REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1bvp_1_4 DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAVT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVHNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAILNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAIH GVNPMPGPLT RAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.028 0.000 1.302 2 D N 0.024 120.376 120.400 -0.080 0.000 2.149 2 D HA -0.017 4.623 4.640 -0.000 0.000 0.201 2 D C 1.614 177.799 176.300 -0.192 0.000 0.972 2 D CA 2.247 56.176 54.000 -0.118 0.000 0.835 2 D CB -0.015 40.718 40.800 -0.112 0.000 0.966 2 D HN 0.654 nan 8.370 nan 0.000 0.476 3 T N -0.461 113.977 114.554 -0.193 0.000 2.788 3 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 3 T C 2.275 176.884 174.700 -0.151 0.000 1.044 3 T CA 0.571 62.509 62.100 -0.269 0.000 1.139 3 T CB -0.416 68.400 68.868 -0.087 0.000 0.867 3 T HN 0.145 nan 8.240 nan 0.000 0.454 4 I N 2.045 122.571 120.570 -0.074 0.000 2.163 4 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 4 I C 3.211 179.297 176.117 -0.051 0.000 1.085 4 I CA 1.479 62.759 61.300 -0.033 0.000 1.347 4 I CB -0.799 37.190 38.000 -0.019 0.000 1.044 4 I HN 0.331 nan 8.210 nan 0.000 0.408 5 A N 0.853 123.625 122.820 -0.080 0.000 1.898 5 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 5 A C 2.581 180.110 177.584 -0.092 0.000 1.181 5 A CA 1.737 53.728 52.037 -0.077 0.000 0.620 5 A CB -0.782 18.169 19.000 -0.083 0.000 0.819 5 A HN 0.438 nan 8.150 nan 0.000 0.442 6 A N -0.122 122.594 122.820 -0.173 0.000 1.940 6 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 6 A C 2.256 179.815 177.584 -0.043 0.000 1.176 6 A CA 1.687 53.598 52.037 -0.210 0.000 0.631 6 A CB -0.456 18.173 19.000 -0.618 0.000 0.814 6 A HN 0.577 nan 8.150 nan 0.000 0.446 7 R N -0.705 119.794 120.500 -0.003 0.000 2.066 7 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 7 R C 2.568 178.892 176.300 0.039 0.000 1.131 7 R CA 1.152 57.305 56.100 0.089 0.000 0.955 7 R CB -0.501 29.862 30.300 0.105 0.000 0.851 7 R HN 0.497 nan 8.270 nan 0.000 0.432 8 A N 1.318 124.142 122.820 0.006 0.000 1.883 8 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 8 A C 2.089 179.665 177.584 -0.013 0.000 1.186 8 A CA 1.208 53.238 52.037 -0.012 0.000 0.624 8 A CB -0.546 18.441 19.000 -0.021 0.000 0.822 8 A HN 0.186 nan 8.150 nan 0.000 0.444 9 L N -0.296 120.921 121.223 -0.009 0.000 2.017 9 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 9 L C 2.652 179.531 176.870 0.016 0.000 1.073 9 L CA 2.677 57.516 54.840 -0.001 0.000 0.745 9 L CB -1.052 41.004 42.059 -0.005 0.000 0.894 9 L HN 0.414 nan 8.230 nan 0.000 0.432 10 T N -1.335 113.242 114.554 0.039 0.000 2.684 10 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 10 T C 1.952 176.668 174.700 0.027 0.000 1.036 10 T CA 1.759 63.892 62.100 0.055 0.000 1.148 10 T CB -0.377 68.552 68.868 0.102 0.000 0.863 10 T HN 0.177 nan 8.240 nan 0.000 0.436 11 V N 1.573 121.495 119.914 0.013 0.000 2.343 11 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 11 V C 2.488 178.565 176.094 -0.029 0.000 1.051 11 V CA 1.667 63.959 62.300 -0.014 0.000 1.036 11 V CB -0.641 31.160 31.823 -0.036 0.000 0.654 11 V HN 0.500 nan 8.190 nan 0.000 0.451 12 M N -0.572 119.010 119.600 -0.029 0.000 2.132 12 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 12 M C 2.428 178.722 176.300 -0.010 0.000 1.065 12 M CA 1.763 57.046 55.300 -0.029 0.000 1.122 12 M CB -0.523 32.061 32.600 -0.027 0.000 1.365 12 M HN 0.222 nan 8.290 nan 0.000 0.411 13 R N 0.346 120.846 120.500 0.000 0.000 2.115 13 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 13 R C 2.354 178.656 176.300 0.002 0.000 1.111 13 R CA 1.250 57.353 56.100 0.006 0.000 0.976 13 R CB -0.497 29.813 30.300 0.015 0.000 0.870 13 R HN 0.365 nan 8.270 nan 0.000 0.445 14 A N 0.728 123.548 122.820 -0.001 0.000 1.898 14 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 14 A C 2.303 179.880 177.584 -0.011 0.000 1.181 14 A CA 1.179 53.213 52.037 -0.005 0.000 0.620 14 A CB -0.684 18.312 19.000 -0.006 0.000 0.819 14 A HN 0.423 nan 8.150 nan 0.000 0.442 15 C N -0.714 118.576 119.300 -0.017 0.000 2.419 15 C HA 0.108 4.568 4.460 -0.000 0.000 0.281 15 C C 3.053 178.036 174.990 -0.011 0.000 1.336 15 C CA 0.557 59.563 59.018 -0.019 0.000 1.770 15 C CB -1.357 26.366 27.740 -0.028 0.000 1.929 15 C HN 0.678 nan 8.230 nan 0.000 0.509 16 A N -0.367 122.450 122.820 -0.005 0.000 2.209 16 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 16 A C 2.075 179.653 177.584 -0.011 0.000 1.158 16 A CA 1.699 53.733 52.037 -0.005 0.000 0.742 16 A CB -0.618 18.381 19.000 -0.002 0.000 0.790 16 A HN 0.547 nan 8.150 nan 0.000 0.472 17 T N 0.035 114.583 114.554 -0.010 0.000 3.014 17 T HA 0.048 4.398 4.350 -0.000 0.000 0.263 17 T C 0.607 175.298 174.700 -0.015 0.000 1.078 17 T CA 0.373 62.466 62.100 -0.011 0.000 1.135 17 T CB -0.239 68.624 68.868 -0.008 0.000 0.895 17 T HN 0.180 nan 8.240 nan 0.000 0.480 18 L N 2.969 124.182 121.223 -0.017 0.000 2.869 18 L HA 0.179 4.519 4.340 -0.000 0.000 0.240 18 L C 1.615 178.470 176.870 -0.026 0.000 1.448 18 L CA 0.581 55.408 54.840 -0.021 0.000 1.158 18 L CB -1.254 40.792 42.059 -0.023 0.000 1.497 18 L HN 0.208 nan 8.230 nan 0.000 0.447 19 Q N 0.194 119.980 119.800 -0.024 0.000 2.124 19 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 19 Q C 1.001 176.984 176.000 -0.029 0.000 0.977 19 Q CA 1.429 57.216 55.803 -0.028 0.000 0.850 19 Q CB 0.447 29.171 28.738 -0.023 0.000 0.901 19 Q HN 0.666 nan 8.270 nan 0.000 0.429 20 E N -3.018 117.168 120.200 -0.024 0.000 2.450 20 E HA 0.457 4.807 4.350 -0.000 0.000 0.272 20 E C -0.303 176.285 176.600 -0.021 0.000 0.967 20 E CA 0.152 56.538 56.400 -0.023 0.000 0.818 20 E CB 0.993 30.681 29.700 -0.020 0.000 1.401 20 E HN 0.006 nan 8.360 nan 0.000 0.450 21 A N 1.233 124.041 122.820 -0.020 0.000 1.854 21 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 21 A C 1.890 179.466 177.584 -0.014 0.000 1.192 21 A CA 1.720 53.747 52.037 -0.017 0.000 0.611 21 A CB -0.474 18.516 19.000 -0.016 0.000 0.832 21 A HN 0.608 nan 8.150 nan 0.000 0.442 22 R N -0.031 120.461 120.500 -0.012 0.000 2.317 22 R HA 0.246 4.586 4.340 -0.000 0.000 0.208 22 R C 0.320 176.614 176.300 -0.010 0.000 0.914 22 R CA 0.008 56.101 56.100 -0.010 0.000 1.060 22 R CB -0.926 29.369 30.300 -0.009 0.000 1.015 22 R HN 0.490 nan 8.270 nan 0.000 0.498 23 I N 0.276 120.840 120.570 -0.011 0.000 3.045 23 I HA 0.018 4.188 4.170 -0.000 0.000 0.288 23 I C 0.439 176.550 176.117 -0.009 0.000 1.238 23 I CA -1.084 60.210 61.300 -0.010 0.000 1.396 23 I CB 0.362 38.356 38.000 -0.011 0.000 1.355 23 I HN -0.074 nan 8.210 nan 0.000 0.601 24 V N 4.379 124.288 119.914 -0.008 0.000 2.394 24 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 24 V C -0.126 175.964 176.094 -0.007 0.000 1.031 24 V CA -0.838 61.458 62.300 -0.007 0.000 0.881 24 V CB 1.181 33.000 31.823 -0.006 0.000 0.982 24 V HN 0.678 nan 8.190 nan 0.000 0.451 25 L N 3.757 124.975 121.223 -0.007 0.000 2.417 25 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 25 L C 0.764 177.630 176.870 -0.006 0.000 1.158 25 L CA 0.418 55.253 54.840 -0.007 0.000 0.819 25 L CB 0.711 42.765 42.059 -0.008 0.000 1.112 25 L HN 1.002 nan 8.230 nan 0.000 0.458 26 E N 1.228 121.424 120.200 -0.006 0.000 2.392 26 E HA 0.110 4.460 4.350 -0.000 0.000 0.264 26 E C 0.759 177.355 176.600 -0.006 0.000 1.024 26 E CA 0.179 56.575 56.400 -0.006 0.000 0.903 26 E CB 1.138 30.835 29.700 -0.005 0.000 0.963 26 E HN 0.702 nan 8.360 nan 0.000 0.432 27 A N 5.295 128.111 122.820 -0.007 0.000 1.883 27 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 27 A C 2.018 179.597 177.584 -0.009 0.000 1.186 27 A CA 1.943 53.975 52.037 -0.008 0.000 0.624 27 A CB -0.820 18.175 19.000 -0.009 0.000 0.822 27 A HN 0.963 nan 8.150 nan 0.000 0.444 28 N N 0.134 118.829 118.700 -0.009 0.000 2.060 28 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 28 N C 1.725 177.230 175.510 -0.008 0.000 1.028 28 N CA 2.290 55.334 53.050 -0.010 0.000 0.861 28 N CB -0.207 38.275 38.487 -0.008 0.000 1.029 28 N HN 0.265 nan 8.380 nan 0.000 0.428 29 V N 1.557 121.468 119.914 -0.006 0.000 2.295 29 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 29 V C 2.561 178.651 176.094 -0.006 0.000 1.049 29 V CA 1.749 64.046 62.300 -0.005 0.000 1.024 29 V CB -0.446 31.374 31.823 -0.005 0.000 0.648 29 V HN 0.366 nan 8.190 nan 0.000 0.447 30 M N -0.508 119.088 119.600 -0.007 0.000 2.175 30 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 30 M C 2.291 178.588 176.300 -0.006 0.000 1.063 30 M CA 1.845 57.141 55.300 -0.006 0.000 1.119 30 M CB -0.441 32.156 32.600 -0.006 0.000 1.377 30 M HN 0.443 nan 8.290 nan 0.000 0.415 31 E N 1.141 121.336 120.200 -0.008 0.000 2.077 31 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 31 E C 1.789 178.384 176.600 -0.008 0.000 0.989 31 E CA 1.356 57.750 56.400 -0.010 0.000 0.800 31 E CB -0.041 29.650 29.700 -0.015 0.000 0.746 31 E HN 0.512 nan 8.360 nan 0.000 0.452 32 I N 0.820 121.386 120.570 -0.007 0.000 2.193 32 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 32 I C 2.506 178.623 176.117 0.000 0.000 1.084 32 I CA 0.745 62.043 61.300 -0.003 0.000 1.365 32 I CB -0.191 37.809 38.000 0.000 0.000 1.064 32 I HN 0.177 nan 8.210 nan 0.000 0.410 33 L N 0.442 121.663 121.223 -0.003 0.000 2.079 33 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 33 L C 2.658 179.530 176.870 0.003 0.000 1.081 33 L CA 1.596 56.432 54.840 -0.005 0.000 0.752 33 L CB -1.303 40.750 42.059 -0.009 0.000 0.896 33 L HN 0.372 nan 8.230 nan 0.000 0.433 34 G N 0.818 109.620 108.800 0.003 0.000 2.480 34 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 34 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 34 G C 1.516 176.424 174.900 0.013 0.000 1.200 34 G CA 1.014 46.118 45.100 0.007 0.000 0.782 34 G HN 0.312 nan 8.290 nan 0.000 0.554 35 I N 1.472 122.048 120.570 0.011 0.000 2.179 35 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 35 I C 3.327 179.463 176.117 0.031 0.000 1.088 35 I CA 1.119 62.429 61.300 0.017 0.000 1.357 35 I CB -0.506 37.501 38.000 0.011 0.000 1.051 35 I HN 0.253 nan 8.210 nan 0.000 0.409 36 A N 1.448 124.286 122.820 0.030 0.000 1.858 36 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 36 A C 2.338 179.966 177.584 0.073 0.000 1.190 36 A CA 1.580 53.643 52.037 0.043 0.000 0.617 36 A CB -0.876 18.133 19.000 0.015 0.000 0.827 36 A HN 0.388 nan 8.150 nan 0.000 0.443 37 I N -0.275 120.328 120.570 0.054 0.000 2.286 37 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 37 I C 2.414 178.598 176.117 0.112 0.000 1.115 37 I CA 1.694 63.048 61.300 0.090 0.000 1.392 37 I CB -0.466 37.563 38.000 0.047 0.000 1.065 37 I HN 0.524 nan 8.210 nan 0.000 0.418 38 N N 0.879 119.618 118.700 0.067 0.000 2.080 38 N HA -0.182 4.558 4.740 -0.000 0.000 0.189 38 N C 2.108 177.647 175.510 0.050 0.000 1.036 38 N CA 1.218 54.295 53.050 0.047 0.000 0.846 38 N CB 0.051 38.554 38.487 0.027 0.000 1.015 38 N HN -0.022 nan 8.380 nan 0.000 0.423 39 R N -0.320 120.217 120.500 0.062 0.000 2.083 39 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 39 R C 1.978 178.314 176.300 0.061 0.000 1.137 39 R CA 1.207 57.339 56.100 0.054 0.000 0.951 39 R CB -1.282 29.056 30.300 0.064 0.000 0.851 39 R HN 0.462 nan 8.270 nan 0.000 0.434 40 Y N 1.730 122.023 120.300 -0.013 0.000 2.070 40 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 40 Y C 1.884 177.760 175.900 -0.040 0.000 1.148 40 Y CA 2.110 60.197 58.100 -0.022 0.000 1.125 40 Y CB -0.681 37.769 38.460 -0.017 0.000 0.975 40 Y HN 0.197 nan 8.280 nan 0.000 0.492 41 N N -0.593 118.088 118.700 -0.031 0.000 2.205 41 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 41 N C 1.963 177.383 175.510 -0.150 0.000 1.015 41 N CA 0.765 53.744 53.050 -0.119 0.000 0.862 41 N CB -0.508 37.981 38.487 0.004 0.000 0.986 41 N HN 0.535 nan 8.380 nan 0.000 0.429 42 G N 1.041 109.784 108.800 -0.095 0.000 2.404 42 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 42 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 42 G C 1.362 176.195 174.900 -0.111 0.000 1.174 42 G CA 0.336 45.386 45.100 -0.082 0.000 0.780 42 G HN 0.153 nan 8.290 nan 0.000 0.537 43 L N 0.121 121.262 121.223 -0.136 0.000 2.492 43 L HA 0.102 4.442 4.340 -0.000 0.000 0.223 43 L C 2.602 179.354 176.870 -0.197 0.000 1.132 43 L CA 0.776 