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 2btv_1_J DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.270 176.300 -0.050 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 D N 0.668 121.027 120.400 -0.068 0.000 2.117 2 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 2 D C 1.649 177.857 176.300 -0.152 0.000 0.982 2 D CA 2.566 56.507 54.000 -0.099 0.000 0.828 2 D CB -0.480 40.258 40.800 -0.102 0.000 0.967 2 D HN 0.706 nan 8.370 nan 0.000 0.464 3 T N 0.216 114.668 114.554 -0.170 0.000 2.649 3 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 3 T C 2.263 176.865 174.700 -0.164 0.000 1.036 3 T CA 1.300 63.250 62.100 -0.250 0.000 1.157 3 T CB -0.875 67.943 68.868 -0.083 0.000 0.861 3 T HN 0.186 nan 8.240 nan 0.000 0.445 4 I N 2.286 122.816 120.570 -0.067 0.000 2.151 4 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 4 I C 3.273 179.366 176.117 -0.040 0.000 1.080 4 I CA 1.492 62.778 61.300 -0.023 0.000 1.339 4 I CB -0.808 37.186 38.000 -0.011 0.000 1.039 4 I HN 0.401 nan 8.210 nan 0.000 0.409 5 A N 0.761 123.541 122.820 -0.067 0.000 1.858 5 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 5 A C 2.579 180.113 177.584 -0.084 0.000 1.190 5 A CA 2.056 54.053 52.037 -0.067 0.000 0.617 5 A CB -1.045 17.911 19.000 -0.074 0.000 0.827 5 A HN 0.446 nan 8.150 nan 0.000 0.443 6 A N -0.258 122.466 122.820 -0.160 0.000 1.917 6 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 6 A C 2.275 179.813 177.584 -0.076 0.000 1.182 6 A CA 1.793 53.706 52.037 -0.207 0.000 0.633 6 A CB -0.527 18.150 19.000 -0.538 0.000 0.819 6 A HN 0.584 nan 8.150 nan 0.000 0.448 7 R N -0.793 119.691 120.500 -0.027 0.000 2.070 7 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 7 R C 2.607 178.938 176.300 0.052 0.000 1.138 7 R CA 1.266 57.430 56.100 0.106 0.000 0.936 7 R CB -0.685 29.692 30.300 0.129 0.000 0.839 7 R HN 0.502 nan 8.270 nan 0.000 0.429 8 A N 1.595 124.426 122.820 0.019 0.000 1.903 8 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 8 A C 2.126 179.706 177.584 -0.007 0.000 1.191 8 A CA 1.544 53.583 52.037 0.002 0.000 0.638 8 A CB -0.688 18.308 19.000 -0.007 0.000 0.823 8 A HN 0.246 nan 8.150 nan 0.000 0.451 9 L N -0.275 120.943 121.223 -0.007 0.000 1.955 9 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 9 L C 2.614 179.491 176.870 0.010 0.000 1.072 9 L CA 2.952 57.789 54.840 -0.004 0.000 0.755 9 L CB -1.324 40.730 42.059 -0.008 0.000 0.888 9 L HN 0.451 nan 8.230 nan 0.000 0.432 10 T N -0.783 113.792 114.554 0.035 0.000 2.620 10 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 10 T C 1.935 176.649 174.700 0.024 0.000 1.044 10 T CA 2.120 64.251 62.100 0.051 0.000 1.161 10 T CB -0.793 68.137 68.868 0.103 0.000 0.862 10 T HN 0.241 nan 8.240 nan 0.000 0.438 11 V N 1.585 121.507 119.914 0.013 0.000 2.231 11 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 11 V C 2.530 178.604 176.094 -0.033 0.000 1.054 11 V CA 2.203 64.494 62.300 -0.016 0.000 1.015 11 V CB -0.745 31.058 31.823 -0.033 0.000 0.638 11 V HN 0.484 nan 8.190 nan 0.000 0.444 12 M N -0.542 119.036 119.600 -0.036 0.000 2.065 12 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 12 M C 2.448 178.735 176.300 -0.021 0.000 1.069 12 M CA 1.963 57.239 55.300 -0.040 0.000 1.110 12 M CB -0.628 31.949 32.600 -0.039 0.000 1.328 12 M HN 0.210 nan 8.290 nan 0.000 0.405 13 R N 0.208 120.703 120.500 -0.009 0.000 2.170 13 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 13 R C 2.249 178.546 176.300 -0.005 0.000 1.145 13 R CA 1.419 57.518 56.100 -0.001 0.000 0.984 13 R CB -0.571 29.735 30.300 0.010 0.000 0.869 13 R HN 0.425 nan 8.270 nan 0.000 0.455 14 A N 0.469 123.284 122.820 -0.008 0.000 1.898 14 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 14 A C 2.309 179.880 177.584 -0.021 0.000 1.183 14 A CA 0.853 52.883 52.037 -0.012 0.000 0.622 14 A CB -0.433 18.560 19.000 -0.011 0.000 0.824 14 A HN 0.418 nan 8.150 nan 0.000 0.444 15 C N -0.424 118.859 119.300 -0.029 0.000 2.432 15 C HA 0.120 4.580 4.460 -0.000 0.000 0.280 15 C C 3.067 178.041 174.990 -0.025 0.000 1.353 15 C CA 0.462 59.460 59.018 -0.034 0.000 1.766 15 C CB -1.405 26.309 27.740 -0.045 0.000 1.924 15 C HN 0.675 nan 8.230 nan 0.000 0.509 16 A N 0.763 123.571 122.820 -0.019 0.000 2.178 16 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 16 A C 2.067 179.638 177.584 -0.021 0.000 1.157 16 A CA 2.004 54.030 52.037 -0.018 0.000 0.689 16 A CB -0.731 18.262 19.000 -0.013 0.000 0.787 16 A HN 0.605 nan 8.150 nan 0.000 0.465 17 T N 0.077 114.620 114.554 -0.019 0.000 3.055 17 T HA 0.081 4.431 4.350 -0.000 0.000 0.265 17 T C 0.241 174.927 174.700 -0.023 0.000 1.111 17 T CA 0.254 62.343 62.100 -0.019 0.000 1.118 17 T CB -0.244 68.615 68.868 -0.015 0.000 0.909 17 T HN 0.160 nan 8.240 nan 0.000 0.501 18 L N 2.870 124.077 121.223 -0.027 0.000 2.448 18 L HA 0.323 4.663 4.340 -0.000 0.000 0.278 18 L C 1.221 178.070 176.870 -0.036 0.000 1.201 18 L CA 0.228 55.049 54.840 -0.032 0.000 1.036 18 L CB -0.340 41.697 42.059 -0.036 0.000 1.325 18 L HN 0.035 nan 8.230 nan 0.000 0.441 19 Q N 0.975 120.756 119.800 -0.032 0.000 2.042 19 Q HA 0.131 4.471 4.340 -0.000 0.000 0.194 19 Q C 0.644 176.623 176.000 -0.035 0.000 0.978 19 Q CA 1.226 57.009 55.803 -0.035 0.000 0.828 19 Q CB 0.450 29.171 28.738 -0.028 0.000 0.901 19 Q HN 0.642 nan 8.270 nan 0.000 0.461 20 E N -1.882 118.301 120.200 -0.029 0.000 2.803 20 E HA 0.547 4.897 4.350 -0.000 0.000 0.250 20 E C -0.032 176.551 176.600 -0.027 0.000 1.102 20 E CA 0.076 56.460 56.400 -0.028 0.000 1.017 20 E CB 0.835 30.521 29.700 -0.023 0.000 1.346 20 E HN 0.199 nan 8.360 nan 0.000 0.532 21 A N 0.083 122.889 122.820 -0.024 0.000 2.192 21 A HA 0.014 4.334 4.320 -0.000 0.000 0.208 21 A C 1.822 179.395 177.584 -0.018 0.000 1.220 21 A CA 0.122 52.145 52.037 -0.023 0.000 0.900 21 A CB -0.123 18.863 19.000 -0.023 0.000 0.937 21 A HN 0.551 nan 8.150 nan 0.000 0.487 22 R N 0.675 121.165 120.500 -0.017 0.000 2.073 22 R HA 0.042 4.382 4.340 -0.000 0.000 0.229 22 R C 0.849 177.141 176.300 -0.014 0.000 1.120 22 R CA 0.660 56.752 56.100 -0.014 0.000 0.967 22 R CB -1.416 28.876 30.300 -0.013 0.000 0.862 22 R HN 0.447 nan 8.270 nan 0.000 0.436 23 I N 1.631 122.193 120.570 -0.015 0.000 3.110 23 I HA -0.036 4.134 4.170 -0.000 0.000 0.305 23 I C 0.294 176.403 176.117 -0.013 0.000 1.232 23 I CA -0.997 60.295 61.300 -0.014 0.000 1.431 23 I CB 0.130 38.121 38.000 -0.015 0.000 1.320 23 I HN 0.040 nan 8.210 nan 0.000 0.583 24 V N 4.789 124.696 119.914 -0.012 0.000 2.427 24 V HA 0.554 4.674 4.120 -0.000 0.000 0.286 24 V C 0.095 176.182 176.094 -0.011 0.000 1.034 24 V CA -0.903 61.390 62.300 -0.011 0.000 0.893 24 V CB 1.191 33.008 31.823 -0.010 0.000 0.982 24 V HN 0.728 nan 8.190 nan 0.000 0.452 25 L N 2.652 123.868 121.223 -0.012 0.000 2.466 25 L HA 0.453 4.793 4.340 -0.000 0.000 0.257 25 L C 0.897 177.761 176.870 -0.010 0.000 1.189 25 L CA 0.235 55.068 54.840 -0.012 0.000 0.813 25 L CB 0.620 42.671 42.059 -0.013 0.000 1.118 25 L HN 0.840 nan 8.230 nan 0.000 0.471 26 E N 0.654 120.848 120.200 -0.010 0.000 2.299 26 E HA 0.090 4.440 4.350 -0.000 0.000 0.272 26 E C 0.700 177.294 176.600 -0.010 0.000 1.043 26 E CA 0.112 56.507 56.400 -0.009 0.000 0.895 26 E CB 1.388 31.084 29.700 -0.008 0.000 1.011 26 E HN 0.674 nan 8.360 nan 0.000 0.432 27 A N 5.545 128.359 122.820 -0.010 0.000 1.894 27 A HA -0.338 3.982 4.320 -0.000 0.000 0.220 27 A C 1.950 179.527 177.584 -0.012 0.000 1.237 27 A CA 2.303 54.334 52.037 -0.011 0.000 0.660 27 A CB -0.745 18.248 19.000 -0.011 0.000 0.835 27 A HN 0.910 nan 8.150 nan 0.000 0.461 28 N N -0.064 118.629 118.700 -0.012 0.000 2.069 28 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 28 N C 1.746 177.248 175.510 -0.013 0.000 1.024 28 N CA 2.536 55.577 53.050 -0.014 0.000 0.869 28 N CB -0.326 38.153 38.487 -0.012 0.000 1.035 28 N HN 0.296 nan 8.380 nan 0.000 0.434 29 V N 2.042 121.949 119.914 -0.011 0.000 2.233 29 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 29 V C 2.706 178.793 176.094 -0.012 0.000 1.050 29 V CA 2.191 64.485 62.300 -0.010 0.000 1.010 29 V CB -0.625 31.192 31.823 -0.010 0.000 0.637 29 V HN 0.357 nan 8.190 nan 0.000 0.444 30 M N -0.430 119.162 119.600 -0.013 0.000 2.116 30 M HA -0.324 4.156 4.480 -0.000 0.000 0.255 30 M C 2.236 178.529 176.300 -0.012 0.000 1.075 30 M CA 2.481 57.773 55.300 -0.013 0.000 1.087 30 M CB -0.721 31.872 32.600 -0.012 0.000 1.340 30 M HN 0.480 nan 8.290 nan 0.000 0.402 31 E N 1.122 121.314 120.200 -0.013 0.000 2.033 31 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 31 E C 1.798 178.390 176.600 -0.014 0.000 1.011 31 E CA 1.899 58.290 56.400 -0.015 0.000 0.815 31 E CB -0.154 29.535 29.700 -0.019 0.000 0.755 31 E HN 0.507 nan 8.360 nan 0.000 0.451 32 I N 0.962 121.524 120.570 -0.014 0.000 2.091 32 I HA -0.354 3.816 4.170 -0.000 0.000 0.239 32 I C 2.614 178.726 176.117 -0.007 0.000 1.061 32 I CA 1.197 62.491 61.300 -0.010 0.000 1.317 32 I CB -0.488 37.509 38.000 -0.005 0.000 1.031 32 I HN 0.227 nan 8.210 nan 0.000 0.401 33 L N 0.602 121.817 121.223 -0.012 0.000 1.971 33 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 33 L C 2.803 179.667 176.870 -0.010 0.000 1.072 33 L CA 1.953 56.783 54.840 -0.017 0.000 0.758 33 L CB -1.596 40.450 42.059 -0.022 0.000 0.889 33 L HN 0.409 nan 8.230 nan 0.000 0.433 34 G N 0.486 109.281 108.800 -0.007 0.000 2.574 34 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 34 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 34 G C 1.517 176.420 174.900 0.006 0.000 1.173 34 G CA 1.395 46.494 45.100 -0.001 0.000 0.772 34 G HN 0.345 nan 8.290 nan 0.000 0.585 35 I N 1.399 121.972 120.570 0.004 0.000 2.142 35 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 35 I C 3.344 179.476 176.117 0.025 0.000 1.078 35 I CA 1.096 62.403 61.300 0.010 0.000 1.343 35 I CB -0.519 37.483 38.000 0.003 0.000 1.046 35 I HN 0.273 nan 8.210 nan 0.000 0.405 36 A N 1.616 124.450 122.820 0.023 0.000 1.834 36 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 36 A C 2.317 179.942 177.584 0.068 0.000 1.203 36 A CA 1.949 54.009 52.037 0.038 0.000 0.621 36 A CB -1.150 17.855 19.000 0.008 0.000 0.841 36 A HN 0.388 nan 8.150 nan 0.000 0.446 37 I N 0.029 120.620 120.570 0.034 0.000 2.185 37 I HA -0.359 3.811 4.170 -0.000 0.000 0.246 37 I C 2.416 178.599 176.117 0.110 0.000 1.088 37 I CA 2.005 63.342 61.300 0.061 0.000 1.347 37 I CB -0.715 37.295 38.000 0.017 0.000 1.041 37 I HN 0.632 nan 8.210 nan 0.000 0.415 38 N N 1.149 119.888 118.700 0.065 0.000 2.004 38 N HA -0.201 4.539 4.740 -0.000 0.000 0.196 38 N C 2.032 177.576 175.510 0.056 0.000 1.064 38 N CA 1.465 54.544 53.050 0.049 0.000 0.855 38 N CB -0.052 38.452 38.487 0.027 0.000 1.056 38 N HN -0.004 nan 8.380 nan 0.000 0.423 39 R N -0.587 119.945 120.500 0.053 0.000 2.211 39 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 39 R C 1.896 178.227 176.300 0.051 0.000 1.144 39 R CA 0.949 57.074 56.100 0.041 0.000 0.992 39 R CB -0.998 29.326 30.300 0.040 0.000 0.869 39 R HN 0.550 nan 8.270 nan 0.000 0.462 40 Y N 1.381 121.665 120.300 -0.026 0.000 2.114 40 Y HA -0.118 4.432 4.550 -0.000 0.000 0.284 40 Y C 1.760 177.624 175.900 -0.059 0.000 1.119 40 Y CA 1.726 59.804 58.100 -0.038 0.000 1.108 40 Y CB -0.596 37.850 38.460 -0.024 0.000 0.995 40 Y HN 0.058 nan 8.280 nan 0.000 0.491 41 N N -0.203 118.553 118.700 0.093 0.000 2.258 41 N HA -0.179 4.561 4.740 -0.000 0.000 0.187 41 N C 1.886 177.332 175.510 -0.107 0.000 1.012 41 N CA 0.809 53.848 53.050 -0.018 0.000 0.870 41 N CB -0.444 38.090 38.487 0.079 0.000 0.977 41 N HN 0.571 nan 8.380 nan 0.000 0.434 42 G N 0.572 109.325 108.800 -0.078 0.000 2.408 42 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 42 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 42 G C 1.279 176.103 174.900 -0.125 0.000 1.150 42 G CA 0.482 45.536 45.100 -0.077 0.000 0.776 42 G HN 0.197 nan 8.290 nan 0.000 0.542 43 L N -0.277 120.828 121.223 -0.197 0.000 2.556 43 L HA 0.196 4.536 4.340 -0.000 0.000 0.226 43 L C 2.489 179.110 176.870 -0.416 0.000 1.089 43 L CA 0.498 55.201 54.840 -0.227 0.000 0.864 43 L CB 0.294 42.246 42.059 -0.179 0.000 1.067 43 L HN 0.054 nan 8.230 nan 0.000 0.477 44 T N -0.395 113.807 114.554 -0.588 0.000 3.033 44 T HA 0.148 4.498 4.350 -0.000 0.000 0.248 44 T C 0.682 175.089 174.700 -0.488 0.000 1.040 44 T CA 0.058 61.635 62.100 -0.871 0.000 1.133 44 T CB 0.340 68.524 68.868 -1.139 0.000 0.895 44 T HN 0.036 nan 8.240 nan 0.000 0.465 45 L N 1.188 122.239 121.223 -0.286 0.000 3.754 45 L HA -0.125 4.215 4.340 -0.000 0.000 0.410 45 L C 0.267 177.097 176.870 -0.066 0.000 1.230 45 L CA 0.589 55.351 54.840 -0.129 0.000 0.901 45 L CB -1.621 40.385 42.059 -0.087 0.000 1.982 45 L HN 0.210 nan 8.230 nan 0.000 0.822 46 R N -0.604 119.867 120.500 -0.049 0.000 2.758 46 R HA 0.758 5.098 4.340 -0.000 0.000 0.265 46 R C 0.940 177.288 176.300 0.080 0.000 1.016 46 R CA -0.103 56.032 56.100 0.058 0.000 1.040 46 R CB 1.277 31.672 30.300 0.159 0.000 1.152 46 R HN 0.162 nan 8.270 nan 0.000 0.503 47 G N 1.062 109.914 108.800 0.087 0.000 4.126 47 G HA2 0.304 4.264 3.960 -0.000 0.000 0.282 47 G HA3 0.304 4.264 3.960 -0.000 0.000 0.282 47 G C -0.186 174.753 174.900 0.065 0.000 1.221 47 G CA -0.271 44.868 45.100 0.065 0.000 1.527 47 G HN 0.190 nan 8.290 nan 0.000 0.612 48 V N 1.190 121.157 119.914 0.087 0.000 2.649 48 V HA 0.425 4.545 4.120 -0.000 0.000 0.292 48 V C 0.630 176.738 176.094 0.024 0.000 1.055 48 V CA -0.130 62.199 62.300 0.049 0.000 1.023 48 V CB 1.301 33.149 31.823 0.042 0.000 0.992 48 V HN 0.447 nan 8.190 nan 0.000 0.480 49 T N 4.368 118.922 114.554 -0.000 0.000 2.940 49 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 49 T C 0.838 175.528 174.700 -0.016 0.000 1.033 49 T CA -0.574 61.523 62.100 -0.005 0.000 1.033 49 T CB 1.855 70.718 68.868 -0.009 0.000 1.079 49 T HN 0.661 nan 8.240 nan 0.000 0.496 50 M N 0.200 119.792 119.600 -0.014 0.000 2.288 50 M HA 0.176 4.656 4.480 -0.000 0.000 0.266 50 M C 0.828 177.114 176.300 -0.023 0.000 1.072 50 M CA 1.417 56.705 55.300 -0.019 0.000 1.132 50 M CB 0.212 32.803 32.600 -0.014 0.000 1.386 50 M HN 0.321 nan 8.290 nan 0.000 0.432 51 R N 1.251 121.739 120.500 -0.021 0.000 2.363 51 R HA 0.397 4.737 4.340 -0.000 0.000 0.297 51 R C -2.741 173.543 176.300 -0.026 0.000 1.208 51 R CA -1.956 54.130 56.100 -0.023 0.000 1.121 51 R CB 0.654 30.942 30.300 -0.019 0.000 1.124 51 R HN 0.055 nan 8.270 nan 0.000 0.561 52 P HA 0.318 nan 4.420 nan 0.000 0.276 52 P C -0.224 177.054 177.300 -0.038 0.000 1.244 52 P CA -0.265 62.812 63.100 -0.038 0.000 0.801 52 P CB 1.667 33.336 31.700 -0.051 0.000 1.006 53 T N -4.093 110.439 114.554 -0.037 0.000 3.608 53 T HA -0.022 4.328 4.350 -0.000 0.000 0.293 53 T C 1.704 176.382 174.700 -0.037 0.000 0.933 53 T CA 0.583 62.662 62.100 -0.035 0.000 1.081 53 T CB -1.058 67.794 68.868 -0.026 0.000 1.166 53 T HN 0.343 nan 8.240 nan 0.000 0.500 54 S N 2.489 118.170 115.700 -0.031 0.000 2.414 54 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 54 S C 1.528 176.105 174.600 -0.037 0.000 1.041 54 S CA 2.099 60.282 58.200 -0.028 0.000 1.114 54 S CB -0.578 62.611 63.200 -0.020 0.000 1.064 54 S HN 1.190 nan 8.310 nan 0.000 0.420 55 L N -1.875 119.319 121.223 -0.049 0.000 1.229 55 L HA 0.217 4.557 4.340 -0.000 0.000 0.063 55 L C 1.627 178.451 176.870 -0.077 0.000 1.500 55 L CA 1.153 55.955 54.840 -0.064 0.000 1.141 55 L CB -1.214 40.819 42.059 -0.043 0.000 2.299 55 L HN 0.288 nan 8.230 nan 0.000 0.443 56 A N 0.365 123.158 122.820 -0.045 0.000 1.986 56 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 56 A C 1.891 179.436 177.584 -0.065 0.000 1.171 56 A CA 2.299 54.313 52.037 -0.038 0.000 0.640 56 A CB -0.658 18.344 19.000 0.004 0.000 0.811 56 A HN 0.762 nan 8.150 nan 0.000 0.451 57 Q N -0.845 118.921 119.800 -0.057 0.000 2.083 57 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 57 Q C 2.362 178.304 176.000 -0.096 0.000 0.969 57 Q CA 1.276 57.046 55.803 -0.055 0.000 0.838 57 Q CB -0.174 28.540 28.738 -0.039 0.000 0.900 57 Q HN 0.660 nan 8.270 nan 0.000 0.436 58 R N 0.618 121.050 120.500 -0.114 0.000 2.081 58 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 58 R C 1.917 178.085 176.300 -0.219 0.000 1.131 58 R CA 1.191 57.208 56.100 -0.139 0.000 0.960 58 R CB -0.348 29.869 30.300 -0.137 0.000 0.856 58 R HN 0.271 nan 8.270 nan 0.000 0.436 59 N N 1.064 119.569 118.700 -0.325 0.000 2.058 59 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 59 N C 1.715 176.648 175.510 -0.960 0.000 1.037 59 N CA 1.247 53.871 53.050 -0.709 0.000 0.848 59 N CB -0.336 37.751 38.487 -0.668 0.000 1.021 59 N HN 0.188 nan 8.380 nan 0.000 0.422 60 E N 0.946 120.871 120.200 -0.459 0.000 2.086 60 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 60 E C 1.997 178.546 176.600 -0.085 0.000 1.012 60 E CA 1.203 57.526 56.400 -0.129 0.000 0.812 60 E CB -0.245 29.458 29.700 0.005 0.000 0.743 60 E HN 0.347 nan 8.360 nan 0.000 0.453 61 M N -0.981 118.542 119.600 -0.128 0.000 2.117 61 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 61 M C 1.949 178.178 176.300 -0.118 0.000 1.065 61 M CA 1.547 56.776 55.300 -0.118 0.000 1.114 61 M CB -0.208 32.334 32.600 -0.096 0.000 1.361 61 M HN 0.250 nan 8.290 nan 0.000 0.408 62 F N 0.905 120.696 119.950 -0.266 0.000 2.126 62 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 62 F C 1.507 177.263 175.800 -0.074 0.000 1.096 62 F CA 1.673 59.549 58.000 -0.207 0.000 1.255 62 F CB -0.477 38.352 39.000 -0.285 0.000 0.997 62 F HN 0.133 nan 8.300 nan 0.000 0.479 63 F N 0.155 120.022 119.950 -0.140 0.000 2.161 63 F HA -0.249 4.278 4.527 -0.000 0.000 0.300 63 F C 2.555 178.309 175.800 -0.077 0.000 1.089 63 F CA 1.437 59.355 58.000 -0.138 0.000 1.282 63 F CB -1.448 37.642 39.000 0.149 0.000 1.010 63 F HN 0.137 nan 8.300 nan 0.000 0.485 64 M N -0.450 119.172 119.600 0.036 0.000 2.059 64 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 64 M C 2.355 178.513 176.300 -0.237 0.000 1.072 64 M CA 2.214 57.358 55.300 -0.260 0.000 1.117 64 M CB -0.651 31.518 32.600 -0.719 0.000 1.320 64 M HN 0.163 nan 8.290 nan 0.000 0.408 65 C N 0.621 119.751 119.300 -0.284 0.000 2.403 65 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 65 C C 2.607 177.439 174.990 -0.263 0.000 1.248 65 C CA 0.830 59.690 59.018 -0.264 0.000 1.762 65 C CB -1.632 25.933 27.740 -0.293 0.000 2.014 65 C HN 0.734 nan 8.230 nan 0.000 0.486 66 L N 1.536 122.524 121.223 -0.391 0.000 1.976 66 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 66 L C 2.203 179.019 176.870 -0.089 0.000 1.071 66 L CA 2.101 56.734 54.840 -0.344 0.000 0.746 66 L CB -1.135 40.593 42.059 -0.552 0.000 0.890 66 L HN 0.256 nan 8.230 nan 0.000 0.432 67 D N -0.659 119.780 120.400 0.065 0.000 2.133 67 D HA -0.268 4.372 4.640 -0.000 0.000 0.192 67 D C 2.196 178.567 176.300 0.117 0.000 1.001 67 D CA 2.214 56.337 54.000 0.204 0.000 0.844 67 D CB -0.122 40.883 40.800 0.342 0.000 0.944 67 D HN 0.421 nan 8.370 nan 0.000 0.447 68 M N -0.291 119.349 119.600 0.066 0.000 2.067 68 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 68 M C 2.342 178.647 176.300 0.008 0.000 1.069 68 M CA 1.067 56.390 55.300 0.039 0.000 1.117 68 M CB -0.329 32.268 32.600 -0.005 0.000 1.334 68 M HN 0.040 nan 8.290 nan 0.000 0.407 69 M N 1.176 120.760 119.600 -0.026 0.000 2.082 69 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 69 M C 1.952 178.246 176.300 -0.011 0.000 1.069 69 M CA 2.039 57.322 55.300 -0.029 0.000 1.102 69 M CB -0.705 31.864 32.600 -0.051 0.000 1.336 69 M HN 0.302 nan 8.290 nan 0.000 0.404 70 L N -0.804 120.421 121.223 0.003 0.000 2.027 70 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 70 L C 2.464 179.347 176.870 0.023 0.000 1.074 70 L CA 1.321 56.171 54.840 0.018 0.000 0.745 70 L CB -1.048 41.040 42.059 0.048 0.000 0.898 70 L HN 0.257 nan 8.230 nan 0.000 0.433 71 S N 0.188 115.910 115.700 0.037 0.000 2.370 71 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 71 S C 2.183 176.793 174.600 0.017 0.000 1.033 71 S CA 1.348 59.570 58.200 0.035 0.000 1.011 71 S CB -0.338 62.896 63.200 0.055 0.000 0.852 71 S HN 0.499 nan 8.310 nan 0.000 0.457 72 A N 0.915 123.740 122.820 0.008 0.000 2.015 72 A HA 0.241 4.561 4.320 -0.000 0.000 0.219 72 A C 2.154 179.729 177.584 -0.015 0.000 1.163 72 A CA 1.482 53.514 52.037 -0.007 0.000 0.646 72 A CB -0.623 18.369 19.000 -0.014 0.000 0.806 72 A HN 0.511 nan 8.150 nan 0.000 0.448 73 A N -1.693 121.119 122.820 -0.013 0.000 2.178 73 A HA 0.430 4.750 4.320 -0.000 0.000 0.211 73 A C 1.629 179.205 177.584 -0.012 0.000 1.157 73 A CA 1.085 53.111 52.037 -0.018 0.000 0.780 73 A CB -0.754 18.234 19.000 -0.020 0.000 0.828 73 A HN 1.890 nan 8.150 nan 0.000 0.476 74 G N -0.391 108.406 108.800 -0.004 0.000 2.289 74 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.280 74 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.280 74 G C -0.235 174.665 174.900 -0.000 0.000 1.089 74 G CA 0.351 45.450 45.100 -0.002 0.000 0.939 74 G HN 0.474 nan 8.290 nan 0.000 0.499 75 I N 0.201 120.773 120.570 0.005 0.000 2.465 75 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 75 I C 0.117 176.243 176.117 0.016 0.000 1.014 75 I CA -0.773 60.530 61.300 0.006 0.000 1.093 75 I CB 2.102 40.103 38.000 0.001 0.000 1.267 75 I HN 0.250 nan 8.210 nan 0.000 0.431 76 N N 5.726 124.433 118.700 0.012 0.000 2.707 76 N HA 0.192 4.932 4.740 -0.000 0.000 0.235 76 N C 0.960 176.482 175.510 0.019 0.000 1.028 76 N CA -0.358 52.700 53.050 0.014 0.000 0.906 76 N CB 1.349 39.837 38.487 0.002 0.000 1.131 76 N HN 0.574 nan 8.380 nan 0.000 0.509 77 V N 1.645 121.581 119.914 0.037 0.000 2.490 77 V HA 0.194 4.314 4.120 -0.000 0.000 0.250 77 V C 1.212 177.331 176.094 0.041 0.000 1.061 77 V CA 1.249 63.574 62.300 0.042 0.000 1.064 77 V CB -1.544 30.322 31.823 0.072 0.000 0.670 77 V HN 0.771 nan 8.190 nan 0.000 0.461 78 G N 0.901 109.721 108.800 0.034 0.000 2.698 78 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.225 78 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.225 78 G C -2.355 172.572 174.900 0.045 0.000 1.345 78 G CA -0.301 44.813 45.100 0.024 0.000 0.871 78 G HN 0.672 nan 8.290 nan 0.000 0.540 79 P HA 0.245 nan 4.420 nan 0.000 0.266 79 P C 1.035 178.452 177.300 0.196 0.000 1.419 79 P CA 0.462 63.622 63.100 0.100 0.000 1.112 79 P CB -0.622 31.127 31.700 0.083 0.000 1.438 80 I N -0.243 120.417 120.570 0.151 0.000 4.139 80 I HA 0.325 4.495 4.170 -0.000 0.000 0.335 80 I C 0.284 176.342 176.117 -0.099 0.000 1.327 80 I CA -0.257 61.117 61.300 0.124 0.000 1.112 80 I CB 0.509 38.569 38.000 0.101 0.000 1.058 80 I HN 0.137 nan 8.210 nan 0.000 0.396 81 S N 1.285 116.890 115.700 -0.159 0.000 2.537 81 S HA 0.512 4.982 4.470 -0.000 0.000 0.271 81 S C -2.351 172.155 174.600 -0.156 0.000 1.148 81 S CA -0.796 57.218 58.200 -0.311 0.000 0.868 81 S CB 1.895 65.138 63.200 0.072 0.000 1.115 81 S HN 0.000 nan 8.310 nan 0.000 0.461 82 P HA 0.154 nan 4.420 nan 0.000 0.230 82 P C 0.167 177.494 177.300 0.046 0.000 1.168 82 P CA 0.624 63.762 63.100 0.063 0.000 0.793 82 P CB 0.219 31.998 31.700 0.133 0.000 0.851 83 D N -1.125 119.315 120.400 0.067 0.000 2.201 83 D HA -0.043 4.597 4.640 -0.000 0.000 0.209 83 D C 0.484 176.719 176.300 -0.107 0.000 0.961 83 D CA 0.764 54.818 54.000 0.088 0.000 0.861 83 D CB -0.315 40.647 40.800 0.270 0.000 0.997 83 D HN 0.230 nan 8.370 nan 0.000 0.486 84 Y N 1.317 121.387 120.300 -0.382 0.000 2.341 84 Y HA 0.374 4.924 4.550 -0.000 0.000 0.337 84 Y C -0.899 174.800 175.900 -0.335 0.000 1.014 84 Y CA -0.327 57.351 58.100 -0.704 0.000 1.111 84 Y CB 1.575 39.411 38.460 -1.040 0.000 1.194 84 Y HN -0.358 nan 8.280 nan 0.000 0.462 85 T N 6.654 120.600 114.554 -1.014 0.000 2.840 85 T HA 0.164 4.514 4.350 -0.000 0.000 0.287 85 T C -0.973 173.067 174.700 -1.099 0.000 0.991 85 T CA -0.746 60.894 62.100 -0.767 0.000 0.964 85 T CB 1.205 69.845 68.868 -0.381 0.000 0.954 85 T HN 0.710 nan 8.240 nan 0.000 0.438 86 Q N 2.946 122.203 119.800 -0.905 0.000 2.271 86 Q HA 0.009 4.349 4.340 -0.000 0.000 0.273 86 Q C -0.538 175.312 176.000 -0.251 0.000 1.051 86 Q CA -0.069 55.436 55.803 -0.497 0.000 0.901 86 Q CB 0.359 29.045 28.738 -0.088 0.000 1.174 86 Q HN 0.599 nan 8.270 nan 0.000 0.385 87 H N 6.547 125.513 119.070 -0.174 0.000 2.705 87 H HA 0.066 4.622 4.556 -0.000 0.000 0.291 87 H C 0.723 176.017 175.328 -0.057 0.000 1.085 87 H CA -0.319 55.659 56.048 -0.116 0.000 1.357 87 H CB 0.981 30.669 29.762 -0.123 0.000 1.419 87 H HN 0.806 nan 8.280 nan 0.000 0.462 88 M N 3.507 123.094 119.600 -0.022 0.000 2.108 88 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 88 M C 2.363 178.723 176.300 0.099 0.000 1.066 