REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2btv_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 D N 0.572 120.925 120.400 -0.078 0.000 2.097 2 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 2 D C 1.632 177.825 176.300 -0.178 0.000 0.984 2 D CA 2.632 56.564 54.000 -0.112 0.000 0.826 2 D CB -0.495 40.240 40.800 -0.108 0.000 0.973 2 D HN 0.701 nan 8.370 nan 0.000 0.460 3 T N 0.126 114.561 114.554 -0.197 0.000 2.685 3 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 3 T C 2.297 176.871 174.700 -0.210 0.000 1.034 3 T CA 1.044 62.958 62.100 -0.310 0.000 1.149 3 T CB -0.769 68.027 68.868 -0.120 0.000 0.860 3 T HN 0.160 nan 8.240 nan 0.000 0.449 4 I N 2.272 122.786 120.570 -0.093 0.000 2.091 4 I HA -0.199 3.971 4.170 -0.000 0.000 0.239 4 I C 3.287 179.371 176.117 -0.055 0.000 1.061 4 I CA 1.569 62.844 61.300 -0.040 0.000 1.317 4 I CB -0.848 37.139 38.000 -0.022 0.000 1.031 4 I HN 0.369 nan 8.210 nan 0.000 0.401 5 A N 0.681 123.456 122.820 -0.076 0.000 1.908 5 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 5 A C 2.532 180.063 177.584 -0.089 0.000 1.181 5 A CA 2.086 54.080 52.037 -0.072 0.000 0.627 5 A CB -0.935 18.018 19.000 -0.078 0.000 0.818 5 A HN 0.490 nan 8.150 nan 0.000 0.445 6 A N -0.290 122.431 122.820 -0.165 0.000 1.908 6 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 6 A C 2.265 179.803 177.584 -0.077 0.000 1.181 6 A CA 1.588 53.503 52.037 -0.203 0.000 0.627 6 A CB -0.475 18.218 19.000 -0.511 0.000 0.818 6 A HN 0.575 nan 8.150 nan 0.000 0.445 7 R N -0.625 119.853 120.500 -0.037 0.000 2.070 7 R HA -0.091 4.249 4.340 -0.000 0.000 0.233 7 R C 2.583 178.915 176.300 0.053 0.000 1.137 7 R CA 1.264 57.425 56.100 0.102 0.000 0.945 7 R CB -0.622 29.755 30.300 0.128 0.000 0.845 7 R HN 0.501 nan 8.270 nan 0.000 0.430 8 A N 1.478 124.308 122.820 0.017 0.000 1.903 8 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 8 A C 2.144 179.726 177.584 -0.002 0.000 1.191 8 A CA 1.440 53.478 52.037 0.003 0.000 0.638 8 A CB -0.666 18.331 19.000 -0.006 0.000 0.823 8 A HN 0.225 nan 8.150 nan 0.000 0.451 9 L N -0.317 120.904 121.223 -0.003 0.000 1.970 9 L HA -0.158 4.183 4.340 -0.000 0.000 0.212 9 L C 2.689 179.570 176.870 0.019 0.000 1.071 9 L CA 2.817 57.658 54.840 0.002 0.000 0.751 9 L CB -1.049 41.008 42.059 -0.004 0.000 0.889 9 L HN 0.445 nan 8.230 nan 0.000 0.432 10 T N -1.205 113.374 114.554 0.042 0.000 2.685 10 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 10 T C 1.903 176.624 174.700 0.034 0.000 1.034 10 T CA 1.779 63.916 62.100 0.061 0.000 1.149 10 T CB -0.544 68.395 68.868 0.119 0.000 0.860 10 T HN 0.217 nan 8.240 nan 0.000 0.449 11 V N 1.309 121.235 119.914 0.021 0.000 2.270 11 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 11 V C 2.508 178.589 176.094 -0.021 0.000 1.043 11 V CA 1.737 64.033 62.300 -0.006 0.000 1.014 11 V CB -0.655 31.153 31.823 -0.025 0.000 0.645 11 V HN 0.462 nan 8.190 nan 0.000 0.447 12 M N -0.435 119.152 119.600 -0.022 0.000 2.108 12 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 12 M C 2.457 178.754 176.300 -0.005 0.000 1.066 12 M CA 1.920 57.206 55.300 -0.022 0.000 1.107 12 M CB -0.535 32.054 32.600 -0.018 0.000 1.356 12 M HN 0.228 nan 8.290 nan 0.000 0.406 13 R N 0.069 120.571 120.500 0.003 0.000 2.120 13 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 13 R C 2.289 178.591 176.300 0.004 0.000 1.123 13 R CA 1.378 57.483 56.100 0.009 0.000 0.975 13 R CB -0.498 29.814 30.300 0.019 0.000 0.866 13 R HN 0.383 nan 8.270 nan 0.000 0.446 14 A N 0.417 123.238 122.820 0.001 0.000 1.970 14 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 14 A C 2.245 179.821 177.584 -0.012 0.000 1.170 14 A CA 0.871 52.905 52.037 -0.004 0.000 0.645 14 A CB -0.444 18.554 19.000 -0.003 0.000 0.816 14 A HN 0.395 nan 8.150 nan 0.000 0.447 15 C N -0.876 118.414 119.300 -0.017 0.000 2.446 15 C HA 0.152 4.612 4.460 -0.000 0.000 0.279 15 C C 3.115 178.097 174.990 -0.014 0.000 1.366 15 C CA 0.533 59.538 59.018 -0.021 0.000 1.763 15 C CB -1.190 26.534 27.740 -0.027 0.000 1.929 15 C HN 0.691 nan 8.230 nan 0.000 0.509 16 A N 0.380 123.195 122.820 -0.008 0.000 2.172 16 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 16 A C 2.055 179.630 177.584 -0.015 0.000 1.154 16 A CA 1.914 53.944 52.037 -0.011 0.000 0.701 16 A CB -0.730 18.265 19.000 -0.007 0.000 0.789 16 A HN 0.580 nan 8.150 nan 0.000 0.465 17 T N 0.344 114.890 114.554 -0.013 0.000 2.962 17 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 17 T C 0.291 174.980 174.700 -0.018 0.000 1.088 17 T CA 0.422 62.514 62.100 -0.014 0.000 1.127 17 T CB -0.294 68.567 68.868 -0.011 0.000 0.883 17 T HN 0.155 nan 8.240 nan 0.000 0.493 18 L N 2.676 123.886 121.223 -0.022 0.000 2.448 18 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 18 L C 1.192 178.043 176.870 -0.032 0.000 1.201 18 L CA 0.301 55.125 54.840 -0.026 0.000 1.036 18 L CB -0.031 42.011 42.059 -0.029 0.000 1.325 18 L HN 0.061 nan 8.230 nan 0.000 0.441 19 Q N 0.944 120.727 119.800 -0.029 0.000 2.324 19 Q HA 0.179 4.519 4.340 -0.000 0.000 0.207 19 Q C 0.600 176.581 176.000 -0.032 0.000 0.928 19 Q CA 0.801 56.585 55.803 -0.032 0.000 0.890 19 Q CB 0.865 29.587 28.738 -0.026 0.000 1.001 19 Q HN 0.681 nan 8.270 nan 0.000 0.517 20 E N -2.421 117.763 120.200 -0.026 0.000 2.404 20 E HA 0.567 4.917 4.350 -0.000 0.000 0.264 20 E C -0.405 176.182 176.600 -0.023 0.000 0.946 20 E CA 0.079 56.465 56.400 -0.024 0.000 0.806 20 E CB 1.352 31.040 29.700 -0.020 0.000 1.334 20 E HN 0.063 nan 8.360 nan 0.000 0.429 21 A N 1.052 123.860 122.820 -0.021 0.000 1.878 21 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 21 A C 1.734 179.310 177.584 -0.015 0.000 1.192 21 A CA 1.232 53.258 52.037 -0.018 0.000 0.619 21 A CB -0.268 18.721 19.000 -0.017 0.000 0.837 21 A HN 0.587 nan 8.150 nan 0.000 0.446 22 R N -0.117 120.375 120.500 -0.013 0.000 2.362 22 R HA 0.281 4.621 4.340 -0.000 0.000 0.227 22 R C 0.135 176.428 176.300 -0.011 0.000 0.905 22 R CA -0.160 55.933 56.100 -0.011 0.000 1.067 22 R CB -0.809 29.485 30.300 -0.010 0.000 1.078 22 R HN 0.446 nan 8.270 nan 0.000 0.516 23 I N 0.476 121.039 120.570 -0.012 0.000 2.892 23 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 23 I C 0.556 176.667 176.117 -0.010 0.000 1.205 23 I CA -1.218 60.076 61.300 -0.011 0.000 1.409 23 I CB 0.372 38.365 38.000 -0.012 0.000 1.367 23 I HN -0.072 nan 8.210 nan 0.000 0.597 24 V N 4.006 123.914 119.914 -0.009 0.000 2.644 24 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 24 V C 0.059 176.148 176.094 -0.009 0.000 1.053 24 V CA -0.823 61.472 62.300 -0.009 0.000 0.987 24 V CB 1.199 33.017 31.823 -0.008 0.000 1.006 24 V HN 0.683 nan 8.190 nan 0.000 0.472 25 L N 2.267 123.484 121.223 -0.009 0.000 2.387 25 L HA 0.530 4.870 4.340 -0.000 0.000 0.266 25 L C 0.551 177.416 176.870 -0.008 0.000 1.059 25 L CA -0.167 54.668 54.840 -0.009 0.000 0.801 25 L CB 1.147 43.200 42.059 -0.010 0.000 1.223 25 L HN 1.008 nan 8.230 nan 0.000 0.456 26 E N 0.412 120.607 120.200 -0.007 0.000 2.360 26 E HA 0.145 4.495 4.350 -0.000 0.000 0.269 26 E C 0.880 177.476 176.600 -0.007 0.000 1.022 26 E CA 0.139 56.535 56.400 -0.007 0.000 0.887 26 E CB 1.279 30.976 29.700 -0.005 0.000 0.990 26 E HN 0.674 nan 8.360 nan 0.000 0.426 27 A N 5.451 128.266 122.820 -0.008 0.000 1.929 27 A HA -0.349 3.971 4.320 -0.000 0.000 0.221 27 A C 1.996 179.573 177.584 -0.011 0.000 1.211 27 A CA 2.326 54.358 52.037 -0.009 0.000 0.657 27 A CB -0.893 18.101 19.000 -0.010 0.000 0.827 27 A HN 0.976 nan 8.150 nan 0.000 0.462 28 N N -0.461 118.233 118.700 -0.010 0.000 2.061 28 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 28 N C 1.725 177.229 175.510 -0.010 0.000 1.030 28 N CA 2.032 55.075 53.050 -0.011 0.000 0.856 28 N CB -0.169 38.314 38.487 -0.007 0.000 1.023 28 N HN 0.329 nan 8.380 nan 0.000 0.424 29 V N 1.643 121.553 119.914 -0.007 0.000 2.237 29 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 29 V C 2.393 178.481 176.094 -0.009 0.000 1.046 29 V CA 1.567 63.862 62.300 -0.008 0.000 1.007 29 V CB -0.484 31.334 31.823 -0.008 0.000 0.638 29 V HN 0.371 nan 8.190 nan 0.000 0.445 30 M N -0.361 119.234 119.600 -0.010 0.000 2.435 30 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 30 M C 2.141 178.435 176.300 -0.010 0.000 1.065 30 M CA 1.577 56.872 55.300 -0.010 0.000 1.076 30 M CB -0.347 32.247 32.600 -0.009 0.000 1.403 30 M HN 0.508 nan 8.290 nan 0.000 0.454 31 E N 0.846 121.039 120.200 -0.012 0.000 2.140 31 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 31 E C 1.814 178.406 176.600 -0.014 0.000 0.973 31 E CA 0.526 56.917 56.400 -0.015 0.000 0.829 31 E CB 0.271 29.959 29.700 -0.020 0.000 0.781 31 E HN 0.488 nan 8.360 nan 0.000 0.466 32 I N 0.985 121.548 120.570 -0.012 0.000 2.141 32 I HA -0.242 3.928 4.170 -0.000 0.000 0.236 32 I C 2.456 178.570 176.117 -0.004 0.000 1.071 32 I CA 0.730 62.026 61.300 -0.007 0.000 1.345 32 I CB -0.257 37.742 38.000 -0.001 0.000 1.066 32 I HN 0.161 nan 8.210 nan 0.000 0.406 33 L N 0.665 121.884 121.223 -0.008 0.000 2.042 33 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 33 L C 2.711 179.578 176.870 -0.005 0.000 1.076 33 L CA 1.692 56.525 54.840 -0.012 0.000 0.749 33 L CB -1.427 40.621 42.059 -0.017 0.000 0.893 33 L HN 0.387 nan 8.230 nan 0.000 0.432 34 G N 0.523 109.321 108.800 -0.004 0.000 2.513 34 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 34 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 34 G C 1.545 176.449 174.900 0.007 0.000 1.160 34 G CA 1.105 46.205 45.100 0.001 0.000 0.767 34 G HN 0.291 nan 8.290 nan 0.000 0.571 35 I N 1.073 121.647 120.570 0.006 0.000 2.141 35 I HA -0.083 4.087 4.170 -0.000 0.000 0.236 35 I C 3.354 179.487 176.117 0.026 0.000 1.071 35 I CA 0.856 62.164 61.300 0.012 0.000 1.345 35 I CB -0.582 37.422 38.000 0.006 0.000 1.066 35 I HN 0.257 nan 8.210 nan 0.000 0.406 36 A N 1.607 124.442 122.820 0.025 0.000 1.870 36 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 36 A C 2.310 179.932 177.584 0.063 0.000 1.224 36 A CA 2.215 54.275 52.037 0.038 0.000 0.650 36 A CB -1.289 17.717 19.000 0.010 0.000 0.836 36 A HN 0.424 nan 8.150 nan 0.000 0.454 37 I N -0.383 120.208 120.570 0.035 0.000 2.145 37 I HA -0.344 3.826 4.170 -0.000 0.000 0.244 37 I C 2.492 178.670 176.117 0.102 0.000 1.075 37 I CA 2.038 63.373 61.300 0.058 0.000 1.332 37 I CB -0.558 37.454 38.000 0.021 0.000 1.033 37 I HN 0.590 nan 8.210 nan 0.000 0.410 38 N N 0.970 119.708 118.700 0.062 0.000 2.084 38 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 38 N C 1.900 177.442 175.510 0.055 0.000 1.030 38 N CA 1.524 54.603 53.050 0.049 0.000 0.849 38 N CB -0.007 38.497 38.487 0.028 0.000 1.012 38 N HN 0.002 nan 8.380 nan 0.000 0.423 39 R N -0.791 119.747 120.500 0.064 0.000 2.115 39 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 39 R C 1.810 178.153 176.300 0.073 0.000 1.111 39 R CA 0.922 57.055 56.100 0.056 0.000 0.976 39 R CB -1.202 29.133 30.300 0.058 0.000 0.870 39 R HN 0.463 nan 8.270 nan 0.000 0.445 40 Y N 1.129 121.419 120.300 -0.017 0.000 2.109 40 Y HA -0.149 4.401 4.550 -0.000 0.000 0.285 40 Y C 1.425 177.297 175.900 -0.047 0.000 1.131 40 Y CA 1.889 59.973 58.100 -0.028 0.000 1.121 40 Y CB -0.451 37.996 38.460 -0.022 0.000 0.987 40 Y HN 0.130 nan 8.280 nan 0.000 0.495 41 N N -0.421 118.320 118.700 0.068 0.000 2.348 41 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 41 N C 1.870 177.326 175.510 -0.089 0.000 1.019 41 N CA 0.636 53.664 53.050 -0.037 0.000 0.880 41 N CB -0.399 38.115 38.487 0.045 0.000 0.965 41 N HN 0.521 nan 8.380 nan 0.000 0.437 42 G N 0.403 109.167 108.800 -0.061 0.000 2.422 42 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 42 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 42 G C 1.248 176.094 174.900 -0.091 0.000 1.140 42 G CA 0.438 45.503 45.100 -0.057 0.000 0.775 42 G HN 0.203 nan 8.290 nan 0.000 0.545 43 L N -0.568 120.567 121.223 -0.147 0.000 2.701 43 L HA 0.222 4.562 4.340 -0.000 0.000 0.238 43 L C 2.325 179.046 176.870 -0.249 0.000 1.106 43 L CA 0.317 55.062 54.840 -0.157 0.000 0.898 43 L CB 0.684 42.669 42.059 -0.124 0.000 1.188 43 L HN 0.045 nan 8.230 nan 0.000 0.508 44 T N -0.482 113.833 114.554 -0.398 0.000 3.034 44 T HA 0.136 4.486 4.350 -0.000 0.000 0.248 44 T C 0.859 175.328 174.700 -0.386 