REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2btv_1_T DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 D N 0.365 120.708 120.400 -0.094 0.000 2.084 2 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 2 D C 1.698 177.871 176.300 -0.212 0.000 0.990 2 D CA 2.648 56.571 54.000 -0.130 0.000 0.826 2 D CB -0.595 40.134 40.800 -0.120 0.000 0.971 2 D HN 0.664 nan 8.370 nan 0.000 0.453 3 T N 0.058 114.471 114.554 -0.235 0.000 2.665 3 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 3 T C 2.314 176.866 174.700 -0.248 0.000 1.035 3 T CA 1.065 62.950 62.100 -0.358 0.000 1.151 3 T CB -0.792 67.979 68.868 -0.162 0.000 0.862 3 T HN 0.150 nan 8.240 nan 0.000 0.438 4 I N 2.248 122.746 120.570 -0.119 0.000 2.127 4 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 4 I C 3.268 179.345 176.117 -0.067 0.000 1.075 4 I CA 1.514 62.778 61.300 -0.059 0.000 1.334 4 I CB -0.774 37.204 38.000 -0.035 0.000 1.040 4 I HN 0.364 nan 8.210 nan 0.000 0.405 5 A N 0.673 123.441 122.820 -0.088 0.000 1.908 5 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 5 A C 2.551 180.081 177.584 -0.090 0.000 1.181 5 A CA 2.055 54.046 52.037 -0.077 0.000 0.627 5 A CB -0.991 17.960 19.000 -0.081 0.000 0.818 5 A HN 0.467 nan 8.150 nan 0.000 0.445 6 A N -0.181 122.538 122.820 -0.169 0.000 1.883 6 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 6 A C 2.269 179.817 177.584 -0.059 0.000 1.186 6 A CA 1.748 53.670 52.037 -0.192 0.000 0.624 6 A CB -0.519 18.166 19.000 -0.526 0.000 0.822 6 A HN 0.583 nan 8.150 nan 0.000 0.444 7 R N -0.711 119.767 120.500 -0.037 0.000 2.070 7 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 7 R C 2.561 178.892 176.300 0.052 0.000 1.138 7 R CA 1.303 57.459 56.100 0.094 0.000 0.936 7 R CB -0.629 29.738 30.300 0.113 0.000 0.839 7 R HN 0.503 nan 8.270 nan 0.000 0.429 8 A N 1.374 124.205 122.820 0.018 0.000 1.948 8 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 8 A C 2.111 179.695 177.584 0.000 0.000 1.177 8 A CA 1.357 53.399 52.037 0.009 0.000 0.636 8 A CB -0.527 18.473 19.000 -0.000 0.000 0.815 8 A HN 0.255 nan 8.150 nan 0.000 0.449 9 L N -0.349 120.874 121.223 0.000 0.000 1.988 9 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 9 L C 2.568 179.450 176.870 0.018 0.000 1.071 9 L CA 2.888 57.730 54.840 0.004 0.000 0.744 9 L CB -1.176 40.885 42.059 0.003 0.000 0.893 9 L HN 0.400 nan 8.230 nan 0.000 0.433 10 T N -0.740 113.840 114.554 0.044 0.000 2.653 10 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 10 T C 1.936 176.653 174.700 0.029 0.000 1.035 10 T CA 2.032 64.166 62.100 0.057 0.000 1.154 10 T CB -0.767 68.166 68.868 0.108 0.000 0.862 10 T HN 0.235 nan 8.240 nan 0.000 0.441 11 V N 1.609 121.535 119.914 0.020 0.000 2.255 11 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 11 V C 2.560 178.638 176.094 -0.027 0.000 1.051 11 V CA 2.011 64.306 62.300 -0.008 0.000 1.018 11 V CB -0.719 31.093 31.823 -0.018 0.000 0.641 11 V HN 0.483 nan 8.190 nan 0.000 0.445 12 M N -0.626 118.956 119.600 -0.030 0.000 2.080 12 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 12 M C 2.478 178.765 176.300 -0.022 0.000 1.068 12 M CA 1.958 57.234 55.300 -0.039 0.000 1.109 12 M CB -0.625 31.953 32.600 -0.038 0.000 1.342 12 M HN 0.246 nan 8.290 nan 0.000 0.405 13 R N 0.228 120.723 120.500 -0.008 0.000 2.091 13 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 13 R C 2.358 178.654 176.300 -0.006 0.000 1.136 13 R CA 1.557 57.657 56.100 -0.001 0.000 0.959 13 R CB -0.673 29.634 30.300 0.012 0.000 0.856 13 R HN 0.413 nan 8.270 nan 0.000 0.437 14 A N 0.882 123.697 122.820 -0.008 0.000 1.902 14 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 14 A C 2.425 179.995 177.584 -0.022 0.000 1.181 14 A CA 1.463 53.493 52.037 -0.013 0.000 0.623 14 A CB -0.764 18.228 19.000 -0.013 0.000 0.818 14 A HN 0.470 nan 8.150 nan 0.000 0.443 15 C N -0.701 118.581 119.300 -0.030 0.000 2.419 15 C HA 0.109 4.569 4.460 -0.000 0.000 0.281 15 C C 3.130 178.104 174.990 -0.027 0.000 1.336 15 C CA 0.467 59.464 59.018 -0.036 0.000 1.770 15 C CB -1.480 26.231 27.740 -0.048 0.000 1.929 15 C HN 0.688 nan 8.230 nan 0.000 0.509 16 A N 0.704 123.512 122.820 -0.020 0.000 2.121 16 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 16 A C 2.081 179.653 177.584 -0.020 0.000 1.154 16 A CA 1.990 54.017 52.037 -0.018 0.000 0.679 16 A CB -0.737 18.255 19.000 -0.013 0.000 0.795 16 A HN 0.597 nan 8.150 nan 0.000 0.458 17 T N 0.009 114.551 114.554 -0.019 0.000 3.055 17 T HA 0.062 4.412 4.350 -0.000 0.000 0.265 17 T C 0.383 175.069 174.700 -0.022 0.000 1.111 17 T CA 0.357 62.446 62.100 -0.018 0.000 1.118 17 T CB -0.234 68.625 68.868 -0.015 0.000 0.909 17 T HN 0.169 nan 8.240 nan 0.000 0.501 18 L N 2.500 123.707 121.223 -0.027 0.000 2.533 18 L HA 0.303 4.643 4.340 -0.000 0.000 0.239 18 L C 1.627 178.477 176.870 -0.035 0.000 1.376 18 L CA 0.238 55.060 54.840 -0.031 0.000 1.240 18 L CB -0.662 41.376 42.059 -0.035 0.000 1.487 18 L HN 0.058 nan 8.230 nan 0.000 0.419 19 Q N 0.170 119.951 119.800 -0.031 0.000 2.079 19 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 19 Q C 0.997 176.977 176.000 -0.034 0.000 0.974 19 Q CA 1.466 57.249 55.803 -0.033 0.000 0.840 19 Q CB 0.419 29.141 28.738 -0.026 0.000 0.898 19 Q HN 0.669 nan 8.270 nan 0.000 0.430 20 E N -3.075 117.108 120.200 -0.029 0.000 2.447 20 E HA 0.551 4.901 4.350 -0.000 0.000 0.251 20 E C -0.291 176.292 176.600 -0.027 0.000 0.910 20 E CA 0.096 56.479 56.400 -0.028 0.000 0.841 20 E CB 1.175 30.861 29.700 -0.022 0.000 1.403 20 E HN 0.082 nan 8.360 nan 0.000 0.400 21 A N 0.441 123.246 122.820 -0.025 0.000 1.941 21 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 21 A C 1.590 179.162 177.584 -0.020 0.000 1.368 21 A CA 0.524 52.547 52.037 -0.023 0.000 0.651 21 A CB -0.459 18.527 19.000 -0.023 0.000 1.064 21 A HN 0.555 nan 8.150 nan 0.000 0.492 22 R N 0.596 121.086 120.500 -0.017 0.000 2.328 22 R HA 0.173 4.513 4.340 -0.000 0.000 0.206 22 R C -0.078 176.213 176.300 -0.014 0.000 0.990 22 R CA 0.139 56.230 56.100 -0.015 0.000 1.085 22 R CB -1.158 29.134 30.300 -0.013 0.000 0.998 22 R HN 0.551 nan 8.270 nan 0.000 0.484 23 I N -1.103 119.458 120.570 -0.015 0.000 2.696 23 I HA 0.103 4.273 4.170 -0.000 0.000 0.284 23 I C 0.577 176.686 176.117 -0.013 0.000 1.129 23 I CA -1.824 59.468 61.300 -0.014 0.000 1.410 23 I CB 0.426 38.417 38.000 -0.015 0.000 1.399 23 I HN -0.109 nan 8.210 nan 0.000 0.579 24 V N 4.730 124.637 119.914 -0.012 0.000 2.583 24 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 24 V C 0.089 176.176 176.094 -0.012 0.000 1.051 24 V CA -0.581 61.712 62.300 -0.011 0.000 1.010 24 V CB 0.796 32.613 31.823 -0.010 0.000 0.988 24 V HN 0.640 nan 8.190 nan 0.000 0.478 25 L N 3.174 124.389 121.223 -0.012 0.000 2.399 25 L HA 0.505 4.845 4.340 -0.000 0.000 0.265 25 L C 0.613 177.476 176.870 -0.011 0.000 1.089 25 L CA -0.078 54.755 54.840 -0.013 0.000 0.802 25 L CB 1.224 43.274 42.059 -0.014 0.000 1.180 25 L HN 0.977 nan 8.230 nan 0.000 0.454 26 E N 0.670 120.863 120.200 -0.011 0.000 2.324 26 E HA 0.136 4.486 4.350 -0.000 0.000 0.271 26 E C 0.872 177.466 176.600 -0.011 0.000 1.028 26 E CA 0.112 56.506 56.400 -0.010 0.000 0.890 26 E CB 1.237 30.932 29.700 -0.009 0.000 1.004 26 E HN 0.685 nan 8.360 nan 0.000 0.431 27 A N 5.736 128.549 122.820 -0.011 0.000 1.909 27 A HA -0.353 3.967 4.320 -0.000 0.000 0.221 27 A C 2.020 179.596 177.584 -0.014 0.000 1.223 27 A CA 2.242 54.272 52.037 -0.012 0.000 0.658 27 A CB -0.902 18.090 19.000 -0.012 0.000 0.831 27 A HN 0.973 nan 8.150 nan 0.000 0.462 28 N N -0.183 118.509 118.700 -0.014 0.000 2.060 28 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 28 N C 1.750 177.251 175.510 -0.015 0.000 1.028 28 N CA 2.253 55.293 53.050 -0.016 0.000 0.861 28 N CB -0.259 38.220 38.487 -0.014 0.000 1.029 28 N HN 0.303 nan 8.380 nan 0.000 0.428 29 V N 2.077 121.984 119.914 -0.012 0.000 2.214 29 V HA -0.306 3.814 4.120 -0.000 0.000 0.245 29 V C 2.604 178.689 176.094 -0.014 0.000 1.047 29 V CA 2.240 64.532 62.300 -0.012 0.000 0.998 29 V CB -0.671 31.145 31.823 -0.013 0.000 0.633 29 V HN 0.346 nan 8.190 nan 0.000 0.446 30 M N -0.305 119.286 119.600 -0.014 0.000 2.113 30 M HA -0.330 4.150 4.480 -0.000 0.000 0.255 30 M C 2.244 178.535 176.300 -0.014 0.000 1.073 30 M CA 2.583 57.875 55.300 -0.014 0.000 1.091 30 M CB -0.828 31.764 32.600 -0.013 0.000 1.309 30 M HN 0.466 nan 8.290 nan 0.000 0.407 31 E N 1.047 121.238 120.200 -0.015 0.000 2.049 31 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 31 E C 1.805 178.396 176.600 -0.014 0.000 1.007 31 E CA 1.892 58.282 56.400 -0.016 0.000 0.809 31 E CB -0.133 29.555 29.700 -0.020 0.000 0.749 31 E HN 0.528 nan 8.360 nan 0.000 0.450 32 I N 0.745 121.307 120.570 -0.015 0.000 2.090 32 I HA -0.311 3.859 4.170 -0.000 0.000 0.236 32 I C 2.633 178.746 176.117 -0.006 0.000 1.064 32 I CA 0.953 62.248 61.300 -0.010 0.000 1.324 32 I CB -0.429 37.567 38.000 -0.006 0.000 1.044 32 I HN 0.204 nan 8.210 nan 0.000 0.399 33 L N 0.720 121.936 121.223 -0.011 0.000 2.034 33 L HA -0.267 4.073 4.340 -0.000 0.000 0.217 33 L C 2.666 179.529 176.870 -0.012 0.000 1.077 33 L CA 1.868 56.698 54.840 -0.017 0.000 0.769 33 L CB -1.443 40.601 42.059 -0.024 0.000 0.890 33 L HN 0.450 nan 8.230 nan 0.000 0.435 34 G N 0.480 109.275 108.800 -0.008 0.000 2.587 34 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 34 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 34 G C 1.469 176.372 174.900 0.005 0.000 1.240 34 G CA 1.232 46.331 45.100 -0.003 0.000 0.794 34 G HN 0.345 nan 8.290 nan 0.000 0.580 35 I N 1.646 122.219 120.570 0.005 0.000 2.151 35 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 35 I C 3.320 179.453 176.117 0.027 0.000 1.080 35 I CA 1.196 62.504 61.300 0.013 0.000 1.339 35 I CB -0.522 37.483 38.000 0.008 0.000 1.039 35 I HN 0.290 nan 8.210 nan 0.000 0.409 36 A N 1.634 124.469 122.820 0.025 0.000 1.829 36 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 36 A C 2.310 179.930 177.584 0.061 0.000 1.207 36 A CA 1.920 53.981 52.037 0.040 0.000 0.622 36 A CB -1.114 17.896 19.000 0.017 0.000 0.846 36 A HN 0.359 nan 8.150 nan 0.000 0.447 37 I N -0.094 120.489 120.570 0.023 0.000 2.113 37 I HA -0.383 3.787 4.170 -0.000 0.000 0.242 37 I C 2.505 178.677 176.117 0.093 0.000 1.057 37 I CA 2.215 63.533 61.300 0.029 0.000 1.314 37 I CB -0.688 37.305 38.000 -0.012 0.000 1.022 37 I HN 0.602 nan 8.210 nan 0.000 0.408 38 N N 0.870 119.605 118.700 0.058 0.000 2.043 38 N HA -0.249 4.491 4.740 -0.000 0.000 0.193 38 N C 1.968 177.516 175.510 0.064 0.000 1.037 38 N CA 1.518 54.600 53.050 0.052 0.000 0.851 38 N CB -0.123 38.382 38.487 0.029 0.000 1.027 38 N HN 0.002 nan 8.380 nan 0.000 0.422 39 R N -0.554 119.984 120.500 0.064 0.000 2.105 39 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 39 R C 1.987 178.329 176.300 0.069 0.000 1.135 39 R CA 1.438 57.571 56.100 0.054 0.000 0.967 39 R CB -1.207 29.124 30.300 0.052 0.000 0.861 39 R HN 0.540 nan 8.270 nan 0.000 0.442 40 Y N 0.601 120.889 120.300 -0.019 0.000 2.070 40 Y HA -0.187 4.363 4.550 -0.000 0.000 0.279 40 Y C 1.648 177.520 175.900 -0.047 0.000 1.134 40 Y CA 2.412 60.494 58.100 -0.030 0.000 1.113 40 Y CB -0.674 37.770 38.460 -0.026 0.000 0.981 40 Y HN 0.212 nan 8.280 nan 0.000 0.487 41 N N -0.145 118.681 118.700 0.211 0.000 2.247 41 N HA -0.205 4.535 4.740 -0.000 0.000 0.189 41 N C 1.883 177.369 175.510 -0.040 0.000 1.009 41 N CA 0.820 53.915 53.050 0.076 0.000 0.872 41 N CB -0.474 38.076 38.487 0.105 0.000 0.980 41 N HN 0.585 nan 8.380 nan 0.000 0.436 42 G N 1.008 109.791 108.800 -0.030 0.000 2.434 42 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 42 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 42 G C 1.281 176.130 174.900 -0.085 0.000 1.202 42 G CA 0.410 45.485 45.100 -0.042 0.000 0.788 42 G HN 0.161 nan 8.290 nan 0.000 0.539 43 L N 0.506 121.655 121.223 -0.123 0.000 2.492 43 L HA 0.101 4.441 4.340 -0.000 0.000 0.223 43 L C 2.712 179.444 176.870 -0.231 0.000 1.132 43 L CA 0.727 55.480 54.840 -0.144 0.000 0.850 43 L CB -0.014 41.972 42.059 -0.122 0.000 0.966 43 L HN 0.175 nan 8.230 nan 0.000 0.454 44 T N -0.831 113.499 114.554 -0.373 0.000 3.021 44 T HA 0.105 4.455 4.350 -0.000 0.000 0.245 44 T C 0.897 175.386 174.700 -0.352 0.000 1.028 44 T CA 0.104 61.875 62.100 -0.548 0.000 1.139 44 T CB 0.384 68.629 68.868 -1.038 0.000 0.884 44 T HN 0.037 nan 8.240 nan 0.000 0.457 45 L N 0.532 121.626 121.223 -0.214 0.000 4.639 45 L HA -0.105 4.235 4.340 -0.000 0.000 0.402 45 L C 0.317 177.141 176.870 -0.077 0.000 1.069 45 L CA 0.663 55.439 54.840 -0.107 0.000 1.105 45 L CB -1.473 40.544 42.059 -0.071 0.000 2.122 45 L HN 0.242 nan 8.230 nan 0.000 0.662 46 R N -0.767 119.681 120.500 -0.087 0.000 2.607 46 R HA 0.707 5.047 4.340 -0.000 0.000 0.261 46 R C 0.930 177.269 176.300 0.065 0.000 1.051 46 R CA 0.109 56.218 56.100 0.014 0.000 1.110 46 R CB 0.941 31.287 30.300 0.075 0.000 1.158 46 R HN 0.182 nan 8.270 nan 0.000 0.543 47 G N 0.955 109.800 108.800 0.074 0.000 4.190 47 G HA2 0.334 4.294 3.960 -0.000 0.000 0.328 47 G HA3 0.334 4.294 3.960 -0.000 0.000 0.328 47 G C -0.362 174.569 174.900 0.052 0.000 1.364 47 G CA -0.304 44.831 45.100 0.057 0.000 1.259 47 G HN 0.207 nan 8.290 nan 0.000 0.525 48 V N 1.432 121.383 119.914 0.061 0.000 2.583 48 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 48 V C 0.601 176.694 176.094 -0.001 0.000 1.051 48 V CA -0.101 62.207 62.300 0.013 0.000 1.010 48 V CB 1.366 33.169 31.823 -0.032 0.000 0.988 48 V HN 0.502 nan 8.190 nan 0.000 0.478 49 T N 4.877 119.419 114.554 -0.019 0.000 2.895 49 T HA 0.336 4.686 4.350 -0.000 0.000 0.283 49 T C 0.831 175.513 174.700 -0.030 0.000 1.014 49 T CA -0.514 61.575 62.100 -0.018 0.000 1.037 49 T CB 1.767 70.624 68.868 -0.018 0.000 1.006 49 T HN 0.661 nan 8.240 nan 0.000 0.468 50 M N 0.600 120.186 119.600 -0.024 0.000 2.349 50 M HA 0.172 4.652 4.480 -0.000 0.000 0.266 50 M C 0.822 177.104 176.300 -0.030 0.000 1.076 50 M CA 1.314 56.597 55.300 -0.029 0.000 1.126 50 M CB 0.218 32.805 32.600 -0.021 0.000 1.392 50 M HN 0.300 nan 8.290 nan 0.000 0.440 51 R N 0.914 121.399 120.500 -0.026 0.000 2.443 51 R HA 0.381 4.721 4.340 -0.000 0.000 0.287 51 R C -2.760 173.523 176.300 -0.029 0.000 1.425 51 R CA -1.906 54.178 56.100 -0.027 0.000 1.300 51 R CB 0.611 30.898 30.300 -0.022 0.000 1.129 51 R HN 0.022 nan 8.270 nan 0.000 0.577 52 P HA 0.268 nan 4.420 nan 0.000 0.274 52 P C -0.105 177.172 177.300 -0.040 0.000 1.231 52 P CA -0.177 62.898 63.100 -0.041 0.000 0.790 52 P CB 1.601 33.269 31.700 -0.054 0.000 0.951 53 T N -3.930 110.601 114.554 -0.038 0.000 3.525 53 T HA -0.019 4.331 4.350 -0.000 0.000 0.286 53 T C 1.701 176.380 174.700 -0.036 0.000 0.944 53 T CA 0.607 62.686 62.100 -0.035 0.000 1.063 53 T CB -1.021 67.831 68.868 -0.026 0.000 1.179 53 T HN 0.336 nan 8.240 nan 0.000 0.493 54 S N 2.378 118.059 115.700 -0.032 0.000 2.414 54 S HA 0.015 4.485 4.470 -0.000 0.000 0.225 54 S C 1.511 176.089 174.600 -0.036 0.000 1.041 54 S CA 2.008 60.191 58.200 -0.028 0.000 1.114 54 S CB -0.574 62.614 63.200 -0.020 0.000 1.064 54 S HN 1.142 nan 8.310 nan 0.000 0.420 55 L N -1.815 119.380 121.223 -0.047 0.000 1.229 55 L HA 0.227 4.567 4.340 -0.000 0.000 0.063 55 L C 1.616 178.443 176.870 -0.072 0.000 1.500 55 L CA 1.106 55.910 54.840 -0.061 0.000 1.141 55 L CB -1.208 40.827 42.059 -0.039 0.000 2.299 55 L HN 0.299 nan 8.230 nan 0.000 0.443 56 A N 0.282 123.077 122.820 -0.041 0.000 2.024 56 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 56 A C 1.888 179.436 177.584 -0.059 0.000 1.164 56 A CA 2.190 54.207 52.037 -0.034 0.000 0.643 56 A CB -0.594 18.410 19.000 0.007 0.000 0.806 56 A HN 0.746 nan 8.150 nan 0.000 0.451 57 Q N -0.859 118.908 119.800 -0.055 0.000 2.049 57 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 57 Q C 2.378 178.322 176.000 -0.093 0.000 0.971 57 Q CA 1.219 56.989 55.803 -0.055 0.000 0.833 57 Q CB -0.148 28.565 28.738 -0.042 0.000 0.896 57 Q HN 0.649 nan 8.270 nan 0.000 0.434 58 R N 0.574 121.008 120.500 -0.109 0.000 2.081 58 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 58 R C 1.948 178.122 176.300 -0.209 0.000 1.131 58 R CA 1.193 57.213 56.100 -0.133 0.000 0.960 58 R CB -0.318 29.902 30.300 -0.133 0.000 0.856 58 R HN 0.274 nan 8.270 nan 0.000 0.436 59 N N 1.054 119.568 118.700 -0.311 0.000 2.043 59 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 59 N C 1.716 176.685 175.510 -0.901 0.000 1.037 59 N CA 1.318 53.950 53.050 -0.696 0.000 0.851 59 N CB -0.365 37.743 38.487 -0.631 0.000 1.027 59 N HN 0.194 nan 8.380 nan 0.000 0.422 60 E N 0.861 120.822 120.200 -0.400 0.000 2.070 60 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 60 E C 2.018 178.580 176.600 -0.063 0.000 1.004 60 E CA 1.209 57.560 56.400 -0.082 0.000 0.805 60 E CB -0.228 29.481 29.700 0.015 0.000 0.744 60 E HN 0.359 nan 8.360 nan 0.000 0.451 61 M N -0.967 118.561 119.600 -0.120 0.000 2.086 61 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 61 M C 1.954 178.194 176.300 -0.100 0.000 1.067 61 M CA 1.618 56.847 55.300 -0.119 0.000 1.116 61 M CB -0.238 32.304 32.600 -0.097 0.000 1.348 61 M HN 0.251 nan 8.290 nan 0.000 0.407 62 F N 0.848 120.660 119.950 -0.230 0.000 2.095 62 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 62 F C 1.556 177.353 175.800 -0.004 0.000 1.104 62 F CA 1.788 59.692 58.000 -0.159 0.000 1.232 62 F CB -0.533 38.324 39.000 -0.238 0.000 0.987 62 F HN 0.145 nan 8.300 nan 0.000 0.475 63 F N 0.194 120.143 119.950 -0.003 0.000 2.154 63 F HA -0.274 4.253 4.527 -0.000 0.000 0.301 63 F C 2.560 178.393 175.800 0.055 0.000 1.087 63 F CA 1.509 59.543 58.000 0.057 0.000 1.274 63 F CB -1.443 37.716 39.000 0.264 0.000 1.009 63 F HN 0.149 nan 8.300 nan 0.000 0.485 64 M N -0.700 118.954 119.600 0.090 0.000 2.077 64 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 64 M C 2.340 178.543 176.300 -0.161 0.000 1.070 64 M CA 2.040 57.217 55.300 -0.205 0.000 1.125 64 M CB -0.543 31.637 32.600 -0.700 0.000 1.339 64 M HN 0.170 nan 8.290 nan 0.000 0.409 65 C N 0.536 119.698 119.300 -0.230 0.000 2.413 65 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 65 C C 2.608 177.469 174.990 -0.216 0.000 1.248 65 C CA 0.850 59.731 59.018 -0.229 0.000 1.742 65 C CB -1.507 26.054 27.740 -0.298 0.000 2.017 65 C HN 0.723 nan 8.230 nan 0.000 0.481 66 L N 1.362 122.383 121.223 -0.336 0.000 2.017 66 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 66 L C 2.134 178.991 176.870 -0.021 0.000 1.073 66 L CA 2.067 56.743 54.840 -0.273 0.000 0.745 66 L CB -1.041 40.751 42.059 -0.446 0.000 0.894 66 L HN 0.265 nan 8.230 nan 0.000 0.432 67 D N -0.713 119.774 120.400 0.145 0.000 2.104 67 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 67 D C 2.185 178.580 176.300 0.159 0.000 0.994 67 D CA 1.985 56.145 54.000 0.267 0.000 0.830 67 D CB -0.041 41.000 40.800 0.403 0.000 0.959 67 D HN 0.420 nan 8.370 nan 0.000 0.452 68 M N -0.410 119.257 119.600 0.111 0.000 2.132 68 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 68 M C 2.305 178.621 176.300 0.028 0.000 1.065 68 M CA 0.868 56.211 55.300 0.071 0.000 1.122 68 M CB -0.269 32.356 32.600 0.040 0.000 1.365 68 M HN 0.021 nan 8.290 nan 0.000 0.411 69 M N 1.312 120.909 119.600 -0.005 0.000 2.082 69 M HA -0.206 4.274 4.480 -0.000 0.000 0.258 69 M C 2.000 178.299 176.300 -0.001 0.000 1.069 69 M CA 2.052 57.343 55.300 -0.016 0.000 1.102 69 M CB -0.663 31.913 32.600 -0.040 0.000 1.336 69 M HN 0.301 nan 8.290 nan 0.000 0.404 70 L N -0.799 120.432 121.223 0.014 0.000 1.994 70 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 70 L C 2.492 179.376 176.870 0.024 0.000 1.071 70 L CA 1.461 56.315 54.840 0.023 0.000 0.745 70 L CB -1.111 40.980 42.059 0.053 0.000 0.892 70 L HN 0.276 nan 8.230 nan 0.000 0.431 71 S N 0.076 115.799 115.700 0.040 0.000 2.365 71 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 71 S C 2.190 176.798 174.600 0.014 0.000 1.039 71 S CA 1.433 59.653 58.200 0.032 0.000 1.033 71 S CB -0.400 62.829 63.200 0.049 0.000 0.887 71 S HN 0.506 nan 8.310 nan 0.000 0.447 72 A N 0.987 123.812 122.820 0.008 0.000 1.972 72 A HA 0.120 4.440 4.320 -0.000 0.000 0.219 72 A C 2.164 179.738 177.584 -0.017 0.000 1.169 72 A CA 1.693 53.725 52.037 -0.008 0.000 0.635 72 A CB -0.719 18.273 19.000 -0.014 0.000 0.810 72 A HN 0.537 nan 8.150 nan 0.000 0.446 73 A N -1.930 120.883 122.820 -0.013 0.000 2.218 73 A HA 0.425 4.745 4.320 -0.000 0.000 0.209 73 A C 1.719 179.295 177.584 -0.013 0.000 1.168 73 A CA 1.129 53.155 52.037 -0.019 0.000 0.804 73 A CB -0.812 18.176 19.000 -0.020 0.000 0.834 73 A HN 1.903 nan 8.150 nan 0.000 0.482 74 G N -0.415 108.381 108.800 -0.006 0.000 2.198 74 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 74 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 74 G C -0.061 174.838 174.900 -0.001 0.000 1.042 74 G CA 0.429 45.527 45.100 -0.003 0.000 0.791 74 G HN 0.484 nan 8.290 nan 0.000 0.502 75 I N 0.286 120.858 120.570 0.002 0.000 2.392 75 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 75 I C 0.398 176.523 176.117 0.013 0.000 0.985 75 I CA -0.717 60.585 61.300 0.003 0.000 1.221 75 I CB 1.779 39.777 38.000 -0.003 0.000 1.366 75 I HN 0.234 nan 8.210 nan 0.000 0.467 76 N N 5.621 124.327 118.700 0.010 0.000 2.564 76 N HA 0.201 4.941 4.740 -0.000 0.000 0.248 76 N C 0.754 176.274 175.510 0.017 0.000 0.986 76 N CA -0.407 52.651 53.050 0.014 0.000 0.921 76 N CB 1.601 40.090 38.487 0.004 0.000 1.136 76 N HN 0.573 nan 8.380 nan 0.000 0.509 77 V N 1.839 121.774 119.914 0.035 0.000 2.667 77 V HA 0.281 4.401 4.120 -0.000 0.000 0.252 77 V C 1.207 177.324 176.094 0.038 0.000 1.065 77 V CA 1.107 63.429 62.300 0.036 0.000 1.083 77 V CB -1.437 30.421 31.823 0.058 0.000 0.692 77 V HN 0.813 nan 8.190 nan 0.000 0.468 78 G N 1.216 110.037 108.800 0.035 0.000 2.782 78 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.228 78 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.228 78 G C -2.101 172.828 174.900 0.048 0.000 1.372 78 G CA -0.243 44.872 45.100 0.026 0.000 0.862 78 G HN 0.638 nan 8.290 nan 0.000 0.547 79 P HA 0.156 nan 4.420 nan 0.000 0.252 79 P C 1.107 178.523 177.300 0.192 0.000 1.635 79 P CA 0.713 63.875 63.100 0.103 0.000 1.206 79 P CB -0.866 30.882 31.700 0.080 0.000 1.911 80 I N -1.039 119.615 120.570 0.140 0.000 4.070 80 I HA 0.287 4.457 4.170 -0.000 0.000 0.328 80 I C 0.391 176.453 176.117 -0.092 0.000 1.298 80 I CA -0.191 61.171 61.300 0.105 0.000 1.173 80 I CB 0.463 38.508 38.000 0.075 0.000 1.051 80 I HN 0.081 nan 8.210 nan 0.000 0.409 81 S N 1.432 117.062 115.700 -0.117 0.000 2.541 81 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 81 S C -2.255 172.255 174.600 -0.150 0.000 1.133 81 S CA -0.994 57.064 58.200 -0.236 0.000 0.876 81 S CB 1.949 65.204 63.200 0.093 0.000 1.105 81 S HN 0.005 nan 8.310 nan 0.000 0.470 82 P HA 0.175 nan 4.420 nan 0.000 0.230 82 P C 0.042 177.372 177.300 0.051 0.000 1.168 82 P CA 0.564 63.699 63.100 0.059 0.000 0.793 82 P CB 0.291 32.068 31.700 0.129 0.000 0.851 83 D N -1.070 119.373 120.400 0.071 0.000 2.269 83 D HA -0.018 4.622 4.640 -0.000 0.000 0.220 83 D C 0.621 176.866 176.300 -0.093 0.000 0.962 83 D CA 0.653 54.712 54.000 0.098 0.000 0.884 83 D CB -0.610 40.361 40.800 0.285 0.000 1.023 83 D HN 0.186 nan 8.370 nan 0.000 0.484 84 Y N 1.143 121.221 120.300 -0.369 0.000 2.352 84 Y HA 0.405 4.955 4.550 -0.000 0.000 0.326 84 Y C -0.684 175.002 175.900 -0.358 0.000 1.166 84 Y CA 0.019 57.687 58.100 -0.720 0.000 1.182 84 Y CB 1.450 39.349 38.460 -0.935 0.000 1.216 84 Y HN -0.324 nan 8.280 nan 0.000 0.474 85 T N 6.025 119.850 114.554 -1.215 0.000 2.971 85 T HA 0.165 4.515 4.350 -0.000 0.000 0.304 85 T C -1.340 172.592 174.700 -1.280 0.000 1.038 85 T CA -0.783 60.771 62.100 -0.909 0.000 1.007 85 T CB 1.400 69.935 68.868 -0.555 0.000 1.055 85 T HN 0.684 nan 8.240 nan 0.000 0.451 86 Q N 2.492 121.819 119.800 -0.789 0.000 2.286 86 Q HA 0.170 4.510 4.340 -0.000 0.000 0.257 86 Q C -0.702 175.074 176.000 -0.373 0.000 0.941 86 Q CA -0.370 55.188 55.803 -0.408 0.000 0.912 86 Q CB 0.467 29.189 28.738 -0.027 0.000 1.192 86 Q HN 0.653 nan 8.270 nan 0.000 0.410 87 H N 5.918 124.896 119.070 -0.152 0.000 2.597 87 H HA 0.116 4.672 4.556 -0.000 0.000 0.303 87 H C 0.615 175.903 175.328 -0.068 0.000 1.057 87 H CA -0.609 55.366 56.048 -0.122 0.000 1.261 87 H CB 1.233 30.903 29.762 -0.153 0.000 1.397 87 H HN 0.690 nan 8.280 nan 0.000 0.461 88 M N 1.750 121.356 119.600 0.009 0.000 2.279 88 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 88 M C 2.310 178.619 176.300 0.014 0.000 1.062 88 M CA 0.768 56.073 55.300 0.009 0.000 1.099 88 