55.537 54.840 -0.131 0.000 0.850 43 L CB 0.147 42.151 42.059 -0.093 0.000 0.966 43 L HN 0.188 nan 8.230 nan 0.000 0.454 44 T N -1.125 113.225 114.554 -0.339 0.000 2.999 44 T HA 0.157 4.507 4.350 -0.000 0.000 0.247 44 T C 0.668 175.141 174.700 -0.379 0.000 1.012 44 T CA -0.142 61.674 62.100 -0.474 0.000 1.048 44 T CB 0.520 68.812 68.868 -0.960 0.000 1.020 44 T HN 0.021 nan 8.240 nan 0.000 0.478 45 L N 1.117 122.171 121.223 -0.281 0.000 4.406 45 L HA -0.120 4.220 4.340 -0.000 0.000 0.406 45 L C 0.459 177.229 176.870 -0.166 0.000 1.133 45 L CA 0.686 55.421 54.840 -0.175 0.000 0.974 45 L CB -1.812 40.176 42.059 -0.119 0.000 2.152 45 L HN 0.241 nan 8.230 nan 0.000 0.736 46 R N -0.465 119.899 120.500 -0.227 0.000 2.549 46 R HA 0.743 5.083 4.340 -0.000 0.000 0.259 46 R C 0.970 177.255 176.300 -0.026 0.000 1.095 46 R CA 0.159 56.193 56.100 -0.109 0.000 1.148 46 R CB 0.949 31.195 30.300 -0.090 0.000 1.181 46 R HN 0.187 nan 8.270 nan 0.000 0.571 47 G N 0.681 109.501 108.800 0.033 0.000 4.713 47 G HA2 0.298 4.258 3.960 -0.000 0.000 0.318 47 G HA3 0.298 4.258 3.960 -0.000 0.000 0.318 47 G C -0.486 174.450 174.900 0.059 0.000 1.435 47 G CA -0.320 44.802 45.100 0.037 0.000 0.965 47 G HN 0.228 nan 8.290 nan 0.000 0.542 48 V N 1.368 121.339 119.914 0.095 0.000 2.637 48 V HA 0.300 4.420 4.120 -0.000 0.000 0.296 48 V C 0.815 176.937 176.094 0.045 0.000 1.046 48 V CA 0.213 62.562 62.300 0.081 0.000 1.066 48 V CB 1.108 33.001 31.823 0.117 0.000 0.968 48 V HN 0.477 nan 8.190 nan 0.000 0.483 49 T N 5.626 120.193 114.554 0.022 0.000 2.934 49 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 49 T C 1.137 175.839 174.700 0.004 0.000 1.005 49 T CA -0.573 61.534 62.100 0.012 0.000 1.041 49 T CB 1.482 70.353 68.868 0.004 0.000 1.042 49 T HN 0.516 nan 8.240 nan 0.000 0.505 50 M N 0.316 119.917 119.600 0.002 0.000 2.349 50 M HA 0.117 4.597 4.480 -0.000 0.000 0.266 50 M C 1.102 177.396 176.300 -0.009 0.000 1.076 50 M CA 1.150 56.448 55.300 -0.004 0.000 1.126 50 M CB 0.060 32.659 32.600 -0.002 0.000 1.392 50 M HN 0.274 nan 8.290 nan 0.000 0.440 51 R N 1.164 121.659 120.500 -0.009 0.000 2.443 51 R HA 0.316 4.656 4.340 -0.000 0.000 0.287 51 R C -2.772 173.520 176.300 -0.014 0.000 1.425 51 R CA -1.692 54.401 56.100 -0.012 0.000 1.300 51 R CB 0.661 30.955 30.300 -0.011 0.000 1.129 51 R HN -0.120 nan 8.270 nan 0.000 0.577 52 P HA 0.150 nan 4.420 nan 0.000 0.271 52 P C -0.113 177.171 177.300 -0.025 0.000 1.216 52 P CA -0.148 62.938 63.100 -0.023 0.000 0.771 52 P CB 1.634 33.315 31.700 -0.033 0.000 0.864 53 T N -1.885 112.655 114.554 -0.023 0.000 3.221 53 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 53 T C 0.874 175.559 174.700 -0.026 0.000 0.988 53 T CA 0.137 62.223 62.100 -0.023 0.000 1.163 53 T CB -0.741 68.117 68.868 -0.016 0.000 1.098 53 T HN 0.436 nan 8.240 nan 0.000 0.422 54 S N 1.954 117.641 115.700 -0.021 0.000 2.600 54 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 54 S C 1.264 175.846 174.600 -0.031 0.000 1.325 54 S CA -0.574 57.614 58.200 -0.020 0.000 1.002 54 S CB 0.835 64.029 63.200 -0.010 0.000 0.921 54 S HN 0.338 nan 8.310 nan 0.000 0.554 55 L N 1.713 122.918 121.223 -0.029 0.000 2.083 55 L HA 0.054 4.393 4.340 -0.000 0.000 0.209 55 L C 2.541 179.387 176.870 -0.040 0.000 1.083 55 L CA 2.376 57.192 54.840 -0.040 0.000 0.752 55 L CB -1.497 40.547 42.059 -0.024 0.000 0.899 55 L HN 0.925 nan 8.230 nan 0.000 0.433 56 A N -1.102 121.708 122.820 -0.016 0.000 1.972 56 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 56 A C 2.201 179.770 177.584 -0.025 0.000 1.169 56 A CA 1.861 53.895 52.037 -0.005 0.000 0.635 56 A CB -0.528 18.484 19.000 0.020 0.000 0.810 56 A HN 0.692 nan 8.150 nan 0.000 0.446 57 Q N -0.958 118.825 119.800 -0.028 0.000 2.123 57 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 57 Q C 2.333 178.297 176.000 -0.060 0.000 0.966 57 Q CA 1.012 56.797 55.803 -0.030 0.000 0.845 57 Q CB -0.087 28.639 28.738 -0.019 0.000 0.907 57 Q HN 0.612 nan 8.270 nan 0.000 0.439 58 R N 0.452 120.904 120.500 -0.079 0.000 2.075 58 R HA -0.069 4.270 4.340 -0.000 0.000 0.232 58 R C 1.897 178.095 176.300 -0.170 0.000 1.126 58 R CA 1.163 57.201 56.100 -0.103 0.000 0.963 58 R CB -0.153 30.082 30.300 -0.108 0.000 0.858 58 R HN 0.247 nan 8.270 nan 0.000 0.435 59 N N 0.897 119.449 118.700 -0.248 0.000 2.069 59 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 59 N C 1.668 176.712 175.510 -0.777 0.000 1.031 59 N CA 1.305 54.012 53.050 -0.571 0.000 0.852 59 N CB -0.251 37.952 38.487 -0.473 0.000 1.018 59 N HN 0.227 nan 8.380 nan 0.000 0.423 60 E N 0.589 120.602 120.200 -0.313 0.000 2.085 60 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 60 E C 2.001 178.575 176.600 -0.043 0.000 0.994 60 E CA 0.957 57.318 56.400 -0.065 0.000 0.801 60 E CB -0.126 29.599 29.700 0.041 0.000 0.743 60 E HN 0.326 nan 8.360 nan 0.000 0.453 61 M N -0.856 118.694 119.600 -0.082 0.000 2.132 61 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 61 M C 1.810 178.048 176.300 -0.103 0.000 1.065 61 M CA 1.291 56.547 55.300 -0.074 0.000 1.122 61 M CB -0.136 32.431 32.600 -0.055 0.000 1.365 61 M HN 0.259 nan 8.290 nan 0.000 0.411 62 F N 0.792 120.598 119.950 -0.240 0.000 2.134 62 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 62 F C 1.431 177.169 175.800 -0.104 0.000 1.097 62 F CA 1.636 59.511 58.000 -0.208 0.000 1.264 62 F CB -0.437 38.389 39.000 -0.290 0.000 1.001 62 F HN 0.118 nan 8.300 nan 0.000 0.479 63 F N -0.039 119.801 119.950 -0.183 0.000 2.269 63 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 63 F C 2.535 178.250 175.800 -0.142 0.000 1.082 63 F CA 1.251 59.137 58.000 -0.191 0.000 1.360 63 F CB -1.351 37.719 39.000 0.115 0.000 1.041 63 F HN 0.118 nan 8.300 nan 0.000 0.512 64 M N -1.091 118.482 119.600 -0.045 0.000 2.132 64 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 64 M C 2.183 178.261 176.300 -0.369 0.000 1.065 64 M CA 1.720 56.783 55.300 -0.395 0.000 1.122 64 M CB -0.454 31.740 32.600 -0.677 0.000 1.365 64 M HN 0.178 nan 8.290 nan 0.000 0.411 65 C N 0.405 119.497 119.300 -0.346 0.000 2.446 65 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 65 C C 2.576 177.375 174.990 -0.319 0.000 1.275 65 C CA 0.585 59.411 59.018 -0.321 0.000 1.727 65 C CB -1.216 26.323 27.740 -0.336 0.000 2.010 65 C HN 0.671 nan 8.230 nan 0.000 0.486 66 L N 1.439 122.374 121.223 -0.480 0.000 2.012 66 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 66 L C 2.020 178.824 176.870 -0.109 0.000 1.073 66 L CA 2.081 56.697 54.840 -0.373 0.000 0.748 66 L CB -1.092 40.617 42.059 -0.584 0.000 0.891 66 L HN 0.269 nan 8.230 nan 0.000 0.431 67 D N -0.881 119.531 120.400 0.020 0.000 2.123 67 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 67 D C 2.264 178.607 176.300 0.072 0.000 0.992 67 D CA 1.716 55.811 54.000 0.158 0.000 0.833 67 D CB -0.094 40.893 40.800 0.313 0.000 0.954 67 D HN 0.396 nan 8.370 nan 0.000 0.455 68 M N -0.419 119.174 119.600 -0.012 0.000 2.175 68 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 68 M C 2.229 178.516 176.300 -0.022 0.000 1.063 68 M CA 0.877 56.165 55.300 -0.021 0.000 1.119 68 M CB -0.170 32.383 32.600 -0.077 0.000 1.377 68 M HN 0.039 nan 8.290 nan 0.000 0.415 69 M N 1.025 120.598 119.600 -0.045 0.000 2.067 69 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 69 M C 1.975 178.266 176.300 -0.015 0.000 1.069 69 M CA 1.953 57.233 55.300 -0.033 0.000 1.117 69 M CB -0.598 31.976 32.600 -0.043 0.000 1.334 69 M HN 0.276 nan 8.290 nan 0.000 0.407 70 L N -0.449 120.773 121.223 -0.002 0.000 2.046 70 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 70 L C 2.428 179.308 176.870 0.016 0.000 1.077 70 L CA 1.296 56.144 54.840 0.013 0.000 0.747 70 L CB -0.873 41.211 42.059 0.042 0.000 0.896 70 L HN 0.289 nan 8.230 nan 0.000 0.432 71 S N -0.039 115.677 115.700 0.027 0.000 2.368 71 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 71 S C 2.204 176.809 174.600 0.009 0.000 1.029 71 S CA 1.136 59.352 58.200 0.026 0.000 0.988 71 S CB -0.247 62.980 63.200 0.046 0.000 0.838 71 S HN 0.489 nan 8.310 nan 0.000 0.462 72 A N 1.245 124.065 122.820 0.001 0.000 1.969 72 A HA 0.241 4.561 4.320 -0.000 0.000 0.218 72 A C 2.204 179.777 177.584 -0.019 0.000 1.169 72 A CA 1.456 53.485 52.037 -0.013 0.000 0.635 72 A CB -0.727 18.259 19.000 -0.022 0.000 0.810 72 A HN 0.500 nan 8.150 nan 0.000 0.445 73 A N -1.831 120.979 122.820 -0.016 0.000 2.123 73 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 73 A C 1.838 179.414 177.584 -0.014 0.000 1.152 73 A CA 1.269 53.295 52.037 -0.020 0.000 0.728 73 A CB -0.823 18.165 19.000 -0.020 0.000 0.814 73 A HN 1.868 nan 8.150 nan 0.000 0.464 74 G N -0.966 107.830 108.800 -0.007 0.000 2.147 74 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 74 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 74 G C 0.037 174.935 174.900 -0.003 0.000 1.005 74 G CA 0.376 45.473 45.100 -0.004 0.000 0.713 74 G HN 0.473 nan 8.290 nan 0.000 0.515 75 I N 0.205 120.774 120.570 -0.001 0.000 2.498 75 I HA 0.338 4.508 4.170 -0.000 0.000 0.301 75 I C 0.420 176.540 176.117 0.005 0.000 0.984 75 I CA -0.781 60.518 61.300 -0.001 0.000 1.204 75 I CB 1.822 39.819 38.000 -0.005 0.000 1.362 75 I HN 0.212 nan 8.210 nan 0.000 0.471 76 N N 4.370 123.071 118.700 0.002 0.000 2.569 76 N HA 0.229 4.969 4.740 -0.000 0.000 0.254 76 N C 0.671 176.183 175.510 0.003 0.000 1.004 76 N CA -0.446 52.604 53.050 0.001 0.000 0.904 76 N CB 1.498 39.980 38.487 -0.009 0.000 1.165 76 N HN 0.507 nan 8.380 nan 0.000 0.513 77 V N 1.808 121.734 119.914 0.019 0.000 2.594 77 V HA 0.192 4.311 4.120 -0.000 0.000 0.253 77 V C 1.323 177.428 176.094 0.018 0.000 1.069 77 V CA 1.073 63.388 62.300 0.025 0.000 1.082 77 V CB -1.757 30.105 31.823 0.064 0.000 0.680 77 V HN 0.864 nan 8.190 nan 0.000 0.469 78 G N 1.008 109.811 108.800 0.004 0.000 2.757 78 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.638 78 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.638 78 G C -2.443 172.462 174.900 0.007 0.000 1.344 78 G CA -0.330 44.768 45.100 -0.002 0.000 0.855 78 G HN 0.551 nan 8.290 nan 0.000 0.537 79 P HA 0.253 nan 4.420 nan 0.000 0.256 79 P C 1.218 178.598 177.300 0.133 0.000 1.688 79 P CA 0.083 63.214 63.100 0.051 0.000 1.162 79 P CB -0.640 31.096 31.700 0.060 0.000 1.870 80 I N -0.645 119.977 120.570 0.088 0.000 3.860 80 I HA 0.244 4.414 4.170 -0.000 0.000 0.319 80 I C 0.373 176.435 176.117 -0.091 0.000 1.279 80 I CA -0.065 61.283 61.300 0.080 0.000 1.220 80 I CB 0.257 38.304 38.000 0.077 0.000 1.027 80 I HN 0.109 nan 8.210 nan 0.000 0.428 81 S N 1.345 116.964 115.700 -0.136 0.000 2.533 81 S HA 0.501 4.971 4.470 -0.000 0.000 0.271 81 S C -2.275 172.210 174.600 -0.192 0.000 1.143 81 S CA -0.859 57.192 58.200 -0.248 0.000 0.891 81 S CB 1.919 65.173 63.200 0.090 0.000 1.105 81 S HN -0.009 nan 8.310 nan 0.000 0.468 82 P HA 0.189 nan 4.420 nan 0.000 0.240 82 P C 0.001 177.311 177.300 0.017 0.000 1.190 82 P CA 0.607 63.697 63.100 -0.018 0.000 0.781 82 P CB 0.205 31.933 31.700 0.048 0.000 0.931 83 D N -1.855 118.575 120.400 0.050 0.000 2.388 83 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 83 D C 0.148 176.396 176.300 -0.087 0.000 1.035 83 D CA 0.486 54.545 54.000 0.097 0.000 0.875 83 D CB 0.025 41.004 40.800 0.298 0.000 0.984 83 D HN 0.221 nan 8.370 nan 0.000 0.508 84 Y N 0.695 120.777 120.300 -0.363 0.000 2.425 84 Y HA 0.473 5.023 4.550 -0.000 0.000 0.344 84 Y C -1.243 174.430 175.900 -0.380 0.000 0.969 84 Y CA -0.567 57.120 58.100 -0.690 0.000 1.052 84 Y CB 1.930 39.748 38.460 -1.070 0.000 1.215 84 Y HN -0.361 nan 8.280 nan 0.000 0.451 85 T N 6.384 120.253 114.554 -1.141 0.000 2.881 85 T HA 0.196 4.546 4.350 -0.000 0.000 0.291 85 T C -1.029 172.837 174.700 -1.390 0.000 0.990 85 T CA -0.722 60.776 62.100 -1.003 0.000 0.976 85 T CB 1.307 69.834 68.868 -0.568 0.000 0.970 85 T HN 0.746 nan 8.240 nan 0.000 0.438 86 Q N 2.967 122.087 119.800 -1.133 0.000 2.311 86 Q HA 0.038 4.378 4.340 -0.000 0.000 0.272 86 Q C -0.680 174.959 176.000 -0.602 0.000 1.012 86 Q CA 0.046 55.450 55.803 -0.665 0.000 0.891 86 Q CB 0.420 29.030 28.738 -0.212 0.000 1.201 86 Q HN 0.617 nan 8.270 nan 0.000 0.391 87 H N 6.472 125.475 119.070 -0.111 0.000 2.685 87 H HA 0.111 4.667 4.556 -0.000 0.000 0.286 87 H C 0.565 175.882 175.328 -0.019 0.000 1.102 87 H CA -0.487 55.520 56.048 -0.068 0.000 1.254 87 H