0.000 1.040 44 T CA 0.082 61.834 62.100 -0.581 0.000 1.107 44 T CB 0.478 68.694 68.868 -1.087 0.000 0.932 44 T HN 0.027 nan 8.240 nan 0.000 0.474 45 L N 0.347 121.421 121.223 -0.248 0.000 4.937 45 L HA -0.138 4.202 4.340 -0.000 0.000 0.422 45 L C 0.521 177.331 176.870 -0.101 0.000 1.059 45 L CA 0.776 55.535 54.840 -0.135 0.000 1.111 45 L CB -1.813 40.186 42.059 -0.100 0.000 2.033 45 L HN 0.249 nan 8.230 nan 0.000 0.708 46 R N -0.197 120.227 120.500 -0.128 0.000 2.577 46 R HA 0.593 4.933 4.340 -0.000 0.000 0.269 46 R C 1.044 177.371 176.300 0.044 0.000 1.084 46 R CA 0.329 56.418 56.100 -0.019 0.000 1.163 46 R CB 0.605 30.923 30.300 0.029 0.000 1.100 46 R HN 0.213 nan 8.270 nan 0.000 0.547 47 G N 1.215 110.054 108.800 0.066 0.000 3.286 47 G HA2 0.308 4.268 3.960 -0.000 0.000 0.303 47 G HA3 0.308 4.268 3.960 -0.000 0.000 0.303 47 G C -0.295 174.648 174.900 0.072 0.000 0.974 47 G CA -0.353 44.782 45.100 0.060 0.000 1.635 47 G HN 0.217 nan 8.290 nan 0.000 0.535 48 V N 1.934 121.902 119.914 0.089 0.000 2.432 48 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 48 V C 0.529 176.644 176.094 0.034 0.000 1.043 48 V CA -0.258 62.081 62.300 0.065 0.000 0.925 48 V CB 1.272 33.141 31.823 0.076 0.000 0.985 48 V HN 0.515 nan 8.190 nan 0.000 0.466 49 T N 5.468 120.030 114.554 0.014 0.000 2.895 49 T HA 0.344 4.694 4.350 -0.000 0.000 0.283 49 T C 1.092 175.789 174.700 -0.005 0.000 1.014 49 T CA -0.614 61.489 62.100 0.005 0.000 1.037 49 T CB 1.681 70.550 68.868 0.002 0.000 1.006 49 T HN 0.467 nan 8.240 nan 0.000 0.468 50 M N 0.705 120.302 119.600 -0.005 0.000 2.175 50 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 50 M C 1.087 177.379 176.300 -0.014 0.000 1.063 50 M CA 1.476 56.770 55.300 -0.010 0.000 1.119 50 M CB -0.162 32.434 32.600 -0.007 0.000 1.377 50 M HN 0.365 nan 8.290 nan 0.000 0.415 51 R N 0.668 121.160 120.500 -0.012 0.000 2.477 51 R HA 0.306 4.646 4.340 -0.000 0.000 0.285 51 R C -2.639 173.651 176.300 -0.016 0.000 1.415 51 R CA -1.901 54.190 56.100 -0.015 0.000 1.446 51 R CB 0.384 30.676 30.300 -0.013 0.000 1.110 51 R HN -0.065 nan 8.270 nan 0.000 0.590 52 P HA 0.126 nan 4.420 nan 0.000 0.271 52 P C -0.005 177.279 177.300 -0.027 0.000 1.216 52 P CA 0.071 63.157 63.100 -0.024 0.000 0.771 52 P CB 1.507 33.187 31.700 -0.034 0.000 0.864 53 T N -2.489 112.051 114.554 -0.023 0.000 3.010 53 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 53 T C 1.472 176.158 174.700 -0.024 0.000 0.963 53 T CA 0.590 62.676 62.100 -0.023 0.000 0.952 53 T CB -0.628 68.231 68.868 -0.016 0.000 1.182 53 T HN 0.358 nan 8.240 nan 0.000 0.495 54 S N 2.224 117.913 115.700 -0.019 0.000 2.363 54 S HA 0.267 4.737 4.470 -0.000 0.000 0.184 54 S C 1.385 175.970 174.600 -0.025 0.000 1.256 54 S CA 1.149 59.339 58.200 -0.016 0.000 1.818 54 S CB -0.532 62.664 63.200 -0.007 0.000 0.781 54 S HN 0.534 nan 8.310 nan 0.000 0.371 55 L N -1.682 119.526 121.223 -0.026 0.000 1.967 55 L HA 0.490 4.830 4.340 -0.000 0.000 0.222 55 L C 1.764 178.611 176.870 -0.038 0.000 1.189 55 L CA 0.831 55.649 54.840 -0.037 0.000 1.303 55 L CB -0.962 41.085 42.059 -0.021 0.000 2.607 55 L HN 0.435 nan 8.230 nan 0.000 0.524 56 A N 0.038 122.852 122.820 -0.010 0.000 1.969 56 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 56 A C 1.914 179.494 177.584 -0.008 0.000 1.169 56 A CA 1.959 54.001 52.037 0.008 0.000 0.635 56 A CB -0.479 18.542 19.000 0.035 0.000 0.810 56 A HN 0.685 nan 8.150 nan 0.000 0.445 57 Q N -0.799 118.991 119.800 -0.015 0.000 2.172 57 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 57 Q C 2.283 178.255 176.000 -0.047 0.000 0.964 57 Q CA 1.040 56.833 55.803 -0.016 0.000 0.855 57 Q CB -0.087 28.644 28.738 -0.012 0.000 0.918 57 Q HN 0.621 nan 8.270 nan 0.000 0.444 58 R N 0.431 120.888 120.500 -0.071 0.000 2.073 58 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 58 R C 1.837 178.038 176.300 -0.165 0.000 1.120 58 R CA 1.037 57.077 56.100 -0.100 0.000 0.967 58 R CB -0.182 30.054 30.300 -0.106 0.000 0.862 58 R HN 0.243 nan 8.270 nan 0.000 0.436 59 N N 1.097 119.653 118.700 -0.240 0.000 2.084 59 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 59 N C 1.666 176.715 175.510 -0.769 0.000 1.030 59 N CA 1.245 53.957 53.050 -0.562 0.000 0.849 59 N CB -0.267 37.931 38.487 -0.482 0.000 1.012 59 N HN 0.194 nan 8.380 nan 0.000 0.423 60 E N 0.777 120.813 120.200 -0.273 0.000 2.058 60 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 60 E C 1.980 178.582 176.600 0.003 0.000 0.997 60 E CA 1.030 57.442 56.400 0.020 0.000 0.801 60 E CB -0.183 29.571 29.700 0.090 0.000 0.746 60 E HN 0.336 nan 8.360 nan 0.000 0.450 61 M N -0.893 118.668 119.600 -0.064 0.000 2.117 61 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 61 M C 1.857 178.107 176.300 -0.084 0.000 1.065 61 M CA 1.412 56.667 55.300 -0.075 0.000 1.114 61 M CB -0.150 32.413 32.600 -0.061 0.000 1.361 61 M HN 0.243 nan 8.290 nan 0.000 0.408 62 F N 0.747 120.553 119.950 -0.239 0.000 2.134 62 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 62 F C 1.441 177.179 175.800 -0.103 0.000 1.097 62 F CA 1.589 59.464 58.000 -0.208 0.000 1.264 62 F CB -0.493 38.331 39.000 -0.293 0.000 1.001 62 F HN 0.113 nan 8.300 nan 0.000 0.479 63 F N 0.044 119.917 119.950 -0.128 0.000 2.202 63 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 63 F C 2.558 178.324 175.800 -0.055 0.000 1.082 63 F CA 1.418 59.347 58.000 -0.118 0.000 1.313 63 F CB -1.283 37.818 39.000 0.169 0.000 1.024 63 F HN 0.113 nan 8.300 nan 0.000 0.495 64 M N -0.715 118.909 119.600 0.041 0.000 2.077 64 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 64 M C 2.328 178.485 176.300 -0.238 0.000 1.070 64 M CA 2.028 57.184 55.300 -0.240 0.000 1.125 64 M CB -0.553 31.672 32.600 -0.624 0.000 1.339 64 M HN 0.187 nan 8.290 nan 0.000 0.409 65 C N 0.600 119.738 119.300 -0.271 0.000 2.413 65 C HA -0.171 4.289 4.460 -0.000 0.000 0.276 65 C C 2.600 177.446 174.990 -0.240 0.000 1.248 65 C CA 0.824 59.696 59.018 -0.243 0.000 1.742 65 C CB -1.556 26.033 27.740 -0.253 0.000 2.017 65 C HN 0.717 nan 8.230 nan 0.000 0.481 66 L N 1.560 122.554 121.223 -0.382 0.000 2.012 66 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 66 L C 2.152 178.978 176.870 -0.073 0.000 1.073 66 L CA 2.094 56.741 54.840 -0.321 0.000 0.748 66 L CB -1.084 40.670 42.059 -0.508 0.000 0.891 66 L HN 0.308 nan 8.230 nan 0.000 0.431 67 D N -0.720 119.721 120.400 0.067 0.000 2.104 67 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 67 D C 2.181 178.550 176.300 0.115 0.000 0.994 67 D CA 2.082 56.200 54.000 0.197 0.000 0.830 67 D CB -0.071 40.943 40.800 0.358 0.000 0.959 67 D HN 0.452 nan 8.370 nan 0.000 0.452 68 M N -0.241 119.395 119.600 0.060 0.000 2.229 68 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 68 M C 2.267 178.572 176.300 0.008 0.000 1.063 68 M CA 0.821 56.142 55.300 0.035 0.000 1.114 68 M CB -0.187 32.407 32.600 -0.009 0.000 1.387 68 M HN 0.025 nan 8.290 nan 0.000 0.420 69 M N 1.336 120.925 119.600 -0.019 0.000 2.077 69 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 69 M C 2.008 178.305 176.300 -0.006 0.000 1.070 69 M CA 1.969 57.255 55.300 -0.022 0.000 1.125 69 M CB -0.672 31.903 32.600 -0.041 0.000 1.339 69 M HN 0.276 nan 8.290 nan 0.000 0.409 70 L N -0.345 120.881 121.223 0.005 0.000 2.012 70 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 70 L C 2.468 179.351 176.870 0.021 0.000 1.073 70 L CA 1.497 56.347 54.840 0.018 0.000 0.748 70 L CB -1.047 41.040 42.059 0.046 0.000 0.891 70 L HN 0.308 nan 8.230 nan 0.000 0.431 71 S N 0.164 115.886 115.700 0.036 0.000 2.353 71 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 71 S C 2.205 176.814 174.600 0.014 0.000 1.035 71 S CA 1.305 59.525 58.200 0.033 0.000 1.025 71 S CB -0.455 62.776 63.200 0.053 0.000 0.902 71 S HN 0.499 nan 8.310 nan 0.000 0.440 72 A N 1.010 123.834 122.820 0.008 0.000 2.084 72 A HA 0.066 4.386 4.320 -0.000 0.000 0.221 72 A C 2.150 179.723 177.584 -0.017 0.000 1.161 72 A CA 1.763 53.795 52.037 -0.008 0.000 0.653 72 A CB -0.696 18.295 19.000 -0.015 0.000 0.802 72 A HN 0.534 nan 8.150 nan 0.000 0.457 73 A N -2.288 120.525 122.820 -0.013 0.000 1.997 73 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 73 A C 1.768 179.344 177.584 -0.014 0.000 1.178 73 A CA 1.250 53.275 52.037 -0.019 0.000 0.698 73 A CB -0.462 18.527 19.000 -0.019 0.000 0.842 73 A HN 1.916 nan 8.150 nan 0.000 0.458 74 G N -0.647 108.150 108.800 -0.005 0.000 2.207 74 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 74 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 74 G C -0.162 174.737 174.900 -0.002 0.000 1.053 74 G CA 0.082 45.180 45.100 -0.003 0.000 0.764 74 G HN 0.412 nan 8.290 nan 0.000 0.495 75 I N 0.422 120.994 120.570 0.002 0.000 2.392 75 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 75 I C 0.408 176.533 176.117 0.012 0.000 0.985 75 I CA -0.707 60.595 61.300 0.003 0.000 1.221 75 I CB 1.859 39.858 38.000 -0.002 0.000 1.366 75 I HN 0.215 nan 8.210 nan 0.000 0.467 76 N N 5.539 124.244 118.700 0.008 0.000 2.800 76 N HA 0.173 4.913 4.740 -0.000 0.000 0.240 76 N C 1.040 176.558 175.510 0.013 0.000 1.096 76 N CA -0.331 52.725 53.050 0.010 0.000 0.877 76 N CB 1.130 39.617 38.487 -0.001 0.000 1.138 76 N HN 0.601 nan 8.380 nan 0.000 0.509 77 V N 1.386 121.319 119.914 0.031 0.000 2.453 77 V HA 0.072 4.192 4.120 -0.000 0.000 0.252 77 V C 1.246 177.361 176.094 0.035 0.000 1.068 77 V CA 1.383 63.705 62.300 0.036 0.000 1.070 77 V CB -1.669 30.195 31.823 0.068 0.000 0.664 77 V HN 0.729 nan 8.190 nan 0.000 0.461 78 G N 0.781 109.598 108.800 0.028 0.000 2.725 78 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 78 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 78 G C -2.175 172.750 174.900 0.040 0.000 1.357 78 G CA -0.263 44.848 45.100 0.018 0.000 0.866 78 G HN 0.729 nan 8.290 nan 0.000 0.548 79 P HA 0.219 nan 4.420 nan 0.000 0.263 79 P C 1.055 178.476 177.300 0.201 0.000 1.345 79 P CA 0.599 63.759 63.100 0.100 0.000 1.119 79 P CB -0.648 31.101 31.700 0.080 0.000 1.363 80 I N -0.234 120.431 120.570 0.159 0.000 4.181 80 I HA 0.310 4.480 4.170 -0.000 0.000 0.331 80 I C 0.336 176.415 176.117 -0.065 0.000 1.312 80 I CA -0.206 61.174 61.300 0.134 0.000 1.146 80 I CB 0.532 38.594 38.000 0.103 0.000 1.074 80 I HN 0.144 nan 8.210 nan 0.000 0.402 81 S N 1.360 116.994 115.700 -0.110 0.000 2.537 81 S HA 0.513 4.983 4.470 -0.000 0.000 0.270 81 S C -2.322 172.195 174.600 -0.139 0.000 1.142 81 S CA -0.829 57.239 58.200 -0.221 0.000 0.870 81 S CB 1.895 65.183 63.200 0.146 0.000 1.112 81 S HN 0.006 nan 8.310 nan 0.000 0.466 82 P HA 0.155 nan 4.420 nan 0.000 0.230 82 P C 0.135 177.444 177.300 0.015 0.000 1.168 82 P CA 0.682 63.790 63.100 0.012 0.000 0.793 82 P CB 0.189 31.931 31.700 0.070 0.000 0.851 83 D N -1.510 118.923 120.400 0.055 0.000 2.271 83 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 83 D C 0.420 176.627 176.300 -0.155 0.000 0.967 83 D CA 0.650 54.689 54.000 0.064 0.000 0.867 83 D CB -0.214 40.740 40.800 0.257 0.000 0.960 83 D HN 0.254 nan 8.370 nan 0.000 0.509 84 Y N 0.842 120.917 120.300 -0.375 0.000 2.429 84 Y HA 0.440 4.990 4.550 -0.000 0.000 0.342 84 Y C -0.914 174.763 175.900 -0.372 0.000 1.004 84 Y CA -0.448 57.234 58.100 -0.697 0.000 1.075 84 Y CB 1.811 39.752 38.460 -0.865 0.000 1.214 84 Y HN -0.356 nan 8.280 nan 0.000 0.455 85 T N 6.016 119.792 114.554 -1.297 0.000 2.886 85 T HA 0.216 4.566 4.350 -0.000 0.000 0.292 85 T C -1.312 172.535 174.700 -1.422 0.000 1.012 85 T CA -0.802 60.673 62.100 -1.040 0.000 0.982 85 T CB 1.549 70.037 68.868 -0.634 0.000 1.018 85 T HN 0.693 nan 8.240 nan 0.000 0.451 86 Q N 2.493 121.726 119.800 -0.944 0.000 2.279 86 Q HA 0.167 4.507 4.340 -0.000 0.000 0.256 86 Q C -0.752 174.981 176.000 -0.445 0.000 0.937 86 Q CA -0.479 55.021 55.803 -0.505 0.000 0.933 86 Q CB 0.466 29.139 28.738 -0.108 0.000 1.189 86 Q HN 0.661 nan 8.270 nan 0.000 0.417 87 H N 6.246 125.243 119.070 -0.121 0.000 2.597 87 H HA 0.122 4.678 4.556 -0.000 0.000 0.303 87 H C 0.694 175.997 175.328 -0.041 0.000 1.057 87 H CA -0.493 55.498 56.048 -0.095 0.000 1.261 87 H CB 1.163 30.854 29.762 -0.118 0.000 1.397 87 H HN 0.705 nan 8.280 nan 0.000 0.461 88 M N 1.636 121.252 119.600 0.026 0.000 2.279 88 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 88 M C 2.227 