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 3ncy_1_A DATA FIRST_RESID 10 DATA SEQUENCE VGLIPVTLMV SGNIMGSGVF LLPANLAATG GIAIYGWLVT IIGALALSMV DATA SEQUENCE YAKMSSLDPS PGGSYAYARR CFGPFLGYQT NVLYWLACWI GNIAMVVIGV DATA SEQUENCE GYLSYFFPIL KDPLVLTLTC VAVLWIFVLL NIVGPKMITR VQAVATVLAL DATA SEQUENCE VPIVGIAVFG WFWFKGEXXX XXWNVSGMNT FGAIQSTLNV TLWSFIGVES DATA SEQUENCE ASVAAGVVKN PKRNVPIATI GGVLIAAVCY VLSTTAIMGM IPNAALRVSA DATA SEQUENCE SPFGDAARMA LGDTAGAIVS FCAAAGCLGS LGGWTLLAGQ TAKAAADDGL DATA SEQUENCE FPPIFARXXX XXTPVAGLLI VGVLMTIFQF SSMSPNAAKE FGLVSSVSVI DATA SEQUENCE FTLVPYLYTC AALLLLGHGH FGKARPLYLL ITFVAFVYCI WAVIGSGAKE DATA SEQUENCE VMWSFVTLMV ITALYALNYN RIHKNPYPLD AP 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.103 176.094 0.015 0.000 1.182 10 V CA 0.000 62.309 62.300 0.015 0.000 1.235 10 V CB 0.000 31.833 31.823 0.016 0.000 1.184 11 G N 3.737 112.546 108.800 0.015 0.000 2.756 11 G HA2 0.295 4.255 3.960 0.000 0.000 0.203 11 G HA3 0.295 4.255 3.960 0.000 0.000 0.203 11 G C 0.575 175.483 174.900 0.013 0.000 2.015 11 G CA 0.703 45.811 45.100 0.014 0.000 0.835 11 G HN 0.954 nan 8.290 nan 0.000 0.648 12 L N -0.761 120.470 121.223 0.013 0.000 2.347 12 L HA 0.438 4.778 4.340 0.000 0.000 0.196 12 L C 2.427 179.304 176.870 0.011 0.000 1.072 12 L CA 0.714 55.561 54.840 0.012 0.000 0.817 12 L CB -0.457 41.610 42.059 0.012 0.000 1.029 12 L HN 0.225 nan 8.230 nan 0.000 0.478 13 I N 0.767 121.345 120.570 0.012 0.000 2.361 13 I HA -0.095 4.075 4.170 0.000 0.000 0.251 13 I C -0.928 175.197 176.117 0.013 0.000 1.133 13 I CA 1.293 62.600 61.300 0.012 0.000 1.413 13 I CB -0.924 37.084 38.000 0.013 0.000 1.073 13 I HN 0.260 nan 8.210 nan 0.000 0.424 14 P HA 0.020 nan 4.420 nan 0.000 0.227 14 P C 1.898 179.204 177.300 0.011 0.000 1.161 14 P CA 0.787 63.896 63.100 0.016 0.000 0.788 14 P CB 0.164 31.874 31.700 0.018 0.000 0.822 15 V N -0.008 119.910 119.914 0.007 0.000 2.599 15 V HA -0.139 3.981 4.120 0.000 0.000 0.245 15 V C 2.506 178.599 176.094 -0.003 0.000 1.046 15 V CA 2.321 64.621 62.300 -0.001 0.000 1.065 15 V CB -1.941 29.883 31.823 0.001 0.000 0.703 15 V HN 0.230 nan 8.190 nan 0.000 0.464 16 T N -0.947 113.609 114.554 0.003 0.000 2.849 16 T HA -0.144 4.206 4.350 0.000 0.000 0.270 16 T C 1.755 176.458 174.700 0.004 0.000 1.066 16 T CA 1.440 63.542 62.100 0.004 0.000 1.130 16 T CB -0.426 68.446 68.868 0.007 0.000 0.864 16 T HN 0.393 nan 8.240 nan 0.000 0.481 17 L N -0.404 120.822 121.223 0.006 0.000 2.270 17 L HA 0.241 4.582 4.340 0.000 0.000 0.210 17 L C 2.850 179.723 176.870 0.006 0.000 1.104 17 L CA 0.964 55.811 54.840 0.010 0.000 0.804 17 L CB -0.529 41.540 42.059 0.018 0.000 0.937 17 L HN 0.300 nan 8.230 nan 0.000 0.450 18 M N 0.005 119.600 119.600 -0.008 0.000 2.123 18 M HA -0.142 4.338 4.480 0.000 0.000 0.263 18 M C 2.168 178.440 176.300 -0.047 0.000 1.069 18 M CA 1.672 56.952 55.300 -0.033 0.000 1.133 18 M CB 0.026 32.595 32.600 -0.052 0.000 1.356 18 M HN 0.004 nan 8.290 nan 0.000 0.415 19 V N 1.036 120.928 119.914 -0.037 0.000 2.453 19 V HA -0.255 3.865 4.120 0.000 0.000 0.252 19 V C 2.527 178.629 176.094 0.013 0.000 1.068 19 V CA 2.091 64.374 62.300 -0.028 0.000 1.070 19 V CB -1.224 30.591 31.823 -0.012 0.000 0.664 19 V HN 0.766 nan 8.190 nan 0.000 0.461 20 S N 0.219 115.929 115.700 0.017 0.000 2.421 20 S HA 0.062 4.532 4.470 0.000 0.000 0.224 20 S C 2.098 176.724 174.600 0.042 0.000 1.035 20 S CA 0.789 59.007 58.200 0.029 0.000 0.953 20 S CB -0.371 62.834 63.200 0.008 0.000 0.810 20 S HN 0.478 nan 8.310 nan 0.000 0.497 21 G N 2.463 111.284 108.800 0.035 0.000 2.422 21 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 21 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 21 G C 1.262 176.225 174.900 0.104 0.000 1.146 21 G CA 0.773 45.907 45.100 0.056 0.000 0.769 21 G HN 0.542 nan 8.290 nan 0.000 0.547 22 N N 0.328 119.077 118.700 0.081 0.000 2.571 22 N HA 0.083 4.823 4.740 0.000 0.000 0.189 22 N C 1.761 177.479 175.510 0.347 0.000 1.154 22 N CA 0.306 53.475 53.050 0.198 0.000 0.907 22 N CB 0.084 38.442 38.487 -0.214 0.000 0.977 22 N HN 0.461 nan 8.380 nan 0.000 0.449 23 I N -1.106 119.601 120.570 0.229 0.000 3.039 23 I HA 0.103 4.273 4.170 0.000 0.000 0.270 23 I C 0.582 176.833 176.117 0.224 0.000 1.150 23 I CA 0.491 61.937 61.300 0.243 0.000 1.448 23 I CB 0.064 38.175 38.000 0.185 0.000 1.197 23 I HN -0.028 nan 8.210 nan 0.000 0.450 24 M N 1.802 121.506 119.600 0.173 0.000 3.443 24 M HA 0.281 4.761 4.480 0.000 0.000 0.228 24 M C 1.048 177.434 176.300 0.142 0.000 1.227 24 M CA -0.142 55.268 55.300 0.184 0.000 1.321 24 M CB 0.222 32.902 32.600 0.134 0.000 1.134 24 M HN 0.154 nan 8.290 nan 0.000 0.567 25 G N -0.265 108.614 108.800 0.132 0.000 3.088 25 G HA2 0.022 3.982 3.960 0.000 0.000 0.212 25 G HA3 0.022 3.982 3.960 0.000 0.000 0.212 25 G C 0.762 175.675 174.900 0.023 0.000 1.173 25 G CA 0.145 45.280 45.100 0.058 0.000 0.779 25 G HN 0.524 nan 8.290 nan 0.000 0.540 26 S N -1.202 114.554 115.700 0.095 0.000 2.885 26 S HA 0.267 4.737 4.470 0.000 0.000 0.238 26 S C 1.699 176.414 174.600 0.192 0.000 0.766 26 S CA 0.549 58.831 58.200 0.137 0.000 1.089 26 S CB -0.464 62.819 63.200 0.138 0.000 1.396 26 S HN 0.301 nan 8.310 nan 0.000 0.509 27 G N 0.899 109.815 108.800 0.194 0.000 2.484 27 G HA2 -0.023 3.937 3.960 0.000 0.000 0.218 27 G HA3 -0.023 3.937 3.960 0.000 0.000 0.218 27 G C 1.350 176.351 174.900 0.168 0.000 1.130 27 G CA 1.191 46.421 45.100 0.217 0.000 0.784 27 G HN 0.856 nan 8.290 nan 0.000 0.543 28 V N -2.140 117.908 119.914 0.224 0.000 2.649 28 V HA 0.207 4.328 4.120 0.000 0.000 0.248 28 V C 2.284 178.583 176.094 0.342 0.000 1.054 28 V CA 1.319 63.787 62.300 0.281 0.000 1.073 28 V CB -0.643 31.391 31.823 0.350 0.000 0.699 28 V HN 0.236 nan 8.190 nan 0.000 0.463 29 F N 0.208 120.276 119.950 0.197 0.000 2.698 29 F HA 0.319 4.846 4.527 0.000 0.000 0.295 29 F C 1.714 177.559 175.800 0.075 0.000 1.124 29 F CA 0.415 58.523 58.000 0.180 0.000 1.426 29 F CB 0.112 39.237 39.000 0.208 0.000 1.120 29 F HN 0.112 nan 8.300 nan 0.000 0.583 30 L N 1.127 122.279 121.223 -0.120 0.000 2.042 30 L HA -0.209 4.131 4.340 0.000 0.000 0.210 30 L C 2.019 178.674 176.870 -0.359 0.000 1.076 30 L CA 1.953 56.636 54.840 -0.262 0.000 0.749 30 L CB -0.932 41.023 42.059 -0.173 0.000 0.893 30 L HN 0.311 nan 8.230 nan 0.000 0.432 31 L N -0.982 120.068 121.223 -0.288 0.000 1.963 31 L HA -0.210 4.130 4.340 0.000 0.000 0.220 31 L C -0.046 176.663 176.870 -0.269 0.000 1.076 31 L CA 1.548 56.239 54.840 -0.249 0.000 0.772 31 L CB -2.867 39.004 42.059 -0.314 0.000 0.892 31 L HN 0.168 nan 8.230 nan 0.000 0.435 32 P HA -0.221 nan 4.420 nan 0.000 0.214 32 P C 1.627 178.769 177.300 -0.264 0.000 1.163 32 P CA 2.145 65.098 63.100 -0.245 0.000 0.889 32 P CB -0.128 31.444 31.700 -0.212 0.000 0.790 33 A N 0.025 122.578 122.820 -0.446 0.000 2.032 33 A HA -0.245 4.075 4.320 0.000 0.000 0.221 33 A C 2.209 179.686 177.584 -0.178 0.000 1.165 33 A CA 2.057 53.921 52.037 -0.288 0.000 0.645 33 A CB -1.465 17.331 19.000 -0.339 0.000 0.807 33 A HN 0.285 nan 8.150 nan 0.000 0.453 34 N N 0.120 118.705 118.700 -0.193 0.000 2.405 34 N HA 0.019 4.759 4.740 0.000 0.000 0.175 34 N C 1.426 176.875 175.510 -0.102 0.000 1.051 34 N CA 0.656 53.621 53.050 -0.140 0.000 0.899 34 N CB -0.277 38.124 38.487 -0.143 0.000 1.000 34 N HN 0.482 nan 8.380 nan 0.000 0.451 35 L N 0.580 121.741 121.223 -0.102 0.000 2.291 35 L HA 0.069 4.409 4.340 0.000 0.000 0.214 35 L C 2.701 179.537 176.870 -0.057 0.000 1.120 35 L CA 0.738 55.536 54.840 -0.070 0.000 0.799 35 L CB -0.566 41.447 42.059 -0.075 0.000 0.925 35 L HN 0.115 nan 8.230 nan 0.000 0.446 36 A N 0.974 123.757 122.820 -0.062 0.000 1.859 36 A HA -0.155 4.165 4.320 0.000 0.000 0.217 36 A C 1.849 179.408 177.584 -0.042 0.000 1.198 36 A CA 1.682 53.691 52.037 -0.046 0.000 0.629 36 A CB -0.695 18.279 19.000 -0.044 0.000 0.830 36 A HN 0.357 nan 8.150 nan 0.000 0.446 37 A N -0.108 122.682 122.820 -0.050 0.000 3.063 37 A HA 0.475 4.795 4.320 0.000 0.000 0.263 37 A C 0.699 178.259 177.584 -0.041 0.000 1.736 37 A CA 0.864 52.873 52.037 -0.046 0.000 1.408 37 A CB -1.685 17.281 19.000 -0.057 0.000 1.108 37 A HN 1.410 nan 8.150 nan 0.000 0.621 38 T N -0.630 113.905 114.554 -0.032 0.000 0.541 38 T HA -0.153 4.197 4.350 0.000 0.000 0.774 38 T C 1.065 175.756 174.700 -0.016 0.000 0.992 38 T CA 1.784 63.871 62.100 -0.021 0.000 4.077 38 T CB -0.812 68.047 68.868 -0.015 0.000 2.303 38 T HN 1.699 nan 8.240 nan 0.000 0.398 39 G N -0.659 108.141 108.800 0.000 0.000 3.873 39 G HA2 0.485 4.445 3.960 0.000 0.000 0.232 39 G HA3 0.485 4.445 3.960 0.000 0.000 0.232 39 G C 1.075 176.004 174.900 0.049 0.000 1.097 39 G CA 0.627 45.740 45.100 0.022 0.000 0.889 39 G HN 1.193 nan 8.290 nan 0.000 0.532 40 G N 0.819 109.642 108.800 0.037 0.000 2.486 40 G HA2 0.092 4.052 3.960 0.000 0.000 0.210 40 G HA3 0.092 4.052 3.960 0.000 0.000 0.210 40 G C 1.235 176.177 174.900 0.070 0.000 1.168 40 G CA 0.321 45.450 45.100 0.047 0.000 0.820 40 G HN 0.326 nan 8.290 nan 0.000 0.544 41 I N 1.491 122.089 120.570 0.048 0.000 3.806 41 I HA 0.324 4.494 4.170 0.000 0.000 0.321 41 I C 2.275 178.465 176.117 0.121 0.000 1.315 41 I CA 0.160 61.503 61.300 0.071 0.000 1.148 41 I CB 0.302 38.297 38.000 -0.007 0.000 1.028 41 I HN 0.192 nan 8.210 nan 0.000 0.415 42 A N 0.750 123.631 122.820 0.101 0.000 1.935 42 A HA -0.028 4.292 4.320 0.000 0.000 0.214 42 A C 1.868 179.548 177.584 0.160 0.000 1.178 42 A CA 0.644 52.721 52.037 0.066 0.000 0.640 42 A CB -0.192 18.832 19.000 0.040 0.000 0.825 42 A HN 0.389 nan 8.150 nan 0.000 0.447 43 I N -1.425 119.320 120.570 0.292 0.000 2.614 43 I HA -0.158 4.012 4.170 0.000 0.000 0.258 43 I C 1.821 178.124 176.117 0.309 0.000 1.189 43 I CA 0.920 62.468 61.300 0.415 0.000 1.462 43 I CB -1.667 36.505 38.000 0.287 0.000 1.092 43 I HN 0.501 nan 8.210 nan 0.000 0.442 44 Y N 1.657 122.029 120.300 0.120 0.000 2.488 44 Y HA 0.196 4.746 4.550 0.000 0.000 0.319 44 Y C 1.771 177.707 175.900 0.059 0.000 1.212 44 Y CA 0.346 58.494 58.100 0.081 0.000 1.273 44 Y CB -0.142 38.349 38.460 0.051 0.000 1.074 44 Y HN 0.108 nan 8.280 nan 0.000 0.503 45 G N -2.533 106.316 108.800 0.081 0.000 2.626 45 G HA2 -0.105 3.855 3.960 0.000 0.000 0.193 45 G HA3 -0.105 3.855 3.960 0.000 0.000 0.193 45 G C 0.833 175.707 174.900 -0.042 0.000 1.195 45 G CA -0.225 44.861 45.100 -0.024 0.000 0.864 45 G HN 0.506 nan 8.290 nan 0.000 0.790 46 W N 1.514 122.831 121.300 0.029 0.000 2.421 46 W HA 0.121 4.782 4.660 0.000 0.000 0.270 46 W C 2.235 178.764 176.519 0.017 0.000 1.233 46 W CA 0.334 57.711 57.345 0.052 0.000 1.226 46 W CB 0.007 29.512 29.460 0.075 0.000 1.121 46 W HN 0.087 nan 8.180 nan 0.000 0.579 47 L N -0.941 120.383 121.223 0.168 0.000 1.961 47 L HA -0.265 4.076 4.340 0.000 0.000 0.210 47 L C 2.286 179.154 176.870 -0.002 0.000 1.072 47 L CA 1.148 56.016 54.840 0.048 0.000 0.749 47 L CB -1.582 40.445 42.059 -0.053 0.000 0.889 47 L HN -0.207 nan 8.230 nan 0.000 0.432 48 V N -0.127 119.769 119.914 -0.030 0.000 2.370 48 V HA -0.348 3.773 4.120 0.000 0.000 0.252 48 V C 2.557 178.603 176.094 -0.081 0.000 1.068 48 V CA 2.462 64.738 62.300 -0.039 0.000 1.061 48 V CB -0.896 30.945 31.823 0.031 0.000 0.656 48 V HN 0.544 nan 8.190 nan 0.000 0.455 49 T N -0.115 114.415 114.554 -0.040 0.000 2.668 49 T HA -0.055 4.295 4.350 0.000 0.000 0.262 49 T C 1.845 176.465 174.700 -0.134 0.000 1.045 49 T CA 1.681 63.738 62.100 -0.071 0.000 1.152 49 T CB -0.250 68.663 68.868 0.076 0.000 0.864 49 T HN 0.316 nan 8.240 nan 0.000 0.419 50 I N 0.640 121.238 120.570 0.045 0.000 2.264 50 I HA -0.150 4.020 4.170 0.000 0.000 0.248 50 I C 2.314 178.311 176.117 -0.200 0.000 1.111 50 I CA 1.245 62.500 61.300 -0.074 0.000 1.382 50 I CB -0.381 37.663 38.000 0.074 0.000 1.060 50 I HN 0.244 nan 8.210 nan 0.000 0.418 51 I N 0.540 121.017 120.570 -0.154 0.000 2.142 51 I HA -0.231 3.939 4.170 0.000 0.000 0.240 51 I C 2.674 178.648 176.117 -0.238 0.000 1.078 51 I CA 1.816 63.018 61.300 -0.163 0.000 1.343 51 I CB -0.855 37.073 38.000 -0.121 0.000 1.046 51 I HN 0.253 nan 8.210 nan 0.000 0.405 52 G N 0.200 108.793 108.800 -0.345 0.000 2.418 52 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 52 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 52 G C 1.803 176.341 174.900 -0.603 0.000 1.158 52 G CA 0.811 45.623 45.100 -0.480 0.000 0.771 52 G HN 0.506 nan 8.290 nan 0.000 0.545 53 A N 0.038 122.386 122.820 -0.787 0.000 1.968 53 A HA 0.177 4.497 4.320 0.000 0.000 0.217 53 A C 2.305 179.693 177.584 -0.327 0.000 1.169 53 A CA 1.286 53.003 52.037 -0.533 0.000 0.638 53 A CB -0.318 18.240 19.000 -0.737 0.000 0.812 53 A HN 0.332 nan 8.150 nan 0.000 0.446 54 L N -0.378 120.654 121.223 -0.319 0.000 2.093 54 L HA -0.021 4.320 4.340 0.000 0.000 0.208 54 L C 2.766 179.569 176.870 -0.112 0.000 1.085 54 L CA 1.718 56.437 54.840 -0.202 0.000 0.755 54 L CB -0.662 41.294 42.059 -0.171 0.000 0.904 54 L HN 0.363 nan 8.230 nan 0.000 0.435 55 A N -1.018 121.736 122.820 -0.109 0.000 1.940 55 A HA -0.201 4.120 4.320 0.000 0.000 0.219 55 A C 2.336 179.914 177.584 -0.009 0.000 1.176 55 A CA 1.833 53.838 52.037 -0.054 0.000 0.631 55 A CB -0.741 18.222 19.000 -0.062 0.000 0.814 55 A HN 0.441 nan 8.150 nan 0.000 0.446 56 L N 0.223 121.456 121.223 0.017 0.000 2.072 56 L HA -0.155 4.186 4.340 0.000 0.000 0.205 56 L C 3.030 179.979 176.870 0.131 0.000 1.079 56 L CA 1.676 56.566 54.840 0.083 0.000 0.752 56 L CB -0.327 41.788 42.059 0.095 0.000 0.906 56 L HN 0.637 nan 8.230 nan 0.000 0.436 57 S N -0.709 115.025 115.700 0.057 0.000 2.419 57 S HA -0.213 4.257 4.470 0.000 0.000 0.233 57 S C 1.928 176.580 174.600 0.087 0.000 1.016 57 S CA 0.999 59.241 58.200 0.070 0.000 0.974 57 S CB -0.243 62.952 63.200 -0.010 0.000 0.786 57 S HN 0.275 nan 8.310 nan 0.000 0.492 58 M N 1.389 121.022 119.600 0.056 0.000 2.064 58 M HA 0.018 4.499 4.480 0.000 0.000 0.260 58 M C 2.409 178.753 176.300 0.074 0.000 1.073 58 M CA 1.088 56.427 55.300 0.065 0.000 1.124 58 M CB -1.699 30.933 32.600 0.053 0.000 1.326 58 M HN 0.261 nan 8.290 nan 0.000 0.410 59 V N -0.205 119.736 119.914 0.044 0.000 2.231 59 V HA -0.319 3.801 4.120 0.000 0.000 0.250 59 V C 2.315 178.370 176.094 -0.065 0.000 1.058 59 V CA 2.115 64.389 62.300 -0.042 0.000 1.022 59 V CB -1.099 30.660 31.823 -0.106 0.000 0.640 59 V HN 0.282 nan 8.190 nan 0.000 0.445 60 Y N 0.289 120.594 120.300 0.008 0.000 2.224 60 Y HA -0.157 4.393 4.550 0.000 0.000 0.289 60 Y C 2.463 178.367 175.900 0.008 0.000 1.146 60 Y CA 1.444 59.566 58.100 0.037 0.000 1.182 60 Y CB -0.689 37.833 38.460 0.104 0.000 0.983 60 Y HN 0.200 nan 8.280 nan 0.000 0.524 