CB 1.092 30.821 29.762 -0.055 0.000 1.397 87 H HN 0.752 nan 8.280 nan 0.000 0.473 88 M N 1.413 121.019 119.600 0.010 0.000 2.358 88 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 88 M C 2.146 178.470 176.300 0.041 0.000 1.064 88 M CA 0.667 55.978 55.300 0.018 0.000 1.093 88 M CB -0.959 31.633 32.600 -0.013 0.000 1.401 88 M HN 0.582 nan 8.290 nan 0.000 0.440 89 A N 0.101 122.951 122.820 0.049 0.000 2.178 89 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 89 A C 2.200 179.813 177.584 0.049 0.000 1.157 89 A CA 1.628 53.683 52.037 0.031 0.000 0.689 89 A CB -1.043 17.958 19.000 0.002 0.000 0.787 89 A HN 0.490 nan 8.150 nan 0.000 0.465 90 T N 0.235 114.849 114.554 0.099 0.000 2.778 90 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 90 T C 1.708 176.470 174.700 0.102 0.000 1.050 90 T CA 1.531 63.722 62.100 0.152 0.000 1.137 90 T CB -0.372 68.631 68.868 0.226 0.000 0.860 90 T HN 0.486 nan 8.240 nan 0.000 0.468 91 I N 1.689 122.300 120.570 0.068 0.000 2.264 91 I HA -0.042 4.128 4.170 -0.000 0.000 0.248 91 I C 2.395 178.537 176.117 0.042 0.000 1.111 91 I CA 1.218 62.545 61.300 0.046 0.000 1.382 91 I CB -0.757 37.261 38.000 0.030 0.000 1.060 91 I HN 0.230 nan 8.210 nan 0.000 0.418 92 G N -0.511 108.313 108.800 0.039 0.000 2.408 92 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 92 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 92 G C 1.648 176.574 174.900 0.042 0.000 1.150 92 G CA 0.953 46.072 45.100 0.031 0.000 0.776 92 G HN 0.352 nan 8.290 nan 0.000 0.542 93 V N 0.926 120.876 119.914 0.061 0.000 2.261 93 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 93 V C 2.744 178.884 176.094 0.076 0.000 1.047 93 V CA 1.153 63.503 62.300 0.083 0.000 1.015 93 V CB -0.460 31.455 31.823 0.153 0.000 0.642 93 V HN 0.218 nan 8.190 nan 0.000 0.446 94 L N 0.259 121.526 121.223 0.073 0.000 2.265 94 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 94 L C 2.241 179.143 176.870 0.053 0.000 1.117 94 L CA 1.877 56.753 54.840 0.059 0.000 0.782 94 L CB -1.409 40.677 42.059 0.046 0.000 0.914 94 L HN 0.357 nan 8.230 nan 0.000 0.441 95 A N -2.160 120.688 122.820 0.047 0.000 2.275 95 A HA 0.101 4.421 4.320 -0.000 0.000 0.212 95 A C 0.981 178.593 177.584 0.046 0.000 1.201 95 A CA 0.022 52.084 52.037 0.042 0.000 0.843 95 A CB -0.617 18.401 19.000 0.030 0.000 0.873 95 A HN 0.275 nan 8.150 nan 0.000 0.492 96 T N 3.218 117.802 114.554 0.050 0.000 2.738 96 T HA 0.234 4.584 4.350 -0.000 0.000 0.293 96 T C -1.498 173.234 174.700 0.053 0.000 0.913 96 T CA -0.719 61.407 62.100 0.044 0.000 1.103 96 T CB 0.997 69.891 68.868 0.042 0.000 0.880 96 T HN 0.261 nan 8.240 nan 0.000 0.526 97 P HA -0.047 nan 4.420 nan 0.000 0.231 97 P C 0.655 177.971 177.300 0.028 0.000 1.158 97 P CA 0.792 63.922 63.100 0.049 0.000 0.763 97 P CB 0.416 32.139 31.700 0.039 0.000 0.805 98 E N -0.361 119.852 120.200 0.022 0.000 2.385 98 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 98 E C 0.870 177.473 176.600 0.003 0.000 1.013 98 E CA 0.117 56.520 56.400 0.005 0.000 0.866 98 E CB -0.295 29.408 29.700 0.005 0.000 0.832 98 E HN 0.348 nan 8.360 nan 0.000 0.500 99 I N 3.898 124.484 120.570 0.026 0.000 2.379 99 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 99 I C -2.030 174.101 176.117 0.024 0.000 1.063 99 I CA -1.955 59.364 61.300 0.031 0.000 1.351 99 I CB 0.500 38.535 38.000 0.058 0.000 1.410 99 I HN -0.110 nan 8.210 nan 0.000 0.505 100 P HA 0.278 nan 4.420 nan 0.000 0.279 100 P C -1.093 176.183 177.300 -0.041 0.000 1.252 100 P CA -0.218 62.800 63.100 -0.136 0.000 0.811 100 P CB 0.942 32.551 31.700 -0.152 0.000 1.035 101 F N -1.653 118.298 119.950 0.002 0.000 2.538 101 F HA 0.662 5.189 4.527 -0.000 0.000 0.325 101 F C 0.398 176.200 175.800 0.002 0.000 1.066 101 F CA -1.145 56.856 58.000 0.001 0.000 0.946 101 F CB 0.301 39.303 39.000 0.003 0.000 1.199 101 F HN 0.269 nan 8.300 nan 0.000 0.473 102 T N -1.887 112.805 114.554 0.229 0.000 2.849 102 T HA 0.203 4.552 4.350 -0.000 0.000 0.284 102 T C 0.929 175.751 174.700 0.203 0.000 1.004 102 T CA -0.114 62.068 62.100 0.136 0.000 1.021 102 T CB 1.144 70.065 68.868 0.089 0.000 1.013 102 T HN 0.745 nan 8.240 nan 0.000 0.527 103 T N 1.337 115.961 114.554 0.117 0.000 2.720 103 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 103 T C 1.781 176.542 174.700 0.103 0.000 1.037 103 T CA 1.918 64.085 62.100 0.113 0.000 1.144 103 T CB -0.440 68.464 68.868 0.059 0.000 0.864 103 T HN 0.739 nan 8.240 nan 0.000 0.444 104 E N 1.448 121.696 120.200 0.080 0.000 2.038 104 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 104 E C 2.436 179.080 176.600 0.073 0.000 1.000 104 E CA 1.340 57.779 56.400 0.065 0.000 0.803 104 E CB -0.771 28.962 29.700 0.053 0.000 0.750 104 E HN 0.489 nan 8.360 nan 0.000 0.448 105 A N 0.952 123.824 122.820 0.087 0.000 1.902 105 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 105 A C 2.364 179.960 177.584 0.019 0.000 1.181 105 A CA 2.135 54.208 52.037 0.060 0.000 0.623 105 A CB -0.926 18.117 19.000 0.072 0.000 0.818 105 A HN 0.278 nan 8.150 nan 0.000 0.443 106 A N 0.263 123.121 122.820 0.064 0.000 1.858 106 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 106 A C 1.996 179.581 177.584 0.001 0.000 1.190 106 A CA 1.636 53.663 52.037 -0.017 0.000 0.617 106 A CB -0.711 18.404 19.000 0.192 0.000 0.827 106 A HN 0.617 nan 8.150 nan 0.000 0.443 107 N N -0.547 118.181 118.700 0.046 0.000 2.166 107 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 107 N C 1.858 177.396 175.510 0.047 0.000 1.019 107 N CA 1.537 54.610 53.050 0.038 0.000 0.856 107 N CB -0.189 38.322 38.487 0.039 0.000 0.993 107 N HN 0.815 nan 8.380 nan 0.000 0.426 108 E N 1.007 121.247 120.200 0.066 0.000 2.072 108 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 108 E C 1.823 178.489 176.600 0.111 0.000 0.985 108 E CA 0.781 57.262 56.400 0.134 0.000 0.801 108 E CB 0.112 29.897 29.700 0.141 0.000 0.750 108 E HN 0.116 nan 8.360 nan 0.000 0.452 109 I N 1.495 122.076 120.570 0.018 0.000 2.315 109 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 109 I C 2.574 178.681 176.117 -0.016 0.000 1.117 109 I CA 1.219 62.502 61.300 -0.029 0.000 1.404 109 I CB -1.603 36.337 38.000 -0.101 0.000 1.071 109 I HN 0.211 nan 8.210 nan 0.000 0.419 110 A N 0.806 123.620 122.820 -0.009 0.000 1.933 110 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 110 A C 2.461 180.055 177.584 0.017 0.000 1.175 110 A CA 1.803 53.837 52.037 -0.006 0.000 0.628 110 A CB -0.513 18.486 19.000 -0.001 0.000 0.814 110 A HN 0.275 nan 8.150 nan 0.000 0.444 111 R N -0.142 120.392 120.500 0.057 0.000 2.070 111 R HA -0.079 4.260 4.340 -0.000 0.000 0.233 111 R C 1.917 178.286 176.300 0.116 0.000 1.137 111 R CA 2.042 58.196 56.100 0.090 0.000 0.945 111 R CB -1.138 29.244 30.300 0.137 0.000 0.845 111 R HN 0.237 nan 8.270 nan 0.000 0.430 112 V N 0.129 120.122 119.914 0.132 0.000 2.282 112 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 112 V C 2.137 178.226 176.094 -0.009 0.000 1.057 112 V CA 2.494 64.817 62.300 0.039 0.000 1.032 112 V CB -0.781 31.003 31.823 -0.065 0.000 0.645 112 V HN 0.489 nan 8.190 nan 0.000 0.447 113 T N -0.053 114.489 114.554 -0.020 0.000 2.737 113 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 113 T C 1.881 176.552 174.700 -0.049 0.000 1.038 113 T CA 1.469 63.544 62.100 -0.043 0.000 1.144 113 T CB -0.612 68.230 68.868 -0.044 0.000 0.866 113 T HN 0.632 nan 8.240 nan 0.000 0.434 114 G N 1.936 110.717 108.800 -0.031 0.000 2.421 114 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 114 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 114 G C 1.465 176.328 174.900 -0.062 0.000 1.171 114 G CA 1.442 46.518 45.100 -0.040 0.000 0.775 114 G HN 0.679 nan 8.290 nan 0.000 0.543 115 E N -0.387 119.788 120.200 -0.041 0.000 2.107 115 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 115 E C 2.191 178.714 176.600 -0.127 0.000 0.982 115 E CA 1.585 57.948 56.400 -0.061 0.000 0.809 115 E CB -1.035 28.659 29.700 -0.009 0.000 0.756 115 E HN 0.188 nan 8.360 nan 0.000 0.459 116 T N -0.015 114.472 114.554 -0.112 0.000 2.881 116 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 116 T C 1.673 176.221 174.700 -0.253 0.000 1.068 116 T CA 1.534 63.543 62.100 -0.151 0.000 1.131 116 T CB -0.390 68.421 68.868 -0.095 0.000 0.871 116 T HN 0.465 nan 8.240 nan 0.000 0.479 117 S N -0.790 114.761 115.700 -0.249 0.000 2.575 117 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 117 S C 0.839 175.128 174.600 -0.517 0.000 0.966 117 S CA -0.212 57.805 58.200 -0.305 0.000 0.911 117 S CB 0.257 63.355 63.200 -0.170 0.000 0.780 117 S HN 0.321 nan 8.310 nan 0.000 0.514 118 T N 0.012 114.205 114.554 -0.602 0.000 2.604 118 T HA 0.605 4.955 4.350 -0.000 0.000 0.267 118 T C -1.958 172.183 174.700 -0.933 0.000 0.923 118 T CA -0.785 60.890 62.100 -0.709 0.000 1.077 118 T CB 0.984 69.726 68.868 -0.210 0.000 1.392 118 T HN 0.433 nan 8.240 nan 0.000 0.531 119 W N -0.237 121.070 121.300 0.012 0.000 3.033 119 W HA 0.639 5.299 4.660 -0.000 0.000 0.336 119 W C -0.148 176.379 176.519 0.012 0.000 1.173 119 W CA -0.956 56.396 57.345 0.012 0.000 1.185 119 W CB 1.700 31.166 29.460 0.010 0.000 1.425 119 W HN 1.024 nan 8.180 nan 0.000 0.536 120 G N 1.917 110.845 108.800 0.214 0.000 2.673 120 G HA2 0.572 4.532 3.960 -0.000 0.000 0.292 120 G HA3 0.572 4.532 3.960 -0.000 0.000 0.292 120 G C -3.087 171.880 174.900 0.112 0.000 1.450 120 G CA -0.979 44.200 45.100 0.132 0.000 0.837 120 G HN 0.005 nan 8.290 nan 0.000 0.505 121 P HA 0.476 nan 4.420 nan 0.000 0.271 121 P C -0.464 176.870 177.300 0.058 0.000 1.216 121 P CA 0.075 63.224 63.100 0.081 0.000 0.771 121 P CB 1.677 33.428 31.700 0.086 0.000 0.864 122 A N 3.286 126.132 122.820 0.044 0.000 2.517 122 A HA 0.427 4.747 4.320 -0.000 0.000 0.297 122 A C -0.277 177.291 177.584 -0.027 0.000 1.050 122 A CA -0.905 51.135 52.037 0.005 0.000 0.694 122 A CB 1.292 20.289 19.000 -0.006 0.000 1.277 122 A HN 0.434 nan 8.150 nan 0.000 0.400 123 R N 1.860 122.332 120.500 -0.048 0.000 2.446 123 R HA 0.120 4.460 4.340 -0.000 0.000 0.314 123 R C -0.165 176.033 176.300 -0.171 0.000 1.003 123 R CA 0.068 56.121 56.100 -0.077 0.000 1.018 123 R CB 0.329 30.530 30.300 -0.166 0.000 0.945 123 R HN 0.670 nan 8.270 nan 0.000 0.419 124 Q N 4.370 123.971 119.800 -0.330 0.000 2.354 124 Q HA 0.083 4.423 4.340 -0.000 0.000 0.244 124 Q C -1.281 174.553 176.000 -0.277 0.000 0.969 124 Q CA -1.533 54.037 55.803 -0.388 0.000 0.885 124 Q CB 0.632 28.933 28.738 -0.727 0.000 1.241 124 Q HN 0.476 nan 8.270 nan 0.000 0.461 125 P HA -0.106 nan 4.420 nan 0.000 0.217 125 P C -0.252 176.884 177.300 -0.275 0.000 1.151 125 P CA 1.450 64.292 63.100 -0.430 0.000 0.828 125 P CB 0.280 31.485 31.700 -0.824 0.000 0.788 126 Y N 0.012 120.399 120.300 0.146 0.000 2.618 126 Y HA 0.589 5.139 4.550 -0.000 0.000 0.326 126 Y C 1.631 177.702 175.900 0.285 0.000 1.168 126 Y CA -1.478 56.733 58.100 0.185 0.000 1.269 126 Y CB -0.538 38.020 38.460 0.164 0.000 1.388 126 Y HN -0.178 nan 8.280 nan 0.000 0.528 127 G N -0.084 108.984 108.800 0.447 0.000 2.432 127 G HA2 0.011 3.971 3.960 -0.000 0.000 0.239 127 G HA3 0.011 3.971 3.960 -0.000 0.000 0.239 127 G C 0.383 175.487 174.900 0.340 0.000 1.291 127 G CA -0.246 45.085 45.100 0.386 0.000 0.863 127 G HN 0.739 nan 8.290 nan 0.000 0.560 128 F N 1.647 121.654 119.950 0.096 0.000 2.192 128 F HA -0.040 4.487 4.527 -0.000 0.000 0.301 128 F C 1.425 176.925 175.800 -0.500 0.000 1.079 128 F CA 1.193 58.963 58.000 -0.385 0.000 1.303 128 F CB 0.090 38.721 39.000 -0.615 0.000 1.024 128 F HN 0.355 nan 8.300 nan 0.000 0.494 129 F N -0.600 119.469 119.950 0.199 0.000 2.750 129 F HA 0.202 4.729 4.527 -0.000 0.000 0.297 129 F C 1.275 177.112 175.800 0.062 0.000 1.138 129 F CA -0.339 57.718 58.000 0.094 0.000 1.346 129 F CB -0.365 38.708 39.000 0.122 0.000 0.965 129 F HN -0.113 nan 8.300 nan 0.000 0.514 130 L N 0.484 121.812 121.223 0.175 0.000 2.079 130 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 130 L C 1.149 178.076 176.870 0.095 0.000 1.081 130 L CA 1.977 56.899 54.840 0.136 0.000 0.752 130 L CB -0.197 41.938 42.059 0.126 0.000 0.896 130 L HN 0.108 nan 8.230 nan 0.000 0.433 131 E N 0.519 120.765 120.200 0.075 0.000 2.280 131 E HA 0.152 4.502 4.350 -0.000 0.000 0.279 131 E C -0.404 176.237 176.600 0.067 0.000 1.325 131 E CA -0.013 56.420 56.400 0.056 0.000 1.486 131 E CB -0.220 29.499 29.700 0.033 0.000 1.466 131 E HN 0.418 nan 8.360 nan 0.000 0.473 132 T N -2.629 111.976 114.554 0.086 0.000 2.856 132 T HA 0.295 4.644 4.350 -0.000 0.000 0.283 132 T C 0.768 175.495 174.700 0.045 0.000 1.008 132 T CA -0.867 61.281 62.100 0.080 0.000 0.997 132 T CB 2.115 71.046 68.868 0.106 0.000 0.992 132 T HN 0.069 nan 8.240 nan 0.000 0.454 133 E N 0.810 121.028 120.200 0.030 0.000 2.318 133 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 133 E C 0.171 176.768 176.600 -0.006 0.000 0.998 133 E CA 0.565 56.972 56.400 0.011 0.000 0.859 133 E CB 0.388 30.093 29.700 0.008 0.000 0.812 133 E HN 0.716 nan 8.360 nan 0.000 0.492 134 E N -0.033 120.166 120.200 -0.000 0.000 2.312 134 E HA 0.388 4.738 4.350 -0.000 0.000 0.267 134 E C -0.870 175.728 176.600 -0.004 0.000 0.894 134 E CA -0.456 55.924 56.400 -0.034 0.000 0.773 134 E CB 2.506 32.188 29.700 -0.029 0.000 1.241 134 E HN -0.186 nan 8.360 nan 0.000 0.432 135 T N 1.013 115.528 114.554 -0.065 0.000 2.900 135 T HA 0.595 4.945 4.350 -0.000 0.000 0.303 135 T C -1.808 172.820 174.700 -0.120 0.000 1.142 135 T CA -0.586 61.520 62.100 0.009 0.000 1.007 135 T CB 0.529 69.392 68.868 -0.008 0.000 1.156 135 T HN 0.256 nan 8.240 nan 0.000 0.490 136 F N 2.490 122.332 119.950 -0.179 0.000 2.469 136 F HA 0.482 5.009 4.527 -0.000 0.000 0.332 136 F C 0.716 176.447 175.800 -0.115 0.000 1.103 136 F CA -0.866 57.018 58.000 -0.193 0.000 0.979 136 F CB 1.726 40.553 39.000 -0.288 0.000 1.137 136 F HN 0.523 nan 8.300 nan 0.000 0.463 137 Q N 5.708 125.525 119.800 0.028 0.000 2.269 137 Q HA 0.028 4.367 4.340 -0.000 0.000 0.300 137 Q C -2.277 173.771 176.000 0.081 0.000 1.070 137 Q CA -1.316 54.515 55.803 0.046 0.000 0.957 137 Q CB 0.541 29.308 28.738 0.048 0.000 1.131 137 Q HN 0.205 nan 8.270 nan 0.000 0.377 138 P HA 0.010 nan 4.420 nan 0.000 0.267 138 P C 0.200 177.553 177.300 0.088 0.000 1.205 138 P CA 0.950 64.087 63.100 0.061 0.000 0.765 138 P CB 0.646 32.377 31.700 0.051 0.000 0.828 139 G N 2.276 111.131 108.800 0.091 0.000 2.143 139 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 139 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 139 G C 0.158 175.201 174.900 0.238 0.000 0.991 139 G CA 0.154 45.343 45.100 0.148 0.000 0.689 139 G HN 0.831 nan 8.290 nan 0.000 0.522 140 R N -0.140 120.491 120.500 0.218 0.000 2.437 140 R HA 0.440 4.780 4.340 -0.000 0.000 0.310 140 R C 0.473 176.978 176.300 0.342 0.000 0.955 140 R CA -1.175 55.106 56.100 0.301 0.000 0.851 140 R CB 0.644 31.086 30.300 0.236 0.000 1.161 140 R HN 0.274 nan 8.270 nan 0.000 0.446 141 W N 6.658 128.117 121.300 0.265 0.000 2.231 141 W HA 0.105 4.764 4.660 -0.000 0.000 0.341 141 W C -1.654 175.031 176.519 0.276 0.000 1.298 141 W CA 0.550 58.030 57.345 0.225 0.000 1.266 141 W CB 0.414 30.043 29.460 0.282 0.000 1.172 141 W HN 0.594 nan 8.180 nan 0.000 0.568 142 F N 8.053 127.632 119.950 -0.619 0.000 2.749 142 F HA 0.306 4.833 4.527 -0.000 0.000 0.339 142 F C -1.710 173.739 175.800 -0.585 0.000 1.211 142 F CA -1.002 56.786 58.000 -0.353 0.000 1.099 142 F CB 0.736 39.702 39.000 -0.056 0.000 1.359 142 F HN 0.224 nan 8.300 nan 0.000 0.549 143 M N 6.594 125.683 119.600 -0.851 0.000 2.253 143 M HA 0.534 5.014 4.480 -0.000 0.000 0.314 143 M C -0.965 174.979 176.300 -0.593 0.000 1.019 143 M CA -0.388 54.571 55.300 -0.570 0.000 0.932 143 M CB 1.663 34.106 32.600 -0.261 0.000 1.606 143 M HN 0.647 nan 8.290 nan 0.000 0.430 144 R N 3.102 123.401 120.500 -0.335 0.000 2.438 144 R HA 0.649 4.989 4.340 -0.000 0.000 0.287 144 R C -0.445 175.777 176.300 -0.131 0.000 1.077 144 R CA 0.065 56.053 56.100 -0.188 0.000 1.034 144 R CB 0.689 30.980 30.300 -0.015 0.000 0.993 144 R HN 0.925 nan 8.270 nan 0.000 0.459 145 A N 3.385 126.146 122.820 -0.099 0.000 2.580 145 A HA 0.265 4.585 4.320 -0.000 0.000 0.244 145 A C 1.193 178.758 177.584 -0.032 0.000 1.045 145 A CA 0.982 52.986 52.037 -0.055 0.000 0.761 145 A CB -0.506 18.476 19.000 -0.031 0.000 0.962 145 A HN 1.307 nan 8.150 nan 0.000 0.512 146 A N 1.634 124.439 122.820 -0.024 0.000 3.526 146 A HA -0.170 4.150 4.320 -0.000 0.000 0.254 146 A C 0.463 178.037 177.584 -0.015 0.000 1.109 146 A CA 1.539 53.569 52.037 -0.013 0.000 1.395 146 A CB -2.252 16.743 19.000 -0.009 0.000 1.057 146 A HN 0.955 nan 8.150 nan 0.000 0.901 147 Q N -1.673 118.109 119.800 -0.029 0.000 2.215 147 Q HA 0.734 5.074 4.340 -0.000 0.000 0.256 147 Q C 1.064 177.048 176.000 -0.027 0.000 0.972 147 Q CA 0.012 55.795 55.803 -0.033 0.000 0.889 147 Q CB 1.631 30.337 28.738 -0.053 0.000 1.281 147 Q HN 0.907 nan 8.270 nan 0.000 0.456 148 A N 0.798 123.604 122.820 -0.023 0.000 2.140 148 A HA 0.234 4.554 4.320 -0.000 0.000 0.209 148 A C 0.217 177.780 177.584 -0.035 0.000 1.181 148 A CA 0.264 52.300 52.037 -0.002 0.000 0.824 148 A CB 0.678 19.685 19.000 0.012 0.000 0.879 148 A HN 0.441 nan 8.150 nan 0.000 0.480 149 V N -1.370 118.494 119.914 -0.084 0.000 2.638 149 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 149 V C -1.310 174.683 176.094 -0.168 0.000 1.052 149 V CA -0.115 62.100 62.300 -0.142 0.000 0.885 149 V CB 1.854 33.594 31.823 -0.138 0.000 0.999 149 V HN 0.037 nan 8.190 nan 0.000 0.424 150 T N 5.657 120.068 114.554 -0.239 0.000 2.949 150 T HA 0.787 5.137 4.350 -0.000 0.000 0.300 150 T C -0.165 174.372 174.700 -0.272 0.000 0.988 150 T CA 0.161 62.127 62.100 -0.224 0.000 0.993 150 T CB 1.312 70.058 68.868 -0.203 0.000 0.984 150 T HN 1.415 nan 8.240 nan 0.000 0.442 151 A N 2.971 125.638 122.820 -0.255 0.000 2.301 151 A HA 0.901 5.221 4.320 -0.000 0.000 0.312 151 A C -0.475 176.867 177.584 -0.403 0.000 1.182 151 A CA -0.575 51.281 52.037 -0.301 0.000 0.826 151 A CB 0.913 19.763 19.000 -0.249 0.000 1.134 151 A HN 0.689 nan 8.150 nan 0.000 0.501 152 V N 2.237 121.853 119.914 -0.496 0.000 3.087 152 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 152 V C -0.552 175.196 176.094 -0.577 0.000 1.187 152 V CA -0.439 61.436 62.300 -0.709 0.000 0.999 152 V CB 2.378 33.499 31.823 -1.170 0.000 1.049 152 V HN 1.349 nan 8.190 nan 0.000 0.431 153 V N 4.365 123.964 119.914 -0.526 0.000 2.498 153 V HA 0.399 4.519 4.120 -0.000 0.000 0.279 153 V C 0.661 176.634 176.094 -0.201 0.000 1.048 153 V CA 0.520 62.537 62.300 -0.472 0.000 0.967 153 V CB 0.816 32.259 31.823 -0.633 0.000 0.988 153 V HN 1.288 nan 8.190 nan 0.000 0.473 154 C N 3.264 122.465 119.300 -0.164 0.000 3.255 154 C HA 0.874 5.334 4.460 -0.000 0.000 0.282 154 C C 0.837 175.824 174.990 -0.005 0.000 1.441 154 C CA -0.040 58.955 59.018 -0.039 0.000 1.785 154 C CB -1.310 26.413 27.740 -0.027 0.000 2.583 154 C HN 1.485 nan 8.230 nan 0.000 0.615 155 G N 0.354 109.150 108.800 -0.006 0.000 2.506 155 G HA2 0.556 4.516 3.960 -0.000 0.000 0.292 155 G HA3 0.556 4.516 3.960 -0.000 0.000 0.292 155 G C -2.890 172.088 174.900 0.130 0.000 1.425 155 G CA -0.557 44.581 45.100 0.064 0.000 0.788 155 G HN -0.180 nan 8.290 nan 0.000 0.490 156 P HA 0.103 nan 4.420 nan 0.000 0.226 156 P C 0.375 177.911 177.300 0.394 0.000 1.153 156 P CA 1.424 64.677 63.100 0.257 0.000 0.777 156 P CB 0.298 32.113 31.700 0.192 0.000 0.794 157 D N -2.980 117.641 120.400 0.369 0.000 2.620 157 D HA 0.258 4.897 4.640 -0.000 0.000 0.260 157 D C -0.000 176.545 176.300 0.408 0.000 1.367 157 D CA -0.148 54.114 54.000 0.436 0.000 0.805 157 D CB -0.341 40.650 40.800 0.319 0.000 1.096 157 D HN 0.059 nan 8.370 nan 0.000 0.488 158 M N 1.150 120.940 119.600 0.316 0.000 2.470 158 M HA 0.560 5.039 4.480 -0.000 0.000 0.285 158 M C -2.001 174.227 176.300 -0.119 0.000 1.213 158 M CA -0.701 54.680 55.300 0.134 0.000 0.901 158 M CB 2.990 35.646 32.600 0.092 0.000 1.718 158 M HN 0.143 nan 8.290 nan 0.000 0.469 159 I N 0.499 120.993 120.570 -0.127 0.000 2.934 159 I HA 0.726 4.896 4.170 -0.000 0.000 0.306 159 I C -1.699 174.322 176.117 -0.159 0.000 1.110 159 I CA -0.552 60.577 61.300 -0.286 0.000 1.019 159 I CB 2.457 40.187 38.000 -0.450 0.000 1.227 159 I HN 0.796 nan 8.210 nan 0.000 0.434 160 Q N 3.381 123.055 119.800 -0.209 0.000 2.397 160 Q HA 0.782 5.122 4.340 -0.000 0.000 0.275 160 Q C -1.879 173.979 176.000 -0.236 0.000 1.090 160 Q CA -1.008 54.694 55.803 -0.169 0.000 0.809 160 Q CB 2.925 31.579 28.738 -0.139 0.000 1.362 160 Q HN 0.604 nan 8.270 nan 0.000 0.431 161 V N 1.272 121.053 119.914 -0.222 0.000 2.540 161 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 161 V C -0.510 175.394 176.094 -0.317 0.000 1.035 161 V CA -0.718 61.423 62.300 -0.265 0.000 0.873 161 V CB 1.811 33.499 31.823 -0.224 0.000 0.992 161 V HN 0.865 nan 8.190 nan 0.000 0.428 162 S N 5.974 121.410 115.700 -0.440 0.000 2.457 162 S HA 0.685 5.155 4.470 -0.000 0.000 0.289 162 S C -0.633 173.692 174.600 -0.457 0.000 1.163 162 S CA -0.559 57.236 58.200 -0.675 0.000 1.078 162 S CB 0.782 63.146 63.200 -1.394 0.000 0.987 162 S HN 0.431 nan 8.310 nan 0.000 0.482 163 L N 3.659 124.783 121.223 -0.165 0.000 2.333 163 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 163 L C 0.227 177.262 176.870 0.275 0.000 1.004 163 L CA -0.668 54.173 54.840 0.001 0.000 0.820 163 L CB 1.286 43.327 42.059 -0.031 0.000 1.247 163 L HN 0.523 nan 8.230 nan 0.000 0.416 164 N N 1.164 120.010 118.700 0.243 0.000 2.399 164 N HA 0.251 4.991 4.740 -0.000 0.000 0.250 164 N C 0.200 175.789 175.510 0.132 0.000 1.272 164 N CA -0.167 53.036 53.050 0.256 0.000 0.928 164 N CB 1.179 39.768 38.487 0.171 0.000 1.158 164 N HN 0.732 nan 8.380 nan 0.000 0.463 165 A N 0.126 123.000 122.820 0.090 0.000 2.546 165 A HA 0.386 4.706 4.320 -0.000 0.000 0.243 165 A C 1.391 179.001 177.584 0.043 0.000 1.063 165 A CA 0.642 52.708 52.037 0.048 0.000 0.757 165 A CB -0.777 18.239 19.000 0.027 0.000 0.991 165 A HN 0.922 nan 8.150 nan 0.000 0.503 166 G N 0.853 109.669 108.800 0.026 0.000 2.189 166 G HA2 0.066 4.026 3.960 -0.000 0.000 0.267 166 G HA3 0.066 4.026 3.960 -0.000 0.000 0.267 166 G C 0.708 175.666 174.900 0.097 0.000 0.975 166 G CA 0.846 45.977 45.100 0.052 0.000 0.644 166 G HN 2.226 nan 8.290 nan 0.000 0.537 167 A N -0.068 122.794 122.820 0.070 0.000 2.366 167 A HA 0.788 5.108 4.320 -0.000 0.000 0.249 167 A C 0.742 178.384 177.584 0.096 0.000 1.084 167 A CA 0.940 53.017 52.037 0.066 0.000 0.794 167 A CB 0.287 19.307 19.000 0.033 0.000 1.034 167 A HN 1.537 nan 8.150 nan 0.000 0.491 168 R N 0.078 120.598 120.500 0.032 0.000 2.643 168 R HA 0.740 5.080 4.340 -0.000 0.000 0.269 168 R C -0.352 175.870 176.300 -0.130 0.000 1.037 168 R CA -0.310 55.749 56.100 -0.068 0.000 0.894 168 R CB 1.353 31.636 30.300 -0.028 0.000 1.238 168 R HN 1.517 nan 8.270 nan 0.000 0.459 169 G N 0.831 109.440 108.800 -0.319 0.000 2.523 169 G HA2 0.352 4.312 3.960 -0.000 0.000 0.291 169 G HA3 0.352 4.312 3.960 -0.000 0.000 0.291 169 G C -1.949 172.852 174.900 -0.164 0.000 1.450 169 G CA -0.745 44.265 45.100 -0.150 0.000 0.790 169 G HN 0.463 nan 8.290 nan 0.000 0.496 170 D N -0.476 119.928 120.400 0.008 0.000 2.175 170 D HA 0.519 5.159 4.640 -0.000 0.000 0.248 170 D C 0.642 176.929 176.300 -0.023 0.000 1.047 170 D CA -0.285 53.737 54.000 0.038 0.000 0.883 170 D CB 2.270 43.120 40.800 0.083 0.000 1.180 170 D HN 0.079 nan 8.370 nan 0.000 0.438 171 V N 2.346 122.238 119.914 -0.035 0.000 3.556 171 V HA -0.088 4.032 4.120 -0.000 0.000 0.287 171 V C 2.118 178.274 176.094 0.104 0.000 1.422 171 V CA 0.078 62.365 62.300 -0.021 0.000 1.038 171 V CB 0.228 32.001 31.823 -0.084 0.000 0.850 171 V HN 0.535 nan 8.190 nan 0.000 0.437 172 Q N 1.430 121.313 119.800 0.138 0.000 2.152 172 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 172 Q C 1.783 178.030 176.000 0.412 0.000 0.985 172 Q CA 2.132 58.147 55.803 0.354 0.000 0.863 172 Q CB -0.638 28.324 28.738 0.374 0.000 0.904 172 Q HN 0.757 nan 8.270 nan 0.000 0.422 173 Q N 0.744 120.679 119.800 0.226 0.000 2.364 173 Q HA -0.127 4.212 4.340 -0.000 0.000 0.209 173 Q C 1.905 178.004 176.000 0.164 0.000 0.977 173 Q CA 1.144 57.054 55.803 0.178 0.000 0.885 173 Q CB -0.721 28.076 28.738 0.098 0.000 0.941 173 Q HN 0.478 nan 8.270 nan 0.000 0.464 174 I N 0.042 120.683 120.570 0.118 0.000 2.493 174 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 174 I C 1.318 177.502 176.117 0.111 0.000 1.160 174 I CA 0.871 62.160 61.300 -0.018 0.000 1.445 174 I CB -0.145 37.702 38.000 -0.255 0.000 1.086 174 I HN -0.034 nan 8.210 nan 0.000 0.433 175 F N 0.227 120.376 119.950 0.331 0.000 2.664 175 F HA 0.156 4.683 4.527 -0.000 0.000 0.296 175 