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 3a4y_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA ALDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 R N 3.322 123.814 120.500 -0.013 0.000 2.771 2 R HA 0.785 5.126 4.340 0.001 0.000 0.274 2 R C -1.583 174.690 176.300 -0.044 0.000 0.987 2 R CA -1.070 55.015 56.100 -0.026 0.000 0.908 2 R CB 2.714 33.000 30.300 -0.023 0.000 1.213 2 R HN 0.634 nan 8.270 nan 0.000 0.468 3 I N 1.465 121.995 120.570 -0.067 0.000 2.406 3 I HA 0.291 4.462 4.170 0.001 0.000 0.290 3 I C -1.215 174.812 176.117 -0.149 0.000 0.999 3 I CA -0.775 60.464 61.300 -0.101 0.000 1.124 3 I CB 2.085 40.019 38.000 -0.110 0.000 1.289 3 I HN 0.395 nan 8.210 nan 0.000 0.441 4 V N 9.376 129.167 119.914 -0.205 0.000 2.334 4 V HA 0.498 4.619 4.120 0.001 0.000 0.281 4 V C -2.332 173.432 176.094 -0.549 0.000 1.016 4 V CA -1.689 60.383 62.300 -0.379 0.000 0.832 4 V CB 1.064 32.624 31.823 -0.439 0.000 0.999 4 V HN 0.631 nan 8.190 nan 0.000 0.439 5 P HA 0.327 nan 4.420 nan 0.000 0.276 5 P C -0.572 176.239 177.300 -0.815 0.000 1.230 5 P CA 0.051 62.952 63.100 -0.331 0.000 0.776 5 P CB 0.332 31.939 31.700 -0.155 0.000 0.888 6 F N 2.096 121.753 119.950 -0.488 0.000 2.733 6 F HA 0.537 5.065 4.527 0.001 0.000 0.380 6 F C 0.812 176.176 175.800 -0.727 0.000 1.324 6 F CA -0.013 57.527 58.000 -0.766 0.000 1.178 6 F CB 0.653 39.488 39.000 -0.276 0.000 1.093 6 F HN 0.442 nan 8.300 nan 0.000 0.512 7 G N -1.136 107.371 108.800 -0.488 0.000 2.321 7 G HA2 0.518 4.478 3.960 0.001 0.000 0.298 7 G HA3 0.518 4.478 3.960 0.001 0.000 0.298 7 G C 0.284 175.147 174.900 -0.062 0.000 1.385 7 G CA -0.135 44.879 45.100 -0.144 0.000 0.856 7 G HN 0.782 nan 8.290 nan 0.000 0.584 8 A N -1.957 120.895 122.820 0.053 0.000 3.408 8 A HA 0.155 4.476 4.320 0.001 0.000 0.269 8 A C 1.626 179.283 177.584 0.121 0.000 1.124 8 A CA 2.321 54.402 52.037 0.074 0.000 0.999 8 A CB -1.718 17.345 19.000 0.106 0.000 1.067 8 A HN 2.703 nan 8.150 nan 0.000 0.815 9 A N -1.057 121.843 122.820 0.134 0.000 2.491 9 A HA 0.523 4.843 4.320 0.001 0.000 0.261 9 A C 1.219 178.871 177.584 0.113 0.000 1.101 9 A CA 1.012 53.120 52.037 0.120 0.000 0.772 9 A CB -0.297 18.785 19.000 0.135 0.000 1.043 9 A HN 1.408 nan 8.150 nan 0.000 0.501 10 R N -0.604 119.942 120.500 0.077 0.000 3.946 10 R HA -0.226 4.115 4.340 0.001 0.000 0.329 10 R C -0.198 176.125 176.300 0.039 0.000 1.209 10 R CA 2.086 58.217 56.100 0.052 0.000 0.909 10 R CB -1.729 28.600 30.300 0.049 0.000 1.355 10 R HN 1.017 nan 8.270 nan 0.000 0.539 11 E N -2.037 118.189 120.200 0.043 0.000 2.366 11 E HA 0.343 4.693 4.350 0.001 0.000 0.278 11 E C 0.559 177.116 176.600 -0.071 0.000 0.923 11 E CA -0.394 56.015 56.400 0.014 0.000 0.761 11 E CB 1.412 31.160 29.700 0.080 0.000 1.231 11 E HN -0.029 nan 8.360 nan 0.000 0.443 12 V N -0.817 118.997 119.914 -0.165 0.000 3.305 12 V HA -0.004 4.116 4.120 0.001 0.000 0.269 12 V C 0.691 176.495 176.094 -0.483 0.000 1.157 12 V CA 1.588 63.606 62.300 -0.470 0.000 1.157 12 V CB -1.282 30.331 31.823 -0.349 0.000 0.772 12 V HN 0.769 nan 8.190 nan 0.000 0.498 13 T N -4.287 110.169 114.554 -0.163 0.000 2.910 13 T HA 0.716 5.067 4.350 0.001 0.000 0.287 13 T C 0.914 175.511 174.700 -0.170 0.000 1.050 13 T CA 0.204 62.232 62.100 -0.120 0.000 1.011 13 T CB 1.467 70.336 68.868 0.002 0.000 1.195 13 T HN 1.510 nan 8.240 nan 0.000 0.540 14 G N 0.368 108.889 108.800 -0.466 0.000 2.176 14 G HA2 -0.245 3.715 3.960 0.001 0.000 0.232 14 G HA3 -0.245 3.715 3.960 0.001 0.000 0.232 14 G C 0.298 174.821 174.900 -0.628 0.000 0.986 14 G CA -0.002 44.482 45.100 -1.027 0.000 0.643 14 G HN 1.234 nan 8.290 nan 0.000 0.522 15 S N 0.741 116.180 115.700 -0.435 0.000 3.545 15 S HA 0.349 4.820 4.470 0.001 0.000 0.421 15 S C 0.536 174.826 174.600 -0.517 0.000 1.160 15 S CA 1.277 59.214 58.200 -0.439 0.000 1.002 15 S CB 0.167 63.052 63.200 -0.525 0.000 0.703 15 S HN 2.038 nan 8.310 nan 0.000 0.505 16 A N 4.921 127.242 122.820 -0.832 0.000 2.534 16 A HA 0.563 4.884 4.320 0.001 0.000 0.300 16 A C -1.186 175.861 177.584 -0.895 0.000 1.054 16 A CA -0.811 50.865 52.037 -0.602 0.000 0.858 16 A CB 1.059 19.902 19.000 -0.260 0.000 1.333 16 A HN 0.791 nan 8.150 nan 0.000 0.391 17 H N 2.412 121.335 119.070 -0.245 0.000 3.018 17 H HA 0.405 4.961 4.556 0.001 0.000 0.334 17 H C -1.404 173.759 175.328 -0.274 0.000 0.983 17 H CA -0.659 55.208 56.048 -0.302 0.000 1.363 17 H CB 1.841 31.338 29.762 -0.442 0.000 1.668 17 H HN 0.561 nan 8.280 nan 0.000 0.513 18 L N 4.189 125.317 121.223 -0.159 0.000 2.281 18 L HA 0.222 4.563 4.340 0.001 0.000 0.285 18 L C -0.622 176.177 176.870 -0.120 0.000 1.074 18 L CA -0.586 54.137 54.840 -0.194 0.000 0.817 18 L CB 0.516 42.438 42.059 -0.227 0.000 1.168 18 L HN 0.477 nan 8.230 nan 0.000 0.434 19 L N 6.581 127.750 121.223 -0.091 0.000 2.259 19 L HA 0.445 4.786 4.340 0.001 0.000 0.288 19 L C -1.052 175.799 176.870 -0.033 0.000 1.051 19 L CA 0.093 54.901 54.840 -0.053 0.000 0.824 19 L CB 0.426 42.469 42.059 -0.026 0.000 1.206 19 L HN 0.554 nan 8.230 nan 0.000 0.429 20 L N 6.426 127.634 121.223 -0.025 0.000 2.260 20 L HA 0.837 5.177 4.340 0.001 0.000 0.289 20 L C 0.057 176.927 176.870 -0.001 0.000 1.057 20 L CA -0.082 54.755 54.840 -0.006 0.000 0.811 20 L CB 0.806 42.866 42.059 0.002 0.000 1.184 20 L HN 0.875 nan 8.230 nan 0.000 0.429 21 A N 1.916 124.738 122.820 0.005 0.000 2.569 21 A HA 0.570 4.890 4.320 0.001 0.000 0.292 21 A C 0.381 177.971 177.584 0.009 0.000 1.032 21 A CA -0.029 52.012 52.037 0.007 0.000 0.669 21 A CB 0.648 19.652 19.000 0.007 0.000 1.290 21 A HN 0.867 nan 8.150 nan 0.000 0.422 22 G N -0.406 108.399 108.800 0.007 0.000 2.212 22 G HA2 0.240 4.200 3.960 0.001 0.000 0.267 22 G HA3 0.240 4.200 3.960 0.001 0.000 0.267 22 G C 1.832 176.737 174.900 0.009 0.000 1.002 22 G CA 1.641 46.745 45.100 0.006 0.000 0.729 22 G HN 3.049 nan 8.290 nan 0.000 0.517 23 G N -1.993 106.814 108.800 0.011 0.000 2.171 23 G HA2 -0.093 3.867 3.960 0.001 0.000 0.238 23 G HA3 -0.093 3.867 3.960 0.001 0.000 0.238 23 G C 0.192 175.103 174.900 0.019 0.000 1.039 23 G CA 0.995 46.104 45.100 0.014 0.000 0.759 23 G HN 1.091 nan 8.290 nan 0.000 0.501 24 R N -1.165 119.346 120.500 0.020 0.000 2.781 24 R HA 0.619 4.959 4.340 0.001 0.000 0.269 24 R C -0.368 175.945 176.300 0.023 0.000 1.025 24 R CA -0.901 55.215 56.100 0.026 0.000 0.914 24 R CB 1.128 31.444 30.300 0.027 0.000 1.236 24 R HN 0.335 nan 8.270 nan 0.000 0.465 25 R N 0.652 121.169 120.500 0.029 0.000 2.422 25 R HA 0.496 4.837 4.340 0.001 0.000 0.307 25 R C -0.848 175.455 176.300 0.005 0.000 1.004 25 R CA -0.701 55.407 56.100 0.013 0.000 0.882 25 R CB 1.913 32.229 30.300 0.026 0.000 1.164 25 R HN 0.162 nan 8.270 nan 0.000 0.489 26 V N 4.535 124.439 119.914 -0.017 0.000 2.448 26 V HA 0.333 4.453 4.120 0.001 0.000 0.295 26 V C 0.095 176.145 176.094 -0.073 0.000 1.025 26 V CA -0.837 61.453 62.300 -0.018 0.000 0.859 26 V CB 2.147 33.975 31.823 0.009 0.000 0.988 26 V HN 0.625 nan 8.190 nan 0.000 0.431 27 L N 5.352 126.507 121.223 -0.113 0.000 2.276 27 L HA 0.437 4.778 4.340 0.001 0.000 0.286 27 L C -1.047 175.787 176.870 -0.061 0.000 1.061 27 L CA -0.699 54.035 54.840 -0.176 0.000 0.807 27 L CB 1.344 43.234 42.059 -0.281 0.000 1.177 27 L HN 0.489 nan 8.230 nan 0.000 0.429 28 L N 5.308 126.510 121.223 -0.034 0.000 2.287 28 L HA 0.424 4.764 4.340 0.001 0.000 0.280 28 L C -0.458 176.488 176.870 0.127 0.000 1.055 28 L CA 0.146 55.051 54.840 0.108 0.000 0.863 28 L CB 0.065 42.183 42.059 0.098 0.000 1.245 28 L HN 0.576 nan 8.230 nan 0.000 0.432 29 D N 1.236 121.732 120.400 0.160 0.000 10.694 29 D HA -0.230 4.411 4.640 0.001 0.000 0.343 29 D C -0.604 175.672 176.300 -0.039 0.000 3.140 29 D CA 0.201 54.278 54.000 0.128 0.000 2.670 29 D CB -0.235 40.713 40.800 0.246 0.000 1.232 29 D HN 0.589 nan 8.370 nan 0.000 0.946 30 C N 2.389 121.660 119.300 -0.049 0.000 3.173 30 C HA 0.558 5.018 4.460 0.001 0.000 0.209 30 C C 0.680 175.628 174.990 -0.071 0.000 1.229 30 C CA 0.402 59.378 59.018 -0.070 0.000 1.109 30 C CB -0.603 27.108 27.740 -0.048 0.000 1.833 30 C HN 0.632 nan 8.230 nan 0.000 0.626 31 G N 2.220 110.920 108.800 -0.167 0.000 2.562 31 G HA2 0.611 4.571 3.960 0.001 0.000 0.275 31 G HA3 0.611 4.571 3.960 0.001 0.000 0.275 31 G C -0.236 174.525 174.900 -0.231 0.000 1.196 31 G CA -0.434 44.555 45.100 -0.183 0.000 0.908 31 G HN 0.749 nan 8.290 nan 0.000 0.524 32 M N -0.634 118.869 119.600 -0.162 0.000 2.654 32 M HA 0.715 5.195 4.480 0.001 0.000 0.310 32 M C -1.232 174.909 176.300 -0.265 0.000 1.211 32 M CA -0.703 54.495 55.300 -0.171 0.000 0.947 32 M CB 1.591 34.257 32.600 0.109 0.000 1.647 32 M HN 0.226 nan 8.290 nan 0.000 0.481 33 F N 0.822 120.756 119.950 -0.027 0.000 2.382 33 F HA 0.364 4.891 4.527 0.001 0.000 0.331 33 F C 0.323 176.133 175.800 0.016 0.000 1.121 33 F CA 0.123 58.116 58.000 -0.012 0.000 1.183 33 F CB 0.991 39.977 39.000 -0.023 0.000 1.207 33 F HN 0.608 nan 8.300 nan 0.000 0.555 34 Q N 1.263 121.194 119.800 0.218 0.000 3.449 34 Q HA 0.310 4.651 4.340 0.001 0.000 0.272 34 Q C 0.196 176.277 176.000 0.134 0.000 0.787 34 Q CA -0.239 55.659 55.803 0.158 0.000 0.904 34 Q CB 1.297 30.115 28.738 0.133 0.000 1.536 34 Q HN 0.955 nan 8.270 nan 0.000 0.387 35 G N 0.722 109.599 108.800 0.128 0.000 2.524 35 G HA2 0.184 4.144 3.960 0.001 0.000 0.172 35 G HA3 0.184 4.144 3.960 0.001 0.000 0.172 35 G C 0.111 175.047 174.900 0.059 0.000 1.636 35 G CA -0.071 45.081 45.100 0.087 0.000 0.732 35 G HN 0.080 nan 8.290 nan 0.000 0.753 36 K N 0.831 121.249 120.400 0.030 0.000 2.788 36 K HA 0.175 4.496 4.320 0.001 0.000 0.190 36 K C -0.099 176.483 176.600 -0.031 0.000 1.143 36 K CA 0.155 56.446 56.287 0.007 0.000 1.099 36 K CB 0.649 33.150 32.500 0.001 0.000 0.767 36 K HN 0.388 nan 8.250 nan 0.000 0.466 37 E N -0.325 119.843 120.200 -0.053 0.000 2.948 37 E HA 0.021 4.372 4.350 0.001 0.000 0.186 37 E C -0.093 176.431 176.600 -0.126 0.000 0.951 37 E CA -0.098 56.220 56.400 -0.136 0.000 1.308 37 E CB -0.041 29.498 29.700 -0.268 0.000 1.037 37 E HN 0.221 nan 8.360 nan 0.000 0.469 38 E N 1.352 121.549 120.200 -0.004 0.000 2.253 38 E HA -0.236 4.115 4.350 0.001 0.000 0.202 38 E C 1.784 178.394 176.600 0.017 0.000 1.014 38 E CA 1.671 58.102 56.400 0.052 0.000 0.823 38 E CB -0.151 29.608 29.700 0.097 0.000 0.736 38 E HN 0.439 nan 8.360 nan 0.000 0.478 39 A N 1.484 124.327 122.820 0.037 0.000 2.084 39 A HA -0.221 4.100 4.320 0.001 0.000 0.221 39 A C 2.018 179.616 177.584 0.022 0.000 1.161 39 A CA 1.195 53.301 52.037 0.114 0.000 0.653 39 A CB -0.457 18.552 19.000 0.015 0.000 0.802 39 A HN 0.129 nan 8.150 nan 0.000 0.457 40 R N -0.333 120.101 120.500 -0.110 0.000 2.152 40 R HA -0.122 4.218 4.340 0.001 0.000 0.232 40 R C 1.524 177.770 176.300 -0.091 0.000 1.117 40 R CA 1.412 57.428 56.100 -0.140 0.000 0.981 40 R CB -0.455 29.600 30.300 -0.407 0.000 0.870 40 R HN 0.740 nan 8.270 nan 0.000 0.451 41 N N -0.499 118.072 118.700 -0.216 0.000 2.430 41 N HA -0.148 4.592 4.740 0.001 0.000 0.186 41 N C 1.090 176.118 175.510 -0.803 0.000 1.032 41 N CA 0.603 53.213 53.050 -0.733 0.000 0.893 41 N CB 0.030 37.656 38.487 -1.436 0.000 0.957 41 N HN 0.373 nan 8.380 nan 0.000 0.442 42 H N -0.380 118.522 119.070 -0.280 0.000 2.604 42 H HA 0.281 4.838 4.556 0.001 0.000 0.273 42 H C 0.796 176.030 175.328 -0.155 0.000 0.971 42 H CA -0.002 55.960 56.048 -0.143 0.000 1.249 42 H CB 0.298 30.020 29.762 -0.067 0.000 1.449 42 H HN 0.111 nan 8.280 nan 0.000 0.512 43 A N 3.467 126.248 122.820 -0.065 0.000 2.386 43 A HA 0.275 4.595 4.320 0.001 