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_5 DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAVT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVHNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAILNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAIH GVNPMPGPLT RAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.028 0.000 1.302 2 D N 0.023 120.375 120.400 -0.080 0.000 2.149 2 D HA -0.017 4.623 4.640 0.001 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 -0.464 113.975 114.554 -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 62.507 62.100 -0.269 0.000 1.139 3 T CB -0.414 68.402 68.868 -0.087 0.000 0.867 3 T HN 0.144 nan 8.240 nan 0.000 0.454 4 I N 2.043 122.569 120.570 -0.074 0.000 2.163 4 I HA -0.184 3.987 4.170 0.001 0.000 0.243 4 I C 3.210 179.297 176.117 -0.051 0.000 1.085 4 I CA 1.479 62.759 61.300 -0.033 0.000 1.347 4 I CB -0.798 37.191 38.000 -0.019 0.000 1.044 4 I HN 0.331 nan 8.210 nan 0.000 0.408 5 A N 0.852 123.624 122.820 -0.080 0.000 1.898 5 A HA -0.112 4.209 4.320 0.001 0.000 0.216 5 A C 2.581 180.110 177.584 -0.093 0.000 1.181 5 A CA 1.733 53.724 52.037 -0.077 0.000 0.620 5 A CB -0.781 18.170 19.000 -0.083 0.000 0.819 5 A HN 0.437 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 18.173 19.000 -0.619 0.000 0.814 6 A HN 0.576 nan 8.150 nan 0.000 0.446 7 R N -0.707 119.791 120.500 -0.003 0.000 2.066 7 R HA -0.015 4.326 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 1.151 57.304 56.100 0.089 0.000 0.955 7 R CB -0.500 29.863 30.300 0.105 0.000 0.851 7 R HN 0.497 nan 8.270 nan 0.000 0.432 8 A N 1.317 124.141 122.820 0.006 0.000 1.883 8 A HA -0.186 4.134 4.320 0.001 0.000 0.217 8 A C 2.088 179.664 177.584 -0.013 0.000 1.186 8 A CA 1.208 53.238 52.037 -0.012 0.000 0.624 8 A CB -0.545 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 -0.296 120.922 121.223 -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 2.676 57.515 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 0.414 nan 8.230 nan 0.000 0.432 10 T N -1.335 113.242 114.554 0.039 0.000 2.684 10 T HA -0.185 4.165 4.350 0.001 0.000 0.267 10 T C 1.952 176.668 174.700 0.027 0.000 1.036 10 T CA 1.761 63.893 62.100 0.055 0.000 1.148 10 T CB -0.377 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 1.574 121.495 119.914 0.013 0.000 2.343 11 V HA -0.180 3.940 4.120 0.001 0.000 0.247 11 V C 2.489 178.565 176.094 -0.029 0.000 1.051 11 V CA 1.668 63.960 62.300 -0.014 0.000 1.036 11 V CB -0.642 31.160 31.823 -0.036 0.000 0.654 11 V HN 0.499 nan 8.190 nan 0.000 0.451 12 M N -0.573 119.009 119.600 -0.029 0.000 2.132 12 M HA -0.149 4.331 4.480 0.001 0.000 0.263 12 M C 2.428 178.722 176.300 -0.010 0.000 1.065 12 M CA 1.763 57.046 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 4.313 4.340 0.001 0.000 0.230 13 R C 2.355 178.656 176.300 0.002 0.000 1.111 13 R CA 1.249 57.352 56.100 0.006 0.000 0.976 13 R CB -0.496 29.814 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 1.180 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 0.558 59.565 59.018 -0.019 0.000 1.770 15 C CB -1.357 26.366 27.740 -0.028 0.000 1.929 15 C HN 0.678 nan 8.230 nan 0.000 0.509 16 A N -0.369 122.448 122.820 -0.005 0.000 2.209 16 A HA -0.073 4.247 4.320 0.001 0.000 0.212 16 A C 2.075 179.652 177.584 -0.011 0.000 1.158 16 A CA 1.699 53.733 52.037 -0.005 0.000 0.742 16 A CB -0.618 18.381 19.000 -0.002 0.000 0.790 16 A HN 0.547 nan 8.150 nan 0.000 0.472 17 T N 0.034 114.582 114.554 -0.010 0.000 3.014 17 T HA 0.049 4.399 4.350 0.001 0.000 0.263 17 T C 0.606 175.297 174.700 -0.015 0.000 1.078 17 T CA 0.372 62.465 62.100 -0.011 0.000 1.135 17 T CB -0.238 68.625 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 0.180 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 55.407 54.840 -0.021 0.000 1.158 18 L CB -1.249 40.797 42.059 -0.023 0.000 1.497 18 L HN 0.208 nan 8.230 nan 0.000 0.447 19 Q N 0.195 119.981 119.800 -0.024 0.000 2.124 19 Q HA -0.066 4.274 4.340 0.001 0.000 0.202 19 Q C 1.000 176.983 176.000 -0.029 0.000 0.977 19 Q CA 1.428 57.214 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 -3.015 117.170 120.200 -0.024 0.000 2.450 20 E HA 0.457 4.807 4.350 0.001 0.000 0.272 20 E C -0.302 176.285 176.600 -0.021 0.000 0.967 20 E CA 0.152 56.538 56.400 -0.023 0.000 0.818 20 E CB 0.995 30.683 29.700 -0.020 0.000 1.401 20 E HN 0.006 nan 8.360 nan 0.000 0.450 21 A N 1.237 124.045 122.820 -0.020 0.000 1.854 21 A HA -0.143 4.177 4.320 0.001 0.000 0.214 21 A C 1.891 179.466 177.584 -0.014 0.000 1.192 21 A CA 1.722 53.749 52.037 -0.017 0.000 0.611 21 A CB -0.475 18.515 19.000 -0.016 0.000 0.832 21 A HN 0.608 nan 8.150 nan 0.000 0.442 22 R N -0.032 120.461 120.500 -0.012 0.000 2.317 22 R HA 0.246 4.586 4.340 0.001 0.000 0.208 22 R C 0.322 176.616 176.300 -0.010 0.000 0.914 22 R CA 0.009 56.103 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 0.280 120.844 120.570 -0.011 0.000 3.045 23 I HA 0.018 4.188 4.170 0.001 0.000 0.288 23 I C 0.439 176.550 176.117 -0.009 0.000 1.238 23 I CA -1.082 60.212 61.300 -0.010 0.000 1.396 23 I CB 0.361 38.354 38.000 -0.011 0.000 1.355 23 I HN -0.074 nan 8.210 nan 0.000 0.601 24 V N 4.380 124.289 119.914 -0.008 0.000 2.394 24 V HA 0.533 4.653 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 3.760 124.978 121.223 -0.007 0.000 2.417 25 L HA 0.416 4.756 4.340 0.001 0.000 0.268 25 L C 0.764 177.630 176.870 -0.006 0.000 1.158 25 L CA 0.419 55.254 54.840 -0.007 0.000 0.819 25 L CB 0.711 42.765 42.059 -0.008 0.000 1.112 25 L HN 1.002 nan 8.230 nan 0.000 0.458 26 E N 1.231 121.427 120.200 -0.006 0.000 2.392 26 E HA 0.110 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 0.178 56.575 56.400 -0.006 0.000 0.903 26 E CB 1.138 30.835 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 1.943 53.975 52.037 -0.008 0.000 0.624 27 A CB -0.819 18.176 19.000 -0.009 0.000 0.822 27 A HN 0.962 nan 8.150 nan 0.000 0.444 28 N N 0.135 118.830 118.700 -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 2.289 55.333 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 1.558 121.468 119.914 -0.006 0.000 2.295 29 V HA -0.236 3.885 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 1.749 64.046 62.300 -0.005 0.000 1.024 29 V CB -0.446 31.374 31.823 -0.005 0.000 0.648 29 V HN 0.366 nan 8.190 nan 0.000 0.447 30 M N -0.508 119.088 119.600 -0.007 0.000 2.175 30 M HA -0.186 4.294 4.480 0.001 0.000 0.264 30 M C 2.292 178.588 176.300 -0.006 0.000 1.063 30 M CA 1.847 57.143 55.300 -0.006 0.000 1.119 30 M CB -0.441 32.155 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 -0.209 4.142 4.350 0.001 0.000 0.193 31 E C 1.788 178.383 176.600 -0.008 0.000 0.989 31 E CA 1.358 57.752 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 0.819 121.384 120.570 -0.007 0.000 2.193 32 I HA -0.263 3.907 4.170 0.001 0.000 0.240 32 I C 2.507 178.624 176.117 0.000 0.000 1.084 32 I CA 0.744 62.042 61.300 -0.003 0.000 1.365 32 I CB -0.191 37.809 38.000 0.000 0.000 1.064 32 I HN 0.177 nan 8.210 nan 0.000 0.410 33 L N 0.442 121.663 121.223 -0.003 0.000 2.079 33 L HA -0.170 4.170 4.340 0.001 0.000 0.210 33 L C 2.658 179.530 176.870 0.002 0.000 1.081 33 L CA 1.597 56.434 54.840 -0.005 0.000 0.752 33 L CB -1.304 40.750 42.059 -0.009 0.000 0.896 33 L HN 0.372 nan 8.230 nan 0.000 0.433 34 G N 0.817 109.618 108.800 0.003 0.000 2.480 34 G HA2 -0.259 3.701 3.960 0.001 0.000 0.216 34 G HA3 -0.259 3.701 3.960 0.001 0.000 0.216 34 G C 1.516 176.424 174.900 0.013 0.000 1.200 34 G CA 1.015 46.119 45.100 0.007 0.000 0.782 34 G HN 0.312 nan 8.290 nan 0.000 0.554 35 I N 1.472 122.049 120.570 0.011 0.000 2.179 35 I HA -0.175 3.995 4.170 0.001 0.000 0.242 35 I C 3.327 179.463 176.117 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 1.447 124.285 122.820 0.030 0.000 1.858 36 A HA -0.158 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 1.580 53.642 52.037 0.043 0.000 0.617 36 A CB -0.876 18.133 19.000 0.015 0.000 0.827 36 A HN 0.388 nan 8.150 nan 0.000 0.443 37 I N -0.273 120.330 120.570 0.054 0.000 2.286 37 I HA -0.251 3.919 4.170 0.001 0.000 0.248 37 I C 2.414 178.598 176.117 0.112 0.000 1.115 37 I CA 1.695 63.049 61.300 0.089 0.000 1.392 37 I CB -0.466 37.562 38.000 0.047 0.000 1.065 37 I HN 0.524 nan 8.210 nan 0.000 0.418 38 N N 0.877 119.617 118.700 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 1.216 54.294 53.050 0.047 0.000 0.846 38 N CB 0.051 38.554 38.487 0.027 0.000 1.015 38 N HN -0.022 nan 8.380 nan 0.000 0.423 39 R N -0.320 120.217 120.500 0.062 0.000 2.083 39 R HA -0.163 4.177 4.340 0.001 0.000 0.237 39 R C 1.978 178.314 176.300 0.061 0.000 1.137 39 R CA 1.205 57.337 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 1.731 122.023 120.300 -0.013 0.000 2.070 40 Y HA -0.245 4.305 4.550 0.000 0.000 0.280 40 Y C 1.883 177.759 175.900 -0.040 0.000 1.148 40 Y CA 2.111 60.197 58.100 -0.022 0.000 1.125 40 Y CB -0.680 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 -0.594 118.088 118.700 -0.031 0.000 2.205 41 N HA -0.179 4.561 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 -0.118 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 1.039 109.781 108.800 -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 1.361 176.195 174.900 -0.111 0.000 1.174 42 G CA 0.334 45.385 45.100 -0.082 0.000 0.780 42 G HN 0.153 nan 8.290 nan 0.000 0.537 43 L N 0.122 121.264 121.223 -0.136 0.000 2.492 43 L HA 0.103 4.443 4.340 0.001 0.000 0.223 43 L C 2.601 179.352 176.870 -0.197 0.000 1.132 43 L CA 0.773 55.534 54.840 -0.131 0.000 0.850 43 L CB 0.149 42.153 42.059 -0.093 0.000 0.966 43 L HN 0.187 nan 8.230 nan 0.000 0.454 44 T N -1.124 113.227 114.554 -0.339 0.000 2.999 44 T HA 0.157 4.507 4.350 0.001 0.000 0.247 44 T C 0.669 175.141 174.700 -0.379 0.000 1.012 44 T CA -0.141 61.674 62.100 -0.475 0.000 1.048 44 T CB 0.520 68.812 68.868 -0.960 0.000 1.020 44 T HN 0.021 nan 8.240 nan 0.000 0.478 45 L N 1.118 122.173 121.223 -0.281 0.000 4.406 45 L HA -0.120 