M CB -1.112 31.479 32.600 -0.014 0.000 1.394 88 M HN 0.649 nan 8.290 nan 0.000 0.426 89 A N 0.185 123.010 122.820 0.009 0.000 2.076 89 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 89 A C 2.254 179.823 177.584 -0.025 0.000 1.160 89 A CA 2.003 54.031 52.037 -0.016 0.000 0.653 89 A CB -1.180 17.798 19.000 -0.037 0.000 0.801 89 A HN 0.514 nan 8.150 nan 0.000 0.455 90 T N 0.265 114.814 114.554 -0.008 0.000 2.760 90 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 90 T C 1.720 176.445 174.700 0.043 0.000 1.047 90 T CA 1.654 63.768 62.100 0.023 0.000 1.139 90 T CB -0.435 68.502 68.868 0.116 0.000 0.855 90 T HN 0.494 nan 8.240 nan 0.000 0.471 91 I N 1.797 122.386 120.570 0.030 0.000 2.208 91 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 91 I C 2.491 178.619 176.117 0.019 0.000 1.097 91 I CA 1.430 62.745 61.300 0.025 0.000 1.363 91 I CB -0.972 37.037 38.000 0.015 0.000 1.051 91 I HN 0.244 nan 8.210 nan 0.000 0.413 92 G N -0.413 108.392 108.800 0.008 0.000 2.432 92 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 92 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 92 G C 1.626 176.535 174.900 0.015 0.000 1.135 92 G CA 1.123 46.226 45.100 0.005 0.000 0.767 92 G HN 0.391 nan 8.290 nan 0.000 0.550 93 V N 0.985 120.912 119.914 0.021 0.000 2.358 93 V HA -0.054 4.066 4.120 -0.000 0.000 0.246 93 V C 2.654 178.784 176.094 0.060 0.000 1.047 93 V CA 0.827 63.154 62.300 0.045 0.000 1.035 93 V CB -0.351 31.520 31.823 0.079 0.000 0.658 93 V HN 0.198 nan 8.190 nan 0.000 0.452 94 L N 0.349 121.607 121.223 0.058 0.000 2.376 94 L HA 0.068 4.408 4.340 -0.000 0.000 0.219 94 L C 2.359 179.257 176.870 0.046 0.000 1.133 94 L CA 1.848 56.720 54.840 0.054 0.000 0.816 94 L CB -1.719 40.365 42.059 0.041 0.000 0.933 94 L HN 0.390 nan 8.230 nan 0.000 0.449 95 A N -1.245 121.597 122.820 0.037 0.000 2.218 95 A HA 0.064 4.384 4.320 -0.000 0.000 0.209 95 A C 0.939 178.547 177.584 0.041 0.000 1.168 95 A CA 0.093 52.149 52.037 0.032 0.000 0.804 95 A CB -0.575 18.436 19.000 0.020 0.000 0.834 95 A HN 0.374 nan 8.150 nan 0.000 0.482 96 T N 1.393 115.974 114.554 0.045 0.000 2.752 96 T HA 0.273 4.623 4.350 -0.000 0.000 0.295 96 T C -1.497 173.238 174.700 0.058 0.000 0.923 96 T CA -1.180 60.946 62.100 0.043 0.000 1.112 96 T CB 1.098 69.987 68.868 0.036 0.000 0.884 96 T HN 0.215 nan 8.240 nan 0.000 0.525 97 P HA -0.224 nan 4.420 nan 0.000 0.218 97 P C 1.375 178.700 177.300 0.041 0.000 1.146 97 P CA 1.187 64.325 63.100 0.063 0.000 0.813 97 P CB 0.267 31.994 31.700 0.045 0.000 0.778 98 E N 0.527 120.744 120.200 0.028 0.000 2.209 98 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 98 E C 1.006 177.613 176.600 0.010 0.000 0.993 98 E CA 0.614 57.021 56.400 0.012 0.000 0.819 98 E CB -0.731 28.976 29.700 0.012 0.000 0.745 98 E HN 0.379 nan 8.360 nan 0.000 0.477 99 I N 4.365 124.956 120.570 0.035 0.000 2.322 99 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 99 I C -1.948 174.197 176.117 0.046 0.000 1.060 99 I CA -2.245 59.079 61.300 0.041 0.000 1.309 99 I CB 0.591 38.632 38.000 0.067 0.000 1.415 99 I HN -0.105 nan 8.210 nan 0.000 0.492 100 P HA 0.344 nan 4.420 nan 0.000 0.279 100 P C -1.096 176.168 177.300 -0.060 0.000 1.282 100 P CA -0.134 62.858 63.100 -0.180 0.000 0.788 100 P CB 0.848 32.429 31.700 -0.198 0.000 1.139 101 F N -3.395 116.556 119.950 0.002 0.000 2.591 101 F HA 0.492 5.019 4.527 -0.000 0.000 0.309 101 F C 0.091 175.892 175.800 0.003 0.000 1.098 101 F CA -1.143 56.858 58.000 0.002 0.000 0.937 101 F CB 0.088 39.091 39.000 0.004 0.000 1.250 101 F HN 0.222 nan 8.300 nan 0.000 0.447 102 T N -1.485 113.175 114.554 0.176 0.000 2.855 102 T HA 0.133 4.483 4.350 -0.000 0.000 0.322 102 T C 0.967 175.770 174.700 0.171 0.000 1.088 102 T CA 0.194 62.358 62.100 0.106 0.000 1.104 102 T CB 0.709 69.624 68.868 0.078 0.000 0.996 102 T HN 0.772 nan 8.240 nan 0.000 0.549 103 T N 1.001 115.613 114.554 0.095 0.000 2.821 103 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 103 T C 1.821 176.582 174.700 0.102 0.000 1.046 103 T CA 1.372 63.534 62.100 0.103 0.000 1.139 103 T CB -0.346 68.552 68.868 0.051 0.000 0.871 103 T HN 0.684 nan 8.240 nan 0.000 0.454 104 E N 1.801 122.048 120.200 0.078 0.000 2.049 104 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 104 E C 2.470 179.117 176.600 0.079 0.000 1.007 104 E CA 1.460 57.899 56.400 0.065 0.000 0.809 104 E CB -0.756 28.976 29.700 0.053 0.000 0.749 104 E HN 0.510 nan 8.360 nan 0.000 0.450 105 A N 0.842 123.722 122.820 0.100 0.000 1.908 105 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 105 A C 2.359 179.975 177.584 0.053 0.000 1.181 105 A CA 2.163 54.251 52.037 0.084 0.000 0.627 105 A CB -0.965 18.099 19.000 0.106 0.000 0.818 105 A HN 0.289 nan 8.150 nan 0.000 0.445 106 A N 0.440 123.327 122.820 0.113 0.000 1.851 106 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 106 A C 1.969 179.573 177.584 0.034 0.000 1.195 106 A CA 1.711 53.781 52.037 0.055 0.000 0.622 106 A CB -0.927 18.212 19.000 0.232 0.000 0.831 106 A HN 0.691 nan 8.150 nan 0.000 0.444 107 N N -0.800 117.936 118.700 0.060 0.000 2.149 107 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 107 N C 1.839 177.380 175.510 0.052 0.000 1.019 107 N CA 1.543 54.619 53.050 0.043 0.000 0.857 107 N CB -0.164 38.344 38.487 0.036 0.000 0.997 107 N HN 0.664 nan 8.380 nan 0.000 0.426 108 E N 0.849 121.092 120.200 0.072 0.000 2.038 108 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 108 E C 2.000 178.685 176.600 0.142 0.000 1.000 108 E CA 1.087 57.569 56.400 0.136 0.000 0.803 108 E CB 0.095 29.869 29.700 0.124 0.000 0.750 108 E HN 0.200 nan 8.360 nan 0.000 0.448 109 I N 0.705 121.301 120.570 0.045 0.000 2.202 109 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 109 I C 2.435 178.558 176.117 0.009 0.000 1.091 109 I CA 1.354 62.652 61.300 -0.003 0.000 1.368 109 I CB -1.682 36.274 38.000 -0.073 0.000 1.058 109 I HN 0.135 nan 8.210 nan 0.000 0.410 110 A N 0.709 123.533 122.820 0.006 0.000 2.032 110 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 110 A C 2.427 180.027 177.584 0.027 0.000 1.165 110 A CA 1.999 54.039 52.037 0.005 0.000 0.645 110 A CB -0.545 18.459 19.000 0.007 0.000 0.807 110 A HN 0.314 nan 8.150 nan 0.000 0.453 111 R N -0.232 120.309 120.500 0.069 0.000 2.057 111 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 111 R C 1.910 178.294 176.300 0.140 0.000 1.136 111 R CA 1.913 58.069 56.100 0.094 0.000 0.952 111 R CB -1.189 29.173 30.300 0.103 0.000 0.848 111 R HN 0.218 nan 8.270 nan 0.000 0.430 112 V N 0.527 120.550 119.914 0.181 0.000 2.219 112 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 112 V C 2.121 178.216 176.094 0.002 0.000 1.053 112 V CA 2.615 64.957 62.300 0.070 0.000 1.009 112 V CB -0.982 30.806 31.823 -0.058 0.000 0.636 112 V HN 0.494 nan 8.190 nan 0.000 0.445 113 T N 0.188 114.731 114.554 -0.018 0.000 2.699 113 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 113 T C 1.846 176.517 174.700 -0.049 0.000 1.036 113 T CA 1.631 63.705 62.100 -0.044 0.000 1.147 113 T CB -0.861 67.981 68.868 -0.044 0.000 0.862 113 T HN 0.660 nan 8.240 nan 0.000 0.446 114 G N 2.165 110.949 108.800 -0.026 0.000 2.545 114 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 114 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 114 G C 1.450 176.316 174.900 -0.057 0.000 1.218 114 G CA 1.464 46.544 45.100 -0.033 0.000 0.787 114 G HN 0.715 nan 8.290 nan 0.000 0.571 115 E N -0.694 119.484 120.200 -0.036 0.000 2.106 115 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 115 E C 2.263 178.787 176.600 -0.127 0.000 0.984 115 E CA 1.601 57.966 56.400 -0.058 0.000 0.806 115 E CB -0.985 28.714 29.700 -0.003 0.000 0.750 115 E HN 0.248 nan 8.360 nan 0.000 0.458 116 T N 0.329 114.816 114.554 -0.111 0.000 2.720 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 116 T C 1.874 176.416 174.700 -0.264 0.000 1.037 116 T CA 1.885 63.892 62.100 -0.155 0.000 1.144 116 T CB -0.495 68.311 68.868 -0.103 0.000 0.864 116 T HN 0.488 nan 8.240 nan 0.000 0.444 117 S N -0.712 114.843 115.700 -0.243 0.000 2.561 117 S HA 0.110 4.580 4.470 -0.000 0.000 0.225 117 S C 0.960 175.265 174.600 -0.491 0.000 0.977 117 S CA 0.273 58.295 58.200 -0.298 0.000 0.926 117 S CB -0.016 63.080 63.200 -0.175 0.000 0.769 117 S HN 0.406 nan 8.310 nan 0.000 0.533 118 T N -0.179 114.056 114.554 -0.532 0.000 2.716 118 T HA 0.548 4.898 4.350 -0.000 0.000 0.286 118 T C -1.756 172.555 174.700 -0.648 0.000 1.052 118 T CA -0.928 60.798 62.100 -0.624 0.000 1.024 118 T CB 0.946 69.705 68.868 -0.181 0.000 1.349 118 T HN 0.413 nan 8.240 nan 0.000 0.525 119 W N -0.246 121.055 121.300 0.001 0.000 2.804 119 W HA 0.702 5.362 4.660 -0.000 0.000 0.352 119 W C 0.197 176.715 176.519 -0.002 0.000 1.153 119 W CA -0.937 56.407 57.345 -0.001 0.000 1.119 119 W CB 1.468 30.925 29.460 -0.005 0.000 1.448 119 W HN 1.021 nan 8.180 nan 0.000 0.600 120 G N 1.064 110.014 108.800 0.250 0.000 2.579 120 G HA2 0.422 4.382 3.960 -0.000 0.000 0.292 120 G HA3 0.422 4.382 3.960 -0.000 0.000 0.292 120 G C -3.114 171.842 174.900 0.093 0.000 1.484 120 G CA -0.953 44.227 45.100 0.133 0.000 0.813 120 G HN 0.026 nan 8.290 nan 0.000 0.515 121 P HA 0.483 nan 4.420 nan 0.000 0.271 121 P C -0.453 176.856 177.300 0.015 0.000 1.220 121 P CA 0.099 63.224 63.100 0.042 0.000 0.768 121 P CB 1.638 33.370 31.700 0.053 0.000 0.848 122 A N 3.580 126.391 122.820 -0.014 0.000 2.517 122 A HA 0.407 4.727 4.320 -0.000 0.000 0.297 122 A C -0.201 177.316 177.584 -0.112 0.000 1.050 122 A CA -0.911 51.092 52.037 -0.057 0.000 0.694 122 A CB 1.272 20.241 19.000 -0.051 0.000 1.277 122 A HN 0.439 nan 8.150 nan 0.000 0.400 123 R N 1.954 122.369 120.500 -0.142 0.000 2.507 123 R HA 0.062 4.402 4.340 -0.000 0.000 0.341 123 R C -0.152 176.009 176.300 -0.231 0.000 0.960 123 R CA 0.063 56.047 56.100 -0.194 0.000 1.032 123 R CB 0.199 30.314 30.300 -0.308 0.000 0.933 123 R HN 0.664 nan 8.270 nan 0.000 0.418 124 Q N 4.360 123.944 119.800 -0.360 0.000 2.392 124 Q HA 0.014 4.354 4.340 -0.000 0.000 0.262 124 Q C -1.172 174.676 176.000 -0.253 0.000 1.003 124 Q CA -1.305 54.249 55.803 -0.415 0.000 0.888 124 Q CB 0.497 28.716 28.738 -0.864 0.000 1.260 124 Q HN 0.482 nan 8.270 nan 0.000 0.435 125 P HA -0.146 nan 4.420 nan 0.000 0.216 125 P C -0.266 176.791 177.300 -0.406 0.000 1.153 125 P CA 1.605 64.410 63.100 -0.491 0.000 0.848 125 P CB 0.245 31.397 31.700 -0.913 0.000 0.787 126 Y N -0.402 119.990 120.300 0.154 0.000 2.631 126 Y HA 0.599 5.149 4.550 -0.000 0.000 0.328 126 Y C 1.547 177.598 175.900 0.253 0.000 1.118 126 Y CA -1.364 56.840 58.100 0.175 0.000 1.206 126 Y CB -0.377 38.171 38.460 0.147 0.000 1.337 126 Y HN -0.156 nan 8.280 nan 0.000 0.515 127 G N -0.034 108.999 108.800 0.390 0.000 2.491 127 G HA2 0.012 3.972 3.960 -0.000 0.000 0.238 127 G HA3 0.012 3.972 3.960 -0.000 0.000 0.238 127 G C 0.381 175.416 174.900 0.224 0.000 1.277 127 G CA -0.174 45.112 45.100 0.310 0.000 0.851 127 G HN 0.680 nan 8.290 nan 0.000 0.573 128 F N 1.746 121.638 119.950 -0.097 0.000 2.065 128 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 128 F C 1.589 177.110 175.800 -0.465 0.000 1.112 128 F CA 1.196 58.862 58.000 -0.556 0.000 1.212 128 F CB -0.124 38.347 39.000 -0.881 0.000 0.975 128 F HN 0.346 nan 8.300 nan 0.000 0.476 129 F N 0.443 120.592 119.950 0.331 0.000 2.871 129 F HA 0.192 4.719 4.527 -0.000 0.000 0.317 129 F C 1.156 177.030 175.800 0.124 0.000 1.193 129 F CA -0.258 57.867 58.000 0.209 0.000 1.311 129 F CB -0.466 38.614 39.000 0.133 0.000 1.380 129 F HN -0.032 nan 8.300 nan 0.000 0.557 130 L N 0.343 121.687 121.223 0.201 0.000 2.131 130 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 130 L C 1.627 178.567 176.870 0.117 0.000 1.087 130 L CA 1.643 56.574 54.840 0.153 0.000 0.767 130 L CB -0.202 41.938 42.059 0.135 0.000 0.917 130 L HN 0.160 nan 8.230 nan 0.000 0.441 131 E N 0.736 121.003 120.200 0.111 0.000 2.424 131 E HA 0.059 4.409 4.350 -0.000 0.000 0.237 131 E C -0.177 176.482 176.600 0.099 0.000 1.381 131 E CA 0.131 56.583 56.400 0.087 0.000 1.587 131 E CB -0.562 29.177 29.700 0.066 0.000 1.398 131 E HN 0.494 nan 8.360 nan 0.000 0.439 132 T N -2.662 111.962 114.554 0.116 0.000 2.875 132 T HA 0.259 4.609 4.350 -0.000 0.000 0.284 132 T C 0.834 175.567 174.700 0.056 0.000 0.995 132 T CA -0.771 