0.000 0.248 43 A C -1.699 175.760 177.584 -0.207 0.000 1.082 43 A CA -1.071 50.902 52.037 -0.106 0.000 0.789 43 A CB -0.048 18.894 19.000 -0.097 0.000 1.025 43 A HN 0.036 nan 8.150 nan 0.000 0.490 44 P HA 0.014 nan 4.420 nan 0.000 0.271 44 P C 0.193 177.317 177.300 -0.293 0.000 1.238 44 P CA 0.075 63.010 63.100 -0.275 0.000 0.794 44 P CB 0.268 31.880 31.700 -0.147 0.000 0.959 45 F N 0.052 119.828 119.950 -0.290 0.000 2.039 45 F HA 0.107 4.634 4.527 0.001 0.000 0.294 45 F C 2.302 177.920 175.800 -0.303 0.000 1.130 45 F CA 2.533 60.267 58.000 -0.443 0.000 1.189 45 F CB -1.107 37.097 39.000 -1.327 0.000 0.983 45 F HN 0.598 nan 8.300 nan 0.000 0.471 46 G N -1.571 107.113 108.800 -0.193 0.000 2.559 46 G HA2 -0.050 3.910 3.960 0.001 0.000 0.202 46 G HA3 -0.050 3.910 3.960 0.001 0.000 0.202 46 G C -0.220 174.634 174.900 -0.075 0.000 0.992 46 G CA -0.143 44.930 45.100 -0.045 0.000 0.764 46 G HN 0.376 nan 8.290 nan 0.000 0.525 47 F N -0.268 119.496 119.950 -0.310 0.000 2.662 47 F HA 0.788 5.315 4.527 0.001 0.000 0.312 47 F C -1.118 174.636 175.800 -0.077 0.000 1.113 47 F CA -2.282 55.601 58.000 -0.196 0.000 0.951 47 F CB 0.951 39.763 39.000 -0.314 0.000 1.344 47 F HN -0.076 nan 8.300 nan 0.000 0.462 48 D N 2.458 122.881 120.400 0.038 0.000 2.365 48 D HA 0.432 5.072 4.640 0.001 0.000 0.237 48 D C -1.884 174.421 176.300 0.008 0.000 1.190 48 D CA -2.207 51.783 54.000 -0.017 0.000 0.867 48 D CB 1.388 42.210 40.800 0.037 0.000 1.050 48 D HN 0.210 nan 8.370 nan 0.000 0.491 49 P HA -0.181 nan 4.420 nan 0.000 0.218 49 P C 0.657 178.000 177.300 0.072 0.000 1.146 49 P CA 1.300 64.357 63.100 -0.071 0.000 0.820 49 P CB 0.235 31.888 31.700 -0.079 0.000 0.778 50 K N -0.657 119.772 120.400 0.049 0.000 2.228 50 K HA -0.053 4.268 4.320 0.001 0.000 0.202 50 K C 1.602 178.234 176.600 0.052 0.000 1.051 50 K CA 0.784 57.094 56.287 0.038 0.000 0.960 50 K CB -0.125 32.384 32.500 0.015 0.000 0.743 50 K HN 0.172 nan 8.250 nan 0.000 0.458 51 E N 0.842 121.087 120.200 0.074 0.000 2.481 51 E HA 0.001 4.351 4.350 0.001 0.000 0.195 51 E C 0.240 176.900 176.600 0.099 0.000 1.047 51 E CA 0.181 56.626 56.400 0.075 0.000 0.867 51 E CB 0.152 29.897 29.700 0.075 0.000 0.858 51 E HN -0.011 nan 8.360 nan 0.000 0.513 52 V N 2.822 122.824 119.914 0.147 0.000 2.655 52 V HA -0.059 4.061 4.120 0.001 0.000 0.300 52 V C 1.259 177.488 176.094 0.225 0.000 1.044 52 V CA 0.457 62.853 62.300 0.160 0.000 1.095 52 V CB 1.007 32.902 31.823 0.120 0.000 0.952 52 V HN 0.079 nan 8.190 nan 0.000 0.485 53 D N 2.494 122.996 120.400 0.169 0.000 2.301 53 D HA 0.348 4.988 4.640 0.001 0.000 0.206 53 D C 0.477 176.930 176.300 0.254 0.000 0.979 53 D CA 1.154 55.251 54.000 0.162 0.000 0.874 53 D CB 1.063 41.923 40.800 0.099 0.000 0.968 53 D HN 0.676 nan 8.370 nan 0.000 0.510 54 A N -0.078 122.899 122.820 0.262 0.000 2.586 54 A HA 0.523 4.843 4.320 0.001 0.000 0.291 54 A C -1.614 176.037 177.584 0.112 0.000 1.062 54 A CA -0.574 51.646 52.037 0.305 0.000 0.666 54 A CB 1.267 20.471 19.000 0.341 0.000 1.281 54 A HN -0.113 nan 8.150 nan 0.000 0.421 55 V N 0.361 120.351 119.914 0.127 0.000 2.735 55 V HA 0.720 4.840 4.120 0.001 0.000 0.310 55 V C -1.183 175.028 176.094 0.195 0.000 1.061 55 V CA -0.507 61.804 62.300 0.018 0.000 0.913 55 V CB 1.606 33.332 31.823 -0.161 0.000 1.005 55 V HN 0.752 nan 8.190 nan 0.000 0.428 56 L N 4.748 126.079 121.223 0.180 0.000 2.381 56 L HA 0.635 4.975 4.340 0.001 0.000 0.274 56 L C -1.065 175.978 176.870 0.290 0.000 0.988 56 L CA -0.235 54.784 54.840 0.299 0.000 0.824 56 L CB 1.814 44.044 42.059 0.285 0.000 1.263 56 L HN 0.380 nan 8.230 nan 0.000 0.410 57 L N 2.461 123.858 121.223 0.290 0.000 2.313 57 L HA 0.475 4.815 4.340 0.001 0.000 0.283 57 L C 1.328 178.247 176.870 0.081 0.000 1.013 57 L CA -0.118 54.829 54.840 0.178 0.000 0.816 57 L CB 1.487 43.599 42.059 0.088 0.000 1.236 57 L HN 0.789 nan 8.230 nan 0.000 0.419 58 T N -1.470 113.150 114.554 0.110 0.000 3.043 58 T HA 0.111 4.461 4.350 0.001 0.000 0.263 58 T C 0.442 175.125 174.700 -0.028 0.000 1.094 58 T CA 0.798 62.871 62.100 -0.044 0.000 1.127 58 T CB -0.189 68.698 68.868 0.032 0.000 0.905 58 T HN 0.695 nan 8.240 nan 0.000 0.490 59 H N -2.708 116.227 119.070 -0.224 0.000 2.951 59 H HA 0.566 5.122 4.556 0.001 0.000 0.292 59 H C 0.692 175.948 175.328 -0.121 0.000 1.412 59 H CA -0.609 55.309 56.048 -0.217 0.000 1.206 59 H CB 0.975 30.601 29.762 -0.227 0.000 1.862 59 H HN -0.012 nan 8.280 nan 0.000 0.502 60 A N 1.246 124.016 122.820 -0.083 0.000 2.070 60 A HA 0.282 4.602 4.320 0.001 0.000 0.220 60 A C 1.458 178.981 177.584 -0.102 0.000 1.159 60 A CA 1.013 52.991 52.037 -0.098 0.000 0.656 60 A CB -0.954 18.006 19.000 -0.067 0.000 0.800 60 A HN 1.100 nan 8.150 nan 0.000 0.453 61 A N -0.721 122.020 122.820 -0.132 0.000 2.587 61 A HA 0.212 4.532 4.320 0.001 0.000 0.233 61 A C 1.167 178.737 177.584 -0.024 0.000 1.049 61 A CA 0.171 52.182 52.037 -0.043 0.000 0.754 61 A CB -0.070 18.952 19.000 0.037 0.000 0.977 61 A HN 0.544 nan 8.150 nan 0.000 0.509 62 L N 1.475 122.716 121.223 0.030 0.000 2.129 62 L HA -0.150 4.191 4.340 0.001 0.000 0.212 62 L C 2.114 179.010 176.870 0.042 0.000 1.087 62 L CA 2.586 57.453 54.840 0.044 0.000 0.757 62 L CB -0.635 41.472 42.059 0.080 0.000 0.896 62 L HN 0.898 nan 8.230 nan 0.000 0.434 63 D N -3.183 117.253 120.400 0.060 0.000 2.324 63 D HA -0.154 4.487 4.640 0.001 0.000 0.235 63 D C 1.300 177.552 176.300 -0.081 0.000 1.095 63 D CA 0.607 54.611 54.000 0.007 0.000 0.871 63 D CB -0.198 40.630 40.800 0.047 0.000 0.906 63 D HN 0.514 nan 8.370 nan 0.000 0.522 64 H N -0.579 118.421 119.070 -0.116 0.000 3.457 64 H HA 0.109 4.666 4.556 0.001 0.000 0.255 64 H C 1.596 176.856 175.328 -0.113 0.000 1.082 64 H CA 0.675 56.638 56.048 -0.142 0.000 1.189 64 H CB 1.692 31.239 29.762 -0.359 0.000 1.511 64 H HN 0.175 nan 8.280 nan 0.000 0.527 65 V N -3.893 116.020 119.914 -0.003 0.000 3.480 65 V HA 0.368 4.488 4.120 0.001 0.000 0.263 65 V C 2.250 178.317 176.094 -0.045 0.000 1.442 65 V CA 0.789 63.075 62.300 -0.024 0.000 1.053 65 V CB -0.109 31.691 31.823 -0.040 0.000 0.846 65 V HN 0.193 nan 8.190 nan 0.000 0.440 66 G N 0.728 109.514 108.800 -0.024 0.000 2.581 66 G HA2 -0.293 3.668 3.960 0.001 0.000 0.223 66 G HA3 -0.293 3.668 3.960 0.001 0.000 0.223 66 G C 1.581 176.497 174.900 0.026 0.000 1.094 66 G CA 1.461 46.562 45.100 0.002 0.000 0.736 66 G HN 0.499 nan 8.290 nan 0.000 0.588 67 R N -0.841 119.695 120.500 0.060 0.000 2.472 67 R HA 0.283 4.623 4.340 0.001 0.000 0.279 67 R C 1.936 178.314 176.300 0.130 0.000 0.953 67 R CA -0.355 55.858 56.100 0.189 0.000 1.088 67 R CB 0.012 30.434 30.300 0.203 0.000 1.197 67 R HN 0.337 nan 8.270 nan 0.000 0.536 68 L N 2.334 123.565 121.223 0.013 0.000 2.017 68 L HA -0.030 4.311 4.340 0.001 0.000 0.208 68 L C -1.113 175.847 176.870 0.149 0.000 1.073 68 L CA 1.989 56.871 54.840 0.069 0.000 0.745 68 L CB -0.669 41.415 42.059 0.041 0.000 0.894 68 L HN 0.021 nan 8.230 nan 0.000 0.432 69 P HA -0.260 nan 4.420 nan 0.000 0.216 69 P C 1.383 178.781 177.300 0.163 0.000 1.150 69 P CA 1.717 64.767 63.100 -0.083 0.000 0.837 69 P CB -0.145 31.216 31.700 -0.566 0.000 0.786 70 K N -0.488 120.018 120.400 0.177 0.000 2.209 70 K HA -0.118 4.203 4.320 0.001 0.000 0.204 70 K C 2.115 178.951 176.600 0.394 0.000 1.048 70 K CA 0.564 57.051 56.287 0.332 0.000 0.940 70 K CB -0.514 32.227 32.500 0.402 0.000 0.729 70 K HN -0.022 nan 8.250 nan 0.000 0.451 71 L N 0.234 121.694 121.223 0.394 0.000 2.156 71 L HA -0.035 4.305 4.340 0.001 0.000 0.208 71 L C 1.579 178.514 176.870 0.108 0.000 1.095 71 L CA 1.495 56.458 54.840 0.204 0.000 0.770 71 L CB -0.240 41.737 42.059 -0.138 0.000 0.914 71 L HN 0.108 nan 8.230 nan 0.000 0.439 72 F N -0.665 119.360 119.950 0.125 0.000 2.187 72 F HA -0.036 4.492 4.527 0.001 0.000 0.295 72 F C 2.681 178.543 175.800 0.102 0.000 1.091 72 F CA 1.220 59.284 58.000 0.106 0.000 1.308 72 F CB -0.560 38.476 39.000 0.060 0.000 1.030 72 F HN -0.047 nan 8.300 nan 0.000 0.487 73 R N 0.906 121.591 120.500 0.309 0.000 2.154 73 R HA -0.187 4.153 4.340 0.001 0.000 0.248 73 R C 0.863 177.258 176.300 0.159 0.000 1.155 73 R CA 1.762 57.989 56.100 0.213 0.000 0.979 73 R CB -0.280 30.148 30.300 0.213 0.000 0.869 73 R HN 0.360 nan 8.270 nan 0.000 0.452 74 E N -1.626 118.673 120.200 0.165 0.000 2.394 74 E HA 0.149 4.499 4.350 0.001 0.000 0.191 74 E C 0.604 177.253 176.600 0.081 0.000 1.044 74 E CA 0.304 56.776 56.400 0.120 0.000 0.939 74 E CB 1.127 30.918 29.700 0.151 0.000 1.089 74 E HN 0.614 nan 8.360 nan 0.000 0.456 75 G N 1.487 110.328 108.800 0.067 0.000 2.491 75 G HA2 -0.306 3.654 3.960 0.001 0.000 0.203 75 G HA3 -0.306 3.654 3.960 0.001 0.000 0.203 75 G C -0.009 174.862 174.900 -0.049 0.000 1.052 75 G CA -0.386 44.726 45.100 0.019 0.000 0.675 75 G HN 0.389 nan 8.290 nan 0.000 0.504 76 Y N 3.062 123.232 120.300 -0.217 0.000 2.881 76 Y HA 0.387 4.938 4.550 0.001 0.000 0.335 76 Y C 1.219 176.810 175.900 -0.515 0.000 1.263 76 Y CA 0.853 58.718 58.100 -0.392 0.000 1.572 76 Y CB 0.509 38.621 38.460 -0.579 0.000 1.237 76 Y HN 0.163 nan 8.280 nan 0.000 0.568 77 R N 4.635 124.525 120.500 -1.017 0.000 2.616 77 R HA 0.237 4.578 4.340 0.001 0.000 0.427 77 R C 0.388 176.217 176.300 -0.786 0.000 1.030 77 R CA 0.315 55.979 56.100 -0.727 0.000 1.133 77 R CB 0.521 30.676 30.300 -0.240 0.000 1.444 77 R HN 0.871 nan 8.270 nan 0.000 0.578 78 G N 1.712 109.548 108.800 -1.607 0.000 2.525 78 G HA2 0.397 4.358 3.960 0.001 0.000 0.287 78 G HA3 0.397 4.358 3.960 0.001 0.000 0.287 78 G C -2.453 172.416 174.900 -0.052 0.000 1.350 78 G CA -0.873 43.786 45.100 -0.734 0.000 1.039 78 G HN -0.101 nan 8.290 nan 0.000 0.513 79 P HA 0.386 nan 4.420 nan 0.000 0.279 79 P C -0.990 176.357 177.300 0.078 0.000 1.252 79 P CA -0.363 62.779 63.100 0.069 0.000 0.811 79 P CB 1.893 33.498 31.700 -0.158 0.000 1.035 80 V N 2.438 122.290 119.914 -0.104 0.000 2.482 80 V HA 0.282 4.403 4.120 0.001 0.000 0.295 80 V C -0.739 175.243 176.094 -0.187 0.000 1.026 80 V CA -0.492 61.805 62.300 -0.005 0.000 0.856 80 V CB 0.799 32.729 31.823 0.178 0.000 1.001 80 V HN 0.393 nan 8.190 nan 0.000 0.424 81 Y N 2.935 123.322 120.300 0.144 0.000 2.330 81 Y HA 0.836 5.386 4.550 0.001 0.000 0.336 81 Y C 0.462 176.504 175.900 0.236 0.000 1.036 81 Y CA -0.336 57.852 58.100 0.146 0.000 1.125 81 Y CB 1.989 40.494 38.460 0.075 0.000 1.194 81 Y HN 0.806 nan 8.280 nan 0.000 0.469 82 A N 0.769 123.792 122.820 0.338 0.000 2.610 82 A HA 0.635 4.956 4.320 0.001 0.000 0.291 82 A C -0.409 177.223 177.584 0.080 0.000 1.086 82 A CA -0.815 51.340 52.037 0.196 0.000 0.677 82 A CB 0.469 19.488 19.000 0.032 0.000 1.278 82 A HN 0.686 nan 8.150 nan 0.000 0.414 83 T N -0.705 113.752 114.554 -0.162 0.000 2.900 83 T HA 0.246 4.597 4.350 0.001 0.000 0.307 83 T C 1.209 175.816 174.700 -0.155 0.000 1.065 83 T CA -0.131 61.853 62.100 -0.194 0.000 1.105 83 T CB 0.709 69.322 68.868 -0.425 0.000 0.979 83 T HN 0.681 nan 8.240 nan 0.000 0.544 84 R N 1.218 121.678 120.500 -0.068 0.000 2.091 84 R HA -0.142 4.198 4.340 0.001 0.000 0.238 84 R C 2.551 178.704 176.300 -0.245 0.000 1.136 84 R CA 1.782 57.837 56.100 -0.075 0.000 0.959 84 R CB -1.306 29.020 30.300 0.044 0.000 0.856 84 R HN 0.906 nan 8.270 nan 0.000 0.437 85 A N -0.319 122.144 122.820 -0.596 0.000 1.908 85 A HA -0.151 4.169 4.320 0.001 0.000 0.218 85 A C 2.268 179.585 177.584 -0.447 0.000 1.181 85 A CA 2.125 53.679 52.037 -0.805 0.000 0.627 85 A CB -0.834 17.163 19.000 -1.671 0.000 0.818 85 A HN 0.387 nan 8.150 nan 0.000 0.445 86 T N -0.417 113.912 