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_6 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 0.023 120.376 120.400 -0.080 0.000 2.149 2 D HA -0.017 4.624 4.640 0.001 0.000 0.201 2 D C 1.613 177.798 176.300 -0.192 0.000 0.972 2 D CA 2.246 56.175 54.000 -0.118 0.000 0.835 2 D CB -0.015 40.718 40.800 -0.112 0.000 0.966 2 D HN 0.654 nan 8.370 nan 0.000 0.476 3 T N -0.463 113.975 114.554 -0.193 0.000 2.788 3 T HA -0.085 4.266 4.350 0.001 0.000 0.268 3 T C 2.275 176.884 174.700 -0.151 0.000 1.044 3 T CA 0.569 62.508 62.100 -0.269 0.000 1.139 3 T CB -0.415 68.402 68.868 -0.086 0.000 0.867 3 T HN 0.145 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 3.987 4.170 0.001 0.000 0.243 4 I C 3.211 179.297 176.117 -0.051 0.000 1.085 4 I CA 1.480 62.760 61.300 -0.033 0.000 1.347 4 I CB -0.799 37.190 38.000 -0.019 0.000 1.044 4 I HN 0.331 nan 8.210 nan 0.000 0.408 5 A N 0.852 123.624 122.820 -0.080 0.000 1.898 5 A HA -0.112 4.208 4.320 0.001 0.000 0.216 5 A C 2.581 180.110 177.584 -0.092 0.000 1.181 5 A CA 1.736 53.726 52.037 -0.077 0.000 0.620 5 A CB -0.782 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 -0.121 122.596 122.820 -0.173 0.000 1.940 6 A HA -0.203 4.117 4.320 0.001 0.000 0.219 6 A C 2.256 179.815 177.584 -0.043 0.000 1.176 6 A CA 1.688 53.599 52.037 -0.210 0.000 0.631 6 A CB -0.456 18.172 19.000 -0.619 0.000 0.814 6 A HN 0.577 nan 8.150 nan 0.000 0.446 7 R N -0.705 119.793 120.500 -0.003 0.000 2.066 7 R HA -0.016 4.325 4.340 0.001 0.000 0.232 7 R C 2.568 178.892 176.300 0.040 0.000 1.131 7 R CA 1.154 57.307 56.100 0.089 0.000 0.955 7 R CB -0.501 29.862 30.300 0.105 0.000 0.851 7 R HN 0.497 nan 8.270 nan 0.000 0.432 8 A N 1.317 124.140 122.820 0.006 0.000 1.883 8 A HA -0.186 4.135 4.320 0.001 0.000 0.217 8 A C 2.089 179.665 177.584 -0.013 0.000 1.186 8 A CA 1.207 53.237 52.037 -0.012 0.000 0.624 8 A CB -0.546 18.442 19.000 -0.021 0.000 0.822 8 A HN 0.186 nan 8.150 nan 0.000 0.444 9 L N -0.297 120.921 121.223 -0.009 0.000 2.017 9 L HA -0.134 4.207 4.340 0.001 0.000 0.208 9 L C 2.651 179.531 176.870 0.016 0.000 1.073 9 L CA 2.677 57.516 54.840 -0.001 0.000 0.745 9 L CB -1.052 41.004 42.059 -0.005 0.000 0.894 9 L HN 0.413 nan 8.230 nan 0.000 0.432 10 T N -1.335 113.243 114.554 0.039 0.000 2.684 10 T HA -0.185 4.166 4.350 0.001 0.000 0.267 10 T C 1.952 176.668 174.700 0.027 0.000 1.036 10 T CA 1.760 63.893 62.100 0.055 0.000 1.148 10 T CB -0.378 68.552 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 3.941 4.120 0.001 0.000 0.247 11 V C 2.488 178.565 176.094 -0.029 0.000 1.051 11 V CA 1.668 63.959 62.300 -0.014 0.000 1.036 11 V CB -0.642 31.160 31.823 -0.035 0.000 0.654 11 V HN 0.500 nan 8.190 nan 0.000 0.451 12 M N -0.574 119.009 119.600 -0.029 0.000 2.132 12 M HA -0.149 4.332 4.480 0.001 0.000 0.263 12 M C 2.428 178.722 176.300 -0.010 0.000 1.065 12 M CA 1.762 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 0.344 120.844 120.500 0.000 0.000 2.115 13 R HA -0.027 4.314 4.340 0.001 0.000 0.230 13 R C 2.354 178.656 176.300 0.002 0.000 1.111 13 R CA 1.247 57.351 56.100 0.006 0.000 0.976 13 R CB -0.495 29.814 30.300 0.015 0.000 0.870 13 R HN 0.365 nan 8.270 nan 0.000 0.445 14 A N 0.729 123.548 122.820 -0.001 0.000 1.898 14 A HA -0.143 4.178 4.320 0.001 0.000 0.216 14 A C 2.303 179.881 177.584 -0.011 0.000 1.181 14 A CA 1.179 53.214 52.037 -0.005 0.000 0.620 14 A CB -0.685 18.311 19.000 -0.006 0.000 0.819 14 A HN 0.422 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 0.001 0.000 0.281 15 C C 3.053 178.037 174.990 -0.011 0.000 1.336 15 C CA 0.559 59.566 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 -0.369 122.447 122.820 -0.005 0.000 2.209 16 A HA -0.073 4.248 4.320 0.001 0.000 0.212 16 A C 2.075 179.653 177.584 -0.011 0.000 1.158 16 A CA 1.700 53.734 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 0.037 114.585 114.554 -0.010 0.000 3.014 17 T HA 0.048 4.399 4.350 0.001 0.000 0.263 17 T C 0.606 175.298 174.700 -0.015 0.000 1.078 17 T CA 0.373 62.467 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 2.968 124.181 121.223 -0.017 0.000 2.869 18 L HA 0.179 4.520 4.340 0.001 0.000 0.240 18 L C 1.615 178.469 176.870 -0.026 0.000 1.448 18 L CA 0.580 55.408 54.840 -0.021 0.000 1.158 18 L CB -1.252 40.793 42.059 -0.023 0.000 1.497 18 L HN 0.208 nan 8.230 nan 0.000 0.447 19 Q N 0.196 119.981 119.800 -0.024 0.000 2.124 19 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 19 Q C 1.001 176.983 176.000 -0.029 0.000 0.977 19 Q CA 1.428 57.215 55.803 -0.028 0.000 0.850 19 Q CB 0.448 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 -3.018 117.168 120.200 -0.024 0.000 2.459 20 E HA 0.457 4.808 4.350 0.001 0.000 0.275 20 E C -0.302 176.285 176.600 -0.021 0.000 0.987 20 E CA 0.153 56.539 56.400 -0.023 0.000 0.828 20 E CB 0.991 30.679 29.700 -0.020 0.000 1.428 20 E HN 0.006 nan 8.360 nan 0.000 0.457 21 A N 1.233 124.041 122.820 -0.020 0.000 1.854 21 A HA -0.143 4.178 4.320 0.001 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 -0.476 18.514 19.000 -0.016 0.000 0.832 21 A HN 0.608 nan 8.150 nan 0.000 0.442 22 R N -0.031 120.461 120.500 -0.012 0.000 2.317 22 R HA 0.245 4.586 4.340 0.001 0.000 0.208 22 R C 0.321 176.615 176.300 -0.010 0.000 0.914 22 R CA 0.010 56.104 56.100 -0.010 0.000 1.060 22 R CB -0.926 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 0.280 120.843 120.570 -0.011 0.000 3.045 23 I HA 0.018 4.189 4.170 0.001 0.000 0.288 23 I C 0.438 176.550 176.117 -0.009 0.000 1.238 23 I CA -1.084 60.211 61.300 -0.010 0.000 1.396 23 I CB 0.362 38.355 38.000 -0.011 0.000 1.355 23 I HN -0.074 nan 8.210 nan 0.000 0.601 24 V N 4.378 124.288 119.914 -0.008 0.000 2.394 24 V HA 0.533 4.654 4.120 0.001 0.000 0.282 24 V C -0.125 175.964 176.094 -0.007 0.000 1.031 24 V CA -0.838 61.458 62.300 -0.007 0.000 0.881 24 V CB 1.180 32.999 31.823 -0.006 0.000 0.982 24 V HN 0.678 nan 8.190 nan 0.000 0.451 25 L N 3.758 124.976 121.223 -0.007 0.000 2.417 25 L HA 0.416 4.756 4.340 0.001 0.000 0.268 25 L C 0.765 177.631 176.870 -0.006 0.000 1.158 25 L CA 0.418 55.254 54.840 -0.007 0.000 0.819 25 L CB 0.709 42.764 42.059 -0.008 0.000 1.112 25 L HN 1.002 nan 8.230 nan 0.000 0.458 26 E N 1.231 121.428 120.200 -0.006 0.000 2.392 26 E HA 0.109 4.460 4.350 0.001 0.000 0.264 26 E C 0.760 177.356 176.600 -0.006 0.000 1.024 26 E CA 0.179 56.576 56.400 -0.006 0.000 0.903 26 E CB 1.137 30.834 29.700 -0.005 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 0.001 0.000 0.217 27 A C 2.018 179.597 177.584 -0.009 0.000 1.186 27 A CA 1.944 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 0.133 118.828 118.700 -0.009 0.000 2.060 28 N HA -0.194 4.547 4.740 0.001 0.000 0.195 28 N C 1.725 177.230 175.510 -0.008 0.000 1.028 28 N CA 2.290 55.334 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 1.556 121.467 119.914 -0.006 0.000 2.295 29 V HA -0.235 3.886 4.120 0.001 0.000 0.246 29 V C 2.561 178.651 176.094 -0.006 0.000 1.049 29 V CA 1.747 64.044 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 -0.507 119.089 119.600 -0.007 0.000 2.175 30 M HA -0.186 4.295 4.480 0.001 0.000 0.264 30 M C 2.292 178.588 176.300 -0.006 0.000 1.063 30 M CA 1.845 57.142 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 0.001 0.000 0.193 31 E C 1.789 178.384 176.600 -0.008 0.000 0.989 31 E CA 1.356 57.750 56.400 -0.010 0.000 0.800 31 E CB -0.041 29.650 29.700 -0.015 0.000 0.746 31 E HN 0.512 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 3.908 4.170 0.001 0.000 0.240 32 I C 2.506 178.623 176.117 0.000 0.000 1.084 32 I CA 0.744 62.042 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 0.441 121.662 121.223 -0.003 0.000 2.079 33 L HA -0.170 4.171 4.340 0.001 0.000 0.210 33 L C 2.658 179.530 176.870 0.003 0.000 1.081 33 L CA 1.595 56.432 54.840 -0.005 0.000 0.752 33 L CB -1.302 40.751 42.059 -0.009 0.000 0.896 33 L HN 0.371 nan 8.230 nan 0.000 0.433 34 G N 0.817 109.619 108.800 0.003 0.000 2.480 34 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 34 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 34 G C 1.517 176.425 174.900 0.013 0.000 1.200 34 G CA 1.013 46.117 45.100 0.007 0.000 0.782 34 G HN 0.312 nan 8.290 nan 0.000 0.554 35 I N 1.472 122.049 120.570 0.011 0.000 2.179 35 I HA -0.175 3.995 4.170 0.001 0.000 0.242 35 I C 3.328 179.463 176.117 0.031 0.000 1.088 35 I CA 1.120 62.430 61.300 0.017 0.000 1.357 35 I CB -0.506 37.501 38.000 0.011 0.000 1.051 35 I HN 0.253 nan 8.210 nan 0.000 0.409 36 A N 1.446 124.284 122.820 0.030 0.000 1.858 36 A HA -0.159 4.162 4.320 0.001 0.000 0.216 36 A C 2.338 179.966 177.584 0.073 0.000 1.190 36 A CA 1.582 53.645 52.037 0.043 0.000 0.617 36 A CB -0.877 18.133 19.000 0.015 0.000 0.827 36 A HN 0.388 nan 8.150 nan 0.000 0.443 37 I N -0.275 120.327 120.570 0.054 0.000 2.286 37 I HA -0.251 3.919 4.170 0.001 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 0.090 0.000 1.392 37 I CB -0.466 37.562 38.000 0.047 0.000 1.065 37 I HN 0.525 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 -0.182 4.558 4.740 0.001 0.000 0.189 38 N C 2.108 177.648 175.510 0.050 0.000 1.036 38 N CA 1.218 54.296 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 -0.022 nan 8.380 nan 0.000 0.423 39 R N -0.321 120.216 120.500 0.062 0.000 2.083 39 R HA -0.163 4.178 4.340 0.001 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 -1.281 29.058 30.300 0.064 0.000 0.851 39 R HN 0.462 nan 8.270 nan 0.000 0.434 40 Y N 1.729 122.021 120.300 -0.013 0.000 2.070 40 Y HA -0.244 4.306 4.550 0.001 0.000 0.280 40 Y C 1.883 177.759 175.900 -0.040 0.000 1.148 40 Y CA 2.109 60.196 58.100 -0.022 0.000 1.125 40 Y CB -0.679 37.770 38.460 -0.017 0.000 0.975 40 Y HN 0.197 nan 8.280 nan 0.000 0.492 41 N N -0.593 118.088 118.700 -0.031 0.000 2.205 41 N HA -0.179 4.562 4.740 0.001 0.000 0.186 41 N C 1.963 177.383 175.510 -0.150 0.000 1.015 41 N CA 0.763 53.742 53.050 -0.119 0.000 0.862 41 N CB -0.507 37.983 38.487 0.004 0.000 0.986 41 N HN 0.535 nan 8.380 nan 0.000 0.429 42 G N 1.042 109.785 108.800 -0.095 0.000 2.404 42 G HA2 -0.151 3.810 3.960 0.001 0.000 0.215 42 G HA3 -0.151 3.810 3.960 0.001 0.000 0.215 42 G C 1.362 176.195 174.900 -0.111 0.000 1.174 42 G CA 0.336 45.386 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 4.443 4.340 0.001 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 0.147 