61 A N -0.287 122.628 122.820 0.158 0.000 1.902 61 A HA -0.222 4.098 4.320 0.000 0.000 0.217 61 A C 2.122 179.723 177.584 0.028 0.000 1.181 61 A CA 2.018 54.109 52.037 0.091 0.000 0.623 61 A CB -0.476 18.570 19.000 0.077 0.000 0.818 61 A HN 0.308 nan 8.150 nan 0.000 0.443 62 K N -0.858 119.537 120.400 -0.007 0.000 2.031 62 K HA -0.013 4.307 4.320 0.000 0.000 0.205 62 K C 1.868 178.351 176.600 -0.194 0.000 1.049 62 K CA 1.763 58.005 56.287 -0.075 0.000 0.939 62 K CB -0.444 31.995 32.500 -0.102 0.000 0.717 62 K HN 0.265 nan 8.250 nan 0.000 0.438 63 M N 0.786 120.219 119.600 -0.280 0.000 2.213 63 M HA -0.097 4.383 4.480 0.000 0.000 0.263 63 M C 1.653 177.632 176.300 -0.535 0.000 1.062 63 M CA 1.933 56.920 55.300 -0.523 0.000 1.105 63 M CB -0.410 31.748 32.600 -0.738 0.000 1.385 63 M HN 0.295 nan 8.290 nan 0.000 0.417 64 S N -1.621 113.944 115.700 -0.225 0.000 2.470 64 S HA -0.022 4.448 4.470 0.000 0.000 0.225 64 S C 1.908 176.483 174.600 -0.042 0.000 1.006 64 S CA 0.769 58.953 58.200 -0.026 0.000 0.934 64 S CB -0.956 62.326 63.200 0.136 0.000 0.778 64 S HN 0.629 nan 8.310 nan 0.000 0.517 65 S N 1.870 117.522 115.700 -0.079 0.000 2.436 65 S HA 0.196 4.666 4.470 0.000 0.000 0.228 65 S C 1.719 176.253 174.600 -0.110 0.000 1.014 65 S CA 0.325 58.488 58.200 -0.061 0.000 0.950 65 S CB -0.715 62.463 63.200 -0.037 0.000 0.784 65 S HN 0.532 nan 8.310 nan 0.000 0.504 66 L N 0.584 121.685 121.223 -0.204 0.000 2.375 66 L HA 0.327 4.668 4.340 0.000 0.000 0.215 66 L C 0.188 176.927 176.870 -0.219 0.000 1.108 66 L CA 0.512 55.176 54.840 -0.294 0.000 0.830 66 L CB -0.095 41.677 42.059 -0.478 0.000 0.959 66 L HN 0.310 nan 8.230 nan 0.000 0.457 67 D N -0.332 119.975 120.400 -0.155 0.000 2.362 67 D HA 0.181 4.821 4.640 0.000 0.000 0.232 67 D C -2.735 173.615 176.300 0.084 0.000 1.329 67 D CA -1.442 52.532 54.000 -0.043 0.000 0.944 67 D CB 1.431 42.207 40.800 -0.041 0.000 1.471 67 D HN -0.253 nan 8.370 nan 0.000 0.533 68 P HA 0.244 nan 4.420 nan 0.000 0.271 68 P C -0.577 176.776 177.300 0.088 0.000 1.380 68 P CA -0.043 63.110 63.100 0.088 0.000 0.992 68 P CB 0.861 32.589 31.700 0.047 0.000 1.230 69 S N 4.952 120.719 115.700 0.112 0.000 2.722 69 S HA 0.370 4.840 4.470 0.000 0.000 0.292 69 S C -1.309 173.299 174.600 0.013 0.000 1.135 69 S CA -1.439 56.789 58.200 0.048 0.000 1.003 69 S CB 0.639 63.839 63.200 -0.000 0.000 1.067 69 S HN 0.214 nan 8.310 nan 0.000 0.546 70 P HA -0.058 nan 4.420 nan 0.000 0.219 70 P C 0.572 177.876 177.300 0.007 0.000 1.158 70 P CA 1.583 64.698 63.100 0.025 0.000 0.895 70 P CB -0.024 31.709 31.700 0.053 0.000 0.792 71 G N -3.888 104.899 108.800 -0.021 0.000 2.321 71 G HA2 0.463 4.423 3.960 0.000 0.000 0.296 71 G HA3 0.463 4.423 3.960 0.000 0.000 0.296 71 G C -0.587 174.231 174.900 -0.136 0.000 1.287 71 G CA -0.305 44.772 45.100 -0.039 0.000 0.846 71 G HN 0.298 nan 8.290 nan 0.000 0.508 72 G N -1.470 107.161 108.800 -0.281 0.000 2.641 72 G HA2 0.624 4.584 3.960 0.000 0.000 0.239 72 G HA3 0.624 4.584 3.960 0.000 0.000 0.239 72 G C 1.057 175.403 174.900 -0.924 0.000 1.402 72 G CA 1.248 46.090 45.100 -0.430 0.000 1.046 72 G HN 1.897 nan 8.290 nan 0.000 0.565 73 S N -1.818 113.407 115.700 -0.792 0.000 4.155 73 S HA -0.416 4.054 4.470 0.000 0.000 0.542 73 S C 1.602 176.042 174.600 -0.267 0.000 1.863 73 S CA 2.300 60.343 58.200 -0.261 0.000 4.239 73 S CB -1.864 61.212 63.200 -0.207 0.000 0.331 73 S HN 1.470 nan 8.310 nan 0.000 0.461 74 Y N 2.679 122.806 120.300 -0.289 0.000 2.073 74 Y HA -0.306 4.244 4.550 0.000 0.000 0.270 74 Y C 2.306 178.098 175.900 -0.180 0.000 1.226 74 Y CA 3.328 61.309 58.100 -0.198 0.000 1.117 74 Y CB -1.206 37.131 38.460 -0.206 0.000 0.939 74 Y HN 0.502 nan 8.280 nan 0.000 0.504 75 A N -0.098 122.416 122.820 -0.509 0.000 1.851 75 A HA -0.218 4.102 4.320 0.000 0.000 0.216 75 A C 2.164 179.564 177.584 -0.305 0.000 1.195 75 A CA 1.915 53.645 52.037 -0.512 0.000 0.622 75 A CB -1.703 17.099 19.000 -0.330 0.000 0.831 75 A HN 0.765 nan 8.150 nan 0.000 0.444 76 Y N -0.243 119.947 120.300 -0.184 0.000 2.151 76 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 76 Y C 2.986 178.774 175.900 -0.186 0.000 1.166 76 Y CA 0.481 58.473 58.100 -0.180 0.000 1.163 76 Y CB -0.463 37.899 38.460 -0.163 0.000 0.974 76 Y HN 0.371 nan 8.280 nan 0.000 0.511 77 A N 0.635 123.445 122.820 -0.016 0.000 1.902 77 A HA -0.231 4.089 4.320 0.000 0.000 0.217 77 A C 2.242 179.764 177.584 -0.104 0.000 1.181 77 A CA 1.721 53.761 52.037 0.005 0.000 0.623 77 A CB -0.774 18.270 19.000 0.074 0.000 0.818 77 A HN 0.439 nan 8.150 nan 0.000 0.443 78 R N -0.278 120.064 120.500 -0.263 0.000 2.088 78 R HA -0.189 4.152 4.340 0.000 0.000 0.232 78 R C 2.465 178.665 176.300 -0.165 0.000 1.136 78 R CA 1.899 57.840 56.100 -0.264 0.000 0.926 78 R CB -0.347 29.684 30.300 -0.449 0.000 0.837 78 R HN 0.562 nan 8.270 nan 0.000 0.429 79 R N -0.035 120.365 120.500 -0.165 0.000 2.112 79 R HA -0.231 4.109 4.340 0.000 0.000 0.242 79 R C 2.656 178.839 176.300 -0.195 0.000 1.137 79 R CA 1.863 57.876 56.100 -0.144 0.000 0.944 79 R CB -1.189 29.037 30.300 -0.125 0.000 0.857 79 R HN 0.408 nan 8.270 nan 0.000 0.435 80 C N -0.089 119.048 119.300 -0.271 0.000 2.388 80 C HA -0.146 4.314 4.460 0.000 0.000 0.277 80 C C 2.194 176.828 174.990 -0.592 0.000 1.210 80 C CA 0.985 59.693 59.018 -0.518 0.000 1.743 80 C CB -0.830 26.489 27.740 -0.702 0.000 2.047 80 C HN 0.495 nan 8.230 nan 0.000 0.458 81 F N 0.122 119.980 119.950 -0.153 0.000 2.720 81 F HA 0.430 4.957 4.527 0.000 0.000 0.301 81 F C 1.320 177.057 175.800 -0.104 0.000 1.103 81 F CA 0.722 58.630 58.000 -0.153 0.000 1.291 81 F CB 0.202 39.047 39.000 -0.259 0.000 1.086 81 F HN 0.613 nan 8.300 nan 0.000 0.592 82 G N 0.608 109.429 108.800 0.035 0.000 2.306 82 G HA2 -0.109 3.851 3.960 0.000 0.000 0.262 82 G HA3 -0.109 3.851 3.960 0.000 0.000 0.262 82 G C -2.488 172.422 174.900 0.018 0.000 1.263 82 G CA -0.431 44.685 45.100 0.027 0.000 1.088 82 G HN -0.171 nan 8.290 nan 0.000 0.489 83 P HA 0.156 nan 4.420 nan 0.000 0.217 83 P C 1.823 179.166 177.300 0.072 0.000 1.153 83 P CA 1.245 64.398 63.100 0.089 0.000 0.843 83 P CB -0.004 31.783 31.700 0.145 0.000 0.794 84 F N 1.460 121.327 119.950 -0.139 0.000 2.043 84 F HA -0.195 4.332 4.527 0.000 0.000 0.297 84 F C 1.735 177.406 175.800 -0.215 0.000 1.121 84 F CA 1.673 59.410 58.000 -0.439 0.000 1.199 84 F CB -1.322 37.454 39.000 -0.373 0.000 0.968 84 F HN -0.298 nan 8.300 nan 0.000 0.478 85 L N 0.547 121.534 121.223 -0.393 0.000 2.275 85 L HA 0.020 4.360 4.340 0.000 0.000 0.215 85 L C 2.765 179.510 176.870 -0.207 0.000 1.119 85 L CA 1.467 56.026 54.840 -0.467 0.000 0.790 85 L CB -1.653 40.149 42.059 -0.428 0.000 0.919 85 L HN 0.328 nan 8.230 nan 0.000 0.443 86 G N -1.217 107.522 108.800 -0.102 0.000 2.434 86 G HA2 -0.354 3.606 3.960 0.000 0.000 0.214 86 G HA3 -0.354 3.606 3.960 0.000 0.000 0.214 86 G C 1.643 176.681 174.900 0.230 0.000 1.202 86 G CA 0.812 45.899 45.100 -0.020 0.000 0.788 86 G HN 0.438 nan 8.290 nan 0.000 0.539 87 Y N 1.109 121.441 120.300 0.053 0.000 2.102 87 Y HA -0.299 4.252 4.550 0.000 0.000 0.280 87 Y C 2.897 178.756 175.900 -0.068 0.000 1.178 87 Y CA 2.683 60.796 58.100 0.021 0.000 1.146 87 Y CB -0.230 38.181 38.460 -0.082 0.000 0.968 87 Y HN 0.353 nan 8.280 nan 0.000 0.504 88 Q N -0.471 119.111 119.800 -0.363 0.000 2.050 88 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 88 Q C 2.070 177.912 176.000 -0.264 0.000 0.980 88 Q CA 2.301 57.833 55.803 -0.452 0.000 0.840 88 Q CB -0.285 28.140 28.738 -0.521 0.000 0.898 88 Q HN 0.507 nan 8.270 nan 0.000 0.424 89 T N 1.007 115.501 114.554 -0.100 0.000 2.759 89 T HA -0.190 4.160 4.350 0.000 0.000 0.269 89 T C 1.451 176.145 174.700 -0.010 0.000 1.042 89 T CA 1.506 63.617 62.100 0.017 0.000 1.140 89 T CB -0.428 68.520 68.868 0.134 0.000 0.864 89 T HN 0.471 nan 8.240 nan 0.000 0.455 90 N N 0.810 119.468 118.700 -0.071 0.000 2.039 90 N HA -0.116 4.624 4.740 0.000 0.000 0.193 90 N C 1.740 177.115 175.510 -0.224 0.000 1.044 90 N CA 1.654 54.557 53.050 -0.245 0.000 0.847 90 N CB -0.468 37.670 38.487 -0.582 0.000 1.030 90 N HN 0.183 nan 8.380 nan 0.000 0.422 91 V N 1.301 121.028 119.914 -0.311 0.000 2.231 91 V HA -0.274 3.846 4.120 0.000 0.000 0.248 91 V C 2.481 178.549 176.094 -0.042 0.000 1.054 91 V CA 1.851 64.070 62.300 -0.136 0.000 1.015 91 V CB -1.020 30.671 31.823 -0.220 0.000 0.638 91 V HN 0.365 nan 8.190 nan 0.000 0.444 92 L N -1.255 119.857 121.223 -0.185 0.000 2.013 92 L HA -0.267 4.073 4.340 0.000 0.000 0.212 92 L C 2.566 179.419 176.870 -0.028 0.000 1.073 92 L CA 2.529 57.203 54.840 -0.276 0.000 0.753 92 L CB -0.781 41.100 42.059 -0.298 0.000 0.890 92 L HN 0.419 nan 8.230 nan 0.000 0.432 93 Y N -0.742 119.521 120.300 -0.061 0.000 2.263 93 Y HA -0.274 4.276 4.550 0.000 0.000 0.292 93 Y C 2.406 178.328 175.900 0.036 0.000 1.130 93 Y CA 1.174 59.270 58.100 -0.007 0.000 1.179 93 Y CB -0.294 38.153 38.460 -0.023 0.000 0.998 93 Y HN 0.207 nan 8.280 nan 0.000 0.532 94 W N 0.881 122.149 121.300 -0.052 0.000 2.358 94 W HA -0.237 4.423 4.660 0.000 0.000 0.303 94 W C 1.642 178.095 176.519 -0.111 0.000 1.208 94 W CA 2.314 59.616 57.345 -0.071 0.000 1.274 94 W CB -0.593 28.764 29.460 -0.171 0.000 1.138 94 W HN 0.091 nan 8.180 nan 0.000 0.515 95 L N 0.595 121.652 121.223 -0.278 0.000 2.017 95 L HA -0.180 4.160 4.340 0.000 0.000 0.208 95 L C 2.720 179.065 176.870 -0.874 0.000 1.073 95 L CA 1.530 55.893 54.840 -0.795 0.000 0.745 95 L CB -1.510 40.359 42.059 -0.316 0.000 0.894 95 L HN 0.078 nan 8.230 nan 0.000 0.432 96 A N -1.150 121.407 122.820 -0.438 0.000 2.131 96 A HA -0.215 4.105 4.320 0.000 0.000 0.220 96 A C 2.353 179.592 177.584 -0.574 0.000 1.158 96 A CA 1.697 53.473 52.037 -0.435 0.000 0.665 96 A CB -0.993 17.859 19.000 -0.247 0.000 0.795 96 A HN 0.558 nan 8.150 nan 0.000 0.460 97 C N -1.251 117.718 119.300 -0.552 0.000 2.518 97 C HA -0.042 4.418 4.460 0.000 0.000 0.279 97 C C 2.576 177.393 174.990 -0.288 0.000 1.279 97 C CA 0.647 59.491 59.018 -0.291 0.000 1.703 97 C CB -1.255 26.436 27.740 -0.082 0.000 2.072 97 C HN 0.953 nan 8.230 nan 0.000 0.487 98 W N 0.272 121.320 121.300 -0.420 0.000 2.704 98 W HA 0.289 4.949 4.660 0.000 0.000 0.266 98 W C 1.692 177.981 176.519 -0.384 0.000 1.266 98 W CA 0.281 57.390 57.345 -0.393 0.000 1.377 98 W CB -1.131 28.055 29.460 -0.458 0.000 1.082 98 W HN 0.193 nan 8.180 nan 0.000 0.608 99 I N 2.044 121.984 120.570 -1.049 0.000 2.493 99 I HA -0.091 4.079 4.170 0.000 0.000 0.254 99 I C 2.632 178.449 176.117 -0.500 0.000 1.160 99 I CA 1.749 62.550 61.300 -0.832 0.000 1.445 99 I CB -0.862 36.528 38.000 -1.016 0.000 1.086 99 I HN 0.058 nan 8.210 nan 0.000 0.433 100 G N 0.078 108.557 108.800 -0.535 0.000 2.712 100 G HA2 -0.143 3.817 3.960 0.000 0.000 0.212 100 G HA3 -0.143 3.817 3.960 0.000 0.000 0.212 100 G C 1.297 175.932 174.900 -0.441 0.000 1.142 100 G CA 0.135 44.931 45.100 -0.505 0.000 0.789 100 G HN 0.259 nan 8.290 nan 0.000 0.535 101 N N 0.839 119.334 118.700 -0.342 0.000 2.300 101 N HA -0.008 4.732 4.740 0.000 0.000 0.179 101 N C 2.317 177.720 175.510 -0.179 0.000 1.016 101 N CA 0.502 53.407 53.050 -0.242 0.000 0.876 101 N CB -0.120 38.286 38.487 -0.135 0.000 0.979 101 N HN 0.479 nan 8.380 nan 0.000 0.432 102 I N -1.016 119.468 120.570 -0.143 0.000 2.361 102 I HA -0.109 4.061 4.170 0.000 0.000 0.251 102 I C 1.870 177.916 176.117 -0.118 0.000 1.133 102 I CA 1.078 62.320 61.300 -0.097 0.000 1.413 102 I CB -0.500 37.474 38.000 -0.043 0.000 1.073 102 I HN -0.026 nan 8.210 nan 0.000 0.424 103 A N 0.888 123.611 122.820 -0.162 0.000 2.169 103 A HA 0.122 4.443 4.320 0.000 0.000 0.212 103 A C 2.321 179.803 177.584 -0.170 0.000 1.153 103 A CA 0.612 52.552 52.037 -0.162 0.000 0.756 103 A CB -0.272 18.614 19.000 -0.189 0.000 0.813 103 A HN 0.346 nan 8.150 nan 0.000 0.471 104 M N -0.193 119.295 119.600 -0.187 0.000 2.435 104 M HA -0.038 4.442 4.480 0.000 0.000 0.265 104 M C 2.020 178.227 176.300 -0.156 0.000 1.104 104 M CA 1.203 56.389 55.300 -0.190 0.000 1.140 104 M CB -0.379 32.090 32.600 -0.219 0.000 1.372 104 M HN 0.371 nan 8.290 nan 0.000 0.456 105 V N -2.507 117.332 119.914 -0.124 0.000 2.407 105 V HA -0.079 4.041 4.120 0.000 0.000 0.245 105 V C 2.361 178.421 176.094 -0.057 0.000 1.041 105 V CA 0.939 63.191 62.300 -0.081 0.000 1.040 105 V CB -1.471 30.319 31.823 -0.055 0.000 0.671 105 V HN 0.151 nan 8.190 nan 0.000 0.455 106 V N 0.579 120.454 119.914 -0.066 0.000 2.231 106 V HA -0.260 3.860 4.120 0.000 0.000 0.248 106 V C 2.490 178.560 176.094 -0.041 0.000 1.054 106 V CA 2.614 64.884 62.300 -0.050 0.000 1.015 106 V CB -0.655 31.130 31.823 -0.064 0.000 0.638 106 V HN 0.437 nan 8.190 nan 0.000 0.444 107 I N 0.941 121.463 120.570 -0.079 0.000 2.394 107 I HA -0.069 4.102 4.170 0.000 0.000 0.251 107 I C 2.431 178.468 176.117 -0.133 0.000 1.136 107 I CA 1.552 62.803 61.300 -0.082 0.000 1.425 107 I CB -1.228 36.663 38.000 -0.181 0.000 1.079 107 I HN 0.274 nan 8.210 nan 0.000 0.425 108 G N 0.083 108.795 108.800 -0.148 0.000 2.484 108 G HA2 -0.190 3.771 3.960 0.000 0.000 0.215 108 G HA3 -0.190 3.771 3.960 0.000 0.000 0.215 108 G C 1.755 176.672 174.900 0.027 0.000 1.219 108 G CA 1.106 46.129 45.100 -0.127 0.000 0.791 108 G HN 0.261 nan 8.290 nan 0.000 0.550 109 V N 1.687 121.630 119.914 0.049 0.000 2.490 109 V HA -0.044 4.076 4.120 0.000 0.000 0.250 109 V C 2.888 179.071 176.094 0.149 0.000 1.061 109 V CA 1.638 63.995 62.300 0.095 0.000 1.064 109 V CB -0.866 30.994 31.823 0.060 0.000 0.670 109 V HN 0.454 nan 8.190 nan 0.000 0.461 110 G N -2.495 106.395 108.800 0.150 0.000 3.028 110 G HA2 -0.162 3.798 3.960 0.000 0.000 0.205 110 G HA3 -0.162 3.798 3.960 0.000 0.000 0.205 110 G C 0.924 176.128 174.900 0.506 0.000 1.182 110 G CA 0.224 45.440 45.100 0.194 0.000 0.860 110 G HN 0.542 nan 8.290 nan 0.000 0.507 111 Y N -1.124 119.278 120.300 0.170 0.000 2.430 111 Y HA 0.380 4.930 4.550 0.000 0.000 0.254 111 Y C 2.217 178.260 175.900 0.238 0.000 1.088 111 Y CA -0.515 57.705 58.100 0.200 0.000 1.267 111 Y CB 0.348 38.885 38.460 0.127 0.000 1.204 111 Y HN 0.107 nan 8.280 nan 0.000 0.515 112 L N -0.901 120.539 121.223 0.361 0.000 2.189 112 L HA -0.019 4.321 4.340 0.000 0.000 0.199 112 L C 2.015 179.061 176.870 0.293 0.000 1.074 112 L CA 1.351 56.381 54.840 0.317 0.000 0.783 112 L CB -0.515 41.669 42.059 0.209 0.000 0.955 112 L HN 0.064 nan 8.230 nan 0.000 0.460 113 S N -1.822 114.013 115.700 0.224 0.000 2.701 113 S HA -0.040 4.430 4.470 0.000 0.000 0.220 113 S C 1.431 176.172 174.600 0.234 0.000 0.954 113 S CA 0.030 58.342 58.200 0.187 0.000 0.936 113 S CB -0.293 62.966 63.200 0.099 0.000 0.777 113 S HN 0.296 