114.554 -0.376 0.000 2.746 86 T HA -0.111 4.239 4.350 0.001 0.000 0.267 86 T C 1.901 176.507 174.700 -0.157 0.000 1.039 86 T CA 1.504 63.464 62.100 -0.234 0.000 1.142 86 T CB -0.423 68.317 68.868 -0.213 0.000 0.866 86 T HN 0.156 nan 8.240 nan 0.000 0.444 87 V N 1.653 121.484 119.914 -0.138 0.000 2.252 87 V HA -0.177 3.944 4.120 0.001 0.000 0.249 87 V C 2.505 178.547 176.094 -0.087 0.000 1.056 87 V CA 1.686 63.932 62.300 -0.090 0.000 1.022 87 V CB -0.676 31.106 31.823 -0.069 0.000 0.641 87 V HN 0.452 nan 8.190 nan 0.000 0.445 88 L N -1.086 120.075 121.223 -0.104 0.000 2.083 88 L HA -0.197 4.143 4.340 0.001 0.000 0.209 88 L C 2.395 179.223 176.870 -0.070 0.000 1.083 88 L CA 1.438 56.229 54.840 -0.081 0.000 0.752 88 L CB -0.457 41.551 42.059 -0.085 0.000 0.899 88 L HN 0.315 nan 8.230 nan 0.000 0.433 89 L N -1.129 120.040 121.223 -0.089 0.000 2.109 89 L HA -0.187 4.154 4.340 0.001 0.000 0.207 89 L C 2.651 179.492 176.870 -0.048 0.000 1.086 89 L CA 1.043 55.847 54.840 -0.060 0.000 0.760 89 L CB -0.193 41.824 42.059 -0.071 0.000 0.910 89 L HN 0.291 nan 8.230 nan 0.000 0.437 90 M N -0.742 118.821 119.600 -0.061 0.000 2.149 90 M HA -0.279 4.201 4.480 0.001 0.000 0.261 90 M C 2.154 178.428 176.300 -0.044 0.000 1.064 90 M CA 1.717 56.985 55.300 -0.053 0.000 1.102 90 M CB -0.378 32.186 32.600 -0.060 0.000 1.369 90 M HN 0.267 nan 8.290 nan 0.000 0.408 91 E N 1.097 121.271 120.200 -0.043 0.000 2.051 91 E HA -0.196 4.155 4.350 0.001 0.000 0.192 91 E C 1.847 178.434 176.600 -0.020 0.000 0.991 91 E CA 1.277 57.656 56.400 -0.035 0.000 0.799 91 E CB -0.032 29.647 29.700 -0.034 0.000 0.748 91 E HN 0.502 nan 8.360 nan 0.000 0.449 92 I N 0.510 121.070 120.570 -0.018 0.000 2.226 92 I HA -0.245 3.926 4.170 0.001 0.000 0.245 92 I C 2.384 178.502 176.117 0.002 0.000 1.100 92 I CA 0.696 61.991 61.300 -0.008 0.000 1.374 92 I CB -0.178 37.816 38.000 -0.010 0.000 1.057 92 I HN 0.096 nan 8.210 nan 0.000 0.413 93 V N 0.507 120.421 119.914 -0.001 0.000 2.307 93 V HA -0.250 3.871 4.120 0.001 0.000 0.245 93 V C 2.346 178.451 176.094 0.019 0.000 1.045 93 V CA 1.461 63.768 62.300 0.012 0.000 1.024 93 V CB -0.420 31.404 31.823 0.003 0.000 0.651 93 V HN 0.280 nan 8.190 nan 0.000 0.449 94 L N -0.332 120.890 121.223 -0.002 0.000 2.156 94 L HA -0.045 4.296 4.340 0.001 0.000 0.208 94 L C 2.491 179.388 176.870 0.045 0.000 1.095 94 L CA 1.624 56.464 54.840 0.000 0.000 0.770 94 L CB -0.914 41.113 42.059 -0.054 0.000 0.914 94 L HN 0.298 nan 8.230 nan 0.000 0.439 95 E N -0.689 119.527 120.200 0.026 0.000 2.106 95 E HA -0.256 4.095 4.350 0.001 0.000 0.192 95 E C 1.748 178.372 176.600 0.042 0.000 0.984 95 E CA 1.360 57.779 56.400 0.031 0.000 0.806 95 E CB -0.067 29.641 29.700 0.013 0.000 0.750 95 E HN 0.577 nan 8.360 nan 0.000 0.458 96 D N 0.232 120.657 120.400 0.042 0.000 2.123 96 D HA -0.063 4.578 4.640 0.001 0.000 0.200 96 D C 1.917 178.256 176.300 0.065 0.000 0.976 96 D CA 1.333 55.361 54.000 0.047 0.000 0.831 96 D CB 0.088 40.916 40.800 0.045 0.000 0.974 96 D HN 0.104 nan 8.370 nan 0.000 0.469 97 A N 0.498 123.375 122.820 0.094 0.000 1.883 97 A HA -0.157 4.163 4.320 0.001 0.000 0.217 97 A C 2.338 179.976 177.584 0.091 0.000 1.186 97 A CA 1.097 53.215 52.037 0.135 0.000 0.624 97 A CB -1.093 18.044 19.000 0.229 0.000 0.822 97 A HN 0.416 nan 8.150 nan 0.000 0.444 98 L N -0.730 120.556 121.223 0.105 0.000 2.042 98 L HA -0.230 4.111 4.340 0.001 0.000 0.210 98 L C 2.687 179.537 176.870 -0.033 0.000 1.076 98 L CA 2.189 57.028 54.840 -0.002 0.000 0.749 98 L CB -0.276 41.818 42.059 0.058 0.000 0.893 98 L HN 0.536 nan 8.230 nan 0.000 0.432 99 K N -0.625 119.779 120.400 0.007 0.000 2.097 99 K HA -0.081 4.240 4.320 0.001 0.000 0.205 99 K C 0.264 176.867 176.600 0.006 0.000 1.050 99 K CA 0.905 57.195 56.287 0.005 0.000 0.938 99 K CB 0.320 32.832 32.500 0.019 0.000 0.718 99 K HN 0.176 nan 8.250 nan 0.000 0.442 100 V N 2.108 122.032 119.914 0.017 0.000 2.384 100 V HA 0.290 4.411 4.120 0.001 0.000 0.257 100 V C -0.841 175.270 176.094 0.028 0.000 0.969 100 V CA -0.403 61.913 62.300 0.026 0.000 0.910 100 V CB 0.771 32.621 31.823 0.045 0.000 1.150 100 V HN 0.253 nan 8.190 nan 0.000 0.481 101 M N 3.708 123.305 119.600 -0.005 0.000 2.106 101 M HA 0.275 4.755 4.480 0.001 0.000 0.241 101 M C 0.956 177.244 176.300 -0.021 0.000 0.946 101 M CA -0.405 54.891 55.300 -0.007 0.000 1.024 101 M CB 0.827 33.385 32.600 -0.070 0.000 2.191 101 M HN 0.668 nan 8.290 nan 0.000 0.429 102 D N 2.576 122.990 120.400 0.022 0.000 2.689 102 D HA -0.239 4.401 4.640 0.001 0.000 0.420 102 D C -0.505 175.802 176.300 0.012 0.000 1.128 102 D CA 1.771 55.786 54.000 0.025 0.000 1.294 102 D CB -0.329 40.502 40.800 0.052 0.000 1.419 102 D HN 0.529 nan 8.370 nan 0.000 0.505 103 E N 2.345 122.580 120.200 0.059 0.000 1.986 103 E HA 0.323 4.674 4.350 0.001 0.000 0.264 103 E C -1.864 174.809 176.600 0.122 0.000 1.023 103 E CA -1.871 54.576 56.400 0.078 0.000 0.834 103 E CB 1.126 30.888 29.700 0.103 0.000 1.111 103 E HN 0.425 nan 8.360 nan 0.000 0.417 104 P HA 0.061 nan 4.420 nan 0.000 0.275 104 P C 0.138 177.313 177.300 -0.208 0.000 1.227 104 P CA -0.287 62.569 63.100 -0.406 0.000 0.781 104 P CB 0.335 31.608 31.700 -0.710 0.000 0.906 105 F N 0.771 120.629 119.950 -0.155 0.000 2.765 105 F HA 0.325 4.853 4.527 0.001 0.000 0.302 105 F C 0.352 176.234 175.800 0.137 0.000 1.111 105 F CA -0.875 57.126 58.000 0.002 0.000 1.359 105 F CB -0.585 38.279 39.000 -0.227 0.000 1.097 105 F HN 0.034 nan 8.300 nan 0.000 0.577 106 F N -0.631 119.178 119.950 -0.235 0.000 2.613 106 F HA 0.919 5.447 4.527 0.001 0.000 0.310 106 F C -0.107 175.629 175.800 -0.106 0.000 1.085 106 F CA -2.364 55.561 58.000 -0.126 0.000 0.945 106 F CB 0.807 39.707 39.000 -0.167 0.000 1.298 106 F HN -0.055 nan 8.300 nan 0.000 0.455 107 G N 0.452 109.303 108.800 0.086 0.000 2.461 107 G HA2 0.568 4.528 3.960 0.001 0.000 0.329 107 G HA3 0.568 4.528 3.960 0.001 0.000 0.329 107 G C -2.149 172.799 174.900 0.079 0.000 1.170 107 G CA -2.088 43.017 45.100 0.008 0.000 0.935 107 G HN 0.512 nan 8.290 nan 0.000 0.492 108 P HA -0.154 nan 4.420 nan 0.000 0.219 108 P C 1.274 178.600 177.300 0.042 0.000 1.146 108 P CA 1.256 64.380 63.100 0.040 0.000 0.808 108 P CB 0.298 32.002 31.700 0.007 0.000 0.779 109 E N 0.252 120.477 120.200 0.041 0.000 2.216 109 E HA -0.147 4.203 4.350 0.001 0.000 0.192 109 E C 1.174 177.797 176.600 0.039 0.000 0.988 109 E CA 0.927 57.348 56.400 0.035 0.000 0.834 109 E CB -0.934 28.789 29.700 0.038 0.000 0.772 109 E HN 0.223 nan 8.360 nan 0.000 0.479 110 D N 1.290 121.734 120.400 0.074 0.000 2.137 110 D HA -0.052 4.588 4.640 0.001 0.000 0.202 110 D C 2.250 178.529 176.300 -0.035 0.000 0.970 110 D CA 0.884 54.928 54.000 0.072 0.000 0.837 110 D CB -0.017 40.885 40.800 0.171 0.000 0.981 110 D HN 0.072 nan 8.370 nan 0.000 0.475 111 V N 1.437 121.363 119.914 0.019 0.000 2.233 111 V HA -0.243 3.878 4.120 0.001 0.000 0.247 111 V C 2.465 178.492 176.094 -0.110 0.000 1.050 111 V CA 1.852 64.120 62.300 -0.053 0.000 1.010 111 V CB -0.513 31.333 31.823 0.039 0.000 0.637 111 V HN 0.208 nan 8.190 nan 0.000 0.444 112 E N -0.503 119.662 120.200 -0.059 0.000 2.267 112 E HA -0.298 4.053 4.350 0.001 0.000 0.197 112 E C 2.061 178.597 176.600 -0.107 0.000 0.998 112 E CA 1.369 57.728 56.400 -0.067 0.000 0.830 112 E CB 0.080 29.762 29.700 -0.030 0.000 0.751 112 E HN 0.661 nan 8.360 nan 0.000 0.491 113 E N 0.055 120.164 120.200 -0.152 0.000 2.060 113 E HA -0.038 4.312 4.350 0.001 0.000 0.189 113 E C 1.735 177.990 176.600 -0.574 0.000 0.974 113 E CA 1.247 57.526 56.400 -0.202 0.000 0.808 113 E CB -0.270 29.365 29.700 -0.110 0.000 0.768 113 E HN 0.277 nan 8.360 nan 0.000 0.453 114 A N 0.992 123.229 122.820 -0.971 0.000 1.851 114 A HA -0.170 4.151 4.320 0.001 0.000 0.216 114 A C 2.321 179.638 177.584 -0.445 0.000 1.195 114 A CA 1.710 52.980 52.037 -1.279 0.000 0.622 114 A CB -1.092 17.500 19.000 -0.680 0.000 0.831 114 A HN 0.344 nan 8.150 nan 0.000 0.444 115 L N -0.539 120.527 121.223 -0.262 0.000 2.129 115 L HA -0.204 4.136 4.340 0.001 0.000 0.212 115 L C 2.682 179.490 176.870 -0.103 0.000 1.087 115 L CA 1.110 55.870 54.840 -0.134 0.000 0.757 115 L CB -0.769 41.227 42.059 -0.105 0.000 0.896 115 L HN 0.536 nan 8.230 nan 0.000 0.434 116 G N -1.813 106.916 108.800 -0.118 0.000 2.484 116 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 116 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 116 G C 1.018 175.815 174.900 -0.173 0.000 1.130 116 G CA 0.320 45.344 45.100 -0.127 0.000 0.784 116 G HN 0.444 nan 8.290 nan 0.000 0.543 117 H N -0.669 118.359 119.070 -0.070 0.000 2.539 117 H HA 0.343 4.900 4.556 0.001 0.000 0.269 117 H C 0.725 176.050 175.328 -0.006 0.000 0.980 117 H CA -0.405 55.667 56.048 0.039 0.000 1.152 117 H CB 0.177 30.118 29.762 0.298 0.000 1.407 117 H HN 0.151 nan 8.280 nan 0.000 0.564 118 L N 1.901 123.145 121.223 0.034 0.000 2.455 118 L HA 0.199 4.540 4.340 0.001 0.000 0.272 118 L C 0.195 177.027 176.870 -0.064 0.000 1.174 118 L CA 0.400 55.230 54.840 -0.016 0.000 0.869 118 L CB 0.546 42.592 42.059 -0.021 0.000 1.130 118 L HN 0.168 nan 8.230 nan 0.000 0.474 119 R N 4.327 124.760 120.500 -0.111 0.000 2.621 119 R HA 0.474 4.814 4.340 0.001 0.000 0.292 119 R C -2.529 173.789 176.300 0.030 0.000 0.969 119 R CA -1.898 54.155 56.100 -0.078 0.000 0.887 119 R CB 1.924 32.112 30.300 -0.186 0.000 1.180 119 R HN 0.368 nan 8.270 nan 0.000 0.450 120 P HA 0.152 nan 4.420 nan 0.000 0.274 120 P C -1.064 176.328 177.300 0.153 0.000 1.231 120 P CA -0.381 62.770 63.100 0.086 0.000 0.790 120 P CB 1.064 32.793 31.700 0.048 0.000 0.951 121 L N 1.775 123.093 121.223 0.158 0.000 2.661 121 L HA 0.346 4.686 4.340 0.001 0.000 0.263 121 L C -0.518 176.428 176.870 0.126 0.000 0.956 121 L CA -0.269 54.655 54.840 0.140 0.000 0.918 121 L CB 1.408 43.565 42.059 0.162 0.000 1.280 121 L HN 0.189 nan 8.230 nan 0.000 0.416 122 E N 2.392 122.602 120.200 0.016 0.000 2.292 122 E HA 0.300 4.650 4.350 0.001 0.000 0.258 122 E C -0.982 175.576 176.600 -0.069 0.000 1.115 122 E CA -0.500 55.856 56.400 -0.074 0.000 0.929 122 E CB 0.464 30.137 29.700 -0.045 0.000 1.161 122 E HN 0.388 nan 8.360 nan 0.000 0.453 123 Y N 0.126 120.440 120.300 0.024 0.000 2.721 123 Y HA 0.212 4.762 4.550 0.001 0.000 0.329 123 Y C 1.709 177.534 175.900 -0.126 0.000 1.211 123 Y CA 1.516 59.584 58.100 -0.055 0.000 1.512 123 Y CB -0.035 38.369 38.460 -0.093 0.000 1.249 123 Y HN 0.750 nan 8.280 nan 0.000 0.549 124 G N 1.648 110.395 108.800 -0.088 0.000 2.268 124 G HA2 -0.258 3.703 3.960 0.001 0.000 0.240 124 G HA3 -0.258 3.703 3.960 0.001 0.000 0.240 124 G C 0.101 174.796 174.900 -0.341 0.000 1.010 124 G CA -0.041 44.937 45.100 -0.203 0.000 0.618 124 G HN 0.571 nan 8.290 nan 0.000 0.516 125 E N -0.411 119.626 120.200 -0.271 0.000 2.366 125 E HA 0.396 4.747 4.350 0.001 0.000 0.266 125 E C -0.505 175.836 176.600 -0.432 0.000 1.051 125 E CA -0.411 55.857 56.400 -0.221 0.000 0.884 125 E CB 0.574 30.208 29.700 -0.110 0.000 1.006 125 E HN 0.386 nan 8.360 nan 0.000 0.417 126 W N 2.711 123.952 121.300 -0.098 0.000 2.433 126 W HA 0.340 5.000 4.660 0.001 0.000 0.315 126 W C -0.597 175.825 176.519 -0.162 0.000 1.087 126 W CA -0.690 56.578 57.345 -0.128 0.000 1.205 126 W CB 0.761 30.169 29.460 -0.086 0.000 1.288 126 W HN 0.312 nan 8.180 nan 0.000 0.504 127 L N 4.967 126.172 121.223 -0.029 0.000 2.313 127 L HA 0.574 4.915 4.340 0.001 0.000 0.283 127 L C -0.424 176.407 176.870 -0.065 0.000 1.013 127 L CA -0.874 53.869 54.840 -0.161 0.000 0.816 127 L CB 0.599 42.384 