61.390 62.100 0.102 0.000 1.060 132 T CB 2.091 71.034 68.868 0.125 0.000 0.967 132 T HN 0.021 nan 8.240 nan 0.000 0.476 133 E N 1.163 121.385 120.200 0.037 0.000 2.127 133 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 133 E C 0.168 176.758 176.600 -0.016 0.000 0.964 133 E CA 0.497 56.904 56.400 0.011 0.000 0.832 133 E CB 0.354 30.059 29.700 0.008 0.000 0.790 133 E HN 0.737 nan 8.360 nan 0.000 0.465 134 E N 0.822 121.014 120.200 -0.013 0.000 2.179 134 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 134 E C -0.759 175.822 176.600 -0.031 0.000 0.945 134 E CA -0.269 56.090 56.400 -0.067 0.000 0.792 134 E CB 2.242 31.907 29.700 -0.058 0.000 1.125 134 E HN -0.166 nan 8.360 nan 0.000 0.397 135 T N 2.092 116.569 114.554 -0.129 0.000 2.909 135 T HA 0.585 4.935 4.350 -0.000 0.000 0.299 135 T C -1.523 173.063 174.700 -0.191 0.000 1.073 135 T CA -0.589 61.497 62.100 -0.024 0.000 0.999 135 T CB 0.498 69.355 68.868 -0.018 0.000 1.098 135 T HN 0.243 nan 8.240 nan 0.000 0.477 136 F N 1.795 121.643 119.950 -0.169 0.000 2.541 136 F HA 0.535 5.062 4.527 -0.000 0.000 0.331 136 F C 0.682 176.420 175.800 -0.103 0.000 1.057 136 F CA -1.021 56.873 58.000 -0.175 0.000 0.975 136 F CB 1.419 40.255 39.000 -0.272 0.000 1.246 136 F HN 0.486 nan 8.300 nan 0.000 0.484 137 Q N 4.367 124.219 119.800 0.087 0.000 2.311 137 Q HA 0.162 4.502 4.340 -0.000 0.000 0.272 137 Q C -2.423 173.630 176.000 0.089 0.000 1.012 137 Q CA -1.733 54.112 55.803 0.070 0.000 0.891 137 Q CB 0.820 29.601 28.738 0.071 0.000 1.201 137 Q HN 0.181 nan 8.270 nan 0.000 0.391 138 P HA 0.064 nan 4.420 nan 0.000 0.276 138 P C 0.209 177.561 177.300 0.086 0.000 1.253 138 P CA 0.847 63.982 63.100 0.059 0.000 0.766 138 P CB 0.824 32.554 31.700 0.050 0.000 0.845 139 G N 3.122 111.977 108.800 0.091 0.000 2.195 139 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 139 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 139 G C 0.305 175.356 174.900 0.251 0.000 0.984 139 G CA -0.112 45.083 45.100 0.159 0.000 0.633 139 G HN 0.734 nan 8.290 nan 0.000 0.525 140 R N 0.770 121.396 120.500 0.211 0.000 2.221 140 R HA 0.409 4.749 4.340 -0.000 0.000 0.327 140 R C 0.770 177.269 176.300 0.331 0.000 1.033 140 R CA -0.837 55.434 56.100 0.285 0.000 0.887 140 R CB 0.224 30.660 30.300 0.226 0.000 1.057 140 R HN 0.303 nan 8.270 nan 0.000 0.455 141 W N 6.787 128.255 121.300 0.281 0.000 2.209 141 W HA 0.083 4.743 4.660 -0.000 0.000 0.344 141 W C -1.576 175.098 176.519 0.258 0.000 1.285 141 W CA 0.324 57.813 57.345 0.240 0.000 1.267 141 W CB 0.374 30.018 29.460 0.305 0.000 1.167 141 W HN 0.593 nan 8.180 nan 0.000 0.574 142 F N 7.755 127.243 119.950 -0.770 0.000 2.670 142 F HA 0.299 4.826 4.527 -0.000 0.000 0.332 142 F C -1.678 173.669 175.800 -0.755 0.000 1.179 142 F CA -0.975 56.723 58.000 -0.505 0.000 1.076 142 F CB 0.855 39.721 39.000 -0.223 0.000 1.322 142 F HN 0.187 nan 8.300 nan 0.000 0.515 143 M N 7.009 125.965 119.600 -1.073 0.000 2.134 143 M HA 0.482 4.962 4.480 -0.000 0.000 0.310 143 M C -0.847 175.028 176.300 -0.708 0.000 0.966 143 M CA -0.481 54.405 55.300 -0.690 0.000 0.922 143 M CB 1.341 33.811 32.600 -0.217 0.000 1.537 143 M HN 0.646 nan 8.290 nan 0.000 0.424 144 R N 3.150 123.376 120.500 -0.457 0.000 2.543 144 R HA 0.641 4.981 4.340 -0.000 0.000 0.277 144 R C -0.349 175.860 176.300 -0.152 0.000 1.074 144 R CA 0.133 56.094 56.100 -0.233 0.000 1.076 144 R CB 0.625 30.920 30.300 -0.008 0.000 0.993 144 R HN 0.916 nan 8.270 nan 0.000 0.459 145 A N 3.376 126.137 122.820 -0.099 0.000 2.580 145 A HA 0.275 4.595 4.320 -0.000 0.000 0.244 145 A C 1.196 178.759 177.584 -0.036 0.000 1.045 145 A CA 0.908 52.912 52.037 -0.055 0.000 0.761 145 A CB -0.520 18.464 19.000 -0.026 0.000 0.962 145 A HN 1.411 nan 8.150 nan 0.000 0.512 146 A N 1.637 124.440 122.820 -0.028 0.000 3.383 146 A HA -0.181 4.139 4.320 -0.000 0.000 0.264 146 A C 0.417 177.988 177.584 -0.022 0.000 1.154 146 A CA 1.667 53.694 52.037 -0.018 0.000 1.179 146 A CB -2.311 16.681 19.000 -0.012 0.000 1.133 146 A HN 0.975 nan 8.150 nan 0.000 0.933 147 Q N -1.727 118.051 119.800 -0.038 0.000 2.266 147 Q HA 0.712 5.052 4.340 -0.000 0.000 0.261 147 Q C 1.028 177.004 176.000 -0.039 0.000 0.985 147 Q CA 0.050 55.826 55.803 -0.045 0.000 0.873 147 Q CB 1.729 30.426 28.738 -0.068 0.000 1.306 147 Q HN 0.886 nan 8.270 nan 0.000 0.447 148 A N 0.930 123.730 122.820 -0.033 0.000 2.115 148 A HA 0.487 4.807 4.320 -0.000 0.000 0.211 148 A C 0.370 177.928 177.584 -0.043 0.000 1.169 148 A CA 0.586 52.616 52.037 -0.011 0.000 0.787 148 A CB 0.551 19.549 19.000 -0.003 0.000 0.858 148 A HN 0.586 nan 8.150 nan 0.000 0.474 149 A N -0.350 122.415 122.820 -0.092 0.000 2.353 149 A HA 0.628 4.948 4.320 -0.000 0.000 0.299 149 A C -0.640 176.840 177.584 -0.175 0.000 1.089 149 A CA -0.244 51.706 52.037 -0.145 0.000 0.736 149 A CB 0.907 19.822 19.000 -0.142 0.000 1.195 149 A HN 0.038 nan 8.150 nan 0.000 0.447 150 T N 2.279 116.685 114.554 -0.245 0.000 2.963 150 T HA 0.578 4.928 4.350 -0.000 0.000 0.328 150 T C 0.026 174.560 174.700 -0.277 0.000 1.048 150 T CA 0.052 62.011 62.100 -0.235 0.000 1.033 150 T CB 1.029 69.760 68.868 -0.229 0.000 1.010 150 T HN 1.144 nan 8.240 nan 0.000 0.469 151 A N 2.871 125.535 122.820 -0.260 0.000 2.327 151 A HA 0.874 5.194 4.320 -0.000 0.000 0.283 151 A C -0.221 177.124 177.584 -0.399 0.000 1.127 151 A CA -0.509 51.342 52.037 -0.309 0.000 0.810 151 A CB 0.793 19.632 19.000 -0.268 0.000 1.066 151 A HN 0.689 nan 8.150 nan 0.000 0.492 152 V N 2.278 121.899 119.914 -0.488 0.000 3.147 152 V HA 0.452 4.572 4.120 -0.000 0.000 0.299 152 V C -0.514 175.238 176.094 -0.571 0.000 1.302 152 V CA -0.312 61.597 62.300 -0.651 0.000 1.015 152 V CB 2.282 33.434 31.823 -1.119 0.000 1.086 152 V HN 1.533 nan 8.190 nan 0.000 0.437 153 V N 4.472 124.070 119.914 -0.526 0.000 2.614 153 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 153 V C 0.710 176.706 176.094 -0.164 0.000 1.049 153 V CA 0.791 62.830 62.300 -0.435 0.000 1.038 153 V CB 0.789 32.337 31.823 -0.459 0.000 0.980 153 V HN 1.460 nan 8.190 nan 0.000 0.481 154 C N 3.226 122.448 119.300 -0.130 0.000 3.512 154 C HA 0.886 5.346 4.460 -0.000 0.000 0.276 154 C C 0.788 175.783 174.990 0.009 0.000 1.592 154 C CA -0.034 58.973 59.018 -0.018 0.000 1.803 154 C CB -1.292 26.434 27.740 -0.023 0.000 2.996 154 C HN 1.585 nan 8.230 nan 0.000 0.590 155 G N 0.527 109.333 108.800 0.010 0.000 2.430 155 G HA2 0.523 4.483 3.960 -0.000 0.000 0.300 155 G HA3 0.523 4.483 3.960 -0.000 0.000 0.300 155 G C -2.884 172.096 174.900 0.133 0.000 1.330 155 G CA -0.431 44.709 45.100 0.068 0.000 0.813 155 G HN -0.182 nan 8.290 nan 0.000 0.487 156 P HA 0.114 nan 4.420 nan 0.000 0.221 156 P C 0.353 177.870 177.300 0.362 0.000 1.150 156 P CA 1.569 64.814 63.100 0.242 0.000 0.800 156 P CB 0.275 32.085 31.700 0.184 0.000 0.787 157 D N -3.012 117.586 120.400 0.331 0.000 2.760 157 D HA 0.260 4.900 4.640 -0.000 0.000 0.314 157 D C -0.180 176.323 176.300 0.339 0.000 1.464 157 D CA -0.154 54.076 54.000 0.383 0.000 0.797 157 D CB -0.242 40.727 40.800 0.281 0.000 1.149 157 D HN -0.005 nan 8.370 nan 0.000 0.455 158 M N 1.533 121.290 119.600 0.261 0.000 2.386 158 M HA 0.567 5.047 4.480 -0.000 0.000 0.293 158 M C -1.823 174.405 176.300 -0.120 0.000 1.120 158 M CA -0.888 54.468 55.300 0.094 0.000 0.909 158 M CB 2.457 35.097 32.600 0.066 0.000 1.661 158 M HN 0.204 nan 8.290 nan 0.000 0.452 159 I N 1.201 121.686 120.570 -0.142 0.000 2.769 159 I HA 0.753 4.923 4.170 -0.000 0.000 0.298 159 I C -1.521 174.487 176.117 -0.183 0.000 1.128 159 I CA -0.646 60.472 61.300 -0.304 0.000 1.031 159 I CB 2.426 40.137 38.000 -0.482 0.000 1.235 159 I HN 0.753 nan 8.210 nan 0.000 0.423 160 Q N 3.865 123.527 119.800 -0.230 0.000 2.372 160 Q HA 0.796 5.136 4.340 -0.000 0.000 0.273 160 Q C -1.772 174.075 176.000 -0.254 0.000 1.078 160 Q CA -1.073 54.616 55.803 -0.190 0.000 0.806 160 Q CB 3.002 31.644 28.738 -0.160 0.000 1.332 160 Q HN 0.586 nan 8.270 nan 0.000 0.435 161 V N 1.663 121.438 119.914 -0.232 0.000 2.409 161 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 161 V C -0.395 175.513 176.094 -0.311 0.000 1.020 161 V CA -0.673 61.466 62.300 -0.268 0.000 0.848 161 V CB 1.607 33.292 31.823 -0.231 0.000 0.990 161 V HN 0.855 nan 8.190 nan 0.000 0.430 162 S N 6.528 121.973 115.700 -0.425 0.000 2.452 162 S HA 0.632 5.102 4.470 -0.000 0.000 0.284 162 S C -0.513 173.819 174.600 -0.447 0.000 1.171 162 S CA -0.508 57.298 58.200 -0.656 0.000 1.064 162 S CB 0.574 63.034 63.200 -1.233 0.000 0.967 162 S HN 0.404 nan 8.310 nan 0.000 0.484 163 L N 3.696 124.836 121.223 -0.137 0.000 2.365 163 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 163 L C 0.064 177.139 176.870 0.342 0.000 1.000 163 L CA -0.618 54.249 54.840 0.046 0.000 0.819 163 L CB 1.587 43.641 42.059 -0.008 0.000 1.284 163 L HN 0.514 nan 8.230 nan 0.000 0.418 164 N N 1.008 119.867 118.700 0.264 0.000 2.493 164 N HA 0.387 5.127 4.740 -0.000 0.000 0.275 164 N C 0.085 175.667 175.510 0.120 0.000 1.186 164 N CA -0.355 52.842 53.050 0.246 0.000 0.978 164 N CB 1.549 40.137 38.487 0.168 0.000 1.184 164 N HN 0.710 nan 8.380 nan 0.000 0.487 165 A N 0.189 123.055 122.820 0.076 0.000 2.565 165 A HA 0.371 4.691 4.320 -0.000 0.000 0.237 165 A C 1.399 179.003 177.584 0.033 0.000 1.053 165 A CA 0.769 52.833 52.037 0.045 0.000 0.755 165 A CB -0.810 18.203 19.000 0.021 0.000 0.980 165 A HN 0.952 nan 8.150 nan 0.000 0.506 166 G N 0.735 109.549 108.800 0.024 0.000 2.189 166 G HA2 0.071 4.031 3.960 -0.000 0.000 0.267 166 G HA3 0.071 4.031 3.960 -0.000 0.000 0.267 166 G C 0.704 175.609 174.900 0.008 0.000 0.975 166 G CA 0.938 46.047 45.100 0.014 0.000 0.644 166 G HN 2.207 nan 8.290 nan 0.000 0.537 167 A N -0.199 122.626 122.820 0.009 0.000 2.296 167 A HA 0.932 5.252 4.320 -0.000 0.000 0.264 167 A C 0.682 178.237 177.584 -0.049 0.000 1.097 167 A CA 0.934 52.966 52.037 -0.009 0.000 0.811 167 A CB 0.466 19.468 19.000 0.003 0.000 1.072 167 A HN 1.822 nan 8.150 nan 0.000 0.495 168 R N -1.368 119.087 120.500 -0.075 0.000 2.728 168 R HA 0.690 5.030 4.340 -0.000 0.000 0.274 168 R C -0.451 175.743 176.300 -0.176 0.000 1.032 168 R CA -0.345 55.653 56.100 -0.170 0.000 0.866 168 R CB 0.641 30.883 30.300 -0.097 0.000 1.263 168 R HN 2.114 nan 8.270 nan 0.000 0.475 169 G N 0.571 109.133 108.800 -0.398 0.000 2.340 169 G HA2 0.257 4.217 3.960 -0.000 0.000 0.300 169 G HA3 0.257 4.217 3.960 -0.000 0.000 0.300 169 G C -2.034 172.759 174.900 -0.179 0.000 1.488 169 G CA -0.892 44.110 45.100 -0.165 0.000 0.878 169 G HN 0.515 nan 8.290 nan 0.000 0.618 170 D N -0.297 120.147 120.400 0.074 0.000 2.302 170 D HA 0.448 5.088 4.640 -0.000 0.000 0.248 170 D C 1.040 177.327 176.300 -0.022 0.000 1.094 170 D CA -0.199 53.842 54.000 0.069 0.000 0.897 170 D CB 2.191 43.051 40.800 0.099 0.000 1.200 170 D HN 0.132 nan 8.370 nan 0.000 0.429 171 V N 1.949 121.839 119.914 -0.040 0.000 3.359 171 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 171 V C 2.334 178.493 176.094 0.108 0.000 1.247 171 V CA 0.061 62.347 62.300 -0.023 0.000 1.145 171 V CB -0.167 31.612 31.823 -0.073 0.000 0.906 171 V HN 0.532 nan 8.190 nan 0.000 0.464 172 Q N 2.351 122.244 119.800 0.155 0.000 2.208 172 Q HA -0.400 3.940 4.340 -0.000 0.000 0.219 172 Q C 1.890 178.169 176.000 0.465 0.000 1.027 172 Q CA 2.825 58.874 55.803 0.410 0.000 0.925 172 Q CB -1.203 27.771 28.738 0.394 0.000 1.006 172 Q HN 0.809 nan 8.270 nan 0.000 0.415 173 Q N 0.596 120.539 119.800 0.239 0.000 2.308 173 Q HA -0.156 4.184 4.340 -0.000 0.000 0.209 173 Q C 2.000 178.084 176.000 0.141 0.000 0.985 173 Q CA 1.625 57.530 55.803 0.170 0.000 0.881 173 Q CB -0.703 28.089 28.738 0.090 0.000 0.917 173 Q HN 0.562 nan 8.270 nan 0.000 0.443 174 I N 0.130 120.749 120.570 0.081 0.000 2.394 174 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 174 I C 1.546 177.675 176.117 0.019 0.000 1.136 174 I CA 0.937 62.185 61.300 -0.086 0.000 1.425 174 I CB -0.150 37.634 38.000 -0.360 0.000 1.079 174 I HN -0.008 nan 8.210 nan 0.000 0.425 175 F N 0.391 120.476 119.950 0.226 0.000 2.149 175 F HA 0.060 4.587 4.527 -0.000 0.000 0.294 175 F C 1.579 177.500 175.800 0.201 0.000 1.095 175 F CA 0.381 58.505 58.000 0.205 0.000 1.276 175 F CB -1.008 38.067 39.000 0.125 0.000 1.023 175 F HN -0.039 nan 8.300 nan 0.000 0.480 