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 1bvp_1_3 DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAVT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVHNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAILNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAIH GVNPMPGPLT RAIARAAYV 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 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.028 0.000 1.302 2 D N 0.023 120.375 120.400 -0.080 0.000 2.149 2 D HA -0.017 4.623 4.640 -0.000 0.000 0.201 2 D C 1.613 177.798 176.300 -0.192 0.000 0.972 2 D CA 2.244 56.173 54.000 -0.118 0.000 0.835 2 D CB -0.013 40.719 40.800 -0.112 0.000 0.966 2 D HN 0.654 nan 8.370 nan 0.000 0.476 3 T N -0.468 113.971 114.554 -0.193 0.000 2.788 3 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 3 T C 2.275 176.884 174.700 -0.151 0.000 1.044 3 T CA 0.567 62.506 62.100 -0.270 0.000 1.139 3 T CB -0.414 68.403 68.868 -0.087 0.000 0.867 3 T HN 0.144 nan 8.240 nan 0.000 0.454 4 I N 2.044 122.570 120.570 -0.074 0.000 2.163 4 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 4 I C 3.210 179.297 176.117 -0.051 0.000 1.085 4 I CA 1.479 62.759 61.300 -0.033 0.000 1.347 4 I CB -0.798 37.191 38.000 -0.019 0.000 1.044 4 I HN 0.331 nan 8.210 nan 0.000 0.408 5 A N 0.853 123.625 122.820 -0.080 0.000 1.898 5 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 5 A C 2.581 180.110 177.584 -0.092 0.000 1.181 5 A CA 1.735 53.725 52.037 -0.077 0.000 0.620 5 A CB -0.781 18.169 19.000 -0.083 0.000 0.819 5 A HN 0.438 nan 8.150 nan 0.000 0.442 6 A N -0.121 122.595 122.820 -0.173 0.000 1.940 6 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 6 A C 2.256 179.815 177.584 -0.043 0.000 1.176 6 A CA 1.687 53.598 52.037 -0.210 0.000 0.631 6 A CB -0.456 18.173 19.000 -0.618 0.000 0.814 6 A HN 0.576 nan 8.150 nan 0.000 0.446 7 R N -0.704 119.794 120.500 -0.003 0.000 2.066 7 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 7 R C 2.569 178.892 176.300 0.040 0.000 1.131 7 R CA 1.153 57.306 56.100 0.089 0.000 0.955 7 R CB -0.502 29.861 30.300 0.105 0.000 0.851 7 R HN 0.497 nan 8.270 nan 0.000 0.432 8 A N 1.319 124.142 122.820 0.006 0.000 1.883 8 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 8 A C 2.089 179.665 177.584 -0.013 0.000 1.186 8 A CA 1.210 53.240 52.037 -0.012 0.000 0.624 8 A CB -0.547 18.441 19.000 -0.021 0.000 0.822 8 A HN 0.186 nan 8.150 nan 0.000 0.444 9 L N -0.297 120.920 121.223 -0.009 0.000 2.017 9 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 9 L C 2.652 179.531 176.870 0.016 0.000 1.073 9 L CA 2.677 57.517 54.840 -0.001 0.000 0.745 9 L CB -1.053 41.004 42.059 -0.005 0.000 0.894 9 L HN 0.414 nan 8.230 nan 0.000 0.432 10 T N -1.335 113.242 114.554 0.039 0.000 2.684 10 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 10 T C 1.952 176.668 174.700 0.027 0.000 1.036 10 T CA 1.759 63.892 62.100 0.055 0.000 1.148 10 T CB -0.377 68.553 68.868 0.102 0.000 0.863 10 T HN 0.177 nan 8.240 nan 0.000 0.436 11 V N 1.574 121.496 119.914 0.013 0.000 2.343 11 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 11 V C 2.488 178.565 176.094 -0.029 0.000 1.051 11 V CA 1.668 63.960 62.300 -0.014 0.000 1.036 11 V CB -0.641 31.160 31.823 -0.036 0.000 0.654 11 V HN 0.500 nan 8.190 nan 0.000 0.451 12 M N -0.573 119.009 119.600 -0.029 0.000 2.132 12 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 12 M C 2.428 178.722 176.300 -0.010 0.000 1.065 12 M CA 1.763 57.045 55.300 -0.029 0.000 1.122 12 M CB -0.523 32.061 32.600 -0.027 0.000 1.365 12 M HN 0.223 nan 8.290 nan 0.000 0.411 13 R N 0.346 120.846 120.500 0.000 0.000 2.115 13 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 13 R C 2.355 178.656 176.300 0.002 0.000 1.111 13 R CA 1.249 57.352 56.100 0.006 0.000 0.976 13 R CB -0.496 29.813 30.300 0.015 0.000 0.870 13 R HN 0.365 nan 8.270 nan 0.000 0.445 14 A N 0.730 123.549 122.820 -0.001 0.000 1.898 14 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 14 A C 2.303 179.881 177.584 -0.011 0.000 1.181 14 A CA 1.180 53.214 52.037 -0.005 0.000 0.620 14 A CB -0.686 18.311 19.000 -0.006 0.000 0.819 14 A HN 0.423 nan 8.150 nan 0.000 0.442 15 C N -0.714 118.576 119.300 -0.017 0.000 2.419 15 C HA 0.107 4.567 4.460 -0.000 0.000 0.281 15 C C 3.054 178.037 174.990 -0.011 0.000 1.336 15 C CA 0.558 59.565 59.018 -0.019 0.000 1.770 15 C CB -1.358 26.366 27.740 -0.028 0.000 1.929 15 C HN 0.678 nan 8.230 nan 0.000 0.509 16 A N -0.369 122.448 122.820 -0.005 0.000 2.209 16 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 16 A C 2.075 179.653 177.584 -0.011 0.000 1.158 16 A CA 1.702 53.736 52.037 -0.005 0.000 0.742 16 A CB -0.618 18.381 19.000 -0.002 0.000 0.790 16 A HN 0.547 nan 8.150 nan 0.000 0.472 17 T N 0.034 114.582 114.554 -0.010 0.000 3.014 17 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 17 T C 0.607 175.298 174.700 -0.015 0.000 1.078 17 T CA 0.372 62.465 62.100 -0.011 0.000 1.135 17 T CB -0.239 68.624 68.868 -0.008 0.000 0.895 17 T HN 0.180 nan 8.240 nan 0.000 0.480 18 L N 2.967 124.180 121.223 -0.017 0.000 2.869 18 L HA 0.179 4.519 4.340 -0.000 0.000 0.240 18 L C 1.616 178.470 176.870 -0.026 0.000 1.448 18 L CA 0.581 55.408 54.840 -0.021 0.000 1.158 18 L CB -1.253 40.792 42.059 -0.023 0.000 1.497 18 L HN 0.208 nan 8.230 nan 0.000 0.447 19 Q N 0.194 119.980 119.800 -0.024 0.000 2.124 19 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 19 Q C 1.001 176.984 176.000 -0.029 0.000 0.977 19 Q CA 1.429 57.215 55.803 -0.028 0.000 0.850 19 Q CB 0.447 29.172 28.738 -0.023 0.000 0.901 19 Q HN 0.666 nan 8.270 nan 0.000 0.429 20 E N -3.017 117.168 120.200 -0.024 0.000 2.450 20 E HA 0.457 4.807 4.350 -0.000 0.000 0.272 20 E C -0.302 176.285 176.600 -0.021 0.000 0.967 20 E CA 0.153 56.538 56.400 -0.023 0.000 0.818 20 E CB 0.993 30.681 29.700 -0.020 0.000 1.401 20 E HN 0.006 nan 8.360 nan 0.000 0.450 21 A N 1.234 124.043 122.820 -0.020 0.000 1.854 21 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 21 A C 1.891 179.467 177.584 -0.014 0.000 1.192 21 A CA 1.723 53.750 52.037 -0.017 0.000 0.611 21 A CB -0.475 18.515 19.000 -0.016 0.000 0.832 21 A HN 0.608 nan 8.150 nan 0.000 0.442 22 R N -0.032 120.461 120.500 -0.012 0.000 2.317 22 R HA 0.246 4.586 4.340 -0.000 0.000 0.208 22 R C 0.321 176.616 176.300 -0.010 0.000 0.914 22 R CA 0.010 56.103 56.100 -0.010 0.000 1.060 22 R CB -0.927 29.368 30.300 -0.009 0.000 1.015 22 R HN 0.490 nan 8.270 nan 0.000 0.498 23 I N 0.282 120.846 120.570 -0.011 0.000 3.045 23 I HA 0.018 4.188 4.170 -0.000 0.000 0.288 23 I C 0.439 176.550 176.117 -0.009 0.000 1.238 23 I CA -1.082 60.212 61.300 -0.010 0.000 1.396 23 I CB 0.360 38.354 38.000 -0.011 0.000 1.355 23 I HN -0.074 nan 8.210 nan 0.000 0.601 24 V N 4.379 124.288 119.914 -0.008 0.000 2.394 24 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 24 V C -0.126 175.964 176.094 -0.007 0.000 1.031 24 V CA -0.838 61.458 62.300 -0.007 0.000 0.881 24 V CB 1.182 33.001 31.823 -0.006 0.000 0.982 24 V HN 0.678 nan 8.190 nan 0.000 0.451 25 L N 3.756 124.975 121.223 -0.007 0.000 2.417 25 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 25 L C 0.764 177.630 176.870 -0.006 0.000 1.158 25 L CA 0.417 55.253 54.840 -0.007 0.000 0.819 25 L CB 0.712 42.766 42.059 -0.008 0.000 1.112 25 L HN 1.002 nan 8.230 nan 0.000 0.458 26 E N 1.229 121.425 120.200 -0.006 0.000 2.392 26 E HA 0.110 4.460 4.350 -0.000 0.000 0.264 26 E C 0.760 177.356 176.600 -0.006 0.000 1.024 26 E CA 0.179 56.575 56.400 -0.006 0.000 0.903 26 E CB 1.138 30.835 29.700 -0.004 0.000 0.963 26 E HN 0.702 nan 8.360 nan 0.000 0.432 27 A N 5.296 128.112 122.820 -0.007 0.000 1.883 27 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 27 A C 2.018 179.597 177.584 -0.009 0.000 1.186 27 A CA 1.943 53.976 52.037 -0.008 0.000 0.624 27 A CB -0.820 18.175 19.000 -0.009 0.000 0.822 27 A HN 0.963 nan 8.150 nan 0.000 0.444 28 N N 0.134 118.828 118.700 -0.009 0.000 2.060 28 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 28 N C 1.725 177.230 175.510 -0.008 0.000 1.028 28 N CA 2.291 55.335 53.050 -0.010 0.000 0.861 28 N CB -0.207 38.275 38.487 -0.008 0.000 1.029 28 N HN 0.265 nan 8.380 nan 0.000 0.428 29 V N 1.557 121.467 119.914 -0.006 0.000 2.295 29 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 29 V C 2.561 178.651 176.094 -0.006 0.000 1.049 29 V CA 1.748 64.045 62.300 -0.005 0.000 1.024 29 V CB -0.446 31.374 31.823 -0.005 0.000 0.648 29 V HN 0.366 nan 8.190 nan 0.000 0.447 30 M N -0.508 119.088 119.600 -0.007 0.000 2.175 30 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 30 M C 2.292 178.588 176.300 -0.006 0.000 1.063 30 M CA 1.844 57.140 55.300 -0.006 0.000 1.119 30 M CB -0.440 32.156 32.600 -0.006 0.000 1.377 30 M HN 0.443 nan 8.290 nan 0.000 0.415 31 E N 1.141 121.336 120.200 -0.008 0.000 2.077 31 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 31 E C 1.789 178.384 176.600 -0.008 0.000 0.989 31 E CA 1.354 57.748 56.400 -0.010 0.000 0.800 31 E CB -0.040 29.651 29.700 -0.015 0.000 0.746 31 E HN 0.511 nan 8.360 nan 0.000 0.452 32 I N 0.820 121.385 120.570 -0.007 0.000 2.193 32 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 32 I C 2.506 178.623 176.117 0.000 0.000 1.084 32 I CA 0.743 62.041 61.300 -0.003 0.000 1.365 32 I CB -0.190 37.810 38.000 0.000 0.000 1.064 32 I HN 0.177 nan 8.210 nan 0.000 0.410 33 L N 0.442 121.663 121.223 -0.003 0.000 2.079 33 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 33 L C 2.658 179.530 176.870 0.003 0.000 1.081 33 L CA 1.597 56.434 54.840 -0.005 0.000 0.752 33 L CB -1.304 40.750 42.059 -0.009 0.000 0.896 33 L HN 0.372 nan 8.230 nan 0.000 0.433 34 G N 0.816 109.618 108.800 0.003 0.000 2.480 34 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 34 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 34 G C 1.516 176.424 174.900 0.013 0.000 1.200 34 G CA 1.015 46.119 45.100 0.007 0.000 0.782 34 G HN 0.312 nan 8.290 nan 0.000 0.554 35 I N 1.472 122.048 120.570 0.011 0.000 2.179 35 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 35 I C 3.327 179.463 176.117 0.031 0.000 1.088 35 I CA 1.118 62.428 61.300 0.017 0.000 1.357 35 I CB -0.505 37.502 38.000 0.011 0.000 1.051 35 I HN 0.253 nan 8.210 nan 0.000 0.409 36 A N 1.449 124.287 122.820 0.030 0.000 1.858 36 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 36 A C 2.338 179.966 177.584 0.073 0.000 1.190 36 A CA 1.580 53.643 52.037 0.043 0.000 0.617 36 A CB -0.876 18.133 19.000 0.015 0.000 0.827 36 A HN 0.387 nan 8.150 nan 0.000 0.443 37 I N -0.274 120.329 120.570 0.054 0.000 2.286 37 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 37 I C 2.414 178.599 176.117 0.112 0.000 1.115 37 I CA 1.696 63.050 61.300 0.089 0.000 1.392 37 I CB -0.467 37.562 38.000 0.047 0.000 1.065 37 I HN 0.524 nan 8.210 nan 0.000 0.418 38 N N 0.878 119.618 118.700 0.067 0.000 2.080 38 N HA -0.183 4.557 4.740 -0.000 0.000 0.189 38 N C 2.108 177.648 175.510 0.050 0.000 1.036 38 N CA 1.219 54.297 53.050 0.047 0.000 0.846 38 N CB 0.050 38.553 38.487 0.027 0.000 1.015 38 N HN -0.021 nan 8.380 nan 0.000 0.423 39 R N -0.320 120.217 120.500 0.062 0.000 2.083 39 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 39 R C 1.978 178.315 176.300 0.061 0.000 1.137 39 R CA 1.206 57.338 56.100 0.054 0.000 0.951 39 R CB -1.283 29.056 30.300 0.064 0.000 0.851 39 R HN 0.462 nan 8.270 nan 0.000 0.434 40 Y N 1.732 122.024 120.300 -0.013 0.000 2.070 40 Y HA -0.246 4.304 4.550 -0.000 0.000 0.280 40 Y C 1.885 177.761 175.900 -0.040 0.000 1.148 40 Y CA 2.114 60.200 58.100 -0.022 0.000 1.125 40 Y CB -0.682 37.768 38.460 -0.017 0.000 0.975 40 Y HN 0.197 nan 8.280 nan 0.000 0.492 41 N N -0.594 118.088 118.700 -0.031 0.000 2.205 41 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 41 N C 1.963 177.383 175.510 -0.150 0.000 1.015 41 N CA 0.764 53.743 53.050 -0.119 0.000 0.862 41 N CB -0.508 37.981 38.487 0.004 0.000 0.986 41 N HN 0.535 nan 8.380 nan 0.000 0.429 42 G N 1.043 109.786 108.800 -0.095 0.000 2.404 42 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 42 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 42 G C 1.362 176.195 174.900 -0.111 0.000 1.174 42 G CA 0.336 45.387 45.100 -0.082 0.000 0.780 42 G HN 0.153 nan 8.290 nan 0.000 0.537 43 L N 0.121 121.263 121.223 -0.136 0.000 2.492 43 L HA 0.102 4.442 4.340 -0.000 0.000 0.223 43 L