42.059 -0.457 0.000 1.236 127 L HN 0.287 nan 8.230 nan 0.000 0.419 128 R N 6.084 126.557 120.500 -0.044 0.000 2.407 128 R HA 0.636 4.976 4.340 0.001 0.000 0.303 128 R C -1.394 174.890 176.300 -0.026 0.000 0.981 128 R CA -0.601 55.489 56.100 -0.017 0.000 0.905 128 R CB 1.404 31.703 30.300 -0.002 0.000 1.099 128 R HN 0.696 nan 8.270 nan 0.000 0.459 129 L N 2.178 123.393 121.223 -0.013 0.000 2.568 129 L HA 0.256 4.596 4.340 0.001 0.000 0.262 129 L C 0.783 177.657 176.870 0.007 0.000 0.980 129 L CA -0.346 54.496 54.840 0.002 0.000 0.882 129 L CB 1.817 43.877 42.059 0.002 0.000 1.198 129 L HN 0.975 nan 8.230 nan 0.000 0.425 130 G N 2.811 111.616 108.800 0.010 0.000 2.596 130 G HA2 -0.339 3.622 3.960 0.001 0.000 0.304 130 G HA3 -0.339 3.622 3.960 0.001 0.000 0.304 130 G C 0.506 175.406 174.900 0.000 0.000 1.189 130 G CA 0.468 45.573 45.100 0.007 0.000 0.986 130 G HN 0.926 nan 8.290 nan 0.000 0.548 131 A N -0.648 122.172 122.820 -0.000 0.000 2.708 131 A HA 0.699 5.019 4.320 0.001 0.000 0.293 131 A C 0.181 177.762 177.584 -0.005 0.000 1.303 131 A CA 0.917 52.950 52.037 -0.007 0.000 0.949 131 A CB -0.043 18.953 19.000 -0.007 0.000 1.121 131 A HN 1.668 nan 8.150 nan 0.000 0.542 132 L N -0.798 120.425 121.223 0.000 0.000 2.341 132 L HA 0.811 5.152 4.340 0.001 0.000 0.267 132 L C -0.598 176.284 176.870 0.019 0.000 1.009 132 L CA -0.150 54.696 54.840 0.010 0.000 0.819 132 L CB 2.303 44.370 42.059 0.013 0.000 1.323 132 L HN -0.026 nan 8.230 nan 0.000 0.425 133 S N 3.713 119.446 115.700 0.055 0.000 2.557 133 S HA 0.861 5.332 4.470 0.001 0.000 0.291 133 S C -1.182 173.561 174.600 0.238 0.000 1.116 133 S CA -0.442 57.839 58.200 0.135 0.000 0.992 133 S CB 1.426 64.674 63.200 0.079 0.000 1.028 133 S HN 0.509 nan 8.310 nan 0.000 0.484 134 L N 1.907 123.250 121.223 0.201 0.000 2.371 134 L HA 0.997 5.338 4.340 0.001 0.000 0.262 134 L C -0.435 176.240 176.870 -0.324 0.000 1.006 134 L CA -0.630 54.206 54.840 -0.006 0.000 0.818 134 L CB 2.047 44.016 42.059 -0.149 0.000 1.354 134 L HN 0.763 nan 8.230 nan 0.000 0.415 135 A N 0.966 123.435 122.820 -0.585 0.000 2.574 135 A HA 0.829 5.150 4.320 0.001 0.000 0.297 135 A C -1.690 175.554 177.584 -0.566 0.000 1.062 135 A CA -0.418 51.081 52.037 -0.895 0.000 0.686 135 A CB 1.088 19.071 19.000 -1.694 0.000 1.285 135 A HN 0.343 nan 8.150 nan 0.000 0.403 136 F N 0.821 120.525 119.950 -0.410 0.000 2.379 136 F HA 0.658 5.185 4.527 0.001 0.000 0.332 136 F C 1.100 176.646 175.800 -0.423 0.000 1.096 136 F CA -0.243 57.547 58.000 -0.351 0.000 1.105 136 F CB 1.947 40.785 39.000 -0.271 0.000 1.189 136 F HN 0.751 nan 8.300 nan 0.000 0.515 137 G N 0.749 109.187 108.800 -0.604 0.000 2.537 137 G HA2 0.463 4.423 3.960 0.001 0.000 0.308 137 G HA3 0.463 4.423 3.960 0.001 0.000 0.308 137 G C -1.569 172.967 174.900 -0.606 0.000 1.237 137 G CA -0.746 43.757 45.100 -0.995 0.000 0.968 137 G HN 0.438 nan 8.290 nan 0.000 0.481 138 Q N 0.187 119.765 119.800 -0.369 0.000 2.307 138 Q HA 0.526 4.866 4.340 0.001 0.000 0.261 138 Q C 0.824 176.852 176.000 0.046 0.000 1.051 138 Q CA 0.493 56.075 55.803 -0.368 0.000 0.911 138 Q CB 1.095 29.534 28.738 -0.497 0.000 1.227 138 Q HN 0.562 nan 8.270 nan 0.000 0.418 139 A N 3.598 126.435 122.820 0.028 0.000 2.147 139 A HA 0.351 4.671 4.320 0.001 0.000 0.211 139 A C 1.456 178.977 177.584 -0.106 0.000 1.160 139 A CA 0.524 52.568 52.037 0.013 0.000 0.781 139 A CB -0.500 18.449 19.000 -0.084 0.000 0.842 139 A HN 1.357 nan 8.150 nan 0.000 0.475 140 G N -1.175 107.559 108.800 -0.109 0.000 2.203 140 G HA2 -0.385 3.576 3.960 0.001 0.000 0.263 140 G HA3 -0.385 3.576 3.960 0.001 0.000 0.263 140 G C 0.632 175.463 174.900 -0.114 0.000 1.012 140 G CA 1.320 46.352 45.100 -0.113 0.000 0.749 140 G HN 0.839 nan 8.290 nan 0.000 0.512 141 H N -1.294 117.612 119.070 -0.274 0.000 2.476 141 H HA 0.646 5.202 4.556 0.001 0.000 0.292 141 H C 0.851 176.020 175.328 -0.264 0.000 1.019 141 H CA 1.196 57.041 56.048 -0.337 0.000 1.330 141 H CB 0.197 29.637 29.762 -0.538 0.000 1.451 141 H HN 0.361 nan 8.280 nan 0.000 0.535 142 L N -0.149 120.862 121.223 -0.354 0.000 2.479 142 L HA 0.418 4.759 4.340 0.001 0.000 0.255 142 L C -2.534 174.196 176.870 -0.234 0.000 1.026 142 L CA -2.504 52.153 54.840 -0.305 0.000 0.842 142 L CB 2.089 43.999 42.059 -0.248 0.000 1.444 142 L HN -0.072 nan 8.230 nan 0.000 0.409 143 P HA 0.260 nan 4.420 nan 0.000 0.261 143 P C 0.480 177.532 177.300 -0.413 0.000 1.203 143 P CA 1.021 63.852 63.100 -0.449 0.000 0.767 143 P CB 0.373 31.670 31.700 -0.671 0.000 0.785 144 G N 2.300 110.949 108.800 -0.252 0.000 2.157 144 G HA2 -0.237 3.724 3.960 0.001 0.000 0.248 144 G HA3 -0.237 3.724 3.960 0.001 0.000 0.248 144 G C 0.285 175.092 174.900 -0.155 0.000 0.979 144 G CA 0.146 45.093 45.100 -0.256 0.000 0.650 144 G HN 0.717 nan 8.290 nan 0.000 0.529 145 S N -0.200 115.448 115.700 -0.087 0.000 2.549 145 S HA 0.784 5.255 4.470 0.001 0.000 0.279 145 S C 0.319 174.876 174.600 -0.072 0.000 1.321 145 S CA 0.658 58.765 58.200 -0.155 0.000 1.054 145 S CB 2.124 65.172 63.200 -0.253 0.000 0.899 145 S HN 1.952 nan 8.310 nan 0.000 0.497 146 A N 2.473 125.158 122.820 -0.225 0.000 2.469 146 A HA 0.860 5.181 4.320 0.001 0.000 0.299 146 A C -0.499 177.013 177.584 -0.120 0.000 1.098 146 A CA -1.202 50.719 52.037 -0.194 0.000 0.737 146 A CB 0.924 19.522 19.000 -0.670 0.000 1.312 146 A HN 1.133 nan 8.150 nan 0.000 0.414 147 F N -0.486 119.448 119.950 -0.028 0.000 2.572 147 F HA 0.882 5.410 4.527 0.001 0.000 0.342 147 F C -0.623 175.260 175.800 0.138 0.000 1.064 147 F CA -1.268 56.694 58.000 -0.063 0.000 1.008 147 F CB 1.158 40.163 39.000 0.008 0.000 1.303 147 F HN 0.308 nan 8.300 nan 0.000 0.492 148 V N 1.857 122.043 119.914 0.454 0.000 2.604 148 V HA 0.532 4.653 4.120 0.001 0.000 0.305 148 V C -0.741 175.577 176.094 0.374 0.000 1.043 148 V CA -0.870 61.647 62.300 0.361 0.000 0.888 148 V CB 1.741 33.786 31.823 0.370 0.000 0.995 148 V HN 0.741 nan 8.190 nan 0.000 0.429 149 V N 3.456 123.490 119.914 0.199 0.000 2.417 149 V HA 0.838 4.958 4.120 0.001 0.000 0.291 149 V C 0.165 176.350 176.094 0.152 0.000 1.024 149 V CA -0.380 62.043 62.300 0.205 0.000 0.861 149 V CB 1.615 33.546 31.823 0.180 0.000 0.985 149 V HN 1.016 nan 8.190 nan 0.000 0.436 150 A N 4.528 127.449 122.820 0.170 0.000 2.335 150 A HA 0.777 5.097 4.320 0.001 0.000 0.304 150 A C -0.791 176.874 177.584 0.136 0.000 1.118 150 A CA -0.555 51.566 52.037 0.140 0.000 0.757 150 A CB 1.643 20.703 19.000 0.100 0.000 1.188 150 A HN 0.594 nan 8.150 nan 0.000 0.460 151 Q N 1.760 121.646 119.800 0.144 0.000 2.325 151 Q HA 0.656 4.997 4.340 0.001 0.000 0.270 151 Q C -0.674 175.349 176.000 0.038 0.000 1.020 151 Q CA -0.180 55.674 55.803 0.086 0.000 0.785 151 Q CB 1.847 30.633 28.738 0.080 0.000 1.259 151 Q HN 1.300 nan 8.270 nan 0.000 0.452 152 G N 1.990 110.802 108.800 0.020 0.000 2.667 152 G HA2 0.389 4.350 3.960 0.001 0.000 0.294 152 G HA3 0.389 4.350 3.960 0.001 0.000 0.294 152 G C -1.169 173.731 174.900 0.000 0.000 1.467 152 G CA -0.616 44.486 45.100 0.004 0.000 0.852 152 G HN 0.656 nan 8.290 nan 0.000 0.521 153 E N -0.677 119.519 120.200 -0.007 0.000 2.389 153 E HA -0.206 4.145 4.350 0.001 0.000 0.243 153 E C 1.284 177.879 176.600 -0.008 0.000 1.154 153 E CA 1.082 57.478 56.400 -0.007 0.000 0.723 153 E CB -1.388 28.310 29.700 -0.002 0.000 1.261 153 E HN 2.393 nan 8.360 nan 0.000 0.390 154 G N 0.093 108.886 108.800 -0.013 0.000 2.321 154 G HA2 -0.371 3.589 3.960 0.001 0.000 0.287 154 G HA3 -0.371 3.589 3.960 0.001 0.000 0.287 154 G C 0.140 175.036 174.900 -0.006 0.000 1.018 154 G CA 0.976 46.068 45.100 -0.013 0.000 0.855 154 G HN 0.247 nan 8.290 nan 0.000 0.507 155 R N -1.277 119.223 120.500 0.000 0.000 2.912 155 R HA 0.788 5.128 4.340 0.001 0.000 0.262 155 R C -0.833 175.480 176.300 0.021 0.000 1.057 155 R CA -0.458 55.646 56.100 0.008 0.000 0.981 155 R CB 1.790 32.094 30.300 0.007 0.000 1.201 155 R HN 0.139 nan 8.270 nan 0.000 0.484 156 T N 1.835 116.405 114.554 0.027 0.000 3.143 156 T HA 0.338 4.688 4.350 0.001 0.000 0.312 156 T C -1.167 173.564 174.700 0.051 0.000 0.986 156 T CA -0.584 61.545 62.100 0.049 0.000 1.024 156 T CB 1.242 70.139 68.868 0.049 0.000 1.030 156 T HN 0.380 nan 8.240 nan 0.000 0.448 157 L N 4.120 125.386 121.223 0.073 0.000 2.334 157 L HA 0.935 5.276 4.340 0.001 0.000 0.276 157 L C -1.376 175.572 176.870 0.131 0.000 1.014 157 L CA -0.556 54.331 54.840 0.079 0.000 0.815 157 L CB 1.623 43.721 42.059 0.064 0.000 1.268 157 L HN 0.441 nan 8.230 nan 0.000 0.428 158 V N 5.250 125.249 119.914 0.142 0.000 2.531 158 V HA 0.343 4.464 4.120 0.001 0.000 0.301 158 V C -1.256 175.010 176.094 0.287 0.000 1.034 158 V CA -0.443 61.988 62.300 0.219 0.000 0.865 158 V CB 1.483 33.385 31.823 0.132 0.000 0.995 158 V HN 0.746 nan 8.190 nan 0.000 0.424 159 Y N 4.210 124.633 120.300 0.206 0.000 2.356 159 Y HA 0.326 4.876 4.550 0.001 0.000 0.334 159 Y C 1.488 177.526 175.900 0.230 0.000 0.958 159 Y CA -0.185 58.006 58.100 0.151 0.000 1.196 159 Y CB 2.029 40.556 38.460 0.112 0.000 1.137 159 Y HN 0.779 nan 8.280 nan 0.000 0.485 160 S N 4.103 119.805 115.700 0.004 0.000 2.382 160 S HA 0.132 4.603 4.470 0.001 0.000 0.228 160 S C 1.315 175.585 174.600 -0.550 0.000 1.027 160 S CA 0.839 58.860 58.200 -0.297 0.000 0.991 160 S CB -0.802 62.165 63.200 -0.388 0.000 0.823 160 S HN 1.469 nan 8.310 nan 0.000 0.469 161 G N 1.604 109.842 108.800 -0.936 0.000 2.552 161 G HA2 -0.202 3.759 3.960 0.001 0.000 0.265 161 G HA3 -0.202 3.759 3.960 0.001 0.000 0.265 161 G C -1.115 173.575 174.900 -0.351 0.000 1.234 161 G CA 0.207 44.946 45.100 -0.602 0.000 0.944 161 G HN 0.556 nan 8.290 nan 0.000 0.568 162 D N 0.341 120.473 120.400 -0.446 0.000 2.163 162 D HA 0.650 5.290 4.640 0.001 0.000 0.248 162 D C 0.259 176.199 176.300 -0.601 0.000 1.035 162 D CA -0.220 53.421 54.000 -0.598 0.000 0.872 162 D CB 1.399 41.610 40.800 -0.981 0.000 1.183 162 D HN 0.485 nan 8.370 nan 0.000 0.445 163 L N 1.632 122.551 121.223 -0.506 0.000 2.296 163 L HA 0.495 4.835 4.340 0.001 0.000 0.286 163 L C 1.276 177.985 176.870 -0.268 0.000 1.023 163 L CA -0.773 53.800 54.840 -0.444 0.000 0.812 163 L CB 1.650 43.367 42.059 -0.571 0.000 1.223 163 L HN 0.365 nan 8.230 nan 0.000 0.421 164 G N 1.617 110.312 108.800 -0.176 0.000 2.647 164 G HA2 -0.075 3.886 3.960 0.001 0.000 0.271 164 G HA3 -0.075 3.886 3.960 0.001 0.000 0.271 164 G C -0.175 174.694 174.900 -0.051 0.000 1.300 164 G CA -0.410 44.647 45.100 -0.072 0.000 0.997 164 G HN 0.798 nan 8.290 nan 0.000 0.533 165 N N -0.583 118.100 118.700 -0.028 0.000 2.817 165 N HA 0.094 4.835 4.740 0.001 0.000 0.234 165 N C 1.828 177.313 175.510 -0.042 0.000 1.066 165 N CA -0.544 52.508 53.050 0.003 0.000 0.926 165 N CB 0.364 38.849 38.487 -0.003 0.000 1.176 165 N HN 0.632 nan 8.380 nan 0.000 0.506 166 R N 2.505 122.986 120.500 -0.030 0.000 2.174 166 R HA -0.228 4.113 4.340 0.001 0.000 0.253 166 R C 0.448 176.699 176.300 -0.082 0.000 1.165 166 R CA 1.680 57.752 56.100 -0.047 0.000 0.984 166 R CB -0.337 29.957 30.300 -0.010 0.000 0.873 166 R HN 0.587 nan 8.270 nan 0.000 0.456 167 E N 0.822 120.980 120.200 -0.070 0.000 2.472 167 E HA -0.051 4.300 4.350 0.001 0.000 0.200 167 E C 0.018 176.403 176.600 -0.360 0.000 1.046 167 E CA 0.605 56.944 56.400 -0.101 0.000 0.871 167 E CB 0.117 29.828 29.700 0.019 0.000 0.806 167 E HN 0.468 nan 8.360 nan 0.000 0.533 168 K N 0.582 120.674 120.400 -0.514 0.000 2.102 168 K HA 0.073 4.394 4.320 0.001 0.000 0.244 168 K C 0.288 176.563 176.600 -0.542 0.000 1.021 168 K CA -0.354 55.339 56.287 -0.989 