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 0.686 55.421 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 0.971 177.256 176.300 -0.025 0.000 1.095 46 R CA 0.159 56.194 56.100 -0.109 0.000 1.148 46 R CB 0.947 31.194 30.300 -0.090 0.000 1.181 46 R HN 0.188 nan 8.270 nan 0.000 0.571 47 G N 0.682 109.502 108.800 0.033 0.000 4.713 47 G HA2 0.298 4.258 3.960 0.001 0.000 0.318 47 G HA3 0.298 4.258 3.960 0.001 0.000 0.318 47 G C -0.485 174.450 174.900 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 1.365 121.336 119.914 0.095 0.000 2.637 48 V HA 0.301 4.421 4.120 0.001 0.000 0.296 48 V C 0.815 176.936 176.094 0.045 0.000 1.046 48 V CA 0.212 62.561 62.300 0.081 0.000 1.066 48 V CB 1.112 33.005 31.823 0.117 0.000 0.968 48 V HN 0.477 nan 8.190 nan 0.000 0.483 49 T N 5.620 120.187 114.554 0.022 0.000 2.934 49 T HA 0.385 4.736 4.350 0.001 0.000 0.283 49 T C 1.136 175.838 174.700 0.004 0.000 1.005 49 T CA -0.573 61.534 62.100 0.012 0.000 1.041 49 T CB 1.483 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 0.316 119.917 119.600 0.002 0.000 2.349 50 M HA 0.117 4.598 4.480 0.001 0.000 0.266 50 M C 1.101 177.395 176.300 -0.009 0.000 1.076 50 M CA 1.148 56.446 55.300 -0.004 0.000 1.126 50 M CB 0.061 32.660 32.600 -0.002 0.000 1.392 50 M HN 0.273 nan 8.290 nan 0.000 0.440 51 R N 1.164 121.659 120.500 -0.009 0.000 2.443 51 R HA 0.316 4.656 4.340 0.001 0.000 0.287 51 R C -2.772 173.519 176.300 -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 30.954 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 -0.146 62.940 63.100 -0.023 0.000 0.771 52 P CB 1.632 33.312 31.700 -0.033 0.000 0.864 53 T N -1.886 112.655 114.554 -0.023 0.000 3.221 53 T HA 0.095 4.445 4.350 0.001 0.000 0.250 53 T C 0.874 175.558 174.700 -0.026 0.000 0.988 53 T CA 0.137 62.223 62.100 -0.023 0.000 1.163 53 T CB -0.740 68.118 68.868 -0.016 0.000 1.098 53 T HN 0.436 nan 8.240 nan 0.000 0.422 54 S N 1.954 117.641 115.700 -0.021 0.000 2.600 54 S HA 0.362 4.833 4.470 0.001 0.000 0.265 54 S C 1.265 175.846 174.600 -0.031 0.000 1.325 54 S CA -0.574 57.614 58.200 -0.020 0.000 1.002 54 S CB 0.836 64.030 63.200 -0.010 0.000 0.921 54 S HN 0.338 nan 8.310 nan 0.000 0.554 55 L N 1.712 122.917 121.223 -0.029 0.000 2.083 55 L HA 0.053 4.393 4.340 0.001 0.000 0.209 55 L C 2.541 179.387 176.870 -0.040 0.000 1.083 55 L CA 2.377 57.193 54.840 -0.040 0.000 0.752 55 L CB -1.497 40.547 42.059 -0.024 0.000 0.899 55 L HN 0.925 nan 8.230 nan 0.000 0.433 56 A N -1.103 121.707 122.820 -0.016 0.000 1.972 56 A HA -0.247 4.073 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 -0.961 118.822 119.800 -0.028 0.000 2.172 57 Q HA -0.056 4.285 4.340 0.001 0.000 0.200 57 Q C 2.333 178.297 176.000 -0.060 0.000 0.964 57 Q CA 1.007 56.792 55.803 -0.030 0.000 0.855 57 Q CB -0.086 28.640 28.738 -0.019 0.000 0.918 57 Q HN 0.612 nan 8.270 nan 0.000 0.444 58 R N 0.452 120.904 120.500 -0.079 0.000 2.075 58 R HA -0.070 4.271 4.340 0.001 0.000 0.232 58 R C 1.897 178.095 176.300 -0.170 0.000 1.126 58 R CA 1.164 57.202 56.100 -0.103 0.000 0.963 58 R CB -0.153 30.082 30.300 -0.108 0.000 0.858 58 R HN 0.247 nan 8.270 nan 0.000 0.435 59 N N 0.898 119.449 118.700 -0.248 0.000 2.069 59 N HA -0.200 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 1.307 54.014 53.050 -0.571 0.000 0.852 59 N CB -0.253 37.950 38.487 -0.473 0.000 1.018 59 N HN 0.227 nan 8.380 nan 0.000 0.423 60 E N 0.587 120.599 120.200 -0.313 0.000 2.085 60 E HA -0.108 4.243 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 29.599 29.700 0.041 0.000 0.743 60 E HN 0.326 nan 8.360 nan 0.000 0.453 61 M N -0.857 118.694 119.600 -0.082 0.000 2.132 61 M HA -0.083 4.397 4.480 0.001 0.000 0.263 61 M C 1.810 178.048 176.300 -0.103 0.000 1.065 61 M CA 1.290 56.546 55.300 -0.074 0.000 1.122 61 M CB -0.137 32.431 32.600 -0.055 0.000 1.365 61 M HN 0.259 nan 8.290 nan 0.000 0.411 62 F N 0.793 120.599 119.950 -0.240 0.000 2.134 62 F HA -0.229 4.298 4.527 0.001 0.000 0.299 62 F C 1.431 177.169 175.800 -0.104 0.000 1.097 62 F CA 1.638 59.513 58.000 -0.208 0.000 1.264 62 F CB -0.437 38.389 39.000 -0.290 0.000 1.001 62 F HN 0.118 nan 8.300 nan 0.000 0.479 63 F N -0.042 119.798 119.950 -0.183 0.000 2.269 63 F HA -0.194 4.333 4.527 0.001 0.000 0.301 63 F C 2.534 178.249 175.800 -0.142 0.000 1.082 63 F CA 1.250 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 -1.093 118.480 119.600 -0.045 0.000 2.132 64 M HA -0.202 4.278 4.480 0.001 0.000 0.263 64 M C 2.182 178.261 176.300 -0.369 0.000 1.065 64 M CA 1.718 56.781 55.300 -0.395 0.000 1.122 64 M CB -0.453 31.740 32.600 -0.677 0.000 1.365 64 M HN 0.178 nan 8.290 nan 0.000 0.411 65 C N 0.407 119.499 119.300 -0.346 0.000 2.446 65 C HA -0.125 4.336 4.460 0.001 0.000 0.277 65 C C 2.576 177.375 174.990 -0.319 0.000 1.275 65 C CA 0.586 59.412 59.018 -0.321 0.000 1.727 65 C CB -1.217 26.322 27.740 -0.336 0.000 2.010 65 C HN 0.671 nan 8.230 nan 0.000 0.486 66 L N 1.442 122.376 121.223 -0.480 0.000 2.012 66 L HA -0.143 4.197 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 56.698 54.840 -0.372 0.000 0.748 66 L CB -1.092 40.617 42.059 -0.584 0.000 0.891 66 L HN 0.270 nan 8.230 nan 0.000 0.431 67 D N -0.882 119.531 120.400 0.020 0.000 2.123 67 D HA -0.215 4.425 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 1.718 55.813 54.000 0.158 0.000 0.833 67 D CB -0.095 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 -0.420 119.173 119.600 -0.012 0.000 2.175 68 M HA -0.109 4.372 4.480 0.001 0.000 0.264 68 M C 2.228 178.515 176.300 -0.022 0.000 1.063 68 M CA 0.877 56.164 55.300 -0.021 0.000 1.119 68 M CB -0.169 32.384 32.600 -0.077 0.000 1.377 68 M HN 0.039 nan 8.290 nan 0.000 0.415 69 M N 1.021 120.595 119.600 -0.045 0.000 2.067 69 M HA -0.170 4.310 4.480 0.001 0.000 0.260 69 M C 1.974 178.265 176.300 -0.015 0.000 1.069 69 M CA 1.952 57.232 55.300 -0.033 0.000 1.117 69 M CB -0.597 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 -0.446 120.775 121.223 -0.002 0.000 2.046 70 L HA -0.201 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 1.296 56.144 54.840 0.013 0.000 0.747 70 L CB -0.872 41.212 42.059 0.042 0.000 0.896 70 L HN 0.289 nan 8.230 nan 0.000 0.432 71 S N -0.038 115.678 115.700 0.027 0.000 2.368 71 S HA -0.112 4.359 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 1.138 59.354 58.200 0.026 0.000 0.988 71 S CB -0.248 62.979 63.200 0.046 0.000 0.838 71 S HN 0.489 nan 8.310 nan 0.000 0.462 72 A N 1.242 124.062 122.820 0.001 0.000 1.969 72 A HA 0.240 4.561 4.320 0.001 0.000 0.218 72 A C 2.203 179.776 177.584 -0.019 0.000 1.169 72 A CA 1.457 53.486 52.037 -0.013 0.000 0.635 72 A CB -0.726 18.261 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 1.837 179.413 177.584 -0.014 0.000 1.152 73 A CA 1.268 53.293 52.037 -0.020 0.000 0.728 73 A CB -0.821 18.167 19.000 -0.020 0.000 0.814 73 A HN 1.868 nan 8.150 nan 0.000 0.464 74 G N -0.964 107.832 108.800 -0.007 0.000 2.147 74 G HA2 -0.216 3.744 3.960 0.001 0.000 0.244 74 G HA3 -0.216 3.744 3.960 0.001 0.000 0.244 74 G C 0.037 174.935 174.900 -0.003 0.000 1.005 74 G CA 0.376 45.473 45.100 -0.004 0.000 0.713 74 G HN 0.473 nan 8.290 nan 0.000 0.515 75 I N 0.203 120.772 120.570 -0.001 0.000 2.498 75 I HA 0.338 4.508 4.170 0.001 0.000 0.301 75 I C 0.421 176.541 176.117 0.005 0.000 0.984 75 I CA -0.782 60.518 61.300 -0.001 0.000 1.204 75 I CB 1.822 39.819 38.000 -0.005 0.000 1.362 75 I HN 0.212 nan 8.210 nan 0.000 0.471 76 N N 4.363 123.064 118.700 0.002 0.000 2.569 76 N HA 0.229 4.969 4.740 0.001 0.000 0.254 76 N C 0.670 176.182 175.510 0.003 0.000 1.004 76 N CA -0.445 52.605 53.050 0.000 0.000 0.904 76 N CB 1.496 39.977 38.487 -0.009 0.000 1.165 76 N HN 0.507 nan 8.380 nan 0.000 0.513 77 V N 1.807 121.732 119.914 0.019 0.000 2.594 77 V HA 0.191 4.312 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 1.075 63.390 62.300 0.025 0.000 1.082 77 V CB -1.757 30.105 31.823 0.064 0.000 0.680 77 V HN 0.863 nan 8.190 nan 0.000 0.469 78 G N 1.008 109.810 108.800 0.004 0.000 2.757 78 G HA2 -0.114 3.846 3.960 0.001 0.000 0.638 78 G HA3 -0.114 3.846 3.960 0.001 0.000 0.638 78 G C -2.443 172.462 174.900 0.007 0.000 1.344 78 G CA -0.330 44.769 45.100 -0.002 0.000 0.855 78 G HN 0.551 nan 8.290 nan 0.000 0.537 79 P HA 0.253 nan 4.420 nan 0.000 0.256 79 P C 1.218 178.598 177.300 0.133 0.000 1.688 79 P CA 0.083 63.213 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 -0.652 119.971 120.570 0.088 0.000 3.860 80 I HA 0.244 4.414 4.170 0.001 0.000 0.319 80 I C 0.372 176.435 176.117 -0.091 0.000 1.279 80 I CA -0.066 61.282 61.300 0.080 0.000 1.220 80 I CB 0.256 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 -2.276 172.209 174.600 -0.192 0.000 1.143 81 S CA -0.859 57.192 58.200 -0.248 0.000 0.891 81 S CB 1.920 65.173 63.200 0.090 0.000 1.105 81 S HN -0.009 nan 8.310 nan 0.000 0.468 82 P HA 0.190 nan 4.420 nan 0.000 0.240 82 P C 0.001 177.311 177.300 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 0.049 0.000 2.388 83 D HA 0.039 4.679 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 41.002 40.800 0.298 0.000 0.984 83 D HN 0.220 nan 8.370 nan 0.000 0.508 84 Y N 0.696 120.778 120.300 -0.363 0.000 2.425 84 Y HA 0.473 5.023 4.550 0.001 0.000 0.344 84 Y C -1.242 174.430 175.900 -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 6.383 120.252 114.554 -1.141 0.000 2.881 85 T HA 0.196 4.546 4.350 0.001 0.000 0.291 85 T C -1.029 172.838 174.700 -1.389 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 0.745 nan 8.240 nan 0.000 0.438 86 Q N 2.966 122.086 119.800 -1.133 0.000 2.311 86 Q HA 0.038 4.379 4.340 0.001 0.000 0.272 86 Q C -0.680 174.959 176.000 -0.602 0.000 1.012 86 Q CA 0.045 55.449 55.803 -0.665 0.000 0.891 86 Q CB 0.420 29.030 28.738 -0.212 0.000 1.201 86 Q HN 0.618 nan 8.270 nan 0.000 0.391 87 H N 6.471 125.475 119.070 -0.111 0.000 2.685 87 H HA 0.111 4.667 4.556 0.000 0.000 0.286 87 H C 0.564 175.881 175.328 -0.019 0.000 1.102 87 H CA -0.487 55.520 56.048 -0.068 0.000 1.254 87 H CB 1.091 30.820 29.762 -0.055 0.000 1.397 87 H HN 0.752 nan 8.280 nan 0.000 0.473 88 M N 1.412 121.018 119.600 0.010 0.000 2.358 88 M HA -0.084 4.396 4.480 0.001 0.000 0.264 88 M C 2.145 178.469 176.300 0.041 0.000 1.064 88 M CA 0.666 55.977 55.300 0.018 0.000 1.093 88 M CB -0.958 31.634 32.600 -0.013 0.000 1.401 88 M HN 0.581 nan 8.290 nan 0.000 0.440 89 A N 0.099 122.949 122.820 0.049 0.000 2.178 89 A HA -0.084 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 1.624 53.679 52.037 0.030 0.000 0.689 89 A CB -1.042 17.959 19.000 0.002 0.000 0.787 89 A HN 0.489 nan 8.150 nan 0.000 0.465 90 T N 0.236 114.849 114.554 0.099 0.000 2.778 90 T HA -0.192 4.159 4.350 0.001 0.000 0.269 90 T C 1.709 176.470 174.700 0.102 0.000 1.050 90 T CA 1.531 63.722 62.100 0.152 0.000 1.137 90 T CB -0.372 68.632 68.868 0.226 0.000 0.860 90 T HN 0.487 nan 8.240 nan 0.000 0.468 91 I N 1.688 122.298 120.570 0.068 0.000 2.264 91 I HA -0.042 4.129 4.170 0.001 0.000 0.248 91 I C 2.394 178.537 176.117 0.042 0.000 1.111 91 I CA 1.218 62.545 61.300 0.046 0.000 1.382 91 I CB -0.757 37.261 38.000 0.030 0.000 1.060 91 I HN 0.230 nan 8.210 nan 0.000 0.418 92 G N -0.508 108.315 108.800 0.039 0.000 2.408 92 G HA2 -0.145 3.815 3.960 0.001 0.000 0.217 92 G HA3 -0.145 3.815 3.960 0.001 0.000 0.217 92 G C 1.648 176.574 174.900 0.042 0.000 1.150 92 G CA 0.954 46.073 45.100 0.031 0.000 0.776 92 G HN 0.352 nan 8.290 nan 0.000 0.542 93 V N 0.926 120.876 119.914 0.061 0.000 2.261 93 V HA -0.116 4.004 4.120 0.001 0.000 0.246 93 V C 2.745 178.884 176.094 0.076 0.000 1.047 93 V CA 1.153 63.503 62.300 0.083 0.000 1.015 93 V CB -0.460 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 0.260 121.527 121.223 0.073 0.000 2.265 94 L HA 0.016 4.356 4.340 0.001 0.000 0.215 94 L C 2.241 179.143 176.870 0.053 0.000 1.117 94 L CA 1.880 56.755 54.840 0.059 0.000 0.782 94 L CB -1.409 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 -2.162 120.686 122.820 0.047 0.000 2.275 95 A HA 0.101 4.421 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 0.022 52.084 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 3.221 117.805 114.554 0.050 0.000 2.738 96 T HA 0.233 4.584 4.350 0.001 0.000 0.293 96 T C -1.496 173.235 174.700 0.053 0.000 0.913 96 T CA -0.718 61.408 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 -0.048 nan 4.420 nan 0.000 0.231 97 P C 0.655 177.972 177.300 0.028 0.000 1.158 97 P CA 0.794 63.924 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 -0.360 119.853 120.200 0.022 0.000 2.385 98 E HA 0.104 4.454 4.350 0.001 0.000 0.194 98 E C 0.871 177.474 176.600 0.003 0.000 1.013 98 E CA 0.118 56.521 56.400 0.005 0.000 0.866 98 E CB -0.296 29.407 29.700 0.005 0.000 0.832 98 E HN 0.348 nan 8.360 nan 0.000 0.500 99 I N 3.895 124.481 120.570 0.026 0.000 2.379 99 I HA 0.136 4.307 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 -1.955 59.364 61.300 0.031 0.000 1.351 99 I CB 0.502 38.537 38.000 0.058 0.000 1.410 99 I HN -0.110 nan 8.210 nan 0.000 0.505 100 P HA 0.279 nan 4.420 nan 0.000 0.279 100 P C -1.094 176.182 177.300 -0.041 0.000 1.252 100 P CA -0.219 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 -1.656 118.295 119.950 0.002 0.000 2.538 101 F HA 0.662 5.189 4.527 0.000 0.000 0.325 101 F C 0.398 176.199 175.800 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 39.303 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 0.202 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 -0.113 62.068 62.100 0.136 0.000 1.021 102 T CB 1.144 70.066 68.868 0.089 0.000 1.013 102 T HN 0.746 nan 8.240 nan 0.000 0.527 103 T N 1.344 115.968 114.554 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 68.463 68.868 0.059 0.000 0.864 103 T HN 0.739 nan 8.240 nan 0.000 0.444 104 E N 1.446 121.695 120.200 0.080 0.000 2.038 104 E HA -0.022 4.328 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 28.962 29.700 0.053 0.000 0.750 104 E HN 0.490 nan 8.360 nan 0.000 0.448 105 A N 0.951 123.823 122.820 0.087 0.000 1.902 105 A HA -0.113 4.208 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 2.133 54.206 52.037 0.060 0.000 0.623 105 A CB -0.924 18.119 19.000 0.072 0.000 0.818 105 A HN 0.278 nan 8.150 nan 0.000 0.443 106 A N 0.263 123.121 122.820 0.064 0.000 1.858 106 A HA -0.209 4.111 4.320 0.001 0.000 0.216 106 A C 1.996 179.580 177.584 0.001 0.000 1.190 106 A CA 1.635 53.662 52.037 -0.017 0.000 0.617 106 A CB -0.710 18.405 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 -0.184 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 1.536 54.609 53.050 0.038 0.000 0.856 107 N CB -0.189 38.322 38.487 0.039 0.000 0.993 107 N HN 0.815 nan 8.380 nan 0.000 0.426 108 E N 1.009 121.249 120.200 0.066 0.000 2.072 108 E HA -0.125 4.226 4.350 0.001 0.000 0.191 108 E C 1.822 178.489 176.600 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 1.494 122.075 120.570 0.018 0.000 2.315 109 I HA -0.158 4.013 4.170 0.001 0.000 0.248 109 I C 2.574 178.681 176.117 -0.016 0.000 1.117 109 I CA 1.218 62.501 61.300 -0.029 0.000 1.404 109 I CB -1.603 36.336 38.000 -0.101 0.000 1.071 109 I HN 0.211 nan 8.210 nan 0.000 0.419 110 A N 0.808 123.622 122.820 -0.009 0.000 1.933 110 A HA -0.244 4.077 4.320 0.001 0.000 0.218 110 A C 2.461 180.056 177.584 0.017 0.000 1.175 110 A CA 1.805 53.838 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 -0.142 120.392 120.500 0.057 0.000 2.070 111 R HA -0.080 4.261 4.340 0.001 0.000 0.233 111 R C 1.917 178.286 176.300 0.116 0.000 1.137 111 R CA 2.042 58.196 56.100 0.090 0.000 0.945 111 R CB -1.138 29.244 30.300 0.137 0.000 0.845 111 R HN 0.237 nan 8.270 nan 0.000 0.430 112 V N 0.129 120.122 119.914 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 0.489 nan 8.190 nan 0.000 0.447 113 T N -0.054 114.488 114.554 -0.020 0.000 2.737 113 T HA -0.066 4.284 4.350 0.001 0.000 0.265 113 T C 1.881 176.552 174.700 -0.049 0.000 1.038 113 T CA 1.469 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 1.936 110.717 108.800 -0.031 0.000 2.421 114 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 114 G HA3 -0.245 3.715 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 -0.387 119.788 120.200 -0.041 0.000 2.107 115 E HA -0.009 4.342 4.350 0.001 0.000 0.191 115 E C 2.191 178.715 176.600 -0.127 0.000 0.982 115 E CA 1.586 57.949 56.400 -0.061 0.000 0.809 115 E CB -1.036 28.659 29.700 -0.009 0.000 0.756 115 E HN 0.188 nan 8.360 nan 0.000 0.459 116 T N -0.013 114.474 114.554 -0.112 0.000 2.881 116 T HA -0.106 4.244 4.350 0.001 0.000 0.270 116 T C 1.674 176.223 174.700 -0.253 0.000 1.068 116 T CA 1.537 63.546 62.100 -0.151 0.000 1.131 116 T CB -0.391 68.420 68.868 -0.095 0.000 0.871 116 T HN 0.465 nan 8.240 nan 0.000 0.479 117 S N -0.788 114.763 115.700 -0.249 0.000 2.575 117 S HA 0.210 4.680 4.470 0.001 0.000 0.215 117 S C 0.839 175.128 174.600 -0.517 0.000 0.966 117 S CA -0.210 57.807 58.200 -0.305 0.000 0.911 117 S CB 0.256 63.354 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 -0.601 0.000 2.604 118 T HA 0.605 4.955 4.350 0.001 0.000 0.267 118 T C -1.957 172.183 174.700 -0.932 0.000 0.923 118 T CA -0.785 60.890 62.100 -0.709 0.000 1.077 118 T CB 0.984 69.725 68.868 -0.210 0.000 1.392 118 T HN 0.433 nan 8.240 nan 0.000 0.531 119 W N -0.237 121.070 121.300 0.012 0.000 3.033 119 W HA 0.639 5.299 4.660 0.000 0.000 0.336 119 W C -0.147 176.379 176.519 0.012 0.000 1.173 119 W CA -0.956 56.396 57.345 0.012 0.000 1.185 119 W CB 1.699 31.165 29.460 0.010 0.000 1.425 119 W HN 1.024 nan 8.180 nan 0.000 0.536 120 G N 1.917 110.846 108.800 0.214 0.000 2.673 120 G HA2 0.571 4.532 3.960 0.001 0.000 0.292 120 G HA3 0.571 4.532 3.960 0.001 0.000 0.292 120 G C -3.088 171.879 174.900 0.112 0.000 1.450 120 G CA -0.978 44.201 45.100 0.132 0.000 0.837 120 G HN 0.005 nan 8.290 nan 0.000 0.505 121 P HA 0.476 nan 4.420 nan 0.000 0.271 121 P C -0.464 176.870 177.300 0.058 0.000 1.216 121 P CA 0.074 63.222 63.100 0.081 0.000 0.771 121 P CB 1.678 33.430 31.700 0.086 0.000 0.864 122 A N 3.279 126.126 122.820 0.044 0.000 2.517 122 A HA 0.427 4.747 4.320 0.001 0.000 0.297 122 A C -0.278 177.290 177.584 -0.027 0.000 1.050 122 A CA -0.904 51.136 52.037 0.005 0.000 0.694 122 A CB 1.292 20.288 19.000 -0.006 0.000 1.277 122 A HN 0.434 nan 8.150 nan 0.000 0.400 123 R N 1.861 122.332 120.500 -0.048 0.000 2.446 123 R HA 0.121 4.461 4.340 0.001 0.000 0.314 123 R C -0.165 176.033 176.300 -0.171 0.000 1.003 123 R CA 0.066 56.120 56.100 -0.077 0.000 1.018 123 R CB 0.330 30.531 30.300 -0.166 0.000 0.945 123 R HN 0.670 nan 8.270 nan 0.000 0.419 124 Q N 4.370 123.971 119.800 -0.331 0.000 2.354 124 Q HA 0.083 4.424 4.340 0.001 0.000 0.244 124 Q C -1.281 174.553 176.000 -0.277 0.000 0.969 124 Q CA -1.533 54.037 55.803 -0.389 0.000 0.885 124 Q CB 0.633 28.935 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 1.450 64.292 63.100 -0.430 0.000 0.828 125 P CB 0.280 31.486 31.700 -0.823 0.000 0.788 126 Y N 0.014 120.401 120.300 0.145 0.000 2.618 126 Y HA 0.589 5.139 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 -1.477 56.734 58.100 0.185 0.000 1.269 126 Y CB -0.538 38.020 38.460 0.164 0.000 1.388 126 Y HN -0.178 nan 8.280 nan 0.000 0.528 127 G N -0.085 108.984 108.800 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 -0.247 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 1.647 121.654 119.950 0.096 0.000 2.192 128 F HA -0.040 4.488 4.527 0.000 0.000 0.301 128 F C 1.424 176.924 175.800 -0.500 0.000 1.079 128 F CA 1.192 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 -0.603 119.467 119.950 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 0.094 0.000 1.346 129 F CB -0.364 38.710 39.000 0.122 0.000 0.965 129 F HN -0.113 nan 8.300 nan 0.000 0.514 130 L N 0.484 121.812 121.223 0.175 0.000 2.079 130 L HA -0.112 4.228 4.340 0.001 0.000 0.210 130 L C 1.147 178.075 176.870 0.095 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 0.518 120.763 120.200 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 -0.014 56.420 56.400 0.056 0.000 1.486 131 E CB -0.219 29.501 29.700 0.033 0.000 1.466 131 E HN 0.418 nan 8.360 nan 0.000 0.473 132 T N -2.628 111.978 114.554 0.086 0.000 2.856 132 T HA 0.295 4.645 4.350 0.001 0.000 0.283 132 T C 0.769 175.496 174.700 0.045 0.000 1.008 132 T CA -0.867 61.281 62.100 0.080 0.000 0.997 132 T CB 2.116 71.047 68.868 0.106 0.000 0.992 132 T HN 0.070 nan 8.240 nan 0.000 0.454 133 E N 0.809 121.028 120.200 0.030 0.000 2.318 133 E HA 0.063 4.413 4.350 0.001 0.000 0.193 133 E C 0.172 176.769 176.600 -0.006 0.000 0.998 133 E CA 0.566 56.972 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 -0.032 120.168 120.200 -0.000 0.000 2.312 134 E HA 0.388 4.739 4.350 0.001 0.000 0.267 134 E C -0.868 175.729 176.600 -0.004 0.000 0.894 134 E CA -0.456 55.924 56.400 -0.034 0.000 0.773 134 E CB 2.505 32.187 29.700 -0.029 0.000 1.241 134 E HN -0.186 nan 8.360 nan 0.000 0.432 135 T N 1.013 115.527 114.554 -0.066 0.000 2.900 135 T HA 0.595 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 69.392 68.868 -0.008 0.000 1.156 135 T HN 0.256 nan 8.240 nan 0.000 0.490 136 F N 2.490 122.333 119.950 -0.179 0.000 2.469 136 F HA 0.482 5.010 4.527 0.001 0.000 0.332 136 F C 0.717 176.448 175.800 -0.115 0.000 1.103 136 F CA -0.866 57.018 58.000 -0.193 0.000 0.979 136 F CB 1.726 40.553 39.000 -0.288 0.000 1.137 136 F HN 0.524 nan 8.300 nan 0.000 0.463 137 Q N 5.710 125.527 119.800 0.028 0.000 2.269 137 Q HA 0.027 4.368 4.340 0.001 0.000 0.300 137 Q C -2.277 173.772 176.000 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 29.307 28.738 0.048 0.000 1.131 137 Q HN 0.205 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 0.645 32.376 31.700 0.051 0.000 0.828 139 G N 2.279 111.134 108.800 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 0.153 45.342 45.100 0.148 0.000 0.689 139 G HN 0.831 nan 8.290 nan 0.000 0.522 140 R N -0.139 120.492 120.500 0.218 0.000 2.437 140 R HA 0.440 4.780 4.340 0.001 0.000 0.310 140 R C 0.473 176.978 176.300 0.342 0.000 0.955 140 R CA -1.175 55.106 56.100 0.301 0.000 0.851 140 R CB 0.644 31.085 30.300 0.236 0.000 1.161 140 R HN 0.274 nan 8.270 nan 0.000 0.446 141 W N 6.660 128.119 121.300 0.265 0.000 2.231 141 W HA 0.104 4.765 4.660 0.001 0.000 0.341 141 W C -1.654 175.030 176.519 0.276 0.000 1.298 141 W CA 0.549 58.029 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 0.593 nan 8.180 nan 0.000 0.568 142 F N 8.056 127.635 119.950 -0.619 0.000 2.749 142 F HA 0.306 4.834 4.527 0.001 0.000 0.339 142 F C -1.711 173.738 175.800 -0.585 0.000 1.211 142 F CA -1.003 56.786 58.000 -0.353 0.000 1.099 142 F CB 0.737 39.703 39.000 -0.056 0.000 1.359 142 F HN 0.224 nan 8.300 nan 0.000 0.549 143 M N 6.595 125.684 119.600 -0.852 0.000 2.253 143 M HA 0.534 5.014 4.480 0.001 0.000 0.314 143 M C -0.966 174.979 176.300 -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 34.106 32.600 -0.261 0.000 1.606 143 M HN 0.647 nan 8.290 nan 0.000 0.430 144 R N 3.105 123.404 120.500 -0.335 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 0.067 56.054 56.100 -0.188 0.000 1.034 144 R CB 0.688 30.979 30.300 -0.015 0.000 0.993 144 R HN 0.925 nan 8.270 nan 0.000 0.459 145 A N 3.390 126.151 122.820 -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 -0.507 18.474 19.000 -0.031 0.000 0.962 145 A HN 1.307 nan 8.150 nan 0.000 0.512 146 A N 1.636 124.441 122.820 -0.024 0.000 3.526 146 A HA -0.169 4.151 4.320 0.001 0.000 0.254 146 A C 0.462 178.036 177.584 -0.015 0.000 1.109 146 A CA 1.537 53.566 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 -1.672 118.111 119.800 -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 0.906 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 4.554 4.320 0.001 0.000 0.209 148 A C 0.219 177.782 177.584 -0.036 0.000 1.181 148 A CA 0.265 52.301 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 -1.372 118.492 119.914 -0.084 0.000 2.638 149 V HA 0.774 4.894 4.120 0.001 0.000 0.306 149 V C -1.309 174.684 176.094 -0.168 0.000 1.052 149 V CA -0.115 62.100 62.300 -0.142 0.000 0.885 149 V CB 1.855 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 5.655 120.065 114.554 -0.239 0.000 2.949 150 T HA 0.787 5.137 4.350 0.001 0.000 0.300 150 T C -0.166 174.371 174.700 -0.272 0.000 0.988 150 T CA 0.161 62.127 62.100 -0.224 0.000 0.993 150 T CB 1.312 70.058 68.868 -0.203 0.000 0.984 150 T HN 1.415 nan 8.240 nan 0.000 0.442 151 A N 2.970 125.637 122.820 -0.255 0.000 2.301 151 A HA 0.901 5.221 4.320 0.001 0.000 0.312 151 A C -0.476 176.866 177.584 -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 0.501 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 -0.709 0.000 0.999 152 V CB 2.378 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 4.364 123.962 119.914 -0.526 0.000 2.498 153 V HA 0.399 4.519 4.120 0.001 0.000 0.279 153 V C 0.661 176.634 176.094 -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 32.260 31.823 -0.633 0.000 0.988 153 V HN 1.288 nan 8.190 nan 0.000 0.473 154 C N 3.262 122.464 119.300 -0.164 0.000 3.255 154 C HA 0.874 5.335 4.460 0.001 0.000 0.282 154 C C 0.836 175.823 174.990 -0.005 0.000 1.441 154 C CA -0.040 58.955 59.018 -0.039 0.000 1.785 154 C CB -1.309 26.414 27.740 -0.027 0.000 2.583 154 C HN 1.486 nan 8.230 nan 0.000 0.615 155 G N 0.355 109.151 108.800 -0.005 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 -0.180 nan 8.290 nan 0.000 0.490 156 P HA 0.104 nan 4.420 nan 0.000 0.226 156 P C 0.376 177.912 177.300 0.394 0.000 1.153 156 P CA 1.423 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 -2.979 117.642 120.400 0.369 0.000 2.620 157 D HA 0.257 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 -0.340 40.651 40.800 0.319 0.000 1.096 157 D HN 0.059 nan 8.370 nan 0.000 0.488 158 M N 1.152 120.942 119.600 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 0.505 120.998 120.570 -0.127 0.000 2.934 159 I HA 0.726 4.896 4.170 0.001 0.000 0.306 159 I C -1.698 174.323 176.117 -0.159 0.000 1.110 159 I CA -0.552 60.576 61.300 -0.286 0.000 1.019 159 I CB 2.457 40.187 38.000 -0.450 0.000 1.227 159 I HN 0.796 nan 8.210 nan 0.000 0.434 160 Q N 3.382 123.057 119.800 -0.209 0.000 2.397 160 Q HA 0.782 5.123 4.340 0.001 0.000 0.275 160 Q C -1.879 173.980 176.000 -0.236 0.000 1.090 160 Q CA -1.008 54.694 55.803 -0.169 0.000 0.809 160 Q CB 2.925 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 4.566 4.120 0.001 0.000 0.302 161 V C -0.510 175.394 176.094 -0.317 0.000 1.035 161 V CA -0.719 61.422 62.300 -0.265 0.000 0.873 161 V CB 1.812 33.500 31.823 -0.224 0.000 0.992 161 V HN 0.865 nan 8.190 nan 0.000 0.428 162 S N 5.974 121.410 115.700 -0.440 0.000 2.457 162 S HA 0.684 5.155 4.470 0.001 0.000 0.289 162 S C -0.633 173.693 174.600 -0.457 0.000 1.163 162 S CA -0.559 57.236 58.200 -0.675 0.000 1.078 162 S CB 0.780 63.144 63.200 -1.394 0.000 0.987 162 S HN 0.431 nan 8.310 nan 0.000 0.482 163 L N 3.659 124.783 121.223 -0.165 0.000 2.333 163 L HA 0.479 4.819 4.340 0.001 0.000 0.280 163 L C 0.228 177.263 176.870 0.275 0.000 1.004 163 L CA -0.668 54.172 54.840 0.001 0.000 0.820 163 L CB 1.285 43.325 42.059 -0.031 0.000 1.247 163 L HN 0.523 nan 8.230 nan 0.000 0.416 164 N N 1.163 120.009 118.700 0.243 0.000 2.399 164 N HA 0.251 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 53.036 53.050 0.256 0.000 0.928 164 N CB 1.178 39.768 38.487 0.171 0.000 1.158 164 N HN 0.732 nan 8.380 nan 0.000 0.463 165 A N 0.124 122.998 122.820 0.090 0.000 2.546 165 A HA 0.386 4.706 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 -0.777 18.239 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 4.026 3.960 0.001 0.000 0.267 166 G HA3 0.066 4.026 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 0.847 45.978 45.100 0.052 0.000 0.644 166 G HN 2.226 nan 8.290 nan 0.000 0.537 167 A N -0.071 122.791 122.820 0.070 0.000 2.366 167 A HA 0.789 5.109 4.320 0.001 0.000 0.249 167 A C 0.742 178.383 177.584 0.096 0.000 1.084 167 A CA 0.938 53.014 52.037 0.066 0.000 0.794 167 A CB 0.288 19.308 19.000 0.033 0.000 1.034 167 A HN 1.536 nan 8.150 nan 0.000 0.491 168 R N 0.078 120.597 120.500 0.032 0.000 2.643 168 R HA 0.739 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 -0.310 55.750 56.100 -0.068 0.000 0.894 168 R CB 1.352 31.635 30.300 -0.028 0.000 1.238 168 R HN 1.515 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 -1.948 172.853 174.900 -0.164 0.000 1.450 169 G CA -0.745 44.265 45.100 -0.150 0.000 0.790 169 G HN 0.463 nan 8.290 nan 0.000 0.496 170 D N -0.477 119.928 120.400 0.008 0.000 2.175 170 D HA 0.519 5.159 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 -0.285 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 2.347 122.239 119.914 -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 0.228 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 1.429 121.312 119.800 0.138 0.000 2.152 172 Q HA -0.298 4.042 4.340 0.001 0.000 0.206 172 Q C 1.783 178.030 176.000 0.412 0.000 0.985 172 Q CA 2.132 58.148 55.803 0.354 0.000 0.863 172 Q CB -0.639 28.324 28.738 0.374 0.000 0.904 172 Q HN 0.757 nan 8.270 nan 0.000 0.422 173 Q N 0.744 120.679 119.800 0.226 0.000 2.364 173 Q HA -0.128 4.213 4.340 0.001 0.000 0.209 173 Q C 1.905 178.003 176.000 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 0.039 120.679 120.570 0.118 0.000 2.493 174 I HA -0.114 4.056 4.170 0.001 0.000 0.254 174 I C 1.316 177.500 176.117 0.111 0.000 1.160 174 I CA 0.868 62.157 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 0.227 120.375 119.950 0.331 0.000 2.664 175 F HA 0.156 4.683 4.527 0.001 0.000 0.296 175 F C 1.491 177.480 175.800 0.316 0.000 1.125 175 F CA 0.147 58.388 58.000 0.402 0.000 1.444 175 F CB -0.457 38.756 39.000 0.355 0.000 1.114 175 F HN 0.027 nan 8.300 nan 0.000 0.576 176 Q N -0.420 119.610 119.800 0.383 0.000 2.312 176 Q HA 0.408 4.748 4.340 0.001 0.000 0.236 176 Q C 1.374 177.461 176.000 0.145 0.000 0.965 176 Q CA 0.456 56.391 55.803 0.220 0.000 0.894 176 Q