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 -1.126 113.225 114.554 -0.339 0.000 3.018 44 T HA 0.157 4.508 4.350 0.001 0.000 0.246 44 T C 0.669 175.141 174.700 -0.379 0.000 1.026 44 T CA -0.141 61.674 62.100 -0.475 0.000 1.081 44 T CB 0.520 68.812 68.868 -0.960 0.000 0.970 44 T HN 0.021 nan 8.240 nan 0.000 0.475 45 L N 1.116 122.170 121.223 -0.281 0.000 4.406 45 L HA -0.119 4.221 4.340 0.001 0.000 0.406 45 L C 0.459 177.229 176.870 -0.166 0.000 1.133 45 L CA 0.685 55.420 54.840 -0.175 0.000 0.974 45 L CB -1.812 40.176 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 -0.226 0.000 2.549 46 R HA 0.742 5.083 4.340 0.001 0.000 0.259 46 R C 0.971 177.255 176.300 -0.025 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 4.259 3.960 0.001 0.000 0.318 47 G HA3 0.298 4.259 3.960 0.001 0.000 0.318 47 G C -0.486 174.450 174.900 0.059 0.000 1.435 47 G CA -0.320 44.802 45.100 0.037 0.000 0.965 47 G HN 0.228 nan 8.290 nan 0.000 0.542 48 V N 1.366 121.337 119.914 0.095 0.000 2.637 48 V HA 0.301 4.421 4.120 0.001 0.000 0.296 48 V C 0.815 176.937 176.094 0.045 0.000 1.046 48 V CA 0.213 62.561 62.300 0.081 0.000 1.066 48 V CB 1.111 33.004 31.823 0.117 0.000 0.968 48 V HN 0.478 nan 8.190 nan 0.000 0.483 49 T N 5.619 120.186 114.554 0.022 0.000 2.934 49 T HA 0.385 4.736 4.350 0.001 0.000 0.283 49 T C 1.135 175.838 174.700 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 70.353 68.868 0.004 0.000 1.042 49 T HN 0.516 nan 8.240 nan 0.000 0.505 50 M N 0.315 119.916 119.600 0.002 0.000 2.349 50 M HA 0.118 4.598 4.480 0.001 0.000 0.266 50 M C 1.100 177.394 176.300 -0.009 0.000 1.076 50 M CA 1.147 56.444 55.300 -0.004 0.000 1.126 50 M CB 0.062 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 1.166 121.660 120.500 -0.009 0.000 2.443 51 R HA 0.316 4.657 4.340 0.001 0.000 0.287 51 R C -2.772 173.520 176.300 -0.014 0.000 1.425 51 R CA -1.692 54.401 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 1.633 33.313 31.700 -0.033 0.000 0.864 53 T N -1.882 112.658 114.554 -0.023 0.000 3.221 53 T HA 0.095 4.446 4.350 0.001 0.000 0.250 53 T C 0.875 175.559 174.700 -0.026 0.000 0.988 53 T CA 0.138 62.224 62.100 -0.023 0.000 1.163 53 T CB -0.741 68.117 68.868 -0.016 0.000 1.098 53 T HN 0.436 nan 8.240 nan 0.000 0.422 54 S N 1.950 117.638 115.700 -0.021 0.000 2.600 54 S HA 0.362 4.833 4.470 0.001 0.000 0.265 54 S C 1.264 175.846 174.600 -0.031 0.000 1.325 54 S CA -0.574 57.614 58.200 -0.020 0.000 1.002 54 S CB 0.835 64.029 63.200 -0.010 0.000 0.921 54 S HN 0.338 nan 8.310 nan 0.000 0.554 55 L N 1.705 122.910 121.223 -0.029 0.000 2.083 55 L HA 0.055 4.396 4.340 0.001 0.000 0.209 55 L C 2.541 179.386 176.870 -0.040 0.000 1.083 55 L CA 2.373 57.189 54.840 -0.040 0.000 0.752 55 L CB -1.497 40.548 42.059 -0.024 0.000 0.899 55 L HN 0.925 nan 8.230 nan 0.000 0.433 56 A N -1.100 121.711 122.820 -0.016 0.000 1.972 56 A HA -0.247 4.074 4.320 0.001 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 -0.958 118.825 119.800 -0.028 0.000 2.123 57 Q HA -0.056 4.284 4.340 0.001 0.000 0.199 57 Q C 2.334 178.298 176.000 -0.060 0.000 0.966 57 Q CA 1.012 56.797 55.803 -0.030 0.000 0.845 57 Q CB -0.087 28.639 28.738 -0.020 0.000 0.907 57 Q HN 0.612 nan 8.270 nan 0.000 0.439 58 R N 0.452 120.904 120.500 -0.079 0.000 2.075 58 R HA -0.070 4.271 4.340 0.001 0.000 0.232 58 R C 1.898 178.096 176.300 -0.170 0.000 1.126 58 R CA 1.166 57.204 56.100 -0.103 0.000 0.963 58 R CB -0.154 30.081 30.300 -0.108 0.000 0.858 58 R HN 0.247 nan 8.270 nan 0.000 0.435 59 N N 0.896 119.447 118.700 -0.248 0.000 2.069 59 N HA -0.199 4.541 4.740 0.001 0.000 0.191 59 N C 1.668 176.712 175.510 -0.777 0.000 1.031 59 N CA 1.305 54.013 53.050 -0.571 0.000 0.852 59 N CB -0.252 37.950 38.487 -0.474 0.000 1.018 59 N HN 0.227 nan 8.380 nan 0.000 0.423 60 E N 0.588 120.601 120.200 -0.313 0.000 2.085 60 E HA -0.108 4.243 4.350 0.001 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 29.598 29.700 0.041 0.000 0.743 60 E HN 0.326 nan 8.360 nan 0.000 0.453 61 M N -0.856 118.695 119.600 -0.082 0.000 2.132 61 M HA -0.084 4.397 4.480 0.001 0.000 0.263 61 M C 1.811 178.049 176.300 -0.103 0.000 1.065 61 M CA 1.294 56.549 55.300 -0.074 0.000 1.122 61 M CB -0.137 32.430 32.600 -0.055 0.000 1.365 61 M HN 0.259 nan 8.290 nan 0.000 0.411 62 F N 0.791 120.597 119.950 -0.240 0.000 2.134 62 F HA -0.229 4.299 4.527 0.001 0.000 0.299 62 F C 1.431 177.168 175.800 -0.104 0.000 1.097 62 F CA 1.636 59.511 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 -0.043 119.798 119.950 -0.182 0.000 2.269 63 F HA -0.194 4.333 4.527 0.001 0.000 0.301 63 F C 2.535 178.250 175.800 -0.142 0.000 1.082 63 F CA 1.249 59.135 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 -1.091 118.482 119.600 -0.045 0.000 2.132 64 M HA -0.203 4.278 4.480 0.001 0.000 0.263 64 M C 2.182 178.260 176.300 -0.369 0.000 1.065 64 M CA 1.719 56.782 55.300 -0.395 0.000 1.122 64 M CB -0.454 31.740 32.600 -0.678 0.000 1.365 64 M HN 0.178 nan 8.290 nan 0.000 0.411 65 C N 0.405 119.497 119.300 -0.346 0.000 2.446 65 C HA -0.124 4.336 4.460 0.001 0.000 0.277 65 C C 2.576 177.374 174.990 -0.319 0.000 1.275 65 C CA 0.585 59.410 59.018 -0.321 0.000 1.727 65 C CB -1.216 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 1.440 122.375 121.223 -0.480 0.000 2.012 66 L HA -0.143 4.198 4.340 0.001 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 -1.093 40.616 42.059 -0.584 0.000 0.891 66 L HN 0.270 nan 8.230 nan 0.000 0.431 67 D N -0.881 119.531 120.400 0.020 0.000 2.123 67 D HA -0.215 4.426 4.640 0.001 0.000 0.196 67 D C 2.264 178.607 176.300 0.072 0.000 0.992 67 D CA 1.716 55.811 54.000 0.158 0.000 0.833 67 D CB -0.094 40.893 40.800 0.313 0.000 0.954 67 D HN 0.396 nan 8.370 nan 0.000 0.455 68 M N -0.419 119.174 119.600 -0.012 0.000 2.175 68 M HA -0.109 4.372 4.480 0.001 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 1.023 120.596 119.600 -0.045 0.000 2.067 69 M HA -0.170 4.310 4.480 0.001 0.000 0.260 69 M C 1.975 178.266 176.300 -0.015 0.000 1.069 69 M CA 1.952 57.232 55.300 -0.033 0.000 1.117 69 M CB -0.598 31.977 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 -0.202 4.139 4.340 0.001 0.000 0.208 70 L C 2.429 179.308 176.870 0.016 0.000 1.077 70 L CA 1.299 56.147 54.840 0.013 0.000 0.747 70 L CB -0.873 41.211 42.059 0.042 0.000 0.896 70 L HN 0.290 nan 8.230 nan 0.000 0.432 71 S N -0.041 115.675 115.700 0.027 0.000 2.368 71 S HA -0.111 4.360 4.470 0.001 0.000 0.224 71 S C 2.204 176.809 174.600 0.009 0.000 1.029 71 S CA 1.136 59.352 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 1.245 124.066 122.820 0.001 0.000 1.969 72 A HA 0.240 4.560 4.320 0.001 0.000 0.218 72 A C 2.204 179.777 177.584 -0.019 0.000 1.169 72 A CA 1.458 53.487 52.037 -0.013 0.000 0.635 72 A CB -0.728 18.259 19.000 -0.022 0.000 0.810 72 A HN 0.500 nan 8.150 nan 0.000 0.445 73 A N -1.833 120.977 122.820 -0.016 0.000 2.123 73 A HA 0.396 4.717 4.320 0.001 0.000 0.214 73 A C 1.838 179.414 177.584 -0.014 0.000 1.152 73 A CA 1.269 53.295 52.037 -0.020 0.000 0.728 73 A CB -0.822 18.166 19.000 -0.020 0.000 0.814 73 A HN 1.869 nan 8.150 nan 0.000 0.464 74 G N -0.967 107.829 108.800 -0.007 0.000 2.147 74 G HA2 -0.216 3.745 3.960 0.001 0.000 0.244 74 G HA3 -0.216 3.745 3.960 0.001 0.000 0.244 74 G C 0.036 174.934 174.900 -0.003 0.000 1.005 74 G CA 0.374 45.472 45.100 -0.004 0.000 0.713 74 G HN 0.473 nan 8.290 nan 0.000 0.515 75 I N 0.205 120.775 120.570 -0.001 0.000 2.498 75 I HA 0.338 4.509 4.170 0.001 0.000 0.301 75 I C 0.420 176.540 176.117 0.005 0.000 0.984 75 I CA -0.782 60.517 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 4.370 123.071 118.700 0.002 0.000 2.569 76 N HA 0.229 4.970 4.740 0.001 0.000 0.254 76 N C 0.671 176.183 175.510 0.003 0.000 1.004 76 N CA -0.446 52.604 53.050 0.001 0.000 0.904 76 N CB 1.497 39.978 38.487 -0.009 0.000 1.165 76 N HN 0.507 nan 8.380 nan 0.000 0.513 77 V N 1.809 121.734 119.914 0.019 0.000 2.594 77 V HA 0.192 4.312 4.120 0.001 0.000 0.253 77 V C 1.323 177.428 176.094 0.018 0.000 1.069 77 V CA 1.073 63.388 62.300 0.025 0.000 1.082 77 V CB -1.756 30.105 31.823 0.064 0.000 0.680 77 V HN 0.864 nan 8.190 nan 0.000 0.469 78 G N 1.008 109.810 108.800 0.004 0.000 2.757 78 G HA2 -0.114 3.847 3.960 0.001 0.000 0.638 78 G HA3 -0.114 3.847 3.960 0.001 0.000 0.638 78 G C -2.443 172.461 174.900 0.007 0.000 1.344 78 G CA -0.330 44.768 45.100 -0.002 0.000 0.855 78 G HN 0.550 nan 8.290 nan 0.000 0.537 79 P HA 0.253 nan 4.420 nan 0.000 0.256 79 P C 1.218 178.598 177.300 0.133 0.000 1.688 79 P CA 0.084 63.215 63.100 0.051 0.000 1.162 79 P CB -0.642 31.094 31.700 0.060 0.000 1.870 80 I N -0.649 119.973 120.570 0.088 0.000 3.860 80 I HA 0.244 4.415 4.170 0.001 0.000 0.319 80 I C 0.373 176.435 176.117 -0.091 0.000 1.279 80 I CA -0.066 61.282 61.300 0.081 0.000 1.220 80 I CB 0.257 38.303 38.000 0.077 0.000 1.027 80 I HN 0.109 nan 8.210 nan 0.000 0.428 81 S N 1.344 116.962 115.700 -0.136 0.000 2.533 81 S HA 0.501 4.972 4.470 0.001 0.000 0.271 81 S C -2.275 172.210 174.600 -0.192 0.000 1.143 81 S CA -0.859 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 0.189 nan 4.420 nan 0.000 0.240 82 P C 0.001 177.311 177.300 0.017 0.000 1.190 82 P CA 0.607 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 -1.854 118.576 120.400 0.050 0.000 2.388 83 D HA 0.039 4.680 4.640 0.001 0.000 0.208 83 D C 0.149 176.397 176.300 -0.087 0.000 1.035 83 D CA 0.487 54.545 54.000 0.097 0.000 0.875 83 D CB 0.024 41.003 40.800 0.298 0.000 0.984 83 D HN 0.221 nan 8.370 nan 0.000 0.508 84 Y N 0.695 120.777 120.300 -0.363 0.000 2.425 84 Y HA 0.473 5.024 4.550 0.001 0.000 0.344 84 Y C -1.243 174.430 175.900 -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 39.748 38.460 -1.070 0.000 1.215 84 Y HN -0.361 nan 8.280 nan 0.000 0.451 85 T N 6.384 120.254 114.554 -1.141 0.000 2.881 85 T HA 0.196 4.546 4.350 0.001 0.000 0.291 85 T C -1.029 172.837 174.700 -1.390 0.000 0.990 85 T CA -0.722 60.776 62.100 -1.003 0.000 0.976 85 T CB 1.307 69.834 68.868 -0.568 0.000 0.970 85 T HN 0.746 nan 8.240 nan 0.000 0.438 86 Q N 2.968 122.088 119.800 -1.134 0.000 2.300 86 Q HA 0.038 4.379 4.340 0.001 0.000 0.280 86 Q C -0.680 174.959 176.000 -0.602 0.000 1.033 86 Q CA 0.047 55.451 55.803 -0.665 0.000 0.903 86 Q CB 0.419 29.030 28.738 -0.212 0.000 1.195 86 Q HN 0.617 nan 8.270 nan 0.000 0.386 87 H N 6.476 125.479 