0.000 0.913 168 K CB 0.637 32.756 32.500 -0.636 0.000 1.062 168 K HN -0.158 nan 8.250 nan 0.000 0.485 169 D N 0.037 120.152 120.400 -0.474 0.000 2.338 169 D HA -0.044 4.597 4.640 0.001 0.000 0.208 169 D C 1.684 177.859 176.300 -0.208 0.000 0.997 169 D CA 0.529 54.408 54.000 -0.203 0.000 0.880 169 D CB 0.115 40.910 40.800 -0.008 0.000 0.980 169 D HN 0.147 nan 8.370 nan 0.000 0.509 170 V N 1.101 120.860 119.914 -0.257 0.000 2.244 170 V HA -0.112 4.008 4.120 0.001 0.000 0.244 170 V C 1.044 177.157 176.094 0.032 0.000 1.042 170 V CA 0.962 63.125 62.300 -0.227 0.000 1.006 170 V CB -0.212 31.537 31.823 -0.123 0.000 0.641 170 V HN 0.102 nan 8.190 nan 0.000 0.446 171 L N 0.839 122.071 121.223 0.015 0.000 2.416 171 L HA 0.434 4.775 4.340 0.001 0.000 0.262 171 L C -2.139 174.710 176.870 -0.035 0.000 1.093 171 L CA -2.518 52.330 54.840 0.013 0.000 0.801 171 L CB -0.161 41.869 42.059 -0.048 0.000 1.191 171 L HN 0.114 nan 8.230 nan 0.000 0.459 172 P HA 0.102 nan 4.420 nan 0.000 0.274 172 P C -0.820 176.436 177.300 -0.075 0.000 1.231 172 P CA -0.595 62.465 63.100 -0.067 0.000 0.790 172 P CB 0.697 32.336 31.700 -0.102 0.000 0.951 173 D N 2.210 122.577 120.400 -0.056 0.000 2.419 173 D HA 0.114 4.755 4.640 0.001 0.000 0.236 173 D C -1.976 174.309 176.300 -0.026 0.000 1.165 173 D CA -0.540 53.438 54.000 -0.037 0.000 0.882 173 D CB -0.764 40.028 40.800 -0.013 0.000 1.201 173 D HN 0.255 nan 8.370 nan 0.000 0.443 174 P HA 0.093 nan 4.420 nan 0.000 0.275 174 P C -0.449 176.949 177.300 0.163 0.000 1.228 174 P CA -0.382 62.754 63.100 0.060 0.000 0.786 174 P CB 0.761 32.465 31.700 0.006 0.000 0.927 175 S N 2.818 118.672 115.700 0.255 0.000 2.586 175 S HA 0.358 4.829 4.470 0.001 0.000 0.274 175 S C -0.015 174.807 174.600 0.369 0.000 1.281 175 S CA -0.685 57.670 58.200 0.259 0.000 1.035 175 S CB -0.129 63.210 63.200 0.231 0.000 0.962 175 S HN 0.242 nan 8.310 nan 0.000 0.512 176 L N 4.477 125.775 121.223 0.126 0.000 2.452 176 L HA 0.397 4.738 4.340 0.001 0.000 0.267 176 L C -1.634 175.086 176.870 -0.250 0.000 1.188 176 L CA -1.729 52.998 54.840 -0.188 0.000 0.821 176 L CB 0.380 42.322 42.059 -0.196 0.000 1.102 176 L HN 0.615 nan 8.230 nan 0.000 0.470 177 P HA 0.311 nan 4.420 nan 0.000 0.282 177 P C -2.660 174.476 177.300 -0.273 0.000 1.259 177 P CA -1.533 61.218 63.100 -0.581 0.000 0.826 177 P CB 0.485 31.468 31.700 -1.195 0.000 1.064 178 P HA 0.169 nan 4.420 nan 0.000 0.275 178 P C -0.290 176.958 177.300 -0.087 0.000 1.266 178 P CA -0.506 62.578 63.100 -0.028 0.000 0.793 178 P CB 0.426 32.172 31.700 0.077 0.000 1.074 179 L N 0.516 121.702 121.223 -0.061 0.000 2.455 179 L HA 0.433 4.774 4.340 0.001 0.000 0.272 179 L C -0.341 176.507 176.870 -0.038 0.000 1.174 179 L CA 0.138 54.937 54.840 -0.067 0.000 0.869 179 L CB -0.665 41.366 42.059 -0.046 0.000 1.130 179 L HN 0.574 nan 8.230 nan 0.000 0.474 180 A N 3.913 126.706 122.820 -0.045 0.000 2.475 180 A HA 0.447 4.768 4.320 0.001 0.000 0.301 180 A C 0.435 178.011 177.584 -0.013 0.000 1.059 180 A CA -0.526 51.503 52.037 -0.014 0.000 0.710 180 A CB 0.785 19.784 19.000 -0.002 0.000 1.288 180 A HN 0.802 nan 8.150 nan 0.000 0.408 181 D N -0.227 120.172 120.400 -0.001 0.000 2.144 181 D HA -0.039 4.602 4.640 0.001 0.000 0.199 181 D C 0.028 176.327 176.300 -0.003 0.000 0.984 181 D CA 1.712 55.710 54.000 -0.003 0.000 0.834 181 D CB 0.179 40.980 40.800 0.001 0.000 0.955 181 D HN 0.302 nan 8.370 nan 0.000 0.465 182 L N 0.174 121.401 121.223 0.005 0.000 2.455 182 L HA 0.338 4.679 4.340 0.001 0.000 0.264 182 L C -1.505 175.379 176.870 0.023 0.000 0.968 182 L CA -0.691 54.153 54.840 0.007 0.000 0.827 182 L CB 2.637 44.698 42.059 0.003 0.000 1.317 182 L HN -0.359 nan 8.230 nan 0.000 0.407 183 V N 5.376 125.306 119.914 0.026 0.000 2.409 183 V HA 0.409 4.530 4.120 0.001 0.000 0.290 183 V C -0.682 175.457 176.094 0.075 0.000 1.017 183 V CA -0.503 61.835 62.300 0.063 0.000 0.841 183 V CB 1.587 33.437 31.823 0.046 0.000 1.003 183 V HN 0.626 nan 8.190 nan 0.000 0.426 184 L N 5.881 127.163 121.223 0.099 0.000 2.282 184 L HA 0.792 5.132 4.340 0.001 0.000 0.287 184 L C 0.386 177.351 176.870 0.159 0.000 1.075 184 L CA 0.289 55.162 54.840 0.056 0.000 0.839 184 L CB 0.435 42.451 42.059 -0.073 0.000 1.219 184 L HN 0.734 nan 8.230 nan 0.000 0.434 185 A N 4.151 127.042 122.820 0.117 0.000 2.330 185 A HA 0.717 5.038 4.320 0.001 0.000 0.329 185 A C -0.479 177.151 177.584 0.078 0.000 1.135 185 A CA -0.689 51.416 52.037 0.114 0.000 0.817 185 A CB 0.792 19.874 19.000 0.137 0.000 1.269 185 A HN 0.757 nan 8.150 nan 0.000 0.469 186 E N 0.079 120.290 120.200 0.018 0.000 2.318 186 E HA 0.565 4.915 4.350 0.001 0.000 0.265 186 E C 0.445 177.056 176.600 0.019 0.000 1.069 186 E CA -0.153 56.251 56.400 0.007 0.000 0.893 186 E CB 1.118 30.699 29.700 -0.198 0.000 1.076 186 E HN 0.606 nan 8.360 nan 0.000 0.414 187 G N 1.056 109.894 108.800 0.062 0.000 4.165 187 G HA2 -0.000 3.960 3.960 0.001 0.000 0.287 187 G HA3 -0.000 3.960 3.960 0.001 0.000 0.287 187 G C 0.732 175.649 174.900 0.029 0.000 1.019 187 G CA 0.154 45.282 45.100 0.046 0.000 0.806 187 G HN 0.530 nan 8.290 nan 0.000 0.447 188 T N 0.604 115.181 114.554 0.038 0.000 2.656 188 T HA -0.300 4.051 4.350 0.001 0.000 0.262 188 T C 1.025 175.547 174.700 -0.296 0.000 1.070 188 T CA 1.743 63.782 62.100 -0.101 0.000 1.160 188 T CB -0.322 68.409 68.868 -0.228 0.000 0.855 188 T HN 0.389 nan 8.240 nan 0.000 0.456 189 Y N 0.336 120.624 120.300 -0.020 0.000 2.722 189 Y HA 0.509 5.059 4.550 0.001 0.000 0.314 189 Y C 1.618 177.488 175.900 -0.051 0.000 1.008 189 Y CA -0.929 57.155 58.100 -0.027 0.000 1.294 189 Y CB 0.146 38.606 38.460 0.000 0.000 1.231 189 Y HN 0.195 nan 8.280 nan 0.000 0.558 190 G N -0.143 108.674 108.800 0.028 0.000 2.708 190 G HA2 -0.193 3.768 3.960 0.001 0.000 0.210 190 G HA3 -0.193 3.768 3.960 0.001 0.000 0.210 190 G C 1.027 175.929 174.900 0.004 0.000 1.141 190 G CA 0.979 46.091 45.100 0.021 0.000 0.788 190 G HN 0.486 nan 8.290 nan 0.000 0.531 191 D N -0.655 119.739 120.400 -0.011 0.000 2.369 191 D HA 0.057 4.697 4.640 0.001 0.000 0.211 191 D C 1.023 177.315 176.300 -0.013 0.000 1.077 191 D CA -0.204 53.784 54.000 -0.019 0.000 0.842 191 D CB 0.397 41.172 40.800 -0.041 0.000 0.947 191 D HN 0.426 nan 8.370 nan 0.000 0.509 192 R N -0.726 119.771 120.500 -0.006 0.000 3.033 192 R HA 0.249 4.590 4.340 0.001 0.000 0.284 192 R C -3.648 172.609 176.300 -0.071 0.000 0.997 192 R CA -0.932 55.156 56.100 -0.020 0.000 0.851 192 R CB 0.149 30.440 30.300 -0.014 0.000 1.297 192 R HN -0.208 nan 8.270 nan 0.000 0.518 193 P HA 0.347 nan 4.420 nan 0.000 0.278 193 P C -0.826 176.391 177.300 -0.138 0.000 1.266 193 P CA -0.368 62.638 63.100 -0.156 0.000 0.807 193 P CB 0.801 32.475 31.700 -0.044 0.000 1.094 194 H N -0.175 118.945 119.070 0.083 0.000 2.483 194 H HA 0.289 4.845 4.556 0.001 0.000 0.338 194 H C 0.646 176.023 175.328 0.082 0.000 1.152 194 H CA -0.487 55.630 56.048 0.115 0.000 1.264 194 H CB 0.944 30.745 29.762 0.065 0.000 1.510 194 H HN 0.428 nan 8.280 nan 0.000 0.530 195 R N 2.164 122.796 120.500 0.221 0.000 2.623 195 R HA 0.077 4.417 4.340 0.001 0.000 0.271 195 R C -2.359 173.990 176.300 0.082 0.000 1.043 195 R CA -1.083 55.087 56.100 0.117 0.000 1.083 195 R CB -0.103 30.250 30.300 0.088 0.000 0.974 195 R HN 0.315 nan 8.270 nan 0.000 0.436 196 P HA -0.153 nan 4.420 nan 0.000 0.264 196 P C -0.615 176.695 177.300 0.018 0.000 1.173 196 P CA 0.473 63.608 63.100 0.058 0.000 0.761 196 P CB 0.229 31.956 31.700 0.045 0.000 0.794 197 Y N 3.913 124.166 120.300 -0.078 0.000 2.242 197 Y HA -0.175 4.375 4.550 0.001 0.000 0.291 197 Y C 2.260 178.076 175.900 -0.141 0.000 1.137 197 Y CA 1.484 59.487 58.100 -0.163 0.000 1.181 197 Y CB -0.059 38.316 38.460 -0.142 0.000 0.989 197 Y HN 0.216 nan 8.280 nan 0.000 0.527 198 R N 0.490 121.032 120.500 0.070 0.000 2.080 198 R HA -0.222 4.119 4.340 0.001 0.000 0.236 198 R C 2.319 178.563 176.300 -0.094 0.000 1.137 198 R CA 2.112 58.225 56.100 0.023 0.000 0.943 198 R CB -0.551 29.793 30.300 0.074 0.000 0.846 198 R HN 0.676 nan 8.270 nan 0.000 0.431 199 E N -0.156 119.999 120.200 -0.076 0.000 2.150 199 E HA -0.106 4.244 4.350 0.001 0.000 0.193 199 E C 1.459 177.980 176.600 -0.132 0.000 0.985 199 E CA 1.446 57.803 56.400 -0.072 0.000 0.814 199 E CB -0.281 29.401 29.700 -0.029 0.000 0.752 199 E HN 0.117 nan 8.360 nan 0.000 0.466 200 T N 1.255 115.658 114.554 -0.251 0.000 2.720 200 T HA -0.129 4.222 4.350 0.001 0.000 0.268 200 T C 2.029 176.530 174.700 -0.332 0.000 1.037 200 T CA 1.571 63.459 62.100 -0.354 0.000 1.144 200 T CB -0.230 68.215 68.868 -0.704 0.000 0.864 200 T HN 0.062 nan 8.240 nan 0.000 0.444 201 V N 1.481 121.126 119.914 -0.449 0.000 2.358 201 V HA -0.151 3.969 4.120 0.001 0.000 0.246 201 V C 2.622 178.680 176.094 -0.059 0.000 1.047 201 V CA 1.506 63.658 62.300 -0.247 0.000 1.035 201 V CB -0.567 31.080 31.823 -0.293 0.000 0.658 201 V HN 0.406 nan 8.190 nan 0.000 0.452 202 R N -0.024 120.426 120.500 -0.083 0.000 2.083 202 R HA -0.218 4.122 4.340 0.001 0.000 0.237 202 R C 2.379 178.666 176.300 -0.021 0.000 1.137 202 R CA 1.889 57.959 56.100 -0.049 0.000 0.951 202 R CB -0.388 29.892 30.300 -0.034 0.000 0.851 202 R HN 0.606 nan 8.270 nan 0.000 0.434 203 E N 0.334 120.533 120.200 -0.002 0.000 2.072 203 E HA -0.198 4.153 4.350 0.001 0.000 0.191 203 E C 1.778 178.385 176.600 0.012 0.000 0.985 203 E CA 0.839 57.243 56.400 0.006 0.000 0.801 203 E CB -0.104 29.613 29.700 0.029 0.000 0.750 203 E HN 0.249 nan 8.360 nan 0.000 0.452 204 F N 1.281 121.193 119.950 -0.062 0.000 2.091 204 F HA -0.247 4.281 4.527 0.001 0.000 0.299 204 F C 1.904 177.648 175.800 -0.093 0.000 1.103 204 F CA 1.494 59.471 58.000 -0.038 0.000 1.228 204 F CB -0.074 38.983 39.000 0.095 0.000 0.984 204 F HN -0.000 nan 8.300 nan 0.000 0.477 205 L N 0.029 121.208 121.223 -0.074 0.000 2.056 205 L HA -0.192 4.148 4.340 0.001 0.000 0.207 205 L C 2.383 179.129 176.870 -0.207 0.000 1.078 205 L CA 1.646 56.371 54.840 -0.192 0.000 0.749 205 L CB -0.890 41.094 42.059 -0.125 0.000 0.901 205 L HN 0.187 nan 8.230 nan 0.000 0.433 206 E N 0.549 120.663 120.200 -0.143 0.000 2.070 206 E HA -0.254 4.096 4.350 0.001 0.000 0.197 206 E C 2.250 178.745 176.600 -0.175 0.000 1.004 206 E CA 1.503 57.829 56.400 -0.123 0.000 0.805 206 E CB -0.218 29.435 29.700 -0.079 0.000 0.744 206 E HN 0.455 nan 8.360 nan 0.000 0.451 207 I N 1.052 121.471 120.570 -0.253 0.000 2.151 207 I HA -0.323 3.847 4.170 0.001 0.000 0.243 207 I C 2.447 178.380 176.117 -0.307 0.000 1.080 207 I CA 1.181 62.282 61.300 -0.331 0.000 1.339 207 I CB -0.328 37.358 38.000 -0.522 0.000 1.039 207 I HN 0.133 nan 8.210 nan 0.000 0.409 208 L N 0.182 121.171 121.223 -0.391 0.000 2.017 208 L HA -0.210 4.131 4.340 0.001 0.000 0.208 208 L C 2.574 179.319 176.870 -0.209 0.000 1.073 208 L CA 1.480 56.116 54.840 -0.340 0.000 0.745 208 L CB -0.645 41.142 42.059 -0.453 0.000 0.894 208 L HN 0.262 nan 8.230 nan 0.000 0.432 209 E N 0.096 120.188 120.200 -0.179 0.000 2.058 209 E HA -0.298 4.053 4.350 0.001 0.000 0.194 209 E C 2.055 178.600 176.600 -0.093 0.000 0.997 209 E CA 1.538 57.869 56.400 -0.114 0.000 0.801 209 E CB -0.014 29.632 29.700 -0.089 0.000 0.746 209 E HN 0.203 nan 8.360 nan 0.000 0.450 210 K N 0.716 121.057 120.400 -0.098 0.000 1.965 210 K HA -0.165 4.155 4.320 0.001 0.000 0.214 210 K C 2.300 178.863 176.600 -0.062 0.000 1.046 210 K CA 2.503 58.749 56.287 -0.069 0.000 0.944 210 K CB -1.021 31.441 32.500 -0.064 0.000 0.726 210 K HN 0.215 nan 8.250 nan 0.000 0.441 211 T N -0.301 114.206 