CB 0.806 29.642 28.738 0.163 0.000 1.225 176 Q HN 0.370 nan 8.270 nan 0.000 0.478 177 G N 0.955 109.803 108.800 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 -0.167 174.734 174.900 0.002 0.000 0.987 177 G CA 0.416 45.539 45.100 0.038 0.000 0.625 177 G HN 0.578 nan 8.290 nan 0.000 0.532 178 R N 0.318 120.808 120.500 -0.017 0.000 2.514 178 R HA 0.683 5.024 4.340 0.001 0.000 0.301 178 R C 0.601 176.748 176.300 -0.254 0.000 0.962 178 R CA -0.211 55.801 56.100 -0.147 0.000 0.882 178 R CB 0.940 31.104 30.300 -0.227 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 4.456 4.740 0.001 0.000 0.299 179 N C -1.020 174.453 175.510 -0.062 0.000 0.905 179 N CA 1.217 54.166 53.050 -0.169 0.000 1.035 179 N CB -0.429 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 0.104 120.514 120.400 0.017 0.000 3.118 180 D HA 0.269 4.910 4.640 0.001 0.000 0.286 180 D C -2.783 173.557 176.300 0.065 0.000 1.255 180 D CA -1.031 52.978 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 0.208 0.000 0.923 182 M N 0.231 119.857 119.600 0.043 0.000 2.653 182 M HA 0.191 4.672 4.480 0.001 0.000 0.259 182 M C 0.497 176.747 176.300 -0.084 0.000 1.244 182 M CA 0.834 56.123 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 0.162 119.723 119.600 -0.064 0.000 2.413 183 M HA 0.516 4.996 4.480 0.001 0.000 0.287 183 M C -2.076 174.065 176.300 -0.265 0.000 1.186 183 M CA -0.161 54.993 55.300 -0.244 0.000 0.927 183 M CB 2.513 34.986 32.600 -0.212 0.000 1.715 183 M HN -0.046 nan 8.290 nan 0.000 0.478 184 I N 3.818 124.091 120.570 -0.495 0.000 2.466 184 I HA 0.362 4.533 4.170 0.001 0.000 0.289 184 I C -1.562 174.228 176.117 -0.545 0.000 1.026 184 I CA -0.754 60.328 61.300 -0.362 0.000 1.078 184 I CB 1.710 39.484 38.000 -0.376 0.000 1.249 184 I HN 0.599 nan 8.210 nan 0.000 0.429 185 Y N 6.259 126.387 120.300 -0.286 0.000 2.369 185 Y HA 0.478 5.028 4.550 0.000 0.000 0.337 185 Y C -0.322 175.459 175.900 -0.197 0.000 0.961 185 Y CA -0.755 57.138 58.100 -0.346 0.000 1.186 185 Y CB 1.028 38.988 38.460 -0.834 0.000 1.139 185 Y HN 0.300 nan 8.280 nan 0.000 0.494 186 L N 3.879 125.094 121.223 -0.013 0.000 2.334 186 L HA 0.739 5.080 4.340 0.001 0.000 0.270 186 L C -0.534 176.378 176.870 0.070 0.000 1.018 186 L CA -1.192 53.661 54.840 0.023 0.000 0.811 186 L CB 1.958 43.993 42.059 -0.041 0.000 1.271 186 L HN 0.411 nan 8.230 nan 0.000 0.443 187 V N 2.384 122.354 119.914 0.095 0.000 2.711 187 V HA 0.637 4.757 4.120 0.001 0.000 0.304 187 V C -1.701 174.464 176.094 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 5.905 127.200 121.300 -0.009 0.000 2.606 188 W HA 0.859 5.520 4.660 0.001 0.000 0.332 188 W C -1.257 175.257 176.519 -0.008 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 2.215 122.778 120.500 0.104 0.000 2.795 189 R HA 0.472 4.812 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 2.881 33.153 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 0.277 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 56.025 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 3.572 124.200 120.570 0.097 0.000 2.329 191 I HA -0.024 4.146 4.170 0.001 0.000 0.295 191 I C 1.238 177.474 176.117 0.198 0.000 1.109 191 I CA 0.036 61.402 61.300 0.109 0.000 1.297 191 I CB 1.007 39.044 38.000 0.061 0.000 1.433 191 I HN 0.612 nan 8.210 nan 0.000 0.509 192 E N 4.842 125.140 120.200 0.163 0.000 2.204 192 E HA -0.112 4.238 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 1.161 57.658 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 -1.453 174.209 175.510 0.254 0.000 1.103 193 N CA -0.386 52.757 53.050 0.154 0.000 0.877 193 N CB 0.525 39.056 38.487 0.073 0.000 1.419 193 N HN -0.066 nan 8.380 nan 0.000 0.517 194 F N 1.449 121.441 119.950 0.070 0.000 2.631 194 F HA 0.878 5.406 4.527 0.001 0.000 0.328 194 F C -0.620 175.234 175.800 0.090 0.000 1.067 194 F CA -1.263 56.794 58.000 0.095 0.000 0.969 194 F CB 0.683 39.768 39.000 0.142 0.000 1.332 194 F HN 0.243 nan 8.300 nan 0.000 0.490 195 A N 3.068 126.064 122.820 0.294 0.000 2.290 195 A HA 0.655 4.975 4.320 0.001 0.000 0.310 195 A C -0.191 177.549 177.584 0.259 0.000 1.202 195 A CA -0.732 51.401 52.037 0.161 0.000 0.837 195 A CB 0.353 19.452 19.000 0.164 0.000 1.139 195 A HN 0.737 nan 8.150 nan 0.000 0.509 196 M N 1.731 121.374 119.600 0.071 0.000 2.227 196 M HA 0.268 4.749 4.480 0.001 0.000 0.316 196 M C 1.675 178.055 176.300 0.132 0.000 1.144 196 M CA 0.057 55.391 55.300 0.057 0.000 1.121 196 M CB 0.878 33.390 32.600 -0.147 0.000 1.440 196 M HN 0.883 nan 8.290 nan 0.000 0.473 197 A N 0.845 123.759 122.820 0.157 0.000 1.986 197 A HA -0.192 4.128 4.320 0.001 0.000 0.220 197 A C 1.794 179.437 177.584 0.099 0.000 1.171 197 A CA 1.584 53.733 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 -2.147 117.677 119.800 0.041 0.000 2.230 198 Q HA 0.099 4.440 4.340 0.001 0.000 0.202 198 Q C 1.560 177.572 176.000 0.021 0.000 0.963 198 Q CA 1.330 57.144 55.803 0.018 0.000 0.866 198 Q CB 0.060 28.790 28.738 -0.014 0.000 0.931 198 Q HN 1.005 nan 8.270 nan 0.000 0.452 199 G N 0.825 109.639 108.800 0.024 0.000 2.296 199 G HA2 -0.208 3.752 3.960 0.001 0.000 0.188 199 G HA3 -0.208 3.752 3.960 0.001 0.000 0.188 199 G C -0.036 174.861 174.900 -0.005 0.000 1.000 199 G CA -0.059 45.055 45.100 0.022 0.000 0.672 199 G HN 0.518 nan 8.290 nan 0.000 0.483 200 N N 0.663 119.341 118.700 -0.037 0.000 2.524 200 N HA 0.592 5.332 4.740 0.001 0.000 0.283 200 N C 0.273 175.713 175.510 -0.117 0.000 1.142 200 N CA 0.095 53.104 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 0.247 115.873 115.700 -0.124 0.000 2.579 201 S HA 0.095 4.565 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 63.863 63.200 -0.122 0.000 0.892 201 S HN 0.744 nan 8.310 nan 0.000 0.529 202 Q N 0.679 120.148 119.800 -0.551 0.000 2.418 202 Q HA 0.510 4.850 4.340 0.001 0.000 0.282 202 Q C -1.638 173.986 176.000 -0.626 0.000 1.044 202 Q CA -0.568 54.821 55.803 -0.690 0.000 0.813 202 Q CB 1.528 29.628 28.738 -1.063 0.000 1.428 202 Q HN 0.555 nan 8.270 nan 0.000 0.402 203 Q N 0.025 119.675 119.800 -0.251 0.000 2.248 203 Q HA 0.658 4.998 4.340 0.001 0.000 0.263 203 Q C -1.187 174.955 176.000 0.236 0.000 1.007 203 Q CA -0.389 55.425 55.803 0.018 0.000 0.877 203 Q CB 2.318 31.064 28.738 0.013 0.000 1.315 203 Q HN 0.656 nan 8.270 nan 0.000 0.454 204 T N 2.879 117.618 114.554 0.308 0.000 2.749 204 T HA 0.301 4.651 4.350 0.001 0.000 0.287 204 T C -0.690 174.100 174.700 0.151 0.000 0.970 204 T CA -0.761 61.506 62.100 0.278 0.000 0.980 204 T CB 0.732 69.749 68.868 0.248 0.000 0.924 204 T HN 0.307 nan 8.240 nan 0.000 0.456 205 Q N 1.723 121.590 119.800 0.113 0.000 2.340 205 Q HA 0.505 4.846 4.340 0.001 0.000 0.249 205 Q C 0.265 176.307 176.000 0.069 0.000 0.957 205 Q CA -0.375 55.470 55.803 0.071 0.000 0.882 205 Q CB 0.765 29.531 28.738 0.046 0.000 1.235 205 Q HN 0.828 nan 8.270 nan 0.000 0.439 206 A N 0.310 123.164 122.820 0.057 0.000 2.445 206 A HA 0.497 4.817 4.320 0.001 0.000 0.242 206 A C 1.061 178.674 177.584 0.050 0.000 1.075 206 A CA 0.800 52.874 52.037 0.062 0.000 0.777 206 A CB -0.050 18.979 19.000 0.048 0.000 1.013 206 A HN 0.915 nan 8.150 nan 0.000 0.493 207 G N 0.042 108.879 108.800 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 0.126 175.023 174.900 -0.006 0.000 1.002 207 G CA -0.063 45.052 45.100 0.025 0.000 0.723 207 G HN 1.255 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 0.547 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 0.957 63.227 62.300 -0.050 0.000 1.106 208 V CB 1.116 32.936 31.823 -0.004 0.000 0.957 208 V HN 0.909 nan 8.190 nan 0.000 0.486 209 T N 1.300 115.744 114.554 -0.184 0.000 2.906 209 T HA 0.778 5.128 4.350 0.001 0.000 0.295 209 T C -1.016 173.397 174.700 -0.478 0.000 1.061 209 T CA -0.739 61.234 62.100 -0.212 0.000 1.000 209 T CB 1.855 70.711 68.868 -0.020 0.000 1.103 209 T HN 0.349 nan 8.240 nan 0.000 0.486 210 V N 2.504 122.035 119.914 -0.637 0.000 2.588 210 V HA 0.815 4.936 4.120 0.001 0.000 0.304 210 V C -0.142 175.771 176.094 -0.302 0.000 1.042 210 V CA -0.701 61.177 62.300 -0.702 0.000 0.877 210 V CB 1.787 32.748 31.823 -1.437 0.000 0.996 210 V HN 1.292 nan 8.190 nan 0.000 0.425 211 S N 3.587 119.171 115.700 -0.193 0.000 2.536 211 S HA 0.847 5.317 4.470 0.001 0.000 0.287 211 S C -1.197 173.332 174.600 -0.119 0.000 1.101 211 S CA -0.719 57.428 58.200 -0.088 0.000 0.950 211 S CB 2.059 65.249 63.200 -0.017 0.000 1.056 211 S HN 0.434 nan 8.310 nan 0.000 0.481 212 V N 2.257 122.114 119.914 -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 0.479 32.232 31.823 -0.116 0.000 0.990 212 V HN 1.693 nan 8.190 nan 0.000 0.430 213 G N 3.708 112.506 108.800 -0.003 0.000 2.283 213 G HA2 0.025 3.985 3.960 0.001 0.000 0.280 213 G HA3 0.025 3.985 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 0.946 46.054 45.100 0.013 0.000 0.840 213 G HN 2.254 nan 8.290 nan 0.000 0.505 214 G N -2.881 105.894 108.800 -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 1.183 46.251 45.100 -0.053 0.000 0.621 214 G HN 2.176 nan 8.290 nan 0.000 0.519 215 V N 1.076 120.983 119.914 -0.013 0.000 2.567 215 V HA 0.659 4.779 4.120 0.001 0.000 0.289 215 V C -0.053 176.047 176.094 0.009 0.000 1.049 215 V CA -0.309 61.993 62.300 0.003 0.000 0.969 215 V CB 1.565 33.396 31.823 0.013 0.000 0.995 215 V HN 0.253 nan 8.190 nan 0.000 0.471 216 D N 5.926 126.342 120.400 0.026 0.000 2.348 216 D HA 0.361 5.001 4.640 0.001 0.000 0.253 216 D C -0.253 176.094 176.300 0.078 0.000 1.161 216 D CA 0.055 54.082 54.000 0.046 0.000 0.876 216 D CB 0.612 41.447 40.800 0.058 0.000 1.160 216 D HN 0.459 nan 8.370 nan 0.000 0.459 217 M N 2.870 122.540 119.600 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 -0.531 54.889 55.300 0.200 0.000 0.982 217 M CB 1.636 34.349 32.600 0.189 0.000 1.651 217 M HN 0.254 nan 8.290 nan 0.000 0.437 218 R N 0.920 121.558 120.500 0.230 0.000 2.738 218 R HA 0.567 4.908 4.340 0.001 0.000 0.268 218 R C 0.230 176.477 176.300 -0.089 0.000 1.062 218 R CA -0.247 55.935 56.100 