119.070 -0.111 0.000 2.685 87 H HA 0.111 4.667 4.556 0.001 0.000 0.286 87 H C 0.566 175.882 175.328 -0.019 0.000 1.102 87 H CA -0.487 55.521 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 1.412 121.018 119.600 0.010 0.000 2.358 88 M HA -0.084 4.396 4.480 0.001 0.000 0.264 88 M C 2.146 178.470 176.300 0.041 0.000 1.064 88 M CA 0.668 55.979 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 0.581 nan 8.290 nan 0.000 0.440 89 A N 0.102 122.951 122.820 0.049 0.000 2.178 89 A HA -0.085 4.236 4.320 0.001 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 0.030 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 0.235 114.848 114.554 0.099 0.000 2.822 90 T HA -0.192 4.159 4.350 0.001 0.000 0.270 90 T C 1.708 176.469 174.700 0.102 0.000 1.064 90 T CA 1.531 63.722 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 1.687 122.297 120.570 0.068 0.000 2.264 91 I HA -0.041 4.130 4.170 0.001 0.000 0.248 91 I C 2.394 178.536 176.117 0.042 0.000 1.111 91 I CA 1.215 62.543 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 -0.511 108.313 108.800 0.039 0.000 2.408 92 G HA2 -0.144 3.816 3.960 0.001 0.000 0.217 92 G HA3 -0.144 3.816 3.960 0.001 0.000 0.217 92 G C 1.648 176.573 174.900 0.042 0.000 1.150 92 G CA 0.952 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 0.928 120.879 119.914 0.061 0.000 2.261 93 V HA -0.116 4.005 4.120 0.001 0.000 0.246 93 V C 2.744 178.884 176.094 0.076 0.000 1.047 93 V CA 1.153 63.502 62.300 0.083 0.000 1.015 93 V CB -0.460 31.455 31.823 0.153 0.000 0.642 93 V HN 0.218 nan 8.190 nan 0.000 0.446 94 L N 0.259 121.526 121.223 0.073 0.000 2.265 94 L HA 0.016 4.357 4.340 0.001 0.000 0.215 94 L C 2.240 179.143 176.870 0.054 0.000 1.117 94 L CA 1.878 56.753 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 -2.162 120.687 122.820 0.047 0.000 2.275 95 A HA 0.101 4.422 4.320 0.001 0.000 0.212 95 A C 0.981 178.593 177.584 0.046 0.000 1.201 95 A CA 0.021 52.083 52.037 0.042 0.000 0.843 95 A CB -0.616 18.402 19.000 0.030 0.000 0.873 95 A HN 0.275 nan 8.150 nan 0.000 0.492 96 T N 3.222 117.806 114.554 0.050 0.000 2.738 96 T HA 0.233 4.584 4.350 0.001 0.000 0.293 96 T C -1.498 173.234 174.700 0.053 0.000 0.913 96 T CA -0.718 61.409 62.100 0.044 0.000 1.103 96 T CB 0.996 69.889 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 0.655 177.971 177.300 0.028 0.000 1.158 97 P CA 0.791 63.921 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 -0.363 119.850 120.200 0.022 0.000 2.385 98 E HA 0.104 4.455 4.350 0.001 0.000 0.194 98 E C 0.869 177.472 176.600 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 3.893 124.479 120.570 0.026 0.000 2.379 99 I HA 0.137 4.308 4.170 0.001 0.000 0.290 99 I C -2.030 174.101 176.117 0.024 0.000 1.063 99 I CA -1.957 59.361 61.300 0.031 0.000 1.351 99 I CB 0.505 38.539 38.000 0.058 0.000 1.410 99 I HN -0.110 nan 8.210 nan 0.000 0.505 100 P HA 0.278 nan 4.420 nan 0.000 0.279 100 P C -1.093 176.182 177.300 -0.040 0.000 1.252 100 P CA -0.219 62.799 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 5.190 4.527 0.001 0.000 0.325 101 F C 0.397 176.198 175.800 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 -1.885 112.806 114.554 0.229 0.000 2.849 102 T HA 0.203 4.553 4.350 0.001 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 1.343 115.967 114.554 0.117 0.000 2.720 103 T HA -0.119 4.231 4.350 0.001 0.000 0.268 103 T C 1.780 176.542 174.700 0.103 0.000 1.037 103 T CA 1.921 64.089 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 1.447 121.695 120.200 0.080 0.000 2.038 104 E HA -0.022 4.329 4.350 0.001 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 0.953 123.825 122.820 0.087 0.000 1.902 105 A HA -0.114 4.207 4.320 0.001 0.000 0.217 105 A C 2.364 179.960 177.584 0.019 0.000 1.181 105 A CA 2.136 54.209 52.037 0.060 0.000 0.623 105 A CB -0.926 18.117 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 0.063 0.000 1.858 106 A HA -0.210 4.111 4.320 0.001 0.000 0.216 106 A C 1.996 179.581 177.584 0.001 0.000 1.190 106 A CA 1.637 53.663 52.037 -0.017 0.000 0.617 106 A CB -0.712 18.403 19.000 0.192 0.000 0.827 106 A HN 0.617 nan 8.150 nan 0.000 0.443 107 N N -0.545 118.182 118.700 0.046 0.000 2.166 107 N HA -0.185 4.556 4.740 0.001 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 1.008 121.248 120.200 0.066 0.000 2.072 108 E HA -0.125 4.226 4.350 0.001 0.000 0.191 108 E C 1.824 178.490 176.600 0.111 0.000 0.985 108 E CA 0.783 57.264 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 1.496 122.077 120.570 0.018 0.000 2.315 109 I HA -0.158 4.012 4.170 0.001 0.000 0.248 109 I C 2.575 178.682 176.117 -0.016 0.000 1.117 109 I CA 1.220 62.503 61.300 -0.029 0.000 1.404 109 I CB -1.605 36.335 38.000 -0.101 0.000 1.071 109 I HN 0.211 nan 8.210 nan 0.000 0.419 110 A N 0.806 123.620 122.820 -0.010 0.000 1.933 110 A HA -0.244 4.077 4.320 0.001 0.000 0.218 110 A C 2.461 180.055 177.584 0.017 0.000 1.175 110 A CA 1.806 53.840 52.037 -0.006 0.000 0.628 110 A CB -0.513 18.486 19.000 -0.001 0.000 0.814 110 A HN 0.275 nan 8.150 nan 0.000 0.444 111 R N -0.143 120.392 120.500 0.057 0.000 2.070 111 R HA -0.079 4.261 4.340 0.001 0.000 0.233 111 R C 1.917 178.287 176.300 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 29.243 30.300 0.137 0.000 0.845 111 R HN 0.237 nan 8.270 nan 0.000 0.430 112 V N 0.131 120.124 119.914 0.132 0.000 2.282 112 V HA -0.314 3.807 4.120 0.001 0.000 0.249 112 V C 2.138 178.227 176.094 -0.009 0.000 1.057 112 V CA 2.496 64.819 62.300 0.039 0.000 1.032 112 V CB -0.783 31.001 31.823 -0.065 0.000 0.645 112 V HN 0.490 nan 8.190 nan 0.000 0.447 113 T N -0.053 114.488 114.554 -0.020 0.000 2.737 113 T HA -0.067 4.284 4.350 0.001 0.000 0.265 113 T C 1.881 176.551 174.700 -0.049 0.000 1.038 113 T CA 1.470 63.544 62.100 -0.043 0.000 1.144 113 T CB -0.612 68.229 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 3.716 3.960 0.001 0.000 0.216 114 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 114 G C 1.465 176.328 174.900 -0.062 0.000 1.171 114 G CA 1.442 46.518 45.100 -0.040 0.000 0.775 114 G HN 0.679 nan 8.290 nan 0.000 0.543 115 E N -0.388 119.787 120.200 -0.041 0.000 2.107 115 E HA -0.008 4.342 4.350 0.001 0.000 0.191 115 E C 2.191 178.714 176.600 -0.127 0.000 0.982 115 E CA 1.585 57.948 56.400 -0.061 0.000 0.809 115 E CB -1.034 28.660 29.700 -0.009 0.000 0.756 115 E HN 0.188 nan 8.360 nan 0.000 0.459 116 T N -0.015 114.472 114.554 -0.112 0.000 2.881 116 T HA -0.106 4.245 4.350 0.001 0.000 0.270 116 T C 1.673 176.222 174.700 -0.253 0.000 1.068 116 T CA 1.534 63.543 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 -0.789 114.762 115.700 -0.249 0.000 2.575 117 S HA 0.210 4.681 4.470 0.001 0.000 0.215 117 S C 0.839 175.129 174.600 -0.517 0.000 0.966 117 S CA -0.211 57.806 58.200 -0.305 0.000 0.911 117 S CB 0.256 63.355 63.200 -0.170 0.000 0.780 117 S HN 0.321 nan 8.310 nan 0.000 0.514 118 T N 0.011 114.204 114.554 -0.602 0.000 2.604 118 T HA 0.605 4.956 4.350 0.001 0.000 0.267 118 T C -1.958 172.182 174.700 -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 -0.211 0.000 1.392 118 T HN 0.432 nan 8.240 nan 0.000 0.531 119 W N -0.238 121.069 121.300 0.012 0.000 3.033 119 W HA 0.639 5.300 4.660 0.001 0.000 0.336 119 W C -0.148 176.379 176.519 0.012 0.000 1.173 119 W CA -0.956 56.397 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 1.917 110.845 108.800 0.214 0.000 2.673 120 G HA2 0.572 4.532 3.960 0.001 0.000 0.292 120 G HA3 0.572 4.532 3.960 0.001 0.000 0.292 120 G C -3.087 171.880 174.900 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 0.475 nan 4.420 nan 0.000 0.271 121 P C -0.464 176.871 177.300 0.058 0.000 1.216 121 P CA 0.076 63.224 63.100 0.081 0.000 0.771 121 P CB 1.676 33.428 31.700 0.086 0.000 0.864 122 A N 3.289 126.136 122.820 0.044 0.000 2.517 122 A HA 0.427 4.748 4.320 0.001 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 1.863 122.334 120.500 -0.048 0.000 2.446 123 R HA 0.120 4.461 4.340 0.001 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 0.329 30.529 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 4.424 4.340 0.001 0.000 0.244 124 Q C -1.280 174.554 176.000 -0.277 0.000 0.969 124 Q CA -1.531 54.039 55.803 -0.388 0.000 0.885 124 Q CB 0.631 28.932 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 -0.274 0.000 1.151 125 P CA 1.451 64.293 63.100 -0.430 0.000 0.828 125 P CB 0.280 31.485 31.700 -0.824 0.000 0.788 126 Y N 0.011 120.399 120.300 0.146 0.000 2.618 126 Y HA 0.589 5.140 4.550 0.001 0.000 0.326 126 Y C 1.631 177.702 175.900 0.285 0.000 1.168 126 Y CA -1.478 56.733 58.100 0.185 0.000 1.269 126 Y CB -0.538 38.021 38.460 0.164 0.000 1.388 126 Y HN -0.178 nan 8.280 nan 0.000 0.528 127 G N -0.084 108.985 108.800 0.448 0.000 2.432 127 G HA2 0.011 3.972 3.960 0.001 0.000 0.239 127 G HA3 0.011 3.972 3.960 0.001 0.000 0.239 127 G C 0.382 175.486 174.900 0.340 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 1.647 121.655 119.950 0.096 0.000 2.192 128 F HA -0.040 4.488 4.527 0.001 0.000 0.301 128 F C 1.424 176.924 175.800 -0.500 0.000 1.079 128 F CA 1.193 58.962 58.000 -0.385 0.000 1.303 128 F CB 0.091 38.721 39.000 -0.616 0.000 1.024 128 F HN 0.355 nan 8.300 nan 0.000 0.494 129 F N -0.600 119.469 119.950 0.199 0.000 2.750 129 F HA 0.202 4.729 4.527 0.001 0.000 0.297 129 F C 1.275 177.112 175.800 0.062 0.000 1.138 129 F CA -0.340 57.717 58.000 0.095 0.000 1.346 129 F CB -0.365 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 0.485 121.813 121.223 0.175 0.000 2.079 130 L HA -0.112 4.228 4.340 0.001 0.000 0.210 130 L C 1.149 178.076 176.870 0.096 0.000 1.081 130 L CA 1.978 56.900 54.840 0.137 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 0.520 120.765 120.200 0.075 0.000 2.280 131 E HA 0.152 4.503 4.350 0.001 0.000 0.279 131 E C -0.403 176.237 176.600 0.067 0.000 1.325 131 E CA -0.013 56.421 56.400 0.056 0.000 1.486 131 E CB -0.221 29.499 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 0.001 0.000 0.283 132 T C 0.768 175.495 174.700 0.045 0.000 1.008 132 T CA -0.867 61.281 62.100 0.080 0.000 0.997 132 T CB 2.114 71.046 68.868 0.106 0.000 0.992 132 T HN 0.070 nan 8.240 nan 0.000 0.454 133 E N 0.809 121.027 120.200 0.030 0.000 2.318 133 E HA 0.063 4.414 4.350 0.001 0.000 0.193 133 E C 0.171 176.768 176.600 -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 -0.032 