176 Q N -0.066 119.951 119.800 0.362 0.000 2.428 176 Q HA 0.284 4.624 4.340 -0.000 0.000 0.276 176 Q C 1.345 177.451 176.000 0.177 0.000 1.059 176 Q CA 0.998 56.931 55.803 0.216 0.000 0.923 176 Q CB 0.168 29.001 28.738 0.158 0.000 1.283 176 Q HN 0.523 nan 8.270 nan 0.000 0.447 177 G N 1.044 109.918 108.800 0.123 0.000 2.317 177 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.227 177 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.227 177 G C -0.183 174.769 174.900 0.086 0.000 1.042 177 G CA -0.024 45.130 45.100 0.091 0.000 0.623 177 G HN 0.544 nan 8.290 nan 0.000 0.509 178 R N 1.288 121.868 120.500 0.134 0.000 2.349 178 R HA 0.595 4.935 4.340 -0.000 0.000 0.299 178 R C 0.969 177.255 176.300 -0.024 0.000 1.027 178 R CA 0.016 56.161 56.100 0.075 0.000 0.958 178 R CB 0.458 30.851 30.300 0.154 0.000 1.047 178 R HN 0.611 nan 8.270 nan 0.000 0.468 179 N N 0.805 119.456 118.700 -0.081 0.000 1.175 179 N HA -0.353 4.387 4.740 -0.000 0.000 0.114 179 N C -0.500 174.988 175.510 -0.036 0.000 0.804 179 N CA 1.786 54.782 53.050 -0.090 0.000 0.858 179 N CB -0.509 37.865 38.487 -0.188 0.000 1.032 179 N HN 0.853 nan 8.380 nan 0.000 0.617 180 D N -0.315 120.075 120.400 -0.016 0.000 3.595 180 D HA 0.242 4.882 4.640 -0.000 0.000 0.253 180 D C -2.875 173.438 176.300 0.021 0.000 1.395 180 D CA -0.818 53.177 54.000 -0.008 0.000 0.820 180 D CB 0.349 41.127 40.800 -0.037 0.000 1.431 180 D HN 0.342 nan 8.370 nan 0.000 0.690 181 P HA 0.169 nan 4.420 nan 0.000 0.273 181 P C 0.382 177.702 177.300 0.034 0.000 1.250 181 P CA -0.340 62.849 63.100 0.148 0.000 0.793 181 P CB 1.203 33.084 31.700 0.301 0.000 1.011 182 M N -1.036 118.590 119.600 0.043 0.000 2.470 182 M HA 0.238 4.718 4.480 -0.000 0.000 0.262 182 M C 0.298 176.574 176.300 -0.041 0.000 1.211 182 M CA 0.567 55.861 55.300 -0.011 0.000 1.125 182 M CB 0.402 33.013 32.600 0.018 0.000 1.480 182 M HN 0.260 nan 8.290 nan 0.000 0.541 183 M N 0.880 120.489 119.600 0.015 0.000 2.274 183 M HA 0.475 4.955 4.480 -0.000 0.000 0.272 183 M C -2.140 174.147 176.300 -0.022 0.000 1.053 183 M CA -0.144 55.106 55.300 -0.083 0.000 0.978 183 M CB 1.902 34.501 32.600 -0.002 0.000 1.836 183 M HN 0.011 nan 8.290 nan 0.000 0.484 184 I N 4.615 125.056 120.570 -0.214 0.000 2.378 184 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 184 I C -1.266 174.659 176.117 -0.319 0.000 0.992 184 I CA -0.789 60.468 61.300 -0.072 0.000 1.154 184 I CB 1.358 39.301 38.000 -0.094 0.000 1.315 184 I HN 0.575 nan 8.210 nan 0.000 0.448 185 Y N 6.445 126.640 120.300 -0.175 0.000 2.404 185 Y HA 0.418 4.968 4.550 -0.000 0.000 0.344 185 Y C -0.200 175.609 175.900 -0.152 0.000 0.970 185 Y CA -0.657 57.269 58.100 -0.290 0.000 1.180 185 Y CB 0.648 38.612 38.460 -0.828 0.000 1.138 185 Y HN 0.293 nan 8.280 nan 0.000 0.510 186 L N 3.216 124.438 121.223 -0.002 0.000 2.331 186 L HA 0.718 5.058 4.340 -0.000 0.000 0.268 186 L C -0.494 176.427 176.870 0.085 0.000 1.015 186 L CA -1.326 53.541 54.840 0.046 0.000 0.807 186 L CB 1.764 43.820 42.059 -0.004 0.000 1.293 186 L HN 0.336 nan 8.230 nan 0.000 0.451 187 V N 2.348 122.335 119.914 0.122 0.000 2.766 187 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 187 V C -1.657 174.530 176.094 0.154 0.000 1.237 187 V CA -0.578 61.788 62.300 0.109 0.000 0.934 187 V CB 1.342 33.201 31.823 0.061 0.000 1.068 187 V HN 0.788 nan 8.190 nan 0.000 0.451 188 W N 6.552 127.843 121.300 -0.014 0.000 2.516 188 W HA 0.882 5.542 4.660 -0.000 0.000 0.343 188 W C -1.038 175.473 176.519 -0.013 0.000 1.094 188 W CA -0.928 56.405 57.345 -0.020 0.000 1.250 188 W CB 1.318 30.749 29.460 -0.049 0.000 1.308 188 W HN 0.594 nan 8.180 nan 0.000 0.588 189 R N 1.411 121.951 120.500 0.066 0.000 2.836 189 R HA 0.531 4.871 4.340 -0.000 0.000 0.269 189 R C -0.653 175.699 176.300 0.086 0.000 1.010 189 R CA -1.338 54.690 56.100 -0.119 0.000 0.930 189 R CB 2.678 32.938 30.300 -0.067 0.000 1.218 189 R HN 0.437 nan 8.270 nan 0.000 0.473 190 R N 0.985 121.495 120.500 0.016 0.000 2.368 190 R HA 0.392 4.732 4.340 -0.000 0.000 0.302 190 R C -0.177 176.165 176.300 0.070 0.000 1.002 190 R CA -0.478 55.683 56.100 0.101 0.000 0.929 190 R CB 1.012 31.369 30.300 0.094 0.000 1.073 190 R HN 0.446 nan 8.270 nan 0.000 0.464 191 I N 3.332 123.943 120.570 0.069 0.000 2.243 191 I HA -0.005 4.165 4.170 -0.000 0.000 0.297 191 I C 1.212 177.454 176.117 0.209 0.000 1.161 191 I CA 0.000 61.358 61.300 0.097 0.000 1.298 191 I CB 0.625 38.644 38.000 0.032 0.000 1.475 191 I HN 0.631 nan 8.210 nan 0.000 0.561 192 E N 3.863 124.160 120.200 0.161 0.000 2.187 192 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 192 E C 0.497 177.215 176.600 0.197 0.000 1.004 192 E CA 1.376 57.873 56.400 0.161 0.000 0.813 192 E CB 0.117 29.870 29.700 0.089 0.000 0.736 192 E HN 0.614 nan 8.360 nan 0.000 0.468 193 N N -0.724 118.106 118.700 0.217 0.000 2.519 193 N HA 0.205 4.945 4.740 -0.000 0.000 0.286 193 N C -1.500 174.162 175.510 0.253 0.000 1.079 193 N CA -0.396 52.744 53.050 0.150 0.000 0.878 193 N CB 0.595 39.124 38.487 0.069 0.000 1.375 193 N HN -0.044 nan 8.380 nan 0.000 0.514 194 F N 1.313 121.302 119.950 0.065 0.000 2.629 194 F HA 0.833 5.360 4.527 -0.000 0.000 0.316 194 F C -0.593 175.260 175.800 0.089 0.000 1.081 194 F CA -1.253 56.800 58.000 0.089 0.000 0.954 194 F CB 0.606 39.684 39.000 0.130 0.000 1.337 194 F HN 0.285 nan 8.300 nan 0.000 0.474 195 A N 3.389 126.359 122.820 0.250 0.000 2.354 195 A HA 0.636 4.956 4.320 -0.000 0.000 0.269 195 A C -0.176 177.539 177.584 0.219 0.000 1.109 195 A CA -0.529 51.594 52.037 0.142 0.000 0.800 195 A CB 0.274 19.371 19.000 0.162 0.000 1.045 195 A HN 0.739 nan 8.150 nan 0.000 0.489 196 M N 1.486 121.121 119.600 0.059 0.000 2.471 196 M HA 0.380 4.860 4.480 -0.000 0.000 0.309 196 M C 1.623 177.994 176.300 0.117 0.000 1.186 196 M CA -0.244 55.086 55.300 0.050 0.000 1.008 196 M CB 1.163 33.676 32.600 -0.145 0.000 1.551 196 M HN 0.892 nan 8.290 nan 0.000 0.477 197 A N 0.888 123.788 122.820 0.134 0.000 2.009 197 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 197 A C 1.700 179.337 177.584 0.089 0.000 1.175 197 A CA 1.812 53.946 52.037 0.162 0.000 0.651 197 A CB -0.362 18.719 19.000 0.136 0.000 0.815 197 A HN 0.803 nan 8.150 nan 0.000 0.459 198 Q N -2.930 116.890 119.800 0.033 0.000 2.339 198 Q HA 0.207 4.547 4.340 -0.000 0.000 0.205 198 Q C 1.460 177.471 176.000 0.018 0.000 0.925 198 Q CA 1.144 56.958 55.803 0.017 0.000 0.898 198 Q CB 0.579 29.309 28.738 -0.012 0.000 1.013 198 Q HN 1.024 nan 8.270 nan 0.000 0.504 199 G N 1.527 110.337 108.800 0.017 0.000 2.260 199 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.179 199 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.179 199 G C -0.107 174.783 174.900 -0.015 0.000 1.002 199 G CA -0.094 45.015 45.100 0.016 0.000 0.677 199 G HN 0.488 nan 8.290 nan 0.000 0.486 200 N N 0.786 119.458 118.700 -0.046 0.000 2.530 200 N HA 0.506 5.246 4.740 -0.000 0.000 0.273 200 N C 0.172 175.606 175.510 -0.126 0.000 1.173 200 N CA 0.197 53.200 53.050 -0.079 0.000 0.967 200 N CB 1.204 39.635 38.487 -0.094 0.000 1.109 200 N HN 0.056 nan 8.380 nan 0.000 0.453 201 S N 0.622 116.247 115.700 -0.124 0.000 2.510 201 S HA 0.041 4.511 4.470 -0.000 0.000 0.279 201 S C -0.111 174.324 174.600 -0.274 0.000 1.284 201 S CA -0.383 57.715 58.200 -0.170 0.000 1.059 201 S CB 0.541 63.680 63.200 -0.103 0.000 0.901 201 S HN 0.673 nan 8.310 nan 0.000 0.491 202 Q N 1.841 121.338 119.800 -0.505 0.000 2.365 202 Q HA 0.491 4.831 4.340 -0.000 0.000 0.269 202 Q C -1.103 174.544 176.000 -0.590 0.000 1.061 202 Q CA -0.596 54.815 55.803 -0.653 0.000 0.816 202 Q CB 1.331 29.441 28.738 -1.046 0.000 1.325 202 Q HN 0.549 nan 8.270 nan 0.000 0.446 203 Q N 0.305 119.964 119.800 -0.235 0.000 2.214 203 Q HA 0.593 4.933 4.340 -0.000 0.000 0.251 203 Q C -1.040 175.088 176.000 0.214 0.000 0.936 203 Q CA -0.142 55.664 55.803 0.005 0.000 0.894 203 Q CB 1.954 30.697 28.738 0.007 0.000 1.252 203 Q HN 0.622 nan 8.270 nan 0.000 0.448 204 T N 3.175 117.904 114.554 0.293 0.000 2.821 204 T HA 0.267 4.617 4.350 -0.000 0.000 0.307 204 T C -0.825 173.969 174.700 0.157 0.000 1.034 204 T CA -0.762 61.509 62.100 0.285 0.000 0.953 204 T CB 0.636 69.665 68.868 0.267 0.000 0.968 204 T HN 0.312 nan 8.240 nan 0.000 0.462 205 Q N 1.906 121.779 119.800 0.122 0.000 2.364 205 Q HA 0.397 4.737 4.340 -0.000 0.000 0.267 205 Q C 0.261 176.310 176.000 0.081 0.000 0.999 205 Q CA -0.261 55.591 55.803 0.083 0.000 0.886 205 Q CB 0.624 29.399 28.738 0.062 0.000 1.243 205 Q HN 0.820 nan 8.270 nan 0.000 0.415 206 A N 1.051 123.911 122.820 0.065 0.000 2.524 206 A HA 0.455 4.775 4.320 -0.000 0.000 0.250 206 A C 1.090 178.714 177.584 0.066 0.000 1.078 206 A CA 0.842 52.918 52.037 0.064 0.000 0.761 206 A CB -0.226 18.800 19.000 0.044 0.000 1.012 206 A HN 0.901 nan 8.150 nan 0.000 0.500 207 G N 1.317 110.168 108.800 0.085 0.000 2.935 207 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.213 207 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.213 207 G C 0.095 175.046 174.900 0.085 0.000 0.984 207 G CA -0.041 45.104 45.100 0.076 0.000 0.790 207 G HN 1.130 nan 8.290 nan 0.000 0.538 208 V N 2.430 122.411 119.914 0.111 0.000 2.843 208 V HA 0.542 4.662 4.120 -0.000 0.000 0.305 208 V C 0.886 177.040 176.094 0.100 0.000 1.065 208 V CA 1.014 63.364 62.300 0.085 0.000 1.116 208 V CB 1.142 33.031 31.823 0.110 0.000 0.968 208 V HN 0.872 nan 8.190 nan 0.000 0.487 209 T N 1.063 115.580 114.554 -0.062 0.000 2.916 209 T HA 0.724 5.074 4.350 -0.000 0.000 0.298 209 T C -1.048 173.395 174.700 -0.427 0.000 1.031 209 T CA -0.704 61.310 62.100 -0.143 0.000 0.993 209 T CB 1.652 70.497 68.868 -0.039 0.000 1.045 209 T HN 0.339 nan 8.240 nan 0.000 0.454 210 V N 3.068 122.567 119.914 -0.691 0.000 2.495 210 V HA 0.805 4.925 4.120 -0.000 0.000 0.298 210 V C -0.004 175.843 176.094 -0.412 0.000 1.031 210 V CA -0.734 61.095 62.300 -0.785 0.000 0.871 210 V CB 1.697 32.602 31.823 -1.531 0.000 0.988 210 V HN 1.234 nan 8.190 nan 0.000 0.432 211 S N 3.516 119.048 115.700 -0.281 0.000 2.538 211 S HA 0.799 5.269 4.470 -0.000 0.000 0.288 211 S C -1.029 173.467 174.600 -0.174 0.000 1.108 211 S CA -0.754 57.352 58.200 -0.157 0.000 0.971 211 S CB 1.809 64.968 63.200 -0.067 0.000 1.041 211 S HN 0.390 nan 8.310 nan 0.000 0.483 212 V N 2.425 122.242 119.914 -0.160 0.000 2.394 212 V HA 0.680 4.800 4.120 -0.000 0.000 0.282 212 V C 1.340 177.387 176.094 -0.078 0.000 1.031 212 V CA 0.143 62.335 62.300 -0.180 0.000 0.881 212 V CB 0.487 32.196 31.823 -0.191 0.000 0.982 212 V HN 1.580 nan 8.190 nan 0.000 0.451 213 G N 3.588 112.358 108.800 -0.050 0.000 2.361 213 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.294 213 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.294 213 G C 1.223 176.102 174.900 -0.034 0.000 1.004 213 G CA 1.110 46.200 45.100 -0.017 0.000 0.870 213 G HN 2.180 nan 8.290 nan 0.000 0.510 214 G N -2.669 106.098 108.800 -0.054 0.000 2.358 214 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.224 214 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.224 214 G C 0.901 175.779 174.900 -0.037 0.000 1.073 214 G CA 0.821 45.890 45.100 -0.053 0.000 0.635 214 G HN 1.939 nan 8.290 nan 0.000 0.509 215 V N 2.154 122.050 119.914 -0.029 0.000 2.555 215 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 215 V C 0.283 176.364 176.094 -0.022 0.000 1.044 215 V CA 0.305 62.595 62.300 -0.017 0.000 1.026 215 V CB 1.310 33.130 31.823 -0.006 0.000 0.981 215 V HN 0.413 nan 8.190 nan 0.000 0.480 216 D N 6.212 126.609 120.400 -0.005 0.000 2.351 216 D HA 0.339 4.979 4.640 -0.000 0.000 0.251 216 D C -0.250 176.076 176.300 0.043 0.000 1.137 216 D CA -0.172 53.831 54.000 0.005 0.000 0.879 216 D CB 0.576 41.389 40.800 0.022 0.000 1.181 216 D HN 0.414 nan 8.370 nan 0.000 0.448 217 M N 2.605 122.248 119.600 0.072 0.000 2.508 217 M HA 0.405 4.885 4.480 -0.000 0.000 0.327 217 M C 0.261 176.796 176.300 0.391 0.000 1.160 217 M CA -0.583 54.824 55.300 0.178 0.000 0.980 217 M CB 1.695 34.390 32.600 0.159 0.000 1.693 217 M HN 0.313 nan 8.290 nan 0.000 0.452 218 R N 0.568 121.231 120.500 0.271 0.000 2.615 218 R HA 0.670 5.010 4.340 -0.000 0.000 0.270 218 R C 0.009 176.277 176.300 -0.054 0.000 1.081 218 R CA -0.391 55.807 56.100 0.163 0.000 1.154 218 R CB 0.728 31.046 30.300 0.030 