0.136 0.000 1.158 218 R CB 0.504 30.818 30.300 0.023 0.000 1.046 218 R HN 0.824 nan 8.270 nan 0.000 0.493 219 A N 0.399 122.903 122.820 -0.527 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 51.477 52.037 -1.269 0.000 0.812 219 A CB 0.407 18.414 19.000 -1.656 0.000 1.056 219 A HN 0.862 nan 8.150 nan 0.000 0.489 220 G N -0.130 108.375 108.800 -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 0.947 45.904 45.100 -0.238 0.000 0.736 220 G HN 0.885 nan 8.290 nan 0.000 0.513 221 R N -1.057 119.377 120.500 -0.109 0.000 2.673 221 R HA 0.664 5.004 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 0.973 31.264 30.300 -0.017 0.000 1.201 221 R HN 0.197 nan 8.270 nan 0.000 0.457 222 I N 3.983 124.585 120.570 0.053 0.000 2.648 222 I HA 0.116 4.286 4.170 0.001 0.000 0.284 222 I C 0.047 176.229 176.117 0.109 0.000 1.153 222 I CA 0.595 61.952 61.300 0.096 0.000 1.426 222 I CB 0.384 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 5.739 126.372 120.570 0.106 0.000 2.465 223 I HA 0.402 4.572 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 0.343 4.663 4.320 0.001 0.000 0.311 224 A C -1.322 176.191 177.584 -0.118 0.000 1.339 224 A CA -0.176 51.745 52.037 -0.194 0.000 0.960 224 A CB -0.081 18.914 19.000 -0.008 0.000 1.152 224 A HN 0.700 nan 8.150 nan 0.000 0.547 225 W N 4.231 125.271 121.300 -0.434 0.000 2.587 225 W HA 0.401 5.061 4.660 0.001 0.000 0.324 225 W C 0.347 176.674 176.519 -0.321 0.000 1.040 225 W CA -1.237 55.913 57.345 -0.324 0.000 1.222 225 W CB 1.340 30.593 29.460 -0.345 0.000 1.381 225 W HN 0.784 nan 8.180 nan 0.000 0.483 226 D N 2.760 122.812 120.400 -0.580 0.000 2.371 226 D HA 0.016 4.656 4.640 0.001 0.000 0.221 226 D C 1.507 177.228 176.300 -0.966 0.000 0.986 226 D CA 0.909 54.541 54.000 -0.613 0.000 0.899 226 D CB -0.091 40.507 40.800 -0.336 0.000 0.902 226 D HN 0.863 nan 8.370 nan 0.000 0.530 227 G N 0.622 108.164 108.800 -2.097 0.000 2.179 227 G HA2 -0.308 3.653 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 44.340 45.100 -2.094 0.000 0.641 227 G HN 0.345 nan 8.290 nan 0.000 0.533 228 Q N -0.336 119.149 119.800 -0.525 0.000 2.548 228 Q HA 0.505 4.846 4.340 0.001 0.000 0.230 228 Q C 1.783 177.849 176.000 0.111 0.000 0.899 228 Q CA 0.864 56.597 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 1.094 nan 8.270 nan 0.000 0.606 229 A N 1.697 124.624 122.820 0.177 0.000 2.555 229 A HA 0.365 4.686 4.320 0.001 0.000 0.233 229 A C 0.186 177.975 177.584 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 1.369 124.277 122.820 0.146 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 -0.166 18.850 19.000 0.026 0.000 1.017 230 A HN 1.193 nan 8.150 nan 0.000 0.496 231 L N 3.593 124.738 121.223 -0.129 0.000 2.287 231 L HA 0.353 4.693 4.340 0.001 0.000 0.280 231 L C -0.367 176.415 176.870 -0.147 0.000 1.055 231 L CA -0.050 54.591 54.840 -0.331 0.000 0.863 231 L CB 0.224 41.921 42.059 -0.603 0.000 1.245 231 L HN 0.768 nan 8.230 nan 0.000 0.432 232 H N 3.127 122.060 119.070 -0.228 0.000 2.541 232 H HA 0.630 5.187 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 1.050 30.732 29.762 -0.133 0.000 1.406 232 H HN 0.333 nan 8.280 nan 0.000 0.469 233 V N 5.165 124.763 119.914 -0.526 0.000 2.472 233 V HA 0.246 4.366 4.120 0.001 0.000 0.290 233 V C -0.373 175.468 176.094 -0.422 0.000 1.037 233 V CA -0.709 61.322 62.300 -0.449 0.000 0.908 233 V CB 1.053 32.654 31.823 -0.369 0.000 0.985 233 V HN 0.822 nan 8.190 nan 0.000 0.454 234 H N 3.575 122.425 119.070 -0.368 0.000 2.840 234 H HA 0.463 5.019 4.556 0.001 0.000 0.340 234 H C -0.831 174.411 175.328 -0.144 0.000 1.004 234 H CA -0.833 55.075 56.048 -0.233 0.000 1.288 234 H CB 1.402 31.090 29.762 -0.123 0.000 1.607 234 H HN 0.614 nan 8.280 nan 0.000 0.522 235 N N 6.637 125.152 118.700 -0.309 0.000 2.699 235 N HA 0.214 4.954 4.740 0.001 0.000 0.232 235 N C -2.165 173.088 175.510 -0.428 0.000 1.027 235 N CA -2.392 50.476 53.050 -0.303 0.000 0.920 235 N CB 1.339 39.764 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 0.179 177.405 177.300 -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 31.798 31.700 -0.309 0.000 0.999 237 T N 1.319 115.809 114.554 -0.106 0.000 2.860 237 T HA 0.076 4.426 4.350 0.001 0.000 0.299 237 T C 1.150 175.842 174.700 -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 -0.018 0.000 0.985 237 T HN -0.020 nan 8.240 nan 0.000 0.537 238 Q N 1.710 121.509 119.800 -0.001 0.000 2.247 238 Q HA 0.248 4.589 4.340 0.001 0.000 0.205 238 Q C 0.119 176.121 176.000 0.004 0.000 0.896 238 Q CA 0.399 56.204 55.803 0.003 0.000 0.950 238 Q CB 0.303 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 -0.303 119.506 119.800 0.015 0.000 2.544 239 Q HA 0.336 4.676 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 1.493 30.244 28.738 0.022 0.000 1.481 239 Q HN 0.154 nan 8.270 nan 0.000 0.430 240 N N -0.053 118.679 118.700 0.053 0.000 2.453 240 N HA 0.420 5.160 4.740 0.001 0.000 0.253 240 N C -1.029 174.672 175.510 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 -0.120 0.000 1.117 240 N HN 0.537 nan 8.380 nan 0.000 0.442 241 A N 1.206 124.216 122.820 0.316 0.000 2.498 241 A HA 0.758 5.079 4.320 0.001 0.000 0.298 241 A C -1.058 176.477 177.584 -0.083 0.000 1.075 241 A CA -0.650 51.473 52.037 0.142 0.000 0.714 241 A CB 1.281 20.324 19.000 0.073 0.000 1.299 241 A HN 0.576 nan 8.150 nan 0.000 0.407 242 M N 1.790 121.210 119.600 -0.300 0.000 2.327 242 M HA 0.514 4.994 4.480 0.001 0.000 0.298 242 M C -1.016 175.194 176.300 -0.150 0.000 1.065 242 M CA -0.828 54.246 55.300 -0.377 0.000 0.916 242 M CB 2.236 34.387 32.600 -0.750 0.000 1.630 242 M HN 0.826 nan 8.290 nan 0.000 0.442 243 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 -1.024 175.083 176.094 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 33.679 31.823 0.061 0.000 1.005 243 V HN 0.971 nan 8.190 nan 0.000 0.428 244 Q N 3.760 123.618 119.800 0.096 0.000 2.274 244 Q HA 0.789 5.129 4.340 0.001 0.000 0.260 244 Q C -1.359 174.726 176.000 0.141 0.000 0.974 244 Q CA -0.828 55.017 55.803 0.070 0.000 0.876 244 Q CB 2.426 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 2.585 123.225 120.570 0.117 0.000 2.411 245 I HA 0.238 4.408 4.170 0.001 0.000 0.284 245 I C -0.639 175.595 176.117 0.196 0.000 1.012 245 I CA -0.619 60.790 61.300 0.181 0.000 1.119 245 I CB 2.005 40.118 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 30.952 28.738 0.151 0.000 1.229 246 Q HN 0.485 nan 8.270 nan 0.000 0.433 247 V N 6.204 126.271 119.914 0.256 0.000 2.322 247 V HA 0.004 4.125 4.120 0.001 0.000 0.258 247 V C 1.087 177.318 176.094 0.228 0.000 1.074 247 V CA 0.060 62.476 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 6.977 127.000 119.914 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 -0.389 31.573 31.823 0.232 0.000 0.670 248 V HN 0.861 nan 8.190 nan 0.000 0.461 249 F N -1.672 118.454 119.950 0.293 0.000 2.793 249 F HA 0.604 5.132 4.527 0.000 0.000 0.316 249 F C -1.279 174.813 175.800 0.487 0.000 1.147 249 F CA -1.635 56.557 58.000 0.320 0.000 0.930 249 F CB 0.254 39.337 39.000 0.139 0.000 1.277 249 F HN 0.186 nan 8.300 nan 0.000 0.443 250 Y N 1.897 122.445 120.300 0.413 0.000 2.609 250 Y HA 0.883 5.434 4.550 0.000 0.000 0.342 250 Y C -1.100 175.030 175.900 0.383 0.000 1.058 250 Y CA -2.392 55.903 58.100 0.324 0.000 1.055 250 Y CB 1.524 40.161 38.460 0.295 0.000 1.292 250 Y HN 0.902 nan 8.280 nan 0.000 0.476 251 I N 1.233 121.997 120.570 0.324 0.000 2.509 251 I HA 0.932 5.102 4.170 0.001 0.000 0.293 251 I C -0.685 175.520 176.117 0.147 0.000 1.020 251 I CA -0.685 60.711 61.300 0.160 0.000 1.088 251 I CB 2.221 40.362 38.000 0.234 0.000 1.267 251 I HN 0.875 nan 8.210 nan 0.000 0.430 252 S N 4.847 120.588 115.700 0.067 0.000 2.794 252 S HA 0.555 5.026 4.470 0.001 0.000 0.299 252 S C -0.074 174.573 174.600 0.078 0.000 1.179 252 S CA -0.988 57.270 58.200 0.098 0.000 0.838 252 S CB 1.985 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 1.367 121.021 119.600 0.090 0.000 2.551 253 M HA 0.272 4.752 4.480 0.001 0.000 0.252 253 M C -0.836 175.565 176.300 0.169 0.000 1.219 253 M CA -0.042 55.342 55.300 0.140 0.000 0.978 253 M CB -0.436 32.255 32.600 0.151 0.000 1.533 253 M HN 0.511 nan 8.290 nan 0.000 0.474 254 D N 1.697 122.161 120.400 0.106 0.000 2.255 254 D HA 0.198 4.838 4.640 0.001 0.000 0.249 254 D C 0.077 176.426 176.300 0.081 0.000 1.078 254 D CA -0.065 53.995 54.000 0.100 0.000 0.896 254 D CB 1.232 42.071 40.800 0.066 0.000 1.194 254 D HN -0.068 nan 8.370 nan 0.000 0.429 255 K N 1.107 121.558 120.400 0.086 0.000 2.326 255 K HA 0.210 4.530 4.320 0.001 0.000 0.275 255 K C 0.631 177.259 176.600 0.047 0.000 1.018 255 K CA -0.171 56.152 56.287 0.060 0.000 0.962 255 K CB 0.903 33.436 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 0.894 175.606 174.700 0.019 0.000 1.003 256 T CA -0.828 61.273 62.100 0.001 0.000 0.995 256 T CB 0.572 69.415 68.868 -0.042 0.000 1.260 256 T HN 0.148 nan 8.240 nan 0.000 0.581 257 L N 0.831 122.059 121.223 0.008 0.000 2.622 257 L HA 0.298 4.639 4.340 0.001 0.000 0.233 257 L C 1.176 178.067 176.870 0.034 0.000 1.156 257 L CA 0.941 55.800 54.840 0.032 0.000 0.866 257 L CB -1.728 40.344 42.059 0.022 0.000 0.980 257 L HN 0.649 nan 8.230 nan 0.000 0.448 258 N N -1.443 117.263 118.700 0.010 0.000 2.279 258 N HA 0.001 4.741 4.740 0.001 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 38.793 38.487 -0.032 0.000 1.050 258 N HN 0.458 nan 8.380 nan 0.000 0.502 259 Q N -0.381 119.445 119.800 0.044 0.000 2.311 259 Q HA -0.093 4.247 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 1.505 121.799 120.300 -0.010 0.000 2.457 260 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 260 Y C -2.710 173.189 175.900 -0.003 0.000 0.994 260 Y CA -3.089 55.007 58.100 -0.008 0.000 1.031 260 Y CB 1.872 40.331 38.460 -0.003 0.000 1.246 260 Y HN -0.092 nan 8.280 nan 0.000 0.449 261 P HA 0.059 nan 4.420 nan 0.000 0.260 261 P C 0.019 177.259 177.300 -0.099 0.000 1.185 261 P CA 1.574 64.469 