000 0.424 189 F N 1.659 121.336 119.950 -0.454 0.000 2.087 189 F HA -0.262 4.265 4.527 0.000 0.000 0.299 189 F C 2.729 178.486 175.800 -0.072 0.000 1.100 189 F CA 1.672 59.433 58.000 -0.398 0.000 1.226 189 F CB -0.482 38.048 39.000 -0.784 0.000 0.983 189 F HN 0.008 nan 8.300 nan 0.000 0.479 190 S N -0.136 115.622 115.700 0.096 0.000 2.345 190 S HA -0.152 4.318 4.470 0.000 0.000 0.220 190 S C 2.054 176.646 174.600 -0.014 0.000 1.031 190 S CA 1.254 59.482 58.200 0.046 0.000 0.996 190 S CB -0.652 62.486 63.200 -0.103 0.000 0.882 190 S HN 0.255 nan 8.310 nan 0.000 0.445 191 L N 1.802 122.979 121.223 -0.077 0.000 1.990 191 L HA -0.056 4.284 4.340 0.000 0.000 0.213 191 L C 2.577 179.370 176.870 -0.128 0.000 1.072 191 L CA 1.550 56.335 54.840 -0.092 0.000 0.755 191 L CB -1.364 40.633 42.059 -0.103 0.000 0.889 191 L HN 0.242 nan 8.230 nan 0.000 0.432 192 V N -0.952 118.825 119.914 -0.228 0.000 2.913 192 V HA -0.226 3.895 4.120 0.000 0.000 0.260 192 V C 1.776 177.575 176.094 -0.491 0.000 1.098 192 V CA 1.207 63.277 62.300 -0.384 0.000 1.121 192 V CB -0.731 30.784 31.823 -0.514 0.000 0.714 192 V HN 0.531 nan 8.190 nan 0.000 0.487 193 H N -0.857 118.099 119.070 -0.190 0.000 2.542 193 H HA 0.327 4.884 4.556 0.000 0.000 0.283 193 H C 1.715 177.092 175.328 0.081 0.000 1.059 193 H CA 0.770 56.754 56.048 -0.106 0.000 1.162 193 H CB 0.669 30.370 29.762 -0.102 0.000 1.539 193 H HN 0.446 nan 8.280 nan 0.000 0.543 194 G N 2.007 110.888 108.800 0.135 0.000 2.132 194 G HA2 -0.297 3.663 3.960 0.000 0.000 0.234 194 G HA3 -0.297 3.663 3.960 0.000 0.000 0.234 194 G C -0.210 174.887 174.900 0.329 0.000 0.989 194 G CA 0.134 45.353 45.100 0.198 0.000 0.676 194 G HN 0.543 nan 8.290 nan 0.000 0.522 195 N N -1.621 117.216 118.700 0.229 0.000 3.925 195 N HA -0.134 4.607 4.740 0.000 0.000 0.278 195 N C 0.870 176.475 175.510 0.158 0.000 2.104 195 N CA 0.817 53.952 53.050 0.142 0.000 2.544 195 N CB -1.136 37.476 38.487 0.209 0.000 0.490 195 N HN 0.459 nan 8.380 nan 0.000 0.551 196 L N 2.864 124.023 121.223 -0.107 0.000 2.275 196 L HA -0.077 4.263 4.340 0.000 0.000 0.215 196 L C 1.611 178.392 176.870 -0.148 0.000 1.119 196 L CA 0.736 55.431 54.840 -0.241 0.000 0.790 196 L CB -0.355 41.345 42.059 -0.598 0.000 0.919 196 L HN 0.486 nan 8.230 nan 0.000 0.443 197 F N -0.833 119.002 119.950 -0.192 0.000 2.449 197 F HA -0.218 4.310 4.527 0.000 0.000 0.299 197 F C 1.709 177.348 175.800 -0.269 0.000 1.092 197 F CA 0.769 58.652 58.000 -0.195 0.000 1.446 197 F CB -0.932 37.880 39.000 -0.312 0.000 1.084 197 F HN 0.135 nan 8.300 nan 0.000 0.567 198 Y N -1.257 119.222 120.300 0.298 0.000 2.457 198 Y HA 0.116 4.666 4.550 0.000 0.000 0.263 198 Y C 0.816 176.825 175.900 0.182 0.000 1.164 198 Y CA -0.569 57.715 58.100 0.305 0.000 1.274 198 Y CB -0.640 38.079 38.460 0.432 0.000 1.097 198 Y HN -0.044 nan 8.280 nan 0.000 0.523 199 N N 2.555 121.200 118.700 -0.092 0.000 2.406 199 N HA 0.072 4.812 4.740 0.000 0.000 0.251 199 N C -1.869 173.439 175.510 -0.337 0.000 1.069 199 N CA -1.693 50.886 53.050 -0.785 0.000 0.947 199 N CB 1.135 38.774 38.487 -1.413 0.000 1.111 199 N HN -0.128 nan 8.380 nan 0.000 0.497 200 P HA -0.162 nan 4.420 nan 0.000 0.216 200 P C 0.667 177.806 177.300 -0.268 0.000 1.150 200 P CA 1.321 64.316 63.100 -0.176 0.000 0.837 200 P CB -0.007 31.602 31.700 -0.151 0.000 0.786 201 F N -1.051 118.790 119.950 -0.182 0.000 2.293 201 F HA -0.138 4.389 4.527 0.000 0.000 0.300 201 F C 2.839 178.607 175.800 -0.052 0.000 1.086 201 F CA 1.145 59.097 58.000 -0.080 0.000 1.375 201 F CB -1.339 37.621 39.000 -0.066 0.000 1.045 201 F HN 0.106 nan 8.300 nan 0.000 0.516 202 H N 0.172 119.213 119.070 -0.048 0.000 2.387 202 H HA -0.102 4.455 4.556 0.000 0.000 0.299 202 H C 2.393 177.702 175.328 -0.032 0.000 1.090 202 H CA 1.423 57.448 56.048 -0.038 0.000 1.332 202 H CB -0.395 29.324 29.762 -0.072 0.000 1.386 202 H HN 0.343 nan 8.280 nan 0.000 0.516 203 G N 0.990 109.758 108.800 -0.053 0.000 2.421 203 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 203 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 