114.554 -0.079 0.000 2.652 211 T HA -0.161 4.190 4.350 0.001 0.000 0.267 211 T C 2.087 176.754 174.700 -0.055 0.000 1.039 211 T CA 1.815 63.880 62.100 -0.059 0.000 1.153 211 T CB -0.646 68.180 68.868 -0.070 0.000 0.863 211 T HN 0.231 nan 8.240 nan 0.000 0.428 212 L N 0.842 122.021 121.223 -0.074 0.000 2.042 212 L HA -0.072 4.269 4.340 0.001 0.000 0.210 212 L C 3.234 180.078 176.870 -0.044 0.000 1.076 212 L CA 1.490 56.294 54.840 -0.060 0.000 0.749 212 L CB -0.723 41.290 42.059 -0.077 0.000 0.893 212 L HN 0.328 nan 8.230 nan 0.000 0.432 213 S N -0.578 115.094 115.700 -0.046 0.000 2.447 213 S HA -0.178 4.293 4.470 0.001 0.000 0.233 213 S C 1.653 176.238 174.600 -0.024 0.000 1.006 213 S CA 1.122 59.302 58.200 -0.034 0.000 0.957 213 S CB -0.134 63.046 63.200 -0.034 0.000 0.773 213 S HN 0.581 nan 8.310 nan 0.000 0.507 214 Q N -0.098 119.688 119.800 -0.023 0.000 2.246 214 Q HA 0.356 4.697 4.340 0.001 0.000 0.202 214 Q C 0.927 176.920 176.000 -0.012 0.000 0.883 214 Q CA 0.507 56.301 55.803 -0.015 0.000 0.952 214 Q CB 0.082 28.813 28.738 -0.012 0.000 1.078 214 Q HN 0.348 nan 8.270 nan 0.000 0.493 215 G N 0.163 108.954 108.800 -0.014 0.000 2.143 215 G HA2 -0.259 3.701 3.960 0.001 0.000 0.248 215 G HA3 -0.259 3.701 3.960 0.001 0.000 0.248 215 G C 0.335 175.232 174.900 -0.005 0.000 0.991 215 G CA -0.118 44.977 45.100 -0.008 0.000 0.689 215 G HN 0.715 nan 8.290 nan 0.000 0.522 216 G N -0.772 108.022 108.800 -0.010 0.000 2.557 216 G HA2 0.596 4.556 3.960 0.001 0.000 0.292 216 G HA3 0.596 4.556 3.960 0.001 0.000 0.292 216 G C -0.099 174.796 174.900 -0.008 0.000 1.237 216 G CA -0.670 44.426 45.100 -0.006 0.000 0.978 216 G HN 0.386 nan 8.290 nan 0.000 0.498 217 K N -0.417 119.982 120.400 -0.002 0.000 2.185 217 K HA 0.457 4.778 4.320 0.001 0.000 0.269 217 K C -0.995 175.590 176.600 -0.024 0.000 0.987 217 K CA -0.570 55.717 56.287 -0.001 0.000 0.865 217 K CB 2.448 34.959 32.500 0.019 0.000 1.090 217 K HN 0.133 nan 8.250 nan 0.000 0.450 218 V N 4.905 124.792 119.914 -0.045 0.000 2.350 218 V HA 0.178 4.298 4.120 0.001 0.000 0.276 218 V C -0.668 175.379 176.094 -0.078 0.000 1.028 218 V CA -0.802 61.451 62.300 -0.079 0.000 0.860 218 V CB 0.832 32.580 31.823 -0.125 0.000 0.990 218 V HN 0.487 nan 8.190 nan 0.000 0.453 219 L N 7.083 128.253 121.223 -0.088 0.000 2.282 219 L HA 0.582 4.923 4.340 0.001 0.000 0.288 219 L C -0.159 176.623 176.870 -0.147 0.000 1.033 219 L CA -0.209 54.562 54.840 -0.114 0.000 0.807 219 L CB 1.251 43.255 42.059 -0.092 0.000 1.209 219 L HN 0.455 nan 8.230 nan 0.000 0.423 220 I N 5.268 125.753 120.570 -0.142 0.000 2.448 220 I HA 0.314 4.485 4.170 0.001 0.000 0.281 220 I C -2.350 173.683 176.117 -0.141 0.000 1.027 220 I CA -1.743 59.476 61.300 -0.135 0.000 1.111 220 I CB 2.054 40.011 38.000 -0.071 0.000 1.236 220 I HN 0.343 nan 8.210 nan 0.000 0.452 221 P HA 0.207 nan 4.420 nan 0.000 0.276 221 P C -0.597 176.605 177.300 -0.162 0.000 1.230 221 P CA 0.021 63.048 63.100 -0.123 0.000 0.776 221 P CB 0.920 32.588 31.700 -0.055 0.000 0.888 222 T N -0.383 114.051 114.554 -0.200 0.000 2.923 222 T HA 0.572 4.922 4.350 0.001 0.000 0.311 222 T C -0.641 173.909 174.700 -0.249 0.000 1.183 222 T CA -0.759 61.203 62.100 -0.230 0.000 1.020 222 T CB 0.459 69.263 68.868 -0.105 0.000 1.165 222 T HN -0.022 nan 8.240 nan 0.000 0.482 223 F N 1.237 121.220 119.950 0.054 0.000 2.429 223 F HA 0.529 5.056 4.527 0.001 0.000 0.348 223 F C 1.884 177.703 175.800 0.031 0.000 1.109 223 F CA -0.390 57.648 58.000 0.063 0.000 1.232 223 F CB 0.827 39.878 39.000 0.086 0.000 1.157 223 F HN 0.903 nan 8.300 nan 0.000 0.564 224 A N 2.699 125.644 122.820 0.208 0.000 1.897 224 A HA -0.040 4.281 4.320 0.001 0.000 0.215 224 A C 2.001 179.626 177.584 0.068 0.000 1.181 224 A CA 1.297 53.392 52.037 0.096 0.000 0.620 224 A CB -0.770 18.276 19.000 0.077 0.000 0.821 224 A HN 0.589 nan 8.150 nan 0.000 0.443 225 V N -0.176 119.801 119.914 0.105 0.000 2.231 225 V HA -0.209 3.911 4.120 0.001 0.000 0.239 225 V C 2.528 178.659 176.094 0.061 0.000 1.035 225 V CA 2.219 64.557 62.300 0.064 0.000 0.989 225 V CB -0.522 31.340 31.823 0.066 0.000 0.636 225 V HN 0.670 nan 8.190 nan 0.000 0.457 226 E N -0.924 119.328 120.200 0.086 0.000 2.389 226 E HA -0.029 4.322 4.350 0.001 0.000 0.199 226 E C 2.249 178.923 176.600 0.124 0.000 0.978 226 E CA -0.027 56.443 56.400 0.117 0.000 0.912 226 E CB 0.313 30.052 29.700 0.064 0.000 0.907 226 E HN 0.278 nan 8.360 nan 0.000 0.494 227 R N 1.185 121.769 120.500 0.139 0.000 2.081 227 R HA -0.036 4.304 4.340 0.001 0.000 0.235 227 R C 2.105 178.437 176.300 0.053 0.000 1.131 227 R CA 1.832 58.009 56.100 0.128 0.000 0.960 227 R CB -0.724 29.706 30.300 0.217 0.000 0.856 227 R HN 0.141 nan 8.270 nan 0.000 0.436 228 A N 0.659 123.501 122.820 0.037 0.000 1.883 228 A HA -0.217 4.104 4.320 0.001 0.000 0.217 228 A C 1.936 179.531 177.584 0.019 0.000 1.186 228 A CA 1.690 53.724 52.037 -0.006 0.000 0.624 228 A CB -0.594 18.392 19.000 -0.023 0.000 0.822 228 A HN 0.456 nan 8.150 nan 0.000 0.444 229 Q N -0.203 119.605 119.800 0.014 0.000 2.112 229 Q HA -0.258 4.082 4.340 0.001 0.000 0.206 229 Q C 1.840 178.049 176.000 0.348 0.000 0.987 229 Q CA 1.840 57.698 55.803 0.092 0.000 0.858 229 Q CB -0.643 28.002 28.738 -0.155 0.000 0.905 229 Q HN 0.910 nan 8.270 nan 0.000 0.420 230 E N 0.284 120.639 120.200 0.259 0.000 2.150 230 E HA -0.128 4.223 4.350 0.001 0.000 0.193 230 E C 1.890 178.587 176.600 0.162 0.000 0.985 230 E CA 0.421 56.972 56.400 0.252 0.000 0.814 230 E CB 0.186 30.009 29.700 0.204 0.000 0.752 230 E HN 0.192 nan 8.360 nan 0.000 0.466 231 I N 1.118 121.697 120.570 0.014 0.000 2.286 231 I HA -0.231 3.940 4.170 0.001 0.000 0.245 231 I C 2.383 178.527 176.117 0.045 0.000 1.104 231 I CA 0.966 62.196 61.300 -0.116 0.000 1.397 231 I CB -1.060 36.826 38.000 -0.191 0.000 1.072 231 I HN 0.277 nan 8.210 nan 0.000 0.417 232 L N -0.498 120.785 121.223 0.099 0.000 2.042 232 L HA -0.286 4.055 4.340 0.001 0.000 0.210 232 L C 2.745 179.692 176.870 0.129 0.000 1.076 232 L CA 1.623 56.534 54.840 0.118 0.000 0.749 232 L CB -0.928 41.215 42.059 0.140 0.000 0.893 232 L HN 0.170 nan 8.230 nan 0.000 0.432 233 Y N 0.381 120.680 120.300 -0.002 0.000 2.145 233 Y HA -0.256 4.295 4.550 0.001 0.000 0.286 233 Y C 2.457 178.344 175.900 -0.022 0.000 1.145 233 Y CA 1.763 59.753 58.100 -0.183 0.000 1.148 233 Y CB -0.275 37.982 38.460 -0.338 0.000 0.981 233 Y HN -0.169 nan 8.280 nan 0.000 0.507 234 V N 0.550 120.587 119.914 0.205 0.000 2.332 234 V HA -0.357 3.763 4.120 0.001 0.000 0.248 234 V C 2.458 178.669 176.094 0.195 0.000 1.055 234 V CA 2.126 64.563 62.300 0.228 0.000 1.038 234 V CB -0.843 31.094 31.823 0.190 0.000 0.651 234 V HN 0.455 nan 8.190 nan 0.000 0.450 235 L N -1.327 119.984 121.223 0.147 0.000 2.017 235 L HA -0.234 4.107 4.340 0.001 0.000 0.208 235 L C 2.486 179.354 176.870 -0.003 0.000 1.073 235 L CA 2.328 57.230 54.840 0.103 0.000 0.745 235 L CB -0.787 41.323 42.059 0.086 0.000 0.894 235 L HN 0.419 nan 8.230 nan 0.000 0.432 236 Y N 1.547 121.741 120.300 -0.177 0.000 2.097 236 Y HA -0.336 4.214 4.550 0.001 0.000 0.282 236 Y C 2.835 178.529 175.900 -0.343 0.000 1.152 236 Y CA 2.339 60.277 58.100 -0.271 0.000 1.136 236 Y CB -0.482 37.754 38.460 -0.374 0.000 0.975 236 Y HN 0.275 nan 8.280 nan 0.000 0.498 237 T N -2.420 111.972 114.554 -0.271 0.000 3.155 237 T HA -0.115 4.236 4.350 0.001 0.000 0.264 237 T C 0.489 174.811 174.700 -0.631 0.000 1.160 237 T CA 1.248 63.079 62.100 -0.448 0.000 1.075 237 T CB -0.403 68.127 68.868 -0.564 0.000 0.921 237 T HN 0.531 nan 8.240 nan 0.000 0.533 238 H N -0.373 118.532 119.070 -0.275 0.000 2.676 238 H HA 0.405 4.962 4.556 0.001 0.000 0.238 238 H C 1.625 176.652 175.328 -0.502 0.000 1.276 238 H CA -0.190 55.617 56.048 -0.402 0.000 0.983 238 H CB 0.462 30.104 29.762 -0.201 0.000 2.000 238 H HN 0.419 nan 8.280 nan 0.000 0.584 239 G N 0.803 109.355 108.800 -0.413 0.000 2.414 239 G HA2 -0.286 3.674 3.960 0.001 0.000 0.215 239 G HA3 -0.286 3.674 3.960 0.001 0.000 0.215 239 G C 1.478 176.215 174.900 -0.271 0.000 1.188 239 G CA 0.953 45.873 45.100 -0.300 0.000 0.783 239 G HN 0.573 nan 8.290 nan 0.000 0.537 240 H N 1.148 120.164 119.070 -0.090 0.000 2.505 240 H HA -0.209 4.348 4.556 0.001 0.000 0.295 240 H C 2.109 177.415 175.328 -0.036 0.000 1.121 240 H CA 1.813 57.823 56.048 -0.063 0.000 1.217 240 H CB -0.378 29.348 29.762 -0.061 0.000 1.357 240 H HN 0.585 nan 8.280 nan 0.000 0.533 241 R N 0.395 120.854 120.500 -0.069 0.000 2.316 241 R HA 0.271 4.611 4.340 0.001 0.000 0.201 241 R C 0.128 176.404 176.300 -0.040 0.000 0.888 241 R CA -0.149 55.974 56.100 0.038 0.000 1.041 241 R CB 0.267 30.614 30.300 0.079 0.000 1.115 241 R HN 0.215 nan 8.270 nan 0.000 0.559 242 L N 4.123 125.291 121.223 -0.092 0.000 2.349 242 L HA 0.378 4.718 4.340 0.001 0.000 0.275 242 L C -1.864 174.964 176.870 -0.069 0.000 1.115 242 L CA -2.339 52.448 54.840 -0.088 0.000 0.820 242 L CB 0.765 42.761 42.059 -0.105 0.000 1.135 242 L HN 0.040 nan 8.230 nan 0.000 0.445 243 P HA 0.100 nan 4.420 nan 0.000 0.271 243 P C -0.944 176.324 177.300 -0.053 0.000 1.216 243 P CA -0.465 62.605 63.100 -0.049 0.000 0.776 243 P CB 0.487 32.160 31.700 -0.045 0.000 0.881 244 R N 1.459 121.932 120.500 -0.045 0.000 2.502 244 R HA 0.438 4.779 4.340 0.001 0.000 0.292 244 R C 0.276 176.549 176.300 -0.045 0.000 0.998 244 R CA 0.425 56.496 56.100 -0.048 0.000 1.056 244 R CB -0.220 30.057 30.300 -0.038 0.000 0.939 244 R HN 0.635 nan 8.270 nan 0.000 0.411 245 A N 4.095 126.881 122.820 -0.056 0.000 2.590 245 A HA 0.440 4.760 4.320 0.001 0.000 0.296 245 A C -2.696 174.835 177.584 -0.088 0.000 1.050 245 A CA -1.451 50.556 52.037 -0.051 0.000 0.697 245 A CB 1.212 20.189 19.000 -0.039 0.000 1.277 245 A HN 0.534 nan 8.150 nan 0.000 0.411 246 P HA 0.540 nan 4.420 nan 0.000 0.275 246 P C -0.871 176.236 177.300 -0.322 0.000 1.228 246 P CA 0.090 63.017 63.100 -0.288 0.000 0.786 246 P CB 0.706 32.165 31.700 -0.401 0.000 0.927 247 I N 2.750 123.086 120.570 -0.390 0.000 2.382 247 I HA 0.243 4.414 4.170 0.001 0.000 0.285 247 I C -0.451 175.473 176.117 -0.322 0.000 1.007 247 I CA -0.838 60.320 61.300 -0.236 0.000 1.142 247 I CB 0.856 38.781 38.000 -0.125 0.000 1.289 247 I HN 0.250 nan 8.210 nan 0.000 0.453 248 Y N 6.294 126.570 120.300 -0.040 0.000 2.335 248 Y HA 0.343 4.893 4.550 0.001 0.000 0.339 248 Y C 0.019 175.886 175.900 -0.055 0.000 0.987 248 Y CA -0.759 57.317 58.100 -0.040 0.000 1.140 248 Y CB 1.343 39.782 38.460 -0.035 0.000 1.173 248 Y HN 0.407 nan 8.280 nan 0.000 0.486 249 L N 4.690 125.961 121.223 0.080 0.000 2.389 249 L HA 0.260 4.601 4.340 0.001 0.000 0.265 249 L C 0.058 176.954 176.870 0.043 0.000 1.167 249 L CA -0.153 54.704 54.840 0.028 0.000 1.045 249 L CB -0.373 41.684 42.059 -0.002 0.000 1.351 249 L HN 0.532 nan 8.230 nan 0.000 0.419 250 D N 1.868 122.292 120.400 0.041 0.000 2.767 250 D HA 0.104 4.744 4.640 0.001 0.000 0.231 250 D C -0.606 175.712 176.300 0.031 0.000 1.105 250 D CA 0.459 54.488 54.000 0.048 0.000 1.024 250 D CB -0.048 40.786 40.800 0.057 0.000 1.123 250 D HN 0.346 nan 8.370 nan 0.000 0.470 251 S N 1.354 117.061 115.700 0.011 0.000 2.614 251 S HA 0.349 4.820 4.470 0.001 0.000 0.259 251 S C -2.177 172.412 174.600 -0.018 0.000 1.118 251 S CA -1.090 57.111 58.200 0.002 0.000 1.065 251 S CB 1.459 64.660 63.200 0.002 0.000 1.121 251 S HN -0.070 nan 8.310 nan 0.000 0.458 252 P HA -0.123 nan 4.420 nan 0.000 0.215 252 P C 1.689 178.969 177.300 -0.033 0.000 1.157 252 P CA 1.005 64.076 63.100 -0.049 0.000 0.868 252 P CB 