F C 1.491 177.481 175.800 0.316 0.000 1.125 175 F CA 0.148 58.389 58.000 0.401 0.000 1.444 175 F CB -0.457 38.756 39.000 0.354 0.000 1.114 175 F HN 0.028 nan 8.300 nan 0.000 0.576 176 Q N -0.422 119.608 119.800 0.383 0.000 2.312 176 Q HA 0.408 4.748 4.340 -0.000 0.000 0.236 176 Q C 1.374 177.461 176.000 0.145 0.000 0.965 176 Q CA 0.455 56.390 55.803 0.220 0.000 0.894 176 Q CB 0.806 29.642 28.738 0.163 0.000 1.225 176 Q HN 0.369 nan 8.270 nan 0.000 0.478 177 G N 0.951 109.800 108.800 0.080 0.000 2.234 177 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 177 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 177 G C -0.167 174.734 174.900 0.002 0.000 0.987 177 G CA 0.419 45.541 45.100 0.038 0.000 0.625 177 G HN 0.577 nan 8.290 nan 0.000 0.532 178 R N 0.318 120.808 120.500 -0.016 0.000 2.514 178 R HA 0.683 5.023 4.340 -0.000 0.000 0.301 178 R C 0.601 176.749 176.300 -0.254 0.000 0.962 178 R CA -0.211 55.801 56.100 -0.147 0.000 0.882 178 R CB 0.939 31.104 30.300 -0.227 0.000 1.143 178 R HN 0.470 nan 8.270 nan 0.000 0.452 179 N N 0.320 118.881 118.700 -0.231 0.000 4.875 179 N HA -0.284 4.456 4.740 -0.000 0.000 0.299 179 N C -1.019 174.454 175.510 -0.062 0.000 0.905 179 N CA 1.218 54.167 53.050 -0.169 0.000 1.035 179 N CB -0.428 37.847 38.487 -0.352 0.000 0.829 179 N HN 0.875 nan 8.380 nan 0.000 0.545 180 D N 0.104 120.515 120.400 0.017 0.000 3.118 180 D HA 0.270 4.910 4.640 -0.000 0.000 0.286 180 D C -2.782 173.557 176.300 0.065 0.000 1.255 180 D CA -1.033 52.976 54.000 0.015 0.000 0.748 180 D CB 0.409 41.205 40.800 -0.007 0.000 1.332 180 D HN 0.278 nan 8.370 nan 0.000 0.575 181 P HA 0.133 nan 4.420 nan 0.000 0.272 181 P C 0.550 177.868 177.300 0.030 0.000 1.223 181 P CA -0.321 62.876 63.100 0.161 0.000 0.784 181 P CB 1.456 33.281 31.700 0.208 0.000 0.923 182 M N 0.226 119.851 119.600 0.043 0.000 2.653 182 M HA 0.191 4.671 4.480 -0.000 0.000 0.259 182 M C 0.497 176.747 176.300 -0.084 0.000 1.244 182 M CA 0.836 56.125 55.300 -0.018 0.000 1.163 182 M CB 0.288 32.907 32.600 0.031 0.000 1.309 182 M HN 0.339 nan 8.290 nan 0.000 0.509 183 M N 0.163 119.724 119.600 -0.064 0.000 2.413 183 M HA 0.516 4.996 4.480 -0.000 0.000 0.287 183 M C -2.076 174.065 176.300 -0.265 0.000 1.186 183 M CA -0.161 54.993 55.300 -0.244 0.000 0.927 183 M CB 2.512 34.985 32.600 -0.212 0.000 1.715 183 M HN -0.046 nan 8.290 nan 0.000 0.478 184 I N 3.820 124.093 120.570 -0.495 0.000 2.466 184 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 184 I C -1.561 174.229 176.117 -0.545 0.000 1.026 184 I CA -0.755 60.328 61.300 -0.362 0.000 1.078 184 I CB 1.711 39.485 38.000 -0.376 0.000 1.249 184 I HN 0.599 nan 8.210 nan 0.000 0.429 185 Y N 6.258 126.386 120.300 -0.286 0.000 2.369 185 Y HA 0.477 5.027 4.550 -0.000 0.000 0.337 185 Y C -0.323 175.459 175.900 -0.197 0.000 0.961 185 Y CA -0.756 57.136 58.100 -0.346 0.000 1.186 185 Y CB 1.027 38.986 38.460 -0.834 0.000 1.139 185 Y HN 0.299 nan 8.280 nan 0.000 0.494 186 L N 3.881 125.097 121.223 -0.013 0.000 2.334 186 L HA 0.739 5.079 4.340 -0.000 0.000 0.270 186 L C -0.530 176.382 176.870 0.070 0.000 1.018 186 L CA -1.192 53.662 54.840 0.023 0.000 0.811 186 L CB 1.955 43.989 42.059 -0.041 0.000 1.271 186 L HN 0.411 nan 8.230 nan 0.000 0.443 187 V N 2.384 122.355 119.914 0.094 0.000 2.711 187 V HA 0.637 4.757 4.120 -0.000 0.000 0.304 187 V C -1.701 174.464 176.094 0.118 0.000 1.097 187 V CA -0.565 61.778 62.300 0.072 0.000 0.906 187 V CB 1.846 33.686 31.823 0.028 0.000 1.015 187 V HN 0.829 nan 8.190 nan 0.000 0.427 188 W N 5.900 127.195 121.300 -0.009 0.000 2.606 188 W HA 0.859 5.519 4.660 0.000 0.000 0.332 188 W C -1.257 175.257 176.519 -0.008 0.000 1.052 188 W CA -0.938 56.398 57.345 -0.016 0.000 1.223 188 W CB 1.499 30.933 29.460 -0.045 0.000 1.383 188 W HN 0.660 nan 8.180 nan 0.000 0.524 189 R N 2.214 122.777 120.500 0.104 0.000 2.795 189 R HA 0.471 4.811 4.340 -0.000 0.000 0.275 189 R C -0.468 175.926 176.300 0.157 0.000 0.981 189 R CA -1.356 54.694 56.100 -0.084 0.000 0.917 189 R CB 2.882 33.154 30.300 -0.047 0.000 1.202 189 R HN 0.465 nan 8.270 nan 0.000 0.469 190 R N 1.452 121.998 120.500 0.077 0.000 2.298 190 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 190 R C -0.146 176.216 176.300 0.104 0.000 1.068 190 R CA -0.173 56.027 56.100 0.167 0.000 0.957 190 R CB 0.573 30.957 30.300 0.140 0.000 1.003 190 R HN 0.440 nan 8.270 nan 0.000 0.454 191 I N 3.574 124.202 120.570 0.097 0.000 2.329 191 I HA -0.024 4.146 4.170 -0.000 0.000 0.295 191 I C 1.239 177.474 176.117 0.198 0.000 1.109 191 I CA 0.036 61.402 61.300 0.109 0.000 1.297 191 I CB 1.006 39.042 38.000 0.061 0.000 1.433 191 I HN 0.612 nan 8.210 nan 0.000 0.509 192 E N 4.840 125.138 120.200 0.163 0.000 2.204 192 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 192 E C 0.324 177.041 176.600 0.194 0.000 0.990 192 E CA 1.162 57.659 56.400 0.162 0.000 0.821 192 E CB 0.156 29.912 29.700 0.093 0.000 0.750 192 E HN 0.607 nan 8.360 nan 0.000 0.477 193 N N -0.517 118.314 118.700 0.218 0.000 2.533 193 N HA 0.179 4.919 4.740 -0.000 0.000 0.289 193 N C -1.454 174.209 175.510 0.254 0.000 1.103 193 N CA -0.386 52.757 53.050 0.154 0.000 0.877 193 N CB 0.525 39.056 38.487 0.073 0.000 1.419 193 N HN -0.066 nan 8.380 nan 0.000 0.517 194 F N 1.448 121.440 119.950 0.070 0.000 2.631 194 F HA 0.878 5.405 4.527 -0.000 0.000 0.328 194 F C -0.620 175.234 175.800 0.090 0.000 1.067 194 F CA -1.264 56.793 58.000 0.095 0.000 0.969 194 F CB 0.682 39.767 39.000 0.142 0.000 1.332 194 F HN 0.243 nan 8.300 nan 0.000 0.490 195 A N 3.071 126.067 122.820 0.294 0.000 2.290 195 A HA 0.655 4.975 4.320 -0.000 0.000 0.310 195 A C -0.190 177.550 177.584 0.259 0.000 1.202 195 A CA -0.731 51.402 52.037 0.161 0.000 0.837 195 A CB 0.351 19.449 19.000 0.164 0.000 1.139 195 A HN 0.737 nan 8.150 nan 0.000 0.509 196 M N 1.733 121.376 119.600 0.071 0.000 2.227 196 M HA 0.268 4.748 4.480 -0.000 0.000 0.316 196 M C 1.675 178.054 176.300 0.132 0.000 1.144 196 M CA 0.056 55.390 55.300 0.057 0.000 1.121 196 M CB 0.879 33.391 32.600 -0.147 0.000 1.440 196 M HN 0.883 nan 8.290 nan 0.000 0.473 197 A N 0.846 123.760 122.820 0.157 0.000 1.986 197 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 197 A C 1.794 179.437 177.584 0.099 0.000 1.171 197 A CA 1.583 53.731 52.037 0.185 0.000 0.640 197 A CB -0.384 18.731 19.000 0.191 0.000 0.811 197 A HN 0.801 nan 8.150 nan 0.000 0.451 198 Q N -2.145 117.680 119.800 0.041 0.000 2.230 198 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 198 Q C 1.559 177.572 176.000 0.020 0.000 0.963 198 Q CA 1.329 57.143 55.803 0.018 0.000 0.866 198 Q CB 0.060 28.789 28.738 -0.014 0.000 0.931 198 Q HN 1.005 nan 8.270 nan 0.000 0.452 199 G N 0.825 109.639 108.800 0.024 0.000 2.296 199 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.188 199 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.188 199 G C -0.037 174.860 174.900 -0.005 0.000 1.000 199 G CA -0.059 45.054 45.100 0.022 0.000 0.672 199 G HN 0.518 nan 8.290 nan 0.000 0.483 200 N N 0.662 119.340 118.700 -0.037 0.000 2.524 200 N HA 0.592 5.332 4.740 -0.000 0.000 0.283 200 N C 0.273 175.713 175.510 -0.117 0.000 1.142 200 N CA 0.094 53.103 53.050 -0.069 0.000 0.984 200 N CB 1.371 39.809 38.487 -0.081 0.000 1.155 200 N HN 0.065 nan 8.380 nan 0.000 0.467 201 S N 0.249 115.875 115.700 -0.124 0.000 2.579 201 S HA 0.095 4.565 4.470 -0.000 0.000 0.275 201 S C -0.112 174.298 174.600 -0.316 0.000 1.345 201 S CA -0.369 57.717 58.200 -0.189 0.000 1.031 201 S CB 0.736 63.863 63.200 -0.121 0.000 0.892 201 S HN 0.744 nan 8.310 nan 0.000 0.529 202 Q N 0.679 120.148 119.800 -0.551 0.000 2.418 202 Q HA 0.510 4.850 4.340 -0.000 0.000 0.282 202 Q C -1.639 173.986 176.000 -0.626 0.000 1.044 202 Q CA -0.568 54.821 55.803 -0.689 0.000 0.813 202 Q CB 1.527 29.627 28.738 -1.062 0.000 1.428 202 Q HN 0.555 nan 8.270 nan 0.000 0.402 203 Q N 0.024 119.673 119.800 -0.250 0.000 2.248 203 Q HA 0.658 4.998 4.340 -0.000 0.000 0.263 203 Q C -1.187 174.955 176.000 0.236 0.000 1.007 203 Q CA -0.389 55.425 55.803 0.018 0.000 0.877 203 Q CB 2.319 31.065 28.738 0.013 0.000 1.315 203 Q HN 0.656 nan 8.270 nan 0.000 0.454 204 T N 2.876 117.615 114.554 0.308 0.000 2.749 204 T HA 0.301 4.651 4.350 -0.000 0.000 0.287 204 T C -0.690 174.100 174.700 0.151 0.000 0.970 204 T CA -0.761 61.506 62.100 0.277 0.000 0.980 204 T CB 0.732 69.748 68.868 0.248 0.000 0.924 204 T HN 0.307 nan 8.240 nan 0.000 0.456 205 Q N 1.723 121.591 119.800 0.113 0.000 2.340 205 Q HA 0.505 4.845 4.340 -0.000 0.000 0.249 205 Q C 0.266 176.307 176.000 0.069 0.000 0.957 205 Q CA -0.374 55.471 55.803 0.070 0.000 0.882 205 Q CB 0.765 29.531 28.738 0.046 0.000 1.235 205 Q HN 0.828 nan 8.270 nan 0.000 0.439 206 A N 0.311 123.165 122.820 0.057 0.000 2.445 206 A HA 0.497 4.817 4.320 -0.000 0.000 0.242 206 A C 1.060 178.674 177.584 0.050 0.000 1.075 206 A CA 0.799 52.874 52.037 0.062 0.000 0.777 206 A CB -0.050 18.979 19.000 0.048 0.000 1.013 206 A HN 0.915 nan 8.150 nan 0.000 0.493 207 G N 0.040 108.877 108.800 0.062 0.000 2.551 207 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.186 207 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.186 207 G C 0.126 175.022 174.900 -0.006 0.000 1.002 207 G CA -0.064 45.051 45.100 0.025 0.000 0.723 207 G HN 1.255 nan 8.290 nan 0.000 0.481 208 V N 2.576 122.502 119.914 0.020 0.000 2.740 208 V HA 0.547 4.667 4.120 -0.000 0.000 0.303 208 V C 0.949 177.019 176.094 -0.039 0.000 1.054 208 V CA 0.957 63.227 62.300 -0.050 0.000 1.106 208 V CB 1.114 32.935 31.823 -0.004 0.000 0.957 208 V HN 0.908 nan 8.190 nan 0.000 0.486 209 T N 1.306 115.750 114.554 -0.184 0.000 2.906 209 T HA 0.778 5.128 4.350 -0.000 0.000 0.295 209 T C -1.016 173.397 174.700 -0.478 0.000 1.061 209 T CA -0.740 61.233 62.100 -0.212 0.000 1.000 209 T CB 1.856 70.712 68.868 -0.020 0.000 1.103 209 T HN 0.349 nan 8.240 nan 0.000 0.486 210 V N 2.502 122.034 119.914 -0.637 0.000 2.588 210 V HA 0.815 4.935 4.120 -0.000 0.000 0.304 210 V C -0.143 175.770 176.094 -0.301 0.000 1.042 210 V CA -0.702 61.177 62.300 -0.702 0.000 0.877 210 V CB 1.788 32.748 31.823 -1.437 0.000 0.996 210 V HN 1.292 nan 8.190 nan 0.000 0.425 211 S N 3.589 119.173 115.700 -0.193 0.000 2.536 211 S HA 0.847 5.317 4.470 -0.000 0.000 0.287 211 S C -1.196 173.332 174.600 -0.119 0.000 1.101 211 S CA -0.720 57.427 58.200 -0.088 0.000 0.950 211 S CB 2.060 65.249 63.200 -0.017 0.000 1.056 211 S HN 0.434 nan 8.310 nan 0.000 0.481 212 V N 2.255 122.112 119.914 -0.095 0.000 2.409 212 V HA 0.706 4.826 4.120 -0.000 0.000 0.291 212 V C 1.157 177.235 176.094 -0.025 0.000 1.020 212 V CA 0.128 62.361 62.300 -0.111 0.000 0.848 212 V CB 0.478 32.231 31.823 -0.116 0.000 0.990 212 V HN 1.693 nan 8.190 nan 0.000 0.430 213 G N 3.707 112.505 108.800 -0.003 0.000 2.283 213 G HA2 0.025 3.985 3.960 -0.000 0.000 0.280 213 G HA3 0.025 3.985 3.960 -0.000 0.000 0.280 213 G C 1.216 176.106 174.900 -0.017 0.000 1.029 213 G CA 0.947 46.055 45.100 0.012 0.000 0.840 213 G HN 2.254 nan 8.290 nan 0.000 0.505 214 G N -2.881 105.894 108.800 -0.043 0.000 2.241 214 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.244 214 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.244 214 G C 0.998 175.880 174.900 -0.029 0.000 0.998 214 G CA 1.182 46.250 45.100 -0.053 0.000 0.621 214 G HN 2.176 nan 8.290 nan 0.000 0.519 215 V N 1.078 120.984 119.914 -0.013 0.000 2.567 215 V HA 0.658 4.778 4.120 -0.000 0.000 0.289 215 V C -0.051 176.048 176.094 0.009 0.000 1.049 215 V CA -0.307 61.994 62.300 0.003 0.000 0.969 215 V CB 1.564 33.395 31.823 0.013 0.000 0.995 215 V HN 0.253 nan 8.190 nan 0.000 0.471 216 D N 5.924 126.339 120.400 0.026 0.000 2.348 216 D HA 0.361 5.001 4.640 -0.000 0.000 0.253 216 D C -0.253 176.093 176.300 0.078 0.000 1.161 216 D CA 0.052 54.080 54.000 0.046 0.000 0.876 216 D CB 0.613 41.448 40.800 0.058 0.000 1.160 216 D HN 0.459 nan 8.370 nan 0.000 0.459 217 M N 2.870 122.540 119.600 0.117 0.000 2.294 217 M HA 0.358 4.838 4.480 -0.000 0.000 0.335 217 M C 0.249 176.777 176.300 0.381 0.000 1.079 217 M CA -0.530 54.890 55.300 0.200 0.000 0.982 217 M CB 1.634 34.347 32.600 0.189 0.000 1.651 217 M HN 0.254 nan 8.290 nan 0.000 0.437 218 R N 0.921 121.559 120.500 0.230 0.000 2.738 218 R HA 0.568 4.908 4.340 -0.000 0.000 0.268 218 R C 0.230 176.477 176.300 -0.089 0.000 