203 G C 1.998 176.781 174.900 -0.196 0.000 1.171 203 G CA 0.729 45.748 45.100 -0.135 0.000 0.775 203 G HN 0.333 nan 8.290 nan 0.000 0.543 204 L N 0.478 121.626 121.223 -0.126 0.000 2.046 204 L HA -0.066 4.274 4.340 0.000 0.000 0.208 204 L C 3.104 179.949 176.870 -0.042 0.000 1.077 204 L CA 1.259 56.026 54.840 -0.121 0.000 0.747 204 L CB -0.454 41.661 42.059 0.094 0.000 0.896 204 L HN 0.318 nan 8.230 nan 0.000 0.432 205 S N 0.121 115.862 115.700 0.069 0.000 2.370 205 S HA -0.190 4.281 4.470 0.000 0.000 0.226 205 S C 1.978 176.522 174.600 -0.093 0.000 1.033 205 S CA 1.367 59.627 58.200 0.100 0.000 1.011 205 S CB -0.258 62.964 63.200 0.035 0.000 0.852 205 S HN 0.294 nan 8.310 nan 0.000 0.457 206 I N 1.336 121.711 120.570 -0.325 0.000 2.226 206 I HA -0.165 4.006 4.170 0.000 0.000 0.245 206 I C 2.762 178.515 176.117 -0.608 0.000 1.100 206 I CA 1.042 62.005 61.300 -0.562 0.000 1.374 206 I CB -0.569 37.031 38.000 -0.668 0.000 1.057 206 I HN 0.366 nan 8.210 nan 0.000 0.413 207 A N 1.004 123.540 122.820 -0.474 0.000 1.908 207 A HA -0.228 4.092 4.320 0.000 0.000 0.218 207 A C 2.019 179.392 177.584 -0.351 0.000 1.181 207 A CA 1.804 53.574 52.037 -0.446 0.000 0.627 207 A CB -0.963 17.683 19.000 -0.591 0.000 0.818 207 A HN 0.360 nan 8.150 nan 0.000 0.445 208 F N -1.037 118.900 119.950 -0.020 0.000 2.206 208 F HA 0.007 4.534 4.527 0.000 0.000 0.298 208 F C 1.969 177.802 175.800 0.056 0.000 1.090 208 F CA 0.861 58.890 58.000 0.048 0.000 1.323 208 F CB -0.749 38.295 39.000 0.074 0.000 1.028 208 F HN 0.211 nan 8.300 nan 0.000 0.492 209 L N -0.801 120.508 121.223 0.143 0.000 1.994 209 L HA -0.233 4.107 4.340 0.000 0.000 0.208 209 L C 2.328 179.331 176.870 0.221 0.000 1.071 209 L CA 1.846 56.765 54.840 0.133 0.000 0.745 209 L CB -0.994 41.088 42.059 0.038 0.000 0.892 209 L HN 0.040 nan 8.230 nan 0.000 0.431 210 Y N 0.131 120.461 120.300 0.050 0.000 2.165 210 Y HA -0.104 4.446 4.550 0.000 0.000 0.286 210 Y C 2.574 178.504 175.900 0.050 0.000 1.155 210 Y CA 0.749 58.870 58.100 0.034 0.000 1.164 210 Y CB -1.737 36.719 38.460 -0.007 0.000 0.978 210 Y HN 0.263 nan 8.280 nan 0.000 0.513 211 G N -0.688 108.242 108.800 0.217 0.000 2.469 211 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 211 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 211 G C 1.933 176.940 174.900 0.178 0.000 1.150 211 G CA 1.470 46.672 45.100 0.170 0.000 0.763 211 G HN 0.427 nan 8.290 nan 0.000 0.561 212 S N 1.079 116.904 115.700 0.210 0.000 2.382 212 S HA 0.016 4.487 4.470 0.000 0.000 0.228 212 S C 2.742 177.467 174.600 0.209 0.000 1.027 212 S CA 1.184 59.502 58.200 0.197 0.000 0.991 212 S CB -0.332 62.988 63.200 0.201 0.000 0.823 212 S HN 0.618 nan 8.310 nan 0.000 0.469 213 A N 1.631 124.567 122.820 0.194 0.000 1.873 213 A HA 0.012 4.332 4.320 0.000 0.000 0.215 213 A C 2.106 179.775 177.584 0.141 0.000 1.186 213 A CA 1.234 53.373 52.037 0.169 0.000 0.616 213 A CB -0.763 18.316 19.000 0.131 0.000 0.823 213 A HN 0.401 nan 8.150 nan 0.000 0.442 214 L N -0.702 120.588 121.223 0.111 0.000 1.990 214 L HA -0.171 4.169 4.340 0.000 0.000 0.213 214 L C 2.236 179.138 176.870 0.052 0.000 1.072 214 L CA 2.176 57.057 54.840 0.068 0.000 0.755 214 L CB -0.728 41.358 42.059 0.045 0.000 0.889 214 L HN 0.316 nan 8.230 nan 0.000 0.432 215 L N -1.613 119.642 121.223 0.053 0.000 2.027 215 L HA -0.169 4.171 4.340 0.000 0.000 0.206 215 L C 2.295 179.236 176.870 0.119 0.000 1.074 215 L CA 1.710 56.553 54.840 0.004 0.000 0.745 215 L CB -1.012 41.038 42.059 -0.015 0.000 0.898 215 L HN 0.287 nan 8.230 nan 0.000 0.433 216 F N -0.008 119.973 119.950 0.053 0.000 2.234 216 F HA -0.080 4.448 4.527 0.000 0.000 0.299 216 F C 2.351 178.185 175.800 0.057 0.000 1.087 216 F CA 0.651 58.698 58.000 0.079 0.000 1.340 216 F CB -1.015 38.036 39.000 0.085 0.000 1.031 216 F HN 0.177 nan 8.300 nan 0.000 0.500 217 A N 0.193 123.162 122.820 0.248 0.000 1.851 217 A HA -0.258 4.063 4.320 0.000 0.000 0.216 217 A C 2.353 180.020 177.584 0.139 0.000 1.195 217 A CA 2.086 54.202 52.037 0.131 0.000 0.622 217 A CB -0.876 18.179 19.000 