nan 8.310 nan 0.000 0.518 114 Y N 1.031 121.426 120.300 0.159 0.000 2.509 114 Y HA 0.451 5.001 4.550 0.000 0.000 0.270 114 Y C 0.084 176.089 175.900 0.176 0.000 1.103 114 Y CA -1.434 56.736 58.100 0.116 0.000 1.278 114 Y CB 0.233 38.721 38.460 0.047 0.000 1.087 114 Y HN 0.463 nan 8.280 nan 0.000 0.542 115 F N 0.552 120.637 119.950 0.225 0.000 2.550 115 F HA 0.332 4.859 4.527 0.000 0.000 0.348 115 F C -0.565 175.445 175.800 0.350 0.000 1.219 115 F CA -0.344 57.734 58.000 0.131 0.000 1.203 115 F CB 0.030 38.982 39.000 -0.080 0.000 1.436 115 F HN -0.055 nan 8.300 nan 0.000 0.541 116 F N 1.956 121.794 119.950 -0.187 0.000 1.798 116 F HA 0.273 4.800 4.527 0.000 0.000 0.311 116 F C -2.198 173.526 175.800 -0.127 0.000 1.089 116 F CA -0.112 57.773 58.000 -0.192 0.000 1.238 116 F CB -0.086 38.914 39.000 -0.001 0.000 1.668 116 F HN 0.054 nan 8.300 nan 0.000 0.415 117 P HA 0.492 nan 4.420 nan 0.000 0.258 117 P C 0.718 178.168 177.300 0.251 0.000 1.589 117 P CA -0.216 63.024 63.100 0.235 0.000 1.149 117 P CB 0.927 32.718 31.700 0.153 0.000 1.369 118 I N 1.173 121.937 120.570 0.322 0.000 3.107 118 I HA -0.299 3.871 4.170 0.000 0.000 0.193 118 I C 0.763 176.954 176.117 0.123 0.000 0.855 118 I CA 1.847 63.262 61.300 0.192 0.000 1.147 118 I CB -0.525 37.506 38.000 0.052 0.000 0.875 118 I HN 0.259 nan 8.210 nan 0.000 0.338 119 L N -1.342 119.932 121.223 0.085 0.000 2.469 119 L HA 0.303 4.643 4.340 0.000 0.000 0.256 119 L C 0.091 176.981 176.870 0.033 0.000 1.006 119 L CA -0.600 54.272 54.840 0.054 0.000 0.832 119 L CB 2.316 44.400 42.059 0.041 0.000 1.421 119 L HN 0.084 nan 8.230 nan 0.000 0.410 120 K N -1.215 119.193 120.400 0.013 0.000 2.550 120 K HA 0.207 4.527 4.320 0.000 0.000 0.205 120 K C -0.508 176.078 176.600 -0.024 0.000 1.429 120 K CA -0.597 55.677 56.287 -0.021 0.000 0.997 120 K CB 0.574 33.056 32.500 -0.029 0.000 1.328 120 K HN 0.408 nan 8.250 nan 0.000 0.546 121 D N 2.726 123.121 120.400 -0.007 0.000 2.390 121 D HA 0.006 4.646 4.640 0.000 0.000 0.236 121 D C -1.737 174.562 176.300 -0.002 0.000 1.189 121 D CA -1.297 52.699 54.000 -0.006 0.000 0.887 121 D CB 0.327 41.127 40.800 0.001 0.000 1.198 121 D HN -0.186 nan 8.370 nan 0.000 0.444 122 P HA -0.167 nan 4.420 nan 0.000 0.206 122 P C 1.397 178.712 177.300 0.024 0.000 1.142 122 P CA 1.137 64.240 63.100 0.006 0.000 0.946 122 P CB 0.088 31.789 31.700 0.002 0.000 0.777 123 L N -1.603 119.634 121.223 0.023 0.000 2.633 123 L HA -0.074 4.267 4.340 0.000 0.000 0.235 123 L C 1.927 178.824 176.870 0.044 0.000 1.163 123 L CA 0.407 55.268 54.840 0.036 0.000 0.859 123 L CB -0.485 41.581 42.059 0.011 0.000 0.973 123 L HN -0.082 nan 8.230 nan 0.000 0.451 124 V N -0.839 119.096 119.914 0.035 0.000 2.672 124 V HA -0.131 3.989 4.120 0.000 0.000 0.242 124 V C 1.987 178.107 176.094 0.043 0.000 1.059 124 V CA 0.842 63.163 62.300 0.036 0.000 1.081 124 V CB 0.168 32.005 31.823 0.024 0.000 0.752 124 V HN 0.329 nan 8.190 nan 0.000 0.472 125 L N -0.161 121.083 121.223 0.034 0.000 2.179 125 L HA -0.095 4.245 4.340 0.000 0.000 0.208 125 L C 2.527 179.427 176.870 0.050 0.000 1.096 125 L CA 1.710 56.569 54.840 0.032 0.000 0.779 125 L CB -0.137 41.926 42.059 0.006 0.000 0.922 125 L HN 0.407 nan 8.230 nan 0.000 0.443 126 T N -0.621 113.975 114.554 0.071 0.000 2.915 126 T HA -0.104 4.246 4.350 0.000 0.000 0.269 126 T C 1.756 176.538 174.700 0.137 0.000 1.071 126 T CA 1.081 63.246 62.100 0.107 0.000 1.132 126 T CB -0.073 68.898 68.868 0.171 0.000 0.878 126 T HN 0.295 nan 8.240 nan 0.000 0.479 127 L N 0.696 121.999 121.223 0.133 0.000 2.162 127 L HA 0.045 4.386 4.340 0.000 0.000 0.205 127 L C 2.957 179.889 176.870 0.103 0.000 1.086 127 L CA 1.527 56.451 54.840 0.140 0.000 0.778 127 L CB -0.678 41.451 42.059 0.117 0.000 0.928 127 L HN 0.360 nan 8.230 nan 0.000 0.446 128 T N -3.950 110.652 114.554 0.080 0.000 2.995 128 T HA -0.116 4.234 4.350 0.000 0.000 0.269 128 T C 1.904 176.652 174.700 0.081 0.000 1.091 128 T CA 0.625 62.769 62.100 0.074 0.000 1.128 128 T CB -0.660 68.243 68.868 0.059 0.000 0.891 128 T HN 0.261 nan 8.240 nan 0.000 0.492 129 C N 0.880 120.221 119.300 0.069 0.000 2.518 129 C HA 0.103 4.563 4.460 0.000 0.000 0.279 129 C C 2.896 177.929 174.990 0.070 0.000 1.279 129 C CA 0.086 59.137 59.018 0.055 0.000 1.703 129 C CB -1.060 26.693 27.740 0.022 0.000 2.072 129 C HN 0.423 nan 8.230 nan 0.000 0.487 130 V N 1.615 121.568 119.914 0.065 0.000 2.380 130 V HA -0.262 3.858 4.120 0.000 0.000 0.251 130 V C 2.650 178.893 176.094 0.249 0.000 1.063 130 V CA 2.302 64.670 62.300 0.114 0.000 1.055 130 V CB -1.247 30.608 31.823 0.054 0.000 0.657 130 V HN 0.624 nan 8.190 nan 0.000 0.455 131 A N -0.673 122.253 122.820 0.176 0.000 1.877 131 A HA -0.178 4.142 4.320 0.000 0.000 0.216 131 A C 2.430 180.132 177.584 0.197 0.000 1.186 131 A CA 2.074 54.213 52.037 0.171 0.000 0.620 131 A CB -0.765 18.298 19.000 0.106 0.000 0.822 131 A HN 0.357 nan 8.150 nan 0.000 0.443 132 V N -0.193 119.826 119.914 0.176 0.000 2.809 132 V HA -0.095 4.026 4.120 0.000 0.000 0.256 132 V C 2.238 178.512 176.094 0.300 0.000 1.080 132 V CA 1.325 63.759 62.300 0.224 0.000 1.102 132 V CB -0.406 31.548 31.823 0.218 0.000 0.705 132 V HN 0.562 nan 8.190 nan 0.000 0.475 133 L N -1.433 119.910 121.223 0.200 0.000 1.961 133 L HA -0.178 4.163 4.340 0.000 0.000 0.210 133 L C 2.335 179.262 176.870 0.095 0.000 1.072 133 L CA 2.530 57.428 54.840 0.097 0.000 0.749 133 L CB -0.547 41.480 42.059 -0.054 0.000 0.889 133 L HN 0.416 nan 8.230 nan 0.000 0.432 134 W N -0.142 121.204 121.300 0.076 0.000 2.421 134 W HA -0.144 4.516 4.660 0.000 0.000 0.270 134 W C 2.333 178.879 176.519 0.046 0.000 1.233 134 W CA 0.560 57.937 57.345 0.053 0.000 1.226 134 W CB -0.381 29.093 29.460 0.023 0.000 1.121 134 W HN 0.105 nan 8.180 nan 0.000 0.579 135 I N -1.260 119.453 120.570 0.238 0.000 2.454 135 I HA -0.293 3.877 4.170 0.000 0.000 0.254 135 I C 1.590 177.636 176.117 -0.118 0.000 1.156 135 I CA 1.351 62.675 61.300 0.039 0.000 1.433 135 I CB -0.373 37.613 38.000 -0.024 0.000 1.082 135 I HN -0.056 nan 8.210 nan 0.000 0.432 136 F N -1.089 118.894 119.950 0.054 0.000 2.656 136 F HA 0.038 4.566 4.527 0.000 0.000 0.291 136 F C 2.128 177.936 175.800 0.013 0.000 1.122 136 F CA 0.308 58.326 58.000 0.030 0.000 1.427 136 F CB -0.151 38.861 39.000 0.019 0.000 1.125 136 F HN -0.270 nan 8.300 nan 0.000 0.583 137 V N 0.439 120.435 119.914 0.136 0.000 2.626 137 V HA -0.245 3.875 4.120 0.000 0.000 0.252 137 V C 2.126 178.272 176.094 0.087 0.000 1.067 137 V CA 1.525 63.844 62.300 0.031 0.000 1.081 137 V CB -0.488 31.220 31.823 -0.191 0.000 0.686 137 V HN 0.323 nan 8.190 nan 0.000 0.468 138 L N -1.014 120.280 121.223 0.119 0.000 2.131 138 L HA -0.036 4.304 4.340 0.000 0.000 0.206 138 L C 2.263 179.166 176.870 0.054 0.000 1.087 138 L CA 1.074 55.975 54.840 0.101 0.000 0.767 138 L CB -0.405 41.714 42.059 0.100 0.000 0.917 138 L HN 0.269 nan 8.230 nan 0.000 0.441 139 L N 0.063 121.301 121.223 0.026 0.000 2.201 139 L HA -0.176 4.165 4.340 0.000 0.000 0.212 139 L C 2.250 179.151 176.870 0.051 0.000 1.105 139 L CA 0.820 55.666 54.840 0.011 0.000 0.775 139 L CB -0.534 41.499 42.059 -0.044 0.000 0.913 139 L HN 0.370 nan 8.230 nan 0.000 0.440 140 N N 0.895 119.641 118.700 0.077 0.000 2.290 140 N HA -0.115 4.625 4.740 0.000 0.000 0.179 140 N C 1.634 177.183 175.510 0.065 0.000 1.016 140 N CA 0.849 53.947 53.050 0.079 0.000 0.871 140 N CB 0.040 38.582 38.487 0.093 0.000 0.987 140 N HN 0.269 nan 8.380 nan 0.000 0.431 141 I N -0.080 120.529 120.570 0.065 0.000 3.334 141 I HA 0.025 4.195 4.170 0.000 0.000 0.282 141 I C -0.150 175.996 176.117 0.050 0.000 1.313 141 I CA 0.455 61.791 61.300 0.060 0.000 1.396 141 I CB 0.279 38.321 38.000 0.069 0.000 1.054 141 I HN -0.106 nan 8.210 nan 0.000 0.495 142 V N 0.859 120.799 119.914 0.044 0.000 3.317 142 V HA 0.486 4.606 4.120 0.000 0.000 0.363 142 V C -0.303 175.809 176.094 0.029 0.000 1.205 142 V CA 0.243 62.563 62.300 0.034 0.000 1.598 142 V CB 0.689 32.530 31.823 0.030 0.000 0.958 142 V HN 0.351 nan 8.190 nan 0.000 0.534 143 G N 4.057 112.877 108.800 0.033 0.000 2.823 143 G HA2 0.051 4.011 3.960 0.000 0.000 0.235 143 G HA3 0.051 4.011 3.960 0.000 0.000 0.235 143 G C -2.296 172.626 174.900 0.036 0.000 3.696 143 G CA 0.119 45.237 45.100 0.030 0.000 0.652 143 G HN 0.429 nan 8.290 nan 0.000 0.431 144 P HA -0.065 nan 4.420 nan 0.000 0.218 144 P C 1.885 179.205 177.300 0.033 0.000 1.148 144 P CA 1.157 64.279 63.100 0.037 0.000 0.822 144 P CB 0.246 31.966 31.700 0.033 0.000 0.784 145 K N -1.299 119.118 120.400 0.029 0.000 2.116 145 K HA 0.017 4.337 4.320 0.000 0.000 0.203 145 K C 2.185 178.802 176.600 0.029 0.000 1.052 145 K CA 0.999 57.302 56.287 0.026 0.000 0.952 145 K CB -0.447 32.066 32.500 0.022 0.000 0.729 145 K HN 0.132 nan 8.250 nan 0.000 0.446 146 M N 1.184 120.801 119.600 0.028 0.000 2.132 146 M HA -0.116 4.364 4.480 0.000 0.000 0.263 146 M C 2.143 178.466 176.300 0.037 0.000 1.065 146 M CA 1.430 56.746 55.300 0.026 0.000 1.122 146 M CB 0.047 32.658 32.600 0.019 0.000 1.365 146 M HN 0.181 nan 8.290 nan 0.000 0.411 147 I N -0.148 120.453 120.570 0.050 0.000 2.439 147 I HA -0.225 3.945 4.170 0.000 0.000 0.251 147 I C 1.947 178.112 176.117 0.081 0.000 1.139 147 I CA 1.802 63.151 61.300 0.081 0.000 1.438 147 I CB -0.200 37.859 38.000 0.098 0.000 1.085 147 I HN 0.470 nan 8.210 nan 0.000 0.427 148 T N -1.594 112.993 114.554 0.054 0.000 2.951 148 T HA -0.103 4.247 4.350 0.000 0.000 0.268 148 T C 1.934 176.661 174.700 0.044 0.000 1.073 148 T CA 0.664 62.789 62.100 0.043 0.000 1.134 148 T CB -0.401 68.484 68.868 0.028 0.000 0.884 148 T HN 0.385 nan 8.240 nan 0.000 0.479 149 R N 0.732 121.258 120.500 0.043 0.000 2.062 149 R HA 0.029 4.369 4.340 0.000 0.000 0.231 149 R C 2.633 178.965 176.300 0.054 0.000 1.136 149 R CA 1.289 57.413 56.100 0.041 0.000 0.948 149 R CB -0.977 29.342 30.300 0.032 0.000 0.845 149 R HN 0.261 nan 8.270 nan 0.000 0.430 150 V N 1.400 121.354 119.914 0.068 0.000 2.252 150 V HA -0.339 3.781 4.120 0.000 0.000 0.249 150 V C 2.543 178.707 176.094 0.117 0.000 1.056 150 V CA 2.215 64.572 62.300 0.096 0.000 1.022 150 V CB -0.662 31.238 31.823 0.128 0.000 0.641 150 V HN 0.418 nan 8.190 nan 0.000 0.445 151 Q N -0.245 119.625 119.800 0.117 0.000 2.084 151 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 151 Q C 2.252 178.293 176.000 0.068 0.000 0.978 151 Q CA 1.911 57.771 55.803 0.095 0.000 0.844 151 Q CB -0.340 28.441 28.738 0.071 0.000 0.898 151 Q HN 0.636 nan 8.270 nan 0.000 0.426 152 A N -0.120 122.733 122.820 0.055 0.000 1.978 152 A HA -0.161 4.159 4.320 0.000 0.000 0.220 152 A C 2.152 179.765 177.584 0.048 0.000 1.170 152 A CA 1.668 53.731 52.037 0.044 0.000 0.636 152 A CB -0.626 18.396 19.000 0.036 0.000 0.810 152 A HN 0.325 nan 8.150 nan 0.000 0.448 153 V N -0.630 119.318 119.914 0.056 0.000 2.346 153 V HA -0.138 3.982 4.120 0.000 0.000 0.244 153 V C 3.011 179.145 176.094 0.067 0.000 1.037 153 V CA 1.776 64.111 62.300 0.057 0.000 1.029 153 V CB -1.093 30.764 31.823 0.057 0.000 0.663 153 V HN 0.592 nan 8.190 nan 0.000 0.454 154 A N 0.767 123.636 122.820 0.082 0.000 1.969 154 A HA -0.181 4.139 4.320 0.000 0.000 0.218 154 A C 2.434 180.064 177.584 0.076 0.000 1.169 154 A CA 2.229 54.319 52.037 0.090 0.000 0.635 154 A CB -0.827 18.241 19.000 0.112 0.000 0.810 154 A HN 0.636 nan 8.150 nan 0.000 0.445 155 T N -3.030 111.564 114.554 0.066 0.000 2.942 155 T HA -0.032 4.319 4.350 0.000 0.000 0.265 155 T C 1.660 176.392 174.700 0.054 0.000 1.062 155 T CA 1.274 63.408 62.100 0.057 0.000 1.139 155 T CB -0.497 68.400 68.868 0.047 0.000 0.883 155 T HN 0.043 nan 8.240 nan 0.000 0.468 156 V N 1.605 121.550 119.914 0.051 0.000 2.379 156 V HA -0.004 4.116 4.120 0.000 0.000 0.245 156 V C 2.728 178.855 176.094 0.055 0.000 1.044 156 V CA 1.246 63.574 62.300 0.047 0.000 1.036 156 V CB -0.727 31.122 31.823 0.042 0.000 0.664 156 V HN 0.433 nan 8.190 nan 0.000 0.453 157 L N 0.381 121.642 121.223 0.064 0.000 2.012 157 L HA -0.168 4.172 4.340 0.000 0.000 0.210 157 L C 2.682 179.601 176.870 0.082 0.000 1.073 157 L CA 1.769 56.653 54.840 0.074 0.000 0.748 157 L CB -0.837 41.272 42.059 0.083 0.000 0.891 157 L HN 0.359 nan 8.230 nan 0.000 0.431 158 A N -0.673 122.197 122.820 0.083 0.000 2.121 158 A HA -0.150 4.170 4.320 0.000 0.000 0.218 158 A C 2.115 179.750 177.584 0.084 0.000 1.154 158 A CA 1.198 53.290 52.037 0.091 0.000 0.679 158 A CB -0.391 18.661 19.000 0.087 0.000 0.795 158 A HN 0.325 nan 8.150 nan 0.000 0.458 159 L N -0.825 120.439 121.223 0.068 0.000 2.375 159 L HA 0.067 4.407 4.340 0.000 0.000 0.215 159 L C 2.203 179.106 176.870 0.056 0.000 1.108 159 L CA 0.926 55.800 54.840 0.057 0.000 0.830 159 L CB -0.189 41.895 42.059 0.042 0.000 0.959 159 L HN 0.131 nan 8.230 nan 0.000 0.457 160 V N 1.090 121.039 119.914 0.060 0.000 2.250 160 V HA -0.280 3.840 4.120 0.000 0.000 0.250 160 V C -0.088 176.040 176.094 0.057 0.000 1.060 160 V CA 2.497 64.830 62.300 0.056 0.000 1.030 160 V CB -1.788 30.072 31.823 0.061 0.000 0.643 160 V HN 0.371 nan 8.190 nan 0.000 0.445 161 P HA -0.092 nan 4.420 nan 0.000 0.213 161 P C 1.872 179.211 177.300 0.064 0.000 1.170 161 P CA 1.516 64.659 63.100 0.072 0.000 0.893 161 P CB -0.086 31.672 31.700 0.096 0.000 0.784 162 I N -0.953 119.657 120.570 0.067 0.000 2.208 162 I HA -0.191 3.979 4.170 0.000 0.000 0.245 162 I C 2.406 178.538 176.117 0.025 0.000 1.097 162 I CA 1.322 62.647 61.300 0.042 0.000 1.363 162 I CB -0.837 37.194 38.000 0.051 0.000 1.051 162 I HN -0.153 nan 8.210 nan 0.000 0.413 163 V N 1.132 121.066 119.914 0.033 0.000 2.667 163 V HA -0.087 4.033 4.120 0.000 0.000 0.252 163 V C 2.226 178.341 176.094 0.034 0.000 1.065 163 V CA 2.057 64.375 62.300 0.030 0.000 1.083 163 V CB -0.405 31.436 31.823 0.030 0.000 0.692 163 V HN 0.510 nan 8.190 nan 0.000 0.468 164 G N -0.142 108.679 108.800 0.035 0.000 2.572 164 G HA2 0.004 3.964 3.960 0.000 0.000 0.216 164 G HA3 0.004 3.964 3.960 0.000 0.000 0.216 164 G C 0.822 175.738 174.900 0.026 0.000 1.133 164 G CA 0.007 45.128 45.100 0.035 0.000 0.791 164 G HN 0.440 nan 8.290 nan 0.000 0.538 165 I N 1.720 122.296 120.570 0.010 0.000 2.213 165 I HA 0.467 4.638 4.170 0.000 0.000 0.295 165 I C 0.498 176.580 176.117 -0.057 0.000 1.172 165 I CA -0.266 61.012 61.300 -0.036 0.000 1.443 165 I CB -0.796 37.167 38.000 -0.063 0.000 1.491 165 I HN 0.158 nan 8.210 nan 0.000 0.652 166 A N 3.847 126.675 122.820 0.013 0.000 1.705 166 A HA 0.249 4.569 4.320 0.000 0.000 0.235 166 A C 0.089 177.798 177.584 0.209 0.000 2.307 166 A CA -0.641 51.497 52.037 0.169 0.000 2.049 166 A CB -0.770 18.394 19.000 0.273 0.000 0.440 