0.000 1.063 218 R HN 0.842 nan 8.270 nan 0.000 0.519 219 A N 0.216 122.680 122.820 -0.593 0.000 2.302 219 A HA 0.492 4.812 4.320 -0.000 0.000 0.285 219 A C 0.966 178.194 177.584 -0.594 0.000 1.105 219 A CA 0.258 51.493 52.037 -1.336 0.000 0.816 219 A CB 0.543 18.586 19.000 -1.594 0.000 1.067 219 A HN 0.853 nan 8.150 nan 0.000 0.489 220 G N 0.162 108.671 108.800 -0.486 0.000 2.168 220 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.263 220 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.263 220 G C 0.263 175.091 174.900 -0.121 0.000 0.977 220 G CA 0.939 45.903 45.100 -0.227 0.000 0.659 220 G HN 0.859 nan 8.290 nan 0.000 0.533 221 R N -0.616 119.821 120.500 -0.105 0.000 2.778 221 R HA 0.763 5.103 4.340 -0.000 0.000 0.277 221 R C 0.606 176.925 176.300 0.032 0.000 0.977 221 R CA -0.909 55.181 56.100 -0.016 0.000 0.950 221 R CB 0.812 31.113 30.300 0.001 0.000 1.165 221 R HN 0.227 nan 8.270 nan 0.000 0.474 222 I N 3.465 124.072 120.570 0.062 0.000 2.441 222 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 222 I C -0.266 175.908 176.117 0.094 0.000 1.049 222 I CA -0.179 61.177 61.300 0.093 0.000 1.381 222 I CB 0.616 38.694 38.000 0.130 0.000 1.409 222 I HN 0.327 nan 8.210 nan 0.000 0.523 223 I N 5.400 126.013 120.570 0.071 0.000 2.465 223 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 223 I C 0.222 176.292 176.117 -0.079 0.000 1.014 223 I CA -0.342 60.973 61.300 0.025 0.000 1.093 223 I CB 1.915 39.927 38.000 0.020 0.000 1.267 223 I HN 0.567 nan 8.210 nan 0.000 0.431 224 A N 5.852 128.607 122.820 -0.109 0.000 2.527 224 A HA 0.302 4.622 4.320 -0.000 0.000 0.313 224 A C -1.096 176.394 177.584 -0.157 0.000 1.410 224 A CA -0.229 51.610 52.037 -0.331 0.000 1.060 224 A CB -0.407 18.496 19.000 -0.161 0.000 1.137 224 A HN 0.671 nan 8.150 nan 0.000 0.542 225 W N 3.963 125.007 121.300 -0.427 0.000 2.390 225 W HA 0.377 5.037 4.660 -0.000 0.000 0.312 225 W C 0.376 176.732 176.519 -0.273 0.000 1.123 225 W CA -1.177 55.982 57.345 -0.310 0.000 1.202 225 W CB 1.126 30.382 29.460 -0.340 0.000 1.251 225 W HN 0.770 nan 8.180 nan 0.000 0.511 226 D N 2.751 122.892 120.400 -0.432 0.000 2.349 226 D HA 0.046 4.686 4.640 -0.000 0.000 0.224 226 D C 1.548 177.340 176.300 -0.847 0.000 1.029 226 D CA 0.719 54.425 54.000 -0.489 0.000 0.879 226 D CB -0.152 40.511 40.800 -0.228 0.000 0.906 226 D HN 0.787 nan 8.370 nan 0.000 0.528 227 G N 0.897 108.518 108.800 -1.964 0.000 2.245 227 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 227 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 227 G C 1.171 175.518 174.900 -0.922 0.000 0.985 227 G CA 0.532 44.433 45.100 -1.998 0.000 0.625 227 G HN 0.384 nan 8.290 nan 0.000 0.536 228 Q N -0.377 119.144 119.800 -0.465 0.000 2.353 228 Q HA 0.531 4.871 4.340 -0.000 0.000 0.240 228 Q C 1.580 177.662 176.000 0.137 0.000 0.868 228 Q CA 0.842 56.595 55.803 -0.083 0.000 0.944 228 Q CB 0.329 29.013 28.738 -0.090 0.000 1.104 228 Q HN 0.984 nan 8.270 nan 0.000 0.531 229 A N 1.329 124.333 122.820 0.306 0.000 2.366 229 A HA 0.538 4.858 4.320 -0.000 0.000 0.249 229 A C 0.056 177.827 177.584 0.311 0.000 1.084 229 A CA 0.205 52.432 52.037 0.317 0.000 0.794 229 A CB 0.164 19.348 19.000 0.307 0.000 1.034 229 A HN 0.227 nan 8.150 nan 0.000 0.491 230 A N 0.741 123.624 122.820 0.105 0.000 2.484 230 A HA 0.429 4.749 4.320 -0.000 0.000 0.268 230 A C -0.112 177.408 177.584 -0.107 0.000 1.114 230 A CA -0.148 51.903 52.037 0.022 0.000 0.780 230 A CB -0.436 18.555 19.000 -0.015 0.000 1.061 230 A HN 1.133 nan 8.150 nan 0.000 0.505 231 L N 4.221 125.330 121.223 -0.189 0.000 2.352 231 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 231 L C -0.211 176.544 176.870 -0.192 0.000 1.109 231 L CA -0.026 54.581 54.840 -0.389 0.000 0.952 231 L CB -0.394 41.278 42.059 -0.646 0.000 1.314 231 L HN 0.744 nan 8.230 nan 0.000 0.427 232 H N 2.294 121.206 119.070 -0.263 0.000 2.488 232 H HA 0.651 5.207 4.556 -0.000 0.000 0.322 232 H C -0.994 174.178 175.328 -0.260 0.000 1.078 232 H CA -0.424 55.497 56.048 -0.212 0.000 1.260 232 H CB 1.124 30.793 29.762 -0.155 0.000 1.425 232 H HN 0.291 nan 8.280 nan 0.000 0.471 233 V N 6.067 125.604 119.914 -0.628 0.000 2.513 233 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 233 V C 0.023 175.796 176.094 -0.536 0.000 1.035 233 V CA -0.901 61.083 62.300 -0.526 0.000 0.889 233 V CB 1.698 33.269 31.823 -0.420 0.000 0.988 233 V HN 0.758 nan 8.190 nan 0.000 0.440 234 R N 2.336 122.632 120.500 -0.339 0.000 2.621 234 R HA 0.474 4.814 4.340 -0.000 0.000 0.292 234 R C -0.832 175.394 176.300 -0.123 0.000 0.969 234 R CA -0.720 55.256 56.100 -0.207 0.000 0.887 234 R CB 1.761 31.998 30.300 -0.106 0.000 1.180 234 R HN 0.683 nan 8.270 nan 0.000 0.450 235 N N 3.402 122.057 118.700 -0.076 0.000 2.904 235 N HA 0.190 4.930 4.740 -0.000 0.000 0.257 235 N C -2.037 173.472 175.510 -0.002 0.000 1.363 235 N CA -2.218 50.817 53.050 -0.025 0.000 0.856 235 N CB 1.057 39.541 38.487 -0.005 0.000 1.166 235 N HN 0.332 nan 8.380 nan 0.000 0.499 236 P HA -0.014 nan 4.420 nan 0.000 0.237 236 P C 0.510 177.822 177.300 0.019 0.000 1.178 236 P CA 0.331 63.438 63.100 0.011 0.000 0.766 236 P CB 0.293 32.001 31.700 0.012 0.000 0.876 237 T N 1.084 115.654 114.554 0.027 0.000 2.860 237 T HA 0.057 4.407 4.350 -0.000 0.000 0.299 237 T C 1.053 175.770 174.700 0.029 0.000 1.045 237 T CA -0.045 62.075 62.100 0.033 0.000 1.071 237 T CB 0.267 69.164 68.868 0.048 0.000 0.985 237 T HN -0.037 nan 8.240 nan 0.000 0.537 238 Q N 2.597 122.411 119.800 0.023 0.000 2.239 238 Q HA 0.261 4.601 4.340 -0.000 0.000 0.219 238 Q C 0.075 176.082 176.000 0.011 0.000 0.901 238 Q CA 0.369 56.181 55.803 0.014 0.000 0.949 238 Q CB 0.173 28.916 28.738 0.007 0.000 1.038 238 Q HN 0.604 nan 8.270 nan 0.000 0.458 239 Q N -0.400 119.416 119.800 0.026 0.000 2.626 239 Q HA 0.330 4.670 4.340 -0.000 0.000 0.300 239 Q C -0.899 175.137 176.000 0.060 0.000 0.988 239 Q CA -0.834 54.983 55.803 0.024 0.000 0.761 239 Q CB 1.491 30.249 28.738 0.033 0.000 1.494 239 Q HN 0.181 nan 8.270 nan 0.000 0.439 240 N N -0.236 118.497 118.700 0.054 0.000 2.444 240 N HA 0.497 5.237 4.740 -0.000 0.000 0.255 240 N C -1.104 174.592 175.510 0.309 0.000 1.255 240 N CA 0.094 53.226 53.050 0.137 0.000 0.933 240 N CB 0.774 39.183 38.487 -0.130 0.000 1.143 240 N HN 0.527 nan 8.380 nan 0.000 0.453 241 A N 1.164 124.174 122.820 0.317 0.000 2.520 241 A HA 0.632 4.952 4.320 -0.000 0.000 0.298 241 A C -1.163 176.376 177.584 -0.074 0.000 1.051 241 A CA -0.608 51.514 52.037 0.142 0.000 0.690 241 A CB 1.088 20.150 19.000 0.103 0.000 1.281 241 A HN 0.547 nan 8.150 nan 0.000 0.402 242 M N 2.465 121.845 119.600 -0.368 0.000 2.326 242 M HA 0.536 5.016 4.480 -0.000 0.000 0.306 242 M C -0.858 175.324 176.300 -0.196 0.000 1.054 242 M CA -0.881 54.167 55.300 -0.420 0.000 0.922 242 M CB 2.146 34.257 32.600 -0.814 0.000 1.632 242 M HN 0.696 nan 8.290 nan 0.000 0.436 243 V N 1.355 121.199 119.914 -0.117 0.000 2.680 243 V HA 0.662 4.782 4.120 -0.000 0.000 0.309 243 V C -0.906 175.188 176.094 0.000 0.000 1.052 243 V CA -0.830 61.479 62.300 0.014 0.000 0.908 243 V CB 1.622 33.495 31.823 0.083 0.000 1.001 243 V HN 0.953 nan 8.190 nan 0.000 0.431 244 Q N 3.662 123.502 119.800 0.067 0.000 2.325 244 Q HA 0.758 5.098 4.340 -0.000 0.000 0.262 244 Q C -1.305 174.770 176.000 0.124 0.000 0.968 244 Q CA -0.625 55.209 55.803 0.050 0.000 0.877 244 Q CB 2.095 30.858 28.738 0.041 0.000 1.253 244 Q HN 0.803 nan 8.270 nan 0.000 0.448 245 I N 2.915 123.546 120.570 0.103 0.000 2.354 245 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 245 I C -0.363 175.862 176.117 0.180 0.000 0.989 245 I CA -0.675 60.726 61.300 0.169 0.000 1.188 245 I CB 1.851 39.944 38.000 0.154 0.000 1.342 245 I HN 0.704 nan 8.210 nan 0.000 0.457 246 Q N 5.723 125.634 119.800 0.184 0.000 2.316 246 Q HA 0.411 4.751 4.340 -0.000 0.000 0.264 246 Q C -1.383 174.738 176.000 0.201 0.000 0.987 246 Q CA -0.691 55.226 55.803 0.190 0.000 0.852 246 Q CB 2.385 31.212 28.738 0.148 0.000 1.287 246 Q HN 0.477 nan 8.270 nan 0.000 0.448 247 V N 5.893 125.953 119.914 0.244 0.000 2.313 247 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 247 V C 1.140 177.368 176.094 0.224 0.000 1.112 247 V CA 0.132 62.556 62.300 0.207 0.000 0.984 247 V CB 0.590 32.520 31.823 0.179 0.000 1.157 247 V HN 0.817 nan 8.190 nan 0.000 0.493 248 V N 6.857 126.877 119.914 0.177 0.000 2.343 248 V HA -0.027 4.093 4.120 -0.000 0.000 0.247 248 V C 0.459 176.774 176.094 0.369 0.000 1.051 248 V CA 2.241 64.673 62.300 0.221 0.000 1.036 248 V CB -0.169 31.758 31.823 0.173 0.000 0.654 248 V HN 0.865 nan 8.190 nan 0.000 0.451 249 F N -1.723 118.409 119.950 0.304 0.000 2.769 249 F HA 0.587 5.114 4.527 -0.000 0.000 0.313 249 F C -1.351 174.765 175.800 0.527 0.000 1.146 249 F CA -1.684 56.526 58.000 0.350 0.000 0.934 249 F CB 0.378 39.472 39.000 0.156 0.000 1.283 249 F HN 0.145 nan 8.300 nan 0.000 0.443 250 Y N 1.911 122.525 120.300 0.523 0.000 2.638 250 Y HA 0.889 5.439 4.550 -0.000 0.000 0.339 250 Y C -1.160 174.980 175.900 0.399 0.000 1.084 250 Y CA -2.811 55.553 58.100 0.440 0.000 1.068 250 Y CB 1.321 39.993 38.460 0.355 0.000 1.294 250 Y HN 0.913 nan 8.280 nan 0.000 0.480 251 I N 1.040 121.760 120.570 0.250 0.000 2.545 251 I HA 0.924 5.094 4.170 -0.000 0.000 0.292 251 I C -0.679 175.442 176.117 0.007 0.000 1.040 251 I CA -0.759 60.566 61.300 0.042 0.000 1.068 251 I CB 2.277 40.380 38.000 0.172 0.000 1.251 251 I HN 0.835 nan 8.210 nan 0.000 0.424 252 S N 4.578 120.224 115.700 -0.090 0.000 2.732 252 S HA 0.572 5.042 4.470 -0.000 0.000 0.293 252 S C -0.132 174.455 174.600 -0.021 0.000 1.159 252 S CA -0.971 57.206 58.200 -0.038 0.000 0.847 252 S CB 2.050 65.217 63.200 -0.055 0.000 1.169 252 S HN 0.802 nan 8.310 nan 0.000 0.501 253 M N 1.570 121.165 119.600 -0.008 0.000 2.719 253 M HA 0.271 4.751 4.480 -0.000 0.000 0.247 253 M C -0.824 175.525 176.300 0.081 0.000 1.287 253 M CA -0.040 55.281 55.300 0.035 0.000 1.004 253 M CB -0.469 32.125 32.600 -0.009 0.000 1.514 253 M HN 0.548 nan 8.290 nan 0.000 0.462 254 D N 0.998 121.419 120.400 0.036 0.000 2.294 254 D HA 0.232 4.872 4.640 -0.000 0.000 0.250 254 D C -0.066 176.268 176.300 0.056 0.000 1.058 254 D CA -0.188 53.842 54.000 0.051 0.000 0.950 254 D CB 1.220 42.019 40.800 -0.001 0.000 1.158 254 D HN -0.084 nan 8.370 nan 0.000 0.453 255 K N 1.173 121.615 120.400 0.071 0.000 2.297 255 K HA 0.243 4.563 4.320 -0.000 0.000 0.286 255 K C 0.407 177.028 176.600 0.034 0.000 1.053 255 K CA -0.275 56.045 56.287 0.055 0.000 0.940 255 K CB 0.930 33.466 32.500 0.060 0.000 1.019 255 K HN 0.524 nan 8.250 nan 0.000 0.475 256 T N -1.155 113.405 114.554 0.010 0.000 2.922 256 T HA 0.313 4.663 4.350 -0.000 0.000 0.281 256 T C 1.171 175.877 174.700 0.009 0.000 1.005 256 T CA -0.821 61.272 62.100 -0.013 0.000 0.982 256 T CB 0.634 69.466 68.868 -0.060 0.000 1.158 256 T HN 0.208 nan 8.240 nan 0.000 0.566 257 L N 0.671 121.893 121.223 -0.001 0.000 2.551 257 L HA 0.222 4.562 4.340 -0.000 0.000 0.228 257 L C 1.483 178.372 176.870 0.031 0.000 1.153 257 L CA 1.109 55.964 54.840 0.025 0.000 0.851 257 L CB -1.160 40.908 42.059 0.015 0.000 0.959 257 L HN 0.648 nan 8.230 nan 0.000 0.451 258 N N -1.358 117.345 118.700 0.005 0.000 2.276 258 N HA -0.025 4.715 4.740 -0.000 0.000 0.212 258 N C 1.492 177.010 175.510 0.014 0.000 1.127 258 N CA -0.115 52.935 53.050 -0.001 0.000 0.834 258 N CB 0.261 38.726 38.487 -0.037 0.000 1.014 258 N HN 0.477 nan 8.380 nan 0.000 0.491 259 Q N -0.253 119.574 119.800 0.046 0.000 2.123 259 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 259 Q C -0.174 175.892 176.000 0.110 0.000 0.966 259 Q CA 0.974 56.813 55.803 0.060 0.000 0.845 259 Q CB -0.024 28.752 28.738 0.063 0.000 0.907 259 Q HN 0.431 nan 8.270 nan 0.000 0.439 260 Y N 1.672 121.966 120.300 -0.010 0.000 2.421 260 Y HA 0.380 4.930 4.550 -0.000 0.000 0.339 260 Y C -2.672 173.228 175.900 -0.001 0.000 0.996 260 Y CA -3.162 54.934 58.100 -0.007 0.000 1.046 260 Y CB 1.773 40.231 38.460 -0.004 0.000 1.226 260 Y HN -0.067 nan 8.280 nan 0.000 0.445 261 P HA -0.070 nan 4.420 nan 0.000 0.257 261 P C 0.224 177.533 177.300 0.014 0.000 1.153 261 P CA 1.829 64.799 63.100 -0.217 0.000 0.762 261 P CB 0.174 31.646 31.700 -0.381 0.000 0.743 262 A N 2.853 125.697 122.820 0.040 0.000 2.771 262 A