63.100 -0.341 0.000 0.763 261 P CB 0.537 31.990 31.700 -0.411 0.000 0.776 262 A N 3.001 125.821 122.820 -0.001 0.000 2.799 262 A HA -0.224 4.096 4.320 0.001 0.000 0.287 262 A C 1.385 179.063 177.584 0.155 0.000 1.484 262 A CA 0.820 52.898 52.037 0.069 0.000 0.813 262 A CB -2.348 16.687 19.000 0.057 0.000 1.009 262 A HN 0.638 nan 8.150 nan 0.000 0.545 263 L N -1.074 120.271 121.223 0.203 0.000 2.043 263 L HA -0.235 4.105 4.340 0.001 0.000 0.212 263 L C 2.583 179.547 176.870 0.158 0.000 1.075 263 L CA 2.686 57.657 54.840 0.219 0.000 0.752 263 L CB -0.577 41.600 42.059 0.198 0.000 0.891 263 L HN 0.734 nan 8.230 nan 0.000 0.432 264 T N -0.240 114.389 114.554 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 1.314 63.490 62.100 0.126 0.000 1.148 264 T CB -0.351 68.560 68.868 0.072 0.000 0.863 264 T HN 0.535 nan 8.240 nan 0.000 0.436 265 A N 1.627 124.536 122.820 0.148 0.000 1.972 265 A HA -0.118 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 1.189 53.338 52.037 0.187 0.000 0.635 265 A CB -0.316 18.759 19.000 0.125 0.000 0.810 265 A HN 0.319 nan 8.150 nan 0.000 0.446 266 E N 0.113 120.422 120.200 0.182 0.000 2.047 266 E HA -0.110 4.240 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 0.955 57.443 56.400 0.146 0.000 0.799 266 E CB -0.530 29.238 29.700 0.113 0.000 0.752 266 E HN 0.709 nan 8.360 nan 0.000 0.449 267 I N 0.745 121.435 120.570 0.201 0.000 2.163 267 I HA -0.290 3.880 4.170 0.001 0.000 0.243 267 I C 2.371 178.703 176.117 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 1.761 121.827 119.950 0.192 0.000 2.126 268 F HA -0.291 4.236 4.527 0.001 0.000 0.299 268 F C 2.290 178.196 175.800 0.176 0.000 1.096 268 F CA 2.081 60.191 58.000 0.182 0.000 1.255 268 F CB -0.716 38.350 39.000 0.110 0.000 0.997 268 F HN 0.116 nan 8.300 nan 0.000 0.479 269 N N 0.090 118.795 118.700 0.008 0.000 2.069 269 N HA -0.183 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 1.806 54.788 53.050 -0.113 0.000 0.852 269 N CB -0.145 38.348 38.487 0.009 0.000 1.018 269 N HN 0.263 nan 8.380 nan 0.000 0.423 270 V N 0.333 120.245 119.914 -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 63.849 62.300 -0.003 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 0.018 120.389 120.300 0.119 0.000 2.490 271 Y HA 0.190 4.741 4.550 0.001 0.000 0.281 271 Y C 1.639 177.658 175.900 0.200 0.000 1.174 271 Y CA -0.262 57.942 58.100 0.174 0.000 1.295 271 Y CB -0.324 38.233 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 -0.043 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 -0.550 57.686 58.200 0.059 0.000 1.031 272 S CB 0.416 63.471 63.200 -0.240 0.000 0.892 272 S HN 0.362 nan 8.310 nan 0.000 0.529 273 F N 2.486 122.568 119.950 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 1.785 59.910 58.000 0.208 0.000 1.205 273 F CB -0.152 38.913 39.000 0.107 0.000 0.986 273 F HN 0.745 nan 8.300 nan 0.000 0.470 274 R N -0.325 120.121 120.500 -0.090 0.000 1.195 274 R HA -0.309 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 2.018 57.980 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 -3.132 116.742 120.400 -0.876 0.000 2.738 275 D HA 0.208 4.848 4.640 0.001 0.000 0.308 275 D C 0.044 175.725 176.300 -1.033 0.000 1.311 275 D CA -0.422 53.017 54.000 -0.936 0.000 0.799 275 D CB -0.132 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 4.571 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 2.334 58.313 56.048 -0.115 0.000 1.330 276 H CB -0.063 29.723 29.762 0.039 0.000 1.388 276 H HN 0.409 nan 8.280 nan 0.000 0.526 277 T N 0.249 114.755 114.554 -0.079 0.000 2.770 277 T HA -0.186 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 63.049 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 1.657 122.654 121.300 -0.506 0.000 2.358 278 W HA -0.226 4.435 4.660 0.000 0.000 0.303 278 W C 2.249 178.539 176.519 -0.381 0.000 1.208 278 W CA 1.636 58.585 57.345 -0.659 0.000 1.274 278 W CB -0.580 28.327 29.460 -0.920 0.000 1.138 278 W HN 0.400 nan 8.180 nan 0.000 0.515 279 H N -0.084 118.659 119.070 -0.545 0.000 2.319 279 H HA -0.104 4.453 4.556 0.001 0.000 0.299 279 H C 2.468 177.550 175.328 -0.409 0.000 1.092 279 H CA 3.042 58.813 56.048 -0.463 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 0.680 109.266 108.800 -0.356 0.000 2.421 280 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 280 G HA3 -0.215 3.745 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 45.587 45.100 -0.302 0.000 0.775 280 G HN 0.434 nan 8.290 nan 0.000 0.543 281 L N 0.137 121.125 121.223 -0.391 0.000 2.017 281 L HA -0.039 4.301 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 -0.386 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 -0.501 119.448 120.500 -0.918 0.000 2.083 282 R HA -0.183 4.158 4.340 0.001 0.000 0.237 282 R C 2.004 178.000 176.300 -0.506 0.000 1.137 282 R CA 2.331 57.903 56.100 -0.879 0.000 0.951 282 R CB -0.593 29.003 30.300 -1.174 0.000 0.851 282 R HN 0.358 nan 8.270 nan 0.000 0.434 283 T N 1.095 115.353 114.554 -0.494 0.000 2.665 283 T HA -0.173 4.177 4.350 0.001 0.000 0.268 283 T C 1.886 176.458 174.700 -0.214 0.000 1.035 283 T CA 1.793 63.697 62.100 -0.326 0.000 1.151 283 T CB -0.426 68.218 68.868 -0.372 0.000 0.862 283 T HN 0.492 nan 8.240 nan 0.000 0.438 284 A N 0.919 123.614 122.820 -0.208 0.000 1.908 284 A HA -0.047 4.273 4.320 0.001 0.000 0.218 284 A C 2.309 179.831 177.584 -0.103 0.000 1.181 284 A CA 1.361 53.326 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 -0.557 119.927 120.570 -0.143 0.000 2.252 285 I HA -0.214 3.956 4.170 0.001 0.000 0.245 285 I C 2.223 178.286 176.117 -0.091 0.000 1.102 285 I CA 0.990 62.225 61.300 -0.108 0.000 1.385 285 I CB -0.298 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 1.928 178.780 176.870 -0.029 0.000 1.119 286 L CA 0.720 55.521 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 0.403 119.079 118.700 -0.041 0.000 2.443 287 N HA -0.146 4.594 4.740 0.001 0.000 0.184 287 N C 1.459 176.962 175.510 -0.011 0.000 1.037 287 N CA 0.877 53.914 53.050 -0.021 0.000 0.896 287 N CB -0.109 38.361 38.487 -0.028 0.000 0.959 287 N HN 0.161 nan 8.380 nan 0.000 0.442 288 R N -0.160 120.331 120.500 -0.016 0.000 2.388 288 R HA 0.147 4.487 4.340 0.001 0.000 0.247 288 R C 0.342 176.640 176.300 -0.004 0.000 0.931 288 R CA 0.022 56.117 56.100 -0.009 0.000 1.082 288 R CB 0.062 30.355 30.300 -0.012 0.000 1.135 288 R HN 0.265 nan 8.270 nan 0.000 0.525 289 T N -5.354 109.200 114.554 0.001 0.000 2.742 289 T HA 0.234 4.584 4.350 0.001 0.000 0.282 289 T C 0.919 175.632 174.700 0.023 0.000 1.025 289 T CA -0.341 61.765 62.100 0.010 0.000 1.020 289 T CB 1.543 70.416 68.868 0.008 0.000 1.317 289 T HN 0.029 nan 8.240 nan 0.000 0.538 290 T N -0.654 113.919 114.554 0.031 0.000 3.144 290 T HA 0.321 4.671 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 -0.375 61.751 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 3.145 124.410 121.223 0.069 0.000 2.357 291 L HA 0.526 4.866 4.340 0.001 0.000 0.273 291 L C -2.073 174.869 176.870 0.120 0.000 1.080 291 L CA -2.720 52.185 54.840 0.108 0.000 0.803 291 L CB 0.746 42.881 42.059 0.127 0.000 1.174 291 L HN 0.014 nan 8.230 nan 0.000 0.443 292 P HA 0.086 nan 4.420 nan 0.000 0.269 292 P C -0.109 177.318 177.300 0.212 0.000 1.209 292 P CA -0.167 63.004 63.100 0.118 0.000 0.776 292 P CB 0.462 32.191 31.700 0.047 0.000 0.876 293 N N 2.932 121.719 118.700 0.145 0.000 2.446 293 N HA -0.094 4.646 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 37.989 38.487 0.014 0.000 0.973 293 N HN 0.523 nan 8.380 nan 0.000 0.448 294 M N -2.485 117.271 119.600 0.259 0.000 2.215 294 M HA 0.421 4.901 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 2.190 123.395 121.223 -0.030 0.000 2.408 295 L HA 0.695 5.035 4.340 0.001 0.000 0.268 295 L C -2.569 173.864 176.870 -0.727 0.000 0.986 295 L CA -1.964 52.712 54.840 -0.273 0.000 0.820 295 L CB 2.313 44.320 42.059 -0.087 0.000 1.303 295 L HN -0.188 nan 8.230 nan 0.000 0.411 296 P HA 0.044 nan 4.420 nan 0.000 0.266 296 P C -2.404 174.727 177.300 -0.282 0.000 1.193 296 P CA -0.633 62.071 63.100 -0.660 0.000 0.770 296 P CB -0.359 31.186 31.700 -0.259 0.000 0.836 297 P HA 0.093 nan 4.420 nan 0.000 0.270 297 P C 0.648 177.907 177.300 -0.068 0.000 1.223 297 P CA 0.173 63.251 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 -0.499 120.002 120.570 -0.115 0.000 2.400 298 I HA -0.058 4.113 4.170 0.001 0.000 0.248 298 I C 0.784 176.643 176.117 -0.430 0.000 1.109 298 I CA 1.068 62.174 61.300 -0.323 0.000 1.425 298 I CB -0.230 37.469 38.000 -0.502 0.000 1.094 298 I HN 0.140 nan 8.210 nan 0.000 0.425 299 F N 1.903 121.909 119.950 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 -3.140 54.918 58.000 0.097 0.000 1.003 299 F CB 0.053 39.108 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 -0.897 62.288 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 0.125 nan 4.420 nan 0.000 0.272 301 P C 0.537 177.876 177.300 0.066 0.000 1.240 301 P CA -0.068 63.085 63.100 0.089 0.000 0.791 301 P CB 0.395 32.138 31.700 0.073 0.000 0.978 302 N N -0.457 118.274 118.700 0.050 0.000 2.116 302 N HA 0.024 4.764 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 39.093 38.487 0.053 0.000 1.174 302 N HN 0.370 nan 8.380 nan 0.000 0.506 303 D N 0.495 120.895 120.400 -0.001 0.000 2.299 303 D HA 0.173 4.813 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 -0.664 53.325 54.000 -0.020 0.000 0.924 303 D CB 2.753 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 0.862 177.133 176.300 -0.048 0.000 1.139 304 R CA 2.011 58.079 56.100 -0.053 0.000 0.952 304 R CB -0.169 30.098 30.300 -0.055 0.000 0.854 304 R HN 0.451 nan 8.270 nan 0.000 0.436 305 D N -0.166 120.214 120.400 -0.033 0.000 2.104 305 D HA -0.128 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 1.802 55.785 54.000 -0.028 0.000 0.830 305 D CB -0.371 40.420 40.800 -0.015 0.000 0.959 305 D HN 0.210 nan 8.370 nan 0.000 0.452 306 S N 0.464 116.156 115.700 -0.014 0.000 2.356 306 S HA -0.103 4.367 