166 A HN 0.244 nan 8.150 nan 0.000 0.939 167 V N 0.200 120.212 119.914 0.164 0.000 5.702 167 V HA -0.264 3.856 4.120 0.000 0.000 0.268 167 V C 0.945 177.101 176.094 0.104 0.000 0.689 167 V CA 2.122 64.490 62.300 0.113 0.000 0.965 167 V CB -2.106 29.741 31.823 0.041 0.000 1.107 167 V HN 1.108 nan 8.190 nan 0.000 0.434 168 F N 0.975 120.924 119.950 -0.002 0.000 2.592 168 F HA 0.429 4.956 4.527 0.000 0.000 0.280 168 F C 1.994 177.793 175.800 -0.002 0.000 1.083 168 F CA 0.589 58.586 58.000 -0.005 0.000 1.365 168 F CB 0.220 39.216 39.000 -0.007 0.000 1.100 168 F HN 0.550 nan 8.300 nan 0.000 0.633 169 G N 0.274 109.177 108.800 0.172 0.000 2.202 169 G HA2 0.224 4.184 3.960 0.000 0.000 0.251 169 G HA3 0.224 4.184 3.960 0.000 0.000 0.251 169 G C -0.856 174.076 174.900 0.052 0.000 1.219 169 G CA 0.622 45.782 45.100 0.099 0.000 0.943 169 G HN 0.391 nan 8.290 nan 0.000 0.465 170 W N 1.580 122.906 121.300 0.043 0.000 2.802 170 W HA 0.679 5.339 4.660 0.000 0.000 0.331 170 W C -0.054 176.497 176.519 0.053 0.000 1.021 170 W CA -1.988 55.395 57.345 0.064 0.000 1.259 170 W CB -0.346 29.143 29.460 0.048 0.000 1.323 170 W HN 1.188 nan 8.180 nan 0.000 0.432 171 F N 1.082 121.080 119.950 0.080 0.000 2.628 171 F HA 0.483 5.011 4.527 0.000 0.000 0.362 171 F C 0.382 176.207 175.800 0.041 0.000 1.148 171 F CA -0.178 57.858 58.000 0.060 0.000 1.352 171 F CB -0.228 38.836 39.000 0.105 0.000 1.081 171 F HN 1.893 nan 8.300 nan 0.000 0.605 172 W N 0.914 122.229 121.300 0.026 0.000 2.715 172 W HA 0.650 5.310 4.660 0.000 0.000 0.331 172 W C -0.118 176.411 176.519 0.016 0.000 1.031 172 W CA -1.952 55.405 57.345 0.019 0.000 1.237 172 W CB -0.459 29.008 29.460 0.012 0.000 1.378 172 W HN 2.240 nan 8.180 nan 0.000 0.454 173 F N 2.453 122.414 119.950 0.017 0.000 2.264 173 F HA 0.413 4.940 4.527 0.000 0.000 0.397 173 F C 0.531 176.336 175.800 0.008 0.000 0.979 173 F CA 0.665 58.674 58.000 0.014 0.000 0.973 173 F CB -1.504 37.502 39.000 0.010 0.000 0.825 173 F HN 1.526 nan 8.300 nan 0.000 0.508 174 K N 3.063 123.468 120.400 0.009 0.000 2.627 174 K HA 0.736 5.056 4.320 0.000 0.000 0.269 174 K C 1.194 177.794 176.600 0.000 0.000 1.029 174 K CA -0.242 56.047 56.287 0.003 0.000 1.026 174 K CB -0.330 32.172 32.500 0.002 0.000 1.350 174 K HN 2.176 nan 8.250 nan 0.000 0.506 175 G N 1.307 110.105 108.800 -0.003 0.000 2.563 175 G HA2 0.399 4.359 3.960 0.000 0.000 0.295 175 G HA3 0.399 4.359 3.960 0.000 0.000 0.295 175 G C -0.118 174.778 174.900 -0.007 0.000 0.874 175 G CA 0.216 45.312 45.100 -0.007 0.000 1.642 175 G HN 0.506 nan 8.290 nan 0.000 0.483 183 N N 0.988 119.677 118.700 -0.018 0.000 2.551 183 N HA 0.540 5.280 4.740 0.000 0.000 0.199 183 N C 0.721 176.219 175.510 -0.019 0.000 1.277 183 N CA 1.300 54.340 53.050 -0.017 0.000 0.870 183 N CB -0.489 37.989 38.487 -0.015 0.000 1.028 183 N HN 1.719 nan 8.380 nan 0.000 0.452 184 V N -1.254 118.647 119.914 -0.022 0.000 3.385 184 V HA 0.719 4.839 4.120 0.000 0.000 0.301 184 V C 1.216 177.296 176.094 -0.023 0.000 1.082 184 V CA -0.244 62.041 62.300 -0.024 0.000 1.085 184 V CB -0.151 31.656 31.823 -0.028 0.000 1.152 184 V HN 0.665 nan 8.190 nan 0.000 0.465 185 S N 1.316 117.002 115.700 -0.024 0.000 2.563 185 S HA 0.437 4.907 4.470 0.000 0.000 0.294 185 S C 0.994 175.582 174.600 -0.020 0.000 1.279 185 S CA 0.146 58.333 58.200 -0.021 0.000 1.069 185 S CB -0.515 62.671 63.200 -0.023 0.000 0.828 185 S HN 2.284 nan 8.310 nan 0.000 0.497 186 G N 0.707 109.496 108.800 -0.018 0.000 2.118 186 G HA2 0.582 4.542 3.960 0.000 0.000 0.268 186 G HA3 0.582 4.542 3.960 0.000 0.000 0.268 186 G C -0.022 174.868 174.900 -0.016 0.000 1.006 186 G CA 0.913 46.003 45.100 -0.016 0.000 1.066 186 G HN 2.158 nan 8.290 nan 0.000 0.388 187 M N 0.780 120.370 119.600 -0.017 0.000 2.523 187 M HA 0.732 5.212 4.480 0.000 0.000 0.287 187 M C 0.005 176.297 176.300 -0.013 0.000 1.160 187 M CA -0.198 55.093 55.300 -0.015 0.000 0.902 187 M CB -0.187 32.401 32.600 -0.019 0.000 1.752 187 M HN 1.777 nan 8.290 nan 0.000 0.504 188 N N 0.965 119.660 118.700 -0.008 0.000 2.292 188 N HA 0.512 5.252 4.740 0.000 0.000 0.242 188 N C 1.390 176.900 175.510 0.000 0.000 1.243 188 N CA 1.285 54.333 53.050 -0.003 0.000 0.851 188 N CB -0.137 nan 38.487 nan 0.000 1.093 188 N HN 2.497 nan 8.380 nan 0.000 0.450 189 T N -0.984 113.570 114.554 0.000 0.000 2.760 189 T HA 0.043 4.393 4.350 0.000 0.000 0.269 189 T C 2.123 176.851 174.700 0.047 0.000 1.047 189 T CA 3.319 65.423 62.100 0.008 0.000 1.139 189 T CB -1.072 67.788 68.868 -0.012 0.000 0.855 189 T HN 1.245 nan 8.240 nan 0.000 0.471 190 F N 1.212 121.191 119.950 0.049 0.000 2.128 190 F HA 0.384 4.911 4.527 0.000 0.000 0.295 190 F C 2.897 178.709 175.800 0.020 0.000 1.100 190 F CA 1.041 59.077 58.000 0.061 0.000 1.260 190 F CB -1.204 37.836 39.000 0.068 0.000 1.009 190 F HN 0.426 nan 8.300 nan 0.000 0.476 191 G N -0.853 107.947 108.800 0.001 0.000 2.679 191 G HA2 0.214 4.174 3.960 0.000 0.000 0.212 191 G HA3 0.214 4.174 3.960 0.000 0.000 0.212 191 G C 1.722 176.600 174.900 -0.037 0.000 1.137 191 G CA 1.174 46.258 45.100 -0.027 0.000 0.787 191 G HN 0.935 nan 8.290 nan 0.000 0.534 192 A N 0.418 123.226 122.820 -0.019 0.000 1.943 192 A HA 0.420 4.740 4.320 0.000 0.000 0.213 192 A C 2.577 180.145 177.584 -0.026 0.000 1.181 192 A CA 1.235 53.258 52.037 -0.023 0.000 0.653 192 A CB -0.381 18.611 19.000 -0.013 0.000 0.833 192 A HN 0.705 nan 8.150 nan 0.000 0.451 193 I N -0.756 119.812 120.570 -0.004 0.000 2.546 193 I HA -0.126 4.045 4.170 0.000 0.000 0.255 193 I C 2.223 178.292 176.117 -0.079 0.000 1.163 193 I CA 1.960 63.256 61.300 -0.007 0.000 1.457 193 I CB -1.472 36.566 38.000 0.065 0.000 1.092 193 I HN 0.561 nan 8.210 nan 0.000 0.434 194 Q N 1.075 120.805 119.800 -0.117 0.000 2.124 194 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 194 Q C 2.504 178.393 176.000 -0.186 0.000 0.977 194 Q CA 2.000 57.664 55.803 -0.231 0.000 0.850 194 Q CB -0.202 28.384 28.738 -0.253 0.000 0.901 194 Q HN 0.919 nan 8.270 nan 0.000 0.429 195 S N -0.898 114.728 115.700 -0.123 0.000 2.522 195 S HA -0.002 4.468 4.470 0.000 0.000 0.227 195 S C 1.667 176.209 174.600 -0.097 0.000 0.986 195 S CA 0.824 58.965 58.200 -0.099 0.000 0.929 195 S CB 0.069 63.224 63.200 -0.075 0.000 0.769 195 S HN 0.173 nan 8.310 nan 0.000 0.529 196 T N 2.490 116.977 114.554 -0.113 0.000 3.035 196 T HA 0.302 4.652 4.350 0.000 0.000 0.259 196 T C 1.550 176.148 174.700 -0.171 0.000 1.078 196 T CA 0.365 62.378 62.100 -0.145 0.000 1.132 196 T CB -0.279 68.496 68.868 -0.155 0.000 0.900 196 T HN 0.293 nan 8.240 nan 0.000 0.480 197 L N 1.353 122.492 121.223 -0.141 0.000 2.201 197 L HA -0.034 4.306 4.340 0.000 0.000 0.212 197 L C 1.987 178.855 176.870 -0.004 0.000 1.105 197 L CA 0.742 55.521 54.840 -0.101 0.000 0.775 197 L CB -0.662 41.335 42.059 -0.104 0.000 0.913 197 L HN 0.179 nan 8.230 nan 0.000 0.440 198 N N -0.649 118.052 118.700 0.002 0.000 2.588 198 N HA -0.123 4.617 4.740 0.000 0.000 0.190 198 N C 1.426 177.022 175.510 0.143 0.000 1.094 198 N CA 0.800 53.917 53.050 0.111 0.000 0.921 198 N CB -0.023 38.473 38.487 0.015 0.000 0.959 198 N HN 0.177 nan 8.380 nan 0.000 0.448 199 V N -1.114 118.822 119.914 0.036 0.000 3.013 199 V HA -0.007 4.113 4.120 0.000 0.000 0.238 199 V C 2.146 178.221 176.094 -0.032 0.000 1.161 199 V CA 1.494 63.788 62.300 -0.009 0.000 1.170 199 V CB -0.209 31.543 31.823 -0.118 0.000 0.917 199 V HN 0.368 nan 8.190 nan 0.000 0.478 200 T N -1.124 113.333 114.554 -0.161 0.000 2.937 200 T HA 0.028 4.378 4.350 0.000 0.000 0.260 200 T C 1.923 176.644 174.700 0.034 0.000 1.051 200 T CA 0.885 62.822 62.100 -0.272 0.000 1.141 200 T CB -0.357 68.120 68.868 -0.653 0.000 0.879 200 T HN 0.266 nan 8.240 nan 0.000 0.459 201 L N -1.153 120.119 121.223 0.081 0.000 2.079 201 L HA 0.008 4.348 4.340 0.000 0.000 0.210 201 L C 2.272 179.176 176.870 0.058 0.000 1.081 201 L CA 1.430 56.358 54.840 0.147 0.000 0.752 201 L CB -0.573 41.482 42.059 -0.007 0.000 0.896 201 L HN 0.364 nan 8.230 nan 0.000 0.433 202 W N -0.844 120.539 121.300 0.138 0.000 3.139 202 W HA 0.003 4.663 4.660 0.000 0.000 0.260 202 W C 2.497 179.081 176.519 0.110 0.000 1.312 202 W CA 0.531 57.941 57.345 0.108 0.000 1.606 202 W CB -0.201 29.282 29.460 0.038 0.000 1.118 202 W HN 0.116 nan 8.180 nan 0.000 0.675 203 S N -1.006 114.841 115.700 0.245 0.000 2.603 203 S HA 0.014 4.484 4.470 0.000 0.000 0.220 203 S C 0.656 175.307 174.600 0.085 0.000 0.967 203 S CA 0.275 58.538 58.200 0.105 0.000 0.920 203 S CB -0.585 62.544 63.200 -0.119 0.000 0.773 203 S HN 0.111 nan 8.310 nan 0.000 0.529 204 F N 1.417 121.573 119.950 0.343 0.000 2.908 204 F HA 0.529 5.056 4.527 0.000 0.000 0.328 204 F C 0.396 176.333 175.800 0.229 0.000 1.211 204 F CA -1.114 57.064 58.000 0.297 0.000 1.291 204 F CB 0.212 39.376 39.000 0.273 0.000 0.962 204 F HN 0.146 nan 8.300 nan 0.000 0.505 205 I N 0.220 121.037 120.570 0.411 0.000 3.731 205 I HA 0.125 4.295 4.170 0.000 0.000 0.316 205 I C 1.535 177.966 176.117 0.524 0.000 1.395 205 I CA 0.360 61.940 61.300 0.467 0.000 1.294 205 I CB -0.558 37.712 38.000 0.450 0.000 1.238 205 I HN 0.344 nan 8.210 nan 0.000 0.437 206 G N 0.771 109.832 108.800 0.435 0.000 2.833 206 G HA2 0.168 4.128 3.960 0.000 0.000 0.214 206 G HA3 0.168 4.128 3.960 0.000 0.000 0.214 206 G C 0.814 175.829 174.900 0.192 0.000 1.075 206 G CA 0.083 45.384 45.100 0.335 0.000 0.799 206 G HN 0.230 nan 8.290 nan 0.000 0.541 207 V N -0.239 119.803 119.914 0.213 0.000 3.930 207 V HA 0.251 4.371 4.120 0.000 0.000 0.279 207 V C 1.389 177.440 176.094 -0.072 0.000 1.009 207 V CA 0.793 63.131 62.300 0.064 0.000 1.018 207 V CB -0.157 31.692 31.823 0.042 0.000 1.220 207 V HN 0.668 nan 8.190 nan 0.000 0.448 208 E N -2.114 117.865 120.200 -0.368 0.000 3.049 208 E HA -0.292 4.058 4.350 0.000 0.000 0.272 208 E C 1.034 177.477 176.600 -0.262 0.000 1.051 208 E CA 1.523 57.574 56.400 -0.583 0.000 0.813 208 E CB -2.663 26.474 29.700 -0.939 0.000 1.409 208 E HN 0.595 nan 8.360 nan 0.000 0.454 209 S N -0.736 114.855 115.700 -0.182 0.000 2.387 209 S HA 0.093 4.563 4.470 0.000 0.000 0.226 209 S C 1.987 176.512 174.600 -0.126 0.000 1.026 209 S CA 0.949 59.033 58.200 -0.193 0.000 0.972 209 S CB -0.139 62.933 63.200 -0.212 0.000 0.814 209 S HN 0.673 nan 8.310 nan 0.000 0.477 210 A N 1.109 123.882 122.820 -0.078 0.000 1.930 210 A HA 0.061 4.381 4.320 0.000 0.000 0.215 210 A C 2.263 179.846 177.584 -0.000 0.000 1.176 210 A CA 1.272 53.292 52.037 -0.029 0.000 0.632 210 A CB -0.718 18.282 19.000 -0.000 0.000 0.819 210 A HN 0.401 nan 8.150 nan 0.000 0.445 211 S N 0.033 115.744 115.700 0.018 0.000 2.353 211 S HA -0.192 4.278 4.470 0.000 0.000 0.222 211 S C 2.024 176.620 174.600 -0.007 0.000 1.035 211 S CA 1.979 60.235 58.200 0.094 0.000 1.025 211 S CB -0.816 62.538 63.200 0.258 0.000 0.902 211 S HN 0.892 nan 8.310 nan 0.000 0.440 212 V N 0.103 119.968 119.914 -0.082 0.000 2.809 212 V HA 0.156 4.276 4.120 0.000 0.000 0.256 212 V C 2.120 178.186 176.094 -0.047 0.000 1.080 212 V CA 1.241 63.480 62.300 -0.101 0.000 1.102 212 V CB -1.296 30.441 31.823 -0.144 0.000 0.705 212 V HN 0.410 nan 8.190 nan 0.000 0.475 213 A N 0.794 123.590 122.820 -0.040 0.000 2.119 213 A HA 0.493 4.814 4.320 0.000 0.000 0.217 213 A C 1.717 179.300 177.584 -0.002 0.000 1.153 213 A CA 0.824 52.847 52.037 -0.022 0.000 0.692 213 A CB -0.782 18.198 19.000 -0.033 0.000 0.799 213 A HN 1.023 nan 8.150 nan 0.000 0.458 214 A N -1.913 120.910 122.820 0.006 0.000 2.482 214 A HA 0.412 4.732 4.320 0.000 0.000 0.249 214 A C 1.911 179.506 177.584 0.018 0.000 1.114 214 A CA 0.789 52.839 52.037 0.021 0.000 0.797 214 A CB -0.712 18.311 19.000 0.039 0.000 1.067 214 A HN 2.001 nan 8.150 nan 0.000 0.514 215 G N -1.644 107.170 108.800 0.024 0.000 3.444 215 G HA2 -0.270 3.690 3.960 0.000 0.000 0.222 215 G HA3 -0.270 3.690 3.960 0.000 0.000 0.222 215 G C 0.788 175.703 174.900 0.024 0.000 1.358 215 G CA 0.857 45.972 45.100 0.025 0.000 0.880 215 G HN 1.493 nan 8.290 nan 0.000 0.555 216 V N 0.390 120.317 119.914 0.022 0.000 4.410 216 V HA 0.569 4.690 4.120 0.000 0.000 0.268 216 V C 2.388 178.493 176.094 0.018 0.000 1.081 216 V CA 0.724 63.036 62.300 0.021 0.000 0.733 216 V CB 0.456 32.291 31.823 0.020 0.000 1.170 216 V HN 1.365 nan 8.190 nan 0.000 0.374 217 V N -2.309 117.615 119.914 0.016 0.000 0.429 217 V HA -0.378 3.742 4.120 0.000 0.000 0.092 217 V C 0.757 176.861 176.094 0.017 0.000 2.611 217 V CA 2.140 64.449 62.300 0.015 0.000 3.746 217 V CB -1.872 29.960 31.823 0.015 0.000 1.016 217 V HN 1.055 nan 8.190 nan 0.000 1.067 218 K N -1.568 118.843 120.400 0.019 0.000 0.828 218 K HA -0.240 4.080 4.320 0.000 0.000 0.748 218 K C 0.360 176.971 176.600 0.018 0.000 2.472 218 K CA 1.193 57.491 56.287 0.019 0.000 1.651 218 K CB -0.772 31.739 32.500 0.017 0.000 2.739 218 K HN 1.249 nan 8.250 nan 0.000 0.233 219 N N -2.938 115.773 118.700 0.018 0.000 2.708 219 N HA -0.206 4.534 4.740 0.000 0.000 0.251 219 N C -2.574 172.948 175.510 0.019 0.000 1.017 219 N CA 0.961 54.021 53.050 0.017 0.000 0.742 219 N CB -1.244 37.252 38.487 0.016 0.000 0.943 219 N HN 0.330 nan 8.380 nan 0.000 0.539 220 P HA 0.113 nan 4.420 nan 0.000 0.318 220 P C 0.673 177.986 177.300 0.023 0.000 1.309 220 P CA -0.362 62.753 63.100 0.025 0.000 0.736 220 P CB 0.358 32.076 31.700 0.030 0.000 1.440 221 K N -2.796 117.619 120.400 0.025 0.000 3.595 221 K HA -0.245 4.075 4.320 0.000 0.000 0.284 221 K C 1.345 177.954 176.600 0.016 0.000 1.150 221 K CA 1.256 57.552 56.287 0.016 0.000 1.056 221 K CB -0.583 31.923 32.500 0.010 0.000 1.354 221 K HN 0.262 nan 8.250 nan 0.000 0.448 222 R N -1.325 119.187 120.500 0.020 0.000 2.977 222 R HA 0.236 4.576 4.340 0.000 0.000 0.161 222 R C 1.390 177.703 176.300 0.022 0.000 0.805 222 R CA 0.583 56.695 56.100 0.020 0.000 1.044 222 R CB -0.795 29.516 30.300 0.018 0.000 1.433 222 R HN 0.192 nan 8.270 nan 0.000 0.570 223 N N 1.137 119.850 118.700 0.021 0.000 2.104 223 N HA -0.135 4.606 4.740 0.000 0.000 0.190 223 N C 1.831 177.355 175.510 0.024 0.000 1.024 223 N CA 1.660 54.722 53.050 0.020 0.000 0.853 223 N CB 0.078 38.576 38.487 0.018 0.000 1.008 223 N HN -0.079 nan 8.380 nan 0.000 0.424 224 V N 2.028 121.960 119.914 0.030 0.000 2.237 224 V HA -0.151 3.969 4.120 0.000 0.000 0.245 224 V C -0.844 175.278 176.094 0.046 0.000 1.046 224 V CA 1.853 64.176 62.300 0.040 0.000 1.007 224 V CB -1.386 30.471 31.823 0.056 0.000 0.638 224 V HN 0.206 nan 8.190 nan 0.000 0.445 225 P HA -0.117 nan 4.420 nan 0.000 0.218 225 P C 1.726 179.050 177.300 0.039 0.000 1.148 225 P CA 1.526 64.656 63.100 0.049 0.000 0.822 225 P CB -0.037 31.685 31.700 0.038 0.000 0.784 226 