0.031 31.694 31.700 -0.061 0.000 0.788 253 M N 0.022 119.613 119.600 -0.015 0.000 2.073 253 M HA -0.179 4.302 4.480 0.001 0.000 0.258 253 M C 1.975 178.258 176.300 -0.028 0.000 1.070 253 M CA 2.358 57.653 55.300 -0.008 0.000 1.103 253 M CB -1.238 31.372 32.600 0.017 0.000 1.321 253 M HN -0.127 nan 8.290 nan 0.000 0.405 254 A N -0.260 122.542 122.820 -0.029 0.000 1.917 254 A HA -0.045 4.275 4.320 0.001 0.000 0.219 254 A C 2.392 179.919 177.584 -0.096 0.000 1.182 254 A CA 1.987 53.988 52.037 -0.060 0.000 0.633 254 A CB -1.943 17.030 19.000 -0.044 0.000 0.819 254 A HN 0.686 nan 8.150 nan 0.000 0.448 255 G N -0.733 108.026 108.800 -0.068 0.000 2.418 255 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 255 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 255 G C 1.730 176.586 174.900 -0.074 0.000 1.158 255 G CA 0.864 45.922 45.100 -0.069 0.000 0.771 255 G HN 0.573 nan 8.290 nan 0.000 0.545 256 R N -0.339 120.125 120.500 -0.058 0.000 2.152 256 R HA -0.007 4.334 4.340 0.001 0.000 0.232 256 R C 2.515 178.776 176.300 -0.064 0.000 1.117 256 R CA 0.940 57.012 56.100 -0.047 0.000 0.981 256 R CB -0.265 30.017 30.300 -0.030 0.000 0.870 256 R HN 0.347 nan 8.270 nan 0.000 0.451 257 V N 0.810 120.659 119.914 -0.108 0.000 2.446 257 V HA -0.157 3.964 4.120 0.001 0.000 0.244 257 V C 2.050 177.949 176.094 -0.326 0.000 1.039 257 V CA 0.969 63.171 62.300 -0.163 0.000 1.045 257 V CB -0.288 31.424 31.823 -0.185 0.000 0.681 257 V HN 0.207 nan 8.190 nan 0.000 0.459 258 L N 0.427 121.437 121.223 -0.355 0.000 2.042 258 L HA -0.144 4.196 4.340 0.001 0.000 0.210 258 L C 2.465 179.237 176.870 -0.163 0.000 1.076 258 L CA 2.208 56.809 54.840 -0.398 0.000 0.749 258 L CB -0.767 41.154 42.059 -0.230 0.000 0.893 258 L HN 0.266 nan 8.230 nan 0.000 0.432 259 S N -0.526 115.126 115.700 -0.079 0.000 2.400 259 S HA -0.162 4.309 4.470 0.001 0.000 0.232 259 S C 1.761 176.384 174.600 0.037 0.000 1.025 259 S CA 1.563 59.760 58.200 -0.005 0.000 0.993 259 S CB -0.498 62.698 63.200 -0.007 0.000 0.808 259 S HN 0.484 nan 8.310 nan 0.000 0.478 260 L N 0.195 121.441 121.223 0.039 0.000 2.270 260 L HA 0.189 4.529 4.340 0.001 0.000 0.210 260 L C 1.658 178.649 176.870 0.202 0.000 1.104 260 L CA 1.210 56.106 54.840 0.093 0.000 0.804 260 L CB -0.592 41.510 42.059 0.072 0.000 0.937 260 L HN 0.322 nan 8.230 nan 0.000 0.450 261 Y N 0.449 120.732 120.300 -0.028 0.000 2.193 261 Y HA -0.234 4.316 4.550 0.001 0.000 0.285 261 Y C -0.287 175.668 175.900 0.092 0.000 1.166 261 Y CA 1.031 59.144 58.100 0.023 0.000 1.181 261 Y CB -1.298 37.010 38.460 -0.255 0.000 0.976 261 Y HN 0.321 nan 8.280 nan 0.000 0.520 262 P HA -0.138 nan 4.420 nan 0.000 0.222 262 P C 0.632 177.897 177.300 -0.058 0.000 1.147 262 P CA 1.555 64.703 63.100 0.080 0.000 0.790 262 P CB -0.013 31.817 31.700 0.217 0.000 0.780 263 R N -1.315 119.193 120.500 0.012 0.000 2.320 263 R HA 0.173 4.514 4.340 0.001 0.000 0.211 263 R C 0.327 176.622 176.300 -0.009 0.000 0.931 263 R CA 0.211 56.308 56.100 -0.006 0.000 1.071 263 R CB -0.047 30.260 30.300 0.012 0.000 1.025 263 R HN 0.130 nan 8.270 nan 0.000 0.495 264 L N -0.610 120.603 121.223 -0.017 0.000 3.333 264 L HA 0.074 4.415 4.340 0.001 0.000 0.299 264 L C 1.308 178.173 176.870 -0.009 0.000 1.256 264 L CA 0.318 55.159 54.840 0.002 0.000 1.037 264 L CB 0.957 42.889 42.059 -0.212 0.000 1.423 264 L HN -0.083 nan 8.230 nan 0.000 0.605 265 V N 1.004 120.877 119.914 -0.069 0.000 2.439 265 V HA -0.296 3.825 4.120 0.001 0.000 0.253 265 V C 2.453 178.543 176.094 -0.007 0.000 1.074 265 V CA 2.448 64.717 62.300 -0.053 0.000 1.076 265 V CB -0.304 31.241 31.823 -0.463 0.000 0.664 265 V HN 0.739 nan 8.190 nan 0.000 0.461 266 R N -1.749 118.678 120.500 -0.122 0.000 2.328 266 R HA -0.052 4.288 4.340 0.001 0.000 0.207 266 R C 1.607 177.667 176.300 -0.400 0.000 1.056 266 R CA 1.734 57.686 56.100 -0.246 0.000 1.016 266 R CB -0.711 29.387 30.300 -0.337 0.000 0.872 266 R HN 0.602 nan 8.270 nan 0.000 0.471 267 Y N -0.479 119.647 120.300 -0.291 0.000 2.462 267 Y HA 0.294 4.844 4.550 0.001 0.000 0.261 267 Y C 0.211 175.787 175.900 -0.539 0.000 1.146 267 Y CA -0.585 57.263 58.100 -0.421 0.000 1.283 267 Y CB 0.345 38.456 38.460 -0.583 0.000 1.090 267 Y HN -0.116 nan 8.280 nan 0.000 0.526 268 F N -0.422 119.535 119.950 0.012 0.000 2.403 268 F HA 0.345 4.872 4.527 0.001 0.000 0.326 268 F C 1.112 176.899 175.800 -0.021 0.000 1.099 268 F CA -1.538 56.458 58.000 -0.005 0.000 1.036 268 F CB 0.183 39.221 39.000 0.063 0.000 1.336 268 F HN -0.277 nan 8.300 nan 0.000 0.497 269 S N 0.022 115.843 115.700 0.203 0.000 2.596 269 S HA 0.087 4.557 4.470 0.001 0.000 0.260 269 S C 0.895 175.556 174.600 0.103 0.000 1.336 269 S CA -0.638 57.611 58.200 0.082 0.000 0.993 269 S CB 0.696 63.915 63.200 0.031 0.000 0.923 269 S HN 0.552 nan 8.310 nan 0.000 0.567 270 E N 1.130 121.367 120.200 0.062 0.000 2.038 270 E HA -0.216 4.134 4.350 0.001 0.000 0.195 270 E C 1.923 178.586 176.600 0.104 0.000 1.000 270 E CA 1.713 58.154 56.400 0.068 0.000 0.803 270 E CB -0.787 28.936 29.700 0.038 0.000 0.750 270 E HN 0.950 nan 8.360 nan 0.000 0.448 271 E N 0.729 120.991 120.200 0.103 0.000 2.147 271 E HA -0.193 4.158 4.350 0.001 0.000 0.199 271 E C 2.070 178.834 176.600 0.274 0.000 1.005 271 E CA 1.528 58.023 56.400 0.157 0.000 0.810 271 E CB 0.128 29.924 29.700 0.161 0.000 0.736 271 E HN 0.033 nan 8.360 nan 0.000 0.460 272 V N 0.882 120.922 119.914 0.210 0.000 2.379 272 V HA -0.229 3.892 4.120 0.001 0.000 0.245 272 V C 2.395 178.703 176.094 0.357 0.000 1.044 272 V CA 1.892 64.326 62.300 0.223 0.000 1.036 272 V CB -0.476 31.369 31.823 0.036 0.000 0.664 272 V HN 0.325 nan 8.190 nan 0.000 0.453 273 Q N -0.076 119.912 119.800 0.313 0.000 2.096 273 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 273 Q C 2.449 178.604 176.000 0.257 0.000 0.982 273 Q CA 1.794 57.782 55.803 0.309 0.000 0.850 273 Q CB -0.461 28.382 28.738 0.176 0.000 0.901 273 Q HN 0.667 nan 8.270 nan 0.000 0.422 274 A N 1.203 124.121 122.820 0.164 0.000 1.859 274 A HA -0.305 4.016 4.320 0.001 0.000 0.218 274 A C 1.641 179.262 177.584 0.061 0.000 1.209 274 A CA 2.182 54.260 52.037 0.068 0.000 0.639 274 A CB -1.293 17.698 19.000 -0.015 0.000 0.835 274 A HN 0.433 nan 8.150 nan 0.000 0.450 275 H N -1.832 117.268 119.070 0.049 0.000 2.292 275 H HA -0.221 4.335 4.556 0.001 0.000 0.292 275 H C 1.786 177.086 175.328 -0.047 0.000 1.100 275 H CA 2.579 58.601 56.048 -0.043 0.000 1.238 275 H CB -0.487 29.167 29.762 -0.179 0.000 1.355 275 H HN 0.510 nan 8.280 nan 0.000 0.484 276 F N -0.422 119.613 119.950 0.141 0.000 2.202 276 F HA -0.165 4.363 4.527 0.001 0.000 0.301 276 F C 2.315 178.159 175.800 0.072 0.000 1.082 276 F CA 0.864 58.922 58.000 0.097 0.000 1.313 276 F CB -0.443 38.624 39.000 0.111 0.000 1.024 276 F HN 0.106 nan 8.300 nan 0.000 0.495 277 L N -0.321 121.046 121.223 0.240 0.000 2.362 277 L HA -0.132 4.209 4.340 0.001 0.000 0.219 277 L C 1.840 178.763 176.870 0.090 0.000 1.134 277 L CA 1.403 56.327 54.840 0.140 0.000 0.807 277 L CB -0.410 41.707 42.059 0.095 0.000 0.927 277 L HN 0.060 nan 8.230 nan 0.000 0.447 278 Q N -0.838 119.006 119.800 0.072 0.000 2.280 278 Q HA 0.276 4.616 4.340 0.001 0.000 0.201 278 Q C 1.534 177.567 176.000 0.056 0.000 0.890 278 Q CA 0.659 56.488 55.803 0.042 0.000 0.947 278 Q CB 0.536 29.280 28.738 0.011 0.000 1.081 278 Q HN 0.519 nan 8.270 nan 0.000 0.502 279 G N 1.246 110.097 108.800 0.085 0.000 2.217 279 G HA2 -0.269 3.692 3.960 0.001 0.000 0.246 279 G HA3 -0.269 3.692 3.960 0.001 0.000 0.246 279 G C 0.159 175.095 174.900 0.062 0.000 0.990 279 G CA 0.122 45.273 45.100 0.086 0.000 0.627 279 G HN 0.336 nan 8.290 nan 0.000 0.522 280 K N 0.448 120.859 120.400 0.018 0.000 2.098 280 K HA 0.482 4.803 4.320 0.001 0.000 0.261 280 K C -0.546 175.866 176.600 -0.313 0.000 0.987 280 K CA -0.836 55.422 56.287 -0.049 0.000 0.916 280 K CB 0.929 33.462 32.500 0.055 0.000 1.039 280 K HN 0.084 nan 8.250 nan 0.000 0.455 281 N N 2.960 121.440 118.700 -0.366 0.000 2.485 281 N HA 0.118 4.859 4.740 0.001 0.000 0.243 281 N C -1.905 173.077 175.510 -0.881 0.000 0.987 281 N CA -2.224 50.453 53.050 -0.621 0.000 0.940 281 N CB 1.084 39.465 38.487 -0.177 0.000 1.122 281 N HN 0.326 nan 8.380 nan 0.000 0.509 282 P HA -0.003 nan 4.420 nan 0.000 0.237 282 P C 0.325 176.874 177.300 -1.252 0.000 1.178 282 P CA 0.595 62.602 63.100 -1.822 0.000 0.766 282 P CB -0.058 30.825 31.700 -1.361 0.000 0.876 283 F N 0.220 119.872 119.950 -0.496 0.000 2.692 283 F HA 0.257 4.784 4.527 0.001 0.000 0.303 283 F C 1.247 176.967 175.800 -0.133 0.000 1.114 283 F CA 0.036 57.931 58.000 -0.175 0.000 1.361 283 F CB 0.131 39.101 39.000 -0.050 0.000 1.063 283 F HN -0.282 nan 8.300 nan 0.000 0.550 284 R N 1.314 121.785 120.500 -0.048 0.000 2.585 284 R HA 0.222 4.563 4.340 0.001 0.000 0.278 284 R C -2.619 173.781 176.300 0.166 0.000 1.663 284 R CA -1.581 54.553 56.100 0.057 0.000 1.592 284 R CB 0.610 30.931 30.300 0.035 0.000 1.200 284 R HN -0.082 nan 8.270 nan 0.000 0.611 285 P HA -0.010 nan 4.420 nan 0.000 0.269 285 P C -0.209 177.101 177.300 0.016 0.000 1.217 285 P CA -0.116 63.047 63.100 0.105 0.000 0.783 285 P CB 0.782 32.505 31.700 0.038 0.000 0.898 286 A N 1.213 124.008 122.820 -0.042 0.000 2.511 286 A HA 0.422 4.742 4.320 0.001 0.000 0.242 286 A C 1.463 179.004 177.584 -0.072 0.000 1.069 286 A CA 0.661 52.666 52.037 -0.054 0.000 0.763 286 A CB -1.352 17.603 19.000 -0.076 0.000 1.001 286 A HN 0.938 nan 8.150 nan 0.000 0.498 287 G N 0.503 109.256 108.800 -0.078 0.000 2.157 287 G HA2 -0.109 3.852 3.960 0.001 0.000 0.248 287 G HA3 -0.109 3.852 3.960 0.001 0.000 0.248 287 G C 0.140 174.938 174.900 -0.169 0.000 0.979 287 G CA 0.266 45.293 45.100 -0.120 0.000 0.650 287 G HN 1.659 nan 8.290 nan 0.000 0.529 288 L N 0.482 121.636 121.223 -0.116 0.000 2.483 288 L HA 0.747 5.087 4.340 0.001 0.000 0.275 288 L C 0.100 176.888 176.870 -0.137 0.000 1.220 288 L CA 0.106 54.875 54.840 -0.118 0.000 0.833 288 L CB 1.099 43.129 42.059 -0.048 0.000 1.102 288 L HN 0.284 nan 8.230 nan 0.000 0.490 289 E N 2.109 122.222 120.200 -0.144 0.000 2.354 289 E HA 0.497 4.848 4.350 0.001 0.000 0.283 289 E C -1.835 174.764 176.600 -0.002 0.000 0.938 289 E CA -0.447 55.902 56.400 -0.086 0.000 0.777 289 E CB 1.863 31.454 29.700 -0.182 0.000 1.222 289 E HN 0.345 nan 8.360 nan 0.000 0.423 290 V N 4.022 123.951 119.914 0.024 0.000 2.334 290 V HA 0.374 4.494 4.120 0.001 0.000 0.281 290 V C -0.447 175.672 176.094 0.041 0.000 1.016 290 V CA -0.833 61.482 62.300 0.025 0.000 0.832 290 V CB 1.548 33.367 31.823 -0.007 0.000 0.999 290 V HN 0.559 nan 8.190 nan 0.000 0.439 291 V N 5.433 125.385 119.914 0.063 0.000 2.408 291 V HA 0.277 4.397 4.120 0.001 0.000 0.267 291 V C 1.103 177.171 176.094 -0.044 0.000 1.047 291 V CA -0.245 62.081 62.300 0.042 0.000 0.937 291 V CB 1.092 32.957 31.823 0.070 0.000 0.999 291 V HN 0.870 nan 8.190 nan 0.000 0.472 292 E N 2.742 122.868 120.200 -0.124 0.000 2.190 292 E HA 0.064 4.415 4.350 0.001 0.000 0.191 292 E C 0.197 176.460 176.600 -0.562 0.000 0.978 292 E CA 0.881 57.061 56.400 -0.366 0.000 0.839 292 E CB 0.306 29.701 29.700 -0.508 0.000 0.787 292 E HN 0.863 nan 8.360 nan 0.000 0.473 293 H N -1.619 117.454 119.070 0.005 0.000 2.855 293 H HA 0.271 4.828 4.556 0.001 0.000 0.363 293 H C 1.043 176.355 175.328 -0.028 0.000 1.185 293 H CA -0.371 55.671 56.048 -0.010 0.000 1.174 293 H CB 1.335 31.090 29.762 -0.012 0.000 1.857 293 H HN -0.266 nan 8.280 nan 0.000 0.565 294 T N 0.407 115.021 114.554 0.099 0.000 2.622 294 T HA -0.188 