C 2.603 179.355 176.870 -0.197 0.000 1.132 43 L CA 0.776 55.538 54.840 -0.131 0.000 0.850 43 L CB 0.146 42.150 42.059 -0.093 0.000 0.966 43 L HN 0.188 nan 8.230 nan 0.000 0.454 44 T N -1.125 113.225 114.554 -0.339 0.000 3.018 44 T HA 0.157 4.507 4.350 -0.000 0.000 0.246 44 T C 0.669 175.141 174.700 -0.380 0.000 1.026 44 T CA -0.141 61.674 62.100 -0.475 0.000 1.081 44 T CB 0.519 68.811 68.868 -0.960 0.000 0.970 44 T HN 0.021 nan 8.240 nan 0.000 0.475 45 L N 1.117 122.171 121.223 -0.282 0.000 4.406 45 L HA -0.120 4.220 4.340 -0.000 0.000 0.406 45 L C 0.460 177.230 176.870 -0.167 0.000 1.133 45 L CA 0.686 55.421 54.840 -0.175 0.000 0.974 45 L CB -1.813 40.175 42.059 -0.119 0.000 2.152 45 L HN 0.241 nan 8.230 nan 0.000 0.736 46 R N -0.464 119.900 120.500 -0.227 0.000 2.549 46 R HA 0.742 5.082 4.340 -0.000 0.000 0.259 46 R C 0.971 177.255 176.300 -0.026 0.000 1.095 46 R CA 0.159 56.194 56.100 -0.109 0.000 1.148 46 R CB 0.948 31.194 30.300 -0.090 0.000 1.181 46 R HN 0.188 nan 8.270 nan 0.000 0.571 47 G N 0.682 109.502 108.800 0.033 0.000 4.713 47 G HA2 0.298 4.258 3.960 -0.000 0.000 0.318 47 G HA3 0.298 4.258 3.960 -0.000 0.000 0.318 47 G C -0.485 174.451 174.900 0.059 0.000 1.435 47 G CA -0.320 44.802 45.100 0.036 0.000 0.965 47 G HN 0.228 nan 8.290 nan 0.000 0.542 48 V N 1.368 121.339 119.914 0.095 0.000 2.637 48 V HA 0.299 4.419 4.120 -0.000 0.000 0.296 48 V C 0.816 176.937 176.094 0.045 0.000 1.046 48 V CA 0.214 62.562 62.300 0.081 0.000 1.066 48 V CB 1.107 33.000 31.823 0.117 0.000 0.968 48 V HN 0.477 nan 8.190 nan 0.000 0.483 49 T N 5.626 120.193 114.554 0.022 0.000 2.934 49 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 49 T C 1.136 175.838 174.700 0.004 0.000 1.005 49 T CA -0.573 61.534 62.100 0.012 0.000 1.041 49 T CB 1.482 70.352 68.868 0.004 0.000 1.042 49 T HN 0.516 nan 8.240 nan 0.000 0.505 50 M N 0.316 119.917 119.600 0.002 0.000 2.349 50 M HA 0.118 4.598 4.480 -0.000 0.000 0.266 50 M C 1.100 177.395 176.300 -0.009 0.000 1.076 50 M CA 1.147 56.445 55.300 -0.004 0.000 1.126 50 M CB 0.061 32.660 32.600 -0.002 0.000 1.392 50 M HN 0.273 nan 8.290 nan 0.000 0.440 51 R N 1.164 121.658 120.500 -0.009 0.000 2.443 51 R HA 0.316 4.656 4.340 -0.000 0.000 0.287 51 R C -2.772 173.519 176.300 -0.014 0.000 1.425 51 R CA -1.691 54.402 56.100 -0.012 0.000 1.300 51 R CB 0.661 30.955 30.300 -0.011 0.000 1.129 51 R HN -0.120 nan 8.270 nan 0.000 0.577 52 P HA 0.149 nan 4.420 nan 0.000 0.271 52 P C -0.113 177.172 177.300 -0.025 0.000 1.216 52 P CA -0.147 62.939 63.100 -0.023 0.000 0.771 52 P CB 1.632 33.312 31.700 -0.033 0.000 0.864 53 T N -1.885 112.655 114.554 -0.023 0.000 3.221 53 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 53 T C 0.874 175.559 174.700 -0.026 0.000 0.988 53 T CA 0.138 62.224 62.100 -0.023 0.000 1.163 53 T CB -0.742 68.116 68.868 -0.016 0.000 1.098 53 T HN 0.436 nan 8.240 nan 0.000 0.422 54 S N 1.954 117.641 115.700 -0.021 0.000 2.600 54 S HA 0.361 4.831 4.470 -0.000 0.000 0.265 54 S C 1.265 175.846 174.600 -0.031 0.000 1.325 54 S CA -0.573 57.615 58.200 -0.020 0.000 1.002 54 S CB 0.832 64.026 63.200 -0.010 0.000 0.921 54 S HN 0.338 nan 8.310 nan 0.000 0.554 55 L N 1.712 122.917 121.223 -0.029 0.000 2.083 55 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 55 L C 2.541 179.387 176.870 -0.040 0.000 1.083 55 L CA 2.375 57.191 54.840 -0.040 0.000 0.752 55 L CB -1.498 40.546 42.059 -0.024 0.000 0.899 55 L HN 0.925 nan 8.230 nan 0.000 0.433 56 A N -1.101 121.709 122.820 -0.016 0.000 1.972 56 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 56 A C 2.201 179.770 177.584 -0.025 0.000 1.169 56 A CA 1.862 53.896 52.037 -0.005 0.000 0.635 56 A CB -0.528 18.484 19.000 0.020 0.000 0.810 56 A HN 0.692 nan 8.150 nan 0.000 0.446 57 Q N -0.960 118.824 119.800 -0.028 0.000 2.172 57 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 57 Q C 2.333 178.297 176.000 -0.060 0.000 0.964 57 Q CA 1.011 56.796 55.803 -0.030 0.000 0.855 57 Q CB -0.087 28.640 28.738 -0.019 0.000 0.918 57 Q HN 0.612 nan 8.270 nan 0.000 0.444 58 R N 0.452 120.904 120.500 -0.079 0.000 2.075 58 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 58 R C 1.897 178.095 176.300 -0.170 0.000 1.126 58 R CA 1.163 57.202 56.100 -0.103 0.000 0.963 58 R CB -0.153 30.082 30.300 -0.108 0.000 0.858 58 R HN 0.247 nan 8.270 nan 0.000 0.435 59 N N 0.897 119.448 118.700 -0.248 0.000 2.069 59 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 59 N C 1.668 176.712 175.510 -0.777 0.000 1.031 59 N CA 1.306 54.013 53.050 -0.571 0.000 0.852 59 N CB -0.252 37.951 38.487 -0.473 0.000 1.018 59 N HN 0.227 nan 8.380 nan 0.000 0.423 60 E N 0.587 120.599 120.200 -0.313 0.000 2.085 60 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 60 E C 2.001 178.575 176.600 -0.043 0.000 0.994 60 E CA 0.958 57.319 56.400 -0.065 0.000 0.801 60 E CB -0.126 29.599 29.700 0.041 0.000 0.743 60 E HN 0.326 nan 8.360 nan 0.000 0.453 61 M N -0.858 118.693 119.600 -0.082 0.000 2.132 61 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 61 M C 1.810 178.048 176.300 -0.103 0.000 1.065 61 M CA 1.290 56.545 55.300 -0.074 0.000 1.122 61 M CB -0.136 32.431 32.600 -0.055 0.000 1.365 61 M HN 0.258 nan 8.290 nan 0.000 0.411 62 F N 0.793 120.599 119.950 -0.240 0.000 2.134 62 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 62 F C 1.430 177.168 175.800 -0.104 0.000 1.097 62 F CA 1.636 59.512 58.000 -0.208 0.000 1.264 62 F CB -0.436 38.390 39.000 -0.290 0.000 1.001 62 F HN 0.118 nan 8.300 nan 0.000 0.479 63 F N -0.042 119.798 119.950 -0.183 0.000 2.269 63 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 63 F C 2.535 178.250 175.800 -0.142 0.000 1.082 63 F CA 1.251 59.136 58.000 -0.191 0.000 1.360 63 F CB -1.350 37.719 39.000 0.115 0.000 1.041 63 F HN 0.118 nan 8.300 nan 0.000 0.512 64 M N -1.090 118.483 119.600 -0.045 0.000 2.132 64 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 64 M C 2.182 178.260 176.300 -0.369 0.000 1.065 64 M CA 1.721 56.783 55.300 -0.395 0.000 1.122 64 M CB -0.454 31.740 32.600 -0.677 0.000 1.365 64 M HN 0.178 nan 8.290 nan 0.000 0.411 65 C N 0.403 119.496 119.300 -0.346 0.000 2.446 65 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 65 C C 2.576 177.374 174.990 -0.319 0.000 1.275 65 C CA 0.584 59.409 59.018 -0.321 0.000 1.727 65 C CB -1.215 26.323 27.740 -0.336 0.000 2.010 65 C HN 0.671 nan 8.230 nan 0.000 0.486 66 L N 1.441 122.376 121.223 -0.480 0.000 2.012 66 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 66 L C 2.020 178.825 176.870 -0.109 0.000 1.073 66 L CA 2.081 56.697 54.840 -0.373 0.000 0.748 66 L CB -1.092 40.617 42.059 -0.584 0.000 0.891 66 L HN 0.269 nan 8.230 nan 0.000 0.431 67 D N -0.880 119.533 120.400 0.020 0.000 2.123 67 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 67 D C 2.264 178.607 176.300 0.072 0.000 0.992 67 D CA 1.718 55.813 54.000 0.158 0.000 0.833 67 D CB -0.095 40.892 40.800 0.313 0.000 0.954 67 D HN 0.396 nan 8.370 nan 0.000 0.455 68 M N -0.419 119.173 119.600 -0.012 0.000 2.175 68 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 68 M C 2.229 178.516 176.300 -0.022 0.000 1.063 68 M CA 0.878 56.166 55.300 -0.021 0.000 1.119 68 M CB -0.170 32.384 32.600 -0.077 0.000 1.377 68 M HN 0.039 nan 8.290 nan 0.000 0.415 69 M N 1.021 120.594 119.600 -0.045 0.000 2.067 69 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 69 M C 1.974 178.265 176.300 -0.015 0.000 1.069 69 M CA 1.951 57.231 55.300 -0.033 0.000 1.117 69 M CB -0.596 31.978 32.600 -0.043 0.000 1.334 69 M HN 0.276 nan 8.290 nan 0.000 0.407 70 L N -0.446 120.776 121.223 -0.002 0.000 2.046 70 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 70 L C 2.429 179.309 176.870 0.016 0.000 1.077 70 L CA 1.297 56.145 54.840 0.013 0.000 0.747 70 L CB -0.872 41.212 42.059 0.042 0.000 0.896 70 L HN 0.289 nan 8.230 nan 0.000 0.432 71 S N -0.039 115.677 115.700 0.027 0.000 2.368 71 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 71 S C 2.203 176.809 174.600 0.009 0.000 1.029 71 S CA 1.137 59.353 58.200 0.026 0.000 0.988 71 S CB -0.248 62.980 63.200 0.046 0.000 0.838 71 S HN 0.489 nan 8.310 nan 0.000 0.462 72 A N 1.241 124.061 122.820 0.001 0.000 1.969 72 A HA 0.241 4.561 4.320 -0.000 0.000 0.218 72 A C 2.203 179.775 177.584 -0.019 0.000 1.169 72 A CA 1.455 53.485 52.037 -0.013 0.000 0.635 72 A CB -0.725 18.262 19.000 -0.022 0.000 0.810 72 A HN 0.500 nan 8.150 nan 0.000 0.445 73 A N -1.832 120.978 122.820 -0.016 0.000 2.123 73 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 73 A C 1.837 179.412 177.584 -0.014 0.000 1.152 73 A CA 1.267 53.293 52.037 -0.020 0.000 0.728 73 A CB -0.821 18.167 19.000 -0.020 0.000 0.814 73 A HN 1.868 nan 8.150 nan 0.000 0.464 74 G N -0.962 107.834 108.800 -0.007 0.000 2.147 74 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 74 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 74 G C 0.036 174.934 174.900 -0.003 0.000 1.005 74 G CA 0.376 45.473 45.100 -0.004 0.000 0.713 74 G HN 0.473 nan 8.290 nan 0.000 0.515 75 I N 0.204 120.773 120.570 -0.001 0.000 2.498 75 I HA 0.338 4.508 4.170 -0.000 0.000 0.301 75 I C 0.420 176.540 176.117 0.005 0.000 0.984 75 I CA -0.782 60.518 61.300 -0.001 0.000 1.204 75 I CB 1.823 39.820 38.000 -0.005 0.000 1.362 75 I HN 0.212 nan 8.210 nan 0.000 0.471 76 N N 4.374 123.075 118.700 0.002 0.000 2.569 76 N HA 0.229 4.969 4.740 -0.000 0.000 0.254 76 N C 0.672 176.184 175.510 0.003 0.000 1.004 76 N CA -0.446 52.605 53.050 0.000 0.000 0.904 76 N CB 1.495 39.977 38.487 -0.009 0.000 1.165 76 N HN 0.507 nan 8.380 nan 0.000 0.513 77 V N 1.807 121.732 119.914 0.019 0.000 2.594 77 V HA 0.191 4.311 4.120 -0.000 0.000 0.253 77 V C 1.323 177.428 176.094 0.018 0.000 1.069 77 V CA 1.075 63.390 62.300 0.025 0.000 1.082 77 V CB -1.757 30.105 31.823 0.064 0.000 0.680 77 V HN 0.863 nan 8.190 nan 0.000 0.469 78 G N 1.006 109.809 108.800 0.004 0.000 2.757 78 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.638 78 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.638 78 G C -2.445 172.459 174.900 0.007 0.000 1.344 78 G CA -0.330 44.768 45.100 -0.002 0.000 0.855 78 G HN 0.551 nan 8.290 nan 0.000 0.537 79 P HA 0.253 nan 4.420 nan 0.000 0.256 79 P C 1.217 178.597 177.300 0.133 0.000 1.688 79 P CA 0.082 63.212 63.100 0.050 0.000 1.162 79 P CB -0.639 31.097 31.700 0.060 0.000 1.870 80 I N -0.643 119.979 120.570 0.088 0.000 3.860 80 I HA 0.244 4.414 4.170 -0.000 0.000 0.319 80 I C 0.373 176.436 176.117 -0.091 0.000 1.279 80 I CA -0.065 61.283 61.300 0.080 0.000 1.220 80 I CB 0.257 38.304 38.000 0.077 0.000 1.027 80 I HN 0.109 nan 8.210 nan 0.000 0.428 81 S N 1.345 116.963 115.700 -0.136 0.000 2.533 81 S HA 0.501 4.971 4.470 -0.000 0.000 0.271 81 S C -2.276 172.209 174.600 -0.192 0.000 1.143 81 S CA -0.860 57.192 58.200 -0.248 0.000 0.891 81 S CB 1.919 65.173 63.200 0.090 0.000 1.105 81 S HN -0.009 nan 8.310 nan 0.000 0.468 82 P HA 0.190 nan 4.420 nan 0.000 0.240 82 P C -0.001 177.310 177.300 0.017 0.000 1.190 82 P CA 0.606 63.696 63.100 -0.018 0.000 0.781 82 P CB 0.205 31.933 31.700 0.047 0.000 0.931 83 D N -1.857 118.573 120.400 0.050 0.000 2.388 83 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 83 D C 0.146 176.394 176.300 -0.087 0.000 1.035 83 D CA 0.485 54.543 54.000 0.097 0.000 0.875 83 D CB 0.025 41.004 40.800 0.298 0.000 0.984 83 D HN 0.220 nan 8.370 nan 0.000 0.508 84 Y N 0.695 120.778 120.300 -0.363 0.000 2.425 84 Y HA 0.473 5.023 4.550 -0.000 0.000 0.344 84 Y C -1.243 174.429 175.900 -0.380 0.000 0.969 84 Y CA -0.567 57.119 58.100 -0.690 0.000 1.052 84 Y CB 1.930 39.747 38.460 -1.070 0.000 1.215 84 Y HN -0.361 nan 8.280 nan 0.000 0.451 85 T N 6.385 120.254 114.554 -1.141 0.000 2.881 85 T HA 0.196 4.546 4.350 -0.000 0.000 0.291 85 T C -1.028 172.838 174.700 -1.390 0.000 0.990 85 T CA -0.721 60.776 62.100 -1.004 0.000 0.976 85 T CB 1.306 69.833 68.868 -0.569 0.000 0.970 85 T HN 0.746 nan 8.240 nan 0.000 0.438 86 Q N 2.967 122.087 119.800 -1.134 0.000 2.311 86 Q HA 0.038 4.378 4.340 -0.000 0.000 0.272 86 Q C -0.680 174.958 176.000 -0.602 0.000 1.012 86 Q CA 0.046 55.450 55.803 -0.666 0.000 0.891 86 Q CB 0.420 29.030 28.738 -0.213 0.000 1.201 86 Q HN 0.617 nan 8.270 nan 0.000 0.391 87 H N 6.471 125.475 119.070 -0.111 0.000 2.685 87 H HA 0.111 4.667 4.556 -0.000 0.000 0.286 87 H C 0.565 175.881 175.328 -0.019 0.000 