88 M CA 1.373 56.690 55.300 0.028 0.000 1.107 88 M CB -1.434 31.144 32.600 -0.037 0.000 1.356 88 M HN 0.701 nan 8.290 nan 0.000 0.406 89 A N -0.071 122.867 122.820 0.197 0.000 2.093 89 A HA -0.185 4.135 4.320 -0.000 0.000 0.222 89 A C 2.220 179.834 177.584 0.049 0.000 1.162 89 A CA 2.179 54.284 52.037 0.114 0.000 0.655 89 A CB -1.292 17.772 19.000 0.108 0.000 0.805 89 A HN 0.552 nan 8.150 nan 0.000 0.461 90 T N 0.018 114.616 114.554 0.074 0.000 2.802 90 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 90 T C 1.701 176.453 174.700 0.087 0.000 1.062 90 T CA 1.596 63.753 62.100 0.095 0.000 1.133 90 T CB -0.423 68.557 68.868 0.186 0.000 0.852 90 T HN 0.544 nan 8.240 nan 0.000 0.485 91 I N 1.670 122.279 120.570 0.065 0.000 2.179 91 I HA -0.003 4.167 4.170 -0.000 0.000 0.242 91 I C 2.527 178.667 176.117 0.039 0.000 1.088 91 I CA 1.561 62.889 61.300 0.047 0.000 1.357 91 I CB -0.987 37.033 38.000 0.034 0.000 1.051 91 I HN 0.218 nan 8.210 nan 0.000 0.409 92 G N -0.224 108.594 108.800 0.031 0.000 2.432 92 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 92 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 92 G C 1.651 176.567 174.900 0.027 0.000 1.135 92 G CA 1.109 46.222 45.100 0.022 0.000 0.767 92 G HN 0.386 nan 8.290 nan 0.000 0.550 93 V N 0.975 120.909 119.914 0.034 0.000 2.295 93 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 93 V C 2.738 178.872 176.094 0.067 0.000 1.049 93 V CA 1.097 63.428 62.300 0.052 0.000 1.024 93 V CB -0.436 31.443 31.823 0.095 0.000 0.648 93 V HN 0.218 nan 8.190 nan 0.000 0.447 94 L N 0.348 121.613 121.223 0.070 0.000 2.275 94 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 94 L C 2.436 179.340 176.870 0.057 0.000 1.119 94 L CA 1.890 56.769 54.840 0.064 0.000 0.790 94 L CB -1.719 40.372 42.059 0.053 0.000 0.919 94 L HN 0.359 nan 8.230 nan 0.000 0.443 95 A N -1.751 121.097 122.820 0.046 0.000 2.167 95 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 95 A C 1.177 178.788 177.584 0.045 0.000 1.151 95 A CA 0.329 52.390 52.037 0.040 0.000 0.735 95 A CB -0.654 18.363 19.000 0.029 0.000 0.802 95 A HN 0.329 nan 8.150 nan 0.000 0.467 96 T N 3.048 117.629 114.554 0.046 0.000 2.761 96 T HA 0.196 4.546 4.350 -0.000 0.000 0.287 96 T C -1.316 173.414 174.700 0.051 0.000 0.931 96 T CA -0.544 61.580 62.100 0.040 0.000 1.164 96 T CB 0.937 69.827 68.868 0.036 0.000 0.876 96 T HN 0.317 nan 8.240 nan 0.000 0.534 97 P HA -0.109 nan 4.420 nan 0.000 0.219 97 P C 0.979 178.294 177.300 0.024 0.000 1.146 97 P CA 0.974 64.103 63.100 0.048 0.000 0.808 97 P CB 0.416 32.137 31.700 0.036 0.000 0.779 98 E N -0.029 120.180 120.200 0.015 0.000 2.265 98 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 98 E C 0.968 177.566 176.600 -0.003 0.000 0.996 98 E CA 0.390 56.790 56.400 -0.000 0.000 0.832 98 E CB -0.706 28.996 29.700 0.004 0.000 0.756 98 E HN 0.398 nan 8.360 nan 0.000 0.491 99 I N 3.191 123.773 120.570 0.021 0.000 2.396 99 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 99 I C -1.864 174.263 176.117 0.018 0.000 1.056 99 I CA -1.969 59.349 61.300 0.030 0.000 1.365 99 I CB 0.729 38.766 38.000 0.062 0.000 1.407 99 I HN -0.051 nan 8.210 nan 0.000 0.509 100 P HA 0.368 nan 4.420 nan 0.000 0.279 100 P C -1.143 176.147 177.300 -0.018 0.000 1.282 100 P CA -0.113 62.895 63.100 -0.153 0.000 0.788 100 P CB 0.923 32.542 31.700 -0.135 0.000 1.139 101 F N -3.857 116.094 119.950 0.000 0.000 2.654 101 F HA 0.413 4.940 4.527 -0.000 0.000 0.314 101 F C -0.314 175.487 175.800 0.001 0.000 1.116 101 F CA -1.136 56.864 58.000 0.001 0.000 1.017 101 F CB -0.235 38.766 39.000 0.002 0.000 1.285 101 F HN 0.294 nan 8.300 nan 0.000 0.448 102 T N -1.062 113.640 114.554 0.247 0.000 2.855 102 T HA 0.197 4.547 4.350 -0.000 0.000 0.314 102 T C 0.918 175.753 174.700 0.225 0.000 1.077 102 T CA 0.327 62.522 62.100 0.159 0.000 1.095 102 T CB 0.866 69.792 68.868 0.096 0.000 0.987 102 T HN 0.773 nan 8.240 nan 0.000 0.546 103 T N 1.305 115.938 114.554 0.133 0.000 2.746 103 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 103 T C 1.833 176.594 174.700 0.101 0.000 1.039 103 T CA 1.596 63.770 62.100 0.124 0.000 1.142 103 T CB -0.379 68.529 68.868 0.067 0.000 0.866 103 T HN 0.724 nan 8.240 nan 0.000 0.444 104 E N 1.749 121.995 120.200 0.077 0.000 2.038 104 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 104 E C 2.462 179.098 176.600 0.060 0.000 1.000 104 E CA 1.344 57.778 56.400 0.056 0.000 0.803 104 E CB -0.723 29.006 29.700 0.047 0.000 0.750 104 E HN 0.495 nan 8.360 nan 0.000 0.448 105 A N 0.950 123.815 122.820 0.074 0.000 1.940 105 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 105 A C 2.357 179.935 177.584 -0.010 0.000 1.176 105 A CA 2.143 54.207 52.037 0.045 0.000 0.631 105 A CB -0.945 18.095 19.000 0.066 0.000 0.814 105 A HN 0.289 nan 8.150 nan 0.000 0.446 106 A N 0.317 123.146 122.820 0.015 0.000 1.845 106 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 106 A C 1.982 179.549 177.584 -0.027 0.000 1.195 106 A CA 1.616 53.612 52.037 -0.068 0.000 0.616 106 A CB -0.823 18.234 19.000 0.095 0.000 0.832 106 A HN 0.666 nan 8.150 nan 0.000 0.443 107 N N -0.570 118.142 118.700 0.020 0.000 2.149 107 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 107 N C 1.780 177.306 175.510 0.027 0.000 1.019 107 N CA 1.535 54.595 53.050 0.017 0.000 0.857 107 N CB -0.196 38.301 38.487 0.017 0.000 0.997 107 N HN 0.645 nan 8.380 nan 0.000 0.426 108 E N 0.772 121.001 120.200 0.048 0.000 2.023 108 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 108 E C 2.108 178.785 176.600 0.129 0.000 1.003 108 E CA 0.898 57.371 56.400 0.123 0.000 0.809 108 E CB 0.070 29.846 29.700 0.126 0.000 0.755 108 E HN 0.225 nan 8.360 nan 0.000 0.449 109 I N 0.970 121.557 120.570 0.029 0.000 2.163 109 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 109 I C 2.519 178.635 176.117 -0.001 0.000 1.085 109 I CA 1.334 62.626 61.300 -0.013 0.000 1.347 109 I CB -1.577 36.370 38.000 -0.088 0.000 1.044 109 I HN 0.080 nan 8.210 nan 0.000 0.408 110 A N 0.683 123.495 122.820 -0.013 0.000 1.986 110 A HA -0.270 4.051 4.320 -0.000 0.000 0.220 110 A C 2.424 180.015 177.584 0.012 0.000 1.171 110 A CA 2.119 54.149 52.037 -0.011 0.000 0.640 110 A CB -0.568 18.424 19.000 -0.013 0.000 0.811 110 A HN 0.336 nan 8.150 nan 0.000 0.451 111 R N -0.163 120.365 120.500 0.046 0.000 2.057 111 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 111 R C 1.877 178.249 176.300 0.119 0.000 1.136 111 R CA 1.940 58.077 56.100 0.063 0.000 0.952 111 R CB -1.224 29.102 30.300 0.044 0.000 0.848 111 R HN 0.221 nan 8.270 nan 0.000 0.430 112 V N 0.475 120.496 119.914 0.178 0.000 2.219 112 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 112 V C 2.122 178.223 176.094 0.012 0.000 1.053 112 V CA 2.644 65.001 62.300 0.096 0.000 1.009 112 V CB -0.982 30.832 31.823 -0.014 0.000 0.636 112 V HN 0.496 nan 8.190 nan 0.000 0.445 113 T N 0.065 114.611 114.554 -0.014 0.000 2.759 113 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 113 T C 1.847 176.518 174.700 -0.048 0.000 1.042 113 T CA 1.469 63.544 62.100 -0.042 0.000 1.140 113 T CB -0.805 68.036 68.868 -0.044 0.000 0.864 113 T HN 0.665 nan 8.240 nan 0.000 0.455 114 G N 2.230 111.014 108.800 -0.027 0.000 2.545 114 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 114 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 114 G C 1.449 176.314 174.900 -0.057 0.000 1.218 114 G CA 1.569 46.648 45.100 -0.034 0.000 0.787 114 G HN 0.710 nan 8.290 nan 0.000 0.571 115 E N -0.657 119.518 120.200 -0.042 0.000 2.046 115 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 115 E C 2.308 178.825 176.600 -0.137 0.000 0.982 115 E CA 1.582 57.941 56.400 -0.067 0.000 0.800 115 E CB -1.136 28.553 29.700 -0.018 0.000 0.756 115 E HN 0.216 nan 8.360 nan 0.000 0.449 116 T N 0.557 115.044 114.554 -0.112 0.000 2.680 116 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 116 T C 1.950 176.491 174.700 -0.265 0.000 1.033 116 T CA 2.278 64.285 62.100 -0.155 0.000 1.152 116 T CB -0.601 68.206 68.868 -0.103 0.000 0.859 116 T HN 0.507 nan 8.240 nan 0.000 0.452 117 S N -0.817 114.737 115.700 -0.244 0.000 2.522 117 S HA 0.102 4.572 4.470 -0.000 0.000 0.227 117 S C 1.024 175.324 174.600 -0.500 0.000 0.986 117 S CA 0.444 58.463 58.200 -0.301 0.000 0.929 117 S CB 0.015 63.111 63.200 -0.174 0.000 0.769 117 S HN 0.436 nan 8.310 nan 0.000 0.529 118 T N -0.236 114.007 114.554 -0.519 0.000 2.742 118 T HA 0.557 4.907 4.350 -0.000 0.000 0.282 118 T C -1.606 172.694 174.700 -0.666 0.000 1.025 118 T CA -0.940 60.806 62.100 -0.591 0.000 1.020 118 T CB 0.892 69.669 68.868 -0.152 0.000 1.317 118 T HN 0.421 nan 8.240 nan 0.000 0.538 119 W N -0.463 120.835 121.300 -0.004 0.000 2.869 119 W HA 0.693 5.353 4.660 -0.000 0.000 0.345 119 W C 0.172 176.686 176.519 -0.008 0.000 1.191 119 W CA -0.890 56.450 57.345 -0.008 0.000 1.104 119 W CB 1.325 30.778 29.460 -0.012 0.000 1.471 119 W HN 1.022 nan 8.180 nan 0.000 0.612 120 G N 1.000 109.947 108.800 0.245 0.000 2.556 120 G HA2 0.340 4.300 3.960 -0.000 0.000 0.294 120 G HA3 0.340 4.300 3.960 -0.000 0.000 0.294 120 G C -3.114 171.838 174.900 0.087 0.000 1.516 120 G CA -0.941 44.235 45.100 0.127 0.000 0.824 120 G HN 0.026 nan 8.290 nan 0.000 0.535 121 P HA 0.459 nan 4.420 nan 0.000 0.267 121 P C -0.356 176.955 177.300 0.018 0.000 1.209 121 P CA 0.195 63.319 63.100 0.039 0.000 0.763 121 P CB 1.478 33.209 31.700 0.051 0.000 0.816 122 A N 4.064 126.878 122.820 -0.009 0.000 2.422 122 A HA 0.444 4.764 4.320 -0.000 0.000 0.302 122 A C -0.060 177.470 177.584 -0.089 0.000 1.041 122 A CA -0.971 51.040 52.037 -0.044 0.000 0.708 122 A CB 1.300 20.273 19.000 -0.045 0.000 1.257 122 A HN 0.438 nan 8.150 nan 0.000 0.414 123 R N 1.949 122.389 120.500 -0.101 0.000 2.446 123 R HA 0.078 4.418 4.340 -0.000 0.000 0.325 123 R C -0.208 175.975 176.300 -0.194 0.000 0.997 123 R CA -0.017 56.005 56.100 -0.130 0.000 1.010 123 R CB 0.234 30.402 30.300 -0.220 0.000 0.946 123 R HN 0.672 nan 8.270 nan 0.000 0.422 124 Q N 4.534 124.138 119.800 -0.327 0.000 2.392 124 Q HA 0.022 4.362 4.340 -0.000 0.000 0.262 124 Q C -1.224 174.633 176.000 -0.238 0.000 1.003 124 Q CA -1.354 54.202 55.803 -0.413 0.000 0.888 124 Q CB 0.525 28.702 28.738 -0.936 0.000 1.260 124 Q HN 0.494 nan 8.270 nan 0.000 0.435 125 P HA -0.151 nan 4.420 nan 0.000 0.214 125 P C -0.198 176.895 177.300 -0.344 0.000 1.162 125 P CA 1.604 64.427 63.100 -0.461 0.000 0.879 125 P CB 0.178 31.340 31.700 -0.896 0.000 0.786 126 Y N -0.249 120.147 120.300 0.160 0.000 2.545 126 Y HA 0.581 5.131 4.550 -0.000 0.000 0.324 126 Y C 1.662 177.718 175.900 0.259 0.000 1.220 126 Y CA -1.288 56.922 58.100 0.183 0.000 1.290 126 Y CB -0.548 38.007 38.460 0.158 0.000 1.355 126 Y HN -0.112 nan 8.280 nan 0.000 0.516 127 G N -0.043 108.994 108.800 0.394 0.000 2.559 127 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.235 127 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.235 127 G C 0.395 175.429 174.900 0.222 0.000 1.266 127 G CA -0.186 45.100 45.100 0.311 0.000 0.847 127 G HN 0.658 nan 8.290 nan 0.000 0.583 128 F N 1.598 121.487 119.950 -0.102 0.000 2.025 128 F HA -0.030 4.497 4.527 -0.000 0.000 0.297 128 F C 1.707 177.253 175.800 -0.423 0.000 1.132 128 F CA 1.160 58.826 58.000 -0.557 0.000 1.191 128 F CB -0.267 38.235 39.000 -0.829 0.000 0.963 128 F HN 0.337 nan 8.300 nan 0.000 0.481 129 F N 0.667 120.825 119.950 0.347 0.000 2.833 129 F HA 0.165 4.692 4.527 -0.000 0.000 0.327 129 F C 1.223 177.102 175.800 0.130 0.000 1.184 129 F CA -0.186 57.941 58.000 0.210 0.000 1.328 129 F CB -0.605 38.452 39.000 0.095 0.000 1.440 129 F HN -0.009 nan 8.300 nan 0.000 0.569 130 L N 0.252 121.609 121.223 0.224 0.000 2.162 130 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 130 L C 1.573 178.521 176.870 0.131 0.000 1.086 130 L CA 1.581 56.523 54.840 0.169 0.000 0.778 130 L CB -0.168 41.986 42.059 0.158 0.000 0.928 130 L HN 0.163 nan 8.230 nan 0.000 0.446 131 E N 0.470 120.748 120.200 0.130 0.000 2.351 131 E HA 0.064 4.414 4.350 -0.000 0.000 0.236 131 E C -0.218 176.447 176.600 0.109 0.000 1.341 131 E CA 0.037 56.498 56.400 0.103 0.000 1.579 131 E CB -0.435 29.317 29.700 0.087 0.000 1.393 131 E HN 0.468 nan 8.360 nan 0.000 0.438 132 T N -2.795 111.833 114.554 0.122 0.000 2.875 132 T HA 0.252 4.602 4.350 -0.000 