0.091 0.000 0.831 217 A HN 0.361 nan 8.150 nan 0.000 0.444 218 M N -1.862 117.815 119.600 0.129 0.000 2.088 218 M HA -0.248 4.232 4.480 0.000 0.000 0.256 218 M C 2.323 178.731 176.300 0.181 0.000 1.071 218 M CA 2.346 57.730 55.300 0.139 0.000 1.097 218 M CB -0.604 31.902 32.600 -0.157 0.000 1.315 218 M HN 0.728 nan 8.290 nan 0.000 0.406 219 H N -0.234 118.863 119.070 0.044 0.000 2.326 219 H HA -0.024 4.532 4.556 0.000 0.000 0.301 219 H C 1.961 177.367 175.328 0.131 0.000 1.081 219 H CA 2.099 58.174 56.048 0.045 0.000 1.334 219 H CB -0.722 29.008 29.762 -0.052 0.000 1.385 219 H HN 0.321 nan 8.280 nan 0.000 0.504 220 G N 0.087 108.972 108.800 0.142 0.000 2.446 220 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 220 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 220 G C 1.943 176.799 174.900 -0.073 0.000 1.168 220 G CA 1.317 46.414 45.100 -0.006 0.000 0.771 220 G HN 0.630 nan 8.290 nan 0.000 0.551 221 A N -0.068 122.740 122.820 -0.020 0.000 1.933 221 A HA -0.005 4.315 4.320 0.000 0.000 0.218 221 A C 2.527 180.060 177.584 -0.084 0.000 1.175 221 A CA 2.468 54.472 52.037 -0.055 0.000 0.628 221 A CB -0.907 18.079 19.000 -0.023 0.000 0.814 221 A HN 0.315 nan 8.150 nan 0.000 0.444 222 T N 0.443 114.986 114.554 -0.019 0.000 2.701 222 T HA -0.096 4.255 4.350 0.000 0.000 0.263 222 T C 1.834 176.505 174.700 -0.049 0.000 1.040 222 T CA 1.432 63.521 62.100 -0.018 0.000 1.147 222 T CB -0.296 68.701 68.868 0.216 0.000 0.865 222 T HN 0.286 nan 8.240 nan 0.000 0.426 223 I N 1.497 122.015 120.570 -0.086 0.000 2.151 223 I HA -0.134 4.036 4.170 0.000 0.000 0.243 223 I C 2.369 178.435 176.117 -0.086 0.000 1.080 223 I CA 1.477 62.721 61.300 -0.093 0.000 1.339 223 I CB -1.418 36.469 38.000 -0.189 0.000 1.039 223 I HN 0.290 nan 8.210 nan 0.000 0.409 224 L N 0.425 121.576 121.223 -0.120 0.000 2.131 224 L HA -0.147 4.193 4.340 0.000 0.000 0.210 224 L C 2.736 179.529 176.870 -0.128 0.000 1.092 224 L CA 1.192 55.951 54.840 -0.134 0.000 0.759 224 L CB -0.827 41.131 42.059 -0.168 0.000 0.903 224 L HN 0.179 nan 8.230 nan 0.000 0.435 225 A N 0.253 123.000 122.820 -0.121 0.000 1.972 225 A HA -0.107 4.213 4.320 0.000 0.000 0.219 225 A C 1.993 179.551 177.584 -0.043 0.000 1.169 225 A CA 1.734 53.703 52.037 -0.115 0.000 0.635 225 A CB -0.575 18.322 19.000 -0.171 0.000 0.810 225 A HN 0.352 nan 8.150 nan 0.000 0.446 226 V N -1.740 118.182 119.914 0.014 0.000 3.444 226 V HA 0.144 4.264 4.120 0.000 0.000 0.308 226 V C 1.572 177.714 176.094 0.080 0.000 1.371 226 V CA 0.942 63.346 62.300 0.174 0.000 1.141 226 V CB -0.692 31.273 31.823 0.238 0.000 1.037 226 V HN 0.564 nan 8.190 nan 0.000 0.433 227 S N 2.186 117.859 115.700 -0.044 0.000 2.481 227 S HA -0.183 4.287 4.470 0.000 0.000 0.231 227 S C 1.953 176.484 174.600 -0.116 0.000 0.996 227 S CA 1.025 59.192 58.200 -0.056 0.000 0.942 227 S CB -0.661 62.496 63.200 -0.072 0.000 0.768 227 S HN 0.871 nan 8.310 nan 0.000 0.520 228 R N 0.182 120.517 120.500 -0.276 0.000 2.328 228 R HA 0.096 4.436 4.340 0.000 0.000 0.207 228 R C 0.259 176.224 176.300 -0.558 0.000 1.056 228 R CA 0.919 56.751 56.100 -0.446 0.000 1.016 228 R CB -0.662 29.258 30.300 -0.633 0.000 0.872 228 R HN 0.561 nan 8.270 nan 0.000 0.471 229 F N 0.067 120.016 119.950 -0.001 0.000 2.764 229 F HA 0.454 4.981 4.527 0.000 0.000 0.310 229 F C 1.099 176.900 175.800 0.003 0.000 1.124 229 F CA -0.179 57.821 58.000 0.001 0.000 1.252 229 F CB 1.420 40.418 39.000 -0.004 0.000 1.010 229 F HN 0.179 nan 8.300 nan 0.000 0.518 230 G N 0.643 109.501 108.800 0.097 0.000 2.143 230 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 230 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 230 G C 1.435 176.381 174.900 0.078 0.000 0.991 230 G CA 0.203 45.346 45.100 0.071 0.000 0.689 230 G HN 0.663 nan 8.290 nan 0.000 0.522 231 G N 1.214 110.073 108.800 0.098 0.000 2.503 231 G HA2 -0.211 3.749 3.960 0.000 0.000 0.221 231 G HA3 -0.211 3.749 3.960 0.000 0.000 0.221 231 G C 1.504 176.442 174.900 0.063 0.000 1.131 231 G CA 1.698 46.852 45.100 0.089 0.000 0.756 231 G HN 0.933 nan 8.290 nan 