1.102 87 H CA -0.487 55.520 56.048 -0.068 0.000 1.254 87 H CB 1.091 30.820 29.762 -0.055 0.000 1.397 87 H HN 0.752 nan 8.280 nan 0.000 0.473 88 M N 1.413 121.019 119.600 0.010 0.000 2.358 88 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 88 M C 2.146 178.470 176.300 0.041 0.000 1.064 88 M CA 0.667 55.978 55.300 0.018 0.000 1.093 88 M CB -0.959 31.633 32.600 -0.013 0.000 1.401 88 M HN 0.582 nan 8.290 nan 0.000 0.440 89 A N 0.101 122.951 122.820 0.049 0.000 2.178 89 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 89 A C 2.200 179.813 177.584 0.049 0.000 1.157 89 A CA 1.628 53.683 52.037 0.031 0.000 0.689 89 A CB -1.043 17.958 19.000 0.002 0.000 0.787 89 A HN 0.490 nan 8.150 nan 0.000 0.465 90 T N 0.234 114.847 114.554 0.099 0.000 2.822 90 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 90 T C 1.708 176.469 174.700 0.102 0.000 1.064 90 T CA 1.530 63.721 62.100 0.152 0.000 1.131 90 T CB -0.372 68.632 68.868 0.226 0.000 0.858 90 T HN 0.486 nan 8.240 nan 0.000 0.483 91 I N 1.688 122.298 120.570 0.068 0.000 2.264 91 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 91 I C 2.394 178.536 176.117 0.042 0.000 1.111 91 I CA 1.216 62.544 61.300 0.046 0.000 1.382 91 I CB -0.756 37.262 38.000 0.030 0.000 1.060 91 I HN 0.230 nan 8.210 nan 0.000 0.418 92 G N -0.510 108.313 108.800 0.039 0.000 2.408 92 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 92 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 92 G C 1.648 176.573 174.900 0.042 0.000 1.150 92 G CA 0.953 46.071 45.100 0.031 0.000 0.776 92 G HN 0.352 nan 8.290 nan 0.000 0.542 93 V N 0.927 120.878 119.914 0.061 0.000 2.261 93 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 93 V C 2.745 178.884 176.094 0.076 0.000 1.047 93 V CA 1.153 63.503 62.300 0.083 0.000 1.015 93 V CB -0.461 31.454 31.823 0.153 0.000 0.642 93 V HN 0.218 nan 8.190 nan 0.000 0.446 94 L N 0.260 121.527 121.223 0.073 0.000 2.265 94 L HA 0.016 4.356 4.340 -0.000 0.000 0.215 94 L C 2.242 179.144 176.870 0.054 0.000 1.117 94 L CA 1.880 56.756 54.840 0.059 0.000 0.782 94 L CB -1.410 40.677 42.059 0.046 0.000 0.914 94 L HN 0.357 nan 8.230 nan 0.000 0.441 95 A N -2.161 120.687 122.820 0.047 0.000 2.275 95 A HA 0.101 4.421 4.320 -0.000 0.000 0.212 95 A C 0.981 178.592 177.584 0.046 0.000 1.201 95 A CA 0.022 52.084 52.037 0.042 0.000 0.843 95 A CB -0.617 18.401 19.000 0.030 0.000 0.873 95 A HN 0.275 nan 8.150 nan 0.000 0.492 96 T N 3.218 117.802 114.554 0.050 0.000 2.738 96 T HA 0.234 4.584 4.350 -0.000 0.000 0.293 96 T C -1.498 173.234 174.700 0.053 0.000 0.913 96 T CA -0.719 61.407 62.100 0.044 0.000 1.103 96 T CB 0.998 69.891 68.868 0.042 0.000 0.880 96 T HN 0.261 nan 8.240 nan 0.000 0.526 97 P HA -0.047 nan 4.420 nan 0.000 0.231 97 P C 0.654 177.971 177.300 0.028 0.000 1.158 97 P CA 0.792 63.922 63.100 0.049 0.000 0.763 97 P CB 0.416 32.139 31.700 0.039 0.000 0.805 98 E N -0.362 119.851 120.200 0.022 0.000 2.385 98 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 98 E C 0.870 177.472 176.600 0.003 0.000 1.013 98 E CA 0.117 56.520 56.400 0.005 0.000 0.866 98 E CB -0.295 29.409 29.700 0.005 0.000 0.832 98 E HN 0.348 nan 8.360 nan 0.000 0.500 99 I N 3.894 124.480 120.570 0.026 0.000 2.379 99 I HA 0.137 4.306 4.170 -0.000 0.000 0.290 99 I C -2.030 174.101 176.117 0.024 0.000 1.063 99 I CA -1.956 59.363 61.300 0.031 0.000 1.351 99 I CB 0.503 38.538 38.000 0.058 0.000 1.410 99 I HN -0.110 nan 8.210 nan 0.000 0.505 100 P HA 0.279 nan 4.420 nan 0.000 0.279 100 P C -1.094 176.182 177.300 -0.041 0.000 1.252 100 P CA -0.220 62.798 63.100 -0.136 0.000 0.811 100 P CB 0.943 32.552 31.700 -0.152 0.000 1.035 101 F N -1.655 118.296 119.950 0.002 0.000 2.538 101 F HA 0.662 5.189 4.527 0.000 0.000 0.325 101 F C 0.398 176.200 175.800 0.002 0.000 1.066 101 F CA -1.146 56.855 58.000 0.001 0.000 0.946 101 F CB 0.301 39.302 39.000 0.003 0.000 1.199 101 F HN 0.269 nan 8.300 nan 0.000 0.473 102 T N -1.886 112.805 114.554 0.229 0.000 2.849 102 T HA 0.203 4.553 4.350 -0.000 0.000 0.284 102 T C 0.929 175.751 174.700 0.203 0.000 1.004 102 T CA -0.114 62.067 62.100 0.136 0.000 1.021 102 T CB 1.145 70.066 68.868 0.089 0.000 1.013 102 T HN 0.745 nan 8.240 nan 0.000 0.527 103 T N 1.341 115.965 114.554 0.117 0.000 2.720 103 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 103 T C 1.780 176.542 174.700 0.103 0.000 1.037 103 T CA 1.919 64.087 62.100 0.113 0.000 1.144 103 T CB -0.440 68.464 68.868 0.059 0.000 0.864 103 T HN 0.739 nan 8.240 nan 0.000 0.444 104 E N 1.449 121.697 120.200 0.080 0.000 2.038 104 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 104 E C 2.436 179.080 176.600 0.073 0.000 1.000 104 E CA 1.340 57.779 56.400 0.065 0.000 0.803 104 E CB -0.771 28.961 29.700 0.053 0.000 0.750 104 E HN 0.490 nan 8.360 nan 0.000 0.448 105 A N 0.950 123.823 122.820 0.087 0.000 1.902 105 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 105 A C 2.364 179.959 177.584 0.019 0.000 1.181 105 A CA 2.133 54.206 52.037 0.060 0.000 0.623 105 A CB -0.924 18.119 19.000 0.072 0.000 0.818 105 A HN 0.278 nan 8.150 nan 0.000 0.443 106 A N 0.264 123.122 122.820 0.064 0.000 1.858 106 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 106 A C 1.996 179.581 177.584 0.001 0.000 1.190 106 A CA 1.635 53.662 52.037 -0.017 0.000 0.617 106 A CB -0.711 18.404 19.000 0.192 0.000 0.827 106 A HN 0.617 nan 8.150 nan 0.000 0.443 107 N N -0.544 118.184 118.700 0.046 0.000 2.166 107 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 107 N C 1.858 177.396 175.510 0.047 0.000 1.019 107 N CA 1.538 54.611 53.050 0.038 0.000 0.856 107 N CB -0.189 38.321 38.487 0.039 0.000 0.993 107 N HN 0.815 nan 8.380 nan 0.000 0.426 108 E N 1.007 121.247 120.200 0.066 0.000 2.072 108 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 108 E C 1.823 178.490 176.600 0.111 0.000 0.985 108 E CA 0.783 57.263 56.400 0.134 0.000 0.801 108 E CB 0.112 29.896 29.700 0.141 0.000 0.750 108 E HN 0.116 nan 8.360 nan 0.000 0.452 109 I N 1.495 122.075 120.570 0.017 0.000 2.315 109 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 109 I C 2.574 178.681 176.117 -0.016 0.000 1.117 109 I CA 1.219 62.502 61.300 -0.029 0.000 1.404 109 I CB -1.603 36.336 38.000 -0.101 0.000 1.071 109 I HN 0.211 nan 8.210 nan 0.000 0.419 110 A N 0.807 123.621 122.820 -0.010 0.000 1.933 110 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 110 A C 2.461 180.055 177.584 0.017 0.000 1.175 110 A CA 1.804 53.837 52.037 -0.006 0.000 0.628 110 A CB -0.513 18.487 19.000 -0.001 0.000 0.814 110 A HN 0.275 nan 8.150 nan 0.000 0.444 111 R N -0.142 120.392 120.500 0.057 0.000 2.070 111 R HA -0.079 4.261 4.340 -0.000 0.000 0.233 111 R C 1.917 178.286 176.300 0.116 0.000 1.137 111 R CA 2.042 58.196 56.100 0.090 0.000 0.945 111 R CB -1.139 29.244 30.300 0.137 0.000 0.845 111 R HN 0.237 nan 8.270 nan 0.000 0.430 112 V N 0.130 120.123 119.914 0.132 0.000 2.282 112 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 112 V C 2.138 178.226 176.094 -0.009 0.000 1.057 112 V CA 2.495 64.818 62.300 0.039 0.000 1.032 112 V CB -0.782 31.002 31.823 -0.065 0.000 0.645 112 V HN 0.489 nan 8.190 nan 0.000 0.447 113 T N -0.053 114.489 114.554 -0.020 0.000 2.737 113 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 113 T C 1.881 176.552 174.700 -0.049 0.000 1.038 113 T CA 1.470 63.545 62.100 -0.043 0.000 1.144 113 T CB -0.613 68.228 68.868 -0.044 0.000 0.866 113 T HN 0.632 nan 8.240 nan 0.000 0.434 114 G N 1.936 110.718 108.800 -0.031 0.000 2.421 114 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 114 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 114 G C 1.465 176.328 174.900 -0.062 0.000 1.171 114 G CA 1.444 46.520 45.100 -0.040 0.000 0.775 114 G HN 0.679 nan 8.290 nan 0.000 0.543 115 E N -0.385 119.790 120.200 -0.041 0.000 2.107 115 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 115 E C 2.191 178.715 176.600 -0.127 0.000 0.982 115 E CA 1.588 57.952 56.400 -0.061 0.000 0.809 115 E CB -1.037 28.657 29.700 -0.009 0.000 0.756 115 E HN 0.188 nan 8.360 nan 0.000 0.459 116 T N -0.017 114.469 114.554 -0.112 0.000 2.881 116 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 116 T C 1.673 176.221 174.700 -0.253 0.000 1.068 116 T CA 1.534 63.544 62.100 -0.151 0.000 1.131 116 T CB -0.390 68.421 68.868 -0.095 0.000 0.871 116 T HN 0.465 nan 8.240 nan 0.000 0.479 117 S N -0.791 114.760 115.700 -0.249 0.000 2.575 117 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 117 S C 0.839 175.128 174.600 -0.518 0.000 0.966 117 S CA -0.212 57.805 58.200 -0.305 0.000 0.911 117 S CB 0.258 63.356 63.200 -0.170 0.000 0.780 117 S HN 0.321 nan 8.310 nan 0.000 0.514 118 T N 0.013 114.206 114.554 -0.602 0.000 2.604 118 T HA 0.605 4.955 4.350 -0.000 0.000 0.267 118 T C -1.957 172.183 174.700 -0.932 0.000 0.923 118 T CA -0.784 60.890 62.100 -0.709 0.000 1.077 118 T CB 0.984 69.726 68.868 -0.210 0.000 1.392 118 T HN 0.433 nan 8.240 nan 0.000 0.531 119 W N -0.237 121.070 121.300 0.012 0.000 3.033 119 W HA 0.639 5.299 4.660 0.000 0.000 0.336 119 W C -0.148 176.379 176.519 0.012 0.000 1.173 119 W CA -0.956 56.396 57.345 0.012 0.000 1.185 119 W CB 1.699 31.165 29.460 0.010 0.000 1.425 119 W HN 1.024 nan 8.180 nan 0.000 0.536 120 G N 1.917 110.846 108.800 0.214 0.000 2.673 120 G HA2 0.572 4.532 3.960 -0.000 0.000 0.292 120 G HA3 0.572 4.532 3.960 -0.000 0.000 0.292 120 G C -3.088 171.879 174.900 0.112 0.000 1.450 120 G CA -0.979 44.200 45.100 0.132 0.000 0.837 120 G HN 0.005 nan 8.290 nan 0.000 0.505 121 P HA 0.476 nan 4.420 nan 0.000 0.271 121 P C -0.464 176.870 177.300 0.058 0.000 1.216 121 P CA 0.075 63.224 63.100 0.081 0.000 0.771 121 P CB 1.677 33.428 31.700 0.086 0.000 0.864 122 A N 3.287 126.134 122.820 0.044 0.000 2.517 122 A HA 0.427 4.747 4.320 -0.000 0.000 0.297 122 A C -0.276 177.292 177.584 -0.027 0.000 1.050 122 A CA -0.905 51.135 52.037 0.005 0.000 0.694 122 A CB 1.292 20.289 19.000 -0.006 0.000 1.277 122 A HN 0.434 nan 8.150 nan 0.000 0.400 123 R N 1.862 122.333 120.500 -0.048 0.000 2.446 123 R HA 0.120 4.460 4.340 -0.000 0.000 0.314 123 R C -0.164 176.033 176.300 -0.171 0.000 1.003 123 R CA 0.067 56.121 56.100 -0.077 0.000 1.018 123 R CB 0.330 30.530 30.300 -0.166 0.000 0.945 123 R HN 0.670 nan 8.270 nan 0.000 0.419 124 Q N 4.370 123.972 119.800 -0.330 0.000 2.354 124 Q HA 0.083 4.423 4.340 -0.000 0.000 0.244 124 Q C -1.281 174.553 176.000 -0.277 0.000 0.969 124 Q CA -1.532 54.037 55.803 -0.389 0.000 0.885 124 Q CB 0.632 28.934 28.738 -0.727 0.000 1.241 124 Q HN 0.476 nan 8.270 nan 0.000 0.461 125 P HA -0.106 nan 4.420 nan 0.000 0.217 125 P C -0.252 176.883 177.300 -0.275 0.000 1.151 125 P CA 1.449 64.291 63.100 -0.430 0.000 0.828 125 P CB 0.280 31.486 31.700 -0.824 0.000 0.788 126 Y N 0.012 120.399 120.300 0.145 0.000 2.618 126 Y HA 0.589 5.139 4.550 -0.000 0.000 0.326 126 Y C 1.630 177.701 175.900 0.285 0.000 1.168 126 Y CA -1.478 56.733 58.100 0.185 0.000 1.269 126 Y CB -0.537 38.022 38.460 0.164 0.000 1.388 126 Y HN -0.178 nan 8.280 nan 0.000 0.528 127 G N -0.082 108.986 108.800 0.448 0.000 2.432 127 G HA2 0.011 3.971 3.960 -0.000 0.000 0.239 127 G HA3 0.011 3.971 3.960 -0.000 0.000 0.239 127 G C 0.383 175.486 174.900 0.339 0.000 1.291 127 G CA -0.246 45.085 45.100 0.386 0.000 0.863 127 G HN 0.739 nan 8.290 nan 0.000 0.560 128 F N 1.651 121.659 119.950 0.096 0.000 2.192 128 F HA -0.040 4.487 4.527 -0.000 0.000 0.301 128 F C 1.425 176.925 175.800 -0.500 0.000 1.079 128 F CA 1.192 58.961 58.000 -0.385 0.000 1.303 128 F CB 0.090 38.721 39.000 -0.616 0.000 1.024 128 F HN 0.356 nan 8.300 nan 0.000 0.494 129 F N -0.600 119.469 119.950 0.198 0.000 2.750 129 F HA 0.202 4.729 4.527 0.000 0.000 0.297 129 F C 1.276 177.113 175.800 0.062 0.000 1.138 129 F CA -0.339 57.718 58.000 0.094 0.000 1.346 129 F CB -0.366 38.708 39.000 0.122 0.000 0.965 129 F HN -0.113 nan 8.300 nan 0.000 0.514 130 L N 0.484 121.812 121.223 0.175 0.000 2.079 130 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 130 L C 1.148 178.075 176.870 0.095 0.000 1.081 130 L CA 1.977 56.899 54.840 0.136 0.000 0.752 130 L CB -0.197 41.938 42.059 0.126 0.000 0.896 130 L HN 0.108 nan 8.230 nan 0.000 0.433 131 E N 0.519 120.765 120.200 0.075 0.000 2.280 131 E HA 0.152 4.502 4.350 -0.000 0.000 0.279 131 E C -0.404 176.236 176.600 0.067 0.000 1.325 131 E CA -0.014 56.420 