0.000 0.284 132 T C 0.844 175.579 174.700 0.058 0.000 0.995 132 T CA -0.778 61.386 62.100 0.106 0.000 1.060 132 T CB 2.075 71.019 68.868 0.126 0.000 0.967 132 T HN 0.024 nan 8.240 nan 0.000 0.476 133 E N 1.242 121.465 120.200 0.039 0.000 2.140 133 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 133 E C 0.051 176.643 176.600 -0.014 0.000 0.973 133 E CA 0.593 57.001 56.400 0.013 0.000 0.829 133 E CB 0.322 30.028 29.700 0.011 0.000 0.781 133 E HN 0.752 nan 8.360 nan 0.000 0.466 134 E N 0.785 120.978 120.200 -0.013 0.000 2.176 134 E HA 0.314 4.664 4.350 -0.000 0.000 0.267 134 E C -0.843 175.737 176.600 -0.033 0.000 0.893 134 E CA -0.298 56.064 56.400 -0.062 0.000 0.761 134 E CB 2.291 31.957 29.700 -0.056 0.000 1.133 134 E HN -0.175 nan 8.360 nan 0.000 0.409 135 T N 2.195 116.681 114.554 -0.113 0.000 2.893 135 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 135 T C -1.399 173.196 174.700 -0.174 0.000 1.028 135 T CA -0.569 61.513 62.100 -0.031 0.000 0.995 135 T CB 0.486 69.338 68.868 -0.027 0.000 1.051 135 T HN 0.247 nan 8.240 nan 0.000 0.470 136 F N 1.929 121.775 119.950 -0.173 0.000 2.507 136 F HA 0.502 5.029 4.527 -0.000 0.000 0.327 136 F C 0.701 176.438 175.800 -0.105 0.000 1.068 136 F CA -0.960 56.935 58.000 -0.175 0.000 0.965 136 F CB 1.534 40.371 39.000 -0.271 0.000 1.192 136 F HN 0.493 nan 8.300 nan 0.000 0.476 137 Q N 4.683 124.530 119.800 0.080 0.000 2.300 137 Q HA 0.131 4.471 4.340 -0.000 0.000 0.280 137 Q C -2.396 173.656 176.000 0.086 0.000 1.033 137 Q CA -1.645 54.198 55.803 0.066 0.000 0.903 137 Q CB 0.763 29.542 28.738 0.068 0.000 1.195 137 Q HN 0.194 nan 8.270 nan 0.000 0.386 138 P HA 0.057 nan 4.420 nan 0.000 0.276 138 P C 0.237 177.587 177.300 0.084 0.000 1.235 138 P CA 0.853 63.987 63.100 0.056 0.000 0.772 138 P CB 0.930 32.658 31.700 0.047 0.000 0.871 139 G N 2.747 111.599 108.800 0.087 0.000 2.199 139 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 139 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 139 G C 0.313 175.355 174.900 0.238 0.000 0.982 139 G CA 0.088 45.279 45.100 0.152 0.000 0.632 139 G HN 0.767 nan 8.290 nan 0.000 0.529 140 R N 0.409 121.030 120.500 0.202 0.000 2.312 140 R HA 0.429 4.769 4.340 -0.000 0.000 0.311 140 R C 0.640 177.129 176.300 0.315 0.000 1.004 140 R CA -0.921 55.346 56.100 0.278 0.000 0.902 140 R CB 0.337 30.774 30.300 0.229 0.000 1.073 140 R HN 0.281 nan 8.270 nan 0.000 0.457 141 W N 6.657 128.104 121.300 0.245 0.000 2.170 141 W HA 0.129 4.789 4.660 -0.000 0.000 0.342 141 W C -1.618 175.037 176.519 0.228 0.000 1.294 141 W CA 0.268 57.732 57.345 0.198 0.000 1.246 141 W CB 0.440 30.051 29.460 0.252 0.000 1.156 141 W HN 0.571 nan 8.180 nan 0.000 0.572 142 F N 7.656 127.200 119.950 -0.677 0.000 2.670 142 F HA 0.297 4.824 4.527 -0.000 0.000 0.332 142 F C -1.636 173.750 175.800 -0.690 0.000 1.179 142 F CA -0.959 56.779 58.000 -0.437 0.000 1.076 142 F CB 0.935 39.805 39.000 -0.217 0.000 1.322 142 F HN 0.189 nan 8.300 nan 0.000 0.515 143 M N 6.976 126.038 119.600 -0.895 0.000 2.142 143 M HA 0.488 4.968 4.480 -0.000 0.000 0.299 143 M C -0.862 175.115 176.300 -0.538 0.000 0.960 143 M CA -0.406 54.570 55.300 -0.540 0.000 0.920 143 M CB 1.424 33.925 32.600 -0.165 0.000 1.541 143 M HN 0.651 nan 8.290 nan 0.000 0.429 144 R N 2.988 123.322 120.500 -0.277 0.000 2.641 144 R HA 0.690 5.030 4.340 -0.000 0.000 0.269 144 R C -0.366 175.877 176.300 -0.096 0.000 1.074 144 R CA 0.109 56.139 56.100 -0.117 0.000 1.133 144 R CB 0.705 31.033 30.300 0.046 0.000 1.029 144 R HN 0.917 nan 8.270 nan 0.000 0.488 145 A N 2.829 125.615 122.820 -0.057 0.000 2.567 145 A HA 0.288 4.608 4.320 -0.000 0.000 0.240 145 A C 1.121 178.692 177.584 -0.021 0.000 1.053 145 A CA 0.852 52.869 52.037 -0.033 0.000 0.755 145 A CB -0.475 18.518 19.000 -0.011 0.000 0.978 145 A HN 1.371 nan 8.150 nan 0.000 0.507 146 A N 1.647 124.456 122.820 -0.018 0.000 3.172 146 A HA -0.190 4.130 4.320 -0.000 0.000 0.263 146 A C 0.378 177.954 177.584 -0.015 0.000 1.215 146 A CA 1.787 53.818 52.037 -0.011 0.000 1.065 146 A CB -2.351 16.645 19.000 -0.006 0.000 1.148 146 A HN 0.982 nan 8.150 nan 0.000 0.904 147 Q N -1.927 117.857 119.800 -0.026 0.000 2.309 147 Q HA 0.703 5.043 4.340 -0.000 0.000 0.264 147 Q C 0.970 176.952 176.000 -0.030 0.000 1.008 147 Q CA 0.039 55.821 55.803 -0.035 0.000 0.853 147 Q CB 1.814 30.519 28.738 -0.055 0.000 1.314 147 Q HN 0.870 nan 8.270 nan 0.000 0.448 148 A N 1.081 123.885 122.820 -0.028 0.000 2.169 148 A HA 0.503 4.823 4.320 -0.000 0.000 0.210 148 A C 0.367 177.926 177.584 -0.042 0.000 1.168 148 A CA 0.604 52.635 52.037 -0.011 0.000 0.813 148 A CB 0.560 19.559 19.000 -0.003 0.000 0.861 148 A HN 0.580 nan 8.150 nan 0.000 0.481 149 A N -0.302 122.465 122.820 -0.088 0.000 2.414 149 A HA 0.616 4.936 4.320 -0.000 0.000 0.286 149 A C -0.660 176.822 177.584 -0.170 0.000 1.073 149 A CA -0.232 51.718 52.037 -0.144 0.000 0.727 149 A CB 0.825 19.740 19.000 -0.141 0.000 1.215 149 A HN 0.046 nan 8.150 nan 0.000 0.430 150 T N 2.115 116.525 114.554 -0.240 0.000 2.864 150 T HA 0.632 4.982 4.350 -0.000 0.000 0.299 150 T C 0.056 174.586 174.700 -0.284 0.000 1.011 150 T CA 0.049 62.011 62.100 -0.230 0.000 0.975 150 T CB 1.322 70.068 68.868 -0.203 0.000 0.962 150 T HN 1.195 nan 8.240 nan 0.000 0.448 151 A N 2.895 125.555 122.820 -0.266 0.000 2.304 151 A HA 0.928 5.248 4.320 -0.000 0.000 0.301 151 A C -0.351 176.993 177.584 -0.401 0.000 1.132 151 A CA -0.613 51.236 52.037 -0.313 0.000 0.819 151 A CB 0.994 19.832 19.000 -0.269 0.000 1.094 151 A HN 0.718 nan 8.150 nan 0.000 0.492 152 V N 1.732 121.361 119.914 -0.475 0.000 3.225 152 V HA 0.493 4.613 4.120 -0.000 0.000 0.293 152 V C -0.498 175.275 176.094 -0.535 0.000 1.405 152 V CA -0.204 61.732 62.300 -0.606 0.000 1.038 152 V CB 2.373 33.595 31.823 -1.002 0.000 1.123 152 V HN 1.528 nan 8.190 nan 0.000 0.447 153 V N 2.088 121.699 119.914 -0.505 0.000 2.775 153 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 153 V C 0.728 176.711 176.094 -0.184 0.000 1.062 153 V CA 0.692 62.721 62.300 -0.451 0.000 1.063 153 V CB 0.782 32.330 31.823 -0.459 0.000 0.994 153 V HN 1.523 nan 8.190 nan 0.000 0.483 154 C N 1.222 120.437 119.300 -0.142 0.000 4.015 154 C HA 0.846 5.306 4.460 -0.000 0.000 0.323 154 C C 0.789 175.778 174.990 -0.003 0.000 1.724 154 C CA 0.094 59.093 59.018 -0.033 0.000 1.828 154 C CB -0.817 26.903 27.740 -0.033 0.000 3.083 154 C HN 1.607 nan 8.230 nan 0.000 0.640 155 G N 0.482 109.281 108.800 -0.002 0.000 2.550 155 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 155 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 155 G C -2.821 172.154 174.900 0.125 0.000 1.402 155 G CA -0.515 44.621 45.100 0.060 0.000 0.784 155 G HN -0.214 nan 8.290 nan 0.000 0.482 156 P HA 0.071 nan 4.420 nan 0.000 0.220 156 P C 0.500 178.002 177.300 0.336 0.000 1.148 156 P CA 1.585 64.823 63.100 0.229 0.000 0.803 156 P CB 0.283 32.090 31.700 0.179 0.000 0.782 157 D N -3.196 117.385 120.400 0.302 0.000 2.650 157 D HA 0.240 4.880 4.640 -0.000 0.000 0.265 157 D C -0.071 176.417 176.300 0.314 0.000 1.339 157 D CA -0.126 54.081 54.000 0.345 0.000 0.816 157 D CB -0.108 40.853 40.800 0.268 0.000 1.091 157 D HN 0.017 nan 8.370 nan 0.000 0.483 158 M N 1.619 121.369 119.600 0.249 0.000 2.457 158 M HA 0.574 5.053 4.480 -0.000 0.000 0.300 158 M C -1.611 174.626 176.300 -0.104 0.000 1.141 158 M CA -0.982 54.377 55.300 0.099 0.000 0.901 158 M CB 2.590 35.230 32.600 0.066 0.000 1.687 158 M HN 0.205 nan 8.290 nan 0.000 0.449 159 I N 0.570 121.065 120.570 -0.124 0.000 2.994 159 I HA 0.803 4.973 4.170 -0.000 0.000 0.306 159 I C -1.785 174.231 176.117 -0.170 0.000 1.195 159 I CA -0.726 60.405 61.300 -0.281 0.000 1.001 159 I CB 2.583 40.322 38.000 -0.435 0.000 1.244 159 I HN 0.757 nan 8.210 nan 0.000 0.437 160 Q N 2.872 122.538 119.800 -0.224 0.000 2.284 160 Q HA 0.696 5.036 4.340 -0.000 0.000 0.269 160 Q C -1.982 173.863 176.000 -0.258 0.000 1.026 160 Q CA -0.978 54.712 55.803 -0.188 0.000 0.831 160 Q CB 2.711 31.356 28.738 -0.155 0.000 1.322 160 Q HN 0.579 nan 8.270 nan 0.000 0.419 161 V N 1.689 121.457 119.914 -0.243 0.000 2.398 161 V HA 0.421 4.541 4.120 -0.000 0.000 0.286 161 V C -0.227 175.660 176.094 -0.345 0.000 1.026 161 V CA -0.603 61.525 62.300 -0.286 0.000 0.868 161 V CB 1.656 33.331 31.823 -0.246 0.000 0.982 161 V HN 0.854 nan 8.190 nan 0.000 0.443 162 S N 6.297 121.716 115.700 -0.468 0.000 2.422 162 S HA 0.587 5.057 4.470 -0.000 0.000 0.298 162 S C -0.535 173.757 174.600 -0.513 0.000 1.118 162 S CA -0.505 57.252 58.200 -0.738 0.000 1.083 162 S CB 0.534 62.939 63.200 -1.326 0.000 0.971 162 S HN 0.400 nan 8.310 nan 0.000 0.478 163 L N 3.969 125.057 121.223 -0.225 0.000 2.322 163 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 163 L C 0.146 177.188 176.870 0.286 0.000 1.014 163 L CA -0.539 54.295 54.840 -0.010 0.000 0.815 163 L CB 1.375 43.413 42.059 -0.035 0.000 1.247 163 L HN 0.520 nan 8.230 nan 0.000 0.421 164 N N 1.339 120.183 118.700 0.239 0.000 2.513 164 N HA 0.315 5.055 4.740 -0.000 0.000 0.274 164 N C 0.121 175.708 175.510 0.129 0.000 1.189 164 N CA -0.328 52.877 53.050 0.257 0.000 0.975 164 N CB 1.404 39.995 38.487 0.173 0.000 1.157 164 N HN 0.684 nan 8.380 nan 0.000 0.465 165 A N 0.316 123.190 122.820 0.091 0.000 2.566 165 A HA 0.376 4.696 4.320 -0.000 0.000 0.245 165 A C 1.402 179.007 177.584 0.036 0.000 1.056 165 A CA 0.770 52.839 52.037 0.053 0.000 0.757 165 A CB -0.901 18.117 19.000 0.029 0.000 0.979 165 A HN 0.945 nan 8.150 nan 0.000 0.508 166 G N 1.014 109.829 108.800 0.025 0.000 2.212 166 G HA2 0.087 4.047 3.960 -0.000 0.000 0.266 166 G HA3 0.087 4.047 3.960 -0.000 0.000 0.266 166 G C 0.686 175.589 174.900 0.005 0.000 0.978 166 G CA 0.736 45.844 45.100 0.013 0.000 0.632 166 G HN 2.220 nan 8.290 nan 0.000 0.537 167 A N 0.020 122.844 122.820 0.006 0.000 2.313 167 A HA 0.874 5.194 4.320 -0.000 0.000 0.261 167 A C 0.684 178.234 177.584 -0.057 0.000 1.090 167 A CA 0.918 52.947 52.037 -0.013 0.000 0.807 167 A CB 0.395 19.395 19.000 -0.001 0.000 1.055 167 A HN 1.615 nan 8.150 nan 0.000 0.492 168 R N -0.559 119.897 120.500 -0.074 0.000 2.752 168 R HA 0.796 5.136 4.340 -0.000 0.000 0.271 168 R C -0.357 175.854 176.300 -0.148 0.000 1.026 168 R CA -0.381 55.619 56.100 -0.166 0.000 0.901 168 R CB 1.150 31.396 30.300 -0.090 0.000 1.243 168 R HN 1.874 nan 8.270 nan 0.000 0.463 169 G N 0.510 109.117 108.800 -0.321 0.000 2.361 169 G HA2 0.237 4.197 3.960 -0.000 0.000 0.299 169 G HA3 0.237 4.197 3.960 -0.000 0.000 0.299 169 G C -2.029 172.821 174.900 -0.084 0.000 1.544 169 G CA -0.888 44.157 45.100 -0.091 0.000 0.860 169 G HN 0.497 nan 8.290 nan 0.000 0.610 170 D N -0.015 120.450 120.400 0.109 0.000 2.304 170 D HA 0.421 5.061 4.640 -0.000 0.000 0.250 170 D C 1.076 177.371 176.300 -0.008 0.000 1.107 170 D CA -0.194 53.858 54.000 0.088 0.000 0.885 170 D CB 2.220 43.075 40.800 0.092 0.000 1.192 170 D HN 0.120 nan 8.370 nan 0.000 0.436 171 V N 2.191 122.085 119.914 -0.032 0.000 3.455 171 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 171 V C 2.369 178.528 176.094 0.108 0.000 1.230 171 V CA 0.065 62.353 62.300 -0.021 0.000 1.105 171 V CB -0.167 31.610 31.823 -0.076 0.000 0.850 171 V HN 0.525 nan 8.190 nan 0.000 0.461 172 Q N 2.402 122.291 119.800 0.149 0.000 2.188 172 Q HA -0.379 3.961 4.340 -0.000 0.000 0.217 172 Q C 1.886 178.159 176.000 0.454 0.000 1.018 172 Q CA 2.748 58.788 55.803 0.394 0.000 0.910 172 Q CB -1.152 27.810 28.738 0.374 0.000 0.979 172 Q HN 0.813 nan 8.270 nan 0.000 0.413 173 Q N 0.480 120.421 119.800 0.235 0.000 2.449 173 Q HA -0.143 4.197 4.340 -0.000 0.000 0.214 173 Q C 1.914 177.999 176.000 0.141 0.000 0.986 173 Q CA 1.496 57.400 55.803 0.168 0.000 0.893 173 Q CB -0.636 28.156 28.738 0.090 0.000 0.940 173 Q HN 0.546 nan 8.270 nan 0.000 0.477 174 I N -0.052 120.581 120.570 0.105 0.000 2.439 174 I HA -0.093 4.077 4.170 -0.000 0.000 0.251 174 I C 1.452 177.586 176.117 0.029 0.000 1.139 174 I CA 0.810 62.075 61.300 -0.058 0.000 1.438 174 I CB -0.118 37.700 38.000 -0.305 0.000 1.085 174 I HN -0.021 nan 8.210 nan 0.000 0.427 175 F N 0.473 120.536 119.950 0.187 0.000 2.149 175 F HA 0.066 4.593 4.527 -0.000 0.000 0.294 175 F C 1.553 177.433 175.800 0.132 0.000 1.095 175 F CA 0.416 58.478 58.000 0.104 0.000 1.276 175 F CB -1.058 37.956 