1.062 218 R CA -0.247 55.934 56.100 0.136 0.000 1.158 218 R CB 0.505 30.819 30.300 0.023 0.000 1.046 218 R HN 0.824 nan 8.270 nan 0.000 0.493 219 A N 0.399 122.904 122.820 -0.526 0.000 2.304 219 A HA 0.484 4.804 4.320 -0.000 0.000 0.271 219 A C 0.956 178.191 177.584 -0.581 0.000 1.091 219 A CA 0.201 51.476 52.037 -1.269 0.000 0.812 219 A CB 0.406 18.412 19.000 -1.656 0.000 1.056 219 A HN 0.862 nan 8.150 nan 0.000 0.489 220 G N -0.132 108.372 108.800 -0.492 0.000 2.179 220 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 220 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 220 G C 0.102 174.924 174.900 -0.130 0.000 1.010 220 G CA 0.948 45.906 45.100 -0.238 0.000 0.736 220 G HN 0.885 nan 8.290 nan 0.000 0.513 221 R N -1.060 119.374 120.500 -0.109 0.000 2.673 221 R HA 0.664 5.004 4.340 -0.000 0.000 0.281 221 R C 0.469 176.777 176.300 0.014 0.000 0.991 221 R CA -0.869 55.214 56.100 -0.029 0.000 0.896 221 R CB 0.974 31.264 30.300 -0.017 0.000 1.201 221 R HN 0.197 nan 8.270 nan 0.000 0.457 222 I N 3.982 124.584 120.570 0.053 0.000 2.648 222 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 222 I C 0.047 176.229 176.117 0.109 0.000 1.153 222 I CA 0.595 61.953 61.300 0.096 0.000 1.426 222 I CB 0.384 38.463 38.000 0.133 0.000 1.381 222 I HN 0.391 nan 8.210 nan 0.000 0.571 223 I N 5.738 126.371 120.570 0.106 0.000 2.465 223 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 223 I C 0.086 176.227 176.117 0.039 0.000 1.014 223 I CA -0.548 60.800 61.300 0.081 0.000 1.093 223 I CB 1.858 39.891 38.000 0.054 0.000 1.267 223 I HN 0.589 nan 8.210 nan 0.000 0.431 224 A N 6.488 129.321 122.820 0.022 0.000 2.316 224 A HA 0.342 4.662 4.320 -0.000 0.000 0.311 224 A C -1.321 176.191 177.584 -0.119 0.000 1.339 224 A CA -0.175 51.745 52.037 -0.194 0.000 0.960 224 A CB -0.082 18.914 19.000 -0.008 0.000 1.152 224 A HN 0.700 nan 8.150 nan 0.000 0.547 225 W N 4.235 125.275 121.300 -0.434 0.000 2.587 225 W HA 0.400 5.060 4.660 -0.000 0.000 0.324 225 W C 0.347 176.674 176.519 -0.321 0.000 1.040 225 W CA -1.239 55.911 57.345 -0.324 0.000 1.222 225 W CB 1.339 30.592 29.460 -0.345 0.000 1.381 225 W HN 0.784 nan 8.180 nan 0.000 0.483 226 D N 2.763 122.816 120.400 -0.580 0.000 2.371 226 D HA 0.016 4.655 4.640 -0.000 0.000 0.221 226 D C 1.508 177.228 176.300 -0.966 0.000 0.986 226 D CA 0.909 54.541 54.000 -0.613 0.000 0.899 226 D CB -0.093 40.506 40.800 -0.336 0.000 0.902 226 D HN 0.863 nan 8.370 nan 0.000 0.530 227 G N 0.620 108.162 108.800 -2.097 0.000 2.179 227 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 227 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 227 G C 1.155 175.496 174.900 -0.932 0.000 0.977 227 G CA 0.496 44.340 45.100 -2.093 0.000 0.641 227 G HN 0.345 nan 8.290 nan 0.000 0.533 228 Q N -0.337 119.148 119.800 -0.525 0.000 2.548 228 Q HA 0.505 4.845 4.340 -0.000 0.000 0.230 228 Q C 1.783 177.850 176.000 0.111 0.000 0.899 228 Q CA 0.864 56.596 55.803 -0.117 0.000 0.936 228 Q CB -0.411 28.258 28.738 -0.114 0.000 1.114 228 Q HN 1.095 nan 8.270 nan 0.000 0.606 229 A N 1.698 124.625 122.820 0.177 0.000 2.555 229 A HA 0.365 4.685 4.320 -0.000 0.000 0.233 229 A C 0.187 177.975 177.584 0.341 0.000 1.060 229 A CA 0.530 52.717 52.037 0.251 0.000 0.759 229 A CB -0.066 19.083 19.000 0.247 0.000 0.995 229 A HN 0.281 nan 8.150 nan 0.000 0.506 230 A N 1.371 124.278 122.820 0.145 0.000 2.488 230 A HA 0.434 4.754 4.320 -0.000 0.000 0.249 230 A C -0.097 177.464 177.584 -0.038 0.000 1.083 230 A CA -0.116 51.966 52.037 0.075 0.000 0.768 230 A CB -0.164 18.852 19.000 0.026 0.000 1.017 230 A HN 1.194 nan 8.150 nan 0.000 0.496 231 L N 3.587 124.733 121.223 -0.129 0.000 2.287 231 L HA 0.353 4.693 4.340 -0.000 0.000 0.280 231 L C -0.369 176.413 176.870 -0.146 0.000 1.055 231 L CA -0.052 54.590 54.840 -0.331 0.000 0.863 231 L CB 0.229 41.926 42.059 -0.603 0.000 1.245 231 L HN 0.768 nan 8.230 nan 0.000 0.432 232 H N 3.129 122.062 119.070 -0.228 0.000 2.541 232 H HA 0.630 5.186 4.556 -0.000 0.000 0.316 232 H C -1.064 174.140 175.328 -0.207 0.000 1.043 232 H CA -0.527 55.414 56.048 -0.177 0.000 1.232 232 H CB 1.051 30.733 29.762 -0.133 0.000 1.406 232 H HN 0.333 nan 8.280 nan 0.000 0.469 233 V N 5.166 124.765 119.914 -0.526 0.000 2.472 233 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 233 V C -0.372 175.469 176.094 -0.422 0.000 1.037 233 V CA -0.708 61.323 62.300 -0.449 0.000 0.908 233 V CB 1.052 32.653 31.823 -0.369 0.000 0.985 233 V HN 0.822 nan 8.190 nan 0.000 0.454 234 H N 3.577 122.427 119.070 -0.368 0.000 2.840 234 H HA 0.463 5.019 4.556 -0.000 0.000 0.340 234 H C -0.831 174.410 175.328 -0.144 0.000 1.004 234 H CA -0.834 55.075 56.048 -0.233 0.000 1.288 234 H CB 1.402 31.090 29.762 -0.123 0.000 1.607 234 H HN 0.614 nan 8.280 nan 0.000 0.522 235 N N 6.636 125.151 118.700 -0.309 0.000 2.699 235 N HA 0.214 4.954 4.740 -0.000 0.000 0.232 235 N C -2.167 173.087 175.510 -0.428 0.000 1.027 235 N CA -2.392 50.476 53.050 -0.303 0.000 0.920 235 N CB 1.342 39.767 38.487 -0.103 0.000 1.148 235 N HN 0.449 nan 8.380 nan 0.000 0.509 236 P HA 0.019 nan 4.420 nan 0.000 0.245 236 P C 0.178 177.405 177.300 -0.123 0.000 1.212 236 P CA 0.188 63.074 63.100 -0.357 0.000 0.774 236 P CB 0.282 31.797 31.700 -0.309 0.000 0.999 237 T N 1.320 115.810 114.554 -0.106 0.000 2.860 237 T HA 0.076 4.426 4.350 -0.000 0.000 0.299 237 T C 1.150 175.842 174.700 -0.013 0.000 1.045 237 T CA 0.117 62.194 62.100 -0.037 0.000 1.071 237 T CB 0.434 69.291 68.868 -0.019 0.000 0.985 237 T HN -0.020 nan 8.240 nan 0.000 0.537 238 Q N 1.709 121.508 119.800 -0.001 0.000 2.247 238 Q HA 0.249 4.589 4.340 -0.000 0.000 0.205 238 Q C 0.119 176.121 176.000 0.004 0.000 0.896 238 Q CA 0.399 56.203 55.803 0.003 0.000 0.950 238 Q CB 0.304 29.043 28.738 0.001 0.000 1.054 238 Q HN 0.606 nan 8.270 nan 0.000 0.482 239 Q N -0.304 119.505 119.800 0.015 0.000 2.544 239 Q HA 0.336 4.676 4.340 -0.000 0.000 0.291 239 Q C -0.879 175.155 176.000 0.056 0.000 1.068 239 Q CA -0.871 54.942 55.803 0.017 0.000 0.785 239 Q CB 1.492 30.244 28.738 0.022 0.000 1.481 239 Q HN 0.154 nan 8.270 nan 0.000 0.430 240 N N -0.053 118.678 118.700 0.053 0.000 2.453 240 N HA 0.420 5.160 4.740 -0.000 0.000 0.253 240 N C -1.030 174.671 175.510 0.319 0.000 1.252 240 N CA 0.147 53.288 53.050 0.152 0.000 0.917 240 N CB 0.679 39.094 38.487 -0.120 0.000 1.117 240 N HN 0.537 nan 8.380 nan 0.000 0.442 241 A N 1.205 124.215 122.820 0.316 0.000 2.498 241 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 241 A C -1.057 176.477 177.584 -0.082 0.000 1.075 241 A CA -0.649 51.473 52.037 0.142 0.000 0.714 241 A CB 1.279 20.323 19.000 0.073 0.000 1.299 241 A HN 0.577 nan 8.150 nan 0.000 0.407 242 M N 1.796 121.216 119.600 -0.300 0.000 2.327 242 M HA 0.514 4.994 4.480 -0.000 0.000 0.298 242 M C -1.015 175.196 176.300 -0.150 0.000 1.065 242 M CA -0.828 54.246 55.300 -0.377 0.000 0.916 242 M CB 2.235 34.385 32.600 -0.750 0.000 1.630 242 M HN 0.826 nan 8.290 nan 0.000 0.442 243 V N 1.396 121.249 119.914 -0.103 0.000 2.735 243 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 243 V C -1.023 175.083 176.094 0.021 0.000 1.061 243 V CA -0.695 61.627 62.300 0.035 0.000 0.913 243 V CB 1.819 33.679 31.823 0.061 0.000 1.005 243 V HN 0.970 nan 8.190 nan 0.000 0.428 244 Q N 3.757 123.615 119.800 0.096 0.000 2.274 244 Q HA 0.789 5.129 4.340 -0.000 0.000 0.260 244 Q C -1.359 174.726 176.000 0.141 0.000 0.974 244 Q CA -0.828 55.018 55.803 0.070 0.000 0.876 244 Q CB 2.426 31.199 28.738 0.058 0.000 1.297 244 Q HN 0.826 nan 8.270 nan 0.000 0.446 245 I N 2.585 123.225 120.570 0.117 0.000 2.411 245 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 245 I C -0.639 175.595 176.117 0.196 0.000 1.012 245 I CA -0.619 60.790 61.300 0.181 0.000 1.119 245 I CB 2.005 40.119 38.000 0.189 0.000 1.261 245 I HN 0.699 nan 8.210 nan 0.000 0.448 246 Q N 5.568 125.479 119.800 0.185 0.000 2.257 246 Q HA 0.435 4.775 4.340 -0.000 0.000 0.255 246 Q C -1.243 174.880 176.000 0.205 0.000 0.920 246 Q CA -0.638 55.282 55.803 0.195 0.000 0.927 246 Q CB 2.123 30.952 28.738 0.151 0.000 1.229 246 Q HN 0.485 nan 8.270 nan 0.000 0.433 247 V N 6.204 126.272 119.914 0.256 0.000 2.322 247 V HA 0.004 4.124 4.120 -0.000 0.000 0.258 247 V C 1.087 177.318 176.094 0.228 0.000 1.074 247 V CA 0.059 62.475 62.300 0.194 0.000 0.909 247 V CB 0.646 32.561 31.823 0.154 0.000 1.090 247 V HN 0.840 nan 8.190 nan 0.000 0.486 248 V N 6.978 127.001 119.914 0.182 0.000 2.490 248 V HA 0.015 4.135 4.120 -0.000 0.000 0.250 248 V C 0.383 176.729 176.094 0.421 0.000 1.061 248 V CA 2.078 64.531 62.300 0.255 0.000 1.064 248 V CB -0.388 31.574 31.823 0.232 0.000 0.670 248 V HN 0.862 nan 8.190 nan 0.000 0.461 249 F N -1.673 118.453 119.950 0.293 0.000 2.793 249 F HA 0.604 5.131 4.527 -0.000 0.000 0.316 249 F C -1.279 174.813 175.800 0.487 0.000 1.147 249 F CA -1.635 56.556 58.000 0.320 0.000 0.930 249 F CB 0.252 39.335 39.000 0.138 0.000 1.277 249 F HN 0.186 nan 8.300 nan 0.000 0.443 250 Y N 1.898 122.446 120.300 0.414 0.000 2.609 250 Y HA 0.883 5.433 4.550 -0.000 0.000 0.342 250 Y C -1.099 175.030 175.900 0.383 0.000 1.058 250 Y CA -2.392 55.903 58.100 0.325 0.000 1.055 250 Y CB 1.523 40.160 38.460 0.295 0.000 1.292 250 Y HN 0.902 nan 8.280 nan 0.000 0.476 251 I N 1.234 121.998 120.570 0.324 0.000 2.509 251 I HA 0.932 5.102 4.170 -0.000 0.000 0.293 251 I C -0.683 175.522 176.117 0.147 0.000 1.020 251 I CA -0.684 60.712 61.300 0.160 0.000 1.088 251 I CB 2.221 40.361 38.000 0.234 0.000 1.267 251 I HN 0.875 nan 8.210 nan 0.000 0.430 252 S N 4.848 120.588 115.700 0.067 0.000 2.794 252 S HA 0.555 5.025 4.470 -0.000 0.000 0.299 252 S C -0.073 174.574 174.600 0.078 0.000 1.179 252 S CA -0.988 57.271 58.200 0.098 0.000 0.838 252 S CB 1.985 65.270 63.200 0.141 0.000 1.206 252 S HN 0.788 nan 8.310 nan 0.000 0.523 253 M N 1.365 121.019 119.600 0.090 0.000 2.551 253 M HA 0.272 4.752 4.480 -0.000 0.000 0.252 253 M C -0.836 175.566 176.300 0.169 0.000 1.219 253 M CA -0.042 55.342 55.300 0.140 0.000 0.978 253 M CB -0.435 32.256 32.600 0.151 0.000 1.533 253 M HN 0.511 nan 8.290 nan 0.000 0.474 254 D N 1.698 122.162 120.400 0.107 0.000 2.255 254 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 254 D C 0.077 176.426 176.300 0.081 0.000 1.078 254 D CA -0.065 53.995 54.000 0.100 0.000 0.896 254 D CB 1.231 42.070 40.800 0.066 0.000 1.194 254 D HN -0.068 nan 8.370 nan 0.000 0.429 255 K N 1.108 121.559 120.400 0.086 0.000 2.326 255 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 255 K C 0.631 177.259 176.600 0.047 0.000 1.018 255 K CA -0.169 56.154 56.287 0.060 0.000 0.962 255 K CB 0.899 33.432 32.500 0.055 0.000 0.953 255 K HN 0.563 nan 8.250 nan 0.000 0.475 256 T N -1.675 112.893 114.554 0.023 0.000 2.841 256 T HA 0.294 4.644 4.350 -0.000 0.000 0.276 256 T C 0.896 175.607 174.700 0.019 0.000 1.003 256 T CA -0.829 61.272 62.100 0.001 0.000 0.995 256 T CB 0.573 69.415 68.868 -0.042 0.000 1.260 256 T HN 0.148 nan 8.240 nan 0.000 0.581 257 L N 0.830 122.057 121.223 0.008 0.000 2.622 257 L HA 0.297 4.637 4.340 -0.000 0.000 0.233 257 L C 1.178 178.069 176.870 0.034 0.000 1.156 257 L CA 0.944 55.804 54.840 0.032 0.000 0.866 257 L CB -1.727 40.345 42.059 0.022 0.000 0.980 257 L HN 0.649 nan 8.230 nan 0.000 0.448 258 N N -1.441 117.264 118.700 0.010 0.000 2.279 258 N HA 0.001 4.741 4.740 -0.000 0.000 0.226 258 N C 1.418 176.934 175.510 0.010 0.000 1.126 258 N CA -0.112 52.938 53.050 -0.001 0.000 0.846 258 N CB 0.325 38.792 38.487 -0.032 0.000 1.050 258 N HN 0.458 nan 8.380 nan 0.000 0.502 259 Q N -0.382 119.445 119.800 0.044 0.000 2.311 259 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 259 Q C -0.224 175.832 176.000 0.094 0.000 0.954 259 Q CA 0.841 56.676 55.803 0.053 0.000 0.885 259 Q CB 0.048 28.822 28.738 0.060 0.000 0.963 259 Q HN 0.442 nan 8.270 nan 0.000 0.471 260 Y N 1.502 121.796 120.300 -0.010 0.000 2.457 260 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 260 Y C -2.710 173.188 175.900 -0.003 0.000 0.994 260 Y CA -3.088 55.008 58.100 -0.008 0.000 1.031 260 Y CB 1.873 40.331 38.460 -0.003 0.000 1.246 260 Y HN -0.092 nan 8.280 nan 0.000 0.449 261 P HA 0.060 nan 4.420 nan 0.000 0.260 261 P C 0.017 177.258 177.300 -0.099 0.000 1.185 261 P CA 1.572 64.467 63.100 -0.341 0.000 0.763 261 P CB 0.539 31.992 31.700 -0.411 0.000 0.776 