0.000 0.572 232 E N 0.995 121.215 120.200 0.034 0.000 2.418 232 E HA -0.078 4.272 4.350 0.000 0.000 0.197 232 E C 1.112 177.731 176.600 0.033 0.000 1.026 232 E CA 0.055 56.469 56.400 0.025 0.000 0.862 232 E CB -0.277 29.419 29.700 -0.007 0.000 0.799 232 E HN 0.336 nan 8.360 nan 0.000 0.518 233 R N 1.722 122.242 120.500 0.033 0.000 4.154 233 R HA 0.098 4.439 4.340 0.000 0.000 0.186 233 R C 0.908 177.226 176.300 0.031 0.000 1.750 233 R CA 0.027 56.142 56.100 0.025 0.000 1.431 233 R CB -0.071 30.243 30.300 0.023 0.000 1.383 233 R HN 0.284 nan 8.270 nan 0.000 0.788 234 E N 0.688 120.907 120.200 0.033 0.000 2.106 234 E HA -0.191 4.160 4.350 0.000 0.000 0.192 234 E C 1.356 177.961 176.600 0.009 0.000 0.984 234 E CA 1.027 57.457 56.400 0.050 0.000 0.806 234 E CB 0.065 29.810 29.700 0.075 0.000 0.750 234 E HN 0.476 nan 8.360 nan 0.000 0.458 235 L N 0.671 121.879 121.223 -0.026 0.000 2.046 235 L HA -0.182 4.158 4.340 0.000 0.000 0.208 235 L C 2.504 179.367 176.870 -0.012 0.000 1.077 235 L CA 1.034 55.854 54.840 -0.034 0.000 0.747 235 L CB -0.192 41.838 42.059 -0.048 0.000 0.896 235 L HN 0.059 nan 8.230 nan 0.000 0.432 236 E N -0.299 119.900 120.200 -0.001 0.000 2.208 236 E HA -0.176 4.174 4.350 0.000 0.000 0.193 236 E C 2.217 178.826 176.600 0.015 0.000 0.988 236 E CA 0.855 57.259 56.400 0.005 0.000 0.828 236 E CB 0.095 29.800 29.700 0.008 0.000 0.763 236 E HN 0.339 nan 8.360 nan 0.000 0.478 237 Q N -0.395 119.420 119.800 0.025 0.000 2.230 237 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 237 Q C 2.222 178.241 176.000 0.032 0.000 0.963 237 Q CA 0.737 56.561 55.803 0.035 0.000 0.866 237 Q CB 0.110 28.881 28.738 0.055 0.000 0.931 237 Q HN 0.428 nan 8.270 nan 0.000 0.452 238 I N 0.500 121.085 120.570 0.025 0.000 2.252 238 I HA -0.214 3.956 4.170 0.000 0.000 0.245 238 I C 2.213 178.336 176.117 0.010 0.000 1.102 238 I CA 1.083 62.394 61.300 0.019 0.000 1.385 238 I CB -0.219 37.782 38.000 0.003 0.000 1.064 238 I HN 0.043 nan 8.210 nan 0.000 0.414 239 A N -1.008 121.814 122.820 0.004 0.000 2.067 239 A HA -0.111 4.209 4.320 0.000 0.000 0.217 239 A C 0.710 178.297 177.584 0.004 0.000 1.156 239 A CA 1.206 53.243 52.037 0.000 0.000 0.683 239 A CB -0.019 18.978 19.000 -0.004 0.000 0.808 239 A HN 0.403 nan 8.150 nan 0.000 0.455 240 D N -1.147 119.259 120.400 0.009 0.000 3.036 240 D HA 0.093 4.733 4.640 0.000 0.000 0.244 240 D C -0.367 175.940 176.300 0.012 0.000 1.337 240 D CA -0.426 53.579 54.000 0.009 0.000 0.829 240 D CB -0.163 40.642 40.800 0.008 0.000 1.478 240 D HN 0.261 nan 8.370 nan 0.000 0.570 241 R N 0.740 121.248 120.500 0.013 0.000 2.500 241 R HA 0.303 4.643 4.340 0.000 0.000 0.281 241 R C 0.365 176.669 176.300 0.006 0.000 0.953 241 R CA 0.862 56.970 56.100 0.013 0.000 1.108 241 R CB 0.271 30.577 30.300 0.010 0.000 0.901 241 R HN 0.348 nan 8.270 nan 0.000 0.410 242 G N 0.680 109.484 108.800 0.006 0.000 2.932 242 G HA2 0.102 4.062 3.960 0.000 0.000 0.283 242 G HA3 0.102 4.062 3.960 0.000 0.000 0.283 242 G C 0.422 175.297 174.900 -0.040 0.000 1.336 242 G CA -0.203 44.894 45.100 -0.004 0.000 1.056 242 G HN 0.580 nan 8.290 nan 0.000 0.522 243 T N -0.512 113.997 114.554 -0.076 0.000 2.881 243 T HA -0.048 4.303 4.350 0.000 0.000 0.270 243 T C 2.508 177.049 174.700 -0.266 0.000 1.068 243 T CA 2.380 64.363 62.100 -0.195 0.000 1.131 243 T CB -0.528 68.175 68.868 -0.276 0.000 0.871 243 T HN 0.649 nan 8.240 nan 0.000 0.479 244 A N 1.165 123.920 122.820 -0.108 0.000 1.845 244 A HA 0.199 4.519 4.320 0.000 0.000 0.215 244 A C 2.755 180.335 177.584 -0.008 0.000 1.195 244 A CA 2.020 54.064 52.037 0.012 0.000 0.616 244 A CB -1.449 17.638 19.000 0.145 0.000 0.832 244 A HN 0.640 nan 8.150 nan 0.000 0.443 245 A N -0.439 122.385 122.820 0.007 0.000 1.933 245 A HA -0.171 4.149 4.320 0.000 0.000 0.218 245 A C 1.933 179.506 177.584 -0.017 0.000 1.175 245 A CA 1.716 53.766 52.037 0.022 0.000 0.628 245 A CB -0.519 18.501 19.000 0.033 0.000 0.814 245 A HN 0.670 nan 8.150 nan 0.000 0.444 246 E N -0.460 119.702 120.200 -0.065 0.000 2.046 246 E HA -0.154 4.196 4.350 0.000 