I N -0.829 119.759 120.570 0.030 0.000 2.233 226 I HA -0.180 3.990 4.170 0.000 0.000 0.243 226 I C 2.309 178.438 176.117 0.019 0.000 1.093 226 I CA 1.331 62.645 61.300 0.022 0.000 1.380 226 I CB -0.783 37.228 38.000 0.018 0.000 1.067 226 I HN -0.096 nan 8.210 nan 0.000 0.413 227 A N 0.314 123.145 122.820 0.019 0.000 1.969 227 A HA -0.166 4.155 4.320 0.000 0.000 0.218 227 A C 2.348 179.941 177.584 0.016 0.000 1.169 227 A CA 2.156 54.202 52.037 0.014 0.000 0.635 227 A CB -0.974 18.032 19.000 0.010 0.000 0.810 227 A HN 0.368 nan 8.150 nan 0.000 0.445 228 T N 0.272 114.842 114.554 0.027 0.000 2.746 228 T HA -0.078 4.272 4.350 0.000 0.000 0.267 228 T C 1.684 176.401 174.700 0.028 0.000 1.039 228 T CA 1.428 63.548 62.100 0.034 0.000 1.142 228 T CB -0.186 68.724 68.868 0.070 0.000 0.866 228 T HN 0.331 nan 8.240 nan 0.000 0.444 229 I N 0.936 121.520 120.570 0.023 0.000 2.703 229 I HA 0.110 4.280 4.170 0.000 0.000 0.259 229 I C 2.779 178.895 176.117 -0.000 0.000 1.151 229 I CA 0.774 62.078 61.300 0.008 0.000 1.470 229 I CB -1.718 36.288 38.000 0.009 0.000 1.112 229 I HN 0.265 nan 8.210 nan 0.000 0.437 230 G N 1.272 110.075 108.800 0.005 0.000 2.453 230 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 230 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 230 G C 1.737 176.638 174.900 0.002 0.000 1.201 230 G CA 0.906 46.007 45.100 0.002 0.000 0.784 230 G HN 0.422 nan 8.290 nan 0.000 0.545 231 G N 0.271 109.076 108.800 0.008 0.000 2.469 231 G HA2 -0.194 3.767 3.960 0.000 0.000 0.219 231 G HA3 -0.194 3.767 3.960 0.000 0.000 0.219 231 G C 1.811 176.727 174.900 0.027 0.000 1.150 231 G CA 1.455 46.563 45.100 0.014 0.000 0.763 231 G HN 0.354 nan 8.290 nan 0.000 0.561 232 V N 0.525 120.457 119.914 0.030 0.000 2.261 232 V HA -0.103 4.017 4.120 0.000 0.000 0.246 232 V C 2.727 178.826 176.094 0.009 0.000 1.047 232 V CA 1.637 63.958 62.300 0.036 0.000 1.015 232 V CB -0.476 31.319 31.823 -0.046 0.000 0.642 232 V HN 0.327 nan 8.190 nan 0.000 0.446 233 L N -0.865 120.346 121.223 -0.021 0.000 2.265 233 L HA -0.103 4.237 4.340 0.000 0.000 0.215 233 L C 2.042 178.898 176.870 -0.023 0.000 1.117 233 L CA 1.427 56.251 54.840 -0.028 0.000 0.782 233 L CB -0.193 41.849 42.059 -0.029 0.000 0.914 233 L HN 0.258 nan 8.230 nan 0.000 0.441 234 I N -1.287 119.272 120.570 -0.019 0.000 2.235 234 I HA -0.184 3.986 4.170 0.000 0.000 0.241 234 I C 2.405 178.477 176.117 -0.075 0.000 1.085 234 I CA 1.041 62.321 61.300 -0.033 0.000 1.378 234 I CB -0.359 37.627 38.000 -0.022 0.000 1.076 234 I HN 0.221 nan 8.210 nan 0.000 0.415 235 A N 0.436 123.201 122.820 -0.091 0.000 2.119 235 A HA 0.093 4.413 4.320 0.000 0.000 0.217 235 A C 2.363 179.719 177.584 -0.381 0.000 1.153 235 A CA 1.269 53.131 52.037 -0.292 0.000 0.692 235 A CB -0.444 18.388 19.000 -0.279 0.000 0.799 235 A HN 0.423 nan 8.150 nan 0.000 0.458 236 A N -0.650 122.158 122.820 -0.021 0.000 1.930 236 A HA 0.127 4.448 4.320 0.000 0.000 0.215 236 A C 2.134 179.688 177.584 -0.050 0.000 1.176 236 A CA 1.423 53.529 52.037 0.116 0.000 0.632 236 A CB -0.611 18.445 19.000 0.095 0.000 0.819 236 A HN 0.276 nan 8.150 nan 0.000 0.445 237 V N -0.662 119.209 119.914 -0.072 0.000 2.307 237 V HA -0.296 3.824 4.120 0.000 0.000 0.245 237 V C 2.668 178.704 176.094 -0.097 0.000 1.045 237 V CA 2.025 64.281 62.300 -0.073 0.000 1.024 237 V CB -0.974 30.822 31.823 -0.045 0.000 0.651 237 V HN 0.707 nan 8.190 nan 0.000 0.449 238 C N -0.898 118.332 119.300 -0.117 0.000 2.398 238 C HA -0.247 4.213 4.460 0.000 0.000 0.276 238 C C 2.487 177.448 174.990 -0.047 0.000 1.222 238 C CA 1.235 60.200 59.018 -0.088 0.000 1.746 238 C CB -1.232 26.441 27.740 -0.111 0.000 2.039 238 C HN 0.593 nan 8.230 nan 0.000 0.470 239 Y N 0.232 120.376 120.300 -0.260 0.000 2.070 239 Y HA -0.206 4.344 4.550 0.000 0.000 0.279 239 Y C 2.554 178.035 175.900 -0.698 0.000 1.134 239 Y CA 1.147 58.946 58.100 -0.501 0.000 1.113 239 Y CB -0.487 37.514 38.460 -0.765 0.000 0.981 239 Y HN 0.119 nan 8.280 nan 0.000 0.487 240 V N 0.367 119.927 119.914 -0.590 0.000 3.141 240 V HA -0.199 3.921 4.120 0.000 0.000 0.265 240 V C 1.247 177.207 176.094 -0.223 0.000 1.126 240 V CA 1.146 63.093 62.300 -0.588 0.000 1.141 240 V CB -0.416 31.139 31.823 -0.446 0.000 0.743 240 V HN 0.375 nan 8.190 nan 0.000 0.492 241 L N -0.629 120.515 121.223 -0.131 0.000 2.928 241 L HA 0.285 4.625 4.340 0.000 0.000 0.246 241 L C 1.496 178.325 176.870 -0.068 0.000 1.239 241 L CA 0.418 55.257 54.840 -0.002 0.000 1.035 241 L CB 0.502 42.595 42.059 0.058 0.000 1.360 241 L HN 0.325 nan 8.230 nan 0.000 0.529 242 S N -1.373 114.246 115.700 -0.134 0.000 3.265 242 S HA -0.070 4.400 4.470 0.000 0.000 0.259 242 S C 1.841 176.320 174.600 -0.203 0.000 1.089 242 S CA 0.725 58.827 58.200 -0.164 0.000 0.811 242 S CB 0.112 63.251 63.200 -0.102 0.000 0.858 242 S HN 0.438 nan 8.310 nan 0.000 0.452 243 T N 0.557 115.008 114.554 -0.170 0.000 3.035 243 T HA -0.036 4.315 4.350 0.000 0.000 0.268 243 T C 1.802 176.456 174.700 -0.077 0.000 1.109 243 T CA 1.872 63.910 62.100 -0.103 0.000 1.119 243 T CB -0.855 68.051 68.868 0.062 0.000 0.900 243 T HN 0.563 nan 8.240 nan 0.000 0.503 244 T N -0.423 114.072 114.554 -0.098 0.000 3.010 244 T HA 0.413 4.763 4.350 0.000 0.000 0.252 244 T C 2.054 176.654 174.700 -0.166 0.000 1.047 244 T CA 0.374 62.446 62.100 -0.046 0.000 1.140 244 T CB -0.552 68.351 68.868 0.058 0.000 0.885 244 T HN 0.413 nan 8.240 nan 0.000 0.464 245 A N 0.290 122.898 122.820 -0.353 0.000 2.265 245 A HA 0.533 4.853 4.320 0.000 0.000 0.213 245 A C 1.690 179.056 177.584 -0.365 0.000 1.255 245 A CA 0.179 51.845 52.037 -0.619 0.000 0.862 245 A CB -0.884 17.619 19.000 -0.829 0.000 0.852 245 A HN 0.658 nan 8.150 nan 0.000 0.484 246 I N -2.844 117.573 120.570 -0.255 0.000 4.547 246 I HA 0.096 4.266 4.170 0.000 0.000 0.303 246 I C 0.919 176.953 176.117 -0.138 0.000 1.188 246 I CA 0.064 61.234 61.300 -0.216 0.000 1.320 246 I CB 0.065 37.870 38.000 -0.326 0.000 1.495 246 I HN 0.131 nan 8.210 nan 0.000 0.462 247 M N 2.386 121.920 119.600 -0.108 0.000 3.201 247 M HA 0.244 4.724 4.480 0.000 0.000 0.194 247 M C 0.192 176.471 176.300 -0.035 0.000 1.313 247 M CA 0.259 55.526 55.300 -0.055 0.000 1.332 247 M CB -1.480 31.107 32.600 -0.022 0.000 1.542 247 M HN 0.322 nan 8.290 nan 0.000 0.428 248 G N 1.993 110.761 108.800 -0.053 0.000 2.145 248 G HA2 0.113 4.073 3.960 0.000 0.000 0.174 248 G HA3 0.113 4.073 3.960 0.000 0.000 0.174 248 G C -0.482 174.376 174.900 -0.070 0.000 1.726 248 G CA -0.308 44.773 45.100 -0.032 0.000 1.080 248 G HN 0.366 nan 8.290 nan 0.000 0.606 249 M N 1.913 121.478 119.600 -0.059 0.000 2.268 249 M HA 0.393 4.873 4.480 0.000 0.000 0.355 249 M C 1.358 177.643 176.300 -0.026 0.000 0.938 249 M CA 0.093 55.377 55.300 -0.028 0.000 1.025 249 M CB -1.362 31.235 32.600 -0.006 0.000 1.773 249 M HN 0.374 nan 8.290 nan 0.000 0.613 250 I N 2.666 123.213 120.570 -0.038 0.000 2.068 250 I HA -0.149 4.022 4.170 0.000 0.000 0.238 250 I C -0.584 175.536 176.117 0.005 0.000 1.046 250 I CA 1.755 63.048 61.300 -0.012 0.000 1.306 250 I CB -1.628 36.373 38.000 0.002 0.000 1.023 250 I HN 0.273 nan 8.210 nan 0.000 0.399 251 P HA 0.119 nan 4.420 nan 0.000 0.289 251 P C -0.816 176.484 177.300 0.001 0.000 1.599 251 P CA -0.289 62.821 63.100 0.017 0.000 1.239 251 P CB -0.436 31.296 31.700 0.053 0.000 1.581 252 N N 0.139 118.834 118.700 -0.008 0.000 2.371 252 N HA 0.217 4.957 4.740 0.000 0.000 0.243 252 N C 0.204 175.711 175.510 -0.005 0.000 1.287 252 N CA -0.398 52.646 53.050 -0.010 0.000 0.911 252 N CB 1.049 39.530 38.487 -0.011 0.000 1.142 252 N HN -0.102 nan 8.380 nan 0.000 0.451 253 A N 0.401 123.218 122.820 -0.006 0.000 2.260 253 A HA 0.477 4.797 4.320 0.000 0.000 0.278 253 A C 1.554 179.132 177.584 -0.011 0.000 1.269 253 A CA 0.263 52.295 52.037 -0.008 0.000 0.824 253 A CB -0.641 18.355 19.000 -0.007 0.000 1.238 253 A HN 0.902 nan 8.150 nan 0.000 0.507 254 A N -1.156 121.656 122.820 -0.013 0.000 1.917 254 A HA -0.083 4.237 4.320 0.000 0.000 0.219 254 A C 1.601 179.176 177.584 -0.016 0.000 1.182 254 A CA 1.768 53.794 52.037 -0.017 0.000 0.633 254 A CB -0.853 18.136 19.000 -0.018 0.000 0.819 254 A HN 0.667 nan 8.150 nan 0.000 0.448 255 L N -0.771 120.445 121.223 -0.012 0.000 2.682 255 L HA 0.063 4.403 4.340 0.000 0.000 0.240 255 L C 2.100 178.966 176.870 -0.006 0.000 1.178 255 L CA -0.167 54.667 54.840 -0.009 0.000 0.970 255 L CB -0.281 41.773 42.059 -0.008 0.000 1.179 255 L HN 0.281 nan 8.230 nan 0.000 0.435 256 R N -0.827 119.670 120.500 -0.005 0.000 2.167 256 R HA 0.104 4.444 4.340 0.000 0.000 0.201 256 R C 1.879 178.181 176.300 0.003 0.000 1.024 256 R CA 0.753 56.852 56.100 -0.001 0.000 1.053 256 R CB 0.142 30.442 30.300 -0.000 0.000 0.987 256 R HN 0.205 nan 8.270 nan 0.000 0.493 257 V N 0.015 119.930 119.914 0.001 0.000 2.992 257 V HA 0.019 4.139 4.120 0.000 0.000 0.250 257 V C 2.150 178.242 176.094 -0.004 0.000 1.090 257 V CA 1.150 63.454 62.300 0.008 0.000 1.101 257 V CB -0.092 31.730 31.823 -0.001 0.000 0.743 257 V HN 0.211 nan 8.190 nan 0.000 0.468 258 S N 0.532 116.224 115.700 -0.013 0.000 2.462 258 S HA -0.165 4.305 4.470 0.000 0.000 0.243 258 S C 1.818 176.418 174.600 -0.001 0.000 1.003 258 S CA 1.772 59.961 58.200 -0.017 0.000 0.970 258 S CB -0.072 63.117 63.200 -0.017 0.000 0.762 258 S HN 0.668 nan 8.310 nan 0.000 0.510 259 A N 0.441 123.265 122.820 0.007 0.000 1.969 259 A HA 0.403 4.724 4.320 0.000 0.000 0.205 259 A C 1.095 178.696 177.584 0.029 0.000 1.364 259 A CA 0.546 52.593 52.037 0.016 0.000 0.756 259 A CB -0.299 18.706 19.000 0.010 0.000 0.988 259 A HN 0.635 nan 8.150 nan 0.000 0.490 260 S N 0.919 116.634 115.700 0.024 0.000 2.489 260 S HA 0.599 5.069 4.470 0.000 0.000 0.291 260 S C -3.057 171.573 174.600 0.049 0.000 1.151 260 S CA -1.568 56.647 58.200 0.024 0.000 1.082 260 S CB 0.929 64.126 63.200 -0.004 0.000 1.019 260 S HN 0.079 nan 8.310 nan 0.000 0.492 261 P HA 0.140 nan 4.420 nan 0.000 0.266 261 P C -0.240 177.107 177.300 0.078 0.000 1.215 261 P CA -0.265 62.922 63.100 0.146 0.000 0.763 261 P CB -0.057 31.730 31.700 0.145 0.000 0.806 262 F N 3.435 123.375 119.950 -0.015 0.000 2.586 262 F HA 0.304 4.831 4.527 0.000 0.000 0.344 262 F C 1.383 177.134 175.800 -0.081 0.000 1.188 262 F CA 2.122 60.088 58.000 -0.056 0.000 1.359 262 F CB 0.282 39.245 39.000 -0.061 0.000 1.129 262 F HN 0.573 nan 8.300 nan 0.000 0.609 263 G N 2.775 110.661 108.800 -1.523 0.000 3.620 263 G HA2 -0.176 3.784 3.960 0.000 0.000 0.112 263 G HA3 -0.176 3.784 3.960 0.000 0.000 0.112 263 G C 0.545 174.876 174.900 -0.948 0.000 2.274 263 G CA 0.175 44.575 45.100 -1.167 0.000 1.052 263 G HN 0.543 nan 8.290 nan 0.000 0.298 264 D N 1.577 121.603 120.400 -0.624 0.000 2.355 264 D HA 0.233 4.873 4.640 0.000 0.000 0.218 264 D C 2.353 178.464 176.300 -0.315 0.000 1.004 264 D CA 0.832 54.573 54.000 -0.432 0.000 0.880 264 D CB 0.374 40.979 40.800 -0.326 0.000 0.911 264 D HN 0.370 nan 8.370 nan 0.000 0.528 265 A N 0.582 123.198 122.820 -0.340 0.000 2.209 265 A HA 0.146 4.466 4.320 0.000 0.000 0.212 265 A C 1.870 179.455 177.584 0.001 0.000 1.158 265 A CA 0.816 52.786 52.037 -0.112 0.000 0.742 265 A CB 0.030 19.040 19.000 0.017 0.000 0.790 265 A HN 0.161 nan 8.150 nan 0.000 0.472 266 A N -0.593 122.190 122.820 -0.061 0.000 2.379 266 A HA 0.305 4.626 4.320 0.000 0.000 0.236 266 A C 1.369 178.950 177.584 -0.005 0.000 1.272 266 A CA -0.218 51.877 52.037 0.097 0.000 0.886 266 A CB -0.095 19.067 19.000 0.270 0.000 0.962 266 A HN 0.438 nan 8.150 nan 0.000 0.504 267 R N -0.714 119.751 120.500 -0.058 0.000 2.565 267 R HA 0.239 4.580 4.340 0.000 0.000 0.347 267 R C 1.259 177.538 176.300 -0.035 0.000 1.010 267 R CA 0.594 56.661 56.100 -0.054 0.000 1.126 267 R CB 0.064 30.309 30.300 -0.092 0.000 1.331 267 R HN 0.732 nan 8.270 nan 0.000 0.552 268 M N -2.499 117.086 119.600 -0.024 0.000 2.925 268 M HA 0.448 4.928 4.480 0.000 0.000 0.249 268 M C 1.286 177.583 176.300 -0.006 0.000 1.439 268 M CA 0.615 55.905 55.300 -0.017 0.000 1.217 268 M CB 0.400 32.989 32.600 -0.019 0.000 1.245 268 M HN -0.097 nan 8.290 nan 0.000 0.552 269 A N 0.985 123.804 122.820 -0.001 0.000 3.105 269 A HA 0.565 4.885 4.320 0.000 0.000 0.272 269 A C 0.804 178.389 177.584 0.002 0.000 1.466 269 A CA -0.113 51.925 52.037 0.001 0.000 1.101 269 A CB -0.436 18.566 19.000 0.002 0.000 1.065 269 A HN 0.680 nan 8.150 nan 0.000 0.643 270 L N -1.979 119.246 121.223 0.003 0.000 4.630 270 L HA 0.115 4.455 4.340 0.000 0.000 0.570 270 L C 0.350 177.223 176.870 0.005 0.000 0.652 270 L CA 1.060 55.904 54.840 0.005 0.000 2.305 270 L CB -0.999 41.063 42.059 0.005 0.000 1.688 270 L HN 1.198 nan 8.230 nan 0.000 0.484 271 G N 1.652 110.453 108.800 0.001 0.000 3.421 271 G HA2 -0.125 3.835 3.960 0.000 0.000 0.656 271 G HA3 -0.125 3.835 3.960 0.000 0.000 0.656 271 G C -0.125 174.775 174.900 -0.000 0.000 1.007 271 G CA 0.194 45.294 45.100 0.000 0.000 0.811 271 G HN 0.284 nan 8.290 nan 0.000 0.433 272 D N 0.750 121.146 120.400 -0.008 0.000 2.401 272 D HA 0.197 4.837 4.640 0.000 0.000 0.269 272 D C 1.684 177.980 176.300 -0.007 0.000 1.117 272 D CA 1.243 55.238 54.000 -0.008 0.000 0.829 272 D CB 0.196 40.983 40.800 -0.022 0.000 1.350 272 D HN 1.042 nan 8.370 nan 0.000 0.529 273 T N 1.259 115.807 114.554 -0.010 0.000 14.190 273 T HA 0.010 4.360 4.350 0.000 0.000 0.419 273 T C 0.315 175.006 174.700 -0.015 0.000 1.441 273 T CA 1.217 63.313 62.100 -0.005 0.000 2.331 273 T CB -1.232 67.642 68.868 0.010 0.000 2.757 273 T HN 1.228 nan 8.240 nan 0.000 0.231 274 A N -0.523 122.303 122.820 0.010 0.000 2.437 274 A HA 0.535 4.855 4.320 0.000 0.000 0.606 274 A C 0.795 178.428 177.584 0.082 0.000 0.363 274 A CA 0.502 52.554 52.037 0.025 0.000 0.286 274 A CB -1.089 17.883 19.000 -0.047 0.000 3.420 274 A HN 2.964 nan 8.150 nan 0.000 0.498 275 G N 0.080 108.982 108.800 0.171 0.000 2.137 275 G HA2 0.348 4.308 3.960 0.000 0.000 0.241 275 G HA3 0.348 4.308 3.960 0.000 0.000 0.241 275 G C 0.681 175.652 174.900 0.119 0.000 0.689 275 G CA 1.078 46.334 45.100 0.261 0.000 1.099 275 G HN 2.464 nan 8.290 nan 0.000 0.332 276 A N 2.822 125.578 122.820 -0.106 0.000 2.376 276 A HA 0.579 4.899 4.320 0.000 0.000 0.298 276 A C 1.252 178.506 177.584 -0.550 0.000 1.271 276 A CA -0.146 51.608 52.037 -0.472 0.000 0.926 276 A CB 0.426 18.913 19.000 -0.854 0.000 1.141 276 A HN 1.235 nan 8.150 nan 0.000 0.539 277 I N 3.520 123.988 120.570 -0.171 0.000 3.564 277 I HA -0.045 4.125 4.170 0.000 0.000 0.294 277 I C 1.101 177.188 176.117 -0.050 0.000 1.289 277 I CA 0.326 61.661 61.300 0.058 0.000 1.325 277 I CB 0.182 38.309 38.000 0.211 0.000 1.039 277 I HN 0.500 nan 8.210 nan 