HA -0.244 4.075 4.320 -0.000 0.000 0.294 262 A C 1.444 179.118 177.584 0.150 0.000 1.500 262 A CA 0.997 53.084 52.037 0.083 0.000 0.829 262 A CB -2.343 16.698 19.000 0.068 0.000 0.998 262 A HN 0.643 nan 8.150 nan 0.000 0.526 263 L N -1.122 120.216 121.223 0.192 0.000 2.081 263 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 263 L C 2.669 179.628 176.870 0.148 0.000 1.080 263 L CA 2.582 57.539 54.840 0.195 0.000 0.754 263 L CB -0.458 41.707 42.059 0.177 0.000 0.893 263 L HN 0.744 nan 8.230 nan 0.000 0.433 264 T N -0.292 114.334 114.554 0.121 0.000 2.607 264 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 264 T C 1.885 176.686 174.700 0.168 0.000 1.049 264 T CA 1.464 63.632 62.100 0.114 0.000 1.162 264 T CB -0.599 68.306 68.868 0.062 0.000 0.863 264 T HN 0.538 nan 8.240 nan 0.000 0.424 265 A N 1.756 124.669 122.820 0.155 0.000 1.978 265 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 265 A C 2.362 180.101 177.584 0.258 0.000 1.170 265 A CA 1.454 53.618 52.037 0.212 0.000 0.636 265 A CB -0.435 18.655 19.000 0.150 0.000 0.810 265 A HN 0.409 nan 8.150 nan 0.000 0.448 266 E N 0.049 120.366 120.200 0.195 0.000 2.028 266 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 266 E C 2.034 178.746 176.600 0.186 0.000 0.988 266 E CA 1.189 57.685 56.400 0.161 0.000 0.799 266 E CB -0.532 29.245 29.700 0.129 0.000 0.755 266 E HN 0.731 nan 8.360 nan 0.000 0.447 267 I N 0.940 121.644 120.570 0.224 0.000 2.208 267 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 267 I C 2.442 178.812 176.117 0.421 0.000 1.097 267 I CA 1.145 62.634 61.300 0.315 0.000 1.363 267 I CB -0.374 37.800 38.000 0.290 0.000 1.051 267 I HN -0.006 nan 8.210 nan 0.000 0.413 268 F N 2.128 122.206 119.950 0.212 0.000 2.095 268 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 268 F C 2.332 178.268 175.800 0.227 0.000 1.104 268 F CA 2.090 60.209 58.000 0.199 0.000 1.232 268 F CB -0.875 38.196 39.000 0.119 0.000 0.987 268 F HN 0.127 nan 8.300 nan 0.000 0.475 269 N N 0.442 119.112 118.700 -0.049 0.000 2.104 269 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 269 N C 1.801 177.299 175.510 -0.020 0.000 1.024 269 N CA 2.199 55.154 53.050 -0.158 0.000 0.853 269 N CB -0.076 38.408 38.487 -0.005 0.000 1.008 269 N HN 0.306 nan 8.380 nan 0.000 0.424 270 V N 0.002 119.966 119.914 0.084 0.000 2.307 270 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 270 V C 1.621 177.737 176.094 0.036 0.000 1.045 270 V CA 1.422 63.779 62.300 0.096 0.000 1.024 270 V CB -1.110 30.680 31.823 -0.054 0.000 0.651 270 V HN 0.280 nan 8.190 nan 0.000 0.449 271 Y N 0.697 121.066 120.300 0.114 0.000 2.583 271 Y HA 0.118 4.668 4.550 -0.000 0.000 0.293 271 Y C 1.823 177.853 175.900 0.217 0.000 1.157 271 Y CA 0.048 58.239 58.100 0.150 0.000 1.315 271 Y CB -0.344 38.217 38.460 0.167 0.000 1.021 271 Y HN 0.140 nan 8.280 nan 0.000 0.536 272 S N 0.253 116.063 115.700 0.183 0.000 2.576 272 S HA -0.055 4.415 4.470 -0.000 0.000 0.272 272 S C 0.895 175.753 174.600 0.431 0.000 1.352 272 S CA -0.530 57.749 58.200 0.133 0.000 1.021 272 S CB 0.403 63.453 63.200 -0.249 0.000 0.887 272 S HN 0.314 nan 8.310 nan 0.000 0.542 273 F N 2.106 122.225 119.950 0.282 0.000 2.074 273 F HA 0.063 4.590 4.527 -0.000 0.000 0.290 273 F C 1.911 177.868 175.800 0.261 0.000 1.118 273 F CA 1.565 59.728 58.000 0.272 0.000 1.199 273 F CB -0.208 38.907 39.000 0.191 0.000 1.012 273 F HN 0.734 nan 8.300 nan 0.000 0.472 274 R N -0.325 120.136 120.500 -0.065 0.000 1.254 274 R HA -0.301 4.039 4.340 -0.000 0.000 0.021 274 R C -0.738 175.230 176.300 -0.554 0.000 0.960 274 R CA 1.983 57.944 56.100 -0.231 0.000 1.975 274 R CB -2.105 28.043 30.300 -0.253 0.000 0.151 274 R HN 0.583 nan 8.270 nan 0.000 0.730 275 D N -2.332 117.503 120.400 -0.941 0.000 2.671 275 D HA 0.274 4.914 4.640 -0.000 0.000 0.273 275 D C 0.035 175.774 176.300 -0.936 0.000 1.264 275 D CA -0.471 52.949 54.000 -0.967 0.000 0.788 275 D CB 0.111 40.766 40.800 -0.243 0.000 1.324 275 D HN 0.243 nan 8.370 nan 0.000 0.424 276 H N -0.609 118.245 119.070 -0.361 0.000 2.394 276 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 276 H C 1.451 176.706 175.328 -0.122 0.000 1.113 276 H CA 2.547 58.557 56.048 -0.064 0.000 1.277 276 H CB -0.388 29.399 29.762 0.042 0.000 1.370 276 H HN 0.477 nan 8.280 nan 0.000 0.506 277 T N 0.435 114.953 114.554 -0.060 0.000 2.614 277 T HA -0.237 4.113 4.350 -0.000 0.000 0.263 277 T C 1.836 176.397 174.700 -0.230 0.000 1.055 277 T CA 1.244 63.245 62.100 -0.164 0.000 1.162 277 T CB -0.670 68.097 68.868 -0.169 0.000 0.863 277 T HN 0.592 nan 8.240 nan 0.000 0.414 278 W N 1.773 122.740 121.300 -0.554 0.000 2.317 278 W HA -0.309 4.351 4.660 -0.000 0.000 0.318 278 W C 2.339 178.621 176.519 -0.394 0.000 1.227 278 W CA 1.906 58.814 57.345 -0.727 0.000 1.269 278 W CB -0.716 28.115 29.460 -1.048 0.000 1.155 278 W HN 0.443 nan 8.180 nan 0.000 0.484 279 H N -0.346 118.325 119.070 -0.665 0.000 2.257 279 H HA -0.184 4.372 4.556 -0.000 0.000 0.292 279 H C 2.486 177.523 175.328 -0.486 0.000 1.075 279 H CA 3.504 59.213 56.048 -0.566 0.000 1.212 279 H CB -0.979 28.655 29.762 -0.213 0.000 1.354 279 H HN 0.150 nan 8.280 nan 0.000 0.497 280 G N 1.100 109.768 108.800 -0.220 0.000 2.469 280 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 280 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 280 G C 1.845 176.568 174.900 -0.296 0.000 1.136 280 G CA 0.903 45.879 45.100 -0.207 0.000 0.759 280 G HN 0.429 nan 8.290 nan 0.000 0.562 281 L N 0.123 121.134 121.223 -0.353 0.000 1.948 281 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 281 L C 2.917 179.502 176.870 -0.476 0.000 1.074 281 L CA 1.865 56.521 54.840 -0.306 0.000 0.753 281 L CB -0.532 41.409 42.059 -0.197 0.000 0.888 281 L HN 0.227 nan 8.230 nan 0.000 0.432 282 R N -0.364 119.598 120.500 -0.897 0.000 2.153 282 R HA -0.211 4.129 4.340 -0.000 0.000 0.252 282 R C 1.858 177.804 176.300 -0.590 0.000 1.158 282 R CA 2.419 57.958 56.100 -0.935 0.000 0.975 282 R CB -0.737 28.662 30.300 -1.502 0.000 0.871 282 R HN 0.467 nan 8.270 nan 0.000 0.450 283 T N 0.812 115.021 114.554 -0.574 0.000 2.612 283 T HA -0.065 4.285 4.350 -0.000 0.000 0.259 283 T C 1.896 176.441 174.700 -0.258 0.000 1.065 283 T CA 1.800 63.652 62.100 -0.412 0.000 1.167 283 T CB -0.616 67.991 68.868 -0.435 0.000 0.863 283 T HN 0.465 nan 8.240 nan 0.000 0.407 284 A N 0.918 123.610 122.820 -0.214 0.000 2.042 284 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 284 A C 2.259 179.778 177.584 -0.108 0.000 1.167 284 A CA 1.461 53.423 52.037 -0.124 0.000 0.649 284 A CB -1.031 17.916 19.000 -0.088 0.000 0.809 284 A HN 0.586 nan 8.150 nan 0.000 0.457 285 I N -1.392 119.088 120.570 -0.151 0.000 2.162 285 I HA -0.215 3.955 4.170 -0.000 0.000 0.238 285 I C 2.584 178.638 176.117 -0.104 0.000 1.076 285 I CA 1.375 62.604 61.300 -0.118 0.000 1.353 285 I CB -0.428 37.484 38.000 -0.147 0.000 1.063 285 I HN 0.228 nan 8.210 nan 0.000 0.408 286 R N 1.062 121.477 120.500 -0.141 0.000 2.249 286 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 286 R C 1.671 177.934 176.300 -0.063 0.000 1.121 286 R CA 0.858 56.895 56.100 -0.105 0.000 0.997 286 R CB -0.477 29.739 30.300 -0.139 0.000 0.867 286 R HN 0.396 nan 8.270 nan 0.000 0.465 287 N N 0.497 119.158 118.700 -0.066 0.000 2.520 287 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 287 N C 1.059 176.555 175.510 -0.023 0.000 1.068 287 N CA 0.902 53.929 53.050 -0.038 0.000 0.911 287 N CB 0.077 38.540 38.487 -0.040 0.000 0.961 287 N HN 0.047 nan 8.380 nan 0.000 0.446 288 R N -0.353 120.131 120.500 -0.027 0.000 2.312 288 R HA 0.138 4.478 4.340 -0.000 0.000 0.205 288 R C 0.615 176.908 176.300 -0.012 0.000 0.904 288 R CA 0.193 56.283 56.100 -0.016 0.000 1.052 288 R CB -0.095 30.195 30.300 -0.016 0.000 1.014 288 R HN 0.286 nan 8.270 nan 0.000 0.503 289 T N -4.129 110.416 114.554 -0.014 0.000 2.938 289 T HA 0.217 4.567 4.350 -0.000 0.000 0.285 289 T C 1.162 175.868 174.700 0.010 0.000 1.028 289 T CA -0.261 61.836 62.100 -0.005 0.000 1.005 289 T CB 1.623 70.484 68.868 -0.011 0.000 1.157 289 T HN 0.100 nan 8.240 nan 0.000 0.550 290 T N -0.967 113.599 114.554 0.019 0.000 3.148 290 T HA 0.227 4.577 4.350 -0.000 0.000 0.253 290 T C 0.479 175.211 174.700 0.053 0.000 1.134 290 T CA -0.219 61.901 62.100 0.033 0.000 1.051 290 T CB -0.424 68.465 68.868 0.034 0.000 0.959 290 T HN 0.277 nan 8.240 nan 0.000 0.525 291 L N 3.168 124.423 121.223 0.054 0.000 2.350 291 L HA 0.442 4.782 4.340 -0.000 0.000 0.275 291 L C -2.077 174.856 176.870 0.105 0.000 1.099 291 L CA -2.681 52.215 54.840 0.093 0.000 0.808 291 L CB 0.498 42.611 42.059 0.091 0.000 1.149 291 L HN 0.005 nan 8.230 nan 0.000 0.442 292 P HA 0.038 nan 4.420 nan 0.000 0.267 292 P C 0.033 177.452 177.300 0.199 0.000 1.209 292 P CA -0.186 63.010 63.100 0.160 0.000 0.763 292 P CB 0.328 32.120 31.700 0.152 0.000 0.816 293 N N 4.367 123.122 118.700 0.092 0.000 2.430 293 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 293 N C 1.029 176.545 175.510 0.009 0.000 1.032 293 N CA 1.658 54.711 53.050 0.005 0.000 0.893 293 N CB -0.676 37.786 38.487 -0.042 0.000 0.957 293 N HN 0.598 nan 8.380 nan 0.000 0.442 294 M N -3.306 116.420 119.600 0.209 0.000 3.011 294 M HA 0.375 4.855 4.480 -0.000 0.000 0.478 294 M C -1.170 175.445 176.300 0.525 0.000 1.360 294 M CA -0.279 55.209 55.300 0.313 0.000 0.835 294 M CB 0.617 33.261 32.600 0.074 0.000 1.749 294 M HN -0.161 nan 8.290 nan 0.000 0.594 295 L N 2.483 123.902 121.223 0.327 0.000 2.482 295 L HA 0.625 4.965 4.340 -0.000 0.000 0.269 295 L C -2.536 174.018 176.870 -0.527 0.000 0.967 295 L CA -1.640 53.158 54.840 -0.069 0.000 0.851 295 L CB 2.481 44.550 42.059 0.018 0.000 1.242 295 L HN -0.152 nan 8.230 nan 0.000 0.404 296 P HA -0.077 nan 4.420 nan 0.000 0.255 296 P C -2.232 174.863 177.300 -0.341 0.000 1.151 296 P CA -0.370 62.214 63.100 -0.859 0.000 0.767 296 P CB -0.325 31.098 31.700 -0.461 0.000 0.736 297 P HA -0.036 nan 4.420 nan 0.000 0.262 297 P C 0.719 177.968 177.300 -0.085 0.000 1.182 297 P CA 0.165 63.240 63.100 -0.043 0.000 0.761 297 P CB 0.613 32.353 31.700 0.066 0.000 0.795 298 I N 2.705 123.185 120.570 -0.149 0.000 2.151 298 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 298 I C 1.224 177.072 176.117 -0.448 0.000 1.080 298 I CA 1.646 62.725 61.300 -0.368 0.000 1.339 298 I CB -0.933 36.715 38.000 -0.585 0.000 1.039 298 I HN 0.217 nan 8.210 nan 0.000 0.409 299 F N 2.175 122.172 119.950 0.078 0.000 2.420 299 F HA 0.413 4.940 4.527 -0.000 0.000 0.342 299 F C -1.939 173.896 175.800 0.058 0.000 1.113 299 F CA -3.265 54.785 58.000 0.083 0.000 1.059 299 F CB -0.019 39.029 39.000 0.080 0.000 1.128 299 F HN -0.173 nan 8.300 nan 0.000 0.475 300 P HA 0.094 nan 4.420 nan 0.000 0.264 300 P C -2.550 174.830 177.300 0.134 0.000 1.193 300 P CA -0.781 62.401 63.100 0.136 0.000 0.763 300 P CB 0.117 31.876 31.700 0.100 0.000 0.810 301 P HA 0.048 nan 4.420 nan 0.000 0.271 301 P C 0.715 178.049 177.300 0.058 0.000 1.244 301 P CA 0.088 63.236 63.100 0.080 0.000 0.793 301 P CB 0.351 32.088 31.700 0.062 0.000 0.984 302 N N -0.878 117.846 118.700 0.040 0.000 2.036 302 N HA 0.014 4.754 4.740 -0.000 0.000 0.228 302 N C -0.995 174.508 175.510 -0.011 0.000 1.368 302 N CA -0.111 52.953 53.050 0.023 0.000 0.846 302 N CB 0.345 38.861 38.487 0.049 0.000 1.145 302 N HN 0.378 nan 8.380 nan 0.000 0.502 303 D N 0.625 121.020 120.400 -0.009 0.000 2.198 303 D HA 0.196 4.836 4.640 -0.000 0.000 0.247 303 D C 0.914 177.190 176.300 -0.041 0.000 1.010 303 D CA -0.610 53.373 54.000 -0.028 0.000 0.880 303 D CB 2.858 43.651 40.800 -0.011 0.000 1.209 303 D HN -0.113 nan 8.370 nan 0.000 0.451 304 R N 1.194 121.660 120.500 -0.056 0.000 2.143 304 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 304 R C 0.885 177.152 176.300 -0.056 0.000 1.126 304 R CA 2.403 58.465 56.100 -0.063 0.000 0.927 304 R CB -0.314 29.948 30.300 -0.064 0.000 0.860 304 R HN 0.490 nan 8.270 nan 0.000 0.433 305 D N -0.088 120.286 120.400 -0.043 0.000 2.192 305 D HA -0.204 4.436 4.640 -0.000 0.000 0.189 305 D C 2.015 178.294 176.300 -0.034 0.000 1.007 305 D CA 1.956 55.934 54.000 -0.036 0.000 0.859 305 D CB -0.580 40.206 40.800 -0.024 0.000 0.936 305 D HN 0.232 nan 8.370 nan 0.000 0.447 306 S N 0.108 115.793 115.700 -0.024 0.000 2.351 306 S HA -0.119 