120.167 120.200 -0.001 0.000 2.312 134 E HA 0.388 4.739 4.350 0.001 0.000 0.267 134 E C -0.869 175.728 176.600 -0.004 0.000 0.894 134 E CA -0.456 55.923 56.400 -0.034 0.000 0.773 134 E CB 2.506 32.188 29.700 -0.030 0.000 1.241 134 E HN -0.186 nan 8.360 nan 0.000 0.432 135 T N 1.011 115.525 114.554 -0.066 0.000 2.900 135 T HA 0.596 4.946 4.350 0.001 0.000 0.303 135 T C -1.809 172.819 174.700 -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 69.393 68.868 -0.008 0.000 1.156 135 T HN 0.256 nan 8.240 nan 0.000 0.490 136 F N 2.489 122.332 119.950 -0.179 0.000 2.469 136 F HA 0.482 5.010 4.527 0.001 0.000 0.332 136 F C 0.716 176.447 175.800 -0.115 0.000 1.103 136 F CA -0.866 57.019 58.000 -0.193 0.000 0.979 136 F CB 1.727 40.554 39.000 -0.288 0.000 1.137 136 F HN 0.524 nan 8.300 nan 0.000 0.463 137 Q N 5.711 125.528 119.800 0.028 0.000 2.269 137 Q HA 0.028 4.368 4.340 0.001 0.000 0.300 137 Q C -2.277 173.771 176.000 0.081 0.000 1.070 137 Q CA -1.316 54.515 55.803 0.046 0.000 0.957 137 Q CB 0.541 29.308 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 0.951 64.088 63.100 0.061 0.000 0.765 138 P CB 0.646 32.376 31.700 0.051 0.000 0.828 139 G N 2.276 111.130 108.800 0.091 0.000 2.143 139 G HA2 -0.270 3.691 3.960 0.001 0.000 0.248 139 G HA3 -0.270 3.691 3.960 0.001 0.000 0.248 139 G C 0.158 175.201 174.900 0.238 0.000 0.991 139 G CA 0.155 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 -0.141 120.490 120.500 0.218 0.000 2.437 140 R HA 0.440 4.781 4.340 0.001 0.000 0.310 140 R C 0.472 176.977 176.300 0.342 0.000 0.955 140 R CA -1.175 55.106 56.100 0.301 0.000 0.851 140 R CB 0.645 31.086 30.300 0.236 0.000 1.161 140 R HN 0.274 nan 8.270 nan 0.000 0.446 141 W N 6.661 128.119 121.300 0.265 0.000 2.231 141 W HA 0.105 4.766 4.660 0.001 0.000 0.341 141 W C -1.655 175.030 176.519 0.276 0.000 1.298 141 W CA 0.548 58.028 57.345 0.225 0.000 1.266 141 W CB 0.413 30.042 29.460 0.282 0.000 1.172 141 W HN 0.594 nan 8.180 nan 0.000 0.568 142 F N 8.058 127.636 119.950 -0.619 0.000 2.749 142 F HA 0.306 4.834 4.527 0.001 0.000 0.339 142 F C -1.710 173.739 175.800 -0.585 0.000 1.211 142 F CA -1.001 56.787 58.000 -0.353 0.000 1.099 142 F CB 0.738 39.704 39.000 -0.056 0.000 1.359 142 F HN 0.224 nan 8.300 nan 0.000 0.549 143 M N 6.594 125.683 119.600 -0.852 0.000 2.253 143 M HA 0.534 5.014 4.480 0.001 0.000 0.314 143 M C -0.964 174.980 176.300 -0.593 0.000 1.019 143 M CA -0.388 54.570 55.300 -0.570 0.000 0.932 143 M CB 1.662 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 -0.336 0.000 2.438 144 R HA 0.649 4.989 4.340 0.001 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 30.978 30.300 -0.015 0.000 0.993 144 R HN 0.925 nan 8.270 nan 0.000 0.459 145 A N 3.390 126.151 122.820 -0.099 0.000 2.580 145 A HA 0.265 4.586 4.320 0.001 0.000 0.244 145 A C 1.193 178.758 177.584 -0.032 0.000 1.045 145 A CA 0.983 52.987 52.037 -0.055 0.000 0.761 145 A CB -0.506 18.475 19.000 -0.031 0.000 0.962 145 A HN 1.307 nan 8.150 nan 0.000 0.512 146 A N 1.634 124.440 122.820 -0.024 0.000 3.526 146 A HA -0.169 4.151 4.320 0.001 0.000 0.254 146 A C 0.462 178.036 177.584 -0.016 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 -1.672 118.110 119.800 -0.029 0.000 2.215 147 Q HA 0.734 5.075 4.340 0.001 0.000 0.256 147 Q C 1.064 177.048 176.000 -0.027 0.000 0.972 147 Q CA 0.012 55.795 55.803 -0.033 0.000 0.889 147 Q CB 1.632 30.338 28.738 -0.053 0.000 1.281 147 Q HN 0.907 nan 8.270 nan 0.000 0.456 148 A N 0.802 123.608 122.820 -0.023 0.000 2.140 148 A HA 0.234 4.555 4.320 0.001 0.000 0.209 148 A C 0.218 177.781 177.584 -0.036 0.000 1.181 148 A CA 0.265 52.300 52.037 -0.002 0.000 0.824 148 A CB 0.677 19.684 19.000 0.012 0.000 0.879 148 A HN 0.441 nan 8.150 nan 0.000 0.480 149 V N -1.373 118.491 119.914 -0.084 0.000 2.638 149 V HA 0.773 4.894 4.120 0.001 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 33.595 31.823 -0.138 0.000 0.999 149 V HN 0.037 nan 8.190 nan 0.000 0.424 150 T N 5.657 120.067 114.554 -0.239 0.000 2.949 150 T HA 0.787 5.138 4.350 0.001 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 1.415 nan 8.240 nan 0.000 0.442 151 A N 2.971 125.638 122.820 -0.255 0.000 2.301 151 A HA 0.901 5.222 4.320 0.001 0.000 0.312 151 A C -0.475 176.867 177.584 -0.403 0.000 1.182 151 A CA -0.576 51.280 52.037 -0.301 0.000 0.826 151 A CB 0.914 19.765 19.000 -0.249 0.000 1.134 151 A HN 0.689 nan 8.150 nan 0.000 0.501 152 V N 2.237 121.854 119.914 -0.496 0.000 3.087 152 V HA 0.500 4.621 4.120 0.001 0.000 0.306 152 V C -0.551 175.197 176.094 -0.577 0.000 1.187 152 V CA -0.439 61.436 62.300 -0.708 0.000 0.999 152 V CB 2.377 33.499 31.823 -1.170 0.000 1.049 152 V HN 1.349 nan 8.190 nan 0.000 0.431 153 V N 4.371 123.970 119.914 -0.526 0.000 2.498 153 V HA 0.399 4.519 4.120 0.001 0.000 0.279 153 V C 0.661 176.635 176.094 -0.201 0.000 1.048 153 V CA 0.522 62.539 62.300 -0.472 0.000 0.967 153 V CB 0.816 32.259 31.823 -0.633 0.000 0.988 153 V HN 1.288 nan 8.190 nan 0.000 0.473 154 C N 3.266 122.467 119.300 -0.164 0.000 3.255 154 C HA 0.874 5.335 4.460 0.001 0.000 0.282 154 C C 0.836 175.824 174.990 -0.005 0.000 1.441 154 C CA -0.040 58.955 59.018 -0.039 0.000 1.785 154 C CB -1.311 26.413 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 -0.006 0.000 2.506 155 G HA2 0.556 4.517 3.960 0.001 0.000 0.292 155 G HA3 0.556 4.517 3.960 0.001 0.000 0.292 155 G C -2.890 172.088 174.900 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 0.375 177.911 177.300 0.394 0.000 1.153 156 P CA 1.423 64.677 63.100 0.257 0.000 0.777 156 P CB 0.298 32.113 31.700 0.192 0.000 0.794 157 D N -2.981 117.640 120.400 0.369 0.000 2.620 157 D HA 0.258 4.898 4.640 0.001 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 0.058 nan 8.370 nan 0.000 0.488 158 M N 1.151 120.941 119.600 0.316 0.000 2.470 158 M HA 0.559 5.040 4.480 0.001 0.000 0.285 158 M C -2.000 174.228 176.300 -0.119 0.000 1.213 158 M CA -0.701 54.680 55.300 0.134 0.000 0.901 158 M CB 2.990 35.645 32.600 0.092 0.000 1.718 158 M HN 0.143 nan 8.290 nan 0.000 0.469 159 I N 0.500 120.994 120.570 -0.126 0.000 2.934 159 I HA 0.726 4.897 4.170 0.001 0.000 0.306 159 I C -1.698 174.324 176.117 -0.159 0.000 1.110 159 I CA -0.553 60.576 61.300 -0.286 0.000 1.019 159 I CB 2.457 40.186 38.000 -0.450 0.000 1.227 159 I HN 0.796 nan 8.210 nan 0.000 0.434 160 Q N 3.377 123.052 119.800 -0.209 0.000 2.397 160 Q HA 0.782 5.123 4.340 0.001 0.000 0.275 160 Q C -1.878 173.980 176.000 -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 1.271 121.052 119.914 -0.222 0.000 2.540 161 V HA 0.446 4.567 4.120 0.001 0.000 0.302 161 V C -0.509 175.395 176.094 -0.317 0.000 1.035 161 V CA -0.718 61.423 62.300 -0.265 0.000 0.873 161 V CB 1.811 33.499 31.823 -0.224 0.000 0.992 161 V HN 0.865 nan 8.190 nan 0.000 0.428 162 S N 5.972 121.408 115.700 -0.440 0.000 2.457 162 S HA 0.685 5.156 4.470 0.001 0.000 0.289 162 S C -0.634 173.692 174.600 -0.457 0.000 1.163 162 S CA -0.559 57.236 58.200 -0.675 0.000 1.078 162 S CB 0.782 63.146 63.200 -1.394 0.000 0.987 162 S HN 0.431 nan 8.310 nan 0.000 0.482 163 L N 3.658 124.782 121.223 -0.165 0.000 2.333 163 L HA 0.479 4.819 4.340 0.001 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 1.288 43.328 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 0.250 4.991 4.740 0.001 0.000 0.250 164 N C 0.199 175.789 175.510 0.132 0.000 1.272 164 N CA -0.167 53.037 53.050 0.256 0.000 0.928 164 N CB 1.178 39.767 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 4.707 4.320 0.001 0.000 0.243 165 A C 1.391 179.001 177.584 0.043 0.000 1.063 165 A CA 0.641 52.707 52.037 0.048 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 0.852 109.668 108.800 0.026 0.000 2.189 166 G HA2 0.066 4.027 3.960 0.001 0.000 0.267 166 G HA3 0.066 4.027 3.960 0.001 0.000 0.267 166 G C 0.708 175.666 174.900 0.097 0.000 0.975 166 G CA 0.846 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 -0.068 122.794 122.820 0.070 0.000 2.366 167 A HA 0.788 5.109 4.320 0.001 0.000 0.249 167 A C 0.742 178.384 177.584 0.096 0.000 1.084 167 A CA 0.940 53.017 52.037 0.066 0.000 0.794 167 A CB 0.287 19.307 19.000 0.033 0.000 1.034 167 A HN 1.537 nan 8.150 nan 0.000 0.491 168 R N 0.080 120.600 120.500 0.032 0.000 2.643 168 R HA 0.740 5.080 4.340 0.001 0.000 0.269 168 R C -0.352 175.870 176.300 -0.130 0.000 1.037 168 R CA -0.309 55.750 56.100 -0.068 0.000 0.894 168 R CB 1.353 31.636 30.300 -0.028 0.000 1.238 168 R HN 1.516 nan 8.270 nan 0.000 0.459 169 G N 0.831 109.439 108.800 -0.319 0.000 2.523 169 G HA2 0.353 4.313 3.960 0.001 0.000 0.291 169 G HA3 0.353 4.313 3.960 0.001 0.000 0.291 169 G C -1.949 172.853 174.900 -0.164 0.000 1.450 169 G CA -0.745 44.265 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 0.008 0.000 2.175 170 D HA 0.519 5.160 4.640 0.001 0.000 0.248 170 D C 0.642 176.928 176.300 -0.023 0.000 1.047 170 D CA -0.286 53.737 54.000 0.038 0.000 0.883 170 D CB 2.270 43.120 40.800 0.083 0.000 1.180 170 D HN 0.078 nan 8.370 nan 0.000 0.438 171 V N 2.343 122.236 119.914 -0.035 0.000 3.556 171 V HA -0.088 4.033 4.120 0.001 0.000 0.287 171 V C 2.118 178.274 176.094 0.104 0.000 1.422 171 V CA 0.078 62.365 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 0.139 0.000 2.152 172 Q HA -0.298 4.043 4.340 0.001 0.000 0.206 172 Q C 1.783 178.031 176.000 0.412 0.000 0.985 172 Q CA 2.132 58.148 55.803 0.354 0.000 0.863 172 Q CB -0.639 28.323 28.738 0.374 0.000 0.904 172 Q HN 0.757 nan 8.270 nan 0.000 0.422 173 Q N 0.744 120.680 119.800 0.226 0.000 2.364 173 Q HA -0.128 4.213 4.340 0.001 0.000 0.209 173 Q C 1.905 178.004 176.000 0.164 0.000 0.977 173 Q CA 1.146 57.055 55.803 0.178 0.000 0.885 173 Q CB -0.721 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 0.043 120.684 120.570 0.118 0.000 2.493 174 I HA -0.115 4.055 4.170 0.001 0.000 0.254 174 I C 1.319 177.502 176.117 0.111 0.000 1.160 174 I CA 0.871 62.160 61.300 -0.018 0.000 1.445 174 I CB -0.145 37.702 38.000 -0.255 0.000 1.086 174 I HN -0.034 nan 8.210 nan 0.000 0.433 175 F N 0.225 120.374 119.950 0.331 0.000 2.664 175 F HA 0.155 4.683 4.527 0.001 0.000 0.296 175 F C 1.492 177.482 175.800 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 38.756 39.000 0.354 0.000 1.114 175 F HN 0.027 nan 8.300 nan 0.000 0.576 176 Q N -0.422 119.608 119.800 0.383 0.000 2.312 176 Q HA 0.408 4.749 4.340 0.001 0.000 