0.000 0.474 278 V N -0.074 119.700 119.914 -0.232 0.000 2.244 278 V HA -0.245 3.875 4.120 0.000 0.000 0.244 278 V C 2.342 178.348 176.094 -0.146 0.000 1.042 278 V CA 2.123 64.324 62.300 -0.165 0.000 1.006 278 V CB -0.514 31.165 31.823 -0.239 0.000 0.641 278 V HN 0.506 nan 8.190 nan 0.000 0.446 279 S N -0.867 114.615 115.700 -0.363 0.000 2.547 279 S HA -0.075 4.395 4.470 0.000 0.000 0.235 279 S C 1.669 176.294 174.600 0.042 0.000 0.980 279 S CA 0.844 58.911 58.200 -0.221 0.000 0.941 279 S CB -0.396 62.529 63.200 -0.459 0.000 0.763 279 S HN 0.471 nan 8.310 nan 0.000 0.532 280 F N 1.051 121.045 119.950 0.073 0.000 2.367 280 F HA 0.111 4.638 4.527 0.000 0.000 0.298 280 F C 2.548 178.414 175.800 0.111 0.000 1.094 280 F CA 0.122 58.195 58.000 0.122 0.000 1.409 280 F CB -0.965 38.108 39.000 0.121 0.000 1.064 280 F HN 0.547 nan 8.300 nan 0.000 0.528 281 C N -2.040 117.422 119.300 0.270 0.000 2.689 281 C HA 0.628 5.088 4.460 0.000 0.000 0.336 281 C C 2.586 177.679 174.990 0.172 0.000 1.304 281 C CA 0.258 59.392 59.018 0.192 0.000 1.860 281 C CB -0.880 26.951 27.740 0.152 0.000 2.405 281 C HN 0.217 nan 8.230 nan 0.000 0.557 282 A N 0.914 123.849 122.820 0.191 0.000 2.248 282 A HA 0.486 4.806 4.320 0.000 0.000 0.210 282 A C 2.206 179.915 177.584 0.209 0.000 1.174 282 A CA 1.461 53.627 52.037 0.215 0.000 0.750 282 A CB -0.640 18.532 19.000 0.287 0.000 0.780 282 A HN 0.942 nan 8.150 nan 0.000 0.478 283 A N -0.902 122.057 122.820 0.232 0.000 2.044 283 A HA 0.503 4.823 4.320 0.000 0.000 0.213 283 A C 2.216 179.854 177.584 0.090 0.000 1.169 283 A CA 1.088 53.225 52.037 0.167 0.000 0.724 283 A CB -0.436 18.737 19.000 0.289 0.000 0.840 283 A HN 0.812 nan 8.150 nan 0.000 0.463 284 A N -0.399 122.493 122.820 0.120 0.000 2.021 284 A HA 0.297 4.617 4.320 0.000 0.000 0.216 284 A C 2.075 179.701 177.584 0.070 0.000 1.163 284 A CA 1.275 53.377 52.037 0.108 0.000 0.676 284 A CB -0.879 18.198 19.000 0.127 0.000 0.818 284 A HN 0.681 nan 8.150 nan 0.000 0.453 285 G N -1.951 106.887 108.800 0.062 0.000 2.776 285 G HA2 0.005 3.965 3.960 0.000 0.000 0.209 285 G HA3 0.005 3.965 3.960 0.000 0.000 0.209 285 G C 1.047 175.948 174.900 0.001 0.000 1.145 285 G CA 1.029 46.157 45.100 0.046 0.000 0.791 285 G HN 0.524 nan 8.290 nan 0.000 0.530 286 C N -0.880 118.391 119.300 -0.048 0.000 3.270 286 C HA 0.451 4.911 4.460 0.000 0.000 0.369 286 C C 2.316 177.224 174.990 -0.136 0.000 1.326 286 C CA -0.096 58.855 59.018 -0.112 0.000 1.846 286 C CB -0.455 27.149 27.740 -0.227 0.000 2.534 286 C HN 0.328 nan 8.230 nan 0.000 0.649 287 L N 0.564 121.716 121.223 -0.118 0.000 2.416 287 L HA 0.263 4.603 4.340 0.000 0.000 0.216 287 L C 2.598 179.224 176.870 -0.407 0.000 1.098 287 L CA 1.273 55.961 54.840 -0.253 0.000 0.840 287 L CB -0.621 41.420 42.059 -0.031 0.000 0.981 287 L HN 0.484 nan 8.230 nan 0.000 0.462 288 G N 0.022 108.760 108.800 -0.104 0.000 2.448 288 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 288 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 288 G C 1.631 176.502 174.900 -0.048 0.000 1.135 288 G CA 0.901 45.998 45.100 -0.006 0.000 0.784 288 G HN 0.464 nan 8.290 nan 0.000 0.543 289 S N -0.214 115.458 115.700 -0.046 0.000 2.593 289 S HA 0.248 4.719 4.470 0.000 0.000 0.217 289 S C 2.043 176.696 174.600 0.090 0.000 0.966 289 S CA -0.158 58.083 58.200 0.069 0.000 0.914 289 S CB 0.056 63.350 63.200 0.157 0.000 0.776 289 S HN 0.258 nan 8.310 nan 0.000 0.523 290 L N 1.447 122.550 121.223 -0.200 0.000 1.988 290 L HA 0.034 4.374 4.340 0.000 0.000 0.207 290 L C 2.873 179.652 176.870 -0.151 0.000 1.071 290 L CA 1.523 56.193 54.840 -0.282 0.000 0.744 290 L CB -1.116 40.527 42.059 -0.693 0.000 0.893 290 L HN 0.521 nan 8.230 nan 0.000 0.433 291 G N -0.917 107.749 108.800 -0.223 0.000 2.418 291 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 291 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 291 G C 1.515 176.467 174.900 0.086 0.000 1.158 291 G CA 0.702 45.864 45.100 0.103 0.000 0.771 291 G HN 0.530 nan 8.290 nan 0.000 0.545 292 G N -0.035 108.787 108.800 0.038 0.000 2.469 292 G HA2 -0.244 3.717 3.960 0.000 0.000 0.219 292 G HA3 -0.244 3.717 3.960 0.000 0.000 0.219 292 G C 1.590 176.430 174.900 -0.100 0.000 1.150 292 G CA 0.900 45.970 45.100 -0.051 0.000 0.763 292 G HN 0.514 nan 8.290 nan 0.000 0.561 293 W N 1.302 122.584 121.300 -0.031 0.000 2.453 293 W HA 0.041 4.701 4.660 0.000 0.000 0.289 293 W C 3.171 179.679 176.519 -0.019 0.000 1.215 293 W CA 1.793 59.114 57.345 -0.041 0.000 1.297 293 W CB -0.471 28.934 29.460 -0.092 0.000 1.113 293 W HN 0.231 nan 8.180 nan 0.000 0.551 294 T N -0.852 113.818 114.554 0.193 0.000 2.867 294 T HA -0.226 4.124 4.350 0.000 0.000 0.268 294 T C 1.778 176.553 174.700 0.124 0.000 1.057 294 T CA 1.223 63.402 62.100 0.132 0.000 1.136 294 T CB -0.839 68.077 68.868 0.080 0.000 0.874 294 T HN 0.077 nan 8.240 nan 0.000 0.466 295 L N 1.237 122.518 121.223 0.096 0.000 1.989 295 L HA 0.028 4.368 4.340 0.000 0.000 0.211 295 L C 2.379 179.299 176.870 0.083 0.000 1.071 295 L CA 1.693 56.577 54.840 0.074 0.000 0.749 295 L CB -0.702 41.378 42.059 0.036 0.000 0.890 295 L HN 0.272 nan 8.230 nan 0.000 0.431 296 L N -0.590 120.672 121.223 0.065 0.000 2.083 296 L HA -0.163 4.177 4.340 0.000 0.000 0.209 296 L C 2.757 179.753 176.870 0.210 0.000 1.083 296 L CA 1.025 55.928 54.840 0.105 0.000 0.752 296 L CB -1.268 40.831 42.059 0.067 0.000 0.899 296 L HN 0.426 nan 8.230 nan 0.000 0.433 297 A N 0.984 123.942 122.820 0.231 0.000 1.873 297 A HA -0.191 4.129 4.320 0.000 0.000 0.218 297 A C 2.418 180.244 177.584 0.404 0.000 1.193 297 A CA 2.121 54.358 52.037 0.334 0.000 0.629 297 A CB -1.381 17.771 19.000 0.255 0.000 0.826 297 A HN 0.442 nan 8.150 nan 0.000 0.447 298 G N -1.859 107.111 108.800 0.284 0.000 2.448 298 G HA2 -0.101 3.859 3.960 0.000 0.000 0.218 298 G HA3 -0.101 3.859 3.960 0.000 0.000 0.218 298 G C 1.584 176.576 174.900 0.153 0.000 1.135 298 G CA 0.849 46.098 45.100 0.248 0.000 0.784 298 G HN 0.451 nan 8.290 nan 0.000 0.543 299 Q N 0.137 120.009 119.800 0.120 0.000 1.990 299 Q HA -0.102 4.239 4.340 0.000 0.000 0.200 299 Q C 2.761 178.762 176.000 0.002 0.000 0.980 299 Q CA 1.771 57.609 55.803 0.060 0.000 0.832 299 Q CB -1.172 27.595 28.738 0.048 0.000 0.897 299 Q HN 0.468 nan 8.270 nan 0.000 0.427 300 T N 0.576 115.135 114.554 0.008 0.000 2.803 300 T HA -0.110 4.240 4.350 0.000 0.000 0.269 300 T C 1.755 176.247 174.700 -0.346 0.000 1.052 300 T CA 1.484 63.506 62.100 -0.130 0.000 1.136 300 T CB -0.093 68.774 68.868 -0.002 0.000 0.864 300 T HN 0.327 nan 8.240 nan 0.000 0.467 301 A N 1.132 123.786 122.820 -0.277 0.000 1.873 301 A HA -0.006 4.314 4.320 0.000 0.000 0.215 301 A C 2.372 179.831 177.584 -0.208 0.000 1.186 301 A CA 1.831 53.554 52.037 -0.523 0.000 0.616 301 A CB -0.658 18.127 19.000 -0.358 0.000 0.823 301 A HN 0.571 nan 8.150 nan 0.000 0.442 302 K N -0.342 120.039 120.400 -0.031 0.000 1.985 302 K HA -0.097 4.224 4.320 0.000 0.000 0.210 302 K C 2.270 178.863 176.600 -0.012 0.000 1.047 302 K CA 1.214 57.526 56.287 0.042 0.000 0.932 302 K CB -0.402 32.137 32.500 0.065 0.000 0.716 302 K HN 0.333 nan 8.250 nan 0.000 0.439 303 A N 1.240 124.024 122.820 -0.060 0.000 1.915 303 A HA -0.259 4.061 4.320 0.000 0.000 0.220 303 A C 2.332 179.881 177.584 -0.060 0.000 1.198 303 A CA 2.539 54.562 52.037 -0.022 0.000 0.647 303 A CB -0.955 18.043 19.000 -0.004 0.000 0.825 303 A HN 0.545 nan 8.150 nan 0.000 0.456 304 A N -0.559 122.002 122.820 -0.431 0.000 1.855 304 A HA 0.211 4.531 4.320 0.000 0.000 0.215 304 A C 2.570 180.162 177.584 0.014 0.000 1.191 304 A CA 2.183 53.946 52.037 -0.458 0.000 0.613 304 A CB -1.191 17.323 19.000 -0.810 0.000 0.829 304 A HN 1.225 nan 8.150 nan 0.000 0.442 305 A N 0.136 122.995 122.820 0.065 0.000 1.917 305 A HA -0.247 4.073 4.320 0.000 0.000 0.219 305 A C 1.703 179.378 177.584 0.152 0.000 1.182 305 A CA 2.000 54.154 52.037 0.195 0.000 0.633 305 A CB -0.743 18.407 19.000 0.250 0.000 0.819 305 A HN 0.466 nan 8.150 nan 0.000 0.448 306 D N 0.456 120.926 120.400 0.116 0.000 2.309 306 D HA -0.042 4.598 4.640 0.000 0.000 0.212 306 D C -0.102 176.272 176.300 0.124 0.000 0.968 306 D CA 0.869 54.933 54.000 0.107 0.000 0.882 306 D CB -0.119 40.735 40.800 0.090 0.000 0.918 306 D HN 0.464 nan 8.370 nan 0.000 0.503 307 D N -1.749 118.749 120.400 0.163 0.000 2.494 307 D HA 0.271 4.911 4.640 0.000 0.000 0.259 307 D C 1.458 177.882 176.300 0.207 0.000 1.109 307 D CA -0.664 53.445 54.000 0.182 0.000 1.040 307 D CB 0.531 41.472 40.800 0.236 0.000 1.175 307 D HN -0.084 nan 8.370 nan 0.000 0.584 308 G N -0.464 108.461 108.800 0.209 0.000 2.740 308 G HA2 0.063 4.024 3.960 0.000 0.000 0.208 308 G HA3 0.063 4.024 3.960 0.000 0.000 0.208 308 G C 0.241 175.382 174.900 0.402 0.000 1.148 308 G CA 0.413 45.661 45.100 0.248 0.000 0.795 308 G HN 0.244 nan 8.290 nan 0.000 0.526 309 L N -0.732 120.722 121.223 0.384 0.000 2.319 309 L HA 0.675 5.015 4.340 0.000 0.000 0.281 309 L C -0.693 176.494 176.870 0.528 0.000 1.005 309 L CA -1.000 54.111 54.840 0.452 0.000 0.828 309 L CB 1.065 43.365 42.059 0.402 0.000 1.227 309 L HN 0.054 nan 8.230 nan 0.000 0.415 310 F N 3.305 123.498 119.950 0.404 0.000 2.181 310 F HA -0.144 4.383 4.527 0.000 0.000 0.357 310 F C -2.358 173.535 175.800 0.154 0.000 1.299 310 F CA -1.047 57.077 58.000 0.206 0.000 1.064 310 F CB -0.189 38.763 39.000 -0.079 0.000 3.953 310 F HN 0.361 nan 8.300 nan 0.000 0.306 311 P HA -0.048 nan 4.420 nan 0.000 0.263 311 P C -2.115 175.304 177.300 0.198 0.000 1.162 311 P CA -0.363 62.728 63.100 -0.015 0.000 0.758 311 P CB 0.298 31.972 31.700 -0.044 0.000 0.773 312 P HA -0.121 nan 4.420 nan 0.000 0.218 312 P C 1.125 178.472 177.300 0.079 0.000 1.149 312 P CA 1.003 64.165 63.100 0.102 0.000 0.817 312 P CB -0.243 31.481 31.700 0.040 0.000 0.785 313 I N -1.614 118.943 120.570 -0.022 0.000 2.399 313 I HA -0.217 3.953 4.170 0.000 0.000 0.254 313 I C 1.537 177.538 176.117 -0.194 0.000 1.146 313 I CA 1.425 62.622 61.300 -0.172 0.000 1.412 313 I CB -1.428 36.361 38.000 -0.350 0.000 1.076 313 I HN -0.130 nan 8.210 nan 0.000 0.432 314 F N 0.939 120.904 119.950 0.023 0.000 2.754 314 F HA 0.322 4.849 4.527 0.000 0.000 0.303 314 F C 0.999 176.828 175.800 0.048 0.000 1.196 314 F CA 0.154 58.186 58.000 0.054 0.000 1.416 314 F CB -0.475 38.590 39.000 0.108 0.000 1.092 314 F HN -0.013 nan 8.300 nan 0.000 0.541 315 A N 0.332 123.239 122.820 0.145 0.000 2.476 315 A HA 0.795 5.115 4.320 0.000 0.000 0.280 315 A C -0.470 177.148 177.584 0.056 0.000 1.081 315 A CA -0.617 51.482 52.037 0.102 0.000 0.753 315 A CB 0.946 20.011 19.000 0.108 0.000 1.248 315 A HN 0.208 nan 8.150 nan 0.000 0.424 323 P HA 0.543 nan 4.420 nan 0.000 0.327 323 P C -0.627 176.702 177.300 0.050 0.000 1.342 323 P CA -0.370 62.757 63.100 0.045 0.000 0.761 323 P CB 0.336 32.064 31.700 0.046 0.000 1.675 324 V N -0.911 119.039 119.914 0.060 0.000 2.483 324 V HA 0.452 4.572 4.120 0.000 0.000 0.295 324 V C 1.180 177.307 176.094 0.056 0.000 1.035 324 V CA 0.018 62.358 62.300 0.067 0.000 0.896 324 V CB 0.697 32.578 31.823 0.097 0.000 0.986 324 V HN 0.754 nan 8.190 nan 0.000 0.447 325 A N 3.371 126.214 122.820 0.038 0.000 1.943 325 A HA 0.207 4.527 4.320 0.000 0.000 0.213 325 A C 1.982 179.572 177.584 0.008 0.000 1.181 325 A CA 1.089 53.140 52.037 0.023 0.000 0.653 325 A CB -0.616 18.389 19.000 0.009 0.000 0.833 325 A HN 1.080 nan 8.150 nan 0.000 0.451 326 G N -0.419 108.369 108.800 -0.020 0.000 3.094 326 G HA2 0.094 4.055 3.960 0.000 0.000 0.208 326 G HA3 0.094 4.055 3.960 0.000 0.000 0.208 326 G C 0.993 175.905 174.900 0.020 0.000 1.189 326 G CA 0.063 45.108 45.100 -0.091 0.000 0.856 326 G HN 0.340 nan 8.290 nan 0.000 0.510 327 L N -0.005 121.257 121.223 0.064 0.000 2.456 327 L HA 0.162 4.502 4.340 0.000 0.000 0.224 327 L C 2.270 179.154 176.870 0.023 0.000 1.148 327 L CA 1.039 55.931 54.840 0.086 0.000 0.825 327 L CB -0.241 41.864 42.059 0.076 0.000 0.937 327 L HN 0.327 nan 8.230 nan 0.000 0.450 328 L N -1.431 119.801 121.223 0.016 0.000 2.307 328 L HA -0.078 4.262 4.340 0.000 0.000 0.211 328 L C 2.357 179.202 176.870 -0.042 0.000 1.099 328 L CA 0.378 55.219 54.840 0.001 0.000 0.816 328 L CB -0.240 41.901 42.059 0.137 0.000 0.952 328 L HN 0.112 nan 8.230 nan 0.000 0.455 329 I N -0.369 120.189 120.570 -0.019 0.000 2.423 329 I HA -0.234 3.936 4.170 0.000 0.000 0.254 329 I C 2.397 178.471 176.117 -0.072 0.000 1.151 329 I CA 0.916 62.209 61.300 -0.012 0.000 1.421 329 I CB -0.411 37.581 38.000 -0.013 0.000 1.079 329 I HN 0.052 nan 8.210 nan 0.000 0.431 330 V N 1.177 121.036 119.914 -0.092 0.000 2.379 330 V HA -0.128 3.992 4.120 0.000 0.000 0.245 330 V C 2.636 178.437 176.094 -0.488 0.000 1.044 330 V CA 2.048 64.134 62.300 -0.356 0.000 1.036 330 V CB -1.195 30.526 31.823 -0.169 0.000 0.664 330 V HN 0.546 nan 8.190 nan 0.000 0.453 331 G N -0.189 108.316 108.800 -0.491 0.000 2.402 331 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 331 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 331 G C 1.683 176.219 174.900 -0.606 0.000 1.162 331 G CA 1.138 45.708 45.100 -0.884 0.000 0.777 331 G HN 0.356 nan 8.290 nan 0.000 0.539 332 V N 0.861 120.643 119.914 -0.221 0.000 2.392 332 V HA -0.121 3.999 4.120 0.000 0.000 0.249 332 V C 2.876 178.953 176.094 -0.029 0.000 1.059 332 V CA 1.408 63.766 62.300 0.096 0.000 1.051 332 V CB -0.302 31.603 31.823 0.137 0.000 0.658 332 V HN 0.340 nan 8.190 nan 0.000 0.455 333 L N -1.513 119.560 121.223 -0.249 0.000 2.095 333 L HA -0.114 4.226 4.340 0.000 0.000 0.204 333 L C 2.479 179.181 176.870 -0.280 0.000 1.080 333 L CA 1.352 55.969 54.840 -0.372 0.000 0.759 333 L CB -0.414 41.074 42.059 -0.953 0.000 0.914 333 L HN 0.289 nan 8.230 nan 0.000 0.439 334 M N -0.351 119.042 119.600 -0.344 0.000 2.279 334 M HA -0.159 4.321 4.480 0.000 0.000 0.264 334 M C 2.287 178.557 176.300 -0.051 0.000 1.062 334 M CA 2.130 57.363 55.300 -0.112 0.000 1.099 334 M CB -0.545 31.950 32.600 -0.175 0.000 1.394 334 M HN 0.445 nan 8.290 nan 0.000 0.426 335 T N -1.227 113.282 114.554 -0.076 0.000 2.851 335 T HA 0.031 4.381 4.350 0.000 0.000 0.262 335 T C 1.687 176.311 174.700 -0.128 0.000 1.043 335 T CA 0.686 62.711 62.100 -0.124 0.000 1.140 335 T CB -0.598 68.303 68.868 0.055 0.000 0.872 335 T HN 0.308 nan 8.240 nan 0.000 0.446 336 I N 0.136 120.768 120.570 0.102 0.000 2.208 336 I HA -0.073 4.098 4.170 0.000 0.000 0.245 336 I C 1.767 178.023 176.117 0.232 0.000 1.097 336 I CA 1.603 63.038 61.300 0.225 0.000 1.363 336 I CB -0.373 37.817 38.000 0.316 0.000 1.051 336 I HN 0.173 nan 8.210 nan 0.000 0.413 337 F N -0.019 119.953 119.950 0.036 0.000 2.773 