56.400 0.056 0.000 1.486 131 E CB -0.218 29.501 29.700 0.033 0.000 1.466 131 E HN 0.418 nan 8.360 nan 0.000 0.473 132 T N -2.628 111.978 114.554 0.086 0.000 2.856 132 T HA 0.295 4.645 4.350 -0.000 0.000 0.283 132 T C 0.769 175.496 174.700 0.045 0.000 1.008 132 T CA -0.867 61.281 62.100 0.080 0.000 0.997 132 T CB 2.116 71.047 68.868 0.106 0.000 0.992 132 T HN 0.070 nan 8.240 nan 0.000 0.454 133 E N 0.806 121.024 120.200 0.030 0.000 2.318 133 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 133 E C 0.171 176.767 176.600 -0.006 0.000 0.998 133 E CA 0.564 56.971 56.400 0.011 0.000 0.859 133 E CB 0.388 30.093 29.700 0.008 0.000 0.812 133 E HN 0.716 nan 8.360 nan 0.000 0.492 134 E N -0.031 120.168 120.200 -0.000 0.000 2.312 134 E HA 0.388 4.738 4.350 -0.000 0.000 0.267 134 E C -0.869 175.728 176.600 -0.004 0.000 0.894 134 E CA -0.456 55.924 56.400 -0.034 0.000 0.773 134 E CB 2.506 32.188 29.700 -0.029 0.000 1.241 134 E HN -0.186 nan 8.360 nan 0.000 0.432 135 T N 1.015 115.529 114.554 -0.066 0.000 2.900 135 T HA 0.595 4.945 4.350 -0.000 0.000 0.303 135 T C -1.809 172.820 174.700 -0.120 0.000 1.142 135 T CA -0.586 61.519 62.100 0.009 0.000 1.007 135 T CB 0.529 69.392 68.868 -0.008 0.000 1.156 135 T HN 0.256 nan 8.240 nan 0.000 0.490 136 F N 2.491 122.334 119.950 -0.179 0.000 2.469 136 F HA 0.482 5.009 4.527 -0.000 0.000 0.332 136 F C 0.716 176.447 175.800 -0.115 0.000 1.103 136 F CA -0.865 57.019 58.000 -0.193 0.000 0.979 136 F CB 1.726 40.553 39.000 -0.288 0.000 1.137 136 F HN 0.524 nan 8.300 nan 0.000 0.463 137 Q N 5.710 125.527 119.800 0.028 0.000 2.269 137 Q HA 0.028 4.368 4.340 -0.000 0.000 0.300 137 Q C -2.277 173.771 176.000 0.081 0.000 1.070 137 Q CA -1.317 54.514 55.803 0.046 0.000 0.957 137 Q CB 0.542 29.309 28.738 0.048 0.000 1.131 137 Q HN 0.206 nan 8.270 nan 0.000 0.377 138 P HA 0.010 nan 4.420 nan 0.000 0.267 138 P C 0.200 177.553 177.300 0.088 0.000 1.205 138 P CA 0.950 64.087 63.100 0.061 0.000 0.765 138 P CB 0.646 32.377 31.700 0.051 0.000 0.828 139 G N 2.275 111.130 108.800 0.091 0.000 2.143 139 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 139 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 139 G C 0.158 175.201 174.900 0.238 0.000 0.991 139 G CA 0.156 45.344 45.100 0.148 0.000 0.689 139 G HN 0.831 nan 8.290 nan 0.000 0.522 140 R N -0.142 120.489 120.500 0.218 0.000 2.437 140 R HA 0.440 4.780 4.340 -0.000 0.000 0.310 140 R C 0.474 176.979 176.300 0.342 0.000 0.955 140 R CA -1.175 55.106 56.100 0.301 0.000 0.851 140 R CB 0.644 31.085 30.300 0.236 0.000 1.161 140 R HN 0.274 nan 8.270 nan 0.000 0.446 141 W N 6.660 128.119 121.300 0.265 0.000 2.231 141 W HA 0.103 4.763 4.660 -0.000 0.000 0.341 141 W C -1.654 175.030 176.519 0.276 0.000 1.298 141 W CA 0.553 58.033 57.345 0.225 0.000 1.266 141 W CB 0.411 30.040 29.460 0.282 0.000 1.172 141 W HN 0.594 nan 8.180 nan 0.000 0.568 142 F N 8.061 127.640 119.950 -0.619 0.000 2.749 142 F HA 0.306 4.833 4.527 -0.000 0.000 0.339 142 F C -1.710 173.739 175.800 -0.585 0.000 1.211 142 F CA -1.002 56.786 58.000 -0.352 0.000 1.099 142 F CB 0.736 39.702 39.000 -0.056 0.000 1.359 142 F HN 0.224 nan 8.300 nan 0.000 0.549 143 M N 6.595 125.684 119.600 -0.851 0.000 2.253 143 M HA 0.534 5.014 4.480 -0.000 0.000 0.314 143 M C -0.963 174.981 176.300 -0.593 0.000 1.019 143 M CA -0.388 54.570 55.300 -0.570 0.000 0.932 143 M CB 1.661 34.105 32.600 -0.261 0.000 1.606 143 M HN 0.646 nan 8.290 nan 0.000 0.430 144 R N 3.105 123.403 120.500 -0.335 0.000 2.438 144 R HA 0.649 4.989 4.340 -0.000 0.000 0.287 144 R C -0.444 175.777 176.300 -0.131 0.000 1.077 144 R CA 0.066 56.053 56.100 -0.188 0.000 1.034 144 R CB 0.687 30.979 30.300 -0.015 0.000 0.993 144 R HN 0.925 nan 8.270 nan 0.000 0.459 145 A N 3.388 126.149 122.820 -0.099 0.000 2.580 145 A HA 0.265 4.585 4.320 -0.000 0.000 0.244 145 A C 1.193 178.757 177.584 -0.032 0.000 1.045 145 A CA 0.983 52.987 52.037 -0.055 0.000 0.761 145 A CB -0.507 18.474 19.000 -0.031 0.000 0.962 145 A HN 1.307 nan 8.150 nan 0.000 0.512 146 A N 1.636 124.441 122.820 -0.024 0.000 3.526 146 A HA -0.169 4.151 4.320 -0.000 0.000 0.254 146 A C 0.461 178.036 177.584 -0.015 0.000 1.109 146 A CA 1.538 53.567 52.037 -0.013 0.000 1.395 146 A CB -2.252 16.743 19.000 -0.009 0.000 1.057 146 A HN 0.955 nan 8.150 nan 0.000 0.901 147 Q N -1.675 118.108 119.800 -0.029 0.000 2.215 147 Q HA 0.734 5.074 4.340 -0.000 0.000 0.256 147 Q C 1.064 177.047 176.000 -0.027 0.000 0.972 147 Q CA 0.011 55.794 55.803 -0.033 0.000 0.889 147 Q CB 1.633 30.339 28.738 -0.053 0.000 1.281 147 Q HN 0.907 nan 8.270 nan 0.000 0.456 148 A N 0.797 123.603 122.820 -0.023 0.000 2.140 148 A HA 0.234 4.554 4.320 -0.000 0.000 0.209 148 A C 0.217 177.780 177.584 -0.036 0.000 1.181 148 A CA 0.264 52.300 52.037 -0.002 0.000 0.824 148 A CB 0.678 19.685 19.000 0.012 0.000 0.879 148 A HN 0.441 nan 8.150 nan 0.000 0.480 149 V N -1.367 118.496 119.914 -0.084 0.000 2.638 149 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 149 V C -1.310 174.683 176.094 -0.168 0.000 1.052 149 V CA -0.115 62.100 62.300 -0.142 0.000 0.885 149 V CB 1.854 33.594 31.823 -0.138 0.000 0.999 149 V HN 0.037 nan 8.190 nan 0.000 0.424 150 T N 5.659 120.069 114.554 -0.239 0.000 2.949 150 T HA 0.787 5.137 4.350 -0.000 0.000 0.300 150 T C -0.165 174.372 174.700 -0.272 0.000 0.988 150 T CA 0.161 62.127 62.100 -0.224 0.000 0.993 150 T CB 1.311 70.057 68.868 -0.203 0.000 0.984 150 T HN 1.414 nan 8.240 nan 0.000 0.442 151 A N 2.972 125.639 122.820 -0.255 0.000 2.301 151 A HA 0.901 5.221 4.320 -0.000 0.000 0.312 151 A C -0.475 176.867 177.584 -0.403 0.000 1.182 151 A CA -0.576 51.281 52.037 -0.301 0.000 0.826 151 A CB 0.913 19.764 19.000 -0.249 0.000 1.134 151 A HN 0.689 nan 8.150 nan 0.000 0.501 152 V N 2.239 121.855 119.914 -0.496 0.000 3.087 152 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 152 V C -0.551 175.197 176.094 -0.577 0.000 1.187 152 V CA -0.439 61.435 62.300 -0.709 0.000 0.999 152 V CB 2.378 33.499 31.823 -1.170 0.000 1.049 152 V HN 1.348 nan 8.190 nan 0.000 0.431 153 V N 4.362 123.961 119.914 -0.526 0.000 2.498 153 V HA 0.399 4.519 4.120 -0.000 0.000 0.279 153 V C 0.661 176.634 176.094 -0.201 0.000 1.048 153 V CA 0.520 62.538 62.300 -0.472 0.000 0.967 153 V CB 0.815 32.258 31.823 -0.633 0.000 0.988 153 V HN 1.287 nan 8.190 nan 0.000 0.473 154 C N 3.264 122.465 119.300 -0.164 0.000 3.255 154 C HA 0.874 5.334 4.460 -0.000 0.000 0.282 154 C C 0.837 175.824 174.990 -0.005 0.000 1.441 154 C CA -0.040 58.955 59.018 -0.039 0.000 1.785 154 C CB -1.310 26.414 27.740 -0.027 0.000 2.583 154 C HN 1.485 nan 8.230 nan 0.000 0.615 155 G N 0.353 109.150 108.800 -0.005 0.000 2.506 155 G HA2 0.556 4.516 3.960 -0.000 0.000 0.292 155 G HA3 0.556 4.516 3.960 -0.000 0.000 0.292 155 G C -2.889 172.089 174.900 0.130 0.000 1.425 155 G CA -0.557 44.581 45.100 0.064 0.000 0.788 155 G HN -0.179 nan 8.290 nan 0.000 0.490 156 P HA 0.103 nan 4.420 nan 0.000 0.226 156 P C 0.376 177.912 177.300 0.394 0.000 1.153 156 P CA 1.425 64.679 63.100 0.257 0.000 0.777 156 P CB 0.297 32.112 31.700 0.192 0.000 0.794 157 D N -2.984 117.638 120.400 0.369 0.000 2.620 157 D HA 0.258 4.898 4.640 -0.000 0.000 0.260 157 D C 0.000 176.545 176.300 0.408 0.000 1.367 157 D CA -0.148 54.114 54.000 0.436 0.000 0.805 157 D CB -0.341 40.650 40.800 0.319 0.000 1.096 157 D HN 0.059 nan 8.370 nan 0.000 0.488 158 M N 1.149 120.939 119.600 0.316 0.000 2.470 158 M HA 0.560 5.040 4.480 -0.000 0.000 0.285 158 M C -2.001 174.227 176.300 -0.119 0.000 1.213 158 M CA -0.701 54.680 55.300 0.134 0.000 0.901 158 M CB 2.991 35.646 32.600 0.092 0.000 1.718 158 M HN 0.143 nan 8.290 nan 0.000 0.469 159 I N 0.497 120.991 120.570 -0.126 0.000 2.934 159 I HA 0.726 4.896 4.170 -0.000 0.000 0.306 159 I C -1.700 174.322 176.117 -0.159 0.000 1.110 159 I CA -0.552 60.576 61.300 -0.286 0.000 1.019 159 I CB 2.457 40.187 38.000 -0.450 0.000 1.227 159 I HN 0.796 nan 8.210 nan 0.000 0.434 160 Q N 3.381 123.056 119.800 -0.209 0.000 2.397 160 Q HA 0.782 5.122 4.340 -0.000 0.000 0.275 160 Q C -1.879 173.979 176.000 -0.236 0.000 1.090 160 Q CA -1.007 54.694 55.803 -0.169 0.000 0.809 160 Q CB 2.924 31.579 28.738 -0.139 0.000 1.362 160 Q HN 0.604 nan 8.270 nan 0.000 0.431 161 V N 1.273 121.054 119.914 -0.222 0.000 2.540 161 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 161 V C -0.508 175.395 176.094 -0.317 0.000 1.035 161 V CA -0.718 61.423 62.300 -0.265 0.000 0.873 161 V CB 1.810 33.498 31.823 -0.224 0.000 0.992 161 V HN 0.865 nan 8.190 nan 0.000 0.428 162 S N 5.973 121.409 115.700 -0.440 0.000 2.442 162 S HA 0.685 5.155 4.470 -0.000 0.000 0.297 162 S C -0.634 173.692 174.600 -0.458 0.000 1.131 162 S CA -0.560 57.235 58.200 -0.675 0.000 1.092 162 S CB 0.782 63.146 63.200 -1.393 0.000 0.998 162 S HN 0.431 nan 8.310 nan 0.000 0.478 163 L N 3.658 124.782 121.223 -0.165 0.000 2.333 163 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 163 L C 0.227 177.262 176.870 0.275 0.000 1.004 163 L CA -0.668 54.172 54.840 0.001 0.000 0.820 163 L CB 1.285 43.326 42.059 -0.031 0.000 1.247 163 L HN 0.523 nan 8.230 nan 0.000 0.416 164 N N 1.164 120.010 118.700 0.243 0.000 2.399 164 N HA 0.251 4.991 4.740 -0.000 0.000 0.250 164 N C 0.199 175.789 175.510 0.133 0.000 1.272 164 N CA -0.167 53.036 53.050 0.256 0.000 0.928 164 N CB 1.181 39.770 38.487 0.171 0.000 1.158 164 N HN 0.732 nan 8.380 nan 0.000 0.463 165 A N 0.125 122.999 122.820 0.090 0.000 2.546 165 A HA 0.386 4.706 4.320 -0.000 0.000 0.243 165 A C 1.391 179.001 177.584 0.043 0.000 1.063 165 A CA 0.642 52.708 52.037 0.049 0.000 0.757 165 A CB -0.776 18.240 19.000 0.027 0.000 0.991 165 A HN 0.922 nan 8.150 nan 0.000 0.503 166 G N 0.854 109.669 108.800 0.026 0.000 2.189 166 G HA2 0.066 4.026 3.960 -0.000 0.000 0.267 166 G HA3 0.066 4.026 3.960 -0.000 0.000 0.267 166 G C 0.708 175.666 174.900 0.097 0.000 0.975 166 G CA 0.845 45.977 45.100 0.052 0.000 0.644 166 G HN 2.226 nan 8.290 nan 0.000 0.537 167 A N -0.067 122.795 122.820 0.070 0.000 2.366 167 A HA 0.788 5.108 4.320 -0.000 0.000 0.249 167 A C 0.742 178.384 177.584 0.096 0.000 1.084 167 A CA 0.942 53.018 52.037 0.066 0.000 0.794 167 A CB 0.286 19.306 19.000 0.033 0.000 1.034 167 A HN 1.538 nan 8.150 nan 0.000 0.491 168 R N 0.076 120.596 120.500 0.032 0.000 2.643 168 R HA 0.739 5.079 4.340 -0.000 0.000 0.269 168 R C -0.352 175.870 176.300 -0.130 0.000 1.037 168 R CA -0.310 55.750 56.100 -0.068 0.000 0.894 168 R CB 1.351 31.634 30.300 -0.028 0.000 1.238 168 R HN 1.517 nan 8.270 nan 0.000 0.459 169 G N 0.832 109.440 108.800 -0.319 0.000 2.523 169 G HA2 0.353 4.313 3.960 -0.000 0.000 0.291 169 G HA3 0.353 4.313 3.960 -0.000 0.000 0.291 169 G C -1.949 172.853 174.900 -0.164 0.000 1.450 169 G CA -0.745 44.264 45.100 -0.151 0.000 0.790 169 G HN 0.463 nan 8.290 nan 0.000 0.496 170 D N -0.477 119.927 120.400 0.007 0.000 2.175 170 D HA 0.519 5.159 4.640 -0.000 0.000 0.248 170 D C 0.642 176.928 176.300 -0.023 0.000 1.047 170 D CA -0.285 53.738 54.000 0.038 0.000 0.883 170 D CB 2.270 43.119 40.800 0.083 0.000 1.180 170 D HN 0.078 nan 8.370 nan 0.000 0.438 171 V N 2.346 122.239 119.914 -0.035 0.000 3.556 171 V HA -0.088 4.032 4.120 -0.000 0.000 0.287 171 V C 2.117 178.273 176.094 0.104 0.000 1.422 171 V CA 0.077 62.364 62.300 -0.021 0.000 1.038 171 V CB 0.229 32.001 31.823 -0.084 0.000 0.850 171 V HN 0.535 nan 8.190 nan 0.000 0.437 172 Q N 1.430 121.313 119.800 0.138 0.000 2.152 172 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 172 Q C 1.782 178.030 176.000 0.412 0.000 0.985 172 Q CA 2.132 58.148 55.803 0.354 0.000 0.863 172 Q CB -0.638 28.325 28.738 0.374 0.000 0.904 172 Q HN 0.757 nan 8.270 nan 0.000 0.422 173 Q N 0.742 120.678 119.800 0.226 0.000 2.364 173 Q HA -0.127 4.213 4.340 -0.000 0.000 0.209 173 Q C 1.905 178.003 176.000 0.164 0.000 0.977 173 Q CA 1.143 57.052 55.803 0.178 0.000 0.885 173 Q CB -0.720 28.076 28.738 0.098 0.000 0.941 173 Q HN 0.478 nan 8.270 nan 0.000 0.464 174 I N 0.042 120.682 120.570 0.118 0.000 2.493 174 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 174 I C 1.317 177.500 176.117 0.110 0.000 1.160 174 I CA 0.870 62.159 61.300 -0.018 0.000 1.445 174 I CB -0.145 37.702 38.000 -0.256 0.000 1.086 174 I HN -0.034 nan 8.210 nan 0.000 0.433 175 F N 0.227 120.376 119.950 0.331 0.000 2.664 175 F HA 0.155 4.682 