178.548 176.300 0.035 0.000 1.062 88 M CA 0.731 56.045 55.300 0.023 0.000 1.099 88 M CB -0.942 31.655 32.600 -0.004 0.000 1.394 88 M HN 0.630 nan 8.290 nan 0.000 0.426 89 A N 0.260 123.101 122.820 0.035 0.000 2.070 89 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 89 A C 2.219 179.812 177.584 0.014 0.000 1.159 89 A CA 1.883 53.925 52.037 0.008 0.000 0.656 89 A CB -1.091 17.894 19.000 -0.025 0.000 0.800 89 A HN 0.503 nan 8.150 nan 0.000 0.453 90 T N 0.179 114.765 114.554 0.054 0.000 2.822 90 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 90 T C 1.707 176.463 174.700 0.093 0.000 1.064 90 T CA 1.556 63.725 62.100 0.114 0.000 1.131 90 T CB -0.382 68.610 68.868 0.207 0.000 0.858 90 T HN 0.473 nan 8.240 nan 0.000 0.483 91 I N 1.719 122.325 120.570 0.061 0.000 2.226 91 I HA -0.015 4.155 4.170 -0.000 0.000 0.245 91 I C 2.501 178.641 176.117 0.037 0.000 1.100 91 I CA 1.327 62.654 61.300 0.044 0.000 1.374 91 I CB -0.860 37.157 38.000 0.029 0.000 1.057 91 I HN 0.236 nan 8.210 nan 0.000 0.413 92 G N -0.412 108.405 108.800 0.028 0.000 2.432 92 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 92 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 92 G C 1.621 176.540 174.900 0.032 0.000 1.135 92 G CA 1.108 46.221 45.100 0.022 0.000 0.767 92 G HN 0.377 nan 8.290 nan 0.000 0.550 93 V N 0.578 120.520 119.914 0.046 0.000 2.358 93 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 93 V C 2.659 178.798 176.094 0.075 0.000 1.047 93 V CA 0.975 63.316 62.300 0.069 0.000 1.035 93 V CB -0.385 31.514 31.823 0.126 0.000 0.658 93 V HN 0.219 nan 8.190 nan 0.000 0.452 94 L N 0.339 121.606 121.223 0.073 0.000 2.376 94 L HA 0.120 4.460 4.340 -0.000 0.000 0.219 94 L C 2.299 179.203 176.870 0.057 0.000 1.133 94 L CA 1.649 56.528 54.840 0.065 0.000 0.816 94 L CB -1.021 41.070 42.059 0.053 0.000 0.933 94 L HN 0.304 nan 8.230 nan 0.000 0.449 95 A N -2.197 120.652 122.820 0.047 0.000 2.195 95 A HA 0.082 4.402 4.320 -0.000 0.000 0.210 95 A C 1.129 178.741 177.584 0.047 0.000 1.165 95 A CA 0.116 52.178 52.037 0.042 0.000 0.806 95 A CB -0.557 18.460 19.000 0.029 0.000 0.847 95 A HN 0.277 nan 8.150 nan 0.000 0.482 96 T N 3.376 117.960 114.554 0.049 0.000 2.765 96 T HA 0.165 4.515 4.350 -0.000 0.000 0.284 96 T C -1.313 173.421 174.700 0.056 0.000 0.946 96 T CA -0.404 61.723 62.100 0.045 0.000 1.185 96 T CB 0.840 69.733 68.868 0.042 0.000 0.887 96 T HN 0.318 nan 8.240 nan 0.000 0.532 97 P HA -0.108 nan 4.420 nan 0.000 0.225 97 P C 0.884 178.204 177.300 0.033 0.000 1.148 97 P CA 0.986 64.120 63.100 0.055 0.000 0.779 97 P CB 0.374 32.099 31.700 0.041 0.000 0.780 98 E N -0.048 120.166 120.200 0.023 0.000 2.208 98 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 98 E C 0.913 177.514 176.600 0.002 0.000 0.988 98 E CA 0.229 56.633 56.400 0.006 0.000 0.828 98 E CB -0.242 29.463 29.700 0.008 0.000 0.763 98 E HN 0.349 nan 8.360 nan 0.000 0.478 99 I N 4.146 124.732 120.570 0.027 0.000 2.436 99 I HA 0.091 4.261 4.170 -0.000 0.000 0.289 99 I C -1.962 174.168 176.117 0.023 0.000 1.083 99 I CA -1.919 59.400 61.300 0.032 0.000 1.372 99 I CB 0.380 38.417 38.000 0.063 0.000 1.408 99 I HN -0.114 nan 8.210 nan 0.000 0.516 100 P HA 0.331 nan 4.420 nan 0.000 0.278 100 P C -1.142 176.120 177.300 -0.063 0.000 1.258 100 P CA -0.179 62.818 63.100 -0.172 0.000 0.811 100 P CB 1.081 32.677 31.700 -0.175 0.000 1.063 101 F N -2.483 117.469 119.950 0.003 0.000 2.620 101 F HA 0.655 5.182 4.527 -0.000 0.000 0.320 101 F C 0.052 175.854 175.800 0.004 0.000 1.069 101 F CA -1.209 56.793 58.000 0.003 0.000 0.953 101 F CB 0.215 39.218 39.000 0.004 0.000 1.322 101 F HN 0.257 nan 8.300 nan 0.000 0.479 102 T N -2.379 112.333 114.554 0.265 0.000 2.904 102 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 102 T C 0.778 175.614 174.700 0.226 0.000 1.018 102 T CA -0.061 62.135 62.100 0.160 0.000 1.075 102 T CB 1.162 70.091 68.868 0.102 0.000 0.986 102 T HN 0.729 nan 8.240 nan 0.000 0.523 103 T N 1.501 116.134 114.554 0.132 0.000 2.746 103 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 103 T C 1.744 176.508 174.700 0.107 0.000 1.039 103 T CA 1.609 63.784 62.100 0.125 0.000 1.142 103 T CB -0.370 68.538 68.868 0.067 0.000 0.866 103 T HN 0.725 nan 8.240 nan 0.000 0.444 104 E N 1.760 122.010 120.200 0.083 0.000 2.049 104 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 104 E C 2.437 179.080 176.600 0.072 0.000 1.007 104 E CA 1.410 57.849 56.400 0.065 0.000 0.809 104 E CB -0.695 29.037 29.700 0.053 0.000 0.749 104 E HN 0.522 nan 8.360 nan 0.000 0.450 105 A N 0.741 123.613 122.820 0.086 0.000 1.969 105 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 105 A C 2.312 179.904 177.584 0.013 0.000 1.169 105 A CA 1.744 53.816 52.037 0.057 0.000 0.635 105 A CB -0.764 18.276 19.000 0.066 0.000 0.810 105 A HN 0.273 nan 8.150 nan 0.000 0.445 106 A N 0.742 123.595 122.820 0.055 0.000 1.845 106 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 106 A C 1.960 179.545 177.584 0.003 0.000 1.195 106 A CA 1.645 53.679 52.037 -0.005 0.000 0.616 106 A CB -0.823 18.274 19.000 0.162 0.000 0.832 106 A HN 0.668 nan 8.150 nan 0.000 0.443 107 N N -0.651 118.074 118.700 0.042 0.000 2.166 107 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 107 N C 1.773 177.314 175.510 0.052 0.000 1.019 107 N CA 1.408 54.481 53.050 0.037 0.000 0.856 107 N CB -0.196 38.313 38.487 0.036 0.000 0.993 107 N HN 0.642 nan 8.380 nan 0.000 0.426 108 E N 0.712 120.953 120.200 0.069 0.000 2.058 108 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 108 E C 2.003 178.680 176.600 0.129 0.000 0.997 108 E CA 0.888 57.372 56.400 0.139 0.000 0.801 108 E CB 0.133 29.911 29.700 0.130 0.000 0.746 108 E HN 0.243 nan 8.360 nan 0.000 0.450 109 I N 0.652 121.238 120.570 0.026 0.000 2.202 109 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 109 I C 2.515 178.628 176.117 -0.007 0.000 1.091 109 I CA 1.108 62.394 61.300 -0.024 0.000 1.368 109 I CB -1.544 36.403 38.000 -0.088 0.000 1.058 109 I HN 0.070 nan 8.210 nan 0.000 0.410 110 A N 1.063 123.880 122.820 -0.005 0.000 1.958 110 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 110 A C 2.443 180.041 177.584 0.023 0.000 1.178 110 A CA 2.419 54.456 52.037 0.000 0.000 0.642 110 A CB -0.646 18.357 19.000 0.005 0.000 0.816 110 A HN 0.347 nan 8.150 nan 0.000 0.453 111 R N -0.203 120.336 120.500 0.065 0.000 2.062 111 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 111 R C 1.897 178.264 176.300 0.112 0.000 1.136 111 R CA 2.091 58.250 56.100 0.097 0.000 0.948 111 R CB -1.186 29.204 30.300 0.150 0.000 0.845 111 R HN 0.242 nan 8.270 nan 0.000 0.430 112 V N 0.414 120.400 119.914 0.119 0.000 2.231 112 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 112 V C 2.157 178.235 176.094 -0.027 0.000 1.054 112 V CA 2.589 64.896 62.300 0.013 0.000 1.015 112 V CB -1.004 30.751 31.823 -0.113 0.000 0.638 112 V HN 0.500 nan 8.190 nan 0.000 0.444 113 T N 0.230 114.761 114.554 -0.038 0.000 2.759 113 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 113 T C 1.873 176.541 174.700 -0.053 0.000 1.042 113 T CA 1.534 63.602 62.100 -0.053 0.000 1.140 113 T CB -0.737 68.101 68.868 -0.050 0.000 0.864 113 T HN 0.651 nan 8.240 nan 0.000 0.455 114 G N 2.002 110.784 108.800 -0.029 0.000 2.433 114 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 1.485 176.356 174.900 -0.049 0.000 1.186 114 G CA 1.347 46.429 45.100 -0.030 0.000 0.779 114 G HN 0.702 nan 8.290 nan 0.000 0.543 115 E N -0.664 119.514 120.200 -0.036 0.000 2.076 115 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 115 E C 2.206 178.729 176.600 -0.128 0.000 0.979 115 E CA 1.489 57.855 56.400 -0.056 0.000 0.807 115 E CB -1.000 28.697 29.700 -0.005 0.000 0.761 115 E HN 0.174 nan 8.360 nan 0.000 0.454 116 T N -0.270 114.214 114.554 -0.116 0.000 2.977 116 T HA -0.105 4.245 4.350 -0.000 0.000 0.271 116 T C 1.722 176.271 174.700 -0.252 0.000 1.105 116 T CA 1.509 63.511 62.100 -0.163 0.000 1.116 116 T CB -0.441 68.359 68.868 -0.114 0.000 0.878 116 T HN 0.444 nan 8.240 nan 0.000 0.509 117 S N -1.251 114.306 115.700 -0.238 0.000 2.486 117 S HA 0.173 4.643 4.470 -0.000 0.000 0.220 117 S C 1.063 175.391 174.600 -0.453 0.000 1.011 117 S CA 0.087 58.121 58.200 -0.277 0.000 0.921 117 S CB 0.187 63.295 63.200 -0.153 0.000 0.785 117 S HN 0.378 nan 8.310 nan 0.000 0.517 118 T N -0.051 114.235 114.554 -0.446 0.000 2.858 118 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 118 T C -1.591 172.806 174.700 -0.506 0.000 1.052 118 T CA -0.955 60.869 62.100 -0.460 0.000 1.009 118 T CB 0.922 69.751 68.868 -0.065 0.000 1.241 118 T HN 0.430 nan 8.240 nan 0.000 0.542 119 W N -0.262 121.043 121.300 0.007 0.000 2.758 119 W HA 0.682 5.342 4.660 -0.000 0.000 0.355 119 W C 0.303 176.827 176.519 0.008 0.000 1.223 119 W CA -0.883 56.466 57.345 0.007 0.000 1.182 119 W CB 1.359 30.822 29.460 0.004 0.000 1.464 119 W HN 1.019 nan 8.180 nan 0.000 0.630 120 G N 0.933 109.888 108.800 0.259 0.000 2.519 120 G HA2 0.370 4.330 3.960 -0.000 0.000 0.292 120 G HA3 0.370 4.330 3.960 -0.000 0.000 0.292 120 G C -3.159 171.807 174.900 0.110 0.000 1.507 120 G CA -0.931 44.256 45.100 0.145 0.000 0.806 120 G HN 0.032 nan 8.290 nan 0.000 0.523 121 P HA 0.545 nan 4.420 nan 0.000 0.276 121 P C -0.475 176.854 177.300 0.048 0.000 1.230 121 P CA -0.020 63.121 63.100 0.068 0.000 0.776 121 P CB 1.806 33.551 31.700 0.076 0.000 0.888 122 A N 3.306 126.143 122.820 0.029 0.000 2.566 122 A HA 0.439 4.759 4.320 -0.000 0.000 0.297 122 A C -0.429 177.132 177.584 -0.040 0.000 1.059 122 A CA -0.924 51.110 52.037 -0.005 0.000 0.691 122 A CB 1.244 20.235 19.000 -0.013 0.000 1.282 122 A HN 0.431 nan 8.150 nan 0.000 0.401 123 R N 1.768 122.232 120.500 -0.060 0.000 2.446 123 R HA 0.142 4.482 4.340 -0.000 0.000 0.314 123 R C -0.266 175.942 176.300 -0.153 0.000 1.003 123 R CA -0.017 56.032 56.100 -0.085 0.000 1.018 123 R CB 0.307 30.498 30.300 -0.182 0.000 0.945 123 R HN 0.622 nan 8.270 nan 0.000 0.419 124 Q N 4.470 124.115 119.800 -0.259 0.000 2.352 124 Q HA 0.054 4.394 4.340 -0.000 0.000 0.260 124 Q C -1.243 174.637 176.000 -0.200 0.000 0.976 124 Q CA -1.503 54.108 55.803 -0.320 0.000 0.881 124 Q CB 0.757 29.085 28.738 -0.683 0.000 1.235 124 Q HN 0.483 nan 8.270 nan 0.000 0.419 125 P HA -0.098 nan 4.420 nan 0.000 0.222 125 P C -0.349 176.740 177.300 -0.352 0.000 1.153 125 P CA 1.263 64.108 63.100 -0.425 0.000 0.798 125 P CB 0.356 31.604 31.700 -0.752 0.000 0.796 126 Y N 0.096 120.466 120.300 0.117 0.000 2.568 126 Y HA 0.588 5.138 4.550 -0.000 0.000 0.327 126 Y C 1.609 177.660 175.900 0.253 0.000 1.163 126 Y CA -1.336 56.855 58.100 0.151 0.000 1.219 126 Y CB -0.301 38.230 38.460 0.117 0.000 1.308 126 Y HN -0.183 nan 8.280 nan 0.000 0.503 127 G N -0.045 108.994 108.800 0.400 0.000 2.554 127 G HA2 0.038 3.998 3.960 -0.000 0.000 0.238 127 G HA3 0.038 3.998 3.960 -0.000 0.000 0.238 127 G C 0.358 175.426 174.900 0.281 0.000 1.259 127 G CA -0.204 45.100 45.100 0.341 0.000 0.843 127 G HN 0.706 nan 8.290 nan 0.000 0.582 128 F N 1.271 121.222 119.950 0.002 0.000 2.095 128 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 128 F C 1.613 177.143 175.800 -0.450 0.000 1.104 128 F CA 1.200 58.919 58.000 -0.470 0.000 1.232 128 F CB -0.020 38.522 39.000 -0.765 0.000 0.987 128 F HN 0.333 nan 8.300 nan 0.000 0.475 129 F N 0.071 120.174 119.950 0.254 0.000 2.898 129 F HA 0.180 4.707 4.527 -0.000 0.000 0.290 129 F C 1.248 177.099 175.800 0.084 0.000 1.195 129 F CA -0.256 57.834 58.000 0.149 0.000 1.387 129 F CB -0.405 38.668 39.000 0.121 0.000 0.976 129 F HN -0.049 nan 8.300 nan 0.000 0.510 130 L N 0.318 121.642 121.223 0.168 0.000 2.156 130 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 130 L C 1.557 178.479 176.870 0.087 0.000 1.095 130 L CA 1.827 56.741 54.840 0.124 0.000 0.770 130 L CB -0.243 41.877 42.059 0.103 0.000 0.914 130 L HN 0.143 nan 8.230 nan 0.000 0.439 131 E N 0.205 120.450 120.200 0.076 0.000 2.304 131 E HA 0.077 4.427 4.350 -0.000 0.000 0.212 131 E C -0.147 176.500 176.600 0.078 0.000 1.185 131 E CA 0.080 56.516 56.400 0.060 0.000 1.326 131 E CB -0.375 29.349 29.700 0.040 0.000 1.283 131 E HN 0.474 nan 8.360 nan 0.000 0.440 132 T N -2.753 111.863 114.554 0.104 0.000 2.829 132 T HA 0.258 4.608 4.350 -0.000 0.000 0.282 132 T C 0.833 175.564 174.700 