337 F HA -0.024 4.503 4.527 0.000 0.000 0.304 337 F C 2.299 178.101 175.800 0.003 0.000 1.129 337 F CA -0.121 57.916 58.000 0.061 0.000 1.378 337 F CB 0.129 39.220 39.000 0.152 0.000 1.095 337 F HN 0.073 nan 8.300 nan 0.000 0.565 338 Q N -0.194 119.643 119.800 0.061 0.000 2.226 338 Q HA -0.013 4.328 4.340 0.000 0.000 0.199 338 Q C 1.707 177.709 176.000 0.003 0.000 0.945 338 Q CA 1.489 57.263 55.803 -0.049 0.000 0.861 338 Q CB -0.233 28.384 28.738 -0.202 0.000 0.953 338 Q HN 0.243 nan 8.270 nan 0.000 0.490 339 F N 0.443 120.423 119.950 0.050 0.000 2.163 339 F HA 0.098 4.625 4.527 0.000 0.000 0.297 339 F C 1.640 177.424 175.800 -0.026 0.000 1.094 339 F CA 0.873 58.882 58.000 0.015 0.000 1.290 339 F CB -0.653 38.361 39.000 0.023 0.000 1.017 339 F HN -0.120 nan 8.300 nan 0.000 0.483 340 S N -0.056 115.716 115.700 0.121 0.000 3.033 340 S HA 0.104 4.574 4.470 0.000 0.000 0.258 340 S C 1.057 175.626 174.600 -0.052 0.000 1.207 340 S CA 0.633 58.817 58.200 -0.027 0.000 1.248 340 S CB -0.794 62.293 63.200 -0.188 0.000 0.932 340 S HN 0.444 nan 8.310 nan 0.000 0.472 341 S N -1.309 114.395 115.700 0.007 0.000 2.184 341 S HA 0.213 4.683 4.470 0.000 0.000 0.253 341 S C 0.986 175.591 174.600 0.009 0.000 0.950 341 S CA -0.370 57.825 58.200 -0.010 0.000 1.541 341 S CB -0.112 63.081 63.200 -0.011 0.000 1.172 341 S HN 0.295 nan 8.310 nan 0.000 0.577 342 M N 1.770 121.399 119.600 0.048 0.000 2.940 342 M HA 0.374 4.854 4.480 0.000 0.000 0.248 342 M C 1.968 178.295 176.300 0.045 0.000 1.379 342 M CA 1.217 56.548 55.300 0.052 0.000 1.262 342 M CB -1.225 31.430 32.600 0.092 0.000 1.201 342 M HN 0.341 nan 8.290 nan 0.000 0.553 343 S N 0.550 116.289 115.700 0.066 0.000 2.335 343 S HA 0.050 4.520 4.470 0.000 0.000 0.217 343 S C -1.548 173.050 174.600 -0.003 0.000 1.032 343 S CA 0.379 58.591 58.200 0.021 0.000 0.985 343 S CB -1.697 61.498 63.200 -0.009 0.000 0.896 343 S HN 0.281 nan 8.310 nan 0.000 0.445 344 P HA 0.223 nan 4.420 nan 0.000 0.268 344 P C 0.229 177.518 177.300 -0.018 0.000 1.205 344 P CA -0.011 63.078 63.100 -0.019 0.000 0.771 344 P CB 0.327 32.012 31.700 -0.025 0.000 0.858 345 N N 1.124 119.812 118.700 -0.021 0.000 2.120 345 N HA -0.086 4.654 4.740 0.000 0.000 0.188 345 N C 0.427 175.922 175.510 -0.025 0.000 1.024 345 N CA 1.176 54.214 53.050 -0.020 0.000 0.852 345 N CB -0.299 38.176 38.487 -0.019 0.000 1.003 345 N HN 0.481 nan 8.380 nan 0.000 0.424 346 A N -1.463 121.339 122.820 -0.030 0.000 2.335 346 A HA 0.714 5.035 4.320 0.000 0.000 0.304 346 A C 0.519 178.075 177.584 -0.047 0.000 1.118 346 A CA 0.127 52.142 52.037 -0.036 0.000 0.757 346 A CB 1.515 20.495 19.000 -0.033 0.000 1.188 346 A HN 0.386 nan 8.150 nan 0.000 0.460 347 A N 0.982 123.767 122.820 -0.058 0.000 3.645 347 A HA -0.099 4.221 4.320 0.000 0.000 0.235 347 A C 1.818 179.365 177.584 -0.061 0.000 0.973 347 A CA 1.953 53.957 52.037 -0.055 0.000 1.703 347 A CB -2.311 16.664 19.000 -0.041 0.000 0.886 347 A HN 2.168 nan 8.150 nan 0.000 0.780 348 K N -1.425 118.939 120.400 -0.061 0.000 2.097 348 K HA 0.257 4.577 4.320 0.000 0.000 0.205 348 K C 2.236 178.782 176.600 -0.089 0.000 1.050 348 K CA 2.508 58.757 56.287 -0.063 0.000 0.938 348 K CB -1.321 31.148 32.500 -0.051 0.000 0.718 348 K HN 1.766 nan 8.250 nan 0.000 0.442 349 E N -0.876 119.261 120.200 -0.105 0.000 2.102 349 E HA 0.245 4.595 4.350 0.000 0.000 0.190 349 E C 2.361 178.884 176.600 -0.129 0.000 0.971 349 E CA 1.213 57.528 56.400 -0.141 0.000 0.821 349 E CB -1.147 28.466 29.700 -0.145 0.000 0.777 349 E HN 0.933 nan 8.360 nan 0.000 0.460 350 F N 1.557 121.443 119.950 -0.108 0.000 2.171 350 F HA 0.258 4.786 4.527 0.000 0.000 0.300 350 F C 2.833 178.584 175.800 -0.082 0.000 1.090 350 F CA 1.733 59.682 58.000 -0.084 0.000 1.293 350 F CB -1.275 37.678 39.000 -0.078 0.000 1.013 350 F HN 0.436 nan 8.300 nan 0.000 0.486 351 G N -0.580 108.168 108.800 -0.087 0.000 2.422 351 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 351 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 351 G C 1.725 176.558 174.900 -0.111 0.000 1.146 351 G CA 1.275 46.321 45.100 -0.090 0.000 0.769 351 G HN 0.613 nan 8.290 nan 0.000 0.547 352 L N 0.307 121.455 121.223 -0.125 0.000 2.253 352 L HA 0.260 4.600 4.340 0.000 0.000 0.205 352 L C 2.772 179.535 176.870 -0.179 0.000 1.078 352 L CA 0.809 55.565 54.840 -0.140 0.000 0.805 352 L CB -0.177 41.802 42.059 -0.134 0.000 0.963 352 L HN 0.014 nan 8.230 nan 0.000 0.459 353 V N -0.583 119.220 119.914 -0.186 0.000 2.380 353 V HA -0.323 3.797 4.120 0.000 0.000 0.251 353 V C 2.755 178.706 176.094 -0.239 0.000 1.063 353 V CA 1.987 64.165 62.300 -0.202 0.000 1.055 353 V CB -0.895 30.855 31.823 -0.122 0.000 0.657 353 V HN 0.634 nan 8.190 nan 0.000 0.455 354 S N 0.062 115.640 115.700 -0.203 0.000 2.442 354 S HA -0.158 4.312 4.470 0.000 0.000 0.236 354 S C 2.098 176.530 174.600 -0.281 0.000 1.007 354 S CA 1.742 59.800 58.200 -0.235 0.000 0.965 354 S CB -0.230 62.861 63.200 -0.182 0.000 0.773 354 S HN 0.859 nan 8.310 nan 0.000 0.504 355 S N -0.464 115.075 115.700 -0.269 0.000 2.492 355 S HA 0.138 4.608 4.470 0.000 0.000 0.218 355 S C 1.664 176.056 174.600 -0.347 0.000 1.016 355 S CA 0.470 58.494 58.200 -0.293 0.000 0.916 355 S CB -0.167 62.887 63.200 -0.244 0.000 0.791 355 S HN 0.300 nan 8.310 nan 0.000 0.513 356 V N 3.541 123.235 119.914 -0.366 0.000 2.358 356 V HA -0.137 3.983 4.120 0.000 0.000 0.246 356 V C 3.065 178.666 176.094 -0.820 0.000 1.047 356 V CA 1.943 63.961 62.300 -0.471 0.000 1.035 356 V CB -1.241 30.338 31.823 -0.407 0.000 0.658 356 V HN 0.782 nan 8.190 nan 0.000 0.452 357 S N 0.398 115.601 115.700 -0.827 0.000 2.440 357 S HA -0.171 4.299 4.470 0.000 0.000 0.238 357 S C 1.855 176.176 174.600 -0.465 0.000 1.010 357 S CA 1.581 59.278 58.200 -0.838 0.000 0.972 357 S CB -0.755 62.121 63.200 -0.540 0.000 0.774 357 S HN 0.386 nan 8.310 nan 0.000 0.501 358 V N 1.924 121.613 119.914 -0.375 0.000 2.427 358 V HA -0.067 4.053 4.120 0.000 0.000 0.248 358 V C 2.359 178.488 176.094 0.058 0.000 1.051 358 V CA 1.543 63.737 62.300 -0.177 0.000 1.048 358 V CB -0.823 30.831 31.823 -0.282 0.000 0.666 358 V HN 0.525 nan 8.190 nan 0.000 0.456 359 I N -0.930 119.618 120.570 -0.037 0.000 2.439 359 I HA -0.151 4.020 4.170 0.000 0.000 0.251 359 I C 2.358 178.640 176.117 0.274 0.000 1.139 359 I CA 1.440 62.864 61.300 0.206 0.000 1.438 359 I CB -0.409 37.663 38.000 0.120 0.000 1.085 359 I HN 0.234 nan 8.210 nan 0.000 0.427 360 F N 0.699 120.678 119.950 0.048 0.000 2.120 360 F HA -0.312 4.215 4.527 0.000 0.000 0.300 360 F C 2.755 178.571 175.800 0.026 0.000 1.095 360 F CA 1.209 59.216 58.000 0.011 0.000 1.249 360 F CB -0.604 38.360 39.000 -0.059 0.000 0.995 360 F HN 0.042 nan 8.300 nan 0.000 0.480 361 T N 0.459 115.156 114.554 0.238 0.000 2.977 361 T HA -0.096 4.254 4.350 0.000 0.000 0.271 361 T C 1.774 176.549 174.700 0.125 0.000 1.105 361 T CA 0.693 62.887 62.100 0.157 0.000 1.116 361 T CB -0.243 68.725 68.868 0.166 0.000 0.878 361 T HN 0.174 nan 8.240 nan 0.000 0.509 362 L N -0.070 121.291 121.223 0.230 0.000 2.341 362 L HA 0.061 4.402 4.340 0.000 0.000 0.214 362 L C 2.368 179.300 176.870 0.103 0.000 1.115 362 L CA 0.287 55.274 54.840 0.244 0.000 0.820 362 L CB -0.078 42.077 42.059 0.159 0.000 0.944 362 L HN 0.167 nan 8.230 nan 0.000 0.452 363 V N 0.924 120.848 119.914 0.017 0.000 2.307 363 V HA -0.136 3.984 4.120 0.000 0.000 0.245 363 V C -0.195 175.738 176.094 -0.269 0.000 1.045 363 V CA 1.840 64.026 62.300 -0.190 0.000 1.024 363 V CB -1.609 30.105 31.823 -0.182 0.000 0.651 363 V HN 0.343 nan 8.190 nan 0.000 0.449 364 P HA -0.188 nan 4.420 nan 0.000 0.215 364 P C 1.408 178.758 177.300 0.082 0.000 1.157 364 P CA 1.712 64.798 63.100 -0.024 0.000 0.868 364 P CB -0.222 31.440 31.700 -0.063 0.000 0.788 365 Y N -0.186 120.201 120.300 0.144 0.000 2.139 365 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 365 Y C 2.633 178.584 175.900 0.085 0.000 1.179 365 Y CA 0.813 59.019 58.100 0.177 0.000 1.161 365 Y CB -1.732 36.779 38.460 0.084 0.000 0.970 365 Y HN -0.129 nan 8.280 nan 0.000 0.511 366 L N -1.029 120.299 121.223 0.175 0.000 1.961 366 L HA -0.254 4.087 4.340 0.000 0.000 0.210 366 L C 2.128 179.193 176.870 0.325 0.000 1.072 366 L CA 1.871 56.823 54.840 0.188 0.000 0.749 366 L CB -1.266 40.766 42.059 -0.046 0.000 0.889 366 L HN 0.145 nan 8.230 nan 0.000 0.432 367 Y N 0.174 120.620 120.300 0.243 0.000 2.256 367 Y HA -0.206 4.344 4.550 0.000 0.000 0.288 367 Y C 2.673 178.682 175.900 0.182 0.000 1.155 367 Y CA 1.386 59.662 58.100 0.292 0.000 1.203 367 Y CB -1.954 36.659 38.460 0.254 0.000 0.980 367 Y HN 0.283 nan 8.280 nan 0.000 0.530 368 T N -0.813 113.867 114.554 0.210 0.000 2.720 368 T HA -0.233 4.117 4.350 0.000 0.000 0.268 368 T C 2.204 176.818 174.700 -0.142 0.000 1.037 368 T CA 1.662 63.738 62.100 -0.040 0.000 1.144 368 T CB -0.941 67.704 68.868 -0.373 0.000 0.864 368 T HN 0.419 nan 8.240 nan 0.000 0.444 369 C N 1.876 121.089 119.300 -0.144 0.000 2.442 369 C HA 0.050 4.510 4.460 0.000 0.000 0.279 369 C C 3.284 178.147 174.990 -0.211 0.000 1.237 369 C CA 0.318 59.108 59.018 -0.380 0.000 1.722 369 C CB -1.548 25.621 27.740 -0.951 0.000 2.056 369 C HN 0.662 nan 8.230 nan 0.000 0.469 370 A N 0.459 123.382 122.820 0.172 0.000 2.032 370 A HA -0.021 4.299 4.320 0.000 0.000 0.221 370 A C 2.264 179.880 177.584 0.054 0.000 1.165 370 A CA 2.283 54.551 52.037 0.384 0.000 0.645 370 A CB -0.705 18.710 19.000 0.691 0.000 0.807 370 A HN 0.646 nan 8.150 nan 0.000 0.453 371 A N -0.696 122.101 122.820 -0.038 0.000 1.855 371 A HA 0.085 4.405 4.320 0.000 0.000 0.213 371 A C 1.987 179.432 177.584 -0.232 0.000 1.195 371 A CA 1.416 53.340 52.037 -0.188 0.000 0.610 371 A CB -0.653 18.261 19.000 -0.143 0.000 0.837 371 A HN 0.684 nan 8.150 nan 0.000 0.444 372 L N -0.308 120.778 121.223 -0.230 0.000 2.349 372 L HA -0.104 4.236 4.340 0.000 0.000 0.220 372 L C 1.969 178.768 176.870 -0.118 0.000 1.130 372 L CA 1.360 56.059 54.840 -0.235 0.000 0.791 372 L CB -0.383 41.541 42.059 -0.224 0.000 0.918 372 L HN 0.417 nan 8.230 nan 0.000 0.444 373 L N -2.290 118.903 121.223 -0.051 0.000 2.116 373 L HA -0.082 4.258 4.340 0.000 0.000 0.200 373 L C 2.286 179.089 176.870 -0.112 0.000 1.084 373 L CA 0.648 55.527 54.840 0.065 0.000 0.766 373 L CB -0.500 41.648 42.059 0.148 0.000 0.930 373 L HN 0.120 nan 8.230 nan 0.000 0.453 374 L N -0.262 120.859 121.223 -0.171 0.000 2.079 374 L HA -0.246 4.094 4.340 0.000 0.000 0.210 374 L C 2.379 178.919 176.870 -0.551 0.000 1.081 374 L CA 1.333 55.987 54.840 -0.310 0.000 0.752 374 L CB -0.358 41.511 42.059 -0.316 0.000 0.896 374 L HN 0.311 nan 8.230 nan 0.000 0.433 375 L N -1.084 119.861 121.223 -0.463 0.000 2.185 375 L HA 0.081 4.421 4.340 0.000 0.000 0.198 375 L C 2.004 178.615 176.870 -0.433 0.000 1.079 375 L CA 0.855 55.425 54.840 -0.451 0.000 0.780 375 L CB -0.557 41.298 42.059 -0.340 0.000 0.955 375 L HN 0.200 nan 8.230 nan 0.000 0.462 376 G N -1.199 107.355 108.800 -0.410 0.000 3.424 376 G HA2 -0.052 3.909 3.960 0.000 0.000 0.263 376 G HA3 -0.052 3.909 3.960 0.000 0.000 0.263 376 G C 0.829 175.301 174.900 -0.714 0.000 1.310 376 G CA -0.214 44.639 45.100 -0.412 0.000 1.089 376 G HN 0.690 nan 8.290 nan 0.000 0.534 377 H N -2.969 115.701 119.070 -0.667 0.000 2.563 377 H HA 0.168 4.724 4.556 0.000 0.000 0.272 377 H C 1.861 176.856 175.328 -0.556 0.000 1.005 377 H CA 0.128 55.706 56.048 -0.784 0.000 1.171 377 H CB 0.463 30.071 29.762 -0.257 0.000 1.351 377 H HN 0.210 nan 8.280 nan 0.000 0.602 378 G N 0.412 109.094 108.800 -0.198 0.000 2.727 378 G HA2 -0.088 3.872 3.960 0.000 0.000 0.203 378 G HA3 -0.088 3.872 3.960 0.000 0.000 0.203 378 G C 0.533 175.301 174.900 -0.220 0.000 1.117 378 G CA -0.259 44.708 45.100 -0.221 0.000 0.817 378 G HN 0.410 nan 8.290 nan 0.000 0.553 379 H N 0.089 119.027 119.070 -0.220 0.000 2.612 379 H HA 0.307 4.863 4.556 0.000 0.000 0.285 379 H C 1.421 176.779 175.328 0.051 0.000 1.066 379 H CA -0.351 55.640 56.048 -0.095 0.000 1.180 379 H CB -0.470 29.222 29.762 -0.118 0.000 1.312 379 H HN 0.385 nan 8.280 nan 0.000 0.606 380 F N -0.467 119.550 119.950 0.112 0.000 2.113 380 F HA -0.039 4.488 4.527 0.000 0.000 0.297 380 F C 2.122 178.078 175.800 0.260 0.000 1.103 380 F CA 0.876 58.997 58.000 0.201 0.000 1.248 380 F CB 0.403 39.514 39.000 0.187 0.000 0.999 380 F HN 0.498 nan 8.300 nan 0.000 0.475 381 G N -1.449 107.544 108.800 0.323 0.000 4.366 381 G HA2 0.023 3.983 3.960 0.000 0.000 0.194 381 G HA3 0.023 3.983 3.960 0.000 0.000 0.194 381 G C 0.177 175.137 174.900 0.100 0.000 1.275 381 G CA -0.103 45.107 45.100 0.183 0.000 0.847 381 G HN 0.183 nan 8.290 nan 0.000 0.299 382 K N 1.081 121.537 120.400 0.094 0.000 2.206 382 K HA 0.825 5.145 4.320 0.000 0.000 0.268 382 K C 0.513 177.167 176.600 0.089 0.000 1.111 382 K CA 0.439 56.816 56.287 0.150 0.000 0.955 382 K CB 0.580 33.158 32.500 0.131 0.000 1.406 382 K HN 1.557 nan 8.250 nan 0.000 0.427 383 A N 2.383 125.251 122.820 0.079 0.000 2.728 383 A HA 0.145 4.465 4.320 0.000 0.000 0.258 383 A C 1.843 179.360 177.584 -0.111 0.000 1.454 383 A CA 0.051 52.055 52.037 -0.055 0.000 1.146 383 A CB -0.706 18.196 19.000 -0.164 0.000 0.985 383 A HN 0.881 nan 8.150 nan 0.000 0.603 384 R N 0.724 121.204 120.500 -0.033 0.000 2.115 384 R HA -0.172 4.168 4.340 0.000 0.000 0.239 384 R C -1.025 175.152 176.300 -0.204 0.000 1.133 384 R CA 2.537 58.563 56.100 -0.124 0.000 0.935 384 R CB -1.120 29.221 30.300 0.068 0.000 0.853 384 R HN 0.394 nan 8.270 nan 0.000 0.433 385 P HA -0.165 nan 4.420 nan 0.000 0.216 385 P C 1.425 178.640 177.300 -0.141 0.000 1.150 385 P CA 1.150 64.184 63.100 -0.110 0.000 0.837 385 P CB -0.143 31.508 31.700 -0.082 0.000 0.786 386 L N -2.368 118.743 121.223 -0.187 0.000 2.017 386 L HA -0.206 4.134 4.340 0.000 0.000 0.208 386 L C 2.332 179.056 176.870 -0.244 0.000 1.073 386 L CA 1.761 56.466 54.840 -0.225 0.000 0.745 386 L CB -0.663 41.218 42.059 -0.297 0.000 0.894 386 L HN -0.094 nan 8.230 nan 0.000 0.432 387 Y N -0.596 119.503 120.300 -0.335 0.000 2.200 387 Y HA -0.231 4.319 4.550 0.000 0.000 0.290 387 Y C 2.254 177.945 175.900 -0.350 0.000 1.137 387 Y CA 1.362 59.200 58.100 -0.438 0.000 1.163 387 Y CB -0.559 37.328 38.460 -0.956 0.000 0.988 387 Y HN 0.168 nan 8.280 nan 0.000 0.518 388 L N -0.913 120.193 121.223 -0.194 0.000 2.353 388 L HA -0.160 4.181 4.340 0.000 0.000 0.220 388 L C 1.866 178.748 176.870 0.021 0.000 1.133 388 L CA 1.233 56.033 54.840 -0.067 0.000 0.798 388 L CB -0.477 41.546 42.059 -0.059 0.000 0.922 388 L HN 0.202 nan 8.230 nan 0.000 0.445 389 L N -1.550 119.672 121.223 -0.001 0.000 2.286 389 L HA 0.091 4.431 4.340 0.000 0.000 