4.527 0.000 0.000 0.296 175 F C 1.491 177.481 175.800 0.316 0.000 1.125 175 F CA 0.149 58.390 58.000 0.401 0.000 1.444 175 F CB -0.457 38.755 39.000 0.354 0.000 1.114 175 F HN 0.028 nan 8.300 nan 0.000 0.576 176 Q N -0.422 119.607 119.800 0.383 0.000 2.312 176 Q HA 0.408 4.748 4.340 -0.000 0.000 0.236 176 Q C 1.374 177.461 176.000 0.145 0.000 0.965 176 Q CA 0.455 56.390 55.803 0.220 0.000 0.894 176 Q CB 0.808 29.644 28.738 0.163 0.000 1.225 176 Q HN 0.369 nan 8.270 nan 0.000 0.478 177 G N 0.954 109.802 108.800 0.080 0.000 2.234 177 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 177 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 177 G C -0.167 174.734 174.900 0.002 0.000 0.987 177 G CA 0.417 45.539 45.100 0.038 0.000 0.625 177 G HN 0.578 nan 8.290 nan 0.000 0.532 178 R N 0.320 120.810 120.500 -0.016 0.000 2.514 178 R HA 0.683 5.023 4.340 -0.000 0.000 0.301 178 R C 0.601 176.749 176.300 -0.253 0.000 0.962 178 R CA -0.210 55.802 56.100 -0.146 0.000 0.882 178 R CB 0.939 31.103 30.300 -0.226 0.000 1.143 178 R HN 0.470 nan 8.270 nan 0.000 0.452 179 N N 0.320 118.882 118.700 -0.230 0.000 4.875 179 N HA -0.284 4.456 4.740 -0.000 0.000 0.299 179 N C -1.020 174.453 175.510 -0.062 0.000 0.905 179 N CA 1.218 54.167 53.050 -0.169 0.000 1.035 179 N CB -0.428 37.848 38.487 -0.352 0.000 0.829 179 N HN 0.875 nan 8.380 nan 0.000 0.545 180 D N 0.105 120.515 120.400 0.017 0.000 3.118 180 D HA 0.270 4.910 4.640 -0.000 0.000 0.286 180 D C -2.782 173.557 176.300 0.065 0.000 1.255 180 D CA -1.032 52.976 54.000 0.015 0.000 0.748 180 D CB 0.409 41.205 40.800 -0.007 0.000 1.332 180 D HN 0.278 nan 8.370 nan 0.000 0.575 181 P HA 0.133 nan 4.420 nan 0.000 0.272 181 P C 0.550 177.868 177.300 0.030 0.000 1.223 181 P CA -0.320 62.877 63.100 0.161 0.000 0.784 181 P CB 1.456 33.281 31.700 0.207 0.000 0.923 182 M N 0.228 119.854 119.600 0.043 0.000 2.653 182 M HA 0.191 4.671 4.480 -0.000 0.000 0.259 182 M C 0.499 176.748 176.300 -0.084 0.000 1.244 182 M CA 0.835 56.124 55.300 -0.018 0.000 1.163 182 M CB 0.289 32.907 32.600 0.031 0.000 1.309 182 M HN 0.339 nan 8.290 nan 0.000 0.509 183 M N 0.162 119.724 119.600 -0.064 0.000 2.413 183 M HA 0.516 4.996 4.480 -0.000 0.000 0.287 183 M C -2.076 174.065 176.300 -0.265 0.000 1.186 183 M CA -0.161 54.993 55.300 -0.244 0.000 0.927 183 M CB 2.513 34.986 32.600 -0.212 0.000 1.715 183 M HN -0.046 nan 8.290 nan 0.000 0.478 184 I N 3.819 124.091 120.570 -0.495 0.000 2.466 184 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 184 I C -1.562 174.228 176.117 -0.546 0.000 1.026 184 I CA -0.754 60.328 61.300 -0.363 0.000 1.078 184 I CB 1.710 39.484 38.000 -0.376 0.000 1.249 184 I HN 0.599 nan 8.210 nan 0.000 0.429 185 Y N 6.258 126.386 120.300 -0.286 0.000 2.369 185 Y HA 0.477 5.027 4.550 -0.000 0.000 0.337 185 Y C -0.322 175.460 175.900 -0.197 0.000 0.961 185 Y CA -0.755 57.137 58.100 -0.345 0.000 1.186 185 Y CB 1.028 38.988 38.460 -0.834 0.000 1.139 185 Y HN 0.300 nan 8.280 nan 0.000 0.494 186 L N 3.879 125.095 121.223 -0.013 0.000 2.334 186 L HA 0.739 5.079 4.340 -0.000 0.000 0.270 186 L C -0.532 176.380 176.870 0.070 0.000 1.018 186 L CA -1.192 53.662 54.840 0.023 0.000 0.811 186 L CB 1.956 43.990 42.059 -0.041 0.000 1.271 186 L HN 0.411 nan 8.230 nan 0.000 0.443 187 V N 2.380 122.350 119.914 0.094 0.000 2.711 187 V HA 0.637 4.757 4.120 -0.000 0.000 0.304 187 V C -1.702 174.463 176.094 0.118 0.000 1.097 187 V CA -0.565 61.779 62.300 0.072 0.000 0.906 187 V CB 1.845 33.685 31.823 0.028 0.000 1.015 187 V HN 0.829 nan 8.190 nan 0.000 0.427 188 W N 5.903 127.198 121.300 -0.009 0.000 2.606 188 W HA 0.859 5.519 4.660 -0.000 0.000 0.332 188 W C -1.257 175.258 176.519 -0.007 0.000 1.052 188 W CA -0.938 56.398 57.345 -0.016 0.000 1.223 188 W CB 1.500 30.933 29.460 -0.045 0.000 1.383 188 W HN 0.660 nan 8.180 nan 0.000 0.524 189 R N 2.212 122.775 120.500 0.104 0.000 2.795 189 R HA 0.472 4.812 4.340 -0.000 0.000 0.275 189 R C -0.469 175.925 176.300 0.157 0.000 0.981 189 R CA -1.356 54.694 56.100 -0.084 0.000 0.917 189 R CB 2.882 33.154 30.300 -0.047 0.000 1.202 189 R HN 0.465 nan 8.270 nan 0.000 0.469 190 R N 1.448 121.994 120.500 0.077 0.000 2.298 190 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 190 R C -0.147 176.216 176.300 0.104 0.000 1.068 190 R CA -0.175 56.026 56.100 0.167 0.000 0.957 190 R CB 0.575 30.958 30.300 0.140 0.000 1.003 190 R HN 0.440 nan 8.270 nan 0.000 0.454 191 I N 3.572 124.201 120.570 0.097 0.000 2.329 191 I HA -0.024 4.146 4.170 -0.000 0.000 0.295 191 I C 1.239 177.474 176.117 0.198 0.000 1.109 191 I CA 0.036 61.402 61.300 0.109 0.000 1.297 191 I CB 1.006 39.042 38.000 0.061 0.000 1.433 191 I HN 0.612 nan 8.210 nan 0.000 0.509 192 E N 4.842 125.139 120.200 0.163 0.000 2.204 192 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 192 E C 0.325 177.041 176.600 0.194 0.000 0.990 192 E CA 1.162 57.659 56.400 0.161 0.000 0.821 192 E CB 0.156 29.912 29.700 0.093 0.000 0.750 192 E HN 0.607 nan 8.360 nan 0.000 0.477 193 N N -0.516 118.315 118.700 0.218 0.000 2.533 193 N HA 0.179 4.919 4.740 -0.000 0.000 0.289 193 N C -1.453 174.209 175.510 0.254 0.000 1.103 193 N CA -0.386 52.757 53.050 0.154 0.000 0.877 193 N CB 0.525 39.056 38.487 0.073 0.000 1.419 193 N HN -0.066 nan 8.380 nan 0.000 0.517 194 F N 1.449 121.441 119.950 0.070 0.000 2.631 194 F HA 0.878 5.405 4.527 -0.000 0.000 0.328 194 F C -0.620 175.234 175.800 0.090 0.000 1.067 194 F CA -1.263 56.794 58.000 0.095 0.000 0.969 194 F CB 0.683 39.768 39.000 0.142 0.000 1.332 194 F HN 0.243 nan 8.300 nan 0.000 0.490 195 A N 3.073 126.069 122.820 0.294 0.000 2.290 195 A HA 0.655 4.975 4.320 -0.000 0.000 0.310 195 A C -0.189 177.550 177.584 0.259 0.000 1.202 195 A CA -0.732 51.402 52.037 0.161 0.000 0.837 195 A CB 0.352 19.450 19.000 0.164 0.000 1.139 195 A HN 0.737 nan 8.150 nan 0.000 0.509 196 M N 1.731 121.374 119.600 0.071 0.000 2.227 196 M HA 0.268 4.748 4.480 -0.000 0.000 0.316 196 M C 1.676 178.055 176.300 0.132 0.000 1.144 196 M CA 0.058 55.393 55.300 0.057 0.000 1.121 196 M CB 0.875 33.386 32.600 -0.147 0.000 1.440 196 M HN 0.883 nan 8.290 nan 0.000 0.473 197 A N 0.844 123.758 122.820 0.157 0.000 1.986 197 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 197 A C 1.794 179.437 177.584 0.099 0.000 1.171 197 A CA 1.583 53.731 52.037 0.185 0.000 0.640 197 A CB -0.384 18.731 19.000 0.191 0.000 0.811 197 A HN 0.801 nan 8.150 nan 0.000 0.451 198 Q N -2.146 117.679 119.800 0.041 0.000 2.230 198 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 198 Q C 1.559 177.571 176.000 0.020 0.000 0.963 198 Q CA 1.329 57.143 55.803 0.018 0.000 0.866 198 Q CB 0.060 28.790 28.738 -0.014 0.000 0.931 198 Q HN 1.005 nan 8.270 nan 0.000 0.452 199 G N 0.826 109.641 108.800 0.024 0.000 2.296 199 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.188 199 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.188 199 G C -0.037 174.860 174.900 -0.005 0.000 1.000 199 G CA -0.059 45.055 45.100 0.023 0.000 0.672 199 G HN 0.518 nan 8.290 nan 0.000 0.483 200 N N 0.661 119.339 118.700 -0.037 0.000 2.524 200 N HA 0.592 5.332 4.740 -0.000 0.000 0.283 200 N C 0.273 175.713 175.510 -0.117 0.000 1.142 200 N CA 0.095 53.103 53.050 -0.069 0.000 0.984 200 N CB 1.370 39.808 38.487 -0.081 0.000 1.155 200 N HN 0.065 nan 8.380 nan 0.000 0.467 201 S N 0.247 115.873 115.700 -0.124 0.000 2.579 201 S HA 0.095 4.565 4.470 -0.000 0.000 0.275 201 S C -0.112 174.298 174.600 -0.316 0.000 1.345 201 S CA -0.370 57.716 58.200 -0.189 0.000 1.031 201 S CB 0.737 63.864 63.200 -0.121 0.000 0.892 201 S HN 0.744 nan 8.310 nan 0.000 0.529 202 Q N 0.677 120.147 119.800 -0.551 0.000 2.418 202 Q HA 0.511 4.851 4.340 -0.000 0.000 0.282 202 Q C -1.638 173.986 176.000 -0.626 0.000 1.044 202 Q CA -0.568 54.821 55.803 -0.690 0.000 0.813 202 Q CB 1.529 29.629 28.738 -1.063 0.000 1.428 202 Q HN 0.556 nan 8.270 nan 0.000 0.402 203 Q N 0.023 119.673 119.800 -0.251 0.000 2.248 203 Q HA 0.658 4.998 4.340 -0.000 0.000 0.263 203 Q C -1.188 174.953 176.000 0.236 0.000 1.007 203 Q CA -0.390 55.423 55.803 0.017 0.000 0.877 203 Q CB 2.320 31.066 28.738 0.013 0.000 1.315 203 Q HN 0.656 nan 8.270 nan 0.000 0.454 204 T N 2.879 117.618 114.554 0.308 0.000 2.749 204 T HA 0.301 4.651 4.350 -0.000 0.000 0.287 204 T C -0.689 174.101 174.700 0.151 0.000 0.970 204 T CA -0.760 61.506 62.100 0.277 0.000 0.980 204 T CB 0.732 69.748 68.868 0.248 0.000 0.924 204 T HN 0.308 nan 8.240 nan 0.000 0.456 205 Q N 1.722 121.589 119.800 0.113 0.000 2.340 205 Q HA 0.506 4.846 4.340 -0.000 0.000 0.249 205 Q C 0.266 176.307 176.000 0.069 0.000 0.957 205 Q CA -0.375 55.470 55.803 0.070 0.000 0.882 205 Q CB 0.766 29.531 28.738 0.046 0.000 1.235 205 Q HN 0.828 nan 8.270 nan 0.000 0.439 206 A N 0.306 123.160 122.820 0.057 0.000 2.445 206 A HA 0.497 4.817 4.320 -0.000 0.000 0.242 206 A C 1.060 178.674 177.584 0.050 0.000 1.075 206 A CA 0.799 52.873 52.037 0.062 0.000 0.777 206 A CB -0.049 18.979 19.000 0.048 0.000 1.013 206 A HN 0.915 nan 8.150 nan 0.000 0.493 207 G N 0.039 108.876 108.800 0.062 0.000 2.551 207 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.186 207 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.186 207 G C 0.126 175.023 174.900 -0.006 0.000 1.002 207 G CA -0.063 45.052 45.100 0.025 0.000 0.723 207 G HN 1.254 nan 8.290 nan 0.000 0.481 208 V N 2.573 122.499 119.914 0.020 0.000 2.740 208 V HA 0.548 4.668 4.120 -0.000 0.000 0.303 208 V C 0.948 177.019 176.094 -0.039 0.000 1.054 208 V CA 0.956 63.226 62.300 -0.050 0.000 1.106 208 V CB 1.117 32.938 31.823 -0.004 0.000 0.957 208 V HN 0.909 nan 8.190 nan 0.000 0.486 209 T N 1.298 115.742 114.554 -0.184 0.000 2.906 209 T HA 0.778 5.128 4.350 -0.000 0.000 0.295 209 T C -1.017 173.397 174.700 -0.478 0.000 1.061 209 T CA -0.739 61.234 62.100 -0.212 0.000 1.000 209 T CB 1.855 70.710 68.868 -0.020 0.000 1.103 209 T HN 0.349 nan 8.240 nan 0.000 0.486 210 V N 2.503 122.035 119.914 -0.637 0.000 2.588 210 V HA 0.815 4.935 4.120 -0.000 0.000 0.304 210 V C -0.143 175.771 176.094 -0.301 0.000 1.042 210 V CA -0.701 61.177 62.300 -0.702 0.000 0.877 210 V CB 1.788 32.749 31.823 -1.437 0.000 0.996 210 V HN 1.292 nan 8.190 nan 0.000 0.425 211 S N 3.587 119.171 115.700 -0.193 0.000 2.536 211 S HA 0.847 5.317 4.470 -0.000 0.000 0.287 211 S C -1.197 173.332 174.600 -0.119 0.000 1.101 211 S CA -0.720 57.427 58.200 -0.088 0.000 0.950 211 S CB 2.059 65.249 63.200 -0.017 0.000 1.056 211 S HN 0.434 nan 8.310 nan 0.000 0.481 212 V N 2.254 122.111 119.914 -0.095 0.000 2.409 212 V HA 0.706 4.826 4.120 -0.000 0.000 0.291 212 V C 1.156 177.235 176.094 -0.025 0.000 1.020 212 V CA 0.128 62.361 62.300 -0.111 0.000 0.848 212 V CB 0.479 32.232 31.823 -0.116 0.000 0.990 212 V HN 1.693 nan 8.190 nan 0.000 0.430 213 G N 3.707 112.505 108.800 -0.003 0.000 2.321 213 G HA2 0.025 3.985 3.960 -0.000 0.000 0.287 213 G HA3 0.025 3.985 3.960 -0.000 0.000 0.287 213 G C 1.216 176.106 174.900 -0.017 0.000 1.018 213 G CA 0.947 46.055 45.100 0.012 0.000 0.855 213 G HN 2.254 nan 8.290 nan 0.000 0.507 214 G N -2.882 105.893 108.800 -0.043 0.000 2.241 214 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.244 214 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.244 214 G C 0.998 175.880 174.900 -0.029 0.000 0.998 214 G CA 1.182 46.251 45.100 -0.053 0.000 0.621 214 G HN 2.176 nan 8.290 nan 0.000 0.519 215 V N 1.074 120.980 119.914 -0.013 0.000 2.567 215 V HA 0.659 4.779 4.120 -0.000 0.000 0.289 215 V C -0.053 176.047 176.094 0.009 0.000 1.049 215 V CA -0.308 61.994 62.300 0.003 0.000 0.969 215 V CB 1.566 33.397 31.823 0.013 0.000 0.995 215 V HN 0.253 nan 8.190 nan 0.000 0.471 216 D N 5.918 126.333 120.400 0.026 0.000 2.348 216 D HA 0.362 5.002 4.640 -0.000 0.000 0.253 216 D C -0.254 176.093 176.300 0.078 0.000 1.161 216 D CA 0.050 54.078 54.000 0.046 0.000 0.876 216 D CB 0.615 41.450 40.800 0.058 0.000 1.160 216 D HN 0.459 nan 8.370 nan 0.000 0.459 217 M N 2.867 122.537 119.600 0.117 0.000 2.294 217 M HA 0.359 4.839 4.480 -0.000 0.000 0.335 217 M C 0.248 176.777 176.300 0.381 0.000 1.079 217 M CA -0.530 54.890 55.300 0.200 0.000 0.982 217 M CB 1.635 34.348 32.600 0.189 0.000 1.651 217 M HN 0.254 nan 8.290 nan 0.000 0.437 218 R N 0.919 121.557 120.500 0.230 0.000 2.738 218 R HA 0.569 4.909 4.340 -0.000 0.000 0.268 218 R C 0.229 176.475 