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 0.510 58.709 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 1.675 122.220 120.570 -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 62.416 61.300 -0.091 0.000 1.347 307 I CB -1.388 36.545 38.000 -0.112 0.000 1.044 307 I HN 0.283 nan 8.210 nan 0.000 0.408 308 L N 0.520 121.676 121.223 -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 2.038 56.811 54.840 -0.111 0.000 0.749 308 L CB -0.587 41.424 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 2.759 309 T HA -0.228 4.122 4.350 0.001 0.000 0.269 309 T C 1.931 176.605 174.700 -0.044 0.000 1.042 309 T CA 1.375 63.449 62.100 -0.043 0.000 1.140 309 T CB -0.271 68.579 68.868 -0.030 0.000 0.864 309 T HN 0.229 nan 8.240 nan 0.000 0.455 310 L N 0.196 121.391 121.223 -0.047 0.000 2.027 310 L HA -0.030 4.310 4.340 0.001 0.000 0.206 310 L C 2.540 179.382 176.870 -0.047 0.000 1.074 310 L CA 1.138 55.956 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 4.083 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 0.908 55.687 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 -0.442 120.753 121.223 -0.047 0.000 2.046 312 L HA -0.216 4.124 4.340 0.001 0.000 0.208 312 L C 2.379 179.257 176.870 0.013 0.000 1.077 312 L CA 1.656 56.482 54.840 -0.022 0.000 0.747 312 L CB -0.794 41.247 42.059 -0.030 0.000 0.896 312 L HN 0.181 nan 8.230 nan 0.000 0.432 313 L N -1.760 119.475 121.223 0.021 0.000 2.093 313 L HA -0.216 4.124 4.340 0.001 0.000 0.208 313 L C 2.650 179.593 176.870 0.122 0.000 1.085 313 L CA 1.271 56.164 54.840 0.088 0.000 0.755 313 L CB -0.217 41.867 42.059 0.042 0.000 0.904 313 L HN 0.321 nan 8.230 nan 0.000 0.435 314 S N -0.986 114.744 115.700 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 60.283 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 2.601 117.165 114.554 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 -0.553 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 1.322 122.584 121.223 0.065 0.000 2.127 316 L HA 0.008 4.348 4.340 0.001 0.000 0.211 316 L C 2.524 179.467 176.870 0.121 0.000 1.089 316 L CA 1.641 56.565 54.840 0.141 0.000 0.757 316 L CB -0.815 41.367 42.059 0.206 0.000 0.899 316 L HN 0.236 nan 8.230 nan 0.000 0.434 317 A N -1.014 121.742 122.820 -0.107 0.000 1.930 317 A HA -0.185 4.135 4.320 0.001 0.000 0.217 317 A C 1.985 179.383 177.584 -0.311 0.000 1.175 317 A CA 1.718 53.375 52.037 -0.633 0.000 0.627 317 A CB -0.660 17.900 19.000 -0.735 0.000 0.815 317 A HN 0.505 nan 8.150 nan 0.000 0.443 318 D N -0.177 120.141 120.400 -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 -0.019 0.000 0.982 318 D CA 1.379 55.334 54.000 -0.074 0.000 0.828 318 D CB -0.430 40.349 40.800 -0.036 0.000 0.967 318 D HN 0.210 nan 8.370 nan 0.000 0.464 319 V N 0.731 120.673 119.914 0.046 0.000 2.343 319 V HA -0.280 3.840 4.120 0.001 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 31.244 31.823 0.165 0.000 0.654 319 V HN 0.184 nan 8.190 nan 0.000 0.451 320 Y N 1.223 121.547 120.300 0.040 0.000 2.128 320 Y HA -0.308 4.242 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 2.433 60.429 58.100 -0.173 0.000 1.149 320 Y CB -0.527 37.754 38.460 -0.298 0.000 0.976 320 Y HN 0.198 nan 8.280 nan 0.000 0.505 321 T N -0.432 114.099 114.554 -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 1.912 63.955 62.100 -0.096 0.000 1.142 321 T CB -0.753 68.062 68.868 -0.089 0.000 0.866 321 T HN 0.437 nan 8.240 nan 0.000 0.444 322 V N 0.158 120.015 119.914 -0.095 0.000 2.446 322 V HA 0.110 4.231 4.120 0.001 0.000 0.244 322 V C 2.125 178.151 176.094 -0.114 0.000 1.039 322 V CA 1.258 63.507 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 0.469 nan 8.190 nan 0.000 0.459 323 L N 0.149 121.294 121.223 -0.131 0.000 2.291 323 L HA 0.149 4.490 4.340 0.001 0.000 0.214 323 L C 1.366 178.079 176.870 -0.262 0.000 1.120 323 L CA 0.735 55.482 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 -1.253 119.003 120.500 -0.407 0.000 3.251 324 R HA -0.144 4.196 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 55.809 56.100 -0.477 0.000 0.645 324 R CB -2.255 27.884 30.300 -0.269 0.000 1.065 324 R HN 0.325 nan 8.270 nan 0.000 0.452 325 P HA 0.147 nan 4.420 nan 0.000 0.272 325 P C -0.449 176.750 177.300 -0.167 0.000 1.240 325 P CA 0.122 63.014 63.100 -0.347 0.000 0.791 325 P CB 0.777 32.220 31.700 -0.429 0.000 0.978 326 E N 0.774 121.010 120.200 0.059 0.000 2.283 326 E HA 0.460 4.810 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 0.974 30.683 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 0.840 5.367 4.527 0.001 0.000 0.316 327 F C -1.299 174.572 175.800 0.118 0.000 1.155 327 F CA -1.477 56.619 58.000 0.160 0.000 0.937 327 F CB 0.684 39.894 39.000 0.350 0.000 1.361 327 F HN 0.287 nan 8.300 nan 0.000 0.472 328 A N 1.454 124.398 122.820 0.207 0.000 2.312 328 A HA 0.828 5.148 4.320 0.001 0.000 0.326 328 A C -0.978 176.624 177.584 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 2.292 122.826 120.570 -0.060 0.000 2.465 329 I HA 0.235 4.406 4.170 0.001 0.000 0.291 329 I C -0.473 175.620 176.117 -0.041 0.000 1.014 329 I CA -0.862 60.398 61.300 -0.067 0.000 1.093 329 I CB 1.573 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 4.550 123.642 119.070 0.037 0.000 3.070 330 H HA 0.060 4.616 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 0.464 30.237 29.762 0.018 0.000 1.455 330 H HN 0.959 nan 8.280 nan 0.000 0.575 331 G N 2.538 111.423 108.800 0.141 0.000 2.176 331 G HA2 -0.263 3.697 3.960 0.001 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 1.391 121.325 119.914 0.034 0.000 2.427 332 V HA 0.539 4.660 4.120 0.001 0.000 0.286 332 V C 0.067 176.154 176.094 -0.011 0.000 1.034 332 V CA -0.821 61.488 62.300 0.015 0.000 0.893 332 V CB 1.766 33.590 31.823 0.001 0.000 0.982 332 V HN 0.319 nan 8.190 nan 0.000 0.452 333 N N 4.734 123.404 118.700 -0.049 0.000 2.623 333 N HA 0.398 5.138 4.740 0.001 0.000 0.256 333 N C -2.665 172.720 175.510 -0.209 0.000 1.045 333 N CA -1.081 51.915 53.050 -0.089 0.000 0.863 333 N CB 2.168 40.615 38.487 -0.066 0.000 1.182 333 N HN 0.453 nan 8.380 nan 0.000 0.523 334 P HA 0.079 nan 4.420 nan 0.000 0.265 334 P C -0.530 176.677 177.300 -0.155 0.000 1.187 334 P CA 0.475 63.472 63.100 -0.172 0.000 0.766 334 P CB 0.683 32.360 31.700 -0.038 0.000 0.820 335 M N 4.558 124.085 119.600 -0.121 0.000 2.085 335 M HA 0.222 4.702 4.480 0.001 0.000 0.309 335 M C -1.493 174.857 176.300 0.084 0.000 0.947 335 M CA -1.775 53.519 55.300 -0.009 0.000 0.918 335 M CB 2.086 34.701 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 0.814 178.155 177.300 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 -0.872 107.976 108.800 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 -1.645 173.290 174.900 0.058 0.000 1.247 337 G CA 0.053 45.205 45.100 0.086 0.000 0.958 337 G HN 0.292 nan 8.290 nan 0.000 0.559 338 P HA 0.401 nan 4.420 nan 0.000 0.261 338 P C -0.048 177.298 177.300 0.076 0.000 1.297 338 P CA 0.529 63.663 63.100 0.056 0.000 0.757 338 P CB -0.264 31.460 31.700 0.039 0.000 1.149 339 L N -0.594 120.688 121.223 0.098 0.000 1.714 339 L HA -0.113 4.227 4.340 0.001 0.000 0.484 339 L C 0.229 177.153 176.870 0.090 0.000 1.002 339 L CA 0.551 55.468 54.840 0.128 0.000 1.207 339 L CB -2.079 40.081 42.059 0.168 0.000 1.513 339 L HN 0.479 nan 8.230 nan 0.000 0.810 340 T N 0.059 114.653 114.554 0.067 0.000 2.864 340 T HA 0.660 5.011 4.350 0.001 0.000 0.289 340 T C 0.918 175.616 174.700 -0.003 0.000 1.082 340 T CA -0.292 61.828 62.100 0.033 0.000 1.009 340 T CB 2.129 71.009 68.868 0.020 0.000 1.234 340 T HN 0.694 nan 8.240 nan 0.000 0.526 341 R N -0.007 120.487 120.500 -0.010 0.000 2.096 341 R HA -0.009 4.331 4.340 0.001 0.000 0.235 341 R C 2.387 178.640 176.300 -0.079 0.000 1.127 341 R CA 1.614 57.690 56.100 -0.040 0.000 0.968 341 R CB -0.952 29.335 30.300 -0.021 0.000 0.861 341 R HN 0.772 nan 8.270 nan 0.000 0.440 342 A N 1.074 123.861 122.820 -0.053 0.000 1.902 342 A HA -0.142 4.178 4.320 0.001 0.000 0.217 342 A C 2.131 179.665 177.584 -0.083 0.000 1.181 342 A CA 1.443 53.447 52.037 -0.055 0.000 0.623 342 A CB -0.469 18.515 19.000 -0.027 0.000 0.818 342 A HN 0.364 nan 8.150 nan 0.000 0.443 343 I N -0.408 120.113 120.570 -0.081 0.000 2.252 343 I HA -0.247 3.923 4.170 0.001 0.000 0.245 343 I C 2.977 178.886 176.117 -0.346 0.000 1.102 343 I CA 0.925 62.167 61.300 -0.097 0.000 1.385 343 I CB -0.377 37.630 38.000 0.012 0.000 1.064 343 I HN 0.366 nan 8.210 nan 0.000 0.414 344 A N 1.227 123.735 122.820 -0.520 0.000 1.858 344 A HA -0.276 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 2.147 53.528 52.037 -1.093 0.000 0.617 344 A CB -0.704 17.940 19.000 -0.593 0.000 0.827 344 A HN 0.383 nan 8.150 nan 0.000 0.443 345 R N 0.001 120.340 120.500 -0.268 0.000 2.091 345 R HA -0.099 4.241 4.340 0.001 0.000 0.238 345 R C 2.047 178.323 176.300 -0.040 0.000 1.136 345 R CA 1.899 57.920 56.100 -0.131 0.000 0.959 345 R CB -0.577 29.654 30.300 -0.115 0.000 0.856 345 R HN 0.385 nan 8.270 nan 0.000 0.437 346 A N 0.204 122.972 122.820 -0.087 0.000 2.067 346 A HA 0.037 4.358 4.320 0.001 0.000 0.219 346 A C 2.242 179.814 177.584 -0.019 0.000 1.158 346 A CA 1.335 53.352 52.037 -0.033 0.000 0.661 346 A CB -0.638 18.345 19.000 -0.027 0.000 0.801 346 A HN 0.551 nan 8.150 nan 0.000 0.452 347 A N -1.828 120.916 122.820 -0.126 0.000 2.167 347 A HA 0.119 4.440 4.320 0.001 0.000 0.214 347 A C 1.008 178.507 177.584 -0.142 0.000 1.151 347 A CA 0.392 52.326 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 0.506 nan 8.150 nan 0.000 0.467 348 Y N 0.046 120.298 120.300 -0.080 0.000 2.873 348 Y HA 0.388 4.938 4.550 0.001 0.000 0.375 348 Y C 0.700 176.634 175.900 0.058 0.000 1.070 348 Y CA 0.028 58.159 58.100 0.051 0.000 1.644 348 Y CB -0.935 37.528 38.460 0.004 0.000 1.495 348 Y HN 0.031 nan 8.280 nan 0.000 0.494 349 V N 0.000 119.997 119.914 0.138 0.000 2.409 349 V HA 0.000 4.120 4.120 0.001 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