0.000 0.190 246 E C 2.314 178.820 176.600 -0.158 0.000 0.982 246 E CA 1.024 57.365 56.400 -0.098 0.000 0.800 246 E CB -0.179 29.456 29.700 -0.107 0.000 0.756 246 E HN 0.570 nan 8.360 nan 0.000 0.449 247 R N 0.794 121.174 120.500 -0.200 0.000 2.120 247 R HA -0.064 4.276 4.340 0.000 0.000 0.234 247 R C 2.379 178.592 176.300 -0.145 0.000 1.123 247 R CA 0.916 56.877 56.100 -0.233 0.000 0.975 247 R CB -0.352 29.779 30.300 -0.281 0.000 0.866 247 R HN 0.085 nan 8.270 nan 0.000 0.446 248 A N 1.937 124.725 122.820 -0.054 0.000 1.841 248 A HA -0.179 4.141 4.320 0.000 0.000 0.216 248 A C 2.486 180.129 177.584 0.098 0.000 1.199 248 A CA 1.918 53.981 52.037 0.044 0.000 0.621 248 A CB -0.970 18.088 19.000 0.097 0.000 0.835 248 A HN 0.385 nan 8.150 nan 0.000 0.445 249 A N -0.729 122.119 122.820 0.047 0.000 1.940 249 A HA -0.077 4.243 4.320 0.000 0.000 0.219 249 A C 2.197 179.734 177.584 -0.078 0.000 1.176 249 A CA 1.656 53.719 52.037 0.042 0.000 0.631 249 A CB -0.586 18.421 19.000 0.010 0.000 0.814 249 A HN 0.494 nan 8.150 nan 0.000 0.446 250 L N -2.260 118.800 121.223 -0.272 0.000 2.179 250 L HA -0.072 4.268 4.340 0.000 0.000 0.208 250 L C 2.407 178.801 176.870 -0.793 0.000 1.096 250 L CA 1.029 55.471 54.840 -0.662 0.000 0.779 250 L CB -0.467 41.034 42.059 -0.930 0.000 0.922 250 L HN 0.530 nan 8.230 nan 0.000 0.443 251 F N 0.290 119.881 119.950 -0.598 0.000 2.065 251 F HA -0.285 4.243 4.527 0.000 0.000 0.298 251 F C 1.991 177.493 175.800 -0.496 0.000 1.112 251 F CA 1.877 59.545 58.000 -0.554 0.000 1.212 251 F CB -0.430 38.192 39.000 -0.631 0.000 0.975 251 F HN -0.015 nan 8.300 nan 0.000 0.476 252 W N 0.288 121.570 121.300 -0.030 0.000 2.418 252 W HA -0.010 4.651 4.660 0.000 0.000 0.292 252 W C 2.790 179.179 176.519 -0.216 0.000 1.213 252 W CA 1.162 58.432 57.345 -0.125 0.000 1.283 252 W CB -0.569 28.823 29.460 -0.113 0.000 1.119 252 W HN -0.108 nan 8.180 nan 0.000 0.542 253 R N -0.165 120.341 120.500 0.011 0.000 2.083 253 R HA -0.207 4.133 4.340 0.000 0.000 0.237 253 R C 1.930 178.326 176.300 0.161 0.000 1.137 253 R CA 2.224 58.360 56.100 0.059 0.000 0.951 253 R CB -0.722 29.600 30.300 0.036 0.000 0.851 253 R HN 0.114 nan 8.270 nan 0.000 0.434 254 W N 0.218 121.435 121.300 -0.138 0.000 2.425 254 W HA -0.004 4.656 4.660 0.000 0.000 0.277 254 W C 2.121 178.506 176.519 -0.224 0.000 1.231 254 W CA 0.982 58.221 57.345 -0.177 0.000 1.248 254 W CB -1.054 28.276 29.460 -0.217 0.000 1.117 254 W HN 0.148 nan 8.180 nan 0.000 0.568 255 T N 0.648 115.126 114.554 -0.127 0.000 2.735 255 T HA -0.093 4.258 4.350 0.000 0.000 0.256 255 T C 1.641 176.346 174.700 0.007 0.000 1.042 255 T CA 1.844 63.831 62.100 -0.189 0.000 1.147 255 T CB -0.233 68.347 68.868 -0.480 0.000 0.865 255 T HN 0.181 nan 8.240 nan 0.000 0.421 256 M N -0.791 118.861 119.600 0.086 0.000 2.416 256 M HA 0.598 5.078 4.480 0.000 0.000 0.337 256 M C 1.137 177.593 176.300 0.259 0.000 1.074 256 M CA 0.059 55.457 55.300 0.163 0.000 0.968 256 M CB 0.925 33.633 32.600 0.179 0.000 1.472 256 M HN 0.269 nan 8.290 nan 0.000 0.539 257 G N 2.149 111.075 108.800 0.211 0.000 2.148 257 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 257 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 257 G C -0.266 174.868 174.900 0.389 0.000 0.981 257 G CA 0.708 45.963 45.100 0.258 0.000 0.670 257 G HN 0.888 nan 8.290 nan 0.000 0.528 258 F N -1.085 118.922 119.950 0.096 0.000 2.779 258 F HA 0.763 5.290 4.527 0.000 0.000 0.316 258 F C -0.865 174.993 175.800 0.098 0.000 1.164 258 F CA -1.366 56.685 58.000 0.086 0.000 0.924 258 F CB 0.696 39.736 39.000 0.067 0.000 1.348 258 F HN 0.498 nan 8.300 nan 0.000 0.467 259 N N 0.923 119.604 118.700 -0.033 0.000 3.116 259 N HA 0.680 5.420 4.740 0.000 0.000 0.244 259 N C -1.945 173.588 175.510 0.039 0.000 1.485 259 N CA -0.558 52.433 53.050 -0.099 0.000 0.884 259 N CB 1.794 40.298 38.487 0.028 0.000 1.415 259 N HN 1.138 nan 8.380 nan 0.000 0.524 260 A N -0.077 122.753 122.820 0.016 0.000 2.373 260 A HA 0.840 5.160 4.320 0.000 0.000 0.291 260 A C 0.030 177.672 177.584 0.096 0.000 1.171 260 A