0.052 0.000 0.990 132 T CA -0.778 61.383 62.100 0.101 0.000 1.028 132 T CB 2.029 70.980 68.868 0.139 0.000 0.951 132 T HN 0.009 nan 8.240 nan 0.000 0.460 133 E N 1.201 121.422 120.200 0.035 0.000 2.170 133 E HA 0.035 4.385 4.350 -0.000 0.000 0.191 133 E C 0.151 176.737 176.600 -0.023 0.000 0.981 133 E CA 0.612 57.016 56.400 0.006 0.000 0.830 133 E CB 0.347 30.050 29.700 0.004 0.000 0.775 133 E HN 0.739 nan 8.360 nan 0.000 0.470 134 E N 0.445 120.633 120.200 -0.020 0.000 2.222 134 E HA 0.348 4.698 4.350 -0.000 0.000 0.267 134 E C -0.860 175.708 176.600 -0.054 0.000 0.884 134 E CA -0.356 55.993 56.400 -0.086 0.000 0.764 134 E CB 2.416 32.060 29.700 -0.092 0.000 1.169 134 E HN -0.183 nan 8.360 nan 0.000 0.413 135 T N 1.908 116.367 114.554 -0.158 0.000 2.909 135 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 135 T C -1.603 172.969 174.700 -0.214 0.000 1.073 135 T CA -0.573 61.498 62.100 -0.049 0.000 0.999 135 T CB 0.482 69.331 68.868 -0.031 0.000 1.098 135 T HN 0.253 nan 8.240 nan 0.000 0.477 136 F N 1.872 121.721 119.950 -0.168 0.000 2.523 136 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 136 F C 0.701 176.439 175.800 -0.103 0.000 1.061 136 F CA -1.034 56.861 58.000 -0.176 0.000 0.967 136 F CB 1.433 40.273 39.000 -0.266 0.000 1.218 136 F HN 0.497 nan 8.300 nan 0.000 0.480 137 Q N 4.483 124.339 119.800 0.093 0.000 2.274 137 Q HA 0.124 4.464 4.340 -0.000 0.000 0.280 137 Q C -2.366 173.687 176.000 0.089 0.000 1.047 137 Q CA -1.648 54.198 55.803 0.073 0.000 0.907 137 Q CB 0.692 29.474 28.738 0.073 0.000 1.171 137 Q HN 0.182 nan 8.270 nan 0.000 0.381 138 P HA 0.058 nan 4.420 nan 0.000 0.270 138 P C 0.096 177.448 177.300 0.086 0.000 1.242 138 P CA 0.800 63.937 63.100 0.061 0.000 0.768 138 P CB 0.625 32.355 31.700 0.050 0.000 0.820 139 G N 2.649 111.506 108.800 0.095 0.000 2.141 139 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 139 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 139 G C 0.116 175.160 174.900 0.239 0.000 0.984 139 G CA -0.200 44.993 45.100 0.155 0.000 0.660 139 G HN 0.759 nan 8.290 nan 0.000 0.525 140 R N 0.013 120.638 120.500 0.208 0.000 2.514 140 R HA 0.494 4.834 4.340 -0.000 0.000 0.301 140 R C 0.336 176.831 176.300 0.325 0.000 0.962 140 R CA -1.089 55.184 56.100 0.288 0.000 0.882 140 R CB 0.640 31.078 30.300 0.230 0.000 1.143 140 R HN 0.259 nan 8.270 nan 0.000 0.452 141 W N 6.655 128.107 121.300 0.252 0.000 2.181 141 W HA 0.196 4.856 4.660 -0.000 0.000 0.335 141 W C -1.711 174.954 176.519 0.243 0.000 1.310 141 W CA 0.148 57.618 57.345 0.209 0.000 1.226 141 W CB 0.542 30.163 29.460 0.268 0.000 1.155 141 W HN 0.569 nan 8.180 nan 0.000 0.565 142 F N 8.161 127.707 119.950 -0.675 0.000 2.749 142 F HA 0.279 4.806 4.527 -0.000 0.000 0.339 142 F C -1.551 173.798 175.800 -0.752 0.000 1.211 142 F CA -0.932 56.769 58.000 -0.497 0.000 1.099 142 F CB 1.000 39.861 39.000 -0.232 0.000 1.359 142 F HN 0.185 nan 8.300 nan 0.000 0.549 143 M N 7.075 126.034 119.600 -1.068 0.000 2.046 143 M HA 0.467 4.947 4.480 -0.000 0.000 0.309 143 M C -0.754 175.151 176.300 -0.658 0.000 0.935 143 M CA -0.445 54.423 55.300 -0.719 0.000 0.915 143 M CB 1.107 33.478 32.600 -0.381 0.000 1.474 143 M HN 0.617 nan 8.290 nan 0.000 0.415 144 R N 3.129 123.359 120.500 -0.450 0.000 2.570 144 R HA 0.558 4.898 4.340 -0.000 0.000 0.277 144 R C -0.271 175.930 176.300 -0.165 0.000 1.039 144 R CA 0.280 56.234 56.100 -0.243 0.000 1.065 144 R CB 0.526 30.806 30.300 -0.033 0.000 0.964 144 R HN 0.911 nan 8.270 nan 0.000 0.428 145 A N 3.536 126.286 122.820 -0.116 0.000 2.584 145 A HA 0.265 4.585 4.320 -0.000 0.000 0.239 145 A C 1.245 178.803 177.584 -0.043 0.000 1.043 145 A CA 0.884 52.882 52.037 -0.066 0.000 0.756 145 A CB -0.439 18.540 19.000 -0.036 0.000 0.963 145 A HN 1.399 nan 8.150 nan 0.000 0.511 146 A N 1.502 124.303 122.820 -0.033 0.000 3.383 146 A HA -0.188 4.132 4.320 -0.000 0.000 0.264 146 A C 0.444 178.013 177.584 -0.025 0.000 1.154 146 A CA 1.722 53.747 52.037 -0.021 0.000 1.179 146 A CB -2.308 16.683 19.000 -0.013 0.000 1.133 146 A HN 0.983 nan 8.150 nan 0.000 0.933 147 Q N -1.685 118.089 119.800 -0.043 0.000 2.235 147 Q HA 0.702 5.042 4.340 -0.000 0.000 0.256 147 Q C 1.088 177.059 176.000 -0.048 0.000 0.951 147 Q CA 0.059 55.832 55.803 -0.050 0.000 0.890 147 Q CB 1.703 30.398 28.738 -0.071 0.000 1.279 147 Q HN 0.864 nan 8.270 nan 0.000 0.444 148 A N 1.158 123.955 122.820 -0.038 0.000 2.063 148 A HA 0.441 4.761 4.320 -0.000 0.000 0.211 148 A C 0.454 178.007 177.584 -0.052 0.000 1.177 148 A CA 0.685 52.709 52.037 -0.021 0.000 0.759 148 A CB 0.493 19.489 19.000 -0.007 0.000 0.857 148 A HN 0.607 nan 8.150 nan 0.000 0.468 149 A N -0.411 122.357 122.820 -0.087 0.000 2.343 149 A HA 0.635 4.955 4.320 -0.000 0.000 0.308 149 A C -0.630 176.859 177.584 -0.159 0.000 1.092 149 A CA -0.270 51.689 52.037 -0.130 0.000 0.751 149 A CB 0.949 19.877 19.000 -0.120 0.000 1.203 149 A HN 0.048 nan 8.150 nan 0.000 0.452 150 T N 2.210 116.629 114.554 -0.225 0.000 2.963 150 T HA 0.581 4.931 4.350 -0.000 0.000 0.328 150 T C -0.016 174.533 174.700 -0.252 0.000 1.048 150 T CA 0.025 61.989 62.100 -0.225 0.000 1.033 150 T CB 1.093 69.806 68.868 -0.257 0.000 1.010 150 T HN 1.132 nan 8.240 nan 0.000 0.469 151 A N 2.996 125.685 122.820 -0.219 0.000 2.327 151 A HA 0.864 5.184 4.320 -0.000 0.000 0.283 151 A C -0.236 177.145 177.584 -0.338 0.000 1.127 151 A CA -0.494 51.392 52.037 -0.251 0.000 0.810 151 A CB 0.750 19.637 19.000 -0.189 0.000 1.066 151 A HN 0.685 nan 8.150 nan 0.000 0.492 152 V N 2.482 122.141 119.914 -0.425 0.000 3.147 152 V HA 0.484 4.604 4.120 -0.000 0.000 0.299 152 V C -0.241 175.542 176.094 -0.517 0.000 1.302 152 V CA -0.240 61.709 62.300 -0.585 0.000 1.015 152 V CB 2.441 33.663 31.823 -1.002 0.000 1.086 152 V HN 1.402 nan 8.190 nan 0.000 0.437 153 V N 1.895 121.526 119.914 -0.472 0.000 3.003 153 V HA 0.521 4.641 4.120 -0.000 0.000 0.305 153 V C 0.718 176.719 176.094 -0.156 0.000 1.078 153 V CA 0.653 62.705 62.300 -0.412 0.000 1.083 153 V CB 1.010 32.590 31.823 -0.405 0.000 1.039 153 V HN 1.546 nan 8.190 nan 0.000 0.481 154 C N 0.217 119.444 119.300 -0.122 0.000 4.095 154 C HA 0.839 5.299 4.460 -0.000 0.000 0.327 154 C C 0.712 175.705 174.990 0.004 0.000 1.811 154 C CA 0.104 59.112 59.018 -0.016 0.000 1.785 154 C CB -0.842 26.885 27.740 -0.022 0.000 3.120 154 C HN 1.745 nan 8.230 nan 0.000 0.621 155 G N 0.599 109.400 108.800 0.000 0.000 2.430 155 G HA2 0.546 4.506 3.960 -0.000 0.000 0.300 155 G HA3 0.546 4.506 3.960 -0.000 0.000 0.300 155 G C -2.849 172.122 174.900 0.119 0.000 1.330 155 G CA -0.340 44.794 45.100 0.056 0.000 0.813 155 G HN -0.214 nan 8.290 nan 0.000 0.487 156 P HA 0.110 nan 4.420 nan 0.000 0.221 156 P C 0.259 177.757 177.300 0.330 0.000 1.150 156 P CA 1.617 64.851 63.100 0.223 0.000 0.800 156 P CB 0.277 32.080 31.700 0.172 0.000 0.787 157 D N -2.742 117.837 120.400 0.299 0.000 2.865 157 D HA 0.262 4.902 4.640 -0.000 0.000 0.347 157 D C -0.299 176.169 176.300 0.280 0.000 1.498 157 D CA -0.149 54.060 54.000 0.349 0.000 0.787 157 D CB -0.298 40.672 40.800 0.282 0.000 1.190 157 D HN 0.021 nan 8.370 nan 0.000 0.445 158 M N 1.641 121.364 119.600 0.204 0.000 2.322 158 M HA 0.539 5.019 4.480 -0.000 0.000 0.286 158 M C -2.095 174.139 176.300 -0.111 0.000 1.111 158 M CA -0.561 54.783 55.300 0.073 0.000 0.941 158 M CB 2.636 35.273 32.600 0.061 0.000 1.671 158 M HN 0.215 nan 8.290 nan 0.000 0.470 159 I N 1.325 121.814 120.570 -0.136 0.000 2.865 159 I HA 0.779 4.949 4.170 -0.000 0.000 0.302 159 I C -1.697 174.326 176.117 -0.157 0.000 1.140 159 I CA -0.588 60.546 61.300 -0.278 0.000 1.021 159 I CB 2.550 40.271 38.000 -0.466 0.000 1.233 159 I HN 0.790 nan 8.210 nan 0.000 0.427 160 Q N 3.647 123.328 119.800 -0.199 0.000 2.305 160 Q HA 0.723 5.063 4.340 -0.000 0.000 0.271 160 Q C -1.841 174.031 176.000 -0.214 0.000 1.046 160 Q CA -1.021 54.688 55.803 -0.158 0.000 0.798 160 Q CB 2.788 31.449 28.738 -0.130 0.000 1.286 160 Q HN 0.590 nan 8.270 nan 0.000 0.435 161 V N 1.841 121.641 119.914 -0.189 0.000 2.398 161 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 161 V C -0.235 175.704 176.094 -0.259 0.000 1.026 161 V CA -0.602 61.564 62.300 -0.223 0.000 0.868 161 V CB 1.573 33.283 31.823 -0.189 0.000 0.982 161 V HN 0.856 nan 8.190 nan 0.000 0.443 162 S N 6.569 122.055 115.700 -0.356 0.000 2.404 162 S HA 0.545 5.015 4.470 -0.000 0.000 0.309 162 S C -0.440 173.942 174.600 -0.365 0.000 1.076 162 S CA -0.487 57.399 58.200 -0.523 0.000 1.095 162 S CB 0.213 62.791 63.200 -1.036 0.000 0.972 162 S HN 0.388 nan 8.310 nan 0.000 0.484 163 L N 3.818 124.977 121.223 -0.106 0.000 2.317 163 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 163 L C 0.529 177.546 176.870 0.244 0.000 1.024 163 L CA -0.522 54.325 54.840 0.012 0.000 0.810 163 L CB 1.023 43.068 42.059 -0.024 0.000 1.240 163 L HN 0.474 nan 8.230 nan 0.000 0.427 164 N N 0.818 119.645 118.700 0.210 0.000 2.408 164 N HA 0.343 5.083 4.740 -0.000 0.000 0.260 164 N C -0.036 175.546 175.510 0.121 0.000 1.242 164 N CA -0.377 52.818 53.050 0.242 0.000 0.959 164 N CB 1.117 39.708 38.487 0.173 0.000 1.201 164 N HN 0.693 nan 8.380 nan 0.000 0.511 165 A N -0.305 122.565 122.820 0.083 0.000 2.522 165 A HA 0.417 4.737 4.320 -0.000 0.000 0.256 165 A C 1.251 178.855 177.584 0.034 0.000 1.086 165 A CA 0.591 52.657 52.037 0.048 0.000 0.763 165 A CB -0.963 18.053 19.000 0.026 0.000 1.024 165 A HN 0.884 nan 8.150 nan 0.000 0.502 166 G N 0.957 109.771 108.800 0.025 0.000 2.148 166 G HA2 0.123 4.083 3.960 -0.000 0.000 0.254 166 G HA3 0.123 4.083 3.960 -0.000 0.000 0.254 166 G C 0.544 175.448 174.900 0.007 0.000 0.981 166 G CA 0.563 45.671 45.100 0.014 0.000 0.670 166 G HN 2.104 nan 8.290 nan 0.000 0.528 167 A N -0.258 122.565 122.820 0.006 0.000 2.271 167 A HA 0.969 5.289 4.320 -0.000 0.000 0.288 167 A C 0.594 178.147 177.584 -0.052 0.000 1.094 167 A CA 0.555 52.586 52.037 -0.010 0.000 0.828 167 A CB 0.610 19.610 19.000 0.001 0.000 1.091 167 A HN 1.579 nan 8.150 nan 0.000 0.493 168 R N -0.412 120.050 120.500 -0.063 0.000 2.692 168 R HA 0.781 5.121 4.340 -0.000 0.000 0.269 168 R C -0.346 175.898 176.300 -0.093 0.000 1.030 168 R CA -0.336 55.680 56.100 -0.139 0.000 0.882 168 R CB 1.171 31.436 30.300 -0.059 0.000 1.250 168 R HN 1.871 nan 8.270 nan 0.000 0.465 169 G N 0.677 109.350 108.800 -0.212 0.000 2.325 169 G HA2 0.270 4.230 3.960 -0.000 0.000 0.297 169 G HA3 0.270 4.230 3.960 -0.000 0.000 0.297 169 G C -1.979 172.926 174.900 0.008 0.000 1.448 169 G CA -0.882 44.218 45.100 -0.000 0.000 0.838 169 G HN 0.500 nan 8.290 nan 0.000 0.579 170 D N -0.710 119.758 120.400 0.113 0.000 2.313 170 D HA 0.510 5.150 4.640 -0.000 0.000 0.247 170 D C 0.944 177.243 176.300 -0.000 0.000 1.094 170 D CA -0.230 53.816 54.000 0.077 0.000 0.925 170 D CB 2.137 42.981 40.800 0.073 0.000 1.188 170 D HN 0.170 nan 8.370 nan 0.000 0.430 171 V N 1.198 121.103 119.914 -0.015 0.000 3.497 171 V HA -0.102 4.018 4.120 -0.000 0.000 0.272 171 V C 2.177 178.372 176.094 0.169 0.000 1.474 171 V CA -0.089 62.224 62.300 0.022 0.000 1.025 171 V CB 0.080 31.889 31.823 -0.024 0.000 0.820 171 V HN 0.516 nan 8.190 nan 0.000 0.437 172 Q N 2.151 122.043 119.800 0.153 0.000 2.197 172 Q HA -0.332 4.008 4.340 -0.000 0.000 0.211 172 Q C 1.820 178.086 176.000 0.444 0.000 0.993 172 Q CA 2.485 58.509 55.803 0.368 0.000 0.883 172 Q CB -0.785 28.160 28.738 0.345 0.000 0.916 172 Q HN 0.803 nan 8.270 nan 0.000 0.418 173 Q N 0.418 120.370 119.800 0.255 0.000 2.439 173 Q HA -0.107 4.233 4.340 -0.000 0.000 0.211 173 Q C 1.822 177.938 176.000 0.194 0.000 0.978 173 Q CA 1.163 57.084 55.803 0.197 0.000 0.897 173 Q CB -0.514 28.291 28.738 0.113 0.000 0.956 173 Q HN 0.484 nan 8.270 nan 0.000 0.483 174 I N -0.221 120.464 120.570 0.193 0.000 2.876 174 I HA -0.015 4.155 4.170 -0.000 0.000 0.264 174 I C 1.189 177.406 176.117 0.166 0.000 1.204 174 I CA 0.518 61.856 61.300 0.062 0.000 1.485 174 I CB -0.067 37.836 38.000 -0.163 0.000 1.103 174 I HN -0.051 nan 8.210 nan 0.000 0.446 175 F N 0.158 120.282 119.950 0.289 0.000 2.317 175 F HA 0.157 4.684 4.527 -0.000 0.000 0.293 175 F C 1.558 177.499 175.800 0.235 0.000 1.085 175 F CA 0.234 58.390 58.000 0.260 0.000 1.390 175 F CB -0.678 38.428 39.000 0.176 0.000 1.077 175 F HN -0.056 nan 8.300 nan 