39.000 0.024 0.000 1.023 175 F HN -0.055 nan 8.300 nan 0.000 0.480 176 Q N 0.044 120.046 119.800 0.337 0.000 2.414 176 Q HA 0.254 4.594 4.340 -0.000 0.000 0.288 176 Q C 1.335 177.434 176.000 0.164 0.000 1.086 176 Q CA 0.997 56.920 55.803 0.201 0.000 0.943 176 Q CB 0.053 28.881 28.738 0.150 0.000 1.282 176 Q HN 0.566 nan 8.270 nan 0.000 0.438 177 G N 1.157 110.028 108.800 0.117 0.000 2.268 177 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.240 177 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.240 177 G C -0.171 174.784 174.900 0.092 0.000 1.010 177 G CA 0.015 45.169 45.100 0.089 0.000 0.618 177 G HN 0.540 nan 8.290 nan 0.000 0.516 178 R N 0.851 121.434 120.500 0.139 0.000 2.474 178 R HA 0.649 4.989 4.340 -0.000 0.000 0.295 178 R C 0.872 177.184 176.300 0.019 0.000 0.980 178 R CA -0.116 56.047 56.100 0.106 0.000 0.934 178 R CB 0.735 31.156 30.300 0.202 0.000 1.101 178 R HN 0.503 nan 8.270 nan 0.000 0.469 179 N N 0.616 119.288 118.700 -0.046 0.000 1.202 179 N HA -0.339 4.401 4.740 -0.000 0.000 0.108 179 N C -0.575 174.913 175.510 -0.037 0.000 0.816 179 N CA 1.746 54.752 53.050 -0.074 0.000 0.848 179 N CB -0.466 37.917 38.487 -0.173 0.000 0.972 179 N HN 0.837 nan 8.380 nan 0.000 0.645 180 D N -0.158 120.223 120.400 -0.032 0.000 3.449 180 D HA 0.249 4.889 4.640 -0.000 0.000 0.262 180 D C -2.872 173.419 176.300 -0.015 0.000 1.343 180 D CA -0.856 53.126 54.000 -0.030 0.000 0.787 180 D CB 0.364 41.132 40.800 -0.052 0.000 1.412 180 D HN 0.302 nan 8.370 nan 0.000 0.652 181 P HA 0.178 nan 4.420 nan 0.000 0.272 181 P C 0.408 177.694 177.300 -0.022 0.000 1.240 181 P CA -0.350 62.793 63.100 0.072 0.000 0.791 181 P CB 1.313 33.118 31.700 0.175 0.000 0.978 182 M N -0.574 119.016 119.600 -0.017 0.000 2.470 182 M HA 0.235 4.715 4.480 -0.000 0.000 0.262 182 M C 0.315 176.555 176.300 -0.100 0.000 1.211 182 M CA 0.613 55.878 55.300 -0.059 0.000 1.125 182 M CB 0.381 32.968 32.600 -0.022 0.000 1.480 182 M HN 0.258 nan 8.290 nan 0.000 0.541 183 M N 1.041 120.601 119.600 -0.068 0.000 2.265 183 M HA 0.477 4.957 4.480 -0.000 0.000 0.262 183 M C -2.106 174.091 176.300 -0.172 0.000 1.026 183 M CA -0.212 54.972 55.300 -0.194 0.000 0.987 183 M CB 1.748 34.267 32.600 -0.134 0.000 1.937 183 M HN 0.020 nan 8.290 nan 0.000 0.481 184 I N 4.712 125.097 120.570 -0.308 0.000 2.354 184 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 184 I C -1.221 174.687 176.117 -0.349 0.000 0.989 184 I CA -0.780 60.444 61.300 -0.127 0.000 1.188 184 I CB 1.267 39.220 38.000 -0.079 0.000 1.342 184 I HN 0.567 nan 8.210 nan 0.000 0.457 185 Y N 6.348 126.542 120.300 -0.178 0.000 2.341 185 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 185 Y C -0.193 175.640 175.900 -0.112 0.000 0.997 185 Y CA -0.617 57.323 58.100 -0.267 0.000 1.149 185 Y CB 0.921 38.910 38.460 -0.786 0.000 1.171 185 Y HN 0.318 nan 8.280 nan 0.000 0.494 186 L N 3.076 124.340 121.223 0.068 0.000 2.304 186 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 186 L C -0.718 176.225 176.870 0.122 0.000 1.010 186 L CA -1.304 53.595 54.840 0.099 0.000 0.813 186 L CB 1.973 44.067 42.059 0.059 0.000 1.315 186 L HN 0.365 nan 8.230 nan 0.000 0.445 187 V N 2.339 122.340 119.914 0.144 0.000 2.770 187 V HA 0.354 4.474 4.120 -0.000 0.000 0.280 187 V C -1.692 174.485 176.094 0.139 0.000 1.189 187 V CA -0.581 61.783 62.300 0.107 0.000 0.932 187 V CB 1.064 32.925 31.823 0.063 0.000 1.065 187 V HN 0.763 nan 8.190 nan 0.000 0.462 188 W N 6.438 127.737 121.300 -0.001 0.000 2.448 188 W HA 0.865 5.525 4.660 -0.000 0.000 0.339 188 W C -0.935 175.581 176.519 -0.006 0.000 1.124 188 W CA -0.872 56.467 57.345 -0.011 0.000 1.262 188 W CB 1.192 30.627 29.460 -0.042 0.000 1.251 188 W HN 0.566 nan 8.180 nan 0.000 0.597 189 R N 1.470 122.018 120.500 0.080 0.000 2.855 189 R HA 0.526 4.866 4.340 -0.000 0.000 0.266 189 R C -0.649 175.718 176.300 0.112 0.000 1.034 189 R CA -1.384 54.653 56.100 -0.104 0.000 0.944 189 R CB 2.563 32.826 30.300 -0.061 0.000 1.219 189 R HN 0.431 nan 8.270 nan 0.000 0.474 190 R N 1.183 121.707 120.500 0.039 0.000 2.229 190 R HA 0.357 4.697 4.340 -0.000 0.000 0.328 190 R C -0.198 176.157 176.300 0.091 0.000 1.009 190 R CA -0.402 55.772 56.100 0.124 0.000 0.864 190 R CB 0.849 31.219 30.300 0.117 0.000 1.085 190 R HN 0.450 nan 8.270 nan 0.000 0.453 191 I N 3.623 124.247 120.570 0.090 0.000 2.278 191 I HA -0.035 4.135 4.170 -0.000 0.000 0.300 191 I C 1.300 177.565 176.117 0.246 0.000 1.174 191 I CA 0.051 61.423 61.300 0.120 0.000 1.347 191 I CB 0.442 38.472 38.000 0.051 0.000 1.473 191 I HN 0.609 nan 8.210 nan 0.000 0.595 192 E N 3.976 124.289 120.200 0.187 0.000 2.130 192 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 192 E C 0.564 177.288 176.600 0.207 0.000 0.998 192 E CA 1.349 57.857 56.400 0.181 0.000 0.806 192 E CB 0.127 29.887 29.700 0.100 0.000 0.738 192 E HN 0.612 nan 8.360 nan 0.000 0.459 193 N N -0.672 118.158 118.700 0.217 0.000 2.461 193 N HA 0.221 4.961 4.740 -0.000 0.000 0.284 193 N C -1.514 174.140 175.510 0.240 0.000 1.049 193 N CA -0.392 52.736 53.050 0.129 0.000 0.889 193 N CB 0.643 39.164 38.487 0.057 0.000 1.365 193 N HN -0.052 nan 8.380 nan 0.000 0.499 194 F N 1.198 121.189 119.950 0.068 0.000 2.613 194 F HA 0.801 5.328 4.527 -0.000 0.000 0.314 194 F C -0.549 175.305 175.800 0.091 0.000 1.075 194 F CA -1.277 56.778 58.000 0.093 0.000 0.945 194 F CB 0.626 39.707 39.000 0.135 0.000 1.310 194 F HN 0.292 nan 8.300 nan 0.000 0.467 195 A N 3.790 126.766 122.820 0.259 0.000 2.388 195 A HA 0.619 4.939 4.320 -0.000 0.000 0.257 195 A C -0.085 177.644 177.584 0.241 0.000 1.095 195 A CA -0.514 51.617 52.037 0.157 0.000 0.791 195 A CB 0.234 19.330 19.000 0.161 0.000 1.029 195 A HN 0.739 nan 8.150 nan 0.000 0.489 196 M N 1.529 121.179 119.600 0.084 0.000 2.368 196 M HA 0.350 4.830 4.480 -0.000 0.000 0.311 196 M C 1.670 178.040 176.300 0.117 0.000 1.168 196 M CA -0.141 55.196 55.300 0.061 0.000 1.044 196 M CB 0.954 33.482 32.600 -0.120 0.000 1.506 196 M HN 0.890 nan 8.290 nan 0.000 0.475 197 A N 0.875 123.767 122.820 0.121 0.000 1.971 197 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 197 A C 1.765 179.400 177.584 0.085 0.000 1.182 197 A CA 1.785 53.911 52.037 0.148 0.000 0.649 197 A CB -0.392 18.676 19.000 0.114 0.000 0.818 197 A HN 0.807 nan 8.150 nan 0.000 0.458 198 Q N -2.757 117.062 119.800 0.032 0.000 2.250 198 Q HA 0.178 4.518 4.340 -0.000 0.000 0.200 198 Q C 1.551 177.564 176.000 0.022 0.000 0.941 198 Q CA 1.292 57.105 55.803 0.017 0.000 0.872 198 Q CB 0.311 29.042 28.738 -0.012 0.000 0.965 198 Q HN 1.026 nan 8.270 nan 0.000 0.480 199 G N 1.242 110.055 108.800 0.022 0.000 2.318 199 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.172 199 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.172 199 G C -0.124 174.773 174.900 -0.005 0.000 1.002 199 G CA -0.101 45.013 45.100 0.022 0.000 0.697 199 G HN 0.491 nan 8.290 nan 0.000 0.483 200 N N 0.810 119.489 118.700 -0.035 0.000 2.529 200 N HA 0.545 5.285 4.740 -0.000 0.000 0.278 200 N C 0.242 175.688 175.510 -0.107 0.000 1.146 200 N CA 0.111 53.122 53.050 -0.065 0.000 0.980 200 N CB 1.272 39.712 38.487 -0.078 0.000 1.124 200 N HN 0.050 nan 8.380 nan 0.000 0.458 201 S N 0.433 116.065 115.700 -0.114 0.000 2.562 201 S HA 0.063 4.533 4.470 -0.000 0.000 0.281 201 S C -0.094 174.336 174.600 -0.282 0.000 1.333 201 S CA -0.334 57.764 58.200 -0.171 0.000 1.052 201 S CB 0.700 63.833 63.200 -0.112 0.000 0.884 201 S HN 0.699 nan 8.310 nan 0.000 0.506 202 Q N 1.159 120.656 119.800 -0.505 0.000 2.389 202 Q HA 0.506 4.846 4.340 -0.000 0.000 0.277 202 Q C -1.571 174.035 176.000 -0.657 0.000 1.082 202 Q CA -0.583 54.819 55.803 -0.669 0.000 0.810 202 Q CB 1.542 29.661 28.738 -1.031 0.000 1.374 202 Q HN 0.541 nan 8.270 nan 0.000 0.422 203 Q N 0.292 119.916 119.800 -0.294 0.000 2.274 203 Q HA 0.601 4.941 4.340 -0.000 0.000 0.260 203 Q C -1.175 174.933 176.000 0.180 0.000 0.974 203 Q CA -0.263 55.518 55.803 -0.036 0.000 0.876 203 Q CB 2.191 30.922 28.738 -0.013 0.000 1.297 203 Q HN 0.625 nan 8.270 nan 0.000 0.446 204 T N 3.714 118.457 114.554 0.316 0.000 2.753 204 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 204 T C -0.551 174.251 174.700 0.169 0.000 0.981 204 T CA -0.738 61.547 62.100 0.308 0.000 0.956 204 T CB 0.506 69.553 68.868 0.298 0.000 0.936 204 T HN 0.315 nan 8.240 nan 0.000 0.463 205 Q N 1.844 121.721 119.800 0.129 0.000 2.373 205 Q HA 0.403 4.743 4.340 -0.000 0.000 0.255 205 Q C 0.193 176.247 176.000 0.089 0.000 0.980 205 Q CA -0.316 55.540 55.803 0.088 0.000 0.882 205 Q CB 0.659 29.436 28.738 0.065 0.000 1.249 205 Q HN 0.802 nan 8.270 nan 0.000 0.438 206 A N 0.821 123.685 122.820 0.072 0.000 2.491 206 A HA 0.478 4.798 4.320 -0.000 0.000 0.261 206 A C 1.019 178.646 177.584 0.071 0.000 1.101 206 A CA 0.796 52.877 52.037 0.073 0.000 0.772 206 A CB -0.304 18.728 19.000 0.053 0.000 1.043 206 A HN 0.863 nan 8.150 nan 0.000 0.501 207 G N 1.513 110.366 108.800 0.089 0.000 3.509 207 G HA2 0.033 3.993 3.960 -0.000 0.000 0.220 207 G HA3 0.033 3.993 3.960 -0.000 0.000 0.220 207 G C 0.087 175.033 174.900 0.076 0.000 0.951 207 G CA 0.056 45.200 45.100 0.074 0.000 0.844 207 G HN 1.021 nan 8.290 nan 0.000 0.568 208 V N 2.617 122.588 119.914 0.096 0.000 2.763 208 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 208 V C 0.833 176.952 176.094 0.041 0.000 1.059 208 V CA 1.110 63.441 62.300 0.052 0.000 1.138 208 V CB 1.053 32.920 31.823 0.074 0.000 0.940 208 V HN 0.784 nan 8.190 nan 0.000 0.489 209 T N 1.312 115.799 114.554 -0.111 0.000 2.881 209 T HA 0.653 5.003 4.350 -0.000 0.000 0.291 209 T C -0.972 173.480 174.700 -0.413 0.000 0.990 209 T CA -0.683 61.316 62.100 -0.168 0.000 0.976 209 T CB 1.386 70.218 68.868 -0.060 0.000 0.970 209 T HN 0.310 nan 8.240 nan 0.000 0.438 210 V N 3.981 123.479 119.914 -0.693 0.000 2.370 210 V HA 0.698 4.818 4.120 -0.000 0.000 0.283 210 V C 0.364 176.209 176.094 -0.415 0.000 1.023 210 V CA -0.613 61.206 62.300 -0.802 0.000 0.857 210 V CB 1.175 32.032 31.823 -1.610 0.000 0.985 210 V HN 1.176 nan 8.190 nan 0.000 0.443 211 S N 4.375 119.909 115.700 -0.277 0.000 2.536 211 S HA 0.860 5.330 4.470 -0.000 0.000 0.298 211 S C -0.909 173.586 174.600 -0.175 0.000 1.083 211 S CA -0.777 57.332 58.200 -0.151 0.000 0.995 211 S CB 2.102 65.263 63.200 -0.065 0.000 1.058 211 S HN 0.360 nan 8.310 nan 0.000 0.488 212 V N 1.650 121.478 119.914 -0.144 0.000 2.448 212 V HA 0.702 4.822 4.120 -0.000 0.000 0.295 212 V C 1.198 177.249 176.094 -0.071 0.000 1.025 212 V CA -0.048 62.149 62.300 -0.171 0.000 0.859 212 V CB 0.610 32.319 31.823 -0.191 0.000 0.988 212 V HN 1.563 nan 8.190 nan 0.000 0.431 213 G N 3.221 111.992 108.800 -0.047 0.000 2.337 213 G HA2 0.001 3.961 3.960 -0.000 0.000 0.290 213 G HA3 0.001 3.961 3.960 -0.000 0.000 0.290 213 G C 1.222 176.106 174.900 -0.026 0.000 1.003 213 G CA 1.252 46.346 45.100 -0.011 0.000 0.825 213 G HN 2.273 nan 8.290 nan 0.000 0.509 214 G N -2.878 105.896 108.800 -0.044 0.000 2.284 214 G HA2 0.001 3.961 3.960 -0.000 0.000 0.216 214 G HA3 0.001 3.961 3.960 -0.000 0.000 0.216 214 G C 0.766 175.649 174.900 -0.028 0.000 1.009 214 G CA 0.789 45.864 45.100 -0.042 0.000 0.625 214 G HN 1.888 nan 8.290 nan 0.000 0.501 215 V N 1.786 121.687 119.914 -0.022 0.000 2.546 215 V HA 0.579 4.699 4.120 -0.000 0.000 0.284 215 V C 0.057 176.143 176.094 -0.013 0.000 1.050 215 V CA -0.002 62.293 62.300 -0.010 0.000 0.981 215 V CB 1.473 33.297 31.823 0.002 0.000 0.990 215 V HN 0.346 nan 8.190 nan 0.000 0.474 216 D N 5.882 126.283 120.400 0.002 0.000 2.348 216 D HA 0.338 4.978 4.640 -0.000 0.000 0.253 216 D C -0.247 176.083 176.300 0.049 0.000 1.161 216 D CA -0.109 53.898 54.000 0.012 0.000 0.876 216 D CB 0.564 41.380 40.800 0.025 0.000 1.160 216 D HN 0.380 nan 8.370 nan 0.000 0.459 217 M N 2.637 122.282 119.600 0.075 0.000 2.508 217 M HA 0.396 4.876 4.480 -0.000 0.000 0.327 217 M C 0.308 176.831 176.300 0.372 0.000 1.160 217 M CA -0.572 54.833 55.300 0.175 0.000 0.980 217 M CB 1.751 34.446 32.600 0.159 0.000 1.693 217 M HN 0.302 nan 8.290 nan 0.000 0.452 218 R N 0.615 121.279 120.500 0.273 0.000 2.615 218 R HA 0.649 4.989 4.340 -0.000 0.000 0.270 218 R C -0.056 176.227 176.300 -0.028 0.000 1.081 218 R CA -0.417 55.791 56.100 0.180 0.000 1.154 218 R CB 0.635 30.959 30.300 0.040 0.000 1.063 