0.236 176 Q C 1.373 177.461 176.000 0.145 0.000 0.965 176 Q CA 0.454 56.389 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 0.952 109.800 108.800 0.080 0.000 2.234 177 G HA2 -0.315 3.646 3.960 0.001 0.000 0.260 177 G HA3 -0.315 3.646 3.960 0.001 0.000 0.260 177 G C -0.168 174.734 174.900 0.002 0.000 0.987 177 G CA 0.417 45.540 45.100 0.038 0.000 0.625 177 G HN 0.577 nan 8.290 nan 0.000 0.532 178 R N 0.317 120.807 120.500 -0.016 0.000 2.514 178 R HA 0.683 5.024 4.340 0.001 0.000 0.301 178 R C 0.600 176.747 176.300 -0.253 0.000 0.962 178 R CA -0.211 55.801 56.100 -0.146 0.000 0.882 178 R CB 0.940 31.105 30.300 -0.226 0.000 1.143 178 R HN 0.470 nan 8.270 nan 0.000 0.452 179 N N 0.321 118.883 118.700 -0.231 0.000 4.875 179 N HA -0.284 4.457 4.740 0.001 0.000 0.299 179 N C -1.021 174.452 175.510 -0.062 0.000 0.905 179 N CA 1.215 54.164 53.050 -0.169 0.000 1.035 179 N CB -0.428 37.847 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 4.911 4.640 0.001 0.000 0.286 180 D C -2.782 173.557 176.300 0.065 0.000 1.255 180 D CA -1.033 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 0.549 177.867 177.300 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 0.223 119.849 119.600 0.043 0.000 2.653 182 M HA 0.191 4.672 4.480 0.001 0.000 0.259 182 M C 0.498 176.747 176.300 -0.085 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 4.997 4.480 0.001 0.000 0.287 183 M C -2.075 174.066 176.300 -0.265 0.000 1.186 183 M CA -0.162 54.992 55.300 -0.244 0.000 0.927 183 M CB 2.513 34.985 32.600 -0.212 0.000 1.715 183 M HN -0.046 nan 8.290 nan 0.000 0.478 184 I N 3.817 124.090 120.570 -0.496 0.000 2.466 184 I HA 0.362 4.533 4.170 0.001 0.000 0.289 184 I C -1.561 174.228 176.117 -0.546 0.000 1.026 184 I CA -0.755 60.328 61.300 -0.363 0.000 1.078 184 I CB 1.708 39.482 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 0.478 5.028 4.550 0.001 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 -0.346 0.000 1.186 185 Y CB 1.028 38.987 38.460 -0.834 0.000 1.139 185 Y HN 0.300 nan 8.280 nan 0.000 0.494 186 L N 3.881 125.096 121.223 -0.013 0.000 2.334 186 L HA 0.739 5.080 4.340 0.001 0.000 0.270 186 L C -0.533 176.379 176.870 0.070 0.000 1.018 186 L CA -1.192 53.662 54.840 0.023 0.000 0.811 186 L CB 1.957 43.991 42.059 -0.041 0.000 1.271 186 L HN 0.411 nan 8.230 nan 0.000 0.443 187 V N 2.385 122.356 119.914 0.095 0.000 2.711 187 V HA 0.637 4.758 4.120 0.001 0.000 0.304 187 V C -1.702 174.463 176.094 0.118 0.000 1.097 187 V CA -0.564 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 5.902 127.197 121.300 -0.009 0.000 2.606 188 W HA 0.859 5.520 4.660 0.001 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 1.499 30.932 29.460 -0.045 0.000 1.383 188 W HN 0.660 nan 8.180 nan 0.000 0.524 189 R N 2.215 122.777 120.500 0.104 0.000 2.795 189 R HA 0.472 4.813 4.340 0.001 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 1.450 121.996 120.500 0.077 0.000 2.298 190 R HA 0.276 4.617 4.340 0.001 0.000 0.310 190 R C -0.147 176.215 176.300 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 30.959 30.300 0.140 0.000 1.003 190 R HN 0.440 nan 8.270 nan 0.000 0.454 191 I N 3.573 124.201 120.570 0.097 0.000 2.329 191 I HA -0.024 4.146 4.170 0.001 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 39.043 38.000 0.061 0.000 1.433 191 I HN 0.612 nan 8.210 nan 0.000 0.509 192 E N 4.841 125.139 120.200 0.163 0.000 2.204 192 E HA -0.112 4.239 4.350 0.001 0.000 0.195 192 E C 0.324 177.041 176.600 0.194 0.000 0.990 192 E CA 1.162 57.659 56.400 0.162 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 -0.517 118.314 118.700 0.218 0.000 2.533 193 N HA 0.179 4.919 4.740 0.001 0.000 0.289 193 N C -1.454 174.209 175.510 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 1.448 121.440 119.950 0.070 0.000 2.631 194 F HA 0.878 5.406 4.527 0.001 0.000 0.328 194 F C -0.619 175.235 175.800 0.090 0.000 1.067 194 F CA -1.263 56.794 58.000 0.095 0.000 0.969 194 F CB 0.682 39.767 39.000 0.142 0.000 1.332 194 F HN 0.243 nan 8.300 nan 0.000 0.490 195 A N 3.069 126.066 122.820 0.294 0.000 2.290 195 A HA 0.655 4.976 4.320 0.001 0.000 0.310 195 A C -0.190 177.550 177.584 0.259 0.000 1.202 195 A CA -0.731 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 1.732 121.375 119.600 0.071 0.000 2.227 196 M HA 0.268 4.749 4.480 0.001 0.000 0.316 196 M C 1.675 178.054 176.300 0.132 0.000 1.144 196 M CA 0.056 55.391 55.300 0.057 0.000 1.121 196 M CB 0.879 33.391 32.600 -0.147 0.000 1.440 196 M HN 0.883 nan 8.290 nan 0.000 0.473 197 A N 0.846 123.761 122.820 0.157 0.000 1.986 197 A HA -0.192 4.128 4.320 0.001 0.000 0.220 197 A C 1.794 179.438 177.584 0.099 0.000 1.171 197 A CA 1.583 53.732 52.037 0.185 0.000 0.640 197 A CB -0.384 18.730 19.000 0.191 0.000 0.811 197 A HN 0.801 nan 8.150 nan 0.000 0.451 198 Q N -2.144 117.680 119.800 0.041 0.000 2.230 198 Q HA 0.098 4.439 4.340 0.001 0.000 0.202 198 Q C 1.561 177.573 176.000 0.021 0.000 0.963 198 Q CA 1.333 57.147 55.803 0.018 0.000 0.866 198 Q CB 0.056 28.786 28.738 -0.014 0.000 0.931 198 Q HN 1.005 nan 8.270 nan 0.000 0.452 199 G N 0.821 109.635 108.800 0.024 0.000 2.296 199 G HA2 -0.208 3.753 3.960 0.001 0.000 0.188 199 G HA3 -0.208 3.753 3.960 0.001 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 0.662 119.340 118.700 -0.037 0.000 2.524 200 N HA 0.592 5.333 4.740 0.001 0.000 0.283 200 N C 0.272 175.712 175.510 -0.117 0.000 1.142 200 N CA 0.094 53.103 53.050 -0.069 0.000 0.984 200 N CB 1.371 39.809 38.487 -0.081 0.000 1.155 200 N HN 0.065 nan 8.380 nan 0.000 0.467 201 S N 0.248 115.873 115.700 -0.124 0.000 2.579 201 S HA 0.095 4.566 4.470 0.001 0.000 0.275 201 S C -0.112 174.298 174.600 -0.316 0.000 1.345 201 S CA -0.370 57.717 58.200 -0.189 0.000 1.031 201 S CB 0.736 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 0.679 120.149 119.800 -0.551 0.000 2.418 202 Q HA 0.511 4.851 4.340 0.001 0.000 0.282 202 Q C -1.639 173.986 176.000 -0.626 0.000 1.044 202 Q CA -0.568 54.821 55.803 -0.690 0.000 0.813 202 Q CB 1.528 29.629 28.738 -1.062 0.000 1.428 202 Q HN 0.555 nan 8.270 nan 0.000 0.402 203 Q N 0.023 119.672 119.800 -0.251 0.000 2.248 203 Q HA 0.658 4.999 4.340 0.001 0.000 0.263 203 Q C -1.188 174.953 176.000 0.236 0.000 1.007 203 Q CA -0.390 55.424 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 2.881 117.619 114.554 0.308 0.000 2.749 204 T HA 0.300 4.651 4.350 0.001 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 0.731 69.747 68.868 0.248 0.000 0.924 204 T HN 0.308 nan 8.240 nan 0.000 0.456 205 Q N 1.723 121.591 119.800 0.113 0.000 2.340 205 Q HA 0.505 4.845 4.340 0.001 0.000 0.249 205 Q C 0.266 176.307 176.000 0.069 0.000 0.957 205 Q CA -0.374 55.472 55.803 0.070 0.000 0.882 205 Q CB 0.762 29.528 28.738 0.046 0.000 1.235 205 Q HN 0.828 nan 8.270 nan 0.000 0.439 206 A N 0.308 123.162 122.820 0.057 0.000 2.445 206 A HA 0.497 4.818 4.320 0.001 0.000 0.242 206 A C 1.060 178.674 177.584 0.050 0.000 1.075 206 A CA 0.798 52.872 52.037 0.062 0.000 0.777 206 A CB -0.048 18.980 19.000 0.048 0.000 1.013 206 A HN 0.915 nan 8.150 nan 0.000 0.493 207 G N 0.041 108.878 108.800 0.062 0.000 2.551 207 G HA2 -0.060 3.900 3.960 0.001 0.000 0.186 207 G HA3 -0.060 3.900 3.960 0.001 0.000 0.186 207 G C 0.126 175.022 174.900 -0.006 0.000 1.002 207 G CA -0.063 45.052 45.100 0.025 0.000 0.723 207 G HN 1.253 nan 8.290 nan 0.000 0.481 208 V N 2.574 122.500 119.914 0.020 0.000 2.740 208 V HA 0.548 4.668 4.120 0.001 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 0.908 nan 8.190 nan 0.000 0.486 209 T N 1.300 115.744 114.554 -0.184 0.000 2.906 209 T HA 0.778 5.128 4.350 0.001 0.000 0.295 209 T C -1.017 173.397 174.700 -0.477 0.000 1.061 209 T CA -0.739 61.234 62.100 -0.211 0.000 1.000 209 T CB 1.855 70.711 68.868 -0.020 0.000 1.103 209 T HN 0.349 nan 8.240 nan 0.000 0.486 210 V N 2.504 122.036 119.914 -0.637 0.000 2.588 210 V HA 0.815 4.936 4.120 0.001 0.000 0.304 210 V C -0.144 175.770 176.094 -0.301 0.000 1.042 210 V CA -0.702 61.177 62.300 -0.702 0.000 0.877 210 V CB 1.789 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 3.588 119.172 115.700 -0.193 0.000 2.536 211 S HA 0.847 5.318 4.470 0.001 0.000 0.287 211 S C -1.196 173.332 174.600 -0.119 0.000 1.101 211 S CA -0.720 57.427 58.200 -0.088 0.000 0.950 211 S CB 2.058 65.248 63.200 -0.017 0.000 1.056 211 S HN 0.434 nan 8.310 nan 0.000 0.481 212 V N 2.257 122.113 119.914 -0.095 0.000 2.409 212 V HA 0.706 4.827 4.120 0.001 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 0.477 32.231 31.823 -0.116 0.000 0.990 212 V HN 1.693 nan 8.190 nan 0.000 0.430 213 G N 3.708 112.506 108.800 -0.003 0.000 2.283 213 G HA2 0.025 3.986 3.960 0.001 0.000 0.280 213 G HA3 0.025 3.986 3.960 0.001 0.000 0.280 213 G C 1.216 176.106 174.900 -0.017 0.000 1.029 213 G CA 0.947 46.054 45.100 0.012 0.000 0.840 213 G HN 2.253 nan 8.290 nan 0.000 0.505 214 G N -2.880 105.894 108.800 -0.043 0.000 2.241 214 G HA2 -0.003 3.957 3.960 0.001 0.000 0.244 214 G HA3 -0.003 3.957 3.960 0.001 0.000 0.244 214 G C 0.998 175.881 174.900 -0.029 0.000 0.998 214 G CA 1.182 46.250 45.100 -0.053 0.000 0.621 214 G HN 2.176 nan 8.290 nan 0.000 0.519 215 V N 1.081 120.987 119.914 -0.013 0.000 2.567 215 V HA 0.658 4.779 4.120 0.001 0.000 0.289 215 V C -0.052 176.048 176.094 0.009 0.000 1.049 215 V CA -0.306 61.995 62.300 0.003 0.000 0.969 215 V CB 1.564 33.395 31.823 0.013 0.000 0.995 215 V HN 0.253 nan 8.190 nan 0.000 0.471 216 D N 5.923 126.339 120.400 0.026 0.000 2.348 216 D HA 0.361 5.002 4.640 0.001 0.000 0.253 216 D C -0.254 176.093 176.300 0.078 0.000 1.161 216 D CA 0.051 54.078 54.000 0.046 0.000 0.876 216 D CB 0.614 41.449 40.800 0.058 0.000 1.160 216 D HN 0.459 nan 8.370 nan 0.000 0.459 217 M N 2.869 122.539 119.600 0.117 0.000 2.294 217 M HA 0.358 4.839 4.480 0.001 0.000 0.335 217 M C 0.249 176.777 176.300 0.381 0.000 1.079 217 M CA -0.530 54.890 55.300 0.200 0.000 0.982 217 M CB 1.634 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 0.921 121.559 120.500 0.230 0.000 2.738 218 R HA 0.567 4.908 4.340 0.001 0.000 0.268 218 R C 0.231 176.477 176.300 -0.089 0.000 1.062 218 R CA -0.246 55.935 56.100 0.136 0.000 1.158 218 R CB 0.503 30.817 30.300 0.023 0.000 1.046 218 R HN 0.824 nan 8.270 nan 0.000 0.493 219 A N 0.402 122.906 122.820 -0.526 0.000 2.304 219 A HA 0.484 4.804 4.320 0.001 0.000 0.271 219 A C 