176.300 -0.089 0.000 1.062 218 R CA -0.248 55.933 56.100 0.136 0.000 1.158 218 R CB 0.506 30.820 30.300 0.023 0.000 1.046 218 R HN 0.824 nan 8.270 nan 0.000 0.493 219 A N 0.398 122.903 122.820 -0.526 0.000 2.304 219 A HA 0.484 4.804 4.320 -0.000 0.000 0.271 219 A C 0.956 178.191 177.584 -0.581 0.000 1.091 219 A CA 0.201 51.477 52.037 -1.269 0.000 0.812 219 A CB 0.407 18.413 19.000 -1.656 0.000 1.056 219 A HN 0.862 nan 8.150 nan 0.000 0.489 220 G N -0.133 108.372 108.800 -0.492 0.000 2.179 220 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 220 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 220 G C 0.102 174.924 174.900 -0.130 0.000 1.010 220 G CA 0.948 45.905 45.100 -0.238 0.000 0.736 220 G HN 0.884 nan 8.290 nan 0.000 0.513 221 R N -1.059 119.376 120.500 -0.109 0.000 2.673 221 R HA 0.665 5.005 4.340 -0.000 0.000 0.281 221 R C 0.468 176.776 176.300 0.014 0.000 0.991 221 R CA -0.869 55.214 56.100 -0.029 0.000 0.896 221 R CB 0.975 31.265 30.300 -0.017 0.000 1.201 221 R HN 0.197 nan 8.270 nan 0.000 0.457 222 I N 3.977 124.579 120.570 0.053 0.000 2.648 222 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 222 I C 0.046 176.228 176.117 0.109 0.000 1.153 222 I CA 0.591 61.949 61.300 0.096 0.000 1.426 222 I CB 0.386 38.466 38.000 0.133 0.000 1.381 222 I HN 0.391 nan 8.210 nan 0.000 0.571 223 I N 5.736 126.369 120.570 0.106 0.000 2.465 223 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 223 I C 0.086 176.226 176.117 0.039 0.000 1.014 223 I CA -0.548 60.800 61.300 0.081 0.000 1.093 223 I CB 1.858 39.891 38.000 0.054 0.000 1.267 223 I HN 0.589 nan 8.210 nan 0.000 0.431 224 A N 6.489 129.322 122.820 0.022 0.000 2.316 224 A HA 0.343 4.663 4.320 -0.000 0.000 0.311 224 A C -1.321 176.192 177.584 -0.118 0.000 1.339 224 A CA -0.175 51.745 52.037 -0.194 0.000 0.960 224 A CB -0.082 18.914 19.000 -0.008 0.000 1.152 224 A HN 0.700 nan 8.150 nan 0.000 0.547 225 W N 4.232 125.272 121.300 -0.434 0.000 2.587 225 W HA 0.401 5.061 4.660 -0.000 0.000 0.324 225 W C 0.347 176.673 176.519 -0.321 0.000 1.040 225 W CA -1.238 55.913 57.345 -0.324 0.000 1.222 225 W CB 1.340 30.592 29.460 -0.345 0.000 1.381 225 W HN 0.784 nan 8.180 nan 0.000 0.483 226 D N 2.761 122.813 120.400 -0.580 0.000 2.371 226 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 226 D C 1.508 177.228 176.300 -0.966 0.000 0.986 226 D CA 0.908 54.541 54.000 -0.613 0.000 0.899 226 D CB -0.092 40.507 40.800 -0.336 0.000 0.902 226 D HN 0.863 nan 8.370 nan 0.000 0.530 227 G N 0.622 108.164 108.800 -2.097 0.000 2.179 227 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 227 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 227 G C 1.156 175.497 174.900 -0.932 0.000 0.977 227 G CA 0.496 44.340 45.100 -2.093 0.000 0.641 227 G HN 0.345 nan 8.290 nan 0.000 0.533 228 Q N -0.334 119.151 119.800 -0.525 0.000 2.548 228 Q HA 0.505 4.845 4.340 -0.000 0.000 0.230 228 Q C 1.783 177.850 176.000 0.111 0.000 0.899 228 Q CA 0.864 56.596 55.803 -0.117 0.000 0.936 228 Q CB -0.411 28.259 28.738 -0.114 0.000 1.114 228 Q HN 1.095 nan 8.270 nan 0.000 0.606 229 A N 1.699 124.625 122.820 0.177 0.000 2.555 229 A HA 0.365 4.685 4.320 -0.000 0.000 0.233 229 A C 0.187 177.975 177.584 0.341 0.000 1.060 229 A CA 0.529 52.717 52.037 0.251 0.000 0.759 229 A CB -0.065 19.083 19.000 0.247 0.000 0.995 229 A HN 0.281 nan 8.150 nan 0.000 0.506 230 A N 1.371 124.278 122.820 0.145 0.000 2.488 230 A HA 0.433 4.753 4.320 -0.000 0.000 0.249 230 A C -0.096 177.465 177.584 -0.038 0.000 1.083 230 A CA -0.116 51.966 52.037 0.075 0.000 0.768 230 A CB -0.165 18.851 19.000 0.026 0.000 1.017 230 A HN 1.194 nan 8.150 nan 0.000 0.496 231 L N 3.589 124.735 121.223 -0.129 0.000 2.287 231 L HA 0.353 4.693 4.340 -0.000 0.000 0.280 231 L C -0.368 176.414 176.870 -0.147 0.000 1.055 231 L CA -0.052 54.590 54.840 -0.331 0.000 0.863 231 L CB 0.228 41.925 42.059 -0.603 0.000 1.245 231 L HN 0.768 nan 8.230 nan 0.000 0.432 232 H N 3.128 122.062 119.070 -0.228 0.000 2.541 232 H HA 0.631 5.187 4.556 -0.000 0.000 0.316 232 H C -1.063 174.141 175.328 -0.207 0.000 1.043 232 H CA -0.527 55.414 56.048 -0.177 0.000 1.232 232 H CB 1.051 30.733 29.762 -0.133 0.000 1.406 232 H HN 0.333 nan 8.280 nan 0.000 0.469 233 V N 5.163 124.761 119.914 -0.526 0.000 2.472 233 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 233 V C -0.372 175.468 176.094 -0.422 0.000 1.037 233 V CA -0.709 61.322 62.300 -0.449 0.000 0.908 233 V CB 1.054 32.656 31.823 -0.369 0.000 0.985 233 V HN 0.822 nan 8.190 nan 0.000 0.454 234 H N 3.571 122.421 119.070 -0.368 0.000 2.840 234 H HA 0.463 5.019 4.556 -0.000 0.000 0.340 234 H C -0.833 174.409 175.328 -0.144 0.000 1.004 234 H CA -0.833 55.075 56.048 -0.233 0.000 1.288 234 H CB 1.403 31.091 29.762 -0.123 0.000 1.607 234 H HN 0.614 nan 8.280 nan 0.000 0.522 235 N N 6.635 125.149 118.700 -0.309 0.000 2.699 235 N HA 0.215 4.955 4.740 -0.000 0.000 0.232 235 N C -2.167 173.087 175.510 -0.428 0.000 1.027 235 N CA -2.392 50.476 53.050 -0.303 0.000 0.920 235 N CB 1.341 39.767 38.487 -0.103 0.000 1.148 235 N HN 0.449 nan 8.380 nan 0.000 0.509 236 P HA 0.019 nan 4.420 nan 0.000 0.245 236 P C 0.178 177.405 177.300 -0.123 0.000 1.212 236 P CA 0.188 63.074 63.100 -0.357 0.000 0.774 236 P CB 0.283 31.798 31.700 -0.309 0.000 0.999 237 T N 1.317 115.808 114.554 -0.106 0.000 2.860 237 T HA 0.076 4.426 4.350 -0.000 0.000 0.299 237 T C 1.151 175.844 174.700 -0.013 0.000 1.045 237 T CA 0.116 62.193 62.100 -0.037 0.000 1.071 237 T CB 0.435 69.292 68.868 -0.018 0.000 0.985 237 T HN -0.020 nan 8.240 nan 0.000 0.537 238 Q N 1.702 121.502 119.800 -0.001 0.000 2.247 238 Q HA 0.248 4.588 4.340 -0.000 0.000 0.205 238 Q C 0.119 176.122 176.000 0.004 0.000 0.896 238 Q CA 0.400 56.205 55.803 0.003 0.000 0.950 238 Q CB 0.304 29.043 28.738 0.001 0.000 1.054 238 Q HN 0.606 nan 8.270 nan 0.000 0.482 239 Q N -0.303 119.506 119.800 0.015 0.000 2.544 239 Q HA 0.336 4.676 4.340 -0.000 0.000 0.291 239 Q C -0.879 175.154 176.000 0.056 0.000 1.068 239 Q CA -0.871 54.942 55.803 0.017 0.000 0.785 239 Q CB 1.493 30.244 28.738 0.022 0.000 1.481 239 Q HN 0.154 nan 8.270 nan 0.000 0.430 240 N N -0.053 118.679 118.700 0.053 0.000 2.453 240 N HA 0.420 5.160 4.740 -0.000 0.000 0.253 240 N C -1.030 174.672 175.510 0.319 0.000 1.252 240 N CA 0.148 53.289 53.050 0.152 0.000 0.917 240 N CB 0.679 39.094 38.487 -0.120 0.000 1.117 240 N HN 0.537 nan 8.380 nan 0.000 0.442 241 A N 1.208 124.218 122.820 0.316 0.000 2.498 241 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 241 A C -1.057 176.478 177.584 -0.082 0.000 1.075 241 A CA -0.650 51.473 52.037 0.143 0.000 0.714 241 A CB 1.280 20.324 19.000 0.073 0.000 1.299 241 A HN 0.576 nan 8.150 nan 0.000 0.407 242 M N 1.794 121.214 119.600 -0.300 0.000 2.327 242 M HA 0.514 4.994 4.480 -0.000 0.000 0.298 242 M C -1.015 175.195 176.300 -0.150 0.000 1.065 242 M CA -0.829 54.245 55.300 -0.377 0.000 0.916 242 M CB 2.235 34.386 32.600 -0.749 0.000 1.630 242 M HN 0.826 nan 8.290 nan 0.000 0.442 243 V N 1.396 121.249 119.914 -0.103 0.000 2.735 243 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 243 V C -1.023 175.084 176.094 0.021 0.000 1.061 243 V CA -0.694 61.627 62.300 0.035 0.000 0.913 243 V CB 1.819 33.678 31.823 0.061 0.000 1.005 243 V HN 0.971 nan 8.190 nan 0.000 0.428 244 Q N 3.763 123.621 119.800 0.096 0.000 2.274 244 Q HA 0.789 5.129 4.340 -0.000 0.000 0.260 244 Q C -1.359 174.726 176.000 0.141 0.000 0.974 244 Q CA -0.828 55.018 55.803 0.070 0.000 0.876 244 Q CB 2.426 31.199 28.738 0.058 0.000 1.297 244 Q HN 0.826 nan 8.270 nan 0.000 0.446 245 I N 2.585 123.225 120.570 0.117 0.000 2.411 245 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 245 I C -0.639 175.596 176.117 0.196 0.000 1.012 245 I CA -0.620 60.789 61.300 0.182 0.000 1.119 245 I CB 2.006 40.119 38.000 0.189 0.000 1.261 245 I HN 0.699 nan 8.210 nan 0.000 0.448 246 Q N 5.568 125.479 119.800 0.185 0.000 2.257 246 Q HA 0.435 4.775 4.340 -0.000 0.000 0.255 246 Q C -1.243 174.880 176.000 0.205 0.000 0.920 246 Q CA -0.637 55.282 55.803 0.195 0.000 0.927 246 Q CB 2.121 30.950 28.738 0.151 0.000 1.229 246 Q HN 0.485 nan 8.270 nan 0.000 0.433 247 V N 6.205 126.272 119.914 0.256 0.000 2.322 247 V HA 0.004 4.124 4.120 -0.000 0.000 0.258 247 V C 1.086 177.317 176.094 0.228 0.000 1.074 247 V CA 0.059 62.475 62.300 0.194 0.000 0.909 247 V CB 0.647 32.563 31.823 0.154 0.000 1.090 247 V HN 0.840 nan 8.190 nan 0.000 0.486 248 V N 6.979 127.002 119.914 0.182 0.000 2.490 248 V HA 0.016 4.136 4.120 -0.000 0.000 0.250 248 V C 0.382 176.729 176.094 0.421 0.000 1.061 248 V CA 2.076 64.529 62.300 0.255 0.000 1.064 248 V CB -0.390 31.572 31.823 0.232 0.000 0.670 248 V HN 0.862 nan 8.190 nan 0.000 0.461 249 F N -1.672 118.453 119.950 0.293 0.000 2.793 249 F HA 0.604 5.131 4.527 -0.000 0.000 0.316 249 F C -1.279 174.813 175.800 0.487 0.000 1.147 249 F CA -1.635 56.556 58.000 0.320 0.000 0.930 249 F CB 0.253 39.336 39.000 0.138 0.000 1.277 249 F HN 0.185 nan 8.300 nan 0.000 0.443 250 Y N 1.895 122.443 120.300 0.413 0.000 2.609 250 Y HA 0.883 5.433 4.550 0.000 0.000 0.342 250 Y C -1.100 175.029 175.900 0.383 0.000 1.058 250 Y CA -2.391 55.903 58.100 0.324 0.000 1.055 250 Y CB 1.524 40.161 38.460 0.295 0.000 1.292 250 Y HN 0.902 nan 8.280 nan 0.000 0.476 251 I N 1.234 121.998 120.570 0.324 0.000 2.509 251 I HA 0.932 5.102 4.170 -0.000 0.000 0.293 251 I C -0.684 175.521 176.117 0.147 0.000 1.020 251 I CA -0.684 60.712 61.300 0.160 0.000 1.088 251 I CB 2.220 40.361 38.000 0.234 0.000 1.267 251 I HN 0.875 nan 8.210 nan 0.000 0.430 252 S N 4.849 120.590 115.700 0.067 0.000 2.794 252 S HA 0.555 5.025 4.470 -0.000 0.000 0.299 252 S C -0.073 174.574 174.600 0.078 0.000 1.179 252 S CA -0.988 57.271 58.200 0.098 0.000 0.838 252 S CB 1.986 65.271 63.200 0.141 0.000 1.206 252 S HN 0.788 nan 8.310 nan 0.000 0.523 253 M N 1.366 121.020 119.600 0.090 0.000 2.551 253 M HA 0.272 4.752 4.480 -0.000 0.000 0.252 253 M C -0.836 175.566 176.300 0.169 0.000 1.219 253 M CA -0.042 55.343 55.300 0.140 0.000 0.978 253 M CB -0.435 32.256 32.600 0.151 0.000 1.533 253 M HN 0.511 nan 8.290 nan 0.000 0.474 254 D N 1.698 122.162 120.400 0.106 0.000 2.255 254 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 254 D C 0.077 176.426 176.300 0.081 0.000 1.078 254 D CA -0.065 53.995 54.000 0.100 0.000 0.896 254 D CB 1.230 42.070 40.800 0.066 0.000 1.194 254 D HN -0.068 nan 8.370 nan 0.000 0.429 255 K N 1.108 121.560 120.400 0.086 0.000 2.326 255 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 255 K C 0.631 177.259 176.600 0.047 0.000 1.018 255 K CA -0.170 56.153 56.287 0.060 0.000 0.962 255 K CB 0.900 33.433 32.500 0.055 0.000 0.953 255 K HN 0.563 nan 8.250 nan 0.000 0.475 256 T N -1.674 112.894 114.554 0.023 0.000 2.841 256 T HA 0.294 4.644 4.350 -0.000 0.000 0.276 256 T C 0.896 175.608 174.700 0.019 0.000 1.003 256 T CA -0.828 61.272 62.100 0.001 0.000 0.995 256 T CB 0.572 69.415 68.868 -0.042 0.000 1.260 256 T HN 0.148 nan 8.240 nan 0.000 0.581 257 L N 0.831 122.058 121.223 0.008 0.000 2.622 257 L HA 0.297 4.637 4.340 -0.000 0.000 0.233 257 L C 1.178 178.068 176.870 0.034 0.000 1.156 257 L CA 0.943 55.803 54.840 0.032 0.000 0.866 257 L CB -1.728 40.344 42.059 0.022 0.000 0.980 257 L HN 0.649 nan 8.230 nan 0.000 0.448 258 N N -1.443 117.263 118.700 0.010 0.000 2.279 258 N HA 0.001 4.741 4.740 -0.000 0.000 0.226 258 N C 1.419 176.935 175.510 0.009 0.000 1.126 258 N CA -0.112 52.938 53.050 -0.001 0.000 0.846 258 N CB 0.325 38.792 38.487 -0.032 0.000 1.050 258 N HN 0.458 nan 8.380 nan 0.000 0.502 259 Q N -0.379 119.447 119.800 0.044 0.000 2.311 259 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 259 Q C -0.223 175.833 176.000 0.094 0.000 0.954 259 Q CA 0.842 56.677 55.803 0.053 0.000 0.885 259 Q CB 0.047 28.821 28.738 0.060 0.000 0.963 259 Q HN 0.442 nan 8.270 nan 0.000 0.471 260 Y N 1.502 121.796 120.300 -0.010 0.000 2.457 260 Y HA 0.400 4.950 4.550 -0.000 0.000 0.343 260 Y C -2.710 173.188 175.900 -0.003 0.000 0.994 260 Y CA -3.090 55.006 58.100 -0.008 0.000 1.031 260 Y CB 1.872 40.331 38.460 -0.003 0.000 1.246 260 Y HN -0.092 nan 8.280 nan 0.000 0.449 261 P HA 0.059 nan 4.420 nan 0.000 0.260 261 P C 0.018 177.258 177.300 -0.100 0.000 1.185 261 P CA 1.573 64.468 63.100 -0.341 0.000 0.763 261 P CB 0.537 31.990 31.700 -0.411 