0.000 0.517 176 Q N -0.306 119.713 119.800 0.364 0.000 2.454 176 Q HA 0.367 4.707 4.340 -0.000 0.000 0.247 176 Q C 1.333 177.431 176.000 0.164 0.000 1.028 176 Q CA 0.776 56.705 55.803 0.210 0.000 0.910 176 Q CB 0.467 29.294 28.738 0.149 0.000 1.276 176 Q HN 0.451 nan 8.270 nan 0.000 0.489 177 G N 0.656 109.516 108.800 0.100 0.000 2.299 177 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 177 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 177 G C -0.159 174.766 174.900 0.043 0.000 1.027 177 G CA -0.068 45.072 45.100 0.067 0.000 0.619 177 G HN 0.522 nan 8.290 nan 0.000 0.513 178 R N 1.084 121.615 120.500 0.050 0.000 2.368 178 R HA 0.619 4.959 4.340 -0.000 0.000 0.302 178 R C 0.887 177.104 176.300 -0.139 0.000 1.002 178 R CA -0.046 56.022 56.100 -0.054 0.000 0.929 178 R CB 0.601 30.841 30.300 -0.100 0.000 1.073 178 R HN 0.576 nan 8.270 nan 0.000 0.464 179 N N 0.644 119.258 118.700 -0.142 0.000 1.279 179 N HA -0.334 4.406 4.740 -0.000 0.000 0.104 179 N C -0.637 174.849 175.510 -0.040 0.000 0.824 179 N CA 1.657 54.647 53.050 -0.101 0.000 0.843 179 N CB -0.456 37.935 38.487 -0.159 0.000 0.916 179 N HN 0.823 nan 8.380 nan 0.000 0.671 180 D N -0.069 120.330 120.400 -0.002 0.000 3.250 180 D HA 0.258 4.898 4.640 -0.000 0.000 0.252 180 D C -2.863 173.459 176.300 0.037 0.000 1.342 180 D CA -0.881 53.120 54.000 0.002 0.000 0.807 180 D CB 0.391 41.178 40.800 -0.021 0.000 1.449 180 D HN 0.313 nan 8.370 nan 0.000 0.610 181 P HA 0.168 nan 4.420 nan 0.000 0.272 181 P C 0.498 177.811 177.300 0.022 0.000 1.223 181 P CA -0.370 62.816 63.100 0.143 0.000 0.784 181 P CB 1.381 33.225 31.700 0.239 0.000 0.923 182 M N 0.167 119.785 119.600 0.031 0.000 2.730 182 M HA 0.196 4.676 4.480 -0.000 0.000 0.258 182 M C 0.540 176.797 176.300 -0.073 0.000 1.279 182 M CA 0.886 56.174 55.300 -0.020 0.000 1.183 182 M CB 0.246 32.857 32.600 0.019 0.000 1.291 182 M HN 0.305 nan 8.290 nan 0.000 0.518 183 M N 0.776 120.344 119.600 -0.052 0.000 2.274 183 M HA 0.465 4.945 4.480 -0.000 0.000 0.272 183 M C -2.102 174.067 176.300 -0.219 0.000 1.053 183 M CA -0.108 55.071 55.300 -0.200 0.000 0.978 183 M CB 1.779 34.283 32.600 -0.159 0.000 1.836 183 M HN 0.004 nan 8.290 nan 0.000 0.484 184 I N 4.852 125.208 120.570 -0.357 0.000 2.354 184 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 184 I C -1.219 174.659 176.117 -0.397 0.000 0.989 184 I CA -0.799 60.373 61.300 -0.214 0.000 1.188 184 I CB 1.177 39.048 38.000 -0.215 0.000 1.342 184 I HN 0.604 nan 8.210 nan 0.000 0.457 185 Y N 6.496 126.687 120.300 -0.181 0.000 2.404 185 Y HA 0.404 4.954 4.550 -0.000 0.000 0.344 185 Y C -0.176 175.648 175.900 -0.127 0.000 0.970 185 Y CA -0.604 57.336 58.100 -0.267 0.000 1.180 185 Y CB 0.695 38.697 38.460 -0.763 0.000 1.138 185 Y HN 0.348 nan 8.280 nan 0.000 0.510 186 L N 3.296 124.546 121.223 0.045 0.000 2.358 186 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 186 L C -0.527 176.414 176.870 0.119 0.000 1.032 186 L CA -1.084 53.805 54.840 0.081 0.000 0.805 186 L CB 1.895 43.968 42.059 0.023 0.000 1.253 186 L HN 0.364 nan 8.230 nan 0.000 0.452 187 V N 2.844 122.847 119.914 0.148 0.000 2.735 187 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 187 V C -1.501 174.694 176.094 0.169 0.000 1.083 187 V CA -0.555 61.828 62.300 0.137 0.000 0.923 187 V CB 0.919 32.797 31.823 0.092 0.000 1.053 187 V HN 0.755 nan 8.190 nan 0.000 0.471 188 W N 6.655 127.953 121.300 -0.003 0.000 2.375 188 W HA 0.855 5.515 4.660 -0.000 0.000 0.336 188 W C -0.947 175.569 176.519 -0.005 0.000 1.160 188 W CA -0.820 56.518 57.345 -0.011 0.000 1.266 188 W CB 1.075 30.509 29.460 -0.042 0.000 1.195 188 W HN 0.564 nan 8.180 nan 0.000 0.599 189 R N 1.415 121.910 120.500 -0.009 0.000 2.869 189 R HA 0.549 4.889 4.340 -0.000 0.000 0.263 189 R C -0.749 175.547 176.300 -0.006 0.000 1.066 189 R CA -1.366 54.606 56.100 -0.213 0.000 0.960 189 R CB 2.319 32.559 30.300 -0.101 0.000 1.221 189 R HN 0.420 nan 8.270 nan 0.000 0.474 190 R N 0.903 121.368 120.500 -0.058 0.000 2.346 190 R HA 0.404 4.744 4.340 -0.000 0.000 0.311 190 R C -0.309 176.028 176.300 0.060 0.000 0.983 190 R CA -0.480 55.655 56.100 0.059 0.000 0.880 190 R CB 1.063 31.389 30.300 0.044 0.000 1.100 190 R HN 0.453 nan 8.270 nan 0.000 0.453 191 I N 3.564 124.182 120.570 0.079 0.000 2.227 191 I HA -0.013 4.157 4.170 -0.000 0.000 0.297 191 I C 1.269 177.518 176.117 0.220 0.000 1.173 191 I CA 0.044 61.411 61.300 0.113 0.000 1.356 191 I CB 0.606 38.643 38.000 0.062 0.000 1.485 191 I HN 0.643 nan 8.210 nan 0.000 0.604 192 E N 4.039 124.336 120.200 0.162 0.000 2.130 192 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 192 E C 0.623 177.334 176.600 0.185 0.000 0.998 192 E CA 1.399 57.893 56.400 0.157 0.000 0.806 192 E CB 0.155 29.905 29.700 0.082 0.000 0.738 192 E HN 0.585 nan 8.360 nan 0.000 0.459 193 N N -0.439 118.375 118.700 0.190 0.000 2.576 193 N HA 0.161 4.901 4.740 -0.000 0.000 0.269 193 N C -1.477 174.154 175.510 0.201 0.000 1.058 193 N CA -0.380 52.740 53.050 0.116 0.000 0.860 193 N CB 0.413 38.929 38.487 0.049 0.000 1.249 193 N HN -0.036 nan 8.380 nan 0.000 0.525 194 F N 1.409 121.393 119.950 0.056 0.000 2.598 194 F HA 0.857 5.384 4.527 -0.000 0.000 0.327 194 F C -0.375 175.470 175.800 0.075 0.000 1.057 194 F CA -1.301 56.747 58.000 0.080 0.000 0.957 194 F CB 0.609 39.683 39.000 0.123 0.000 1.278 194 F HN 0.212 nan 8.300 nan 0.000 0.484 195 A N 3.595 126.551 122.820 0.226 0.000 2.327 195 A HA 0.635 4.955 4.320 -0.000 0.000 0.283 195 A C -0.017 177.689 177.584 0.204 0.000 1.127 195 A CA -0.682 51.424 52.037 0.115 0.000 0.810 195 A CB 0.320 19.403 19.000 0.138 0.000 1.066 195 A HN 0.768 nan 8.150 nan 0.000 0.492 196 M N 1.331 120.957 119.600 0.043 0.000 2.219 196 M HA 0.322 4.802 4.480 -0.000 0.000 0.280 196 M C 1.716 178.096 176.300 0.133 0.000 1.189 196 M CA 0.006 55.328 55.300 0.036 0.000 1.010 196 M CB 0.537 33.046 32.600 -0.151 0.000 1.422 196 M HN 0.856 nan 8.290 nan 0.000 0.504 197 A N 0.230 123.125 122.820 0.124 0.000 2.084 197 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 197 A C 1.714 179.362 177.584 0.106 0.000 1.161 197 A CA 1.595 53.745 52.037 0.188 0.000 0.653 197 A CB -0.299 18.805 19.000 0.173 0.000 0.802 197 A HN 0.766 nan 8.150 nan 0.000 0.457 198 Q N -2.909 116.919 119.800 0.047 0.000 2.392 198 Q HA 0.226 4.566 4.340 -0.000 0.000 0.219 198 Q C 1.354 177.369 176.000 0.026 0.000 0.895 198 Q CA 1.037 56.857 55.803 0.028 0.000 0.929 198 Q CB 0.905 29.642 28.738 -0.002 0.000 1.077 198 Q HN 0.915 nan 8.270 nan 0.000 0.532 199 G N 1.663 110.478 108.800 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 -0.036 174.856 174.900 -0.013 0.000 1.000 199 G CA -0.105 45.007 45.100 0.020 0.000 0.672 199 G HN 0.480 nan 8.290 nan 0.000 0.483 200 N N 0.918 119.592 118.700 -0.044 0.000 2.518 200 N HA 0.509 5.249 4.740 -0.000 0.000 0.266 200 N C 0.246 175.679 175.510 -0.127 0.000 1.196 200 N CA 0.268 53.271 53.050 -0.078 0.000 0.947 200 N CB 1.137 39.571 38.487 -0.090 0.000 1.098 200 N HN 0.082 nan 8.380 nan 0.000 0.450 201 S N 0.411 116.034 115.700 -0.129 0.000 2.562 201 S HA 0.067 4.537 4.470 -0.000 0.000 0.281 201 S C -0.064 174.362 174.600 -0.290 0.000 1.333 201 S CA -0.382 57.708 58.200 -0.183 0.000 1.052 201 S CB 0.759 63.889 63.200 -0.116 0.000 0.884 201 S HN 0.703 nan 8.310 nan 0.000 0.506 202 Q N 1.121 120.620 119.800 -0.502 0.000 2.423 202 Q HA 0.546 4.886 4.340 -0.000 0.000 0.278 202 Q C -1.556 174.126 176.000 -0.529 0.000 1.097 202 Q CA -0.618 54.806 55.803 -0.632 0.000 0.809 202 Q CB 1.546 29.632 28.738 -1.086 0.000 1.391 202 Q HN 0.543 nan 8.270 nan 0.000 0.428 203 Q N 0.100 119.757 119.800 -0.239 0.000 2.309 203 Q HA 0.592 4.932 4.340 -0.000 0.000 0.264 203 Q C -1.291 174.809 176.000 0.167 0.000 1.008 203 Q CA -0.332 55.463 55.803 -0.013 0.000 0.853 203 Q CB 2.306 31.037 28.738 -0.011 0.000 1.314 203 Q HN 0.639 nan 8.270 nan 0.000 0.448 204 T N 3.736 118.450 114.554 0.268 0.000 2.738 204 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 204 T C -0.592 174.193 174.700 0.142 0.000 0.962 204 T CA -0.712 61.544 62.100 0.260 0.000 0.972 204 T CB 0.482 69.499 68.868 0.250 0.000 0.928 204 T HN 0.309 nan 8.240 nan 0.000 0.474 205 Q N 1.975 121.842 119.800 0.111 0.000 2.332 205 Q HA 0.425 4.765 4.340 -0.000 0.000 0.263 205 Q C 0.208 176.254 176.000 0.076 0.000 0.979 205 Q CA -0.336 55.511 55.803 0.075 0.000 0.885 205 Q CB 0.790 29.561 28.738 0.056 0.000 1.218 205 Q HN 0.814 nan 8.270 nan 0.000 0.405 206 A N 1.032 123.889 122.820 0.061 0.000 2.520 206 A HA 0.459 4.779 4.320 -0.000 0.000 0.245 206 A C 1.093 178.714 177.584 0.063 0.000 1.072 206 A CA 0.875 52.949 52.037 0.062 0.000 0.761 206 A CB -0.159 18.866 19.000 0.042 0.000 1.004 206 A HN 0.907 nan 8.150 nan 0.000 0.499 207 G N 1.088 109.937 108.800 0.082 0.000 2.977 207 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.211 207 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.211 207 G C 0.072 175.019 174.900 0.077 0.000 0.994 207 G CA -0.022 45.120 45.100 0.070 0.000 0.795 207 G HN 1.146 nan 8.290 nan 0.000 0.518 208 V N 2.863 122.839 119.914 0.104 0.000 2.655 208 V HA 0.506 4.626 4.120 -0.000 0.000 0.300 208 V C 0.839 176.989 176.094 0.093 0.000 1.044 208 V CA 1.022 63.368 62.300 0.077 0.000 1.095 208 V CB 0.988 32.874 31.823 0.105 0.000 0.952 208 V HN 0.757 nan 8.190 nan 0.000 0.485 209 T N 1.741 116.259 114.554 -0.061 0.000 2.861 209 T HA 0.712 5.062 4.350 -0.000 0.000 0.287 209 T C -0.914 173.555 174.700 -0.385 0.000 1.003 209 T CA -0.734 61.292 62.100 -0.124 0.000 0.977 209 T CB 1.636 70.478 68.868 -0.044 0.000 0.996 209 T HN 0.294 nan 8.240 nan 0.000 0.448 210 V N 3.472 123.011 119.914 -0.625 0.000 2.378 210 V HA 0.686 4.806 4.120 -0.000 0.000 0.288 210 V C 0.205 176.042 176.094 -0.428 0.000 1.016 210 V CA -0.739 61.105 62.300 -0.760 0.000 0.840 210 V CB 1.308 32.228 31.823 -1.504 0.000 0.994 210 V HN 1.184 nan 8.190 nan 0.000 0.431 211 S N 4.214 119.739 115.700 -0.291 0.000 2.482 211 S HA 0.813 5.283 4.470 -0.000 0.000 0.303 211 S C -0.863 173.616 174.600 -0.201 0.000 1.091 211 S CA -0.760 57.336 58.200 -0.173 0.000 1.057 211 S CB 1.948 65.102 63.200 -0.077 0.000 1.031 211 S HN 0.361 nan 8.310 nan 0.000 0.485 212 V N 2.586 122.390 119.914 -0.183 0.000 2.384 212 V HA 0.674 4.794 4.120 -0.000 0.000 0.287 212 V C 1.267 177.297 176.094 -0.106 0.000 1.020 212 V CA 0.112 62.282 62.300 -0.218 0.000 0.850 212 V CB 0.302 31.977 31.823 -0.246 0.000 0.987 212 V HN 1.523 nan 8.190 nan 0.000 0.436 213 G N 3.638 112.388 108.800 -0.083 0.000 2.212 213 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.267 213 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.267 213 G C 1.137 176.012 174.900 -0.042 0.000 1.002 213 G CA 1.110 46.189 45.100 -0.034 0.000 0.729 213 G HN 2.084 nan 8.290 nan 0.000 0.517 214 G N -2.320 106.445 108.800 -0.058 0.000 2.659 214 G HA2 0.029 3.989 3.960 -0.000 0.000 0.202 214 G HA3 0.029 3.989 3.960 -0.000 0.000 0.202 214 G C 0.889 175.766 174.900 -0.038 0.000 1.186 214 G CA 0.814 45.884 45.100 -0.049 0.000 0.783 214 G HN 1.887 nan 8.290 nan 0.000 0.521 215 V N 2.665 122.560 119.914 -0.031 0.000 2.673 215 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 215 V C 0.416 176.494 176.094 -0.027 0.000 1.046 215 V CA 0.796 63.085 62.300 -0.019 0.000 1.126 215 V CB 1.174 32.992 31.823 -0.008 0.000 0.934 215 V HN 0.517 nan 8.190 nan 0.000 0.487 216 D N 5.996 126.390 120.400 -0.011 0.000 2.350 216 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 216 D C -0.270 176.045 176.300 0.025 0.000 1.119 216 D CA -0.207 53.789 54.000 -0.006 0.000 0.886 216 D CB 0.575 41.382 40.800 0.012 0.000 1.195 216 D HN 0.428 nan 8.370 nan 0.000 0.437 217 M N 2.532 122.157 119.600 0.042 0.000 2.456 217 M HA 0.390 4.870 4.480 -0.000 0.000 0.324 217 M C 0.198 176.695 176.300 0.328 0.000 1.124 217 M CA -0.576 54.806 55.300 0.137 0.000 0.959 217 M CB 1.791 34.455 32.600 0.105 0.000 1.692 217 M HN 0.360 nan 8.290 nan 0.000 0.444 218 R N 0.609 121.266 120.500 0.261 0.000 2.707 218 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 218 R C -0.039 176.335 176.300 0.125 0.000 1.083 218 R CA -0.375 55.846 56.100 0.201 0.000 1.182 218 R CB 0.589 30.928 30.300 0.065 0.000 1.084 218 R HN 0.816 nan 8.270 nan 0.000 0.528 219 A N 