262 A N 3.003 125.822 122.820 -0.001 0.000 2.799 262 A HA -0.224 4.096 4.320 -0.000 0.000 0.287 262 A C 1.385 179.062 177.584 0.155 0.000 1.484 262 A CA 0.819 52.898 52.037 0.069 0.000 0.813 262 A CB -2.347 16.687 19.000 0.057 0.000 1.009 262 A HN 0.638 nan 8.150 nan 0.000 0.545 263 L N -1.074 120.271 121.223 0.203 0.000 2.043 263 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 263 L C 2.582 179.547 176.870 0.158 0.000 1.075 263 L CA 2.686 57.657 54.840 0.219 0.000 0.752 263 L CB -0.577 41.601 42.059 0.198 0.000 0.891 263 L HN 0.734 nan 8.230 nan 0.000 0.432 264 T N -0.240 114.390 114.554 0.126 0.000 2.684 264 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 264 T C 1.878 176.681 174.700 0.172 0.000 1.036 264 T CA 1.314 63.489 62.100 0.126 0.000 1.148 264 T CB -0.352 68.560 68.868 0.072 0.000 0.863 264 T HN 0.535 nan 8.240 nan 0.000 0.436 265 A N 1.631 124.539 122.820 0.148 0.000 1.972 265 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 265 A C 2.330 180.053 177.584 0.231 0.000 1.169 265 A CA 1.193 53.342 52.037 0.187 0.000 0.635 265 A CB -0.317 18.758 19.000 0.125 0.000 0.810 265 A HN 0.320 nan 8.150 nan 0.000 0.446 266 E N 0.110 120.419 120.200 0.182 0.000 2.047 266 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 266 E C 1.976 178.671 176.600 0.158 0.000 0.987 266 E CA 0.954 57.442 56.400 0.146 0.000 0.799 266 E CB -0.529 29.238 29.700 0.112 0.000 0.752 266 E HN 0.710 nan 8.360 nan 0.000 0.449 267 I N 0.744 121.434 120.570 0.201 0.000 2.163 267 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 267 I C 2.371 178.702 176.117 0.357 0.000 1.085 267 I CA 1.146 62.613 61.300 0.278 0.000 1.347 267 I CB -0.286 37.889 38.000 0.290 0.000 1.044 267 I HN -0.003 nan 8.210 nan 0.000 0.408 268 F N 1.761 121.826 119.950 0.192 0.000 2.126 268 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 268 F C 2.290 178.196 175.800 0.176 0.000 1.096 268 F CA 2.081 60.190 58.000 0.182 0.000 1.255 268 F CB -0.715 38.350 39.000 0.110 0.000 0.997 268 F HN 0.116 nan 8.300 nan 0.000 0.479 269 N N 0.091 118.796 118.700 0.008 0.000 2.069 269 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 269 N C 1.897 177.353 175.510 -0.089 0.000 1.031 269 N CA 1.807 54.789 53.050 -0.113 0.000 0.852 269 N CB -0.145 38.348 38.487 0.009 0.000 1.018 269 N HN 0.263 nan 8.380 nan 0.000 0.423 270 V N 0.333 120.245 119.914 -0.003 0.000 2.343 270 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 270 V C 1.343 177.417 176.094 -0.033 0.000 1.051 270 V CA 1.551 63.849 62.300 -0.003 0.000 1.036 270 V CB -0.744 30.953 31.823 -0.210 0.000 0.654 270 V HN 0.377 nan 8.190 nan 0.000 0.451 271 Y N 0.019 120.391 120.300 0.119 0.000 2.490 271 Y HA 0.190 4.740 4.550 -0.000 0.000 0.281 271 Y C 1.638 177.658 175.900 0.199 0.000 1.174 271 Y CA -0.262 57.943 58.100 0.174 0.000 1.295 271 Y CB -0.325 38.232 38.460 0.161 0.000 1.062 271 Y HN 0.115 nan 8.280 nan 0.000 0.522 272 S N 0.478 116.243 115.700 0.107 0.000 2.579 272 S HA -0.042 4.428 4.470 -0.000 0.000 0.275 272 S C 0.966 175.794 174.600 0.381 0.000 1.345 272 S CA -0.550 57.685 58.200 0.059 0.000 1.031 272 S CB 0.416 63.472 63.200 -0.240 0.000 0.892 272 S HN 0.362 nan 8.310 nan 0.000 0.529 273 F N 2.489 122.572 119.950 0.221 0.000 2.060 273 F HA -0.027 4.500 4.527 -0.000 0.000 0.295 273 F C 1.919 177.836 175.800 0.195 0.000 1.120 273 F CA 1.786 59.910 58.000 0.208 0.000 1.205 273 F CB -0.152 38.913 39.000 0.107 0.000 0.986 273 F HN 0.745 nan 8.300 nan 0.000 0.470 274 R N -0.326 120.120 120.500 -0.090 0.000 1.195 274 R HA -0.309 4.031 4.340 -0.000 0.000 0.014 274 R C -0.574 175.450 176.300 -0.461 0.000 0.961 274 R CA 2.018 57.979 56.100 -0.231 0.000 1.984 274 R CB -2.003 28.110 30.300 -0.312 0.000 0.125 274 R HN 0.605 nan 8.270 nan 0.000 0.732 275 D N -3.131 116.743 120.400 -0.877 0.000 2.738 275 D HA 0.208 4.848 4.640 -0.000 0.000 0.308 275 D C 0.045 175.725 176.300 -1.033 0.000 1.311 275 D CA -0.421 53.017 54.000 -0.936 0.000 0.799 275 D CB -0.132 40.529 40.800 -0.232 0.000 1.332 275 D HN 0.192 nan 8.370 nan 0.000 0.441 276 H N -1.139 117.708 119.070 -0.372 0.000 2.421 276 H HA 0.015 4.571 4.556 -0.000 0.000 0.298 276 H C 1.393 176.637 175.328 -0.140 0.000 1.087 276 H CA 2.336 58.315 56.048 -0.115 0.000 1.330 276 H CB -0.062 29.723 29.762 0.039 0.000 1.388 276 H HN 0.409 nan 8.280 nan 0.000 0.526 277 T N 0.250 114.757 114.554 -0.079 0.000 2.770 277 T HA -0.185 4.165 4.350 -0.000 0.000 0.263 277 T C 1.802 176.348 174.700 -0.257 0.000 1.039 277 T CA 1.059 63.047 62.100 -0.186 0.000 1.142 277 T CB -0.322 68.400 68.868 -0.244 0.000 0.868 277 T HN 0.568 nan 8.240 nan 0.000 0.435 278 W N 1.660 122.656 121.300 -0.506 0.000 2.358 278 W HA -0.226 4.434 4.660 0.000 0.000 0.303 278 W C 2.248 178.539 176.519 -0.381 0.000 1.208 278 W CA 1.637 58.587 57.345 -0.659 0.000 1.274 278 W CB -0.582 28.326 29.460 -0.921 0.000 1.138 278 W HN 0.400 nan 8.180 nan 0.000 0.515 279 H N -0.085 118.658 119.070 -0.545 0.000 2.319 279 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 279 H C 2.468 177.551 175.328 -0.409 0.000 1.092 279 H CA 3.043 58.813 56.048 -0.462 0.000 1.302 279 H CB -0.815 28.788 29.762 -0.265 0.000 1.373 279 H HN 0.143 nan 8.280 nan 0.000 0.497 280 G N 0.682 109.268 108.800 -0.356 0.000 2.421 280 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 280 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 280 G C 1.859 176.552 174.900 -0.345 0.000 1.171 280 G CA 0.669 45.588 45.100 -0.302 0.000 0.775 280 G HN 0.434 nan 8.290 nan 0.000 0.543 281 L N 0.137 121.125 121.223 -0.390 0.000 2.017 281 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 281 L C 2.958 179.516 176.870 -0.520 0.000 1.073 281 L CA 1.604 56.236 54.840 -0.348 0.000 0.745 281 L CB -0.386 41.510 42.059 -0.272 0.000 0.894 281 L HN 0.237 nan 8.230 nan 0.000 0.432 282 R N -0.502 119.447 120.500 -0.918 0.000 2.083 282 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 282 R C 2.004 178.000 176.300 -0.506 0.000 1.137 282 R CA 2.331 57.904 56.100 -0.879 0.000 0.951 282 R CB -0.593 29.003 30.300 -1.174 0.000 0.851 282 R HN 0.359 nan 8.270 nan 0.000 0.434 283 T N 1.093 115.351 114.554 -0.494 0.000 2.665 283 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 283 T C 1.886 176.458 174.700 -0.214 0.000 1.035 283 T CA 1.789 63.694 62.100 -0.326 0.000 1.151 283 T CB -0.425 68.219 68.868 -0.373 0.000 0.862 283 T HN 0.492 nan 8.240 nan 0.000 0.438 284 A N 0.920 123.615 122.820 -0.208 0.000 1.908 284 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 284 A C 2.308 179.831 177.584 -0.103 0.000 1.181 284 A CA 1.362 53.326 52.037 -0.121 0.000 0.627 284 A CB -0.782 18.165 19.000 -0.089 0.000 0.818 284 A HN 0.552 nan 8.150 nan 0.000 0.445 285 I N -0.557 119.927 120.570 -0.143 0.000 2.252 285 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 285 I C 2.223 178.285 176.117 -0.091 0.000 1.102 285 I CA 0.988 62.223 61.300 -0.108 0.000 1.385 285 I CB -0.298 37.620 38.000 -0.137 0.000 1.064 285 I HN 0.252 nan 8.210 nan 0.000 0.414 286 L N 0.645 121.798 121.223 -0.116 0.000 2.275 286 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 286 L C 1.926 178.779 176.870 -0.029 0.000 1.119 286 L CA 0.721 55.522 54.840 -0.064 0.000 0.790 286 L CB -0.672 41.353 42.059 -0.058 0.000 0.919 286 L HN 0.323 nan 8.230 nan 0.000 0.443 287 N N 0.402 119.077 118.700 -0.041 0.000 2.443 287 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 287 N C 1.459 176.962 175.510 -0.012 0.000 1.037 287 N CA 0.876 53.913 53.050 -0.021 0.000 0.896 287 N CB -0.109 38.362 38.487 -0.028 0.000 0.959 287 N HN 0.161 nan 8.380 nan 0.000 0.442 288 R N -0.162 120.328 120.500 -0.016 0.000 2.388 288 R HA 0.147 4.487 4.340 -0.000 0.000 0.247 288 R C 0.342 176.639 176.300 -0.004 0.000 0.931 288 R CA 0.023 56.117 56.100 -0.009 0.000 1.082 288 R CB 0.065 30.357 30.300 -0.012 0.000 1.135 288 R HN 0.265 nan 8.270 nan 0.000 0.525 289 T N -5.350 109.205 114.554 0.001 0.000 2.773 289 T HA 0.234 4.583 4.350 -0.000 0.000 0.278 289 T C 0.920 175.634 174.700 0.023 0.000 1.011 289 T CA -0.341 61.765 62.100 0.010 0.000 1.014 289 T CB 1.544 70.417 68.868 0.008 0.000 1.293 289 T HN 0.029 nan 8.240 nan 0.000 0.554 290 T N -0.654 113.918 114.554 0.031 0.000 3.144 290 T HA 0.320 4.670 4.350 -0.000 0.000 0.249 290 T C 0.316 175.053 174.700 0.061 0.000 1.089 290 T CA -0.374 61.751 62.100 0.042 0.000 0.989 290 T CB -0.315 68.577 68.868 0.040 0.000 0.992 290 T HN 0.280 nan 8.240 nan 0.000 0.540 291 L N 3.142 124.407 121.223 0.069 0.000 2.357 291 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 291 L C -2.073 174.869 176.870 0.120 0.000 1.080 291 L CA -2.720 52.185 54.840 0.108 0.000 0.803 291 L CB 0.743 42.878 42.059 0.127 0.000 1.174 291 L HN 0.014 nan 8.230 nan 0.000 0.443 292 P HA 0.086 nan 4.420 nan 0.000 0.269 292 P C -0.110 177.317 177.300 0.212 0.000 1.209 292 P CA -0.167 63.004 63.100 0.118 0.000 0.776 292 P CB 0.462 32.191 31.700 0.047 0.000 0.876 293 N N 2.931 121.718 118.700 0.145 0.000 2.446 293 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 293 N C 1.093 176.726 175.510 0.204 0.000 1.054 293 N CA 1.084 54.211 53.050 0.128 0.000 0.905 293 N CB -0.505 37.990 38.487 0.014 0.000 0.973 293 N HN 0.523 nan 8.380 nan 0.000 0.448 294 M N -2.483 117.272 119.600 0.259 0.000 2.215 294 M HA 0.421 4.901 4.480 -0.000 0.000 0.391 294 M C -0.911 175.602 176.300 0.354 0.000 0.914 294 M CA -0.243 55.276 55.300 0.364 0.000 1.035 294 M CB 0.933 33.660 32.600 0.211 0.000 1.944 294 M HN -0.191 nan 8.290 nan 0.000 0.656 295 L N 2.188 123.393 121.223 -0.030 0.000 2.408 295 L HA 0.695 5.035 4.340 -0.000 0.000 0.268 295 L C -2.569 173.865 176.870 -0.727 0.000 0.986 295 L CA -1.964 52.712 54.840 -0.273 0.000 0.820 295 L CB 2.315 44.321 42.059 -0.087 0.000 1.303 295 L HN -0.188 nan 8.230 nan 0.000 0.411 296 P HA 0.044 nan 4.420 nan 0.000 0.266 296 P C -2.404 174.727 177.300 -0.282 0.000 1.193 296 P CA -0.633 62.071 63.100 -0.660 0.000 0.770 296 P CB -0.359 31.186 31.700 -0.259 0.000 0.836 297 P HA 0.092 nan 4.420 nan 0.000 0.270 297 P C 0.647 177.906 177.300 -0.068 0.000 1.223 297 P CA 0.173 63.252 63.100 -0.036 0.000 0.785 297 P CB 0.849 32.584 31.700 0.058 0.000 0.923 298 I N -0.498 120.003 120.570 -0.115 0.000 2.400 298 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 298 I C 0.783 176.642 176.117 -0.430 0.000 1.109 298 I CA 1.068 62.174 61.300 -0.323 0.000 1.425 298 I CB -0.229 37.469 38.000 -0.503 0.000 1.094 298 I HN 0.140 nan 8.210 nan 0.000 0.425 299 F N 1.904 121.910 119.950 0.093 0.000 2.450 299 F HA 0.405 4.932 4.527 -0.000 0.000 0.332 299 F C -2.048 173.793 175.800 0.069 0.000 1.093 299 F CA -3.141 54.918 58.000 0.097 0.000 1.003 299 F CB 0.055 39.110 39.000 0.092 0.000 1.151 299 F HN -0.232 nan 8.300 nan 0.000 0.474 300 P HA 0.133 nan 4.420 nan 0.000 0.268 300 P C -2.605 174.780 177.300 0.142 0.000 1.205 300 P CA -0.897 62.289 63.100 0.143 0.000 0.771 300 P CB 0.014 31.776 31.700 0.102 0.000 0.858 301 P HA 0.124 nan 4.420 nan 0.000 0.272 301 P C 0.537 177.877 177.300 0.066 0.000 1.240 301 P CA -0.067 63.086 63.100 0.089 0.000 0.791 301 P CB 0.394 32.138 31.700 0.073 0.000 0.978 302 N N -0.456 118.274 118.700 0.050 0.000 2.116 302 N HA 0.024 4.764 4.740 -0.000 0.000 0.230 302 N C -1.032 174.476 175.510 -0.002 0.000 1.326 302 N CA -0.242 52.826 53.050 0.030 0.000 0.867 302 N CB 0.574 39.092 38.487 0.053 0.000 1.174 302 N HN 0.370 nan 8.380 nan 0.000 0.506 303 D N 0.496 120.895 120.400 -0.001 0.000 2.299 303 D HA 0.173 4.813 4.640 -0.000 0.000 0.243 303 D C 0.794 177.075 176.300 -0.032 0.000 0.982 303 D CA -0.663 53.325 54.000 -0.020 0.000 0.924 303 D CB 2.754 43.553 40.800 -0.002 0.000 1.238 303 D HN -0.125 nan 8.370 nan 0.000 0.484 304 R N 0.497 120.969 120.500 -0.047 0.000 2.096 304 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 304 R C 0.862 177.134 176.300 -0.048 0.000 1.139 304 R CA 2.013 58.081 56.100 -0.053 0.000 0.952 304 R CB -0.169 30.098 30.300 -0.055 0.000 0.854 304 R HN 0.451 nan 8.270 nan 0.000 0.436 305 D N -0.168 120.213 120.400 -0.033 0.000 2.104 305 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 305 D C 2.037 178.321 176.300 -0.026 0.000 0.994 305 D CA 1.802 55.786 54.000 -0.028 0.000 0.830 305 D CB -0.371 40.420 40.800 -0.015 0.000 0.959 305 D HN 0.210 nan 8.370 nan 0.000 0.452 306 S