0.203 389 L C 2.153 179.086 176.870 0.104 0.000 1.068 389 L CA 1.178 56.055 54.840 0.062 0.000 0.811 389 L CB -0.227 41.830 42.059 -0.003 0.000 0.989 389 L HN 0.123 nan 8.230 nan 0.000 0.467 390 I N -0.189 120.400 120.570 0.032 0.000 2.194 390 I HA -0.346 3.824 4.170 0.000 0.000 0.246 390 I C 2.213 178.339 176.117 0.014 0.000 1.093 390 I CA 1.968 63.280 61.300 0.020 0.000 1.355 390 I CB -0.682 37.330 38.000 0.022 0.000 1.046 390 I HN 0.439 nan 8.210 nan 0.000 0.413 391 T N -1.673 112.888 114.554 0.011 0.000 2.962 391 T HA -0.194 4.157 4.350 0.000 0.000 0.270 391 T C 1.686 176.354 174.700 -0.054 0.000 1.088 391 T CA 0.722 62.758 62.100 -0.106 0.000 1.127 391 T CB -0.695 68.097 68.868 -0.126 0.000 0.883 391 T HN 0.388 nan 8.240 nan 0.000 0.493 392 F N 1.566 121.523 119.950 0.012 0.000 2.293 392 F HA 0.131 4.658 4.527 0.000 0.000 0.297 392 F C 2.047 177.905 175.800 0.097 0.000 1.089 392 F CA 0.360 58.444 58.000 0.139 0.000 1.377 392 F CB -0.015 39.039 39.000 0.091 0.000 1.051 392 F HN -0.036 nan 8.300 nan 0.000 0.511 393 V N 0.552 120.443 119.914 -0.038 0.000 2.283 393 V HA -0.239 3.881 4.120 0.000 0.000 0.243 393 V C 2.759 178.794 176.094 -0.098 0.000 1.039 393 V CA 1.738 63.953 62.300 -0.141 0.000 1.016 393 V CB -1.374 30.410 31.823 -0.064 0.000 0.650 393 V HN 0.418 nan 8.190 nan 0.000 0.449 394 A N -0.558 122.234 122.820 -0.046 0.000 1.986 394 A HA -0.223 4.097 4.320 0.000 0.000 0.220 394 A C 2.064 179.667 177.584 0.032 0.000 1.171 394 A CA 1.833 53.880 52.037 0.017 0.000 0.640 394 A CB -0.666 18.302 19.000 -0.052 0.000 0.811 394 A HN 0.436 nan 8.150 nan 0.000 0.451 395 F N -0.457 119.441 119.950 -0.087 0.000 2.051 395 F HA -0.119 4.408 4.527 0.000 0.000 0.296 395 F C 2.593 178.278 175.800 -0.192 0.000 1.122 395 F CA 1.118 59.044 58.000 -0.122 0.000 1.201 395 F CB -1.050 37.874 39.000 -0.127 0.000 0.978 395 F HN 0.041 nan 8.300 nan 0.000 0.472 396 V N -0.548 119.281 119.914 -0.143 0.000 2.469 396 V HA -0.342 3.778 4.120 0.000 0.000 0.251 396 V C 2.197 178.225 176.094 -0.109 0.000 1.064 396 V CA 1.865 63.996 62.300 -0.280 0.000 1.066 396 V CB -0.821 30.672 31.823 -0.551 0.000 0.667 396 V HN 0.482 nan 8.190 nan 0.000 0.461 397 Y N -0.046 120.145 120.300 -0.181 0.000 2.030 397 Y HA -0.383 4.167 4.550 0.000 0.000 0.274 397 Y C 2.714 178.570 175.900 -0.075 0.000 1.153 397 Y CA 2.196 60.228 58.100 -0.113 0.000 1.115 397 Y CB -0.343 38.038 38.460 -0.131 0.000 0.969 397 Y HN 0.317 nan 8.280 nan 0.000 0.488 398 C N 0.839 120.016 119.300 -0.206 0.000 2.411 398 C HA -0.194 4.266 4.460 0.000 0.000 0.279 398 C C 2.612 177.537 174.990 -0.109 0.000 1.288 398 C CA 1.059 59.900 59.018 -0.295 0.000 1.764 398 C CB -1.359 26.301 27.740 -0.132 0.000 1.974 398 C HN 0.610 nan 8.230 nan 0.000 0.498 399 I N -1.061 119.501 120.570 -0.014 0.000 2.202 399 I HA -0.193 3.978 4.170 0.000 0.000 0.242 399 I C 2.594 178.808 176.117 0.162 0.000 1.091 399 I CA 1.517 62.837 61.300 0.034 0.000 1.368 399 I CB -0.443 37.549 38.000 -0.013 0.000 1.058 399 I HN 0.414 nan 8.210 nan 0.000 0.410 400 W N 1.423 122.696 121.300 -0.044 0.000 2.355 400 W HA -0.129 4.531 4.660 0.000 0.000 0.309 400 W C 2.841 179.344 176.519 -0.025 0.000 1.206 400 W CA 1.402 58.737 57.345 -0.017 0.000 1.284 400 W CB -0.975 28.488 29.460 0.006 0.000 1.145 400 W HN 0.120 nan 8.180 nan 0.000 0.502 401 A N -0.177 122.694 122.820 0.086 0.000 1.927 401 A HA -0.253 4.067 4.320 0.000 0.000 0.220 401 A C 2.162 179.801 177.584 0.091 0.000 1.185 401 A CA 2.860 54.773 52.037 -0.207 0.000 0.639 401 A CB -1.160 17.366 19.000 -0.792 0.000 0.820 401 A HN 0.092 nan 8.150 nan 0.000 0.451 402 V N 0.137 120.108 119.914 0.095 0.000 2.270 402 V HA -0.258 3.862 4.120 0.000 0.000 0.245 402 V C 2.442 178.645 176.094 0.181 0.000 1.043 402 V CA 1.971 64.394 62.300 0.206 0.000 1.014 402 V CB -0.691 31.201 31.823 0.114 0.000 0.645 402 V HN 0.592 nan 8.190 nan 0.000 0.447 403 I N 0.954 121.604 120.570 0.133 0.000 2.163 403 I HA -0.161 4.009 4.170 0.000 0.000 0.243 403 I C 1.917 178.065 176.117 0.051 0.000 1.085 403 I CA 1.726 63.077 61.300 0.086 0.000 1.347 403 I CB -0.808 37.251 38.000 0.099 0.000 1.044 403 I HN 0.446 nan 8.210 nan 0.000 0.408 404 G N 1.026 109.851 108.800 0.042 0.000 3.284 404 G HA2 0.230 4.190 3.960 0.000 0.000 0.251 404 G HA3 0.230 4.190 3.960 0.000 0.000 0.251 404 G C -0.186 174.799 174.900 0.142 0.000 0.913 404 G CA 0.088 45.202 45.100 0.023 0.000 1.947 404 G HN 0.247 nan 8.290 nan 0.000 0.635 405 S N -0.099 115.662 115.700 0.102 0.000 2.397 405 S HA 0.424 4.894 4.470 0.000 0.000 0.190 405 S C 0.564 175.164 174.600 -0.000 0.000 1.100 405 S CA -0.387 57.846 58.200 0.054 0.000 1.150 405 S CB 0.816 64.100 63.200 0.140 0.000 1.302 405 S HN 0.997 nan 8.310 nan 0.000 0.417 406 G N 1.845 110.629 108.800 -0.027 0.000 2.938 406 G HA2 0.021 3.981 3.960 0.000 0.000 0.324 406 G HA3 0.021 3.981 3.960 0.000 0.000 0.324 406 G C 1.195 176.091 174.900 -0.007 0.000 0.220 406 G CA 0.165 45.251 45.100 -0.024 0.000 1.222 406 G HN 1.080 nan 8.290 nan 0.000 0.274 407 A N 3.643 126.463 122.820 0.001 0.000 1.900 407 A HA -0.324 3.996 4.320 0.000 0.000 0.225 407 A C 2.433 180.028 177.584 0.018 0.000 1.414 407 A CA 2.905 54.946 52.037 0.008 0.000 0.702 407 A CB -0.827 18.174 19.000 0.002 0.000 0.845 407 A HN 1.075 nan 8.150 nan 0.000 0.478 408 K N -0.379 120.036 120.400 0.025 0.000 2.044 408 K HA -0.301 4.019 4.320 0.000 0.000 0.224 408 K C 1.869 178.536 176.600 0.111 0.000 1.056 408 K CA 2.591 58.917 56.287 0.066 0.000 0.962 408 K CB -0.434 32.110 32.500 0.074 0.000 0.730 408 K HN 0.725 nan 8.250 nan 0.000 0.453 409 E N -0.495 119.744 120.200 0.064 0.000 2.048 409 E HA -0.253 4.097 4.350 0.000 0.000 0.202 409 E C 2.047 178.700 176.600 0.088 0.000 1.021 409 E CA 1.933 58.361 56.400 0.047 0.000 0.825 409 E CB -0.386 29.277 29.700 -0.061 0.000 0.756 409 E HN 0.132 nan 8.360 nan 0.000 0.454 410 V N 1.621 121.573 119.914 0.065 0.000 2.324 410 V HA -0.321 3.800 4.120 0.000 0.000 0.250 410 V C 2.402 178.571 176.094 0.124 0.000 1.060 410 V CA 1.949 64.305 62.300 0.093 0.000 1.042 410 V CB -0.472 31.391 31.823 0.067 0.000 0.650 410 V HN 0.382 nan 8.190 nan 0.000 0.450 411 M N -1.494 118.143 119.600 0.063 0.000 2.106 411 M HA -0.281 4.199 4.480 0.000 0.000 0.259 411 M C 2.000 178.272 176.300 -0.047 0.000 1.068 411 M CA 2.372 57.657 55.300 -0.025 0.000 1.100 411 M CB -0.217 32.263 32.600 -0.199 0.000 1.351 411 M HN 0.488 nan 8.290 nan 0.000 0.404 412 W N -0.521 120.845 121.300 0.111 0.000 2.518 412 W HA -0.018 4.642 4.660 0.000 0.000 0.273 412 W C 2.489 179.130 176.519 0.204 0.000 1.247 412 W CA 0.591 58.005 57.345 0.114 0.000 1.288 412 W CB -0.247 29.244 29.460 0.052 0.000 1.107 412 W HN 0.199 nan 8.180 nan 0.000 0.586 413 S N 0.411 116.363 115.700 0.419 0.000 2.359 413 S HA -0.249 4.221 4.470 0.000 0.000 0.224 413 S C 1.591 176.471 174.600 0.467 0.000 1.035 413 S CA 1.415 59.934 58.200 0.532 0.000 1.018 413 S CB -0.840 62.586 63.200 0.377 0.000 0.876 413 S HN 0.369 nan 8.310 nan 0.000 0.448 414 F N 2.008 122.056 119.950 0.163 0.000 2.095 414 F HA -0.184 4.343 4.527 0.000 0.000 0.298 414 F C 2.144 178.000 175.800 0.094 0.000 1.104 414 F CA 0.926 58.980 58.000 0.089 0.000 1.232 414 F CB -0.132 38.882 39.000 0.023 0.000 0.987 414 F HN -0.031 nan 8.300 nan 0.000 0.475 415 V N 0.082 120.030 119.914 0.056 0.000 2.568 415 V HA -0.323 3.798 4.120 0.000 0.000 0.253 415 V C 2.115 178.280 176.094 0.118 0.000 1.072 415 V CA 2.262 64.540 62.300 -0.036 0.000 1.084 415 V CB -1.034 30.814 31.823 0.041 0.000 0.676 415 V HN 0.457 nan 8.190 nan 0.000 0.469 416 T N 0.172 114.867 114.554 0.235 0.000 2.770 416 T HA -0.051 4.299 4.350 0.000 0.000 0.263 416 T C 1.939 176.680 174.700 0.067 0.000 1.039 416 T CA 0.979 63.183 62.100 0.174 0.000 1.142 416 T CB -0.194 68.784 68.868 0.183 0.000 0.868 416 T HN 0.153 nan 8.240 nan 0.000 0.435 417 L N 0.446 121.722 121.223 0.088 0.000 2.013 417 L HA -0.101 4.239 4.340 0.000 0.000 0.212 417 L C 2.535 179.460 176.870 0.090 0.000 1.073 417 L CA 1.796 56.691 54.840 0.093 0.000 0.753 417 L CB -1.177 41.006 42.059 0.206 0.000 0.890 417 L HN 0.324 nan 8.230 nan 0.000 0.432 418 M N -0.809 118.794 119.600 0.004 0.000 2.088 418 M HA -0.220 4.261 4.480 0.000 0.000 0.256 418 M C 2.227 178.559 176.300 0.053 0.000 1.071 418 M CA 1.727 57.002 55.300 -0.042 0.000 1.097 418 M CB -0.432 32.057 32.600 -0.184 0.000 1.315 418 M HN -0.030 nan 8.290 nan 0.000 0.406 419 V N -0.065 119.896 119.914 0.078 0.000 2.270 419 V HA -0.285 3.835 4.120 0.000 0.000 0.245 419 V C 2.289 178.482 176.094 0.164 0.000 1.043 419 V CA 1.569 63.941 62.300 0.119 0.000 1.014 419 V CB -0.693 31.210 31.823 0.134 0.000 0.645 419 V HN 0.427 nan 8.190 nan 0.000 0.447 420 I N 0.276 120.937 120.570 0.152 0.000 2.113 420 I HA -0.335 3.835 4.170 0.000 0.000 0.242 420 I C 2.543 178.882 176.117 0.369 0.000 1.057 420 I CA 2.444 63.869 61.300 0.208 0.000 1.314 420 I CB -1.830 36.208 38.000 0.064 0.000 1.022 420 I HN 0.361 nan 8.210 nan 0.000 0.408 421 T N 1.338 116.100 114.554 0.347 0.000 2.607 421 T HA -0.231 4.119 4.350 0.000 0.000 0.267 421 T C 2.008 176.891 174.700 0.305 0.000 1.049 421 T CA 2.223 64.582 62.100 0.432 0.000 1.162 421 T CB -0.506 68.547 68.868 0.308 0.000 0.863 421 T HN 0.524 nan 8.240 nan 0.000 0.424 422 A N 1.021 123.960 122.820 0.199 0.000 1.908 422 A HA -0.060 4.260 4.320 0.000 0.000 0.218 422 A C 2.258 179.949 177.584 0.180 0.000 1.181 422 A CA 1.553 53.676 52.037 0.143 0.000 0.627 422 A CB -0.946 18.115 19.000 0.101 0.000 0.818 422 A HN 0.416 nan 8.150 nan 0.000 0.445 423 L N -1.728 119.638 121.223 0.238 0.000 2.187 423 L HA -0.174 4.166 4.340 0.000 0.000 0.213 423 L C 2.215 179.275 176.870 0.316 0.000 1.100 423 L CA 2.271 57.271 54.840 0.266 0.000 0.765 423 L CB -0.674 41.573 42.059 0.313 0.000 0.904 423 L HN 0.579 nan 8.230 nan 0.000 0.437 424 Y N -0.549 119.894 120.300 0.238 0.000 2.231 424 Y HA 0.054 4.604 4.550 0.000 0.000 0.294 424 Y C 2.280 178.219 175.900 0.066 0.000 1.120 424 Y CA 1.222 59.377 58.100 0.092 0.000 1.141 424 Y CB -0.290 38.257 38.460 0.144 0.000 1.022 424 Y HN 0.117 nan 8.280 nan 0.000 0.523 425 A N -0.133 122.730 122.820 0.071 0.000 2.248 425 A HA 0.023 4.344 4.320 0.000 0.000 0.210 425 A C 1.586 179.124 177.584 -0.077 0.000 1.174 425 A CA 1.127 53.115 52.037 -0.082 0.000 0.750 425 A CB -0.861 18.115 19.000 -0.040 0.000 0.780 425 A HN 0.577 nan 8.150 nan 0.000 0.478 426 L N -2.268 118.940 121.223 -0.025 0.000 2.766 426 L HA 0.252 4.592 4.340 0.000 0.000 0.242 426 L C 1.298 178.141 176.870 -0.044 0.000 1.136 426 L CA 0.185 55.013 54.840 -0.020 0.000 0.933 426 L CB 0.197 42.269 42.059 0.023 0.000 1.241 426 L HN 0.314 nan 8.230 nan 0.000 0.522 427 N N -1.802 116.860 118.700 -0.064 0.000 2.266 427 N HA 0.111 4.851 4.740 0.000 0.000 0.217 427 N C 0.260 175.526 175.510 -0.407 0.000 1.211 427 N CA 0.068 53.020 53.050 -0.164 0.000 0.881 427 N CB 0.709 39.152 38.487 -0.072 0.000 1.153 427 N HN 0.127 nan 8.380 nan 0.000 0.489 428 Y N -0.153 119.897 120.300 -0.417 0.000 2.706 428 Y HA 0.303 4.853 4.550 0.000 0.000 0.255 428 Y C 1.326 177.050 175.900 -0.293 0.000 1.163 428 Y CA -0.603 57.248 58.100 -0.415 0.000 1.174 428 Y CB 0.168 38.181 38.460 -0.746 0.000 1.200 428 Y HN 0.016 nan 8.280 nan 0.000 0.544 429 N N 1.782 120.406 118.700 -0.126 0.000 2.064 429 N HA -0.250 4.491 4.740 0.000 0.000 0.200 429 N C 1.508 177.007 175.510 -0.018 0.000 1.028 429 N CA 2.096 55.096 53.050 -0.083 0.000 0.880 429 N CB 0.120 38.564 38.487 -0.072 0.000 1.062 429 N HN 0.391 nan 8.380 nan 0.000 0.454 430 R N -0.810 119.679 120.500 -0.018 0.000 2.254 430 R HA 0.325 4.665 4.340 0.000 0.000 0.193 430 R C 2.259 178.579 176.300 0.032 0.000 0.929 430 R CA 0.053 56.160 56.100 0.011 0.000 1.038 430 R CB 0.219 30.512 30.300 -0.011 0.000 1.009 430 R HN 0.259 nan 8.270 nan 0.000 0.512 431 I N 0.439 121.021 120.570 0.021 0.000 2.567 431 I HA -0.174 3.996 4.170 0.000 0.000 0.257 431 I C 0.982 177.169 176.117 0.118 0.000 1.184 431 I CA 0.618 61.949 61.300 0.051 0.000 1.451 431 I CB -0.396 37.620 38.000 0.027 0.000 1.089 431 I HN 0.178 nan 8.210 nan 0.000 0.441 432 H N 2.680 121.779 119.070 0.049 0.000 2.897 432 H HA 0.071 4.627 4.556 0.000 0.000 0.347 432 H C 0.232 175.600 175.328 0.067 0.000 1.068 432 H CA 0.267 56.363 56.048 0.081 0.000 1.426 432 H CB 0.488 30.282 29.762 0.053 0.000 1.410 432 H HN -0.053 nan 8.280 nan 0.000 0.597 433 K N 4.420 124.487 120.400 -0.556 0.000 2.292 433 K HA 0.165 4.485 4.320 0.000 0.000 0.270 433 K C -0.872 175.460 176.600 -0.446 0.000 1.062 433 K CA -0.779 55.302 56.287 -0.344 0.000 0.916 433 K CB 0.193 32.580 32.500 -0.188 0.000 1.166 433 K HN 0.658 nan 8.250 nan 0.000 0.458 434 N N 5.441 124.070 118.700 -0.118 0.000 2.422 434 N HA 0.244 4.985 4.740 0.000 0.000 0.264 434 N C -2.589 172.933 175.510 0.021 0.000 1.063 434 N CA -1.303 51.778 53.050 0.050 0.000 0.959 434 N CB 1.523 40.107 38.487 0.162 0.000 1.087 434 N HN 0.400 nan 8.380 nan 0.000 0.483 435 P HA 0.342 nan 4.420 nan 0.000 0.293 435 P C -1.525 175.509 177.300 -0.444 0.000 1.427 435 P CA -0.411 62.629 63.100 -0.100 0.000 1.031 435 P CB 0.297 31.931 31.700 -0.110 0.000 1.035 436 Y N 2.961 123.285 120.300 0.041 0.000 2.387 436 Y HA 0.564 5.114 4.550 0.000 0.000 0.336 436 Y C -1.595 174.325 175.900 0.034 0.000 1.067 436 Y CA -2.711 55.407 58.100 0.031 0.000 1.114 436 Y CB 0.163 38.637 38.460 0.023 0.000 1.208 436 Y HN 0.255 nan 8.280 nan 0.000 0.458 437 P HA 0.099 nan 4.420 nan 0.000 0.274 437 P C 0.137 177.495 177.300 0.097 0.000 1.264 437 P CA -0.359 62.804 63.100 0.106 0.000 0.795 437 P CB 0.809 32.558 31.700 0.082 0.000 1.064 438 L N -0.487 120.777 121.223 0.068 0.000 2.656 438 L HA 0.038 4.378 4.340 0.000 0.000 0.149 438 L C 1.062 177.959 176.870 0.045 0.000 1.500 438 L CA 0.747 55.619 54.840 0.054 0.000 2.484 438 L CB -0.417 41.665 42.059 0.040 0.000 2.776 438 L HN 0.308 nan 8.230 nan 0.000 0.674 439 D N -2.729 117.690 120.400 0.033 0.000 3.099 439 D HA 0.385 5.025 4.640 0.000 0.000 0.291 439 D C 0.558 176.870 176.300 0.020 0.000 1.209 439 D CA 0.854 54.869 54.000 0.025 0.000 1.032 439 D CB 1.153 41.965 40.800 0.021 0.000 1.324 439 D HN 0.527 nan 8.370 nan 0.000 0.440 440 A N -0.749 122.081 122.820 0.018 0.000 3.568 440 A HA 0.056 4.376 4.320 0.000 0.000 0.198 440 A C -1.415 176.176 177.584 0.012 0.000 1.298 440 A CA -0.275 51.771 52.037 0.015 0.000 1.177 440 A CB -2.220 16.788 19.000 0.013 0.000 0.820 440 A HN 0.249 nan 8.150 nan 0.000 0.394 441 P HA 0.000 nan 4.420 nan 0.000 0.216 441 P CA 0.000 63.105 63.100 0.008 0.000 0.800 441 P CB 0.000 31.705 31.700 0.008 0.000 0.726