0.057 122.673 122.820 -0.339 0.000 2.306 219 A HA 0.516 4.836 4.320 -0.000 0.000 0.314 219 A C 0.836 178.112 177.584 -0.513 0.000 1.164 219 A CA 0.183 51.575 52.037 -1.075 0.000 0.822 219 A CB 0.849 18.974 19.000 -1.458 0.000 1.130 219 A HN 0.835 nan 8.150 nan 0.000 0.496 220 G N 0.504 109.038 108.800 -0.443 0.000 2.143 220 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.249 220 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.249 220 G C 0.149 174.993 174.900 -0.093 0.000 0.981 220 G CA 0.680 45.656 45.100 -0.205 0.000 0.665 220 G HN 0.855 nan 8.290 nan 0.000 0.528 221 R N -0.483 119.979 120.500 -0.063 0.000 2.670 221 R HA 0.724 5.064 4.340 -0.000 0.000 0.289 221 R C 0.734 177.073 176.300 0.065 0.000 0.965 221 R CA -0.871 55.238 56.100 0.015 0.000 0.899 221 R CB 0.847 31.164 30.300 0.028 0.000 1.173 221 R HN 0.246 nan 8.270 nan 0.000 0.456 222 I N 4.030 124.652 120.570 0.087 0.000 2.692 222 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 222 I C 0.084 176.282 176.117 0.136 0.000 1.159 222 I CA 0.374 61.749 61.300 0.125 0.000 1.423 222 I CB 0.405 38.494 38.000 0.149 0.000 1.380 222 I HN 0.374 nan 8.210 nan 0.000 0.580 223 I N 4.941 125.590 120.570 0.132 0.000 2.466 223 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 223 I C 0.070 176.200 176.117 0.022 0.000 1.026 223 I CA -0.715 60.638 61.300 0.088 0.000 1.078 223 I CB 1.942 39.977 38.000 0.058 0.000 1.249 223 I HN 0.591 nan 8.210 nan 0.000 0.429 224 A N 6.255 129.076 122.820 0.003 0.000 2.805 224 A HA 0.172 4.492 4.320 -0.000 0.000 0.301 224 A C -0.933 176.597 177.584 -0.090 0.000 1.557 224 A CA -0.117 51.816 52.037 -0.174 0.000 1.254 224 A CB -0.424 18.560 19.000 -0.026 0.000 1.114 224 A HN 0.679 nan 8.150 nan 0.000 0.553 225 W N 3.966 125.046 121.300 -0.367 0.000 2.351 225 W HA 0.342 5.002 4.660 -0.000 0.000 0.311 225 W C 0.432 176.786 176.519 -0.275 0.000 1.168 225 W CA -1.189 55.982 57.345 -0.290 0.000 1.200 225 W CB 0.946 30.209 29.460 -0.328 0.000 1.221 225 W HN 0.759 nan 8.180 nan 0.000 0.519 226 D N 3.028 123.264 120.400 -0.272 0.000 2.349 226 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 226 D C 1.521 177.373 176.300 -0.746 0.000 1.029 226 D CA 0.694 54.454 54.000 -0.400 0.000 0.879 226 D CB -0.102 40.599 40.800 -0.164 0.000 0.906 226 D HN 0.781 nan 8.370 nan 0.000 0.528 227 G N 1.068 108.797 108.800 -1.784 0.000 2.257 227 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 227 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 227 G C 1.237 175.669 174.900 -0.779 0.000 0.984 227 G CA 0.540 44.553 45.100 -1.813 0.000 0.626 227 G HN 0.387 nan 8.290 nan 0.000 0.540 228 Q N -0.221 119.367 119.800 -0.353 0.000 2.402 228 Q HA 0.519 4.859 4.340 -0.000 0.000 0.231 228 Q C 1.683 177.765 176.000 0.135 0.000 0.888 228 Q CA 0.834 56.605 55.803 -0.053 0.000 0.938 228 Q CB 0.264 28.961 28.738 -0.068 0.000 1.086 228 Q HN 0.964 nan 8.270 nan 0.000 0.543 229 A N 1.347 124.333 122.820 0.277 0.000 2.406 229 A HA 0.482 4.802 4.320 -0.000 0.000 0.243 229 A C 0.056 177.795 177.584 0.258 0.000 1.082 229 A CA 0.287 52.485 52.037 0.267 0.000 0.786 229 A CB 0.132 19.288 19.000 0.260 0.000 1.029 229 A HN 0.231 nan 8.150 nan 0.000 0.495 230 A N 0.799 123.661 122.820 0.071 0.000 2.395 230 A HA 0.455 4.775 4.320 -0.000 0.000 0.286 230 A C -0.119 177.384 177.584 -0.135 0.000 1.193 230 A CA -0.252 51.782 52.037 -0.006 0.000 0.852 230 A CB -0.471 18.508 19.000 -0.035 0.000 1.118 230 A HN 1.151 nan 8.150 nan 0.000 0.524 231 L N 4.203 125.283 121.223 -0.238 0.000 2.356 231 L HA 0.309 4.649 4.340 -0.000 0.000 0.282 231 L C -0.213 176.528 176.870 -0.214 0.000 1.132 231 L CA 0.092 54.664 54.840 -0.446 0.000 0.923 231 L CB -0.409 41.192 42.059 -0.763 0.000 1.278 231 L HN 0.716 nan 8.230 nan 0.000 0.436 232 H N 2.924 121.822 119.070 -0.287 0.000 2.519 232 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 232 H C -1.107 174.063 175.328 -0.263 0.000 1.065 232 H CA -0.505 55.409 56.048 -0.223 0.000 1.264 232 H CB 1.182 30.846 29.762 -0.165 0.000 1.413 232 H HN 0.321 nan 8.280 nan 0.000 0.465 233 V N 6.759 126.298 119.914 -0.626 0.000 2.417 233 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 233 V C 0.068 175.814 176.094 -0.581 0.000 1.024 233 V CA -0.758 61.215 62.300 -0.545 0.000 0.861 233 V CB 1.379 32.957 31.823 -0.409 0.000 0.985 233 V HN 0.761 nan 8.190 nan 0.000 0.436 234 R N 2.927 123.187 120.500 -0.399 0.000 2.599 234 R HA 0.488 4.828 4.340 -0.000 0.000 0.295 234 R C -0.719 175.494 176.300 -0.144 0.000 0.963 234 R CA -0.740 55.208 56.100 -0.253 0.000 0.883 234 R CB 1.712 31.921 30.300 -0.151 0.000 1.171 234 R HN 0.655 nan 8.270 nan 0.000 0.450 235 N N 3.245 121.892 118.700 -0.089 0.000 2.851 235 N HA 0.201 4.941 4.740 -0.000 0.000 0.248 235 N C -2.086 173.420 175.510 -0.007 0.000 1.221 235 N CA -2.174 50.856 53.050 -0.033 0.000 0.847 235 N CB 1.121 39.599 38.487 -0.014 0.000 1.150 235 N HN 0.318 nan 8.380 nan 0.000 0.507 236 P HA 0.009 nan 4.420 nan 0.000 0.242 236 P C 0.185 177.495 177.300 0.017 0.000 1.197 236 P CA 0.266 63.371 63.100 0.008 0.000 0.765 236 P CB 0.254 31.959 31.700 0.009 0.000 0.936 237 T N 1.650 116.219 114.554 0.025 0.000 2.907 237 T HA 0.087 4.437 4.350 -0.000 0.000 0.298 237 T C 1.039 175.756 174.700 0.028 0.000 1.017 237 T CA -0.068 62.051 62.100 0.031 0.000 1.118 237 T CB 0.361 69.257 68.868 0.046 0.000 0.948 237 T HN -0.027 nan 8.240 nan 0.000 0.531 238 Q N 3.099 122.913 119.800 0.022 0.000 2.259 238 Q HA 0.217 4.557 4.340 -0.000 0.000 0.228 238 Q C 0.155 176.162 176.000 0.012 0.000 0.909 238 Q CA 0.445 56.257 55.803 0.015 0.000 0.948 238 Q CB 0.014 28.756 28.738 0.008 0.000 1.041 238 Q HN 0.625 nan 8.270 nan 0.000 0.445 239 Q N -0.492 119.323 119.800 0.026 0.000 2.626 239 Q HA 0.322 4.662 4.340 -0.000 0.000 0.300 239 Q C -0.973 175.061 176.000 0.057 0.000 0.988 239 Q CA -0.863 54.954 55.803 0.023 0.000 0.761 239 Q CB 1.398 30.153 28.738 0.029 0.000 1.494 239 Q HN 0.188 nan 8.270 nan 0.000 0.439 240 N N -0.101 118.629 118.700 0.050 0.000 2.520 240 N HA 0.483 5.223 4.740 -0.000 0.000 0.273 240 N C -1.191 174.494 175.510 0.293 0.000 1.155 240 N CA 0.062 53.181 53.050 0.116 0.000 0.967 240 N CB 1.040 39.429 38.487 -0.165 0.000 1.092 240 N HN 0.501 nan 8.380 nan 0.000 0.457 241 A N 2.028 125.007 122.820 0.264 0.000 2.435 241 A HA 0.748 5.068 4.320 -0.000 0.000 0.304 241 A C -0.961 176.587 177.584 -0.060 0.000 1.064 241 A CA -0.633 51.482 52.037 0.131 0.000 0.727 241 A CB 1.130 20.191 19.000 0.102 0.000 1.284 241 A HN 0.593 nan 8.150 nan 0.000 0.415 242 M N 2.334 121.755 119.600 -0.297 0.000 2.213 242 M HA 0.472 4.952 4.480 -0.000 0.000 0.286 242 M C -1.083 175.126 176.300 -0.151 0.000 1.008 242 M CA -0.768 54.319 55.300 -0.356 0.000 0.937 242 M CB 2.191 34.341 32.600 -0.751 0.000 1.600 242 M HN 0.692 nan 8.290 nan 0.000 0.450 243 V N 1.392 121.265 119.914 -0.068 0.000 2.540 243 V HA 0.651 4.771 4.120 -0.000 0.000 0.302 243 V C -0.799 175.322 176.094 0.044 0.000 1.035 243 V CA -0.781 61.558 62.300 0.066 0.000 0.873 243 V CB 1.578 33.509 31.823 0.180 0.000 0.992 243 V HN 0.949 nan 8.190 nan 0.000 0.428 244 Q N 4.239 124.093 119.800 0.090 0.000 2.241 244 Q HA 0.798 5.138 4.340 -0.000 0.000 0.254 244 Q C -1.105 174.980 176.000 0.143 0.000 0.917 244 Q CA -0.739 55.105 55.803 0.067 0.000 0.919 244 Q CB 2.309 31.077 28.738 0.050 0.000 1.237 244 Q HN 0.800 nan 8.270 nan 0.000 0.434 245 I N 2.114 122.756 120.570 0.119 0.000 2.389 245 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 245 I C -0.478 175.751 176.117 0.186 0.000 0.999 245 I CA -0.749 60.661 61.300 0.184 0.000 1.129 245 I CB 1.882 39.997 38.000 0.191 0.000 1.288 245 I HN 0.682 nan 8.210 nan 0.000 0.444 246 Q N 5.318 125.231 119.800 0.189 0.000 2.293 246 Q HA 0.443 4.783 4.340 -0.000 0.000 0.261 246 Q C -1.287 174.837 176.000 0.207 0.000 0.960 246 Q CA -0.689 55.227 55.803 0.189 0.000 0.882 246 Q CB 2.435 31.264 28.738 0.152 0.000 1.275 246 Q HN 0.529 nan 8.270 nan 0.000 0.445 247 V N 5.902 125.960 119.914 0.240 0.000 2.267 247 V HA 0.008 4.128 4.120 -0.000 0.000 0.254 247 V C 1.184 177.424 176.094 0.243 0.000 1.144 247 V CA 0.087 62.517 62.300 0.216 0.000 0.992 247 V CB 0.449 32.382 31.823 0.183 0.000 1.199 247 V HN 0.815 nan 8.190 nan 0.000 0.493 248 V N 6.225 126.261 119.914 0.204 0.000 2.324 248 V HA -0.075 4.045 4.120 -0.000 0.000 0.250 248 V C 0.477 176.826 176.094 0.424 0.000 1.060 248 V CA 2.381 64.838 62.300 0.262 0.000 1.042 248 V CB -0.244 31.718 31.823 0.232 0.000 0.650 248 V HN 0.876 nan 8.190 nan 0.000 0.450 249 F N -1.803 118.338 119.950 0.319 0.000 2.765 249 F HA 0.570 5.097 4.527 -0.000 0.000 0.313 249 F C -1.372 174.750 175.800 0.537 0.000 1.136 249 F CA -1.713 56.506 58.000 0.364 0.000 0.952 249 F CB 0.265 39.369 39.000 0.174 0.000 1.268 249 F HN 0.141 nan 8.300 nan 0.000 0.441 250 Y N 2.454 123.025 120.300 0.452 0.000 2.581 250 Y HA 0.878 5.428 4.550 -0.000 0.000 0.345 250 Y C -1.032 175.094 175.900 0.378 0.000 1.036 250 Y CA -2.799 55.523 58.100 0.370 0.000 1.042 250 Y CB 1.339 40.000 38.460 0.335 0.000 1.289 250 Y HN 0.890 nan 8.280 nan 0.000 0.471 251 I N 1.347 122.074 120.570 0.262 0.000 2.474 251 I HA 0.935 5.105 4.170 -0.000 0.000 0.294 251 I C -0.489 175.656 176.117 0.046 0.000 1.005 251 I CA -0.710 60.650 61.300 0.100 0.000 1.113 251 I CB 2.112 40.244 38.000 0.220 0.000 1.289 251 I HN 0.829 nan 8.210 nan 0.000 0.436 252 S N 4.581 120.263 115.700 -0.030 0.000 2.794 252 S HA 0.548 5.018 4.470 -0.000 0.000 0.299 252 S C 0.250 174.865 174.600 0.025 0.000 1.179 252 S CA -0.999 57.205 58.200 0.007 0.000 0.838 252 S CB 1.945 65.142 63.200 -0.004 0.000 1.206 252 S HN 0.789 nan 8.310 nan 0.000 0.523 253 M N 0.802 120.431 119.600 0.048 0.000 2.541 253 M HA 0.164 4.644 4.480 -0.000 0.000 0.252 253 M C -0.560 175.830 176.300 0.149 0.000 1.125 253 M CA 0.212 55.578 55.300 0.110 0.000 1.091 253 M CB -0.372 32.293 32.600 0.108 0.000 1.420 253 M HN 0.559 nan 8.290 nan 0.000 0.486 254 D N 2.954 123.408 120.400 0.090 0.000 2.458 254 D HA 0.033 4.673 4.640 -0.000 0.000 0.243 254 D C 0.155 176.498 176.300 0.072 0.000 1.146 254 D CA 0.515 54.570 54.000 0.090 0.000 0.877 254 D CB 0.669 41.502 40.800 0.056 0.000 1.176 254 D HN -0.057 nan 8.370 nan 0.000 0.461 255 K N 1.513 121.959 120.400 0.078 0.000 2.414 255 K HA 0.129 4.449 4.320 -0.000 0.000 0.272 255 K C 0.777 177.403 176.600 0.042 0.000 0.993 255 K CA -0.022 56.296 56.287 0.051 0.000 0.964 255 K CB 0.447 32.971 32.500 0.040 0.000 0.925 255 K HN 0.571 nan 8.250 nan 0.000 0.487 256 T N -2.072 112.494 114.554 0.021 0.000 2.762 256 T HA 0.362 4.712 4.350 -0.000 0.000 0.272 256 T C 0.874 175.582 174.700 0.013 0.000 0.982 256 T CA -0.853 61.246 62.100 -0.002 0.000 1.013 256 T CB 0.504 69.347 68.868 -0.042 0.000 1.309 256 T HN 0.162 nan 8.240 nan 0.000 0.572 257 L N 0.707 121.928 121.223 -0.004 0.000 2.650 257 L HA 0.346 4.686 4.340 -0.000 0.000 0.235 257 L C 1.103 177.988 176.870 0.024 0.000 1.149 257 L CA 0.858 55.710 54.840 0.020 0.000 0.887 257 L CB -1.290 40.772 42.059 0.005 0.000 1.021 257 L HN 0.627 nan 8.230 nan 0.000 0.441 258 N N -1.660 117.044 118.700 0.006 0.000 2.275 258 N HA 0.008 4.748 4.740 -0.000 0.000 0.236 258 N C 1.424 176.943 175.510 0.015 0.000 1.154 258 N CA -0.117 52.933 53.050 0.000 0.000 0.866 258 N CB 0.404 38.871 38.487 -0.033 0.000 1.093 258 N HN 0.410 nan 8.380 nan 0.000 0.515 259 Q N -0.239 119.589 119.800 0.047 0.000 2.230 259 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 259 Q C -0.211 175.858 176.000 0.114 0.000 0.963 259 Q CA 0.936 56.776 55.803 0.061 0.000 0.866 259 Q CB 0.031 28.805 28.738 0.058 0.000 0.931 259 Q HN 0.430 nan 8.270 nan 0.000 0.452 260 Y N 1.644 121.938 120.300 -0.010 0.000 2.421 260 Y HA 0.373 4.923 4.550 -0.000 0.000 0.339 260 Y C -2.642 173.257 175.900 -0.003 0.000 0.996 260 Y CA -3.038 55.057 58.100 -0.008 0.000 1.046 260 Y CB 1.845 40.302 38.460 -0.005 0.000 1.226 260 Y HN -0.068 nan 8.280 nan 0.000 0.445 261 P HA -0.028 nan 4.420 nan 0.000 0.255 261 P C 0.127 177.358 177.300 -0.115 0.000 1.161 261 P CA 1.746 64.653 63.100 -0.321 0.000 0.768 261 P CB 0.278 31.718 31.700 -0.433 0.000 0.746 262 A N 2.907 125.718 122.820 -0.015 0.000 2.783 262 A HA -0.228 4.092 4.320 -0.000 0.000 0.292 262 A C 1.309 178.973 177.584 