0.957 178.192 177.584 -0.581 0.000 1.091 219 A CA 0.201 51.476 52.037 -1.270 0.000 0.812 219 A CB 0.406 18.412 19.000 -1.657 0.000 1.056 219 A HN 0.863 nan 8.150 nan 0.000 0.489 220 G N -0.132 108.373 108.800 -0.492 0.000 2.179 220 G HA2 -0.188 3.773 3.960 0.001 0.000 0.257 220 G HA3 -0.188 3.773 3.960 0.001 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 0.885 nan 8.290 nan 0.000 0.513 221 R N -1.060 119.375 120.500 -0.109 0.000 2.673 221 R HA 0.664 5.005 4.340 0.001 0.000 0.281 221 R C 0.468 176.777 176.300 0.014 0.000 0.991 221 R CA -0.869 55.214 56.100 -0.029 0.000 0.896 221 R CB 0.974 31.264 30.300 -0.016 0.000 1.201 221 R HN 0.197 nan 8.270 nan 0.000 0.457 222 I N 3.982 124.584 120.570 0.053 0.000 2.648 222 I HA 0.116 4.287 4.170 0.001 0.000 0.284 222 I C 0.046 176.229 176.117 0.109 0.000 1.153 222 I CA 0.594 61.951 61.300 0.096 0.000 1.426 222 I CB 0.385 38.464 38.000 0.133 0.000 1.381 222 I HN 0.391 nan 8.210 nan 0.000 0.571 223 I N 5.738 126.371 120.570 0.106 0.000 2.465 223 I HA 0.402 4.573 4.170 0.001 0.000 0.291 223 I C 0.087 176.227 176.117 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 0.055 0.000 1.267 223 I HN 0.589 nan 8.210 nan 0.000 0.431 224 A N 6.487 129.320 122.820 0.022 0.000 2.316 224 A HA 0.342 4.663 4.320 0.001 0.000 0.311 224 A C -1.321 176.192 177.584 -0.119 0.000 1.339 224 A CA -0.175 51.745 52.037 -0.194 0.000 0.960 224 A CB -0.082 18.913 19.000 -0.008 0.000 1.152 224 A HN 0.700 nan 8.150 nan 0.000 0.547 225 W N 4.234 125.274 121.300 -0.434 0.000 2.587 225 W HA 0.401 5.061 4.660 0.001 0.000 0.324 225 W C 0.348 176.674 176.519 -0.321 0.000 1.040 225 W CA -1.238 55.912 57.345 -0.324 0.000 1.222 225 W CB 1.339 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 2.762 122.814 120.400 -0.580 0.000 2.371 226 D HA 0.016 4.656 4.640 0.001 0.000 0.221 226 D C 1.508 177.228 176.300 -0.966 0.000 0.986 226 D CA 0.910 54.542 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 0.621 108.162 108.800 -2.098 0.000 2.179 227 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 227 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 227 G C 1.156 175.497 174.900 -0.932 0.000 0.977 227 G CA 0.496 44.341 45.100 -2.092 0.000 0.641 227 G HN 0.345 nan 8.290 nan 0.000 0.533 228 Q N -0.335 119.150 119.800 -0.525 0.000 2.548 228 Q HA 0.505 4.846 4.340 0.001 0.000 0.230 228 Q C 1.782 177.849 176.000 0.111 0.000 0.899 228 Q CA 0.864 56.596 55.803 -0.117 0.000 0.936 228 Q CB -0.410 28.260 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 4.686 4.320 0.001 0.000 0.233 229 A C 0.187 177.975 177.584 0.341 0.000 1.060 229 A CA 0.529 52.716 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 1.373 124.280 122.820 0.145 0.000 2.488 230 A HA 0.433 4.754 4.320 0.001 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 4.694 4.340 0.001 0.000 0.280 231 L C -0.368 176.414 176.870 -0.147 0.000 1.055 231 L CA -0.051 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 0.769 nan 8.230 nan 0.000 0.432 232 H N 3.126 122.060 119.070 -0.228 0.000 2.541 232 H HA 0.631 5.188 4.556 0.001 0.000 0.316 232 H C -1.064 174.140 175.328 -0.207 0.000 1.043 232 H CA -0.528 55.414 56.048 -0.177 0.000 1.232 232 H CB 1.053 30.735 29.762 -0.133 0.000 1.406 232 H HN 0.333 nan 8.280 nan 0.000 0.469 233 V N 5.166 124.765 119.914 -0.526 0.000 2.472 233 V HA 0.246 4.367 4.120 0.001 0.000 0.290 233 V C -0.374 175.467 176.094 -0.422 0.000 1.037 233 V CA -0.708 61.323 62.300 -0.449 0.000 0.908 233 V CB 1.053 32.655 31.823 -0.369 0.000 0.985 233 V HN 0.822 nan 8.190 nan 0.000 0.454 234 H N 3.573 122.422 119.070 -0.368 0.000 2.840 234 H HA 0.463 5.020 4.556 0.001 0.000 0.340 234 H C -0.833 174.409 175.328 -0.144 0.000 1.004 234 H CA -0.832 55.076 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 0.613 nan 8.280 nan 0.000 0.522 235 N N 6.634 125.149 118.700 -0.309 0.000 2.699 235 N HA 0.214 4.955 4.740 0.001 0.000 0.232 235 N C -2.166 173.087 175.510 -0.428 0.000 1.027 235 N CA -2.393 50.475 53.050 -0.303 0.000 0.920 235 N CB 1.341 39.766 38.487 -0.103 0.000 1.148 235 N HN 0.449 nan 8.380 nan 0.000 0.509 236 P HA 0.018 nan 4.420 nan 0.000 0.245 236 P C 0.179 177.406 177.300 -0.123 0.000 1.212 236 P CA 0.189 63.075 63.100 -0.357 0.000 0.774 236 P CB 0.283 31.797 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 4.427 4.350 0.001 0.000 0.299 237 T C 1.151 175.844 174.700 -0.013 0.000 1.045 237 T CA 0.114 62.192 62.100 -0.037 0.000 1.071 237 T CB 0.435 69.292 68.868 -0.019 0.000 0.985 237 T HN -0.020 nan 8.240 nan 0.000 0.537 238 Q N 1.703 121.503 119.800 -0.001 0.000 2.247 238 Q HA 0.248 4.589 4.340 0.001 0.000 0.205 238 Q C 0.120 176.122 176.000 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 29.042 28.738 0.001 0.000 1.054 238 Q HN 0.606 nan 8.270 nan 0.000 0.482 239 Q N -0.302 119.506 119.800 0.014 0.000 2.544 239 Q HA 0.336 4.677 4.340 0.001 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 1.492 30.243 28.738 0.022 0.000 1.481 239 Q HN 0.154 nan 8.270 nan 0.000 0.430 240 N N -0.051 118.680 118.700 0.053 0.000 2.453 240 N HA 0.419 5.160 4.740 0.001 0.000 0.253 240 N C -1.030 174.672 175.510 0.319 0.000 1.252 240 N CA 0.149 53.290 53.050 0.152 0.000 0.917 240 N CB 0.679 39.093 38.487 -0.121 0.000 1.117 240 N HN 0.537 nan 8.380 nan 0.000 0.442 241 A N 1.211 124.221 122.820 0.316 0.000 2.498 241 A HA 0.759 5.079 4.320 0.001 0.000 0.298 241 A C -1.056 176.479 177.584 -0.082 0.000 1.075 241 A CA -0.650 51.473 52.037 0.142 0.000 0.714 241 A CB 1.280 20.324 19.000 0.073 0.000 1.299 241 A HN 0.577 nan 8.150 nan 0.000 0.407 242 M N 1.791 121.211 119.600 -0.300 0.000 2.326 242 M HA 0.514 4.994 4.480 0.001 0.000 0.292 242 M C -1.016 175.194 176.300 -0.150 0.000 1.081 242 M CA -0.828 54.246 55.300 -0.377 0.000 0.919 242 M CB 2.236 34.387 32.600 -0.749 0.000 1.634 242 M HN 0.826 nan 8.290 nan 0.000 0.451 243 V N 1.394 121.246 119.914 -0.103 0.000 2.735 243 V HA 0.710 4.831 4.120 0.001 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 3.761 123.618 119.800 0.096 0.000 2.274 244 Q HA 0.789 5.129 4.340 0.001 0.000 0.260 244 Q C -1.358 174.726 176.000 0.141 0.000 0.974 244 Q CA -0.828 55.017 55.803 0.070 0.000 0.876 244 Q CB 2.427 31.200 28.738 0.058 0.000 1.297 244 Q HN 0.826 nan 8.270 nan 0.000 0.446 245 I N 2.583 123.223 120.570 0.117 0.000 2.411 245 I HA 0.237 4.408 4.170 0.001 0.000 0.284 245 I C -0.639 175.596 176.117 0.196 0.000 1.012 245 I CA -0.619 60.790 61.300 0.182 0.000 1.119 245 I CB 2.004 40.117 38.000 0.189 0.000 1.261 245 I HN 0.699 nan 8.210 nan 0.000 0.448 246 Q N 5.566 125.477 119.800 0.185 0.000 2.257 246 Q HA 0.435 4.776 4.340 0.001 0.000 0.255 246 Q C -1.242 174.881 176.000 0.205 0.000 0.920 246 Q CA -0.638 55.282 55.803 0.195 0.000 0.927 246 Q CB 2.123 30.951 28.738 0.151 0.000 1.229 246 Q HN 0.485 nan 8.270 nan 0.000 0.433 247 V N 6.203 126.271 119.914 0.256 0.000 2.322 247 V HA 0.004 4.125 4.120 0.001 0.000 0.258 247 V C 1.086 177.318 176.094 0.228 0.000 1.074 247 V CA 0.059 62.475 62.300 0.194 0.000 0.909 247 V CB 0.646 32.561 31.823 0.154 0.000 1.090 247 V HN 0.840 nan 8.190 nan 0.000 0.486 248 V N 6.976 126.999 119.914 0.182 0.000 2.490 248 V HA 0.015 4.136 4.120 0.001 0.000 0.250 248 V C 0.383 176.729 176.094 0.421 0.000 1.061 248 V CA 2.077 64.530 62.300 0.255 0.000 1.064 248 V CB -0.388 31.574 31.823 0.232 0.000 0.670 248 V HN 0.861 nan 8.190 nan 0.000 0.461 249 F N -1.670 118.455 119.950 0.293 0.000 2.793 249 F HA 0.605 5.133 4.527 0.001 0.000 0.316 249 F C -1.279 174.813 175.800 0.487 0.000 1.147 249 F CA -1.635 56.557 58.000 0.320 0.000 0.930 249 F CB 0.256 39.339 39.000 0.139 0.000 1.277 249 F HN 0.186 nan 8.300 nan 0.000 0.443 250 Y N 1.898 122.447 120.300 0.414 0.000 2.609 250 Y HA 0.883 5.434 4.550 0.001 0.000 0.342 250 Y C -1.101 175.028 175.900 0.383 0.000 1.058 250 Y CA -2.393 55.902 58.100 0.325 0.000 1.055 250 Y CB 1.524 40.161 38.460 0.295 0.000 1.292 250 Y HN 0.903 nan 8.280 nan 0.000 0.476 251 I N 1.238 122.002 120.570 0.324 0.000 2.509 251 I HA 0.932 5.103 4.170 0.001 0.000 0.293 251 I C -0.684 175.522 176.117 0.147 0.000 1.020 251 I CA -0.684 60.712 61.300 0.160 0.000 1.088 251 I CB 2.219 40.360 38.000 0.234 0.000 1.267 251 I HN 0.875 nan 8.210 nan 0.000 0.430 252 S N 4.849 120.589 115.700 0.067 0.000 2.794 252 S HA 0.555 5.026 4.470 0.001 0.000 0.299 252 S C -0.072 174.575 174.600 0.078 0.000 1.179 252 S CA -0.988 57.270 58.200 0.098 0.000 0.838 252 S CB 1.986 65.270 63.200 0.141 0.000 1.206 252 S HN 0.788 nan 8.310 nan 0.000 0.523 253 M N 1.364 121.018 119.600 0.090 0.000 2.551 253 M HA 0.271 4.752 4.480 0.001 0.000 0.252 253 M C -0.835 175.567 176.300 0.169 0.000 1.219 253 M CA -0.041 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 1.701 122.165 120.400 0.106 0.000 2.255 254 D HA 0.197 4.837 4.640 0.001 0.000 0.249 254 D C 0.078 176.427 176.300 0.081 0.000 1.078 254 D CA -0.064 53.996 54.000 0.100 0.000 0.896 254 D CB 1.228 42.068 40.800 0.066 0.000 1.194 254 D HN -0.068 nan 8.370 nan 0.000 0.429 255 K N 1.110 121.561 120.400 0.086 0.000 2.326 255 K HA 0.209 4.530 4.320 0.001 0.000 0.275 255 K C 0.632 177.260 176.600 0.047 0.000 1.018 255 K CA -0.168 56.155 56.287 0.060 0.000 0.962 255 K CB 0.897 33.430 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 4.645 4.350 0.001 0.000 0.276 256 T C 0.896 175.607 174.700 0.019 0.000 1.003 256 T CA -0.829 61.272 62.100 0.001 0.000 0.995 256 T CB 0.573 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 4.638 4.340 0.001 0.000 0.233 257 L C 1.177 178.068 176.870 0.034 0.000 1.156 257 L CA 0.944 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 -1.442 117.264 118.700 0.010 0.000 2.279 258 N HA 0.001 4.742 4.740 0.001 0.000 0.226 258 N C 1.419 176.934 175.510 0.010 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 -0.381 119.446 119.800 0.044 0.000 2.311 259 Q HA -0.093 4.248 4.340 0.001 0.000 0.203 259 Q C -0.224 175.832 176.000 0.094 0.000 0.954 259 Q CA 0.841 56.676 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 0.001 0.000 0.343 260 Y C -2.710 173.188 175.900 -0.003 0.000 0.994 260 Y CA -3.088 55.007 58.100 -0.008 0.000 1.031 260 Y CB 1.873 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 0.060 nan 4.420 nan 0.000 0.260 261 P C 0.018 177.258 177.300 -0.099 0.000 1.185 261 P CA 1.571 64.467 63.100 -0.341 0.000 0.763 