4.351 4.470 -0.000 0.000 0.220 306 S C 2.073 176.655 174.600 -0.031 0.000 1.035 306 S CA 0.635 58.827 58.200 -0.012 0.000 1.031 306 S CB -0.170 63.036 63.200 0.010 0.000 0.928 306 S HN 0.188 nan 8.310 nan 0.000 0.433 307 I N 1.772 122.311 120.570 -0.051 0.000 2.118 307 I HA -0.197 3.973 4.170 -0.000 0.000 0.241 307 I C 2.318 178.352 176.117 -0.138 0.000 1.070 307 I CA 1.328 62.566 61.300 -0.102 0.000 1.327 307 I CB -1.636 36.284 38.000 -0.133 0.000 1.034 307 I HN 0.273 nan 8.210 nan 0.000 0.405 308 L N 0.417 121.568 121.223 -0.120 0.000 1.951 308 L HA -0.314 4.026 4.340 -0.000 0.000 0.222 308 L C 2.717 179.538 176.870 -0.083 0.000 1.078 308 L CA 2.481 57.255 54.840 -0.111 0.000 0.778 308 L CB -0.724 41.287 42.059 -0.080 0.000 0.893 308 L HN 0.286 nan 8.230 nan 0.000 0.436 309 T N 0.416 114.935 114.554 -0.058 0.000 2.649 309 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 309 T C 1.818 176.493 174.700 -0.041 0.000 1.036 309 T CA 1.945 64.019 62.100 -0.043 0.000 1.157 309 T CB -0.495 68.351 68.868 -0.036 0.000 0.861 309 T HN 0.200 nan 8.240 nan 0.000 0.445 310 L N -0.021 121.176 121.223 -0.042 0.000 1.970 310 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 310 L C 2.575 179.431 176.870 -0.025 0.000 1.071 310 L CA 1.343 56.167 54.840 -0.026 0.000 0.751 310 L CB -0.634 41.421 42.059 -0.007 0.000 0.889 310 L HN 0.229 nan 8.230 nan 0.000 0.432 311 L N -1.099 120.085 121.223 -0.065 0.000 1.971 311 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 311 L C 2.517 179.372 176.870 -0.024 0.000 1.072 311 L CA 1.201 56.003 54.840 -0.063 0.000 0.758 311 L CB -0.565 41.408 42.059 -0.142 0.000 0.889 311 L HN 0.180 nan 8.230 nan 0.000 0.433 312 L N -0.735 120.470 121.223 -0.031 0.000 1.971 312 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 312 L C 2.390 179.270 176.870 0.017 0.000 1.072 312 L CA 1.763 56.595 54.840 -0.013 0.000 0.758 312 L CB -0.939 41.108 42.059 -0.020 0.000 0.889 312 L HN 0.169 nan 8.230 nan 0.000 0.433 313 L N -1.303 119.937 121.223 0.029 0.000 2.042 313 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 313 L C 2.762 179.717 176.870 0.141 0.000 1.076 313 L CA 1.675 56.573 54.840 0.098 0.000 0.749 313 L CB -0.333 41.756 42.059 0.051 0.000 0.893 313 L HN 0.414 nan 8.230 nan 0.000 0.432 314 S N -1.224 114.520 115.700 0.074 0.000 2.370 314 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 314 S C 1.875 176.484 174.600 0.015 0.000 1.033 314 S CA 2.145 60.378 58.200 0.055 0.000 1.011 314 S CB -0.176 63.051 63.200 0.046 0.000 0.852 314 S HN 0.499 nan 8.310 nan 0.000 0.457 315 T N 2.475 117.039 114.554 0.017 0.000 2.737 315 T HA -0.004 4.346 4.350 -0.000 0.000 0.265 315 T C 1.677 176.375 174.700 -0.004 0.000 1.038 315 T CA 1.295 63.396 62.100 0.002 0.000 1.144 315 T CB -0.517 68.354 68.868 0.005 0.000 0.866 315 T HN 0.338 nan 8.240 nan 0.000 0.434 316 L N 1.495 122.734 121.223 0.025 0.000 2.187 316 L HA 0.035 4.375 4.340 -0.000 0.000 0.213 316 L C 2.418 179.318 176.870 0.049 0.000 1.100 316 L CA 1.511 56.384 54.840 0.055 0.000 0.765 316 L CB -0.958 41.158 42.059 0.096 0.000 0.904 316 L HN 0.213 nan 8.230 nan 0.000 0.437 317 A N -0.669 122.066 122.820 -0.142 0.000 1.858 317 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 317 A C 2.015 179.361 177.584 -0.396 0.000 1.190 317 A CA 1.801 53.414 52.037 -0.707 0.000 0.617 317 A CB -0.828 17.832 19.000 -0.567 0.000 0.827 317 A HN 0.529 nan 8.150 nan 0.000 0.443 318 D N -0.147 120.139 120.400 -0.189 0.000 2.149 318 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 318 D C 2.094 178.367 176.300 -0.045 0.000 0.990 318 D CA 1.474 55.409 54.000 -0.108 0.000 0.839 318 D CB -0.470 40.294 40.800 -0.059 0.000 0.948 318 D HN 0.212 nan 8.370 nan 0.000 0.460 319 V N 0.892 120.813 119.914 0.013 0.000 2.255 319 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 319 V C 2.274 178.447 176.094 0.131 0.000 1.051 319 V CA 1.567 63.915 62.300 0.079 0.000 1.018 319 V CB -0.717 31.171 31.823 0.108 0.000 0.641 319 V HN 0.166 nan 8.190 nan 0.000 0.445 320 Y N 1.560 121.918 120.300 0.096 0.000 2.151 320 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 320 Y C 2.617 178.388 175.900 -0.214 0.000 1.166 320 Y CA 2.390 60.428 58.100 -0.103 0.000 1.163 320 Y CB -0.724 37.579 38.460 -0.262 0.000 0.974 320 Y HN 0.301 nan 8.280 nan 0.000 0.511 321 T N 0.013 114.548 114.554 -0.031 0.000 2.684 321 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 321 T C 2.041 176.666 174.700 -0.126 0.000 1.036 321 T CA 2.487 64.541 62.100 -0.076 0.000 1.148 321 T CB -1.048 67.768 68.868 -0.087 0.000 0.863 321 T HN 0.424 nan 8.240 nan 0.000 0.436 322 V N 0.169 120.022 119.914 -0.101 0.000 2.488 322 V HA 0.091 4.211 4.120 -0.000 0.000 0.246 322 V C 2.297 178.315 176.094 -0.127 0.000 1.046 322 V CA 1.200 63.444 62.300 -0.093 0.000 1.053 322 V CB -1.104 30.684 31.823 -0.058 0.000 0.679 322 V HN 0.409 nan 8.190 nan 0.000 0.458 323 L N -0.308 120.822 121.223 -0.156 0.000 2.291 323 L HA 0.137 4.477 4.340 -0.000 0.000 0.214 323 L C 1.255 177.951 176.870 -0.291 0.000 1.120 323 L CA 0.526 55.255 54.840 -0.185 0.000 0.799 323 L CB -0.465 41.520 42.059 -0.122 0.000 0.925 323 L HN 0.397 nan 8.230 nan 0.000 0.446 324 R N -2.224 118.023 120.500 -0.420 0.000 3.333 324 R HA -0.148 4.192 4.340 -0.000 0.000 0.256 324 R C -2.208 173.808 176.300 -0.474 0.000 1.010 324 R CA 0.021 55.853 56.100 -0.447 0.000 0.680 324 R CB -2.555 27.602 30.300 -0.238 0.000 1.102 324 R HN 0.299 nan 8.270 nan 0.000 0.440 325 P HA 0.049 nan 4.420 nan 0.000 0.268 325 P C -0.227 176.966 177.300 -0.178 0.000 1.208 325 P CA 0.446 63.291 63.100 -0.425 0.000 0.777 325 P CB 0.584 31.903 31.700 -0.635 0.000 0.875 326 E N 1.870 122.119 120.200 0.082 0.000 2.302 326 E HA 0.474 4.824 4.350 -0.000 0.000 0.263 326 E C -1.018 175.780 176.600 0.331 0.000 0.897 326 E CA -0.405 56.049 56.400 0.090 0.000 0.809 326 E CB 0.816 30.524 29.700 0.013 0.000 1.270 326 E HN 0.383 nan 8.360 nan 0.000 0.410 327 F N 0.523 120.510 119.950 0.061 0.000 2.858 327 F HA 0.808 5.335 4.527 -0.000 0.000 0.319 327 F C -1.648 174.211 175.800 0.099 0.000 1.166 327 F CA -1.275 56.800 58.000 0.124 0.000 0.899 327 F CB 0.569 39.734 39.000 0.275 0.000 1.332 327 F HN 0.297 nan 8.300 nan 0.000 0.461 328 A N 1.114 124.026 122.820 0.154 0.000 2.384 328 A HA 0.954 5.274 4.320 -0.000 0.000 0.312 328 A C -1.334 176.270 177.584 0.033 0.000 1.113 328 A CA -0.908 51.129 52.037 0.001 0.000 0.779 328 A CB 1.532 20.545 19.000 0.021 0.000 1.307 328 A HN 0.738 nan 8.150 nan 0.000 0.436 329 M N 1.319 120.886 119.600 -0.056 0.000 2.530 329 M HA 0.390 4.870 4.480 -0.000 0.000 0.307 329 M C -0.691 175.550 176.300 -0.098 0.000 1.161 329 M CA -0.422 54.813 55.300 -0.108 0.000 0.903 329 M CB 1.555 34.131 32.600 -0.041 0.000 1.711 329 M HN 0.599 nan 8.290 nan 0.000 0.451 330 H N 1.424 120.526 119.070 0.052 0.000 3.004 330 H HA 0.312 4.868 4.556 -0.000 0.000 0.316 330 H C 1.271 176.612 175.328 0.021 0.000 1.014 330 H CA 1.445 57.513 56.048 0.033 0.000 1.454 330 H CB -0.053 29.727 29.762 0.030 0.000 1.472 330 H HN 0.978 nan 8.280 nan 0.000 0.571 331 G N 2.480 111.359 108.800 0.132 0.000 2.175 331 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 331 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 331 G C -0.093 174.836 174.900 0.048 0.000 0.982 331 G CA 0.115 45.260 45.100 0.075 0.000 0.641 331 G HN 0.562 nan 8.290 nan 0.000 0.527 332 V N 1.445 121.381 119.914 0.036 0.000 2.384 332 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 332 V C -0.028 176.064 176.094 -0.004 0.000 1.020 332 V CA -0.921 61.391 62.300 0.020 0.000 0.850 332 V CB 1.721 33.543 31.823 -0.002 0.000 0.987 332 V HN 0.309 nan 8.190 nan 0.000 0.436 333 N N 6.075 124.760 118.700 -0.026 0.000 2.626 333 N HA 0.379 5.119 4.740 -0.000 0.000 0.242 333 N C -2.510 172.890 175.510 -0.183 0.000 1.005 333 N CA -0.981 52.026 53.050 -0.071 0.000 0.905 333 N CB 2.236 40.689 38.487 -0.057 0.000 1.128 333 N HN 0.498 nan 8.380 nan 0.000 0.512 334 P HA 0.150 nan 4.420 nan 0.000 0.275 334 P C -0.582 176.574 177.300 -0.240 0.000 1.227 334 P CA -0.402 62.555 63.100 -0.238 0.000 0.781 334 P CB 1.248 32.905 31.700 -0.073 0.000 0.906 335 M N 5.182 124.599 119.600 -0.305 0.000 2.072 335 M HA 0.336 4.816 4.480 -0.000 0.000 0.331 335 M C -2.496 173.821 176.300 0.029 0.000 1.004 335 M CA -2.586 52.648 55.300 -0.111 0.000 0.952 335 M CB 1.427 33.978 32.600 -0.082 0.000 1.511 335 M HN 0.260 nan 8.290 nan 0.000 0.422 336 P HA 0.551 nan 4.420 nan 0.000 0.279 336 P C 0.322 177.647 177.300 0.041 0.000 1.252 336 P CA 0.369 63.489 63.100 0.033 0.000 0.811 336 P CB 1.381 33.087 31.700 0.010 0.000 1.035 337 G N 2.265 111.089 108.800 0.040 0.000 2.650 337 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.264 337 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.264 337 G C -2.074 172.855 174.900 0.049 0.000 1.263 337 G CA -0.124 44.998 45.100 0.036 0.000 0.960 337 G HN 0.721 nan 8.290 nan 0.000 0.548 338 P HA 0.479 nan 4.420 nan 0.000 0.268 338 P C -0.624 176.722 177.300 0.077 0.000 1.485 338 P CA -0.131 63.001 63.100 0.054 0.000 1.102 338 P CB 0.362 32.087 31.700 0.041 0.000 1.501 339 L N 3.775 125.054 121.223 0.094 0.000 2.334 339 L HA 0.451 4.791 4.340 -0.000 0.000 0.277 339 L C 1.272 178.203 176.870 0.102 0.000 1.075 339 L CA 0.032 54.950 54.840 0.130 0.000 0.804 339 L CB 1.168 43.334 42.059 0.178 0.000 1.174 339 L HN 0.391 nan 8.230 nan 0.000 0.438 340 T N -1.672 112.937 114.554 0.091 0.000 2.924 340 T HA 0.633 4.983 4.350 -0.000 0.000 0.291 340 T C 1.100 175.825 174.700 0.041 0.000 1.045 340 T CA -0.143 61.992 62.100 0.059 0.000 1.015 340 T CB 1.781 70.673 68.868 0.040 0.000 1.103 340 T HN 0.551 nan 8.240 nan 0.000 0.496 341 A N 1.472 124.310 122.820 0.030 0.000 1.958 341 A HA 0.045 4.365 4.320 -0.000 0.000 0.221 341 A C 2.562 180.127 177.584 -0.031 0.000 1.178 341 A CA 2.475 54.516 52.037 0.006 0.000 0.642 341 A CB -1.571 17.434 19.000 0.008 0.000 0.816 341 A HN 1.380 nan 8.150 nan 0.000 0.453 342 A N 0.061 122.869 122.820 -0.019 0.000 1.865 342 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 342 A C 2.114 179.667 177.584 -0.051 0.000 1.191 342 A CA 1.640 53.659 52.037 -0.029 0.000 0.623 342 A CB -0.705 18.289 19.000 -0.009 0.000 0.826 342 A HN 0.543 nan 8.150 nan 0.000 0.444 343 I N -0.196 120.354 120.570 -0.033 0.000 2.264 343 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 343 I C 2.904 178.886 176.117 -0.225 0.000 1.111 343 I CA 1.030 62.307 61.300 -0.040 0.000 1.382 343 I CB -0.437 37.602 38.000 0.064 0.000 1.060 343 I HN 0.375 nan 8.210 nan 0.000 0.418 344 A N 1.087 123.723 122.820 -0.307 0.000 1.855 344 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 344 A C 2.363 179.708 177.584 -0.399 0.000 1.191 344 A CA 1.837 53.462 52.037 -0.687 0.000 0.613 344 A CB -0.568 18.233 19.000 -0.333 0.000 0.829 344 A HN 0.298 nan 8.150 nan 0.000 0.442 345 R N 0.322 120.702 120.500 -0.200 0.000 2.112 345 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 345 R C 2.139 178.403 176.300 -0.061 0.000 1.137 345 R CA 2.377 58.401 56.100 -0.126 0.000 0.944 345 R CB -0.967 29.276 30.300 -0.096 0.000 0.857 345 R HN 0.407 nan 8.270 nan 0.000 0.435 346 A N 0.135 122.901 122.820 -0.090 0.000 1.940 346 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 346 A C 2.390 179.929 177.584 -0.076 0.000 1.176 346 A CA 1.957 53.959 52.037 -0.058 0.000 0.631 346 A CB -1.111 17.863 19.000 -0.045 0.000 0.814 346 A HN 0.573 nan 8.150 nan 0.000 0.446 347 A N -1.580 121.105 122.820 -0.225 0.000 2.019 347 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 347 A C 1.191 178.599 177.584 -0.293 0.000 1.164 347 A CA 0.886 52.695 52.037 -0.379 0.000 0.644 347 A CB -0.673 17.745 19.000 -0.971 0.000 0.805 347 A HN 0.546 nan 8.150 nan 0.000 0.449 348 Y N 0.596 120.779 120.300 -0.195 0.000 3.040 348 Y HA 0.351 4.901 4.550 -0.000 0.000 0.392 348 Y C 0.882 176.794 175.900 0.021 0.000 1.105 348 Y CA -0.308 57.791 58.100 -0.002 0.000 1.950 348 Y CB -1.425 37.036 38.460 0.002 0.000 2.014 348 Y HN 0.067 nan 8.280 nan 0.000 0.433 349 V N 0.000 119.974 119.914 0.100 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.343 62.300 0.072 0.000 1.235 349 V CB 0.000 31.866 31.823 0.071 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556