CA -0.225 51.875 52.037 0.105 0.000 0.922 260 A CB 0.701 19.735 19.000 0.057 0.000 1.400 260 A HN 0.859 nan 8.150 nan 0.000 0.474 261 T N -3.134 111.483 114.554 0.106 0.000 2.950 261 T HA 0.435 4.785 4.350 0.000 0.000 0.288 261 T C 0.898 175.649 174.700 0.086 0.000 1.035 261 T CA -0.220 61.930 62.100 0.083 0.000 1.028 261 T CB 0.994 69.906 68.868 0.074 0.000 1.109 261 T HN 0.460 nan 8.240 nan 0.000 0.514 262 M N 0.481 120.138 119.600 0.094 0.000 2.143 262 M HA -0.097 4.384 4.480 0.000 0.000 0.258 262 M C 2.048 178.459 176.300 0.186 0.000 1.071 262 M CA 1.813 57.196 55.300 0.138 0.000 1.088 262 M CB -0.796 31.875 32.600 0.119 0.000 1.360 262 M HN 0.906 nan 8.290 nan 0.000 0.404 263 E N -1.677 118.595 120.200 0.120 0.000 2.102 263 E HA -0.039 4.312 4.350 0.000 0.000 0.190 263 E C 1.954 178.619 176.600 0.108 0.000 0.971 263 E CA 0.887 57.353 56.400 0.110 0.000 0.821 263 E CB -0.364 29.358 29.700 0.036 0.000 0.777 263 E HN 0.588 nan 8.360 nan 0.000 0.460 264 G N 1.523 110.372 108.800 0.082 0.000 2.432 264 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 264 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 264 G C 1.528 176.503 174.900 0.125 0.000 1.135 264 G CA 0.631 45.774 45.100 0.073 0.000 0.767 264 G HN 0.295 nan 8.290 nan 0.000 0.550 265 I N 0.694 121.309 120.570 0.075 0.000 2.264 265 I HA -0.166 4.004 4.170 0.000 0.000 0.248 265 I C 2.369 178.347 176.117 -0.233 0.000 1.111 265 I CA 1.418 62.671 61.300 -0.079 0.000 1.382 265 I CB -0.320 37.449 38.000 -0.385 0.000 1.060 265 I HN 0.295 nan 8.210 nan 0.000 0.418 266 H N -0.407 118.594 119.070 -0.114 0.000 2.521 266 H HA 0.036 4.593 4.556 0.000 0.000 0.286 266 H C 2.238 177.537 175.328 -0.049 0.000 1.034 266 H CA 1.030 57.000 56.048 -0.129 0.000 1.278 266 H CB -0.072 29.614 29.762 -0.125 0.000 1.386 266 H HN 0.304 nan 8.280 nan 0.000 0.567 267 R N -0.700 119.845 120.500 0.074 0.000 2.075 267 R HA -0.092 4.248 4.340 0.000 0.000 0.226 267 R C 1.539 177.949 176.300 0.184 0.000 1.114 267 R CA 1.063 57.223 56.100 0.100 0.000 0.972 267 R CB -0.257 30.055 30.300 0.021 0.000 0.869 267 R HN 0.373 nan 8.270 nan 0.000 0.437 268 W N 1.261 122.601 121.300 0.066 0.000 2.318 268 W HA -0.225 4.436 4.660 0.000 0.000 0.313 268 W C 2.578 179.123 176.519 0.044 0.000 1.221 268 W CA 1.305 58.685 57.345 0.057 0.000 1.266 268 W CB -0.330 29.105 29.460 -0.043 0.000 1.150 268 W HN 0.192 nan 8.180 nan 0.000 0.496 269 A N 0.240 123.157 122.820 0.162 0.000 1.851 269 A HA -0.252 4.068 4.320 0.000 0.000 0.216 269 A C 1.906 179.529 177.584 0.064 0.000 1.195 269 A CA 1.904 53.947 52.037 0.009 0.000 0.622 269 A CB -1.184 17.705 19.000 -0.186 0.000 0.831 269 A HN 0.357 nan 8.150 nan 0.000 0.444 270 I N -2.288 118.324 120.570 0.070 0.000 2.264 270 I HA -0.269 3.901 4.170 0.000 0.000 0.248 270 I C 2.207 178.353 176.117 0.049 0.000 1.111 270 I CA 1.495 62.820 61.300 0.042 0.000 1.382 270 I CB -0.071 37.944 38.000 0.025 0.000 1.060 270 I HN 0.615 nan 8.210 nan 0.000 0.418 271 W N -0.578 120.790 121.300 0.113 0.000 2.523 271 W HA -0.095 4.565 4.660 0.000 0.000 0.278 271 W C 2.353 178.874 176.519 0.002 0.000 1.236 271 W CA 0.364 57.755 57.345 0.078 0.000 1.306 271 W CB -0.214 29.267 29.460 0.034 0.000 1.101 271 W HN 0.115 nan 8.180 nan 0.000 0.577 272 M N 1.063 120.844 119.600 0.301 0.000 2.080 272 M HA -0.153 4.328 4.480 0.000 0.000 0.260 272 M C 2.115 178.514 176.300 0.164 0.000 1.068 272 M CA 2.449 57.912 55.300 0.271 0.000 1.109 272 M CB -0.984 31.786 32.600 0.284 0.000 1.342 272 M HN -0.036 nan 8.290 nan 0.000 0.405 273 A N -0.808 122.080 122.820 0.113 0.000 1.841 273 A HA -0.103 4.217 4.320 0.000 0.000 0.214 273 A C 2.176 179.767 177.584 0.013 0.000 1.195 273 A CA 2.316 54.399 52.037 0.075 0.000 0.611 273 A CB -1.728 17.304 19.000 0.053 0.000 0.835 273 A HN 0.685 nan 8.150 nan 0.000 0.443 274 V N -1.185 118.693 119.914 -0.061 0.000 2.720 274 V HA -0.131 3.989 4.120 0.000 0.000 0.256 274 V C 2.043 178.065 176.094 -0.121 0.000 1.082 274 V CA 1.997 64.203 62.300 -0.156 0.000 1.101 274 V CB -0.750 30.820 31.823 -0.421 0.000 