261 P CB 0.539 31.992 31.700 -0.411 0.000 0.776 262 A N 3.001 125.821 122.820 -0.001 0.000 2.799 262 A HA -0.224 4.096 4.320 0.001 0.000 0.287 262 A C 1.386 179.064 177.584 0.155 0.000 1.484 262 A CA 0.821 52.899 52.037 0.069 0.000 0.813 262 A CB -2.347 16.688 19.000 0.057 0.000 1.009 262 A HN 0.639 nan 8.150 nan 0.000 0.545 263 L N -1.074 120.270 121.223 0.203 0.000 2.043 263 L HA -0.236 4.105 4.340 0.001 0.000 0.212 263 L C 2.583 179.548 176.870 0.158 0.000 1.075 263 L CA 2.687 57.658 54.840 0.219 0.000 0.752 263 L CB -0.578 41.599 42.059 0.198 0.000 0.891 263 L HN 0.734 nan 8.230 nan 0.000 0.432 264 T N -0.239 114.390 114.554 0.126 0.000 2.684 264 T HA -0.182 4.168 4.350 0.001 0.000 0.267 264 T C 1.877 176.680 174.700 0.172 0.000 1.036 264 T CA 1.317 63.492 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 -0.117 4.203 4.320 0.001 0.000 0.219 265 A C 2.330 180.053 177.584 0.231 0.000 1.169 265 A CA 1.188 53.338 52.037 0.187 0.000 0.635 265 A CB -0.315 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 0.113 120.422 120.200 0.182 0.000 2.047 266 E HA -0.110 4.241 4.350 0.001 0.000 0.191 266 E C 1.976 178.671 176.600 0.158 0.000 0.987 266 E CA 0.954 57.441 56.400 0.146 0.000 0.799 266 E CB -0.530 29.238 29.700 0.112 0.000 0.752 266 E HN 0.709 nan 8.360 nan 0.000 0.449 267 I N 0.744 121.435 120.570 0.201 0.000 2.163 267 I HA -0.290 3.881 4.170 0.001 0.000 0.243 267 I C 2.371 178.702 176.117 0.357 0.000 1.085 267 I CA 1.147 62.614 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 1.760 121.825 119.950 0.192 0.000 2.126 268 F HA -0.291 4.237 4.527 0.001 0.000 0.299 268 F C 2.290 178.195 175.800 0.176 0.000 1.096 268 F CA 2.080 60.189 58.000 0.182 0.000 1.255 268 F CB -0.714 38.352 39.000 0.110 0.000 0.997 268 F HN 0.116 nan 8.300 nan 0.000 0.479 269 N N 0.090 118.795 118.700 0.008 0.000 2.069 269 N HA -0.182 4.558 4.740 0.001 0.000 0.191 269 N C 1.897 177.353 175.510 -0.089 0.000 1.031 269 N CA 1.803 54.785 53.050 -0.113 0.000 0.852 269 N CB -0.144 38.349 38.487 0.009 0.000 1.018 269 N HN 0.263 nan 8.380 nan 0.000 0.423 270 V N 0.335 120.248 119.914 -0.003 0.000 2.343 270 V HA -0.214 3.907 4.120 0.001 0.000 0.247 270 V C 1.343 177.417 176.094 -0.033 0.000 1.051 270 V CA 1.552 63.850 62.300 -0.004 0.000 1.036 270 V CB -0.744 30.953 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 0.190 4.740 4.550 0.001 0.000 0.281 271 Y C 1.638 177.658 175.900 0.199 0.000 1.174 271 Y CA -0.261 57.943 58.100 0.174 0.000 1.295 271 Y CB -0.326 38.230 38.460 0.161 0.000 1.062 271 Y HN 0.115 nan 8.280 nan 0.000 0.522 272 S N 0.479 116.243 115.700 0.107 0.000 2.579 272 S HA -0.042 4.428 4.470 0.001 0.000 0.275 272 S C 0.966 175.794 174.600 0.381 0.000 1.345 272 S CA -0.551 57.685 58.200 0.059 0.000 1.031 272 S CB 0.416 63.472 63.200 -0.240 0.000 0.892 272 S HN 0.362 nan 8.310 nan 0.000 0.529 273 F N 2.487 122.569 119.950 0.221 0.000 2.060 273 F HA -0.027 4.501 4.527 0.001 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 0.745 nan 8.300 nan 0.000 0.470 274 R N -0.327 120.118 120.500 -0.091 0.000 1.195 274 R HA -0.308 4.032 4.340 0.001 0.000 0.014 274 R C -0.575 175.449 176.300 -0.461 0.000 0.961 274 R CA 2.016 57.978 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 -3.127 116.746 120.400 -0.877 0.000 2.738 275 D HA 0.208 4.849 4.640 0.001 0.000 0.308 275 D C 0.045 175.725 176.300 -1.034 0.000 1.311 275 D CA -0.422 53.017 54.000 -0.936 0.000 0.799 275 D CB -0.131 40.529 40.800 -0.232 0.000 1.332 275 D HN 0.192 nan 8.370 nan 0.000 0.441 276 H N -1.139 117.708 119.070 -0.372 0.000 2.421 276 H HA 0.015 4.572 4.556 0.001 0.000 0.298 276 H C 1.393 176.637 175.328 -0.140 0.000 1.087 276 H CA 2.336 58.315 56.048 -0.115 0.000 1.330 276 H CB -0.064 29.722 29.762 0.039 0.000 1.388 276 H HN 0.409 nan 8.280 nan 0.000 0.526 277 T N 0.249 114.756 114.554 -0.079 0.000 2.770 277 T HA -0.185 4.165 4.350 0.001 0.000 0.263 277 T C 1.803 176.348 174.700 -0.257 0.000 1.039 277 T CA 1.060 63.048 62.100 -0.185 0.000 1.142 277 T CB -0.323 68.399 68.868 -0.244 0.000 0.868 277 T HN 0.568 nan 8.240 nan 0.000 0.435 278 W N 1.658 122.655 121.300 -0.506 0.000 2.358 278 W HA -0.226 4.435 4.660 0.001 0.000 0.303 278 W C 2.249 178.539 176.519 -0.381 0.000 1.208 278 W CA 1.637 58.587 57.345 -0.659 0.000 1.274 278 W CB -0.580 28.327 29.460 -0.921 0.000 1.138 278 W HN 0.400 nan 8.180 nan 0.000 0.515 279 H N -0.085 118.658 119.070 -0.545 0.000 2.319 279 H HA -0.103 4.453 4.556 0.001 0.000 0.299 279 H C 2.467 177.550 175.328 -0.409 0.000 1.092 279 H CA 3.041 58.811 56.048 -0.462 0.000 1.302 279 H CB -0.815 28.788 29.762 -0.265 0.000 1.373 279 H HN 0.143 nan 8.280 nan 0.000 0.497 280 G N 0.682 109.268 108.800 -0.356 0.000 2.421 280 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 280 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 280 G C 1.859 176.552 174.900 -0.345 0.000 1.171 280 G CA 0.669 45.588 45.100 -0.302 0.000 0.775 280 G HN 0.434 nan 8.290 nan 0.000 0.543 281 L N 0.136 121.125 121.223 -0.390 0.000 2.017 281 L HA -0.039 4.302 4.340 0.001 0.000 0.208 281 L C 2.958 179.516 176.870 -0.520 0.000 1.073 281 L CA 1.601 56.232 54.840 -0.348 0.000 0.745 281 L CB -0.385 41.510 42.059 -0.272 0.000 0.894 281 L HN 0.237 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 0.001 0.000 0.237 282 R C 2.003 178.000 176.300 -0.506 0.000 1.137 282 R CA 2.329 57.902 56.100 -0.879 0.000 0.951 282 R CB -0.592 29.004 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 4.179 4.350 0.001 0.000 0.268 283 T C 1.886 176.458 174.700 -0.213 0.000 1.035 283 T CA 1.790 63.694 62.100 -0.326 0.000 1.151 283 T CB -0.425 68.219 68.868 -0.372 0.000 0.862 283 T HN 0.492 nan 8.240 nan 0.000 0.438 284 A N 0.921 123.616 122.820 -0.208 0.000 1.908 284 A HA -0.048 4.273 4.320 0.001 0.000 0.218 284 A C 2.308 179.831 177.584 -0.103 0.000 1.181 284 A CA 1.362 53.326 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 3.957 4.170 0.001 0.000 0.245 285 I C 2.223 178.285 176.117 -0.091 0.000 1.102 285 I CA 0.989 62.224 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 0.644 121.798 121.223 -0.116 0.000 2.275 286 L HA -0.157 4.183 4.340 0.001 0.000 0.215 286 L C 1.925 178.778 176.870 -0.029 0.000 1.119 286 L CA 0.721 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 0.322 nan 8.230 nan 0.000 0.443 287 N N 0.400 119.076 118.700 -0.041 0.000 2.443 287 N HA -0.146 4.595 4.740 0.001 0.000 0.184 287 N C 1.458 176.961 175.510 -0.011 0.000 1.037 287 N CA 0.874 53.911 53.050 -0.021 0.000 0.896 287 N CB -0.108 38.363 38.487 -0.028 0.000 0.959 287 N HN 0.161 nan 8.380 nan 0.000 0.442 288 R N -0.164 120.327 120.500 -0.016 0.000 2.388 288 R HA 0.147 4.488 4.340 0.001 0.000 0.247 288 R C 0.343 176.641 176.300 -0.004 0.000 0.931 288 R CA 0.023 56.117 56.100 -0.009 0.000 1.082 288 R CB 0.065 30.357 30.300 -0.012 0.000 1.135 288 R HN 0.264 nan 8.270 nan 0.000 0.525 289 T N -5.348 109.206 114.554 0.001 0.000 2.742 289 T HA 0.234 4.585 4.350 0.001 0.000 0.282 289 T C 0.918 175.632 174.700 0.023 0.000 1.025 289 T CA -0.341 61.765 62.100 0.010 0.000 1.020 289 T CB 1.544 70.417 68.868 0.008 0.000 1.317 289 T HN 0.029 nan 8.240 nan 0.000 0.538 290 T N -0.652 113.921 114.554 0.031 0.000 3.144 290 T HA 0.321 4.672 4.350 0.001 0.000 0.249 290 T C 0.314 175.050 174.700 0.061 0.000 1.089 290 T CA -0.376 61.750 62.100 0.042 0.000 0.989 290 T CB -0.315 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 3.146 124.411 121.223 0.069 0.000 2.357 291 L HA 0.525 4.866 4.340 0.001 0.000 0.273 291 L C -2.072 174.870 176.870 0.120 0.000 1.080 291 L CA -2.719 52.185 54.840 0.108 0.000 0.803 291 L CB 0.742 42.877 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 -0.166 63.005 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 2.928 121.715 118.700 0.145 0.000 2.446 293 N HA -0.094 4.647 4.740 0.001 0.000 0.179 293 N C 1.094 176.727 175.510 0.204 0.000 1.054 293 N CA 1.086 54.213 53.050 0.128 0.000 0.905 293 N CB -0.506 37.990 38.487 0.014 0.000 0.973 293 N HN 0.523 nan 8.380 nan 0.000 0.448 294 M N -2.482 117.274 119.600 0.260 0.000 2.215 294 M HA 0.421 4.902 4.480 0.001 0.000 0.391 294 M C -0.910 175.602 176.300 0.354 0.000 0.914 294 M CA -0.243 55.276 55.300 0.364 0.000 1.035 294 M CB 0.933 33.660 32.600 0.211 0.000 1.944 294 M HN -0.191 nan 8.290 nan 0.000 0.656 295 L N 2.191 123.395 121.223 -0.030 0.000 2.408 295 L HA 0.695 5.035 4.340 0.001 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 2.310 44.317 42.059 -0.087 0.000 1.303 295 L HN -0.188 nan 8.230 nan 0.000 0.411 296 P HA 0.045 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 -0.634 62.070 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 0.093 nan 4.420 nan 0.000 0.270 297 P C 0.647 177.906 177.300 -0.068 0.000 1.223 297 P CA 0.173 63.252 63.100 -0.036 0.000 0.785 297 P CB 0.849 32.584 31.700 0.058 0.000 0.923 298 I N -0.500 120.000 120.570 -0.115 0.000 2.400 298 I HA -0.057 4.114 4.170 0.001 0.000 0.248 298 I C 0.782 176.641 176.117 -0.430 0.000 1.109 298 I CA 1.066 62.172 61.300 -0.323 0.000 1.425 298 I CB -0.229 37.470 38.000 -0.503 0.000 1.094 298 I HN 0.140 nan 8.210 nan 0.000 0.425 299 F N 1.908 121.914 119.950 0.093 0.000 2.450 299 F HA 0.404 4.932 4.527 0.001 0.000 0.332 299 F C -2.047 173.794 175.800 0.069 0.000 1.093 299 F CA -3.141 54.917 58.000 0.097 0.000 1.003 299 F CB 0.054 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 -2.606 174.779 177.300 0.142 0.000 1.205 300 P CA -0.896 62.289 63.100 0.143 0.000 0.771 300 P CB 0.015 31.776 31.700 0.102 0.000 0.858 301 P HA 0.124 nan 4.420 nan 0.000 0.272 301 P C 0.537 177.877 177.300 0.067 0.000 1.240 301 P CA -0.068 63.085 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 -0.459 118.271 118.700 0.050 0.000 2.116 302 N HA 0.024 4.765 4.740 0.001 0.000 0.230 302 N C -1.032 174.476 175.510 -0.002 0.000 1.326 302 N CA -0.242 52.826 53.050 0.030 0.000 0.867 302 N CB 0.574 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 0.496 120.895 120.400 -0.001 0.000 2.299 303 D HA 0.173 4.814 4.640 0.001 0.000 0.243 303 D C 0.793 177.074 176.300 -0.032 0.000 0.982 303 D CA -0.663 53.325 54.000 -0.020 0.000 0.924 303 D CB 2.752 43.551 40.800 -0.002 0.000 1.238 303 D HN -0.125 nan 8.370 nan 0.000 0.484 304 R N 0.493 120.965 120.500 -0.047 0.000 2.096 304 R HA -0.205 4.136 4.340 0.001 