0.000 0.776 262 A N 3.003 125.822 122.820 -0.001 0.000 2.799 262 A HA -0.224 4.096 4.320 -0.000 0.000 0.287 262 A C 1.386 179.063 177.584 0.155 0.000 1.484 262 A CA 0.820 52.899 52.037 0.069 0.000 0.813 262 A CB -2.347 16.687 19.000 0.057 0.000 1.009 262 A HN 0.638 nan 8.150 nan 0.000 0.545 263 L N -1.075 120.270 121.223 0.203 0.000 2.043 263 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 263 L C 2.583 179.548 176.870 0.158 0.000 1.075 263 L CA 2.686 57.657 54.840 0.219 0.000 0.752 263 L CB -0.577 41.600 42.059 0.198 0.000 0.891 263 L HN 0.734 nan 8.230 nan 0.000 0.432 264 T N -0.240 114.390 114.554 0.126 0.000 2.684 264 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 264 T C 1.877 176.680 174.700 0.172 0.000 1.036 264 T CA 1.316 63.491 62.100 0.126 0.000 1.148 264 T CB -0.352 68.559 68.868 0.072 0.000 0.863 264 T HN 0.535 nan 8.240 nan 0.000 0.436 265 A N 1.625 124.534 122.820 0.148 0.000 1.972 265 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 265 A C 2.330 180.053 177.584 0.231 0.000 1.169 265 A CA 1.189 53.338 52.037 0.187 0.000 0.635 265 A CB -0.316 18.759 19.000 0.125 0.000 0.810 265 A HN 0.319 nan 8.150 nan 0.000 0.446 266 E N 0.111 120.420 120.200 0.182 0.000 2.047 266 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 266 E C 1.976 178.671 176.600 0.158 0.000 0.987 266 E CA 0.952 57.440 56.400 0.146 0.000 0.799 266 E CB -0.529 29.238 29.700 0.113 0.000 0.752 266 E HN 0.709 nan 8.360 nan 0.000 0.449 267 I N 0.746 121.437 120.570 0.201 0.000 2.163 267 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 267 I C 2.371 178.702 176.117 0.357 0.000 1.085 267 I CA 1.148 62.615 61.300 0.278 0.000 1.347 267 I CB -0.286 37.888 38.000 0.290 0.000 1.044 267 I HN -0.003 nan 8.210 nan 0.000 0.408 268 F N 1.761 121.826 119.950 0.192 0.000 2.126 268 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 268 F C 2.290 178.196 175.800 0.176 0.000 1.096 268 F CA 2.082 60.191 58.000 0.182 0.000 1.255 268 F CB -0.716 38.350 39.000 0.110 0.000 0.997 268 F HN 0.116 nan 8.300 nan 0.000 0.479 269 N N 0.092 118.797 118.700 0.008 0.000 2.069 269 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 269 N C 1.897 177.354 175.510 -0.089 0.000 1.031 269 N CA 1.810 54.792 53.050 -0.113 0.000 0.852 269 N CB -0.146 38.346 38.487 0.009 0.000 1.018 269 N HN 0.263 nan 8.380 nan 0.000 0.423 270 V N 0.334 120.246 119.914 -0.003 0.000 2.343 270 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 270 V C 1.345 177.419 176.094 -0.033 0.000 1.051 270 V CA 1.553 63.851 62.300 -0.004 0.000 1.036 270 V CB -0.745 30.952 31.823 -0.210 0.000 0.654 270 V HN 0.377 nan 8.190 nan 0.000 0.451 271 Y N 0.021 120.392 120.300 0.119 0.000 2.490 271 Y HA 0.189 4.739 4.550 -0.000 0.000 0.281 271 Y C 1.639 177.658 175.900 0.199 0.000 1.174 271 Y CA -0.260 57.944 58.100 0.174 0.000 1.295 271 Y CB -0.326 38.231 38.460 0.161 0.000 1.062 271 Y HN 0.115 nan 8.280 nan 0.000 0.522 272 S N 0.480 116.245 115.700 0.107 0.000 2.579 272 S HA -0.043 4.427 4.470 -0.000 0.000 0.275 272 S C 0.966 175.794 174.600 0.381 0.000 1.345 272 S CA -0.550 57.685 58.200 0.059 0.000 1.031 272 S CB 0.415 63.471 63.200 -0.240 0.000 0.892 272 S HN 0.362 nan 8.310 nan 0.000 0.529 273 F N 2.492 122.575 119.950 0.221 0.000 2.060 273 F HA -0.027 4.500 4.527 -0.000 0.000 0.295 273 F C 1.920 177.837 175.800 0.195 0.000 1.120 273 F CA 1.786 59.911 58.000 0.208 0.000 1.205 273 F CB -0.152 38.912 39.000 0.107 0.000 0.986 273 F HN 0.746 nan 8.300 nan 0.000 0.470 274 R N -0.327 120.119 120.500 -0.090 0.000 1.195 274 R HA -0.309 4.031 4.340 -0.000 0.000 0.014 274 R C -0.575 175.449 176.300 -0.461 0.000 0.961 274 R CA 2.018 57.979 56.100 -0.231 0.000 1.984 274 R CB -2.002 28.110 30.300 -0.312 0.000 0.125 274 R HN 0.605 nan 8.270 nan 0.000 0.732 275 D N -3.133 116.742 120.400 -0.876 0.000 2.738 275 D HA 0.208 4.848 4.640 -0.000 0.000 0.308 275 D C 0.045 175.725 176.300 -1.032 0.000 1.311 275 D CA -0.422 53.017 54.000 -0.936 0.000 0.799 275 D CB -0.131 40.530 40.800 -0.232 0.000 1.332 275 D HN 0.193 nan 8.370 nan 0.000 0.441 276 H N -1.140 117.707 119.070 -0.372 0.000 2.421 276 H HA 0.015 4.571 4.556 -0.000 0.000 0.298 276 H C 1.392 176.636 175.328 -0.140 0.000 1.087 276 H CA 2.335 58.314 56.048 -0.115 0.000 1.330 276 H CB -0.062 29.723 29.762 0.039 0.000 1.388 276 H HN 0.409 nan 8.280 nan 0.000 0.526 277 T N 0.246 114.753 114.554 -0.079 0.000 2.770 277 T HA -0.185 4.165 4.350 -0.000 0.000 0.263 277 T C 1.802 176.348 174.700 -0.257 0.000 1.039 277 T CA 1.058 63.047 62.100 -0.185 0.000 1.142 277 T CB -0.321 68.401 68.868 -0.244 0.000 0.868 277 T HN 0.568 nan 8.240 nan 0.000 0.435 278 W N 1.657 122.653 121.300 -0.506 0.000 2.358 278 W HA -0.225 4.435 4.660 -0.000 0.000 0.303 278 W C 2.247 178.538 176.519 -0.381 0.000 1.208 278 W CA 1.632 58.582 57.345 -0.659 0.000 1.274 278 W CB -0.579 28.328 29.460 -0.921 0.000 1.138 278 W HN 0.399 nan 8.180 nan 0.000 0.515 279 H N -0.083 118.660 119.070 -0.545 0.000 2.319 279 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 279 H C 2.468 177.551 175.328 -0.409 0.000 1.092 279 H CA 3.042 58.812 56.048 -0.462 0.000 1.302 279 H CB -0.814 28.789 29.762 -0.265 0.000 1.373 279 H HN 0.143 nan 8.280 nan 0.000 0.497 280 G N 0.679 109.265 108.800 -0.356 0.000 2.421 280 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 280 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 280 G C 1.859 176.551 174.900 -0.345 0.000 1.171 280 G CA 0.668 45.587 45.100 -0.302 0.000 0.775 280 G HN 0.434 nan 8.290 nan 0.000 0.543 281 L N 0.137 121.126 121.223 -0.390 0.000 2.017 281 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 281 L C 2.958 179.516 176.870 -0.520 0.000 1.073 281 L CA 1.600 56.231 54.840 -0.347 0.000 0.745 281 L CB -0.385 41.511 42.059 -0.272 0.000 0.894 281 L HN 0.236 nan 8.230 nan 0.000 0.432 282 R N -0.502 119.447 120.500 -0.918 0.000 2.083 282 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 282 R C 2.003 178.000 176.300 -0.506 0.000 1.137 282 R CA 2.327 57.900 56.100 -0.879 0.000 0.951 282 R CB -0.591 29.005 30.300 -1.174 0.000 0.851 282 R HN 0.358 nan 8.270 nan 0.000 0.434 283 T N 1.094 115.352 114.554 -0.494 0.000 2.665 283 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 283 T C 1.886 176.458 174.700 -0.213 0.000 1.035 283 T CA 1.791 63.695 62.100 -0.326 0.000 1.151 283 T CB -0.425 68.219 68.868 -0.373 0.000 0.862 283 T HN 0.491 nan 8.240 nan 0.000 0.438 284 A N 0.919 123.614 122.820 -0.208 0.000 1.908 284 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 284 A C 2.309 179.831 177.584 -0.103 0.000 1.181 284 A CA 1.361 53.325 52.037 -0.121 0.000 0.627 284 A CB -0.782 18.165 19.000 -0.089 0.000 0.818 284 A HN 0.552 nan 8.150 nan 0.000 0.445 285 I N -0.556 119.928 120.570 -0.143 0.000 2.252 285 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 285 I C 2.224 178.286 176.117 -0.091 0.000 1.102 285 I CA 0.990 62.225 61.300 -0.108 0.000 1.385 285 I CB -0.299 37.619 38.000 -0.137 0.000 1.064 285 I HN 0.252 nan 8.210 nan 0.000 0.414 286 L N 0.645 121.799 121.223 -0.116 0.000 2.275 286 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 286 L C 1.926 178.779 176.870 -0.029 0.000 1.119 286 L CA 0.722 55.523 54.840 -0.064 0.000 0.790 286 L CB -0.672 41.353 42.059 -0.058 0.000 0.919 286 L HN 0.323 nan 8.230 nan 0.000 0.443 287 N N 0.399 119.075 118.700 -0.041 0.000 2.443 287 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 287 N C 1.458 176.962 175.510 -0.011 0.000 1.037 287 N CA 0.873 53.911 53.050 -0.021 0.000 0.896 287 N CB -0.108 38.362 38.487 -0.028 0.000 0.959 287 N HN 0.161 nan 8.380 nan 0.000 0.442 288 R N -0.162 120.329 120.500 -0.016 0.000 2.388 288 R HA 0.147 4.487 4.340 -0.000 0.000 0.247 288 R C 0.344 176.642 176.300 -0.004 0.000 0.931 288 R CA 0.023 56.117 56.100 -0.009 0.000 1.082 288 R CB 0.063 30.355 30.300 -0.012 0.000 1.135 288 R HN 0.265 nan 8.270 nan 0.000 0.525 289 T N -5.345 109.209 114.554 0.001 0.000 2.773 289 T HA 0.234 4.584 4.350 -0.000 0.000 0.278 289 T C 0.919 175.633 174.700 0.023 0.000 1.011 289 T CA -0.342 61.764 62.100 0.010 0.000 1.014 289 T CB 1.545 70.418 68.868 0.008 0.000 1.293 289 T HN 0.029 nan 8.240 nan 0.000 0.554 290 T N -0.651 113.922 114.554 0.031 0.000 3.144 290 T HA 0.321 4.671 4.350 -0.000 0.000 0.249 290 T C 0.314 175.050 174.700 0.061 0.000 1.089 290 T CA -0.375 61.750 62.100 0.042 0.000 0.989 290 T CB -0.316 68.576 68.868 0.040 0.000 0.992 290 T HN 0.280 nan 8.240 nan 0.000 0.540 291 L N 3.143 124.408 121.223 0.069 0.000 2.357 291 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 291 L C -2.073 174.869 176.870 0.120 0.000 1.080 291 L CA -2.719 52.185 54.840 0.108 0.000 0.803 291 L CB 0.745 42.880 42.059 0.127 0.000 1.174 291 L HN 0.014 nan 8.230 nan 0.000 0.443 292 P HA 0.086 nan 4.420 nan 0.000 0.269 292 P C -0.109 177.318 177.300 0.212 0.000 1.209 292 P CA -0.167 63.004 63.100 0.118 0.000 0.776 292 P CB 0.462 32.191 31.700 0.047 0.000 0.876 293 N N 2.933 121.720 118.700 0.145 0.000 2.446 293 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 293 N C 1.094 176.727 175.510 0.205 0.000 1.054 293 N CA 1.087 54.214 53.050 0.128 0.000 0.905 293 N CB -0.506 37.989 38.487 0.014 0.000 0.973 293 N HN 0.524 nan 8.380 nan 0.000 0.448 294 M N -2.485 117.271 119.600 0.260 0.000 2.215 294 M HA 0.421 4.901 4.480 -0.000 0.000 0.391 294 M C -0.911 175.601 176.300 0.354 0.000 0.914 294 M CA -0.243 55.275 55.300 0.364 0.000 1.035 294 M CB 0.932 33.659 32.600 0.211 0.000 1.944 294 M HN -0.191 nan 8.290 nan 0.000 0.656 295 L N 2.190 123.395 121.223 -0.030 0.000 2.408 295 L HA 0.695 5.035 4.340 -0.000 0.000 0.268 295 L C -2.569 173.865 176.870 -0.727 0.000 0.986 295 L CA -1.964 52.712 54.840 -0.273 0.000 0.820 295 L CB 2.312 44.318 42.059 -0.087 0.000 1.303 295 L HN -0.188 nan 8.230 nan 0.000 0.411 296 P HA 0.044 nan 4.420 nan 0.000 0.266 296 P C -2.404 174.727 177.300 -0.282 0.000 1.193 296 P CA -0.633 62.071 63.100 -0.660 0.000 0.770 296 P CB -0.359 31.186 31.700 -0.259 0.000 0.836 297 P HA 0.092 nan 4.420 nan 0.000 0.270 297 P C 0.648 177.907 177.300 -0.068 0.000 1.223 297 P CA 0.173 63.252 63.100 -0.036 0.000 0.785 297 P CB 0.848 32.583 31.700 0.058 0.000 0.923 298 I N -0.499 120.002 120.570 -0.115 0.000 2.400 298 I HA -0.058 4.112 4.170 -0.000 0.000 0.248 298 I C 0.783 176.642 176.117 -0.430 0.000 1.109 298 I CA 1.067 62.174 61.300 -0.323 0.000 1.425 298 I CB -0.230 37.469 38.000 -0.503 0.000 1.094 298 I HN 0.140 nan 8.210 nan 0.000 0.425 299 F N 1.907 121.913 119.950 0.093 0.000 2.450 299 F HA 0.404 4.931 4.527 -0.000 0.000 0.332 299 F C -2.047 173.795 175.800 0.069 0.000 1.093 299 F CA -3.141 54.917 58.000 0.097 0.000 1.003 299 F CB 0.053 39.109 39.000 0.092 0.000 1.151 299 F HN -0.231 nan 8.300 nan 0.000 0.474 300 P HA 0.133 nan 4.420 nan 0.000 0.268 300 P C -2.605 174.780 177.300 0.142 0.000 1.205 300 P CA -0.895 62.291 63.100 0.143 0.000 0.771 300 P CB 0.014 31.775 31.700 0.102 0.000 0.858 301 P HA 0.124 nan 4.420 nan 0.000 0.272 301 P C 0.538 177.878 177.300 0.067 0.000 1.240 301 P CA -0.067 63.086 63.100 0.089 0.000 0.791 301 P CB 0.394 32.138 31.700 0.073 0.000 0.978 302 N N -0.458 118.272 118.700 0.050 0.000 2.116 302 N HA 0.024 4.764 4.740 -0.000 0.000 0.230 302 N C -1.032 174.477 175.510 -0.002 0.000 1.326 302 N CA -0.241 52.827 53.050 0.030 0.000 0.867 302 N CB 0.573 39.092 38.487 0.053 0.000 1.174 302 N HN 0.370 nan 8.380 nan 0.000 0.506 303 D N 0.497 120.896 120.400 -0.001 0.000 2.299 303 D HA 0.173 4.813 4.640 -0.000 0.000 0.243 303 D C 0.794 177.075 176.300 -0.032 0.000 0.982 303 D CA -0.663 53.325 54.000 -0.020 0.000 0.924 303 D CB 2.753 43.552 40.800 -0.002 0.000 1.238 303 D HN -0.125 nan 8.370 nan 0.000 0.484 304 R N 0.495 120.967 120.500 -0.047 0.000 2.096 304 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 304 R C 0.862 177.133 176.300 -0.048 0.000 1.139 304 R CA 2.012 58.080 56.100 -0.053 0.000 0.952 304 R CB -0.169 30.098 30.300 -0.055 0.000 0.854 304 R HN 0.451 nan 8.270 nan 0.000 0.436 305 D N -0.166 120.214 120.400 -0.033 0.000 2.104 305 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 305 D C 2.037 178.321 176.300 -0.026 0.000 0.994 305 D CA 1.805 55.788 54.000 -0.028 0.000 0.830 305 D CB -0.372 40.418 40.800 -0.015 0.000 0.959 305 D HN 0.210 nan 8.370 nan 0.000 0.452 306 S N 