218 R HN 0.813 nan 8.270 nan 0.000 0.519 219 A N 0.324 122.809 122.820 -0.559 0.000 2.310 219 A HA 0.503 4.823 4.320 -0.000 0.000 0.299 219 A C 0.968 178.169 177.584 -0.638 0.000 1.147 219 A CA 0.288 51.479 52.037 -1.410 0.000 0.818 219 A CB 0.663 18.613 19.000 -1.750 0.000 1.096 219 A HN 0.854 nan 8.150 nan 0.000 0.495 220 G N 0.728 109.213 108.800 -0.525 0.000 2.179 220 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 220 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 220 G C 0.288 175.110 174.900 -0.131 0.000 0.977 220 G CA 0.692 45.644 45.100 -0.247 0.000 0.641 220 G HN 0.856 nan 8.290 nan 0.000 0.533 221 R N -0.160 120.270 120.500 -0.117 0.000 2.604 221 R HA 0.748 5.088 4.340 -0.000 0.000 0.287 221 R C 0.852 177.172 176.300 0.033 0.000 0.970 221 R CA -0.839 55.249 56.100 -0.019 0.000 0.946 221 R CB 0.702 31.003 30.300 0.001 0.000 1.127 221 R HN 0.280 nan 8.270 nan 0.000 0.473 222 I N 3.538 124.149 120.570 0.068 0.000 2.696 222 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 222 I C 0.018 176.211 176.117 0.126 0.000 1.129 222 I CA 0.131 61.499 61.300 0.112 0.000 1.410 222 I CB 0.487 38.572 38.000 0.142 0.000 1.399 222 I HN 0.361 nan 8.210 nan 0.000 0.579 223 I N 4.520 125.169 120.570 0.130 0.000 2.499 223 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 223 I C 0.038 176.171 176.117 0.027 0.000 1.048 223 I CA -0.484 60.872 61.300 0.092 0.000 1.062 223 I CB 1.962 40.006 38.000 0.073 0.000 1.238 223 I HN 0.604 nan 8.210 nan 0.000 0.426 224 A N 6.083 128.904 122.820 0.003 0.000 2.671 224 A HA 0.239 4.559 4.320 -0.000 0.000 0.306 224 A C -1.160 176.369 177.584 -0.092 0.000 1.473 224 A CA -0.099 51.830 52.037 -0.181 0.000 1.155 224 A CB -0.397 18.583 19.000 -0.032 0.000 1.123 224 A HN 0.680 nan 8.150 nan 0.000 0.545 225 W N 4.304 125.372 121.300 -0.387 0.000 2.376 225 W HA 0.358 5.018 4.660 -0.000 0.000 0.312 225 W C 0.453 176.805 176.519 -0.278 0.000 1.060 225 W CA -1.366 55.804 57.345 -0.291 0.000 1.221 225 W CB 1.082 30.359 29.460 -0.306 0.000 1.281 225 W HN 0.781 nan 8.180 nan 0.000 0.456 226 D N 2.945 123.064 120.400 -0.469 0.000 2.371 226 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 226 D C 1.554 177.323 176.300 -0.885 0.000 0.986 226 D CA 0.937 54.621 54.000 -0.527 0.000 0.899 226 D CB -0.097 40.549 40.800 -0.258 0.000 0.902 226 D HN 0.801 nan 8.370 nan 0.000 0.530 227 G N 0.783 108.381 108.800 -2.003 0.000 2.205 227 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.261 227 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.261 227 G C 1.187 175.571 174.900 -0.861 0.000 0.980 227 G CA 0.447 44.343 45.100 -2.007 0.000 0.632 227 G HN 0.362 nan 8.290 nan 0.000 0.533 228 Q N -0.254 119.279 119.800 -0.444 0.000 2.402 228 Q HA 0.526 4.866 4.340 -0.000 0.000 0.231 228 Q C 1.721 177.801 176.000 0.132 0.000 0.888 228 Q CA 0.882 56.636 55.803 -0.082 0.000 0.938 228 Q CB 0.198 28.881 28.738 -0.092 0.000 1.086 228 Q HN 0.979 nan 8.270 nan 0.000 0.543 229 A N 1.308 124.304 122.820 0.293 0.000 2.366 229 A HA 0.498 4.818 4.320 -0.000 0.000 0.250 229 A C 0.048 177.812 177.584 0.300 0.000 1.099 229 A CA 0.269 52.495 52.037 0.315 0.000 0.794 229 A CB 0.078 19.268 19.000 0.317 0.000 1.056 229 A HN 0.230 nan 8.150 nan 0.000 0.499 230 A N 0.301 123.180 122.820 0.099 0.000 2.438 230 A HA 0.448 4.768 4.320 -0.000 0.000 0.280 230 A C -0.140 177.375 177.584 -0.116 0.000 1.160 230 A CA -0.193 51.850 52.037 0.010 0.000 0.821 230 A CB -0.523 18.462 19.000 -0.026 0.000 1.101 230 A HN 1.077 nan 8.150 nan 0.000 0.515 231 L N 4.252 125.358 121.223 -0.195 0.000 2.397 231 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 231 L C -0.170 176.586 176.870 -0.190 0.000 1.136 231 L CA 0.003 54.606 54.840 -0.395 0.000 1.019 231 L CB -0.585 41.085 42.059 -0.649 0.000 1.352 231 L HN 0.742 nan 8.230 nan 0.000 0.420 232 H N 1.952 120.865 119.070 -0.261 0.000 2.467 232 H HA 0.683 5.239 4.556 -0.000 0.000 0.326 232 H C -0.990 174.183 175.328 -0.258 0.000 1.094 232 H CA -0.463 55.459 56.048 -0.210 0.000 1.253 232 H CB 1.259 30.928 29.762 -0.154 0.000 1.439 232 H HN 0.261 nan 8.280 nan 0.000 0.479 233 V N 5.831 125.346 119.914 -0.666 0.000 2.628 233 V HA 0.562 4.682 4.120 -0.000 0.000 0.306 233 V C -0.101 175.648 176.094 -0.576 0.000 1.045 233 V CA -0.924 61.044 62.300 -0.553 0.000 0.905 233 V CB 1.794 33.355 31.823 -0.437 0.000 0.997 233 V HN 0.758 nan 8.190 nan 0.000 0.436 234 R N 2.241 122.524 120.500 -0.362 0.000 2.628 234 R HA 0.455 4.795 4.340 -0.000 0.000 0.288 234 R C -0.986 175.232 176.300 -0.137 0.000 0.980 234 R CA -0.706 55.261 56.100 -0.223 0.000 0.891 234 R CB 1.815 32.043 30.300 -0.120 0.000 1.188 234 R HN 0.691 nan 8.270 nan 0.000 0.450 235 N N 3.793 122.440 118.700 -0.088 0.000 2.800 235 N HA 0.207 4.947 4.740 -0.000 0.000 0.240 235 N C -2.086 173.419 175.510 -0.009 0.000 1.096 235 N CA -2.210 50.819 53.050 -0.035 0.000 0.877 235 N CB 1.198 39.676 38.487 -0.014 0.000 1.138 235 N HN 0.331 nan 8.380 nan 0.000 0.509 236 P HA 0.057 nan 4.420 nan 0.000 0.249 236 P C 0.236 177.546 177.300 0.018 0.000 1.229 236 P CA 0.107 63.212 63.100 0.008 0.000 0.788 236 P CB 0.379 32.084 31.700 0.009 0.000 1.072 237 T N 1.271 115.841 114.554 0.026 0.000 2.910 237 T HA 0.145 4.495 4.350 -0.000 0.000 0.293 237 T C 0.764 175.482 174.700 0.031 0.000 1.015 237 T CA -0.189 61.931 62.100 0.033 0.000 1.094 237 T CB 0.415 69.312 68.868 0.049 0.000 0.968 237 T HN -0.092 nan 8.240 nan 0.000 0.521 238 Q N 3.473 123.288 119.800 0.025 0.000 2.642 238 Q HA 0.299 4.639 4.340 -0.000 0.000 0.319 238 Q C -0.109 175.900 176.000 0.015 0.000 1.030 238 Q CA 0.275 56.088 55.803 0.016 0.000 0.943 238 Q CB 0.014 28.758 28.738 0.009 0.000 1.323 238 Q HN 0.592 nan 8.270 nan 0.000 0.419 239 Q N -0.356 119.462 119.800 0.030 0.000 2.687 239 Q HA 0.267 4.607 4.340 -0.000 0.000 0.295 239 Q C -1.061 174.982 176.000 0.071 0.000 0.920 239 Q CA -0.742 55.079 55.803 0.030 0.000 0.766 239 Q CB 1.552 30.312 28.738 0.036 0.000 1.467 239 Q HN 0.285 nan 8.270 nan 0.000 0.415 240 N N -0.154 118.586 118.700 0.067 0.000 2.453 240 N HA 0.469 5.209 4.740 -0.000 0.000 0.253 240 N C -1.027 174.687 175.510 0.339 0.000 1.252 240 N CA 0.267 53.416 53.050 0.165 0.000 0.917 240 N CB 0.772 39.197 38.487 -0.103 0.000 1.117 240 N HN 0.511 nan 8.380 nan 0.000 0.442 241 A N 1.336 124.367 122.820 0.352 0.000 2.486 241 A HA 0.686 5.006 4.320 -0.000 0.000 0.300 241 A C -1.090 176.462 177.584 -0.053 0.000 1.048 241 A CA -0.595 51.549 52.037 0.178 0.000 0.696 241 A CB 1.174 20.239 19.000 0.109 0.000 1.278 241 A HN 0.563 nan 8.150 nan 0.000 0.405 242 M N 2.320 121.720 119.600 -0.333 0.000 2.263 242 M HA 0.514 4.994 4.480 -0.000 0.000 0.295 242 M C -1.046 175.132 176.300 -0.203 0.000 1.028 242 M CA -0.818 54.216 55.300 -0.444 0.000 0.921 242 M CB 2.210 34.256 32.600 -0.922 0.000 1.601 242 M HN 0.751 nan 8.290 nan 0.000 0.440 243 V N 1.596 121.431 119.914 -0.131 0.000 2.656 243 V HA 0.681 4.801 4.120 -0.000 0.000 0.307 243 V C -1.002 175.089 176.094 -0.005 0.000 1.051 243 V CA -0.791 61.514 62.300 0.007 0.000 0.893 243 V CB 1.668 33.527 31.823 0.059 0.000 0.999 243 V HN 0.946 nan 8.190 nan 0.000 0.426 244 Q N 3.956 123.795 119.800 0.066 0.000 2.325 244 Q HA 0.784 5.124 4.340 -0.000 0.000 0.262 244 Q C -1.229 174.845 176.000 0.124 0.000 0.968 244 Q CA -0.653 55.179 55.803 0.049 0.000 0.877 244 Q CB 2.120 30.882 28.738 0.039 0.000 1.253 244 Q HN 0.801 nan 8.270 nan 0.000 0.448 245 I N 2.536 123.169 120.570 0.104 0.000 2.377 245 I HA 0.284 4.454 4.170 -0.000 0.000 0.293 245 I C -0.358 175.865 176.117 0.177 0.000 0.987 245 I CA -0.769 60.636 61.300 0.175 0.000 1.185 245 I CB 1.880 39.979 38.000 0.164 0.000 1.341 245 I HN 0.703 nan 8.210 nan 0.000 0.455 246 Q N 5.520 125.433 119.800 0.189 0.000 2.331 246 Q HA 0.414 4.754 4.340 -0.000 0.000 0.267 246 Q C -1.469 174.658 176.000 0.212 0.000 1.006 246 Q CA -0.683 55.236 55.803 0.192 0.000 0.818 246 Q CB 2.299 31.128 28.738 0.151 0.000 1.276 246 Q HN 0.517 nan 8.270 nan 0.000 0.450 247 V N 5.966 126.033 119.914 0.254 0.000 2.313 247 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 247 V C 1.127 177.368 176.094 0.245 0.000 1.112 247 V CA 0.131 62.574 62.300 0.239 0.000 0.984 247 V CB 0.590 32.556 31.823 0.238 0.000 1.157 247 V HN 0.831 nan 8.190 nan 0.000 0.493 248 V N 6.900 126.936 119.914 0.203 0.000 2.343 248 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 248 V C 0.452 176.787 176.094 0.402 0.000 1.051 248 V CA 2.183 64.635 62.300 0.254 0.000 1.036 248 V CB -0.121 31.837 31.823 0.225 0.000 0.654 248 V HN 0.855 nan 8.190 nan 0.000 0.451 249 F N -1.316 118.829 119.950 0.325 0.000 2.746 249 F HA 0.608 5.135 4.527 -0.000 0.000 0.311 249 F C -1.319 174.810 175.800 0.548 0.000 1.135 249 F CA -1.758 56.466 58.000 0.373 0.000 0.954 249 F CB 0.375 39.482 39.000 0.178 0.000 1.276 249 F HN 0.158 nan 8.300 nan 0.000 0.440 250 Y N 2.234 122.782 120.300 0.413 0.000 2.605 250 Y HA 0.891 5.441 4.550 -0.000 0.000 0.343 250 Y C -1.019 175.075 175.900 0.323 0.000 1.036 250 Y CA -3.081 55.210 58.100 0.319 0.000 1.065 250 Y CB 1.329 39.916 38.460 0.211 0.000 1.288 250 Y HN 0.872 nan 8.280 nan 0.000 0.481 251 I N 1.148 121.827 120.570 0.182 0.000 2.498 251 I HA 0.895 5.065 4.170 -0.000 0.000 0.290 251 I C -0.715 175.378 176.117 -0.040 0.000 1.032 251 I CA -0.796 60.514 61.300 0.017 0.000 1.073 251 I CB 2.171 40.273 38.000 0.169 0.000 1.251 251 I HN 0.789 nan 8.210 nan 0.000 0.426 252 S N 4.973 120.597 115.700 -0.128 0.000 2.704 252 S HA 0.563 5.033 4.470 -0.000 0.000 0.296 252 S C 0.091 174.664 174.600 -0.046 0.000 1.138 252 S CA -1.027 57.126 58.200 -0.079 0.000 0.875 252 S CB 2.113 65.250 63.200 -0.105 0.000 1.151 252 S HN 0.766 nan 8.310 nan 0.000 0.500 253 M N 1.407 120.994 119.600 -0.021 0.000 2.654 253 M HA 0.189 4.669 4.480 -0.000 0.000 0.217 253 M C -0.734 175.622 176.300 0.093 0.000 1.183 253 M CA 0.157 55.483 55.300 0.043 0.000 0.991 253 M CB -0.810 31.800 32.600 0.017 0.000 1.749 253 M HN 0.530 nan 8.290 nan 0.000 0.475 254 D N 1.723 122.137 120.400 0.022 0.000 2.255 254 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 254 D C 0.154 176.469 176.300 0.027 0.000 1.078 254 D CA -0.096 53.921 54.000 0.028 0.000 0.896 254 D CB 1.170 41.950 40.800 -0.033 0.000 1.194 254 D HN -0.093 nan 8.370 nan 0.000 0.429 255 K N 1.311 121.739 120.400 0.048 0.000 2.368 255 K HA 0.181 4.501 4.320 -0.000 0.000 0.282 255 K C 0.650 177.259 176.600 0.016 0.000 1.035 255 K CA -0.139 56.168 56.287 0.033 0.000 0.973 255 K CB 0.621 33.143 32.500 0.037 0.000 0.957 255 K HN 0.555 nan 8.250 nan 0.000 0.474 256 T N -1.439 113.115 114.554 -0.001 0.000 2.844 256 T HA 0.328 4.678 4.350 -0.000 0.000 0.274 256 T C 1.019 175.723 174.700 0.007 0.000 0.991 256 T CA -0.815 61.273 62.100 -0.019 0.000 0.983 256 T CB 0.518 69.349 68.868 -0.061 0.000 1.310 256 T HN 0.188 nan 8.240 nan 0.000 0.596 257 L N 0.679 121.901 121.223 -0.001 0.000 2.610 257 L HA 0.315 4.655 4.340 -0.000 0.000 0.232 257 L C 1.336 178.226 176.870 0.033 0.000 1.149 257 L CA 0.953 55.809 54.840 0.026 0.000 0.872 257 L CB -1.260 40.811 42.059 0.019 0.000 0.992 257 L HN 0.635 nan 8.230 nan 0.000 0.447 258 N N -1.504 117.202 118.700 0.010 0.000 2.238 258 N HA -0.013 4.727 4.740 -0.000 0.000 0.222 258 N C 1.480 177.001 175.510 0.018 0.000 1.133 258 N CA -0.115 52.939 53.050 0.007 0.000 0.854 258 N CB 0.330 38.800 38.487 -0.028 0.000 1.041 258 N HN 0.443 nan 8.380 nan 0.000 0.510 259 Q N -0.155 119.673 119.800 0.046 0.000 2.167 259 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 259 Q C -0.206 175.858 176.000 0.107 0.000 0.970 259 Q CA 1.055 56.892 55.803 0.056 0.000 0.855 259 Q CB -0.054 28.717 28.738 0.055 0.000 0.911 259 Q HN 0.426 nan 8.270 nan 0.000 0.438 260 Y N 1.550 121.842 120.300 -0.013 0.000 2.421 260 Y HA 0.374 4.924 4.550 -0.000 0.000 0.339 260 Y C -2.697 173.201 175.900 -0.004 0.000 0.996 260 Y CA -3.179 54.914 58.100 -0.011 0.000 1.046 260 Y CB 1.799 40.254 38.460 -0.008 0.000 1.226 260 Y HN -0.076 nan 8.280 nan 0.000 0.445 261 P HA -0.051 nan 4.420 nan 0.000 0.257 261 P C 0.240 177.566 177.300 0.042 0.000 1.153 261 P CA 1.811 64.804 63.100 -0.177 0.000 0.762 261 P CB 0.277 31.774 31.700 -0.337 0.000 0.743 262 A N 2.803 125.657 122.820 0.056 0.000 2.771 262 A HA -0.245 4.075 