0.000 0.240 304 R C 0.862 177.134 176.300 -0.048 0.000 1.139 304 R CA 2.011 58.079 56.100 -0.053 0.000 0.952 304 R CB -0.170 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 -0.128 4.512 4.640 0.001 0.000 0.194 305 D C 2.037 178.321 176.300 -0.026 0.000 0.994 305 D CA 1.803 55.786 54.000 -0.028 0.000 0.830 305 D CB -0.371 40.419 40.800 -0.015 0.000 0.959 305 D HN 0.210 nan 8.370 nan 0.000 0.452 306 S N 0.461 116.153 115.700 -0.013 0.000 2.356 306 S HA -0.103 4.368 4.470 0.001 0.000 0.223 306 S C 2.079 176.666 174.600 -0.021 0.000 1.032 306 S CA 0.509 58.708 58.200 -0.002 0.000 1.005 306 S CB -0.082 63.131 63.200 0.022 0.000 0.867 306 S HN 0.202 nan 8.310 nan 0.000 0.449 307 I N 1.676 122.221 120.570 -0.043 0.000 2.163 307 I HA -0.134 4.037 4.170 0.001 0.000 0.243 307 I C 2.297 178.333 176.117 -0.134 0.000 1.085 307 I CA 1.170 62.415 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 0.521 121.676 121.223 -0.112 0.000 1.989 308 L HA -0.256 4.085 4.340 0.001 0.000 0.211 308 L C 2.604 179.423 176.870 -0.084 0.000 1.071 308 L CA 2.040 56.814 54.840 -0.111 0.000 0.749 308 L CB -0.587 41.423 42.059 -0.081 0.000 0.890 308 L HN 0.277 nan 8.230 nan 0.000 0.431 309 T N 0.421 114.940 114.554 -0.058 0.000 2.720 309 T HA -0.228 4.123 4.350 0.001 0.000 0.268 309 T C 1.932 176.605 174.700 -0.044 0.000 1.037 309 T CA 1.377 63.451 62.100 -0.043 0.000 1.144 309 T CB -0.272 68.578 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 -0.031 4.310 4.340 0.001 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 0.243 nan 8.230 nan 0.000 0.433 311 L N -0.946 120.219 121.223 -0.096 0.000 2.012 311 L HA -0.257 4.084 4.340 0.001 0.000 0.210 311 L C 2.594 179.436 176.870 -0.047 0.000 1.073 311 L CA 0.909 55.688 54.840 -0.102 0.000 0.748 311 L CB -0.538 41.400 42.059 -0.201 0.000 0.891 311 L HN 0.238 nan 8.230 nan 0.000 0.431 312 L N -0.440 120.754 121.223 -0.047 0.000 2.046 312 L HA -0.217 4.124 4.340 0.001 0.000 0.208 312 L C 2.380 179.257 176.870 0.013 0.000 1.077 312 L CA 1.657 56.484 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 4.125 4.340 0.001 0.000 0.208 313 L C 2.650 179.594 176.870 0.122 0.000 1.085 313 L CA 1.272 56.165 54.840 0.088 0.000 0.755 313 L CB -0.218 41.866 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 -0.197 4.274 4.470 0.001 0.000 0.223 314 S C 1.897 176.500 174.600 0.006 0.000 1.032 314 S CA 2.067 60.284 58.200 0.027 0.000 1.005 314 S CB -0.136 63.079 63.200 0.025 0.000 0.867 314 S HN 0.475 nan 8.310 nan 0.000 0.449 315 T N 2.600 117.164 114.554 0.017 0.000 2.708 315 T HA -0.068 4.283 4.350 0.001 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 1.321 122.583 121.223 0.065 0.000 2.127 316 L HA 0.008 4.349 4.340 0.001 0.000 0.211 316 L C 2.524 179.466 176.870 0.121 0.000 1.089 316 L CA 1.641 56.565 54.840 0.140 0.000 0.757 316 L CB -0.814 41.368 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 0.001 0.000 0.217 317 A C 1.985 179.383 177.584 -0.310 0.000 1.175 317 A CA 1.715 53.372 52.037 -0.633 0.000 0.627 317 A CB -0.659 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 0.001 0.000 0.198 318 D C 2.092 178.381 176.300 -0.018 0.000 0.982 318 D CA 1.379 55.335 54.000 -0.074 0.000 0.828 318 D CB -0.430 40.348 40.800 -0.036 0.000 0.967 318 D HN 0.210 nan 8.370 nan 0.000 0.464 319 V N 0.730 120.672 119.914 0.046 0.000 2.343 319 V HA -0.280 3.841 4.120 0.001 0.000 0.247 319 V C 2.229 178.408 176.094 0.141 0.000 1.051 319 V CA 1.432 63.797 62.300 0.108 0.000 1.036 319 V CB -0.677 31.245 31.823 0.165 0.000 0.654 319 V HN 0.184 nan 8.190 nan 0.000 0.451 320 Y N 1.223 121.547 120.300 0.040 0.000 2.128 320 Y HA -0.308 4.243 4.550 0.001 0.000 0.284 320 Y C 2.720 178.486 175.900 -0.222 0.000 1.154 320 Y CA 2.432 60.428 58.100 -0.173 0.000 1.149 320 Y CB -0.527 37.754 38.460 -0.297 0.000 0.976 320 Y HN 0.198 nan 8.280 nan 0.000 0.505 321 T N -0.432 114.100 114.554 -0.038 0.000 2.746 321 T HA -0.204 4.146 4.350 0.001 0.000 0.267 321 T C 2.052 176.674 174.700 -0.129 0.000 1.039 321 T CA 1.911 63.953 62.100 -0.096 0.000 1.142 321 T CB -0.752 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 0.157 120.013 119.914 -0.095 0.000 2.446 322 V HA 0.111 4.231 4.120 0.001 0.000 0.244 322 V C 2.126 178.151 176.094 -0.114 0.000 1.039 322 V CA 1.256 63.505 62.300 -0.085 0.000 1.045 322 V CB -0.736 31.058 31.823 -0.049 0.000 0.681 322 V HN 0.468 nan 8.190 nan 0.000 0.459 323 L N 0.149 121.293 121.223 -0.131 0.000 2.291 323 L HA 0.148 4.489 4.340 0.001 0.000 0.214 323 L C 1.367 178.080 176.870 -0.262 0.000 1.120 323 L CA 0.739 55.486 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 -1.254 119.002 120.500 -0.407 0.000 3.251 324 R HA -0.144 4.197 4.340 0.001 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 -0.450 176.750 177.300 -0.167 0.000 1.240 325 P CA 0.122 63.014 63.100 -0.347 0.000 0.791 325 P CB 0.778 32.220 31.700 -0.429 0.000 0.978 326 E N 0.777 121.012 120.200 0.059 0.000 2.283 326 E HA 0.460 4.811 4.350 0.001 0.000 0.258 326 E C -0.941 175.838 176.600 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 0.251 120.253 119.950 0.087 0.000 2.745 327 F HA 0.839 5.367 4.527 0.001 0.000 0.316 327 F C -1.301 174.570 175.800 0.118 0.000 1.155 327 F CA -1.477 56.619 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 1.454 124.398 122.820 0.206 0.000 2.312 328 A HA 0.828 5.149 4.320 0.001 0.000 0.326 328 A C -0.977 176.624 177.584 0.028 0.000 1.172 328 A CA -0.695 51.367 52.037 0.042 0.000 0.821 328 A CB 0.515 19.552 19.000 0.061 0.000 1.166 328 A HN 0.721 nan 8.150 nan 0.000 0.493 329 I N 2.290 122.824 120.570 -0.060 0.000 2.465 329 I HA 0.235 4.406 4.170 0.001 0.000 0.291 329 I C -0.474 175.619 176.117 -0.041 0.000 1.014 329 I CA -0.862 60.398 61.300 -0.067 0.000 1.093 329 I CB 1.574 39.536 38.000 -0.063 0.000 1.267 329 I HN 0.642 nan 8.210 nan 0.000 0.431 330 H N 4.549 123.642 119.070 0.037 0.000 3.070 330 H HA 0.060 4.617 4.556 0.001 0.000 0.313 330 H C 1.214 176.544 175.328 0.005 0.000 0.997 330 H CA 1.128 57.188 56.048 0.020 0.000 1.438 330 H CB 0.466 30.239 29.762 0.018 0.000 1.455 330 H HN 0.959 nan 8.280 nan 0.000 0.575 331 G N 2.539 111.424 108.800 0.141 0.000 2.176 331 G HA2 -0.263 3.697 3.960 0.001 0.000 0.253 331 G HA3 -0.263 3.697 3.960 0.001 0.000 0.253 331 G C 0.069 174.994 174.900 0.042 0.000 0.979 331 G CA 0.253 45.395 45.100 0.069 0.000 0.641 331 G HN 0.574 nan 8.290 nan 0.000 0.530 332 V N 1.390 121.324 119.914 0.034 0.000 2.427 332 V HA 0.540 4.661 4.120 0.001 0.000 0.286 332 V C 0.066 176.154 176.094 -0.011 0.000 1.034 332 V CA -0.821 61.488 62.300 0.015 0.000 0.893 332 V CB 1.767 33.591 31.823 0.001 0.000 0.982 332 V HN 0.319 nan 8.190 nan 0.000 0.452 333 N N 4.729 123.399 118.700 -0.049 0.000 2.623 333 N HA 0.398 5.138 4.740 0.001 0.000 0.256 333 N C -2.665 172.719 175.510 -0.209 0.000 1.045 333 N CA -1.081 51.916 53.050 -0.089 0.000 0.863 333 N CB 2.167 40.614 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 0.476 63.473 63.100 -0.171 0.000 0.766 334 P CB 0.682 32.359 31.700 -0.038 0.000 0.820 335 M N 4.561 124.088 119.600 -0.121 0.000 2.085 335 M HA 0.222 4.702 4.480 0.001 0.000 0.309 335 M C -1.493 174.858 176.300 0.084 0.000 0.947 335 M CA -1.775 53.519 55.300 -0.009 0.000 0.918 335 M CB 2.084 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 0.814 178.156 177.300 0.069 0.000 1.150 336 P CA 1.797 64.928 63.100 0.052 0.000 0.841 336 P CB 0.250 31.968 31.700 0.031 0.000 0.784 337 G N -0.872 107.977 108.800 0.081 0.000 2.669 337 G HA2 -0.185 3.776 3.960 0.001 0.000 0.250 337 G HA3 -0.185 3.776 3.960 0.001 0.000 0.250 337 G C -1.643 173.291 174.900 0.058 0.000 1.247 337 G CA 0.054 45.205 45.100 0.086 0.000 0.958 337 G HN 0.293 nan 8.290 nan 0.000 0.559 338 P HA 0.400 nan 4.420 nan 0.000 0.261 338 P C -0.047 177.299 177.300 0.076 0.000 1.297 338 P CA 0.533 63.667 63.100 0.056 0.000 0.757 338 P CB -0.263 31.460 31.700 0.039 0.000 1.149 339 L N -0.595 120.687 121.223 0.098 0.000 1.714 339 L HA -0.113 4.228 4.340 0.001 0.000 0.484 339 L C 0.228 177.152 176.870 0.090 0.000 1.002 339 L CA 0.552 55.469 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 0.480 nan 8.230 nan 0.000 0.810 340 T N 0.060 114.654 114.554 0.067 0.000 2.864 340 T HA 0.660 5.011 4.350 0.001 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 4.331 4.340 0.001 0.000 0.235 341 R C 2.387 178.639 176.300 -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 29.336 30.300 -0.021 0.000 0.861 341 R HN 0.772 nan 8.270 nan 0.000 0.440 342 A N 1.069 123.856 122.820 -0.053 0.000 1.902 342 A HA -0.142 4.179 4.320 0.001 0.000 0.217 342 A C 2.130 179.664 177.584 -0.083 0.000 1.181 342 A CA 1.440 53.444 52.037 -0.055 0.000 0.623 342 A CB -0.467 18.517 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 3.924 4.170 0.001 0.000 0.245 343 I C 2.976 178.886 176.117 -0.346 0.000 1.102 343 I CA 0.924 62.166 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 0.365 nan 8.210 nan 0.000 0.414 344 A N 1.226 123.734 122.820 -0.520 0.000 1.858 344 A HA -0.275 4.045 4.320 0.001 0.000 0.216 344 A C 2.382 179.626 177.584 -0.566 0.000 1.190 344 A CA 2.144 53.525 52.037 -1.094 0.000 0.617 344 A CB -0.703 17.942 19.000 -0.592 0.000 0.827 344 A HN 0.383 nan 8.150 nan 0.000 0.443 345 R N 0.002 120.341 120.500 -0.268 0.000 2.091 345 R HA -0.099 4.242 4.340 0.001 0.000 0.238 345 R C 2.046 178.322 176.300 -0.040 0.000 1.136 345 R CA 1.896 57.918 56.100 -0.131 0.000 0.959 345 R CB -0.576 29.655 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 -0.087 0.000 2.067 346 A HA 0.038 4.359 4.320 0.001 0.000 0.219 346 A C 2.241 179.813 177.584 -0.019 0.000 1.158 346 A CA 1.333 53.350 52.037 -0.033 0.000 0.661 346 A CB -0.637 18.347 19.000 -0.027 0.000 0.801 346 A HN 0.550 nan 8.150 nan 0.000 0.452 347 A N -1.830 120.914 122.820 -0.127 0.000 2.167 347 A HA 0.120 4.441 4.320 0.001 0.000 0.214 347 A C 1.004 178.503 177.584 -0.142 0.000 1.151 347 A CA 0.389 52.323 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 0.048 120.300 120.300 -0.080 0.000 2.873 348 Y HA 0.388 4.939 4.550 0.001 0.000 0.375 348 Y C 0.698 176.633 175.900 0.058 0.000 1.070 348 Y CA 0.029 58.159 58.100 0.051 0.000 1.644 348 Y CB -0.931 37.531 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 4.121 4.120 0.001 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