0.463 116.155 115.700 -0.013 0.000 2.356 306 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 306 S C 2.079 176.666 174.600 -0.021 0.000 1.032 306 S CA 0.511 58.710 58.200 -0.002 0.000 1.005 306 S CB -0.083 63.130 63.200 0.022 0.000 0.867 306 S HN 0.202 nan 8.310 nan 0.000 0.449 307 I N 1.675 122.219 120.570 -0.043 0.000 2.163 307 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 307 I C 2.297 178.334 176.117 -0.134 0.000 1.085 307 I CA 1.171 62.416 61.300 -0.091 0.000 1.347 307 I CB -1.388 36.544 38.000 -0.112 0.000 1.044 307 I HN 0.283 nan 8.210 nan 0.000 0.408 308 L N 0.520 121.675 121.223 -0.112 0.000 1.989 308 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 308 L C 2.604 179.423 176.870 -0.084 0.000 1.071 308 L CA 2.037 56.810 54.840 -0.111 0.000 0.749 308 L CB -0.586 41.425 42.059 -0.081 0.000 0.890 308 L HN 0.277 nan 8.230 nan 0.000 0.431 309 T N 0.421 114.941 114.554 -0.058 0.000 2.720 309 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 309 T C 1.931 176.605 174.700 -0.044 0.000 1.037 309 T CA 1.376 63.450 62.100 -0.043 0.000 1.144 309 T CB -0.271 68.579 68.868 -0.030 0.000 0.864 309 T HN 0.229 nan 8.240 nan 0.000 0.444 310 L N 0.195 121.390 121.223 -0.047 0.000 2.027 310 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 310 L C 2.541 179.383 176.870 -0.047 0.000 1.074 310 L CA 1.139 55.957 54.840 -0.038 0.000 0.745 310 L CB -0.607 41.446 42.059 -0.011 0.000 0.898 310 L HN 0.242 nan 8.230 nan 0.000 0.433 311 L N -0.946 120.220 121.223 -0.096 0.000 2.012 311 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 311 L C 2.594 179.436 176.870 -0.047 0.000 1.073 311 L CA 0.907 55.686 54.840 -0.102 0.000 0.748 311 L CB -0.537 41.401 42.059 -0.201 0.000 0.891 311 L HN 0.238 nan 8.230 nan 0.000 0.431 312 L N -0.441 120.753 121.223 -0.047 0.000 2.046 312 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 312 L C 2.379 179.257 176.870 0.013 0.000 1.077 312 L CA 1.657 56.483 54.840 -0.022 0.000 0.747 312 L CB -0.794 41.246 42.059 -0.031 0.000 0.896 312 L HN 0.181 nan 8.230 nan 0.000 0.432 313 L N -1.760 119.475 121.223 0.021 0.000 2.093 313 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 313 L C 2.650 179.593 176.870 0.122 0.000 1.085 313 L CA 1.270 56.163 54.840 0.088 0.000 0.755 313 L CB -0.217 41.867 42.059 0.042 0.000 0.904 313 L HN 0.321 nan 8.230 nan 0.000 0.435 314 S N -0.987 114.744 115.700 0.051 0.000 2.356 314 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 314 S C 1.897 176.500 174.600 0.005 0.000 1.032 314 S CA 2.066 60.282 58.200 0.027 0.000 1.005 314 S CB -0.135 63.080 63.200 0.025 0.000 0.867 314 S HN 0.475 nan 8.310 nan 0.000 0.449 315 T N 2.599 117.163 114.554 0.017 0.000 2.708 315 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 315 T C 1.704 176.419 174.700 0.025 0.000 1.037 315 T CA 1.412 63.520 62.100 0.013 0.000 1.146 315 T CB -0.552 68.323 68.868 0.012 0.000 0.865 315 T HN 0.316 nan 8.240 nan 0.000 0.435 316 L N 1.320 122.583 121.223 0.065 0.000 2.127 316 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 316 L C 2.523 179.466 176.870 0.121 0.000 1.089 316 L CA 1.640 56.564 54.840 0.141 0.000 0.757 316 L CB -0.813 41.369 42.059 0.206 0.000 0.899 316 L HN 0.236 nan 8.230 nan 0.000 0.434 317 A N -1.015 121.740 122.820 -0.107 0.000 1.930 317 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 317 A C 1.985 179.382 177.584 -0.311 0.000 1.175 317 A CA 1.714 53.372 52.037 -0.633 0.000 0.627 317 A CB -0.658 17.901 19.000 -0.735 0.000 0.815 317 A HN 0.505 nan 8.150 nan 0.000 0.443 318 D N -0.175 120.143 120.400 -0.136 0.000 2.117 318 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 318 D C 2.092 178.381 176.300 -0.018 0.000 0.982 318 D CA 1.378 55.334 54.000 -0.074 0.000 0.828 318 D CB -0.430 40.349 40.800 -0.036 0.000 0.967 318 D HN 0.210 nan 8.370 nan 0.000 0.464 319 V N 0.731 120.673 119.914 0.046 0.000 2.343 319 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 319 V C 2.229 178.408 176.094 0.141 0.000 1.051 319 V CA 1.433 63.798 62.300 0.108 0.000 1.036 319 V CB -0.678 31.244 31.823 0.165 0.000 0.654 319 V HN 0.184 nan 8.190 nan 0.000 0.451 320 Y N 1.222 121.546 120.300 0.040 0.000 2.128 320 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 320 Y C 2.720 178.486 175.900 -0.222 0.000 1.154 320 Y CA 2.433 60.429 58.100 -0.173 0.000 1.149 320 Y CB -0.527 37.754 38.460 -0.298 0.000 0.976 320 Y HN 0.199 nan 8.280 nan 0.000 0.505 321 T N -0.433 114.098 114.554 -0.038 0.000 2.746 321 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 321 T C 2.051 176.674 174.700 -0.129 0.000 1.039 321 T CA 1.909 63.952 62.100 -0.096 0.000 1.142 321 T CB -0.751 68.063 68.868 -0.089 0.000 0.866 321 T HN 0.437 nan 8.240 nan 0.000 0.444 322 V N 0.155 120.012 119.914 -0.095 0.000 2.446 322 V HA 0.111 4.231 4.120 -0.000 0.000 0.244 322 V C 2.125 178.150 176.094 -0.114 0.000 1.039 322 V CA 1.256 63.505 62.300 -0.085 0.000 1.045 322 V CB -0.735 31.059 31.823 -0.049 0.000 0.681 322 V HN 0.468 nan 8.190 nan 0.000 0.459 323 L N 0.150 121.294 121.223 -0.131 0.000 2.291 323 L HA 0.149 4.489 4.340 -0.000 0.000 0.214 323 L C 1.367 178.080 176.870 -0.262 0.000 1.120 323 L CA 0.736 55.483 54.840 -0.154 0.000 0.799 323 L CB -0.508 41.502 42.059 -0.082 0.000 0.925 323 L HN 0.423 nan 8.230 nan 0.000 0.446 324 R N -1.252 119.004 120.500 -0.407 0.000 3.251 324 R HA -0.144 4.196 4.340 -0.000 0.000 0.249 324 R C -2.296 173.728 176.300 -0.460 0.000 0.949 324 R CA -0.004 55.810 56.100 -0.477 0.000 0.645 324 R CB -2.255 27.884 30.300 -0.269 0.000 1.065 324 R HN 0.325 nan 8.270 nan 0.000 0.452 325 P HA 0.147 nan 4.420 nan 0.000 0.272 325 P C -0.449 176.751 177.300 -0.167 0.000 1.240 325 P CA 0.123 63.015 63.100 -0.347 0.000 0.791 325 P CB 0.777 32.219 31.700 -0.429 0.000 0.978 326 E N 0.773 121.008 120.200 0.059 0.000 2.283 326 E HA 0.460 4.810 4.350 -0.000 0.000 0.258 326 E C -0.942 175.837 176.600 0.298 0.000 0.893 326 E CA -0.370 56.078 56.400 0.080 0.000 0.798 326 E CB 0.975 30.684 29.700 0.016 0.000 1.242 326 E HN 0.417 nan 8.360 nan 0.000 0.414 327 F N 0.252 120.254 119.950 0.087 0.000 2.745 327 F HA 0.839 5.366 4.527 -0.000 0.000 0.316 327 F C -1.301 174.570 175.800 0.118 0.000 1.155 327 F CA -1.475 56.621 58.000 0.160 0.000 0.937 327 F CB 0.683 39.893 39.000 0.350 0.000 1.361 327 F HN 0.288 nan 8.300 nan 0.000 0.472 328 A N 1.455 124.399 122.820 0.207 0.000 2.312 328 A HA 0.829 5.149 4.320 -0.000 0.000 0.326 328 A C -0.977 176.624 177.584 0.028 0.000 1.172 328 A CA -0.696 51.366 52.037 0.042 0.000 0.821 328 A CB 0.517 19.554 19.000 0.061 0.000 1.166 328 A HN 0.721 nan 8.150 nan 0.000 0.493 329 I N 2.286 122.820 120.570 -0.060 0.000 2.465 329 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 329 I C -0.474 175.618 176.117 -0.041 0.000 1.014 329 I CA -0.862 60.398 61.300 -0.067 0.000 1.093 329 I CB 1.575 39.538 38.000 -0.063 0.000 1.267 329 I HN 0.642 nan 8.210 nan 0.000 0.431 330 H N 4.547 123.639 119.070 0.037 0.000 3.070 330 H HA 0.061 4.617 4.556 -0.000 0.000 0.313 330 H C 1.214 176.545 175.328 0.005 0.000 0.997 330 H CA 1.128 57.188 56.048 0.020 0.000 1.438 330 H CB 0.467 30.240 29.762 0.018 0.000 1.455 330 H HN 0.959 nan 8.280 nan 0.000 0.575 331 G N 2.538 111.423 108.800 0.141 0.000 2.176 331 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G C 0.070 174.995 174.900 0.042 0.000 0.979 331 G CA 0.254 45.396 45.100 0.069 0.000 0.641 331 G HN 0.574 nan 8.290 nan 0.000 0.530 332 V N 1.389 121.324 119.914 0.034 0.000 2.427 332 V HA 0.540 4.660 4.120 -0.000 0.000 0.286 332 V C 0.068 176.155 176.094 -0.011 0.000 1.034 332 V CA -0.820 61.489 62.300 0.015 0.000 0.893 332 V CB 1.767 33.590 31.823 0.001 0.000 0.982 332 V HN 0.320 nan 8.190 nan 0.000 0.452 333 N N 4.727 123.398 118.700 -0.050 0.000 2.623 333 N HA 0.398 5.138 4.740 -0.000 0.000 0.256 333 N C -2.665 172.719 175.510 -0.209 0.000 1.045 333 N CA -1.080 51.916 53.050 -0.089 0.000 0.863 333 N CB 2.168 40.615 38.487 -0.066 0.000 1.182 333 N HN 0.453 nan 8.380 nan 0.000 0.523 334 P HA 0.079 nan 4.420 nan 0.000 0.265 334 P C -0.530 176.677 177.300 -0.155 0.000 1.187 334 P CA 0.475 63.472 63.100 -0.172 0.000 0.766 334 P CB 0.683 32.360 31.700 -0.039 0.000 0.820 335 M N 4.556 124.083 119.600 -0.121 0.000 2.085 335 M HA 0.222 4.702 4.480 -0.000 0.000 0.309 335 M C -1.493 174.857 176.300 0.084 0.000 0.947 335 M CA -1.775 53.520 55.300 -0.009 0.000 0.918 335 M CB 2.085 34.700 32.600 0.026 0.000 1.504 335 M HN 0.244 nan 8.290 nan 0.000 0.420 336 P HA -0.170 nan 4.420 nan 0.000 0.218 336 P C 0.813 178.155 177.300 0.069 0.000 1.150 336 P CA 1.794 64.925 63.100 0.052 0.000 0.841 336 P CB 0.250 31.969 31.700 0.031 0.000 0.784 337 G N -0.869 107.979 108.800 0.081 0.000 2.669 337 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.250 337 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.250 337 G C -1.644 173.291 174.900 0.058 0.000 1.247 337 G CA 0.053 45.205 45.100 0.086 0.000 0.958 337 G HN 0.292 nan 8.290 nan 0.000 0.559 338 P HA 0.401 nan 4.420 nan 0.000 0.261 338 P C -0.048 177.297 177.300 0.076 0.000 1.297 338 P CA 0.531 63.665 63.100 0.056 0.000 0.757 338 P CB -0.264 31.460 31.700 0.039 0.000 1.149 339 L N -0.596 120.686 121.223 0.098 0.000 1.714 339 L HA -0.113 4.227 4.340 -0.000 0.000 0.484 339 L C 0.227 177.151 176.870 0.090 0.000 1.002 339 L CA 0.551 55.468 54.840 0.128 0.000 1.207 339 L CB -2.078 40.082 42.059 0.168 0.000 1.513 339 L HN 0.479 nan 8.230 nan 0.000 0.810 340 T N 0.057 114.652 114.554 0.067 0.000 2.864 340 T HA 0.660 5.010 4.350 -0.000 0.000 0.289 340 T C 0.917 175.615 174.700 -0.003 0.000 1.082 340 T CA -0.293 61.827 62.100 0.033 0.000 1.009 340 T CB 2.130 71.010 68.868 0.020 0.000 1.234 340 T HN 0.694 nan 8.240 nan 0.000 0.526 341 R N -0.005 120.489 120.500 -0.010 0.000 2.096 341 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 341 R C 2.387 178.640 176.300 -0.079 0.000 1.127 341 R CA 1.617 57.693 56.100 -0.040 0.000 0.968 341 R CB -0.952 29.335 30.300 -0.021 0.000 0.861 341 R HN 0.772 nan 8.270 nan 0.000 0.440 342 A N 1.072 123.860 122.820 -0.053 0.000 1.902 342 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 342 A C 2.131 179.665 177.584 -0.083 0.000 1.181 342 A CA 1.444 53.448 52.037 -0.055 0.000 0.623 342 A CB -0.469 18.515 19.000 -0.027 0.000 0.818 342 A HN 0.364 nan 8.150 nan 0.000 0.443 343 I N -0.408 120.113 120.570 -0.081 0.000 2.252 343 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 343 I C 2.977 178.886 176.117 -0.346 0.000 1.102 343 I CA 0.926 62.167 61.300 -0.097 0.000 1.385 343 I CB -0.376 37.631 38.000 0.012 0.000 1.064 343 I HN 0.366 nan 8.210 nan 0.000 0.414 344 A N 1.225 123.733 122.820 -0.520 0.000 1.858 344 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 344 A C 2.382 179.626 177.584 -0.566 0.000 1.190 344 A CA 2.143 53.525 52.037 -1.093 0.000 0.617 344 A CB -0.703 17.941 19.000 -0.592 0.000 0.827 344 A HN 0.383 nan 8.150 nan 0.000 0.443 345 R N 0.002 120.342 120.500 -0.268 0.000 2.091 345 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 345 R C 2.047 178.323 176.300 -0.040 0.000 1.136 345 R CA 1.899 57.920 56.100 -0.131 0.000 0.959 345 R CB -0.577 29.654 30.300 -0.114 0.000 0.856 345 R HN 0.385 nan 8.270 nan 0.000 0.437 346 A N 0.203 122.971 122.820 -0.086 0.000 2.067 346 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 346 A C 2.241 179.814 177.584 -0.019 0.000 1.158 346 A CA 1.335 53.352 52.037 -0.033 0.000 0.661 346 A CB -0.638 18.346 19.000 -0.027 0.000 0.801 346 A HN 0.551 nan 8.150 nan 0.000 0.452 347 A N -1.830 120.914 122.820 -0.126 0.000 2.167 347 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 347 A C 1.006 178.505 177.584 -0.142 0.000 1.151 347 A CA 0.390 52.324 52.037 -0.171 0.000 0.735 347 A CB -0.535 18.179 19.000 -0.477 0.000 0.802 347 A HN 0.505 nan 8.150 nan 0.000 0.467 348 Y N 0.047 120.299 120.300 -0.080 0.000 2.873 348 Y HA 0.388 4.938 4.550 -0.000 0.000 0.375 348 Y C 0.698 176.633 175.900 0.058 0.000 1.070 348 Y CA 0.029 58.160 58.100 0.051 0.000 1.644 348 Y CB -0.933 37.530 38.460 0.004 0.000 1.495 348 Y HN 0.031 nan 8.280 nan 0.000 0.494 349 V N 0.000 119.997 119.914 0.138 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.357 62.300 0.095 0.000 1.235 349 V CB 0.000 31.876 31.823 0.088 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556