4.320 -0.000 0.000 0.294 262 A C 1.427 179.104 177.584 0.156 0.000 1.500 262 A CA 1.020 53.112 52.037 0.092 0.000 0.829 262 A CB -2.375 16.670 19.000 0.075 0.000 0.998 262 A HN 0.643 nan 8.150 nan 0.000 0.526 263 L N -1.075 120.269 121.223 0.201 0.000 2.043 263 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 263 L C 2.668 179.623 176.870 0.142 0.000 1.075 263 L CA 2.625 57.580 54.840 0.192 0.000 0.752 263 L CB -0.497 41.666 42.059 0.175 0.000 0.891 263 L HN 0.740 nan 8.230 nan 0.000 0.432 264 T N -0.152 114.474 114.554 0.121 0.000 2.570 264 T HA -0.312 4.038 4.350 -0.000 0.000 0.266 264 T C 1.887 176.686 174.700 0.166 0.000 1.071 264 T CA 1.594 63.763 62.100 0.115 0.000 1.172 264 T CB -0.717 68.192 68.868 0.069 0.000 0.864 264 T HN 0.554 nan 8.240 nan 0.000 0.421 265 A N 1.920 124.835 122.820 0.158 0.000 1.917 265 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 265 A C 2.358 180.089 177.584 0.244 0.000 1.182 265 A CA 1.734 53.900 52.037 0.216 0.000 0.633 265 A CB -0.553 18.542 19.000 0.159 0.000 0.819 265 A HN 0.458 nan 8.150 nan 0.000 0.448 266 E N 0.015 120.321 120.200 0.178 0.000 2.031 266 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 266 E C 2.037 178.736 176.600 0.165 0.000 0.994 266 E CA 1.397 57.881 56.400 0.139 0.000 0.800 266 E CB -0.597 29.166 29.700 0.105 0.000 0.752 266 E HN 0.745 nan 8.360 nan 0.000 0.447 267 I N 0.887 121.581 120.570 0.206 0.000 2.194 267 I HA -0.297 3.873 4.170 -0.000 0.000 0.246 267 I C 2.446 178.810 176.117 0.413 0.000 1.093 267 I CA 1.246 62.726 61.300 0.300 0.000 1.355 267 I CB -0.407 37.767 38.000 0.289 0.000 1.046 267 I HN -0.002 nan 8.210 nan 0.000 0.413 268 F N 2.189 122.260 119.950 0.202 0.000 2.069 268 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 268 F C 2.363 178.288 175.800 0.208 0.000 1.113 268 F CA 2.070 60.183 58.000 0.189 0.000 1.214 268 F CB -0.953 38.113 39.000 0.111 0.000 0.978 268 F HN 0.134 nan 8.300 nan 0.000 0.474 269 N N 0.393 119.032 118.700 -0.102 0.000 2.149 269 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 269 N C 1.757 177.239 175.510 -0.046 0.000 1.019 269 N CA 2.006 54.931 53.050 -0.208 0.000 0.857 269 N CB -0.024 38.425 38.487 -0.063 0.000 0.997 269 N HN 0.310 nan 8.380 nan 0.000 0.426 270 V N 0.038 119.993 119.914 0.067 0.000 2.283 270 V HA -0.174 3.946 4.120 -0.000 0.000 0.243 270 V C 1.595 177.731 176.094 0.070 0.000 1.039 270 V CA 1.366 63.722 62.300 0.092 0.000 1.016 270 V CB -1.141 30.649 31.823 -0.054 0.000 0.650 270 V HN 0.246 nan 8.190 nan 0.000 0.449 271 Y N 0.926 121.303 120.300 0.129 0.000 2.639 271 Y HA 0.067 4.617 4.550 -0.000 0.000 0.297 271 Y C 1.723 177.774 175.900 0.251 0.000 1.151 271 Y CA 0.114 58.318 58.100 0.174 0.000 1.335 271 Y CB -0.447 38.122 38.460 0.181 0.000 0.994 271 Y HN 0.141 nan 8.280 nan 0.000 0.548 272 S N 0.165 116.004 115.700 0.232 0.000 2.585 272 S HA -0.016 4.454 4.470 -0.000 0.000 0.273 272 S C 0.900 175.774 174.600 0.457 0.000 1.339 272 S CA -0.642 57.670 58.200 0.188 0.000 1.028 272 S CB 0.507 63.573 63.200 -0.224 0.000 0.906 272 S HN 0.326 nan 8.310 nan 0.000 0.528 273 F N 2.662 122.814 119.950 0.337 0.000 2.053 273 F HA 0.008 4.535 4.527 -0.000 0.000 0.292 273 F C 1.873 177.840 175.800 0.279 0.000 1.125 273 F CA 1.697 59.894 58.000 0.328 0.000 1.193 273 F CB -0.131 39.011 39.000 0.236 0.000 0.996 273 F HN 0.743 nan 8.300 nan 0.000 0.470 274 R N -0.364 120.096 120.500 -0.067 0.000 1.619 274 R HA -0.302 4.038 4.340 -0.000 0.000 0.059 274 R C -0.670 175.293 176.300 -0.562 0.000 0.951 274 R CA 1.992 57.940 56.100 -0.255 0.000 1.904 274 R CB -2.159 27.931 30.300 -0.349 0.000 0.286 274 R HN 0.571 nan 8.270 nan 0.000 0.719 275 D N -1.890 117.951 120.400 -0.932 0.000 2.639 275 D HA 0.296 4.936 4.640 -0.000 0.000 0.271 275 D C 0.119 175.825 176.300 -0.990 0.000 1.254 275 D CA -0.489 52.929 54.000 -0.971 0.000 0.810 275 D CB 0.081 40.735 40.800 -0.242 0.000 1.351 275 D HN 0.283 nan 8.370 nan 0.000 0.427 276 H N -0.607 118.246 119.070 -0.362 0.000 2.353 276 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 276 H C 1.480 176.735 175.328 -0.122 0.000 1.103 276 H CA 2.710 58.714 56.048 -0.075 0.000 1.293 276 H CB -0.374 29.413 29.762 0.042 0.000 1.372 276 H HN 0.477 nan 8.280 nan 0.000 0.501 277 T N 0.661 115.197 114.554 -0.029 0.000 2.652 277 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 277 T C 1.802 176.402 174.700 -0.167 0.000 1.039 277 T CA 1.413 63.435 62.100 -0.130 0.000 1.153 277 T CB -0.590 68.186 68.868 -0.154 0.000 0.863 277 T HN 0.586 nan 8.240 nan 0.000 0.428 278 W N 1.629 122.639 121.300 -0.483 0.000 2.353 278 W HA -0.272 4.388 4.660 -0.000 0.000 0.319 278 W C 2.329 178.624 176.519 -0.374 0.000 1.207 278 W CA 1.729 58.662 57.345 -0.688 0.000 1.291 278 W CB -0.754 28.063 29.460 -1.071 0.000 1.159 278 W HN 0.410 nan 8.180 nan 0.000 0.478 279 H N -0.261 118.418 119.070 -0.651 0.000 2.261 279 H HA -0.209 4.347 4.556 -0.000 0.000 0.290 279 H C 2.473 177.516 175.328 -0.475 0.000 1.081 279 H CA 3.548 59.255 56.048 -0.567 0.000 1.196 279 H CB -0.951 28.669 29.762 -0.236 0.000 1.350 279 H HN 0.175 nan 8.280 nan 0.000 0.498 280 G N 0.897 109.603 108.800 -0.157 0.000 2.475 280 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 280 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 280 G C 1.834 176.586 174.900 -0.246 0.000 1.125 280 G CA 0.853 45.865 45.100 -0.146 0.000 0.755 280 G HN 0.430 nan 8.290 nan 0.000 0.565 281 L N 0.104 121.140 121.223 -0.312 0.000 1.973 281 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 281 L C 2.913 179.518 176.870 -0.441 0.000 1.073 281 L CA 1.777 56.457 54.840 -0.267 0.000 0.746 281 L CB -0.498 41.470 42.059 -0.152 0.000 0.891 281 L HN 0.226 nan 8.230 nan 0.000 0.433 282 R N -0.462 119.518 120.500 -0.866 0.000 2.133 282 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 282 R C 1.898 177.864 176.300 -0.556 0.000 1.151 282 R CA 2.338 57.894 56.100 -0.906 0.000 0.971 282 R CB -0.565 28.873 30.300 -1.436 0.000 0.866 282 R HN 0.450 nan 8.270 nan 0.000 0.447 283 T N 0.806 115.046 114.554 -0.524 0.000 2.639 283 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 283 T C 1.904 176.474 174.700 -0.216 0.000 1.053 283 T CA 1.677 63.566 62.100 -0.352 0.000 1.158 283 T CB -0.569 68.097 68.868 -0.335 0.000 0.863 283 T HN 0.453 nan 8.240 nan 0.000 0.413 284 A N 0.916 123.630 122.820 -0.176 0.000 2.042 284 A HA -0.129 4.191 4.320 -0.000 0.000 0.222 284 A C 2.267 179.801 177.584 -0.084 0.000 1.167 284 A CA 1.459 53.439 52.037 -0.095 0.000 0.649 284 A CB -0.998 17.968 19.000 -0.058 0.000 0.809 284 A HN 0.581 nan 8.150 nan 0.000 0.457 285 I N -1.531 118.962 120.570 -0.129 0.000 2.235 285 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 285 I C 2.567 178.628 176.117 -0.093 0.000 1.085 285 I CA 1.218 62.456 61.300 -0.102 0.000 1.378 285 I CB -0.348 37.572 38.000 -0.134 0.000 1.076 285 I HN 0.227 nan 8.210 nan 0.000 0.415 286 R N 0.916 121.339 120.500 -0.129 0.000 2.285 286 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 286 R C 1.842 178.110 176.300 -0.053 0.000 1.068 286 R CA 0.677 56.720 56.100 -0.096 0.000 1.004 286 R CB -0.384 29.840 30.300 -0.127 0.000 0.873 286 R HN 0.377 nan 8.270 nan 0.000 0.467 287 N N 0.750 119.418 118.700 -0.053 0.000 2.223 287 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 287 N C 1.319 176.821 175.510 -0.014 0.000 1.016 287 N CA 1.119 54.153 53.050 -0.027 0.000 0.863 287 N CB -0.029 38.443 38.487 -0.025 0.000 0.983 287 N HN 0.019 nan 8.380 nan 0.000 0.429 288 R N 0.098 120.587 120.500 -0.018 0.000 2.307 288 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 288 R C 0.686 176.981 176.300 -0.007 0.000 1.000 288 R CA 0.315 56.409 56.100 -0.009 0.000 1.023 288 R CB -0.546 29.749 30.300 -0.009 0.000 0.908 288 R HN 0.381 nan 8.270 nan 0.000 0.473 289 T N -4.428 110.120 114.554 -0.010 0.000 2.937 289 T HA 0.218 4.567 4.350 -0.000 0.000 0.283 289 T C 1.146 175.853 174.700 0.011 0.000 1.012 289 T CA -0.308 61.790 62.100 -0.003 0.000 0.997 289 T CB 1.607 70.469 68.868 -0.010 0.000 1.136 289 T HN 0.116 nan 8.240 nan 0.000 0.551 290 T N -0.876 113.689 114.554 0.019 0.000 3.148 290 T HA 0.236 4.586 4.350 -0.000 0.000 0.253 290 T C 0.406 175.136 174.700 0.050 0.000 1.134 290 T CA -0.266 61.855 62.100 0.034 0.000 1.051 290 T CB -0.448 68.442 68.868 0.036 0.000 0.959 290 T HN 0.264 nan 8.240 nan 0.000 0.525 291 L N 2.865 124.116 121.223 0.048 0.000 2.357 291 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 291 L C -2.159 174.767 176.870 0.092 0.000 1.080 291 L CA -2.905 51.983 54.840 0.080 0.000 0.803 291 L CB 0.682 42.784 42.059 0.071 0.000 1.174 291 L HN -0.015 nan 8.230 nan 0.000 0.443 292 P HA 0.051 nan 4.420 nan 0.000 0.265 292 P C 0.106 177.523 177.300 0.194 0.000 1.222 292 P CA -0.221 62.975 63.100 0.160 0.000 0.767 292 P CB 0.256 32.053 31.700 0.161 0.000 0.801 293 N N 4.495 123.248 118.700 0.089 0.000 2.417 293 N HA -0.203 4.537 4.740 -0.000 0.000 0.187 293 N C 0.989 176.507 175.510 0.012 0.000 1.027 293 N CA 1.693 54.747 53.050 0.007 0.000 0.891 293 N CB -0.710 37.760 38.487 -0.029 0.000 0.956 293 N HN 0.586 nan 8.380 nan 0.000 0.442 294 M N -3.532 116.199 119.600 0.218 0.000 2.622 294 M HA 0.358 4.838 4.480 -0.000 0.000 0.456 294 M C -1.087 175.543 176.300 0.551 0.000 1.168 294 M CA -0.249 55.254 55.300 0.339 0.000 0.930 294 M CB 0.680 33.362 32.600 0.137 0.000 1.919 294 M HN -0.165 nan 8.290 nan 0.000 0.640 295 L N 2.594 124.030 121.223 0.354 0.000 2.441 295 L HA 0.629 4.969 4.340 -0.000 0.000 0.270 295 L C -2.533 174.026 176.870 -0.518 0.000 0.973 295 L CA -1.654 53.138 54.840 -0.079 0.000 0.842 295 L CB 2.399 44.457 42.059 -0.001 0.000 1.239 295 L HN -0.173 nan 8.230 nan 0.000 0.406 296 P HA -0.086 nan 4.420 nan 0.000 0.257 296 P C -2.242 174.856 177.300 -0.338 0.000 1.144 296 P CA -0.335 62.225 63.100 -0.899 0.000 0.761 296 P CB -0.289 31.097 31.700 -0.523 0.000 0.734 297 P HA 0.004 nan 4.420 nan 0.000 0.265 297 P C 0.640 177.880 177.300 -0.101 0.000 1.193 297 P CA 0.112 63.182 63.100 -0.051 0.000 0.765 297 P CB 0.663 32.401 31.700 0.064 0.000 0.823 298 I N 2.270 122.717 120.570 -0.206 0.000 2.163 298 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 298 I C 1.149 177.039 176.117 -0.378 0.000 1.085 298 I CA 1.548 62.608 61.300 -0.401 0.000 1.347 298 I CB -0.877 36.666 38.000 -0.762 0.000 1.044 298 I HN 0.189 nan 8.210 nan 0.000 0.408 299 F N 2.513 122.511 119.950 0.079 0.000 2.415 299 F HA 0.411 4.938 4.527 -0.000 0.000 0.348 299 F C -1.985 173.849 175.800 0.057 0.000 1.119 299 F CA -3.645 54.402 58.000 0.079 0.000 1.069 299 F CB -0.178 38.867 39.000 0.075 0.000 1.124 299 F HN -0.159 nan 8.300 nan 0.000 0.472 300 P HA 0.125 nan 4.420 nan 0.000 0.267 300 P C -2.548 174.828 177.300 0.127 0.000 1.209 300 P CA -0.833 62.349 63.100 0.138 0.000 0.763 300 P CB 0.244 32.004 31.700 0.099 0.000 0.816 301 P HA 0.026 nan 4.420 nan 0.000 0.272 301 P C 0.738 178.067 177.300 0.048 0.000 1.248 301 P CA 0.153 63.298 63.100 0.074 0.000 0.799 301 P CB 0.326 32.060 31.700 0.056 0.000 0.997 302 N N -0.924 117.793 118.700 0.030 0.000 2.082 302 N HA 0.013 4.753 4.740 -0.000 0.000 0.228 302 N C -1.002 174.492 175.510 -0.027 0.000 1.341 302 N CA -0.085 52.969 53.050 0.006 0.000 0.873 302 N CB 0.306 38.810 38.487 0.028 0.000 1.137 302 N HN 0.385 nan 8.380 nan 0.000 0.505 303 D N 0.549 120.938 120.400 -0.019 0.000 2.185 303 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 303 D C 0.895 177.168 176.300 -0.044 0.000 1.027 303 D CA -0.612 53.367 54.000 -0.035 0.000 0.861 303 D CB 2.904 43.694 40.800 -0.017 0.000 1.202 303 D HN -0.099 nan 8.370 nan 0.000 0.453 304 R N 1.524 121.989 120.500 -0.059 0.000 2.143 304 R HA -0.246 4.094 4.340 -0.000 0.000 0.239 304 R C 0.898 177.164 176.300 -0.057 0.000 1.126 304 R CA 2.400 58.462 56.100 -0.063 0.000 0.927 304 R CB -0.356 29.907 30.300 -0.062 0.000 0.860 304 R HN 0.498 nan 8.270 nan 0.000 0.433 305 D N -0.000 120.373 120.400 -0.044 0.000 2.191 305 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 305 D C 1.988 178.266 176.300 -0.036 0.000 1.007 305 D CA 1.912 55.891 54.000 -0.037 0.000 0.865 305 D CB -0.539 40.247 40.800 -0.024 0.000 0.929 305 D HN 0.267 nan 8.370 nan 0.000 0.447 306 S N 0.351 116.034 115.700 -0.028 0.000 2.349 306 S HA -0.121 