0.134 0.000 1.495 262 A CA 0.864 52.931 52.037 0.050 0.000 0.787 262 A CB -2.370 16.653 19.000 0.038 0.000 1.017 262 A HN 0.634 nan 8.150 nan 0.000 0.516 263 L N -1.026 120.306 121.223 0.181 0.000 2.042 263 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 263 L C 2.625 179.589 176.870 0.156 0.000 1.076 263 L CA 2.595 57.564 54.840 0.216 0.000 0.749 263 L CB -0.435 41.743 42.059 0.199 0.000 0.893 263 L HN 0.725 nan 8.230 nan 0.000 0.432 264 T N -0.085 114.541 114.554 0.121 0.000 2.652 264 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 264 T C 1.917 176.714 174.700 0.162 0.000 1.039 264 T CA 1.423 63.593 62.100 0.117 0.000 1.153 264 T CB -0.549 68.355 68.868 0.061 0.000 0.863 264 T HN 0.548 nan 8.240 nan 0.000 0.428 265 A N 1.930 124.834 122.820 0.141 0.000 1.958 265 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 265 A C 2.338 180.059 177.584 0.228 0.000 1.178 265 A CA 1.656 53.801 52.037 0.180 0.000 0.642 265 A CB -0.467 18.608 19.000 0.125 0.000 0.816 265 A HN 0.439 nan 8.150 nan 0.000 0.453 266 E N -0.034 120.276 120.200 0.184 0.000 2.028 266 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 266 E C 2.068 178.780 176.600 0.187 0.000 0.988 266 E CA 1.119 57.614 56.400 0.158 0.000 0.799 266 E CB -0.603 29.177 29.700 0.133 0.000 0.755 266 E HN 0.720 nan 8.360 nan 0.000 0.447 267 I N 0.902 121.607 120.570 0.224 0.000 2.185 267 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 267 I C 2.445 178.820 176.117 0.431 0.000 1.088 267 I CA 1.311 62.800 61.300 0.316 0.000 1.347 267 I CB -0.346 37.840 38.000 0.309 0.000 1.041 267 I HN -0.001 nan 8.210 nan 0.000 0.415 268 F N 1.931 122.010 119.950 0.214 0.000 2.102 268 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 268 F C 2.324 178.248 175.800 0.206 0.000 1.105 268 F CA 1.988 60.109 58.000 0.201 0.000 1.239 268 F CB -0.864 38.206 39.000 0.117 0.000 0.991 268 F HN 0.102 nan 8.300 nan 0.000 0.474 269 N N 0.138 118.851 118.700 0.022 0.000 2.192 269 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 269 N C 1.677 177.162 175.510 -0.041 0.000 1.013 269 N CA 1.721 54.707 53.050 -0.107 0.000 0.863 269 N CB 0.054 38.544 38.487 0.005 0.000 0.990 269 N HN 0.297 nan 8.380 nan 0.000 0.430 270 V N -0.240 119.717 119.914 0.072 0.000 2.379 270 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 270 V C 1.452 177.609 176.094 0.105 0.000 1.035 270 V CA 1.142 63.513 62.300 0.118 0.000 1.035 270 V CB -0.978 30.835 31.823 -0.017 0.000 0.673 270 V HN 0.236 nan 8.190 nan 0.000 0.457 271 Y N 1.005 121.398 120.300 0.156 0.000 2.616 271 Y HA 0.065 4.615 4.550 -0.000 0.000 0.296 271 Y C 1.777 177.833 175.900 0.259 0.000 1.154 271 Y CA 0.121 58.340 58.100 0.198 0.000 1.325 271 Y CB -0.433 38.146 38.460 0.198 0.000 1.007 271 Y HN 0.136 nan 8.280 nan 0.000 0.542 272 S N 0.252 116.077 115.700 0.208 0.000 2.573 272 S HA -0.059 4.411 4.470 -0.000 0.000 0.277 272 S C 0.943 175.807 174.600 0.441 0.000 1.346 272 S CA -0.520 57.763 58.200 0.138 0.000 1.034 272 S CB 0.386 63.451 63.200 -0.224 0.000 0.879 272 S HN 0.349 nan 8.310 nan 0.000 0.528 273 F N 2.609 122.731 119.950 0.286 0.000 2.094 273 F HA 0.023 4.550 4.527 -0.000 0.000 0.291 273 F C 1.879 177.824 175.800 0.243 0.000 1.109 273 F CA 1.646 59.810 58.000 0.273 0.000 1.221 273 F CB -0.075 39.031 39.000 0.177 0.000 1.014 273 F HN 0.732 nan 8.300 nan 0.000 0.473 274 R N -0.245 120.255 120.500 0.000 0.000 1.300 274 R HA -0.308 4.032 4.340 -0.000 0.000 0.029 274 R C -0.669 175.424 176.300 -0.345 0.000 0.959 274 R CA 1.984 57.990 56.100 -0.157 0.000 1.961 274 R CB -2.182 27.947 30.300 -0.284 0.000 0.177 274 R HN 0.589 nan 8.270 nan 0.000 0.727 275 D N -2.238 117.696 120.400 -0.777 0.000 2.639 275 D HA 0.286 4.926 4.640 -0.000 0.000 0.271 275 D C 0.075 175.797 176.300 -0.964 0.000 1.254 275 D CA -0.505 53.020 54.000 -0.791 0.000 0.810 275 D CB 0.139 40.855 40.800 -0.141 0.000 1.351 275 D HN 0.237 nan 8.370 nan 0.000 0.427 276 H N -0.680 118.158 119.070 -0.388 0.000 2.390 276 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 276 H C 1.471 176.704 175.328 -0.158 0.000 1.106 276 H CA 2.555 58.521 56.048 -0.137 0.000 1.297 276 H CB -0.297 29.490 29.762 0.042 0.000 1.375 276 H HN 0.471 nan 8.280 nan 0.000 0.509 277 T N 0.556 115.078 114.554 -0.054 0.000 2.674 277 T HA -0.237 4.113 4.350 -0.000 0.000 0.265 277 T C 1.819 176.391 174.700 -0.213 0.000 1.039 277 T CA 1.348 63.357 62.100 -0.151 0.000 1.150 277 T CB -0.474 68.283 68.868 -0.185 0.000 0.864 277 T HN 0.600 nan 8.240 nan 0.000 0.427 278 W N 1.728 122.733 121.300 -0.492 0.000 2.379 278 W HA -0.229 4.431 4.660 -0.000 0.000 0.307 278 W C 2.273 178.532 176.519 -0.433 0.000 1.200 278 W CA 1.613 58.525 57.345 -0.722 0.000 1.297 278 W CB -0.691 28.072 29.460 -1.161 0.000 1.140 278 W HN 0.404 nan 8.180 nan 0.000 0.507 279 H N 0.014 118.664 119.070 -0.700 0.000 2.252 279 H HA -0.180 4.376 4.556 -0.000 0.000 0.292 279 H C 2.494 177.496 175.328 -0.544 0.000 1.082 279 H CA 3.462 59.127 56.048 -0.639 0.000 1.229 279 H CB -0.944 28.575 29.762 -0.406 0.000 1.353 279 H HN 0.138 nan 8.280 nan 0.000 0.488 280 G N 1.101 109.687 108.800 -0.356 0.000 2.442 280 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 280 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 280 G C 1.879 176.560 174.900 -0.364 0.000 1.141 280 G CA 0.791 45.703 45.100 -0.314 0.000 0.763 280 G HN 0.441 nan 8.290 nan 0.000 0.554 281 L N 0.345 121.322 121.223 -0.410 0.000 1.961 281 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 281 L C 2.924 179.481 176.870 -0.522 0.000 1.072 281 L CA 2.079 56.708 54.840 -0.353 0.000 0.749 281 L CB -0.503 41.408 42.059 -0.246 0.000 0.889 281 L HN 0.247 nan 8.230 nan 0.000 0.432 282 R N -0.377 119.536 120.500 -0.979 0.000 2.133 282 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 282 R C 1.882 177.835 176.300 -0.578 0.000 1.151 282 R CA 2.397 57.920 56.100 -0.962 0.000 0.971 282 R CB -0.769 28.649 30.300 -1.469 0.000 0.866 282 R HN 0.443 nan 8.270 nan 0.000 0.447 283 T N 1.032 115.245 114.554 -0.569 0.000 2.614 283 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 283 T C 1.932 176.480 174.700 -0.253 0.000 1.055 283 T CA 1.863 63.724 62.100 -0.398 0.000 1.162 283 T CB -0.560 68.043 68.868 -0.443 0.000 0.863 283 T HN 0.478 nan 8.240 nan 0.000 0.414 284 A N 1.020 123.706 122.820 -0.223 0.000 1.948 284 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 284 A C 2.309 179.828 177.584 -0.109 0.000 1.177 284 A CA 1.441 53.402 52.037 -0.127 0.000 0.636 284 A CB -0.967 17.980 19.000 -0.088 0.000 0.815 284 A HN 0.564 nan 8.150 nan 0.000 0.449 285 I N -1.279 119.201 120.570 -0.151 0.000 2.179 285 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 285 I C 2.632 178.688 176.117 -0.103 0.000 1.088 285 I CA 1.553 62.782 61.300 -0.118 0.000 1.357 285 I CB -0.324 37.586 38.000 -0.150 0.000 1.051 285 I HN 0.261 nan 8.210 nan 0.000 0.409 286 R N 0.639 121.058 120.500 -0.135 0.000 2.280 286 R HA -0.054 4.286 4.340 -0.000 0.000 0.207 286 R C 1.883 178.148 176.300 -0.058 0.000 1.043 286 R CA 0.515 56.557 56.100 -0.097 0.000 1.006 286 R CB -0.307 29.920 30.300 -0.121 0.000 0.885 286 R HN 0.348 nan 8.270 nan 0.000 0.467 287 N N 0.719 119.381 118.700 -0.064 0.000 2.223 287 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 287 N C 1.376 176.873 175.510 -0.022 0.000 1.016 287 N CA 1.122 54.149 53.050 -0.037 0.000 0.863 287 N CB 0.017 38.480 38.487 -0.040 0.000 0.983 287 N HN 0.025 nan 8.380 nan 0.000 0.429 288 R N 0.125 120.610 120.500 -0.026 0.000 2.236 288 R HA 0.073 4.413 4.340 -0.000 0.000 0.208 288 R C 0.866 177.159 176.300 -0.012 0.000 1.036 288 R CA 0.402 56.493 56.100 -0.016 0.000 1.001 288 R CB -0.562 29.729 30.300 -0.015 0.000 0.896 288 R HN 0.369 nan 8.270 nan 0.000 0.464 289 T N -3.831 110.714 114.554 -0.015 0.000 2.884 289 T HA 0.178 4.528 4.350 -0.000 0.000 0.277 289 T C 1.296 176.000 174.700 0.006 0.000 0.976 289 T CA -0.115 61.981 62.100 -0.007 0.000 0.956 289 T CB 1.436 70.296 68.868 -0.013 0.000 1.113 289 T HN 0.177 nan 8.240 nan 0.000 0.554 290 T N -1.305 113.258 114.554 0.016 0.000 3.081 290 T HA 0.213 4.563 4.350 -0.000 0.000 0.255 290 T C 0.761 175.491 174.700 0.049 0.000 1.113 290 T CA -0.339 61.779 62.100 0.029 0.000 1.082 290 T CB -0.237 68.648 68.868 0.028 0.000 0.939 290 T HN 0.317 nan 8.240 nan 0.000 0.506 291 L N 3.160 124.414 121.223 0.052 0.000 2.417 291 L HA 0.392 4.732 4.340 -0.000 0.000 0.268 291 L C -2.089 174.844 176.870 0.106 0.000 1.158 291 L CA -2.513 52.382 54.840 0.092 0.000 0.819 291 L CB -0.261 41.851 42.059 0.089 0.000 1.112 291 L HN 0.095 nan 8.230 nan 0.000 0.458 292 P HA 0.049 nan 4.420 nan 0.000 0.267 292 P C 0.186 177.613 177.300 0.211 0.000 1.209 292 P CA -0.273 62.928 63.100 0.168 0.000 0.763 292 P CB 0.365 32.166 31.700 0.167 0.000 0.816 293 N N 4.456 123.220 118.700 0.106 0.000 2.272 293 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 293 N C 1.150 176.693 175.510 0.055 0.000 1.014 293 N CA 1.831 54.895 53.050 0.024 0.000 0.870 293 N CB -0.769 37.694 38.487 -0.040 0.000 0.975 293 N HN 0.571 nan 8.380 nan 0.000 0.433 294 M N -2.988 116.757 119.600 0.241 0.000 2.204 294 M HA 0.395 4.875 4.480 -0.000 0.000 0.407 294 M C -0.854 175.780 176.300 0.557 0.000 0.920 294 M CA -0.203 55.319 55.300 0.371 0.000 1.037 294 M CB 0.944 33.639 32.600 0.158 0.000 2.010 294 M HN -0.187 nan 8.290 nan 0.000 0.674 295 L N 2.692 124.104 121.223 0.314 0.000 2.406 295 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 295 L C -2.512 174.078 176.870 -0.467 0.000 0.980 295 L CA -1.821 52.989 54.840 -0.050 0.000 0.831 295 L CB 2.025 44.100 42.059 0.027 0.000 1.253 295 L HN -0.185 nan 8.230 nan 0.000 0.406 296 P HA -0.079 nan 4.420 nan 0.000 0.265 296 P C -2.345 174.785 177.300 -0.285 0.000 1.167 296 P CA -0.367 62.213 63.100 -0.867 0.000 0.760 296 P CB -0.244 31.161 31.700 -0.492 0.000 0.783 297 P HA 0.080 nan 4.420 nan 0.000 0.271 297 P C 0.755 178.042 177.300 -0.022 0.000 1.216 297 P CA 0.174 63.286 63.100 0.020 0.000 0.771 297 P CB 0.729 32.495 31.700 0.109 0.000 0.864 298 I N 1.991 122.527 120.570 -0.057 0.000 2.127 298 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 298 I C 0.944 176.882 176.117 -0.298 0.000 1.075 298 I CA 1.525 62.678 61.300 -0.246 0.000 1.334 298 I CB -0.531 37.219 38.000 -0.416 0.000 1.040 298 I HN 0.184 nan 8.210 nan 0.000 0.405 299 F N 2.250 122.252 119.950 0.087 0.000 2.420 299 F HA 0.359 4.886 4.527 -0.000 0.000 0.342 299 F C -1.956 173.888 175.800 0.073 0.000 1.113 299 F CA -3.005 55.054 58.000 0.099 0.000 1.059 299 F CB 0.016 39.068 39.000 0.086 0.000 1.128 299 F HN -0.165 nan 8.300 nan 0.000 0.475 300 P HA 0.107 nan 4.420 nan 0.000 0.267 300 P C -2.542 174.839 177.300 0.136 0.000 1.205 300 P CA -0.831 62.354 63.100 0.142 0.000 0.765 300 P CB 0.182 31.941 31.700 0.099 0.000 0.828 301 P HA 0.035 nan 4.420 nan 0.000 0.272 301 P C 0.724 178.052 177.300 0.046 0.000 1.248 301 P CA 0.125 63.270 63.100 0.076 0.000 0.799 301 P CB 0.336 32.072 31.700 0.060 0.000 0.997 302 N N -0.938 117.775 118.700 0.022 0.000 2.036 302 N HA 0.014 4.754 4.740 -0.000 0.000 0.228 302 N C -0.998 174.485 175.510 -0.045 0.000 1.368 302 N CA -0.106 52.939 53.050 -0.009 0.000 0.846 302 N CB 0.417 38.908 38.487 0.007 0.000 1.145 302 N HN 0.399 nan 8.380 nan 0.000 0.502 303 D N 0.691 121.071 120.400 -0.034 0.000 2.185 303 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 303 D C 0.875 177.140 176.300 -0.058 0.000 1.027 303 D CA -0.615 53.355 54.000 -0.050 0.000 0.861 303 D CB 2.892 43.673 40.800 -0.031 0.000 1.202 303 D HN -0.100 nan 8.370 nan 0.000 0.453 304 R N 1.485 121.942 120.500 -0.072 0.000 2.112 304 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 304 R C 0.729 176.988 176.300 -0.068 0.000 1.137 304 R CA 2.237 58.291 56.100 -0.076 0.000 0.944 304 R CB -0.269 29.986 30.300 -0.074 0.000 0.857 304 R HN 0.457 nan 8.270 nan 0.000 0.435 305 D N -0.063 120.306 120.400 -0.052 0.000 2.126 305 D HA -0.166 4.474 4.640 -0.000 0.000 0.190 305 D C 2.050 178.326 176.300 -0.041 0.000 1.001 305 D CA 1.973 55.948 54.000 -0.042 0.000 0.841 305 D CB -0.453 40.330 40.800 -0.030 0.000 0.949 305 D HN 0.208 nan 8.370 nan 0.000 0.446 306 S N -0.029 115.652 115.700 -0.031 0.000 2.348 306 