0.693 274 V HN 0.445 nan 8.190 nan 0.000 0.479 275 L N -0.444 120.690 121.223 -0.149 0.000 2.291 275 L HA -0.054 4.286 4.340 0.000 0.000 0.214 275 L C 2.604 179.396 176.870 -0.130 0.000 1.120 275 L CA 1.056 55.701 54.840 -0.324 0.000 0.799 275 L CB -0.397 41.035 42.059 -1.046 0.000 0.925 275 L HN 0.282 nan 8.230 nan 0.000 0.446 276 V N 0.064 119.995 119.914 0.030 0.000 2.219 276 V HA -0.348 3.773 4.120 0.000 0.000 0.248 276 V C 2.597 178.767 176.094 0.127 0.000 1.053 276 V CA 2.680 65.073 62.300 0.155 0.000 1.009 276 V CB -1.121 30.785 31.823 0.139 0.000 0.636 276 V HN 0.648 nan 8.190 nan 0.000 0.445 277 T N -1.970 112.641 114.554 0.095 0.000 3.043 277 T HA 0.028 4.379 4.350 0.000 0.000 0.263 277 T C 1.905 176.742 174.700 0.229 0.000 1.094 277 T CA 0.504 62.679 62.100 0.124 0.000 1.127 277 T CB -0.095 68.830 68.868 0.095 0.000 0.905 277 T HN 0.186 nan 8.240 nan 0.000 0.490 278 L N 2.516 123.842 121.223 0.173 0.000 1.988 278 L HA -0.093 4.247 4.340 0.000 0.000 0.207 278 L C 2.922 179.964 176.870 0.287 0.000 1.071 278 L CA 2.739 57.698 54.840 0.198 0.000 0.744 278 L CB -1.455 40.615 42.059 0.017 0.000 0.893 278 L HN 0.540 nan 8.230 nan 0.000 0.433 279 T N -3.107 111.595 114.554 0.247 0.000 2.746 279 T HA -0.105 4.246 4.350 0.000 0.000 0.267 279 T C 1.945 176.807 174.700 0.270 0.000 1.039 279 T CA 1.029 63.343 62.100 0.358 0.000 1.142 279 T CB -1.161 67.991 68.868 0.473 0.000 0.866 279 T HN 0.390 nan 8.240 nan 0.000 0.444 280 G N 1.578 110.502 108.800 0.207 0.000 2.491 280 G HA2 -0.020 3.940 3.960 0.000 0.000 0.218 280 G HA3 -0.020 3.940 3.960 0.000 0.000 0.218 280 G C 1.790 176.710 174.900 0.032 0.000 1.180 280 G CA 0.819 45.990 45.100 0.118 0.000 0.774 280 G HN 0.686 nan 8.290 nan 0.000 0.562 281 G N 0.833 109.641 108.800 0.013 0.000 2.469 281 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 281 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 281 G C 1.783 176.579 174.900 -0.174 0.000 1.136 281 G CA 0.925 45.837 45.100 -0.312 0.000 0.759 281 G HN 0.473 nan 8.290 nan 0.000 0.562 282 I N 1.020 121.641 120.570 0.085 0.000 2.286 282 I HA -0.021 4.149 4.170 0.000 0.000 0.245 282 I C 3.101 179.062 176.117 -0.261 0.000 1.104 282 I CA 0.844 62.078 61.300 -0.109 0.000 1.397 282 I CB -0.486 37.260 38.000 -0.423 0.000 1.072 282 I HN 0.231 nan 8.210 nan 0.000 0.417 283 G N 1.694 110.377 108.800 -0.194 0.000 2.446 283 G HA2 -0.223 3.738 3.960 0.000 0.000 0.217 283 G HA3 -0.223 3.738 3.960 0.000 0.000 0.217 283 G C 1.560 176.475 174.900 0.025 0.000 1.168 283 G CA 0.682 45.742 45.100 -0.067 0.000 0.771 283 G HN 0.164 nan 8.290 nan 0.000 0.551 284 I N 0.553 121.110 120.570 -0.022 0.000 2.202 284 I HA -0.044 4.126 4.170 0.000 0.000 0.242 284 I C 2.650 178.795 176.117 0.046 0.000 1.091 284 I CA 0.545 61.841 61.300 -0.007 0.000 1.368 284 I CB -1.315 36.587 38.000 -0.163 0.000 1.058 284 I HN 0.148 nan 8.210 nan 0.000 0.410 285 L N 0.682 121.872 121.223 -0.054 0.000 2.129 285 L HA -0.160 4.180 4.340 0.000 0.000 0.212 285 L C 2.227 179.122 176.870 0.041 0.000 1.087 285 L CA 1.759 56.576 54.840 -0.038 0.000 0.757 285 L CB -0.496 41.513 42.059 -0.084 0.000 0.896 285 L HN 0.144 nan 8.230 nan 0.000 0.434 286 L N -1.388 119.887 121.223 0.087 0.000 2.418 286 L HA 0.043 4.384 4.340 0.000 0.000 0.218 286 L C 0.971 177.907 176.870 0.110 0.000 1.125 286 L CA -0.115 54.795 54.840 0.117 0.000 0.835 286 L CB -0.301 41.876 42.059 0.196 0.000 0.953 286 L HN 0.030 nan 8.230 nan 0.000 0.454 287 S N 0.140 115.954 115.700 0.190 0.000 2.488 287 S HA 0.352 4.822 4.470 0.000 0.000 0.278 287 S C 1.173 175.744 174.600 -0.048 0.000 1.259 287 S CA 0.423 58.647 58.200 0.040 0.000 1.061 287 S CB 0.980 64.192 63.200 0.019 0.000 0.910 287 S HN 0.556 nan 8.310 nan 0.000 0.491 288 G N 3.126 111.929 108.800 0.004 0.000 2.377 288 G HA2 -0.391 3.569 3.960 0.000 0.000 0.250 288 G HA3 -0.391 3.569 3.960 0.000 0.000 0.250 288 G C 1.133 176.032 174.900 -0.002 0.000 1.039 288 G CA 1.113 46.262 45.100 0.081 0.000 0.625 288 G HN 0.835 nan 8.290 nan 0.000 0.526 289 T N -2.119 112.431 114.554 -0.007 0.000 2.894 289 T HA 0.347 4.697 4.350 0.000 0.000 0.258 289 T C 2.084 176.764 174.700 -0.033 0.000 1.043 289 T CA 2.217 64.308 62.100 -0.015 0.000 1.141 289 T CB 0.105 68.974 68.868 0.002 0.000 0.873 289 T HN 0.707 nan 8.240 nan 0.000 0.449 290 V N -0.064 119.816 119.914 -0.057 0.000 3.250 290 V HA 0.369 4.489 4.120 0.000 0.000 0.240 290 V C 0.283 176.287 176.094 -0.150 0.000 1.275 290 V CA -0.166 62.094 62.300 -0.067 0.000 1.206 290 V CB 1.143 32.949 31.823 -0.029 0.000 0.976 290 V HN 0.306 nan 8.190 nan 0.000 0.467 291 V N 0.982 120.712 119.914 -0.308 0.000 2.409 291 V HA 0.425 4.545 4.120 0.000 0.000 0.291 291 V C 0.474 176.312 176.094 -0.427 0.000 1.020 291 V CA -0.306 61.673 62.300 -0.535 0.000 0.848 291 V CB 1.708 32.717 31.823 -1.357 0.000 0.990 291 V HN 0.216 nan 8.190 nan 0.000 0.430 292 D N 2.387 122.626 120.400 -0.269 0.000 2.183 292 D HA 0.027 4.667 4.640 0.000 0.000 0.205 292 D C 0.596 176.799 176.300 -0.162 0.000 0.962 292 D CA 1.131 55.031 54.000 -0.167 0.000 0.849 292 D CB 0.392 41.117 40.800 -0.125 0.000 0.978 292 D HN 0.501 nan 8.370 nan 0.000 0.488 293 N N -0.425 118.162 118.700 -0.188 0.000 2.558 293 N HA 0.014 4.754 4.740 0.000 0.000 0.285 293 N C 0.024 175.540 175.510 0.010 0.000 1.112 293 N CA -0.380 52.643 53.050 -0.045 0.000 0.857 293 N CB 0.357 38.855 38.487 0.019 0.000 1.376 293 N HN -0.074 nan 8.380 nan 0.000 0.526 294 W N 1.777 123.211 121.300 0.223 0.000 2.342 294 W HA -0.193 4.468 4.660 0.000 0.000 0.297 294 W C 1.841 178.555 176.519 0.325 0.000 1.213 294 W CA 0.757 58.278 57.345 0.294 0.000 1.251 294 W CB -0.313 29.318 29.460 0.286 0.000 1.136 294 W HN 0.678 nan 8.180 nan 0.000 0.526 295 Y N 0.650 121.100 120.300 0.250 0.000 2.165 295 Y HA -0.310 4.241 4.550 0.000 0.000 0.286 295 Y C 2.201 178.036 175.900 -0.109 0.000 1.155 295 Y CA 2.189 60.137 58.100 -0.252 0.000 1.164 295 Y CB -0.798 37.433 38.460 -0.382 0.000 0.978 295 Y HN -0.216 nan 8.280 nan 0.000 0.513 296 V N -0.698 119.233 119.914 0.028 0.000 2.270 296 V HA -0.303 3.817 4.120 0.000 0.000 0.245 296 V C 2.099 178.161 176.094 -0.054 0.000 1.043 296 V CA 1.989 64.251 62.300 -0.062 0.000 1.014 296 V CB -1.168 30.677 31.823 0.036 0.000 0.645 296 V HN 0.724 nan 8.190 nan 0.000 0.447 297 W N 1.524 122.763 121.300 -0.100 0.000 2.318 297 W HA -0.181 4.479 4.660 0.000 0.000 0.313 297 W C 2.274 178.781 176.519 -0.020 0.000 1.221 297 W CA 2.045 59.363 57.345 -0.046 0.000 1.266 297 W CB -0.664 28.780 29.460 -0.027 0.000 1.150 297 W HN 0.253 nan 8.180 nan 0.000 0.496 298 G N -0.492 108.418 108.800 0.183 0.000 2.509 298 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 298 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 298 G C 1.395 176.039 174.900 -0.427 0.000 1.124 298 G CA 0.734 45.787 45.100 -0.079 0.000 0.776 298 G HN 0.290 nan 8.290 nan 0.000 0.547 299 Q N 0.471 119.998 119.800 -0.455 0.000 2.212 299 Q HA 0.050 4.390 4.340 0.000 0.000 0.199 299 Q C 1.812 177.602 176.000 -0.351 0.000 0.950 299 Q CA 0.420 55.949 55.803 -0.457 0.000 0.863 299 Q CB -0.163 28.293 28.738 -0.470 0.000 0.944 299 Q HN 0.506 nan 8.270 nan 0.000 0.465 300 N N 0.331 118.831 118.700 -0.333 0.000 2.449 300 N HA -0.074 4.666 4.740 0.000 0.000 0.191 300 N C -0.089 175.248 175.510 -0.289 0.000 1.161 300 N CA 0.104 52.993 53.050 -0.269 0.000 0.863 300 N CB 0.152 38.490 38.487 -0.247 0.000 0.980 300 N HN 0.308 nan 8.380 nan 0.000 0.458 301 H N -0.247 118.557 119.070 -0.442 0.000 3.888 301 H HA -0.183 4.373 4.556 0.000 0.000 0.200 301 H C 0.629 175.420 175.328 -0.895 0.000 0.974 301 H CA 1.537 57.288 56.048 -0.496 0.000 1.220 301 H CB -1.050 28.553 29.762 -0.264 0.000 1.120 301 H HN 0.513 nan 8.280 nan 0.000 0.335 302 G N -1.054 107.151 108.800 -0.992 0.000 2.246 302 G HA2 0.561 4.521 3.960 0.000 0.000 0.196 302 G HA3 0.561 4.521 3.960 0.000 0.000 0.196 302 G C -0.380 174.281 174.900 -0.398 0.000 2.264 302 G CA 0.468 44.899 45.100 -1.115 0.000 1.089 302 G HN 0.929 nan 8.290 nan 0.000 0.599 303 M N 0.000 119.411 119.600 -0.316 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411