4.349 4.470 -0.000 0.000 0.216 306 S C 2.109 176.685 174.600 -0.040 0.000 1.033 306 S CA 0.625 58.814 58.200 -0.019 0.000 1.021 306 S CB -0.204 62.998 63.200 0.002 0.000 0.968 306 S HN 0.172 nan 8.310 nan 0.000 0.426 307 I N 1.991 122.527 120.570 -0.057 0.000 2.091 307 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 307 I C 2.344 178.374 176.117 -0.145 0.000 1.046 307 I CA 1.417 62.652 61.300 -0.109 0.000 1.306 307 I CB -1.710 36.208 38.000 -0.137 0.000 1.018 307 I HN 0.288 nan 8.210 nan 0.000 0.404 308 L N 0.417 121.564 121.223 -0.127 0.000 1.963 308 L HA -0.329 4.011 4.340 -0.000 0.000 0.220 308 L C 2.704 179.520 176.870 -0.090 0.000 1.076 308 L CA 2.644 57.414 54.840 -0.117 0.000 0.772 308 L CB -0.647 41.362 42.059 -0.083 0.000 0.892 308 L HN 0.307 nan 8.230 nan 0.000 0.435 309 T N 0.545 115.061 114.554 -0.065 0.000 2.649 309 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 309 T C 1.820 176.490 174.700 -0.050 0.000 1.036 309 T CA 2.040 64.110 62.100 -0.050 0.000 1.157 309 T CB -0.459 68.384 68.868 -0.041 0.000 0.861 309 T HN 0.248 nan 8.240 nan 0.000 0.445 310 L N 0.029 121.218 121.223 -0.056 0.000 1.994 310 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 310 L C 2.571 179.415 176.870 -0.044 0.000 1.071 310 L CA 1.270 56.082 54.840 -0.045 0.000 0.745 310 L CB -0.645 41.395 42.059 -0.032 0.000 0.892 310 L HN 0.228 nan 8.230 nan 0.000 0.431 311 L N -0.968 120.202 121.223 -0.088 0.000 1.990 311 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 311 L C 2.551 179.397 176.870 -0.039 0.000 1.072 311 L CA 1.114 55.901 54.840 -0.088 0.000 0.755 311 L CB -0.552 41.406 42.059 -0.168 0.000 0.889 311 L HN 0.221 nan 8.230 nan 0.000 0.432 312 L N -0.804 120.395 121.223 -0.040 0.000 2.012 312 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 312 L C 2.361 179.237 176.870 0.011 0.000 1.073 312 L CA 1.681 56.509 54.840 -0.020 0.000 0.748 312 L CB -0.830 41.213 42.059 -0.027 0.000 0.891 312 L HN 0.171 nan 8.230 nan 0.000 0.431 313 L N -1.544 119.692 121.223 0.022 0.000 2.017 313 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 313 L C 2.744 179.692 176.870 0.130 0.000 1.073 313 L CA 1.575 56.470 54.840 0.091 0.000 0.745 313 L CB -0.410 41.676 42.059 0.046 0.000 0.894 313 L HN 0.342 nan 8.230 nan 0.000 0.432 314 S N -1.007 114.732 115.700 0.066 0.000 2.374 314 S HA -0.229 4.241 4.470 -0.000 0.000 0.227 314 S C 1.878 176.482 174.600 0.007 0.000 1.037 314 S CA 2.223 60.448 58.200 0.042 0.000 1.024 314 S CB -0.229 62.989 63.200 0.031 0.000 0.861 314 S HN 0.505 nan 8.310 nan 0.000 0.456 315 T N 2.361 116.923 114.554 0.013 0.000 2.770 315 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 315 T C 1.690 176.393 174.700 0.005 0.000 1.039 315 T CA 1.261 63.362 62.100 0.002 0.000 1.142 315 T CB -0.553 68.317 68.868 0.003 0.000 0.868 315 T HN 0.333 nan 8.240 nan 0.000 0.435 316 L N 1.437 122.682 121.223 0.038 0.000 2.261 316 L HA 0.054 4.394 4.340 -0.000 0.000 0.216 316 L C 2.428 179.355 176.870 0.096 0.000 1.114 316 L CA 1.371 56.262 54.840 0.085 0.000 0.777 316 L CB -0.920 41.209 42.059 0.117 0.000 0.910 316 L HN 0.229 nan 8.230 nan 0.000 0.440 317 A N -0.808 121.955 122.820 -0.094 0.000 1.855 317 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 317 A C 2.001 179.364 177.584 -0.368 0.000 1.191 317 A CA 1.669 53.335 52.037 -0.619 0.000 0.613 317 A CB -0.737 17.952 19.000 -0.518 0.000 0.829 317 A HN 0.516 nan 8.150 nan 0.000 0.442 318 D N 0.010 120.303 120.400 -0.178 0.000 2.149 318 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 318 D C 2.096 178.367 176.300 -0.049 0.000 0.990 318 D CA 1.533 55.467 54.000 -0.110 0.000 0.839 318 D CB -0.428 40.334 40.800 -0.062 0.000 0.948 318 D HN 0.231 nan 8.370 nan 0.000 0.460 319 V N 0.929 120.853 119.914 0.017 0.000 2.287 319 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 319 V C 2.263 178.424 176.094 0.111 0.000 1.053 319 V CA 1.531 63.884 62.300 0.088 0.000 1.027 319 V CB -0.784 31.131 31.823 0.155 0.000 0.646 319 V HN 0.148 nan 8.190 nan 0.000 0.447 320 Y N 1.713 122.027 120.300 0.023 0.000 2.081 320 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 320 Y C 2.695 178.432 175.900 -0.270 0.000 1.163 320 Y CA 2.504 60.463 58.100 -0.234 0.000 1.135 320 Y CB -0.783 37.437 38.460 -0.400 0.000 0.970 320 Y HN 0.294 nan 8.280 nan 0.000 0.498 321 T N 0.158 114.685 114.554 -0.045 0.000 2.635 321 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 321 T C 2.041 176.662 174.700 -0.131 0.000 1.040 321 T CA 2.650 64.698 62.100 -0.087 0.000 1.156 321 T CB -1.212 67.597 68.868 -0.098 0.000 0.863 321 T HN 0.449 nan 8.240 nan 0.000 0.430 322 V N 0.330 120.180 119.914 -0.107 0.000 2.427 322 V HA 0.019 4.139 4.120 -0.000 0.000 0.248 322 V C 2.301 178.318 176.094 -0.129 0.000 1.051 322 V CA 1.385 63.628 62.300 -0.096 0.000 1.048 322 V CB -1.103 30.683 31.823 -0.061 0.000 0.666 322 V HN 0.447 nan 8.190 nan 0.000 0.456 323 L N -0.516 120.607 121.223 -0.166 0.000 2.240 323 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 323 L C 1.375 178.071 176.870 -0.290 0.000 1.106 323 L CA 0.625 55.346 54.840 -0.198 0.000 0.793 323 L CB -0.402 41.560 42.059 -0.160 0.000 0.927 323 L HN 0.377 nan 8.230 nan 0.000 0.446 324 R N -1.556 118.696 120.500 -0.414 0.000 3.422 324 R HA -0.124 4.216 4.340 -0.000 0.000 0.267 324 R C -2.240 173.784 176.300 -0.460 0.000 1.074 324 R CA 0.158 55.999 56.100 -0.432 0.000 0.718 324 R CB -2.465 27.695 30.300 -0.234 0.000 1.157 324 R HN 0.337 nan 8.270 nan 0.000 0.440 325 P HA 0.115 nan 4.420 nan 0.000 0.269 325 P C -0.370 176.819 177.300 -0.184 0.000 1.209 325 P CA 0.418 63.274 63.100 -0.407 0.000 0.776 325 P CB 0.763 32.119 31.700 -0.574 0.000 0.876 326 E N 1.869 122.103 120.200 0.056 0.000 2.255 326 E HA 0.478 4.828 4.350 -0.000 0.000 0.256 326 E C -0.933 175.849 176.600 0.304 0.000 0.887 326 E CA -0.434 56.013 56.400 0.077 0.000 0.782 326 E CB 0.922 30.625 29.700 0.007 0.000 1.214 326 E HN 0.419 nan 8.360 nan 0.000 0.417 327 F N 0.394 120.381 119.950 0.062 0.000 2.741 327 F HA 0.765 5.292 4.527 -0.000 0.000 0.311 327 F C -0.846 175.015 175.800 0.102 0.000 1.149 327 F CA -1.406 56.670 58.000 0.126 0.000 0.930 327 F CB 0.299 39.462 39.000 0.273 0.000 1.312 327 F HN 0.330 nan 8.300 nan 0.000 0.450 328 A N 1.706 124.636 122.820 0.183 0.000 2.280 328 A HA 0.820 5.140 4.320 -0.000 0.000 0.268 328 A C -0.706 176.891 177.584 0.022 0.000 1.111 328 A CA -0.503 51.563 52.037 0.048 0.000 0.814 328 A CB 0.754 19.797 19.000 0.071 0.000 1.093 328 A HN 0.959 nan 8.150 nan 0.000 0.498 329 M N 0.359 119.927 119.600 -0.054 0.000 2.333 329 M HA 0.225 4.705 4.480 -0.000 0.000 0.286 329 M C -1.520 174.744 176.300 -0.060 0.000 1.113 329 M CA -0.432 54.810 55.300 -0.096 0.000 0.959 329 M CB 1.609 34.175 32.600 -0.057 0.000 1.776 329 M HN 0.856 nan 8.290 nan 0.000 0.492 330 H N 2.322 121.425 119.070 0.055 0.000 3.091 330 H HA 0.256 4.812 4.556 -0.000 0.000 0.289 330 H C 1.188 176.529 175.328 0.022 0.000 0.995 330 H CA 1.656 57.725 56.048 0.035 0.000 1.461 330 H CB 0.165 29.947 29.762 0.034 0.000 1.510 330 H HN 0.971 nan 8.280 nan 0.000 0.546 331 G N 2.557 111.440 108.800 0.139 0.000 2.157 331 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 331 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 331 G C -0.148 174.780 174.900 0.047 0.000 0.979 331 G CA 0.143 45.288 45.100 0.075 0.000 0.650 331 G HN 0.564 nan 8.290 nan 0.000 0.529 332 V N 1.140 121.076 119.914 0.037 0.000 2.448 332 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 332 V C -0.107 175.976 176.094 -0.019 0.000 1.025 332 V CA -0.998 61.309 62.300 0.012 0.000 0.859 332 V CB 1.833 33.657 31.823 0.002 0.000 0.988 332 V HN 0.309 nan 8.190 nan 0.000 0.431 333 N N 4.929 123.594 118.700 -0.059 0.000 2.524 333 N HA 0.443 5.183 4.740 -0.000 0.000 0.261 333 N C -2.760 172.616 175.510 -0.223 0.000 0.998 333 N CA -1.124 51.868 53.050 -0.098 0.000 0.915 333 N CB 2.634 41.075 38.487 -0.075 0.000 1.187 333 N HN 0.425 nan 8.380 nan 0.000 0.507 334 P HA 0.208 nan 4.420 nan 0.000 0.271 334 P C -0.485 176.693 177.300 -0.203 0.000 1.216 334 P CA 0.163 63.126 63.100 -0.229 0.000 0.771 334 P CB 0.710 32.369 31.700 -0.068 0.000 0.864 335 M N 5.316 124.778 119.600 -0.230 0.000 2.047 335 M HA 0.207 4.687 4.480 -0.000 0.000 0.342 335 M C -1.207 175.120 176.300 0.044 0.000 1.058 335 M CA -1.673 53.586 55.300 -0.068 0.000 0.991 335 M CB 1.860 34.437 32.600 -0.039 0.000 1.474 335 M HN 0.271 nan 8.290 nan 0.000 0.419 336 P HA -0.106 nan 4.420 nan 0.000 0.218 336 P C 0.738 178.068 177.300 0.050 0.000 1.146 336 P CA 0.684 63.806 63.100 0.038 0.000 0.813 336 P CB -0.084 31.626 31.700 0.018 0.000 0.778 337 G N 1.989 110.820 108.800 0.052 0.000 2.287 337 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.235 337 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.235 337 G C -1.372 173.568 174.900 0.067 0.000 1.258 337 G CA -0.518 44.614 45.100 0.053 0.000 0.884 337 G HN 0.129 nan 8.290 nan 0.000 0.518 338 P HA -0.146 nan 4.420 nan 0.000 0.220 338 P C 0.387 177.729 177.300 0.069 0.000 1.146 338 P CA 0.774 63.906 63.100 0.052 0.000 0.816 338 P CB -0.144 31.580 31.700 0.039 0.000 0.764 339 L N -1.768 119.507 121.223 0.088 0.000 1.827 339 L HA -0.137 4.203 4.340 -0.000 0.000 0.479 339 L C 0.374 177.293 176.870 0.082 0.000 1.002 339 L CA 1.091 55.998 54.840 0.111 0.000 1.221 339 L CB -1.964 40.183 42.059 0.148 0.000 1.417 339 L HN 0.131 nan 8.230 nan 0.000 0.749 340 T N -0.203 114.389 114.554 0.064 0.000 2.887 340 T HA 0.846 5.196 4.350 -0.000 0.000 0.292 340 T C 1.029 175.742 174.700 0.021 0.000 1.087 340 T CA -0.351 61.774 62.100 0.042 0.000 1.009 340 T CB 1.880 70.764 68.868 0.027 0.000 1.203 340 T HN 1.030 nan 8.240 nan 0.000 0.518 341 A N 0.608 123.439 122.820 0.019 0.000 1.986 341 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 341 A C 2.459 180.022 177.584 -0.034 0.000 1.171 341 A CA 2.243 54.281 52.037 0.002 0.000 0.640 341 A CB -1.500 17.505 19.000 0.009 0.000 0.811 341 A HN 1.291 nan 8.150 nan 0.000 0.451 342 A N 0.249 123.054 122.820 -0.025 0.000 1.841 342 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 342 A C 2.061 179.608 177.584 -0.061 0.000 1.195 342 A CA 1.474 53.491 52.037 -0.033 0.000 0.611 342 A CB -0.669 18.323 19.000 -0.014 0.000 0.835 342 A HN 0.507 nan 8.150 nan 0.000 0.443 343 I N -0.028 120.510 120.570 -0.054 0.000 2.335 343 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 343 I C 2.830 178.790 176.117 -0.262 0.000 1.129 343 I CA 0.992 62.249 61.300 -0.071 0.000 1.402 343 I CB -0.409 37.602 38.000 0.019 0.000 1.069 343 I HN 0.373 nan 8.210 nan 0.000 0.424 344 A N 1.159 123.764 122.820 -0.358 0.000 1.854 344 A HA -0.210 4.110 4.320 -0.000 0.000 0.214 344 A C 2.371 179.733 177.584 -0.371 0.000 1.192 344 A CA 1.639 53.233 52.037 -0.739 0.000 0.611 344 A CB -0.550 18.198 19.000 -0.419 0.000 0.832 344 A HN 0.294 nan 8.150 nan 0.000 0.442 345 R N 0.397 120.805 120.500 -0.154 0.000 2.113 345 R HA -0.188 4.152 4.340 -0.000 0.000 0.244 345 R C 2.097 178.388 176.300 -0.015 0.000 1.142 345 R CA 2.362 58.429 56.100 -0.055 0.000 0.953 345 R CB -0.915 29.350 30.300 -0.058 0.000 0.860 345 R HN 0.416 nan 8.270 nan 0.000 0.438 346 A N 0.213 122.987 122.820 -0.077 0.000 1.908 346 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 346 A C 2.433 179.969 177.584 -0.081 0.000 1.181 346 A CA 2.017 54.020 52.037 -0.057 0.000 0.627 346 A CB -1.232 17.737 19.000 -0.052 0.000 0.818 346 A HN 0.566 nan 8.150 nan 0.000 0.445 347 A N -1.616 121.061 122.820 -0.239 0.000 2.024 347 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 347 A C 1.253 178.637 177.584 -0.333 0.000 1.164 347 A CA 1.061 52.865 52.037 -0.389 0.000 0.643 347 A CB -0.765 17.700 19.000 -0.892 0.000 0.806 347 A HN 0.572 nan 8.150 nan 0.000 0.451 348 Y N 0.493 120.704 120.300 -0.149 0.000 3.040 348 Y HA 0.342 4.892 4.550 -0.000 0.000 0.392 348 Y C 0.863 176.788 175.900 0.042 0.000 1.105 348 Y CA -0.027 58.094 58.100 0.036 0.000 1.950 348 Y CB -1.239 37.247 38.460 0.043 0.000 2.014 348 Y HN 0.081 nan 8.280 nan 0.000 0.433 349 V N 0.000 119.979 119.914 0.108 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.348 62.300 0.080 0.000 1.235 349 V CB 0.000 31.874 31.823 0.085 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556