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 306 S C 2.027 176.606 174.600 -0.036 0.000 1.033 306 S CA 0.549 58.737 58.200 -0.020 0.000 1.010 306 S CB -0.137 63.064 63.200 0.002 0.000 0.891 306 S HN 0.184 nan 8.310 nan 0.000 0.442 307 I N 1.743 122.278 120.570 -0.058 0.000 2.127 307 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 307 I C 2.297 178.330 176.117 -0.140 0.000 1.075 307 I CA 1.235 62.473 61.300 -0.104 0.000 1.334 307 I CB -1.591 36.324 38.000 -0.143 0.000 1.040 307 I HN 0.272 nan 8.210 nan 0.000 0.405 308 L N 0.441 121.587 121.223 -0.127 0.000 1.956 308 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 308 L C 2.688 179.507 176.870 -0.086 0.000 1.073 308 L CA 2.308 57.077 54.840 -0.119 0.000 0.762 308 L CB -0.649 41.356 42.059 -0.090 0.000 0.889 308 L HN 0.275 nan 8.230 nan 0.000 0.433 309 T N 0.490 115.008 114.554 -0.061 0.000 2.649 309 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 309 T C 1.811 176.488 174.700 -0.038 0.000 1.036 309 T CA 2.001 64.075 62.100 -0.043 0.000 1.157 309 T CB -0.476 68.370 68.868 -0.036 0.000 0.861 309 T HN 0.234 nan 8.240 nan 0.000 0.445 310 L N 0.126 121.325 121.223 -0.041 0.000 2.017 310 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 310 L C 2.575 179.433 176.870 -0.020 0.000 1.073 310 L CA 1.219 56.045 54.840 -0.024 0.000 0.745 310 L CB -0.703 41.353 42.059 -0.006 0.000 0.894 310 L HN 0.245 nan 8.230 nan 0.000 0.432 311 L N -0.925 120.261 121.223 -0.061 0.000 2.012 311 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 311 L C 2.585 179.444 176.870 -0.020 0.000 1.073 311 L CA 0.933 55.739 54.840 -0.057 0.000 0.748 311 L CB -0.565 41.413 42.059 -0.136 0.000 0.891 311 L HN 0.212 nan 8.230 nan 0.000 0.431 312 L N -0.492 120.715 121.223 -0.026 0.000 2.017 312 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 312 L C 2.415 179.300 176.870 0.024 0.000 1.073 312 L CA 1.712 56.547 54.840 -0.008 0.000 0.745 312 L CB -0.746 41.301 42.059 -0.019 0.000 0.894 312 L HN 0.143 nan 8.230 nan 0.000 0.432 313 L N -1.666 119.579 121.223 0.037 0.000 2.046 313 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 313 L C 2.718 179.668 176.870 0.133 0.000 1.077 313 L CA 1.400 56.305 54.840 0.107 0.000 0.747 313 L CB -0.390 41.711 42.059 0.071 0.000 0.896 313 L HN 0.323 nan 8.230 nan 0.000 0.432 314 S N -0.961 114.780 115.700 0.068 0.000 2.359 314 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 314 S C 1.934 176.540 174.600 0.009 0.000 1.035 314 S CA 2.112 60.336 58.200 0.041 0.000 1.018 314 S CB -0.174 63.052 63.200 0.044 0.000 0.876 314 S HN 0.467 nan 8.310 nan 0.000 0.448 315 T N 2.409 116.975 114.554 0.021 0.000 2.746 315 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 315 T C 1.679 176.391 174.700 0.019 0.000 1.039 315 T CA 1.328 63.436 62.100 0.014 0.000 1.142 315 T CB -0.474 68.404 68.868 0.016 0.000 0.866 315 T HN 0.310 nan 8.240 nan 0.000 0.444 316 L N 1.210 122.464 121.223 0.050 0.000 2.191 316 L HA 0.135 4.475 4.340 -0.000 0.000 0.212 316 L C 2.463 179.394 176.870 0.102 0.000 1.103 316 L CA 1.291 56.197 54.840 0.109 0.000 0.769 316 L CB -0.815 41.333 42.059 0.149 0.000 0.908 316 L HN 0.217 nan 8.230 nan 0.000 0.438 317 A N -0.792 121.962 122.820 -0.110 0.000 1.873 317 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 317 A C 1.975 179.375 177.584 -0.307 0.000 1.186 317 A CA 1.677 53.367 52.037 -0.578 0.000 0.616 317 A CB -0.674 17.968 19.000 -0.596 0.000 0.823 317 A HN 0.508 nan 8.150 nan 0.000 0.442 318 D N 0.043 120.356 120.400 -0.145 0.000 2.144 318 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 318 D C 2.088 178.367 176.300 -0.035 0.000 0.984 318 D CA 1.530 55.479 54.000 -0.085 0.000 0.834 318 D CB -0.477 40.296 40.800 -0.044 0.000 0.955 318 D HN 0.242 nan 8.370 nan 0.000 0.465 319 V N 0.860 120.792 119.914 0.030 0.000 2.343 319 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 319 V C 2.273 178.431 176.094 0.107 0.000 1.051 319 V CA 1.419 63.776 62.300 0.095 0.000 1.036 319 V CB -0.784 31.140 31.823 0.169 0.000 0.654 319 V HN 0.150 nan 8.190 nan 0.000 0.451 320 Y N 1.661 121.965 120.300 0.007 0.000 2.128 320 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 320 Y C 2.666 178.397 175.900 -0.281 0.000 1.154 320 Y CA 2.419 60.370 58.100 -0.249 0.000 1.149 320 Y CB -0.613 37.634 38.460 -0.355 0.000 0.976 320 Y HN 0.261 nan 8.280 nan 0.000 0.505 321 T N 0.162 114.657 114.554 -0.099 0.000 2.652 321 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 321 T C 2.051 176.652 174.700 -0.166 0.000 1.039 321 T CA 2.483 64.506 62.100 -0.129 0.000 1.153 321 T CB -1.062 67.748 68.868 -0.097 0.000 0.863 321 T HN 0.424 nan 8.240 nan 0.000 0.428 322 V N 0.433 120.272 119.914 -0.124 0.000 2.427 322 V HA 0.001 4.121 4.120 -0.000 0.000 0.248 322 V C 2.323 178.336 176.094 -0.136 0.000 1.051 322 V CA 1.400 63.637 62.300 -0.105 0.000 1.048 322 V CB -1.173 30.611 31.823 -0.063 0.000 0.666 322 V HN 0.422 nan 8.190 nan 0.000 0.456 323 L N -0.655 120.463 121.223 -0.174 0.000 2.217 323 L HA 0.136 4.476 4.340 -0.000 0.000 0.211 323 L C 1.340 178.046 176.870 -0.273 0.000 1.107 323 L CA 0.628 55.351 54.840 -0.194 0.000 0.783 323 L CB -0.398 41.565 42.059 -0.160 0.000 0.919 323 L HN 0.359 nan 8.230 nan 0.000 0.442 324 R N -1.394 118.868 120.500 -0.397 0.000 3.336 324 R HA -0.116 4.224 4.340 -0.000 0.000 0.260 324 R C -2.286 173.772 176.300 -0.403 0.000 1.032 324 R CA 0.181 56.043 56.100 -0.397 0.000 0.693 324 R CB -2.404 27.762 30.300 -0.223 0.000 1.134 324 R HN 0.325 nan 8.270 nan 0.000 0.433 325 P HA 0.184 nan 4.420 nan 0.000 0.275 325 P C -0.435 176.760 177.300 -0.175 0.000 1.227 325 P CA 0.250 63.136 63.100 -0.358 0.000 0.781 325 P CB 0.863 32.255 31.700 -0.513 0.000 0.906 326 E N 2.642 122.863 120.200 0.034 0.000 2.191 326 E HA 0.560 4.910 4.350 -0.000 0.000 0.263 326 E C -0.764 176.012 176.600 0.294 0.000 0.881 326 E CA -0.493 55.941 56.400 0.056 0.000 0.757 326 E CB 1.175 30.881 29.700 0.010 0.000 1.147 326 E HN 0.453 nan 8.360 nan 0.000 0.414 327 F N 0.054 120.036 119.950 0.054 0.000 2.770 327 F HA 0.698 5.225 4.527 -0.000 0.000 0.313 327 F C -0.966 174.899 175.800 0.107 0.000 1.154 327 F CA -1.430 56.643 58.000 0.122 0.000 0.923 327 F CB 0.249 39.405 39.000 0.259 0.000 1.301 327 F HN 0.404 nan 8.300 nan 0.000 0.449 328 A N 2.128 125.097 122.820 0.248 0.000 2.327 328 A HA 0.750 5.070 4.320 -0.000 0.000 0.255 328 A C -0.505 177.119 177.584 0.066 0.000 1.099 328 A CA -0.205 51.890 52.037 0.097 0.000 0.801 328 A CB 0.635 19.694 19.000 0.098 0.000 1.062 328 A HN 1.101 nan 8.150 nan 0.000 0.496 329 M N 0.365 119.943 119.600 -0.036 0.000 2.346 329 M HA 0.210 4.690 4.480 -0.000 0.000 0.287 329 M C -1.601 174.662 176.300 -0.061 0.000 1.100 329 M CA -0.475 54.773 55.300 -0.086 0.000 0.950 329 M CB 1.343 33.906 32.600 -0.062 0.000 1.815 329 M HN 0.874 nan 8.290 nan 0.000 0.497 330 H N 2.689 121.789 119.070 0.051 0.000 3.145 330 H HA 0.266 4.822 4.556 -0.000 0.000 0.288 330 H C 1.200 176.536 175.328 0.014 0.000 0.969 330 H CA 1.804 57.869 56.048 0.030 0.000 1.444 330 H CB 0.186 29.965 29.762 0.028 0.000 1.500 330 H HN 0.960 nan 8.280 nan 0.000 0.552 331 G N 2.640 111.524 108.800 0.140 0.000 2.176 331 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 331 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 331 G C -0.055 174.875 174.900 0.050 0.000 0.979 331 G CA 0.124 45.269 45.100 0.075 0.000 0.641 331 G HN 0.556 nan 8.290 nan 0.000 0.530 332 V N 1.619 121.557 119.914 0.040 0.000 2.328 332 V HA 0.455 4.575 4.120 -0.000 0.000 0.278 332 V C 0.043 176.130 176.094 -0.011 0.000 1.021 332 V CA -0.862 61.450 62.300 0.020 0.000 0.838 332 V CB 1.601 33.426 31.823 0.003 0.000 0.999 332 V HN 0.334 nan 8.190 nan 0.000 0.447 333 N N 5.622 124.293 118.700 -0.049 0.000 2.621 333 N HA 0.399 5.139 4.740 -0.000 0.000 0.237 333 N C -2.618 172.771 175.510 -0.201 0.000 0.997 333 N CA -1.194 51.805 53.050 -0.085 0.000 0.918 333 N CB 2.142 40.591 38.487 -0.064 0.000 1.122 333 N HN 0.423 nan 8.380 nan 0.000 0.510 334 P HA 0.096 nan 4.420 nan 0.000 0.267 334 P C -0.369 176.840 177.300 -0.152 0.000 1.205 334 P CA -0.007 62.990 63.100 -0.171 0.000 0.765 334 P CB 0.598 32.273 31.700 -0.043 0.000 0.828 335 M N 6.363 125.865 119.600 -0.163 0.000 2.044 335 M HA 0.217 4.697 4.480 -0.000 0.000 0.333 335 M C -1.637 174.695 176.300 0.055 0.000 1.004 335 M CA -2.853 52.421 55.300 -0.044 0.000 0.954 335 M CB 1.607 34.188 32.600 -0.031 0.000 1.468 335 M HN 0.226 nan 8.290 nan 0.000 0.414 336 P HA 0.013 nan 4.420 nan 0.000 0.226 336 P C 0.637 177.968 177.300 0.052 0.000 1.153 336 P CA 0.378 63.505 63.100 0.046 0.000 0.777 336 P CB -0.002 31.712 31.700 0.025 0.000 0.794 337 G N 2.826 111.656 108.800 0.050 0.000 2.428 337 G HA2 0.109 4.069 3.960 -0.000 0.000 0.290 337 G HA3 0.109 4.069 3.960 -0.000 0.000 0.290 337 G C -1.444 173.491 174.900 0.059 0.000 0.996 337 G CA -0.555 44.573 45.100 0.046 0.000 1.406 337 G HN 0.127 nan 8.290 nan 0.000 0.445 338 P HA -0.229 nan 4.420 nan 0.000 0.135 338 P C 0.451 177.790 177.300 0.066 0.000 1.149 338 P CA 0.615 63.745 63.100 0.051 0.000 0.870 338 P CB -0.518 31.204 31.700 0.036 0.000 1.379 339 L N -1.903 119.374 121.223 0.091 0.000 3.420 339 L HA -0.229 4.111 4.340 -0.000 0.000 0.503 339 L C 0.937 177.850 176.870 0.072 0.000 1.003 339 L CA 1.769 56.675 54.840 0.111 0.000 1.060 339 L CB -1.830 40.326 42.059 0.162 0.000 0.704 339 L HN 0.284 nan 8.230 nan 0.000 0.756 340 T N -0.397 114.183 114.554 0.042 0.000 2.888 340 T HA 0.851 5.201 4.350 -0.000 0.000 0.288 340 T C 1.043 175.730 174.700 -0.021 0.000 1.063 340 T CA -0.364 61.746 62.100 0.016 0.000 1.010 340 T CB 1.741 70.615 68.868 0.010 0.000 1.214 340 T HN 0.735 nan 8.240 nan 0.000 0.533 341 A N 0.465 123.273 122.820 -0.020 0.000 1.978 341 A HA 0.180 4.500 4.320 -0.000 0.000 0.220 341 A C 2.517 180.055 177.584 -0.076 0.000 1.170 341 A CA 2.120 54.131 52.037 -0.044 0.000 0.636 341 A CB -1.551 17.436 19.000 -0.023 0.000 0.810 341 A HN 1.275 nan 8.150 nan 0.000 0.448 342 A N 0.224 123.012 122.820 -0.054 0.000 1.858 342 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 342 A C 2.112 179.648 177.584 -0.080 0.000 1.190 342 A CA 1.554 53.559 52.037 -0.054 0.000 0.617 342 A CB -0.658 18.326 19.000 -0.028 0.000 0.827 342 A HN 0.518 nan 8.150 nan 0.000 0.443 343 I N -0.105 120.416 120.570 -0.081 0.000 2.163 343 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 343 I C 2.970 178.914 176.117 -0.290 0.000 1.085 343 I CA 1.151 62.394 61.300 -0.095 0.000 1.347 343 I CB -0.533 37.461 38.000 -0.011 0.000 1.044 343 I HN 0.350 nan 8.210 nan 0.000 0.408 344 A N 1.073 123.614 122.820 -0.465 0.000 1.908 344 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 344 A C 2.360 179.685 177.584 -0.432 0.000 1.181 344 A CA 2.154 53.644 52.037 -0.911 0.000 0.627 344 A CB -0.625 17.988 19.000 -0.645 0.000 0.818 344 A HN 0.335 nan 8.150 nan 0.000 0.445 345 R N 0.263 120.632 120.500 -0.219 0.000 2.094 345 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 345 R C 2.151 178.435 176.300 -0.027 0.000 1.137 345 R CA 2.288 58.325 56.100 -0.104 0.000 0.943 345 R CB -0.945 29.302 30.300 -0.088 0.000 0.850 345 R HN 0.404 nan 8.270 nan 0.000 0.433 346 A N 0.265 123.046 122.820 -0.065 0.000 1.908 346 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 346 A C 2.413 179.990 177.584 -0.012 0.000 1.181 346 A CA 1.914 53.937 52.037 -0.023 0.000 0.627 346 A CB -1.169 17.818 19.000 -0.021 0.000 0.818 346 A HN 0.550 nan 8.150 nan 0.000 0.445 347 A N -1.486 121.264 122.820 -0.117 0.000 2.024 347 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 347 A C 1.115 178.610 177.584 -0.149 0.000 1.164 347 A CA 0.966 52.886 52.037 -0.195 0.000 0.643 347 A CB -0.757 17.919 19.000 -0.541 0.000 0.806 347 A HN 0.549 nan 8.150 nan 0.000 0.451 348 Y N 0.399 120.655 120.300 -0.073 0.000 2.889 348 Y HA 0.365 4.915 4.550 -0.000 0.000 0.367 348 Y C 0.780 176.726 175.900 0.076 0.000 1.197 348 Y CA 0.187 58.333 58.100 0.077 0.000 1.993 348 Y CB -1.196 37.298 38.460 0.056 0.000 2.112 348 Y HN 0.088 nan 8.280 nan 0.000 0.413 349 V N 0.000 120.003 119.914 0.149 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.364 62.300 0.106 0.000 1.235 349 V CB 0.000 31.885 31.823 0.103 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556