N 0.463 116.155 115.700 -0.014 0.000 2.356 306 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 306 S C 2.079 176.666 174.600 -0.021 0.000 1.032 306 S CA 0.509 58.708 58.200 -0.002 0.000 1.005 306 S CB -0.082 63.131 63.200 0.022 0.000 0.867 306 S HN 0.202 nan 8.310 nan 0.000 0.449 307 I N 1.676 122.221 120.570 -0.043 0.000 2.163 307 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 307 I C 2.297 178.333 176.117 -0.134 0.000 1.085 307 I CA 1.170 62.416 61.300 -0.091 0.000 1.347 307 I CB -1.388 36.545 38.000 -0.112 0.000 1.044 307 I HN 0.283 nan 8.210 nan 0.000 0.408 308 L N 0.520 121.675 121.223 -0.112 0.000 1.989 308 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 308 L C 2.603 179.423 176.870 -0.084 0.000 1.071 308 L CA 2.037 56.810 54.840 -0.111 0.000 0.749 308 L CB -0.586 41.425 42.059 -0.081 0.000 0.890 308 L HN 0.277 nan 8.230 nan 0.000 0.431 309 T N 0.420 114.939 114.554 -0.058 0.000 2.759 309 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 309 T C 1.931 176.605 174.700 -0.044 0.000 1.042 309 T CA 1.373 63.447 62.100 -0.043 0.000 1.140 309 T CB -0.270 68.579 68.868 -0.030 0.000 0.864 309 T HN 0.229 nan 8.240 nan 0.000 0.455 310 L N 0.195 121.390 121.223 -0.047 0.000 2.027 310 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 310 L C 2.540 179.382 176.870 -0.047 0.000 1.074 310 L CA 1.138 55.956 54.840 -0.038 0.000 0.745 310 L CB -0.607 41.446 42.059 -0.011 0.000 0.898 310 L HN 0.243 nan 8.230 nan 0.000 0.433 311 L N -0.946 120.220 121.223 -0.096 0.000 2.012 311 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 311 L C 2.594 179.436 176.870 -0.047 0.000 1.073 311 L CA 0.909 55.688 54.840 -0.102 0.000 0.748 311 L CB -0.538 41.400 42.059 -0.201 0.000 0.891 311 L HN 0.238 nan 8.230 nan 0.000 0.431 312 L N -0.441 120.754 121.223 -0.047 0.000 2.046 312 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 312 L C 2.379 179.257 176.870 0.013 0.000 1.077 312 L CA 1.657 56.483 54.840 -0.022 0.000 0.747 312 L CB -0.794 41.247 42.059 -0.031 0.000 0.896 312 L HN 0.181 nan 8.230 nan 0.000 0.432 313 L N -1.760 119.475 121.223 0.021 0.000 2.093 313 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 313 L C 2.650 179.593 176.870 0.122 0.000 1.085 313 L CA 1.272 56.165 54.840 0.088 0.000 0.755 313 L CB -0.217 41.867 42.059 0.042 0.000 0.904 313 L HN 0.321 nan 8.230 nan 0.000 0.435 314 S N -0.988 114.742 115.700 0.051 0.000 2.356 314 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 314 S C 1.897 176.500 174.600 0.005 0.000 1.032 314 S CA 2.065 60.282 58.200 0.027 0.000 1.005 314 S CB -0.135 63.080 63.200 0.025 0.000 0.867 314 S HN 0.474 nan 8.310 nan 0.000 0.449 315 T N 2.601 117.165 114.554 0.017 0.000 2.708 315 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 315 T C 1.704 176.419 174.700 0.025 0.000 1.037 315 T CA 1.412 63.520 62.100 0.013 0.000 1.146 315 T CB -0.552 68.323 68.868 0.012 0.000 0.865 315 T HN 0.316 nan 8.240 nan 0.000 0.435 316 L N 1.320 122.582 121.223 0.065 0.000 2.127 316 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 316 L C 2.524 179.466 176.870 0.121 0.000 1.089 316 L CA 1.640 56.564 54.840 0.140 0.000 0.757 316 L CB -0.814 41.369 42.059 0.206 0.000 0.899 316 L HN 0.236 nan 8.230 nan 0.000 0.434 317 A N -1.016 121.740 122.820 -0.108 0.000 1.930 317 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 317 A C 1.985 179.383 177.584 -0.311 0.000 1.175 317 A CA 1.716 53.373 52.037 -0.633 0.000 0.627 317 A CB -0.658 17.901 19.000 -0.735 0.000 0.815 317 A HN 0.505 nan 8.150 nan 0.000 0.443 318 D N -0.177 120.142 120.400 -0.136 0.000 2.117 318 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 318 D C 2.092 178.381 176.300 -0.019 0.000 0.982 318 D CA 1.377 55.332 54.000 -0.074 0.000 0.828 318 D CB -0.429 40.350 40.800 -0.036 0.000 0.967 318 D HN 0.210 nan 8.370 nan 0.000 0.464 319 V N 0.733 120.674 119.914 0.046 0.000 2.343 319 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 319 V C 2.230 178.408 176.094 0.141 0.000 1.051 319 V CA 1.435 63.800 62.300 0.108 0.000 1.036 319 V CB -0.678 31.244 31.823 0.165 0.000 0.654 319 V HN 0.184 nan 8.190 nan 0.000 0.451 320 Y N 1.223 121.547 120.300 0.040 0.000 2.128 320 Y HA -0.308 4.241 4.550 -0.000 0.000 0.284 320 Y C 2.720 178.486 175.900 -0.222 0.000 1.154 320 Y CA 2.433 60.429 58.100 -0.173 0.000 1.149 320 Y CB -0.528 37.754 38.460 -0.298 0.000 0.976 320 Y HN 0.199 nan 8.280 nan 0.000 0.505 321 T N -0.434 114.098 114.554 -0.038 0.000 2.746 321 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 321 T C 2.051 176.674 174.700 -0.129 0.000 1.039 321 T CA 1.911 63.953 62.100 -0.096 0.000 1.142 321 T CB -0.752 68.063 68.868 -0.089 0.000 0.866 321 T HN 0.437 nan 8.240 nan 0.000 0.444 322 V N 0.153 120.010 119.914 -0.095 0.000 2.446 322 V HA 0.111 4.231 4.120 -0.000 0.000 0.244 322 V C 2.125 178.151 176.094 -0.114 0.000 1.039 322 V CA 1.255 63.504 62.300 -0.085 0.000 1.045 322 V CB -0.736 31.058 31.823 -0.049 0.000 0.681 322 V HN 0.468 nan 8.190 nan 0.000 0.459 323 L N 0.150 121.294 121.223 -0.131 0.000 2.291 323 L HA 0.149 4.489 4.340 -0.000 0.000 0.214 323 L C 1.367 178.080 176.870 -0.262 0.000 1.120 323 L CA 0.738 55.486 54.840 -0.154 0.000 0.799 323 L CB -0.508 41.502 42.059 -0.082 0.000 0.925 323 L HN 0.424 nan 8.230 nan 0.000 0.446 324 R N -1.257 118.999 120.500 -0.407 0.000 3.251 324 R HA -0.144 4.196 4.340 -0.000 0.000 0.249 324 R C -2.296 173.728 176.300 -0.460 0.000 0.949 324 R CA -0.004 55.810 56.100 -0.477 0.000 0.645 324 R CB -2.256 27.883 30.300 -0.269 0.000 1.065 324 R HN 0.325 nan 8.270 nan 0.000 0.452 325 P HA 0.147 nan 4.420 nan 0.000 0.272 325 P C -0.449 176.751 177.300 -0.167 0.000 1.240 325 P CA 0.123 63.015 63.100 -0.347 0.000 0.791 325 P CB 0.777 32.219 31.700 -0.429 0.000 0.978 326 E N 0.775 121.011 120.200 0.059 0.000 2.283 326 E HA 0.460 4.810 4.350 -0.000 0.000 0.258 326 E C -0.941 175.838 176.600 0.298 0.000 0.893 326 E CA -0.370 56.078 56.400 0.080 0.000 0.798 326 E CB 0.975 30.684 29.700 0.016 0.000 1.242 326 E HN 0.417 nan 8.360 nan 0.000 0.414 327 F N 0.252 120.254 119.950 0.087 0.000 2.745 327 F HA 0.840 5.367 4.527 -0.000 0.000 0.316 327 F C -1.299 174.572 175.800 0.118 0.000 1.155 327 F CA -1.476 56.620 58.000 0.160 0.000 0.937 327 F CB 0.684 39.894 39.000 0.350 0.000 1.361 327 F HN 0.288 nan 8.300 nan 0.000 0.472 328 A N 1.452 124.396 122.820 0.207 0.000 2.312 328 A HA 0.829 5.149 4.320 -0.000 0.000 0.326 328 A C -0.978 176.623 177.584 0.028 0.000 1.172 328 A CA -0.697 51.366 52.037 0.042 0.000 0.821 328 A CB 0.518 19.555 19.000 0.061 0.000 1.166 328 A HN 0.721 nan 8.150 nan 0.000 0.493 329 I N 2.289 122.823 120.570 -0.060 0.000 2.465 329 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 329 I C -0.474 175.619 176.117 -0.041 0.000 1.014 329 I CA -0.862 60.398 61.300 -0.067 0.000 1.093 329 I CB 1.573 39.535 38.000 -0.063 0.000 1.267 329 I HN 0.642 nan 8.210 nan 0.000 0.431 330 H N 4.552 123.644 119.070 0.037 0.000 3.070 330 H HA 0.060 4.616 4.556 -0.000 0.000 0.313 330 H C 1.214 176.545 175.328 0.005 0.000 0.997 330 H CA 1.129 57.189 56.048 0.020 0.000 1.438 330 H CB 0.464 30.237 29.762 0.018 0.000 1.455 330 H HN 0.959 nan 8.280 nan 0.000 0.575 331 G N 2.538 111.423 108.800 0.141 0.000 2.176 331 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G C 0.069 174.995 174.900 0.042 0.000 0.979 331 G CA 0.253 45.394 45.100 0.069 0.000 0.641 331 G HN 0.574 nan 8.290 nan 0.000 0.530 332 V N 1.390 121.325 119.914 0.034 0.000 2.427 332 V HA 0.540 4.659 4.120 -0.000 0.000 0.286 332 V C 0.067 176.154 176.094 -0.011 0.000 1.034 332 V CA -0.821 61.488 62.300 0.015 0.000 0.893 332 V CB 1.767 33.590 31.823 0.001 0.000 0.982 332 V HN 0.319 nan 8.190 nan 0.000 0.452 333 N N 4.731 123.401 118.700 -0.049 0.000 2.623 333 N HA 0.398 5.138 4.740 -0.000 0.000 0.256 333 N C -2.665 172.720 175.510 -0.209 0.000 1.045 333 N CA -1.081 51.916 53.050 -0.089 0.000 0.863 333 N CB 2.167 40.615 38.487 -0.066 0.000 1.182 333 N HN 0.453 nan 8.380 nan 0.000 0.523 334 P HA 0.079 nan 4.420 nan 0.000 0.265 334 P C -0.530 176.677 177.300 -0.155 0.000 1.187 334 P CA 0.475 63.472 63.100 -0.171 0.000 0.766 334 P CB 0.683 32.361 31.700 -0.038 0.000 0.820 335 M N 4.557 124.084 119.600 -0.121 0.000 2.085 335 M HA 0.222 4.702 4.480 -0.000 0.000 0.309 335 M C -1.493 174.857 176.300 0.084 0.000 0.947 335 M CA -1.776 53.519 55.300 -0.009 0.000 0.918 335 M CB 2.086 34.702 32.600 0.026 0.000 1.504 335 M HN 0.244 nan 8.290 nan 0.000 0.420 336 P HA -0.170 nan 4.420 nan 0.000 0.218 336 P C 0.814 178.155 177.300 0.069 0.000 1.150 336 P CA 1.796 64.927 63.100 0.052 0.000 0.841 336 P CB 0.250 31.968 31.700 0.031 0.000 0.784 337 G N -0.869 107.979 108.800 0.081 0.000 2.669 337 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.250 337 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.250 337 G C -1.642 173.293 174.900 0.058 0.000 1.247 337 G CA 0.054 45.206 45.100 0.086 0.000 0.958 337 G HN 0.293 nan 8.290 nan 0.000 0.559 338 P HA 0.400 nan 4.420 nan 0.000 0.261 338 P C -0.046 177.300 177.300 0.076 0.000 1.297 338 P CA 0.536 63.669 63.100 0.056 0.000 0.757 338 P CB -0.264 31.460 31.700 0.039 0.000 1.149 339 L N -0.596 120.686 121.223 0.098 0.000 1.714 339 L HA -0.113 4.227 4.340 -0.000 0.000 0.484 339 L C 0.229 177.153 176.870 0.090 0.000 1.002 339 L CA 0.551 55.468 54.840 0.128 0.000 1.207 339 L CB -2.078 40.082 42.059 0.168 0.000 1.513 339 L HN 0.479 nan 8.230 nan 0.000 0.810 340 T N 0.059 114.653 114.554 0.067 0.000 2.864 340 T HA 0.660 5.010 4.350 -0.000 0.000 0.289 340 T C 0.918 175.616 174.700 -0.003 0.000 1.082 340 T CA -0.292 61.828 62.100 0.033 0.000 1.009 340 T CB 2.129 71.009 68.868 0.020 0.000 1.234 340 T HN 0.694 nan 8.240 nan 0.000 0.526 341 R N -0.006 120.487 120.500 -0.010 0.000 2.096 341 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 341 R C 2.387 178.640 176.300 -0.079 0.000 1.127 341 R CA 1.615 57.691 56.100 -0.040 0.000 0.968 341 R CB -0.952 29.336 30.300 -0.021 0.000 0.861 341 R HN 0.772 nan 8.270 nan 0.000 0.440 342 A N 1.073 123.861 122.820 -0.053 0.000 1.902 342 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 342 A C 2.131 179.665 177.584 -0.083 0.000 1.181 342 A CA 1.443 53.447 52.037 -0.055 0.000 0.623 342 A CB -0.469 18.515 19.000 -0.027 0.000 0.818 342 A HN 0.364 nan 8.150 nan 0.000 0.443 343 I N -0.406 120.115 120.570 -0.081 0.000 2.252 343 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 343 I C 2.977 178.886 176.117 -0.346 0.000 1.102 343 I CA 0.926 62.168 61.300 -0.097 0.000 1.385 343 I CB -0.377 37.630 38.000 0.012 0.000 1.064 343 I HN 0.366 nan 8.210 nan 0.000 0.414 344 A N 1.226 123.734 122.820 -0.520 0.000 1.858 344 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 344 A C 2.382 179.626 177.584 -0.566 0.000 1.190 344 A CA 2.146 53.527 52.037 -1.093 0.000 0.617 344 A CB -0.704 17.941 19.000 -0.592 0.000 0.827 344 A HN 0.383 nan 8.150 nan 0.000 0.443 345 R N 0.001 120.341 120.500 -0.268 0.000 2.091 345 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 345 R C 2.047 178.323 176.300 -0.040 0.000 1.136 345 R CA 1.897 57.919 56.100 -0.131 0.000 0.959 345 R CB -0.577 29.654 30.300 -0.114 0.000 0.856 345 R HN 0.385 nan 8.270 nan 0.000 0.437 346 A N 0.203 122.971 122.820 -0.087 0.000 2.067 346 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 346 A C 2.241 179.814 177.584 -0.019 0.000 1.158 346 A CA 1.334 53.351 52.037 -0.033 0.000 0.661 346 A CB -0.637 18.346 19.000 -0.027 0.000 0.801 346 A HN 0.551 nan 8.150 nan 0.000 0.452 347 A N -1.829 120.915 122.820 -0.126 0.000 2.167 347 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 347 A C 1.005 178.504 177.584 -0.142 0.000 1.151 347 A CA 0.390 52.324 52.037 -0.171 0.000 0.735 347 A CB -0.535 18.179 19.000 -0.477 0.000 0.802 347 A HN 0.505 nan 8.150 nan 0.000 0.467 348 Y N 0.048 120.300 120.300 -0.080 0.000 2.873 348 Y HA 0.388 4.938 4.550 -0.000 0.000 0.375 348 Y C 0.700 176.634 175.900 0.058 0.000 1.070 348 Y CA 0.028 58.158 58.100 0.051 0.000 1.644 348 Y CB -0.935 37.528 38.460 0.004 0.000 1.495 348 Y HN 0.031 nan 8.280 nan 0.000 0.494 349 V N 0.000 119.997 119.914 0.138 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.357 62.300 0.095 0.000 1.235 349 V CB 0.000 31.876 31.823 0.088 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556