4.163 4.350 0.001 0.000 0.266 294 T C 1.384 176.061 174.700 -0.037 0.000 1.047 294 T CA 1.983 64.075 62.100 -0.015 0.000 1.159 294 T CB -0.259 68.582 68.868 -0.045 0.000 0.863 294 T HN 0.577 nan 8.240 nan 0.000 0.422 295 E N 1.820 122.012 120.200 -0.013 0.000 2.108 295 E HA -0.163 4.188 4.350 0.001 0.000 0.203 295 E C 2.287 178.867 176.600 -0.033 0.000 1.022 295 E CA 1.557 57.939 56.400 -0.030 0.000 0.823 295 E CB -0.681 29.007 29.700 -0.019 0.000 0.744 295 E HN 0.563 nan 8.360 nan 0.000 0.456 296 A N 0.097 122.916 122.820 -0.003 0.000 2.016 296 A HA -0.072 4.249 4.320 0.001 0.000 0.217 296 A C 2.242 179.794 177.584 -0.054 0.000 1.162 296 A CA 1.389 53.415 52.037 -0.020 0.000 0.662 296 A CB -0.466 18.546 19.000 0.019 0.000 0.812 296 A HN 0.225 nan 8.150 nan 0.000 0.450 297 S N -0.541 115.134 115.700 -0.043 0.000 2.355 297 S HA -0.151 4.320 4.470 0.001 0.000 0.222 297 S C 2.113 176.637 174.600 -0.127 0.000 1.031 297 S CA 1.850 60.025 58.200 -0.043 0.000 0.993 297 S CB -0.235 62.947 63.200 -0.030 0.000 0.859 297 S HN 0.420 nan 8.310 nan 0.000 0.453 298 K N 1.736 122.042 120.400 -0.156 0.000 2.009 298 K HA 0.097 4.418 4.320 0.001 0.000 0.210 298 K C 2.229 178.741 176.600 -0.148 0.000 1.049 298 K CA 1.499 57.684 56.287 -0.170 0.000 0.929 298 K CB -1.087 31.328 32.500 -0.141 0.000 0.714 298 K HN 0.392 nan 8.250 nan 0.000 0.440 299 A N 0.673 123.422 122.820 -0.118 0.000 1.958 299 A HA -0.217 4.104 4.320 0.001 0.000 0.221 299 A C 2.106 179.614 177.584 -0.127 0.000 1.178 299 A CA 1.754 53.725 52.037 -0.111 0.000 0.642 299 A CB -0.861 18.087 19.000 -0.086 0.000 0.816 299 A HN 0.296 nan 8.150 nan 0.000 0.453 300 L N -0.286 120.849 121.223 -0.146 0.000 2.265 300 L HA -0.190 4.151 4.340 0.001 0.000 0.215 300 L C 1.994 178.819 176.870 -0.075 0.000 1.117 300 L CA 0.882 55.629 54.840 -0.156 0.000 0.782 300 L CB -0.602 41.352 42.059 -0.175 0.000 0.914 300 L HN 0.436 nan 8.230 nan 0.000 0.441 301 N N 0.383 119.025 118.700 -0.096 0.000 2.216 301 N HA -0.110 4.631 4.740 0.001 0.000 0.183 301 N C 1.789 177.230 175.510 -0.115 0.000 1.017 301 N CA 1.050 54.052 53.050 -0.080 0.000 0.861 301 N CB -0.160 38.233 38.487 -0.158 0.000 0.986 301 N HN 0.375 nan 8.380 nan 0.000 0.428 302 R N 0.573 120.984 120.500 -0.147 0.000 2.240 302 R HA 0.236 4.576 4.340 0.001 0.000 0.203 302 R C 0.646 176.902 176.300 -0.072 0.000 1.011 302 R CA 0.110 56.136 56.100 -0.124 0.000 1.007 302 R CB 0.101 30.325 30.300 -0.127 0.000 0.911 302 R HN 0.073 nan 8.270 nan 0.000 0.468 303 A N 3.142 125.924 122.820 -0.065 0.000 2.371 303 A HA 0.329 4.650 4.320 0.001 0.000 0.257 303 A C -2.104 175.468 177.584 -0.019 0.000 1.089 303 A CA -1.385 50.628 52.037 -0.041 0.000 0.794 303 A CB 0.088 19.057 19.000 -0.051 0.000 1.029 303 A HN -0.033 nan 8.150 nan 0.000 0.488 304 P HA 0.315 nan 4.420 nan 0.000 0.281 304 P C 0.425 177.735 177.300 0.018 0.000 1.249 304 P CA 0.041 63.144 63.100 0.005 0.000 0.810 304 P CB 1.122 32.824 31.700 0.004 0.000 1.008 305 G N 2.025 110.836 108.800 0.019 0.000 2.570 305 G HA2 0.341 4.302 3.960 0.001 0.000 0.276 305 G HA3 0.341 4.302 3.960 0.001 0.000 0.276 305 G C -2.174 172.739 174.900 0.022 0.000 1.346 305 G CA -0.989 44.127 45.100 0.026 0.000 1.034 305 G HN 0.447 nan 8.290 nan 0.000 0.512 306 P HA 0.363 nan 4.420 nan 0.000 0.274 306 P C -0.417 176.906 177.300 0.039 0.000 1.237 306 P CA 0.085 63.192 63.100 0.012 0.000 0.793 306 P CB 1.239 32.935 31.700 -0.007 0.000 0.977 307 M N -1.148 118.473 119.600 0.036 0.000 2.751 307 M HA 0.367 4.848 4.480 0.001 0.000 0.276 307 M C -2.267 174.059 176.300 0.044 0.000 1.002 307 M CA -0.888 54.462 55.300 0.083 0.000 0.828 307 M CB 1.045 33.761 32.600 0.193 0.000 1.752 307 M HN -0.078 nan 8.290 nan 0.000 0.556 308 V N 2.362 122.302 119.914 0.043 0.000 2.459 308 V HA 0.817 4.938 4.120 0.001 0.000 0.295 308 V C -0.631 175.487 176.094 0.040 0.000 1.029 308 V CA -0.646 61.653 62.300 -0.002 0.000 0.874 308 V CB 1.785 33.588 31.823 -0.032 0.000 0.985 308 V HN 0.698 nan 8.190 nan 0.000 0.438 309 V N 6.024 125.921 119.914 -0.028 0.000 2.531 309 V HA 0.539 4.660 4.120 0.001 0.000 0.301 309 V C -0.754 175.259 176.094 -0.134 0.000 1.034 309 V CA -0.526 61.721 62.300 -0.089 0.000 0.865 309 V CB 1.771 33.428 31.823 -0.277 0.000 0.995 309 V HN 0.630 nan 8.190 nan 0.000 0.424 310 L N 4.434 125.596 121.223 -0.101 0.000 2.333 310 L HA 0.959 5.300 4.340 0.001 0.000 0.280 310 L C 0.109 176.921 176.870 -0.097 0.000 1.004 310 L CA 0.146 54.931 54.840 -0.092 0.000 0.820 310 L CB 1.750 43.779 42.059 -0.050 0.000 1.247 310 L HN 0.894 nan 8.230 nan 0.000 0.416 311 A N 1.828 124.590 122.820 -0.097 0.000 2.586 311 A HA 0.916 5.237 4.320 0.001 0.000 0.290 311 A C -0.674 176.892 177.584 -0.030 0.000 1.086 311 A CA -0.016 51.994 52.037 -0.044 0.000 0.665 311 A CB 1.140 20.125 19.000 -0.025 0.000 1.279 311 A HN 0.712 nan 8.150 nan 0.000 0.423 312 G N -0.355 108.451 108.800 0.011 0.000 3.016 312 G HA2 0.659 4.619 3.960 0.001 0.000 0.270 312 G HA3 0.659 4.619 3.960 0.001 0.000 0.270 312 G C 0.194 175.126 174.900 0.054 0.000 1.352 312 G CA 0.239 45.342 45.100 0.005 0.000 1.060 312 G HN 1.759 nan 8.290 nan 0.000 0.538 313 S N -1.145 114.591 115.700 0.060 0.000 2.584 313 S HA 0.347 4.818 4.470 0.001 0.000 0.270 313 S C 1.692 176.254 174.600 -0.064 0.000 1.346 313 S CA 0.290 58.517 58.200 0.045 0.000 1.018 313 S CB 1.166 64.429 63.200 0.106 0.000 0.899 313 S HN 1.232 nan 8.310 nan 0.000 0.542 314 G N 0.176 108.821 108.800 -0.257 0.000 2.462 314 G HA2 -0.099 3.862 3.960 0.001 0.000 0.220 314 G HA3 -0.099 3.862 3.960 0.001 0.000 0.220 314 G C 0.749 175.408 174.900 -0.403 0.000 1.121 314 G CA 0.432 45.060 45.100 -0.787 0.000 0.758 314 G HN 0.683 nan 8.290 nan 0.000 0.559 315 M N 0.597 120.159 119.600 -0.064 0.000 2.959 315 M HA 0.379 4.860 4.480 0.001 0.000 0.337 315 M C 0.398 176.764 176.300 0.110 0.000 1.220 315 M CA -0.233 55.123 55.300 0.094 0.000 0.893 315 M CB 0.489 33.218 32.600 0.216 0.000 1.322 315 M HN 0.043 nan 8.290 nan 0.000 0.519 316 L N -1.257 120.025 121.223 0.098 0.000 4.436 316 L HA -0.375 3.966 4.340 0.001 0.000 0.436 316 L C 1.768 178.690 176.870 0.086 0.000 1.128 316 L CA 0.593 55.494 54.840 0.101 0.000 0.973 316 L CB -1.987 40.155 42.059 0.139 0.000 1.899 316 L HN 0.591 nan 8.230 nan 0.000 1.002 317 A N -0.400 122.476 122.820 0.094 0.000 2.070 317 A HA 0.354 4.674 4.320 0.001 0.000 0.220 317 A C 1.348 178.977 177.584 0.076 0.000 1.159 317 A CA 1.909 53.999 52.037 0.088 0.000 0.656 317 A CB -0.160 18.904 19.000 0.108 0.000 0.800 317 A HN 0.886 nan 8.150 nan 0.000 0.453 318 G N -4.386 104.461 108.800 0.078 0.000 2.325 318 G HA2 0.579 4.540 3.960 0.001 0.000 0.295 318 G HA3 0.579 4.540 3.960 0.001 0.000 0.295 318 G C 0.142 175.097 174.900 0.092 0.000 1.274 318 G CA 0.232 45.377 45.100 0.075 0.000 0.857 318 G HN 1.970 nan 8.290 nan 0.000 0.499 319 G N -1.145 107.722 108.800 0.112 0.000 2.795 319 G HA2 -0.031 3.929 3.960 0.001 0.000 0.664 319 G HA3 -0.031 3.929 3.960 0.001 0.000 0.664 319 G C 0.846 175.865 174.900 0.199 0.000 1.381 319 G CA 0.586 45.767 45.100 0.135 0.000 0.853 319 G HN 1.089 nan 8.290 nan 0.000 0.545 320 R N -0.543 120.077 120.500 0.200 0.000 2.133 320 R HA -0.199 4.141 4.340 0.001 0.000 0.247 320 R C 2.654 179.170 176.300 0.361 0.000 1.151 320 R CA 1.894 58.152 56.100 0.263 0.000 0.971 320 R CB -0.337 30.083 30.300 0.201 0.000 0.866 320 R HN 0.585 nan 8.270 nan 0.000 0.447 321 I N 1.137 121.871 120.570 0.273 0.000 2.423 321 I HA -0.221 3.949 4.170 0.001 0.000 0.254 321 I C 1.748 177.974 176.117 0.181 0.000 1.151 321 I CA 1.352 62.805 61.300 0.254 0.000 1.421 321 I CB -0.006 38.048 38.000 0.089 0.000 1.079 321 I HN 0.134 nan 8.210 nan 0.000 0.431 322 L N -0.609 120.677 121.223 0.104 0.000 2.093 322 L HA -0.200 4.141 4.340 0.001 0.000 0.208 322 L C 2.480 179.274 176.870 -0.128 0.000 1.085 322 L CA 1.111 55.930 54.840 -0.035 0.000 0.755 322 L CB -1.123 40.867 42.059 -0.115 0.000 0.904 322 L HN 0.362 nan 8.230 nan 0.000 0.435 323 H N -1.084 117.963 119.070 -0.039 0.000 2.457 323 H HA -0.097 4.459 4.556 0.001 0.000 0.294 323 H C 2.116 177.367 175.328 -0.128 0.000 1.064 323 H CA 1.135 57.123 56.048 -0.100 0.000 1.330 323 H CB 0.059 29.735 29.762 -0.144 0.000 1.395 323 H HN 0.492 nan 8.280 nan 0.000 0.541 324 H N -0.198 118.949 119.070 0.128 0.000 2.436 324 H HA -0.056 4.501 4.556 0.001 0.000 0.294 324 H C 2.207 177.551 175.328 0.026 0.000 1.048 324 H CA 0.348 56.443 56.048 0.078 0.000 1.353 324 H CB 0.260 30.043 29.762 0.036 0.000 1.414 324 H HN 0.167 nan 8.280 nan 0.000 0.536 325 L N 1.324 122.600 121.223 0.089 0.000 2.044 325 L HA -0.103 4.237 4.340 0.001 0.000 0.205 325 L C 2.575 179.414 176.870 -0.052 0.000 1.075 325 L CA 1.415 56.263 54.840 0.014 0.000 0.747 325 L CB -0.787 41.272 42.059 -0.001 0.000 0.903 325 L HN 0.102 nan 8.230 nan 0.000 0.435 326 K N -1.336 118.979 120.400 -0.142 0.000 2.074 326 K HA -0.218 4.103 4.320 0.001 0.000 0.209 326 K C 1.833 178.209 176.600 -0.373 0.000 1.048 326 K CA 1.598 57.705 56.287 -0.299 0.000 0.926 326 K CB -0.020 32.202 32.500 -0.463 0.000 0.713 326 K HN 0.449 nan 8.250 nan 0.000 0.444 327 H N -2.547 116.516 119.070 -0.011 0.000 2.648 327 H HA 0.145 4.702 4.556 0.001 0.000 0.265 327 H C 1.665 176.997 175.328 0.005 0.000 0.961 327 H CA 0.887 56.932 56.048 -0.006 0.000 1.185 327 H CB 0.994 30.748 29.762 -0.013 0.000 1.449 327 H HN 0.394 nan 8.280 nan 0.000 0.523 328 G N 0.338 109.194 108.800 0.093 0.000 2.762 328 G HA2 -0.026 3.934 3.960 0.001 0.000 0.209 328 G HA3 -0.026 3.934 3.960 0.001 0.000 0.209 328 G C 1.491 176.410 174.900 0.031 0.000 1.134 328 G CA -0.125 45.016 45.100 0.068 0.000 0.781 328 G HN 0.077 nan 8.290 nan 0.000 0.528 329 L N 2.466 123.696 121.223 0.012 0.000 2.141 329 L HA -0.022 4.318 4.340 0.001 0.000 0.209 329 L C 2.995 179.868 176.870 0.005 0.000 1.094 329 L CA 1.915 56.756 54.840 0.002 0.000 0.763 329 L CB -0.872 41.182 42.059 -0.008 0.000 0.908 329 L HN 0.387 nan 8.230 nan 0.000 0.437 330 S N -1.984 113.720 115.700 0.008 0.000 2.481 330 S HA -0.072 4.399 4.470 0.001 0.000 0.231 330 S C 0.853 175.462 174.600 0.015 0.000 0.996 330 S CA 0.091 58.297 58.200 0.011 0.000 0.942 330 S CB -0.239 62.969 63.200 0.014 0.000 0.768 330 S HN 0.410 nan 8.310 nan 0.000 0.520 331 D N 2.341 122.752 120.400 0.019 0.000 2.233 331 D HA 0.304 4.944 4.640 0.001 0.000 0.240 331 D C -1.849 174.459 176.300 0.014 0.000 1.074 331 D CA -2.472 51.538 54.000 0.017 0.000 0.838 331 D CB 2.052 42.865 40.800 0.021 0.000 1.124 331 D HN 0.001 nan 8.370 nan 0.000 0.475 332 P HA 0.003 nan 4.420 nan 0.000 0.237 332 P C 0.942 178.250 177.300 0.013 0.000 1.178 332 P CA 0.281 63.388 63.100 0.011 0.000 0.766 332 P CB 0.567 32.273 31.700 0.009 0.000 0.876 333 R N -0.676 119.830 120.500 0.011 0.000 2.115 333 R HA 0.024 4.364 4.340 0.001 0.000 0.226 333 R C 0.906 177.210 176.300 0.008 0.000 1.100 333 R CA 0.459 56.564 56.100 0.008 0.000 0.980 333 R CB -0.279 30.024 30.300 0.006 0.000 0.875 333 R HN 0.285 nan 8.270 nan 0.000 0.445 334 N N 0.410 119.117 118.700 0.010 0.000 2.317 334 N HA 0.282 5.022 4.740 0.001 0.000 0.245 334 N C -0.682 174.839 175.510 0.018 0.000 1.294 334 N CA 0.207 53.262 53.050 0.008 0.000 0.924 334 N CB 0.840 39.333 38.487 0.011 0.000 1.186 334 N HN 0.105 nan 8.380 nan 0.000 0.495 335 A N 0.229 123.056 122.820 0.012 0.000 2.488 335 A HA 0.475 4.795 4.320 0.001 0.000 0.298 335 A C -1.205 176.383 177.584 0.008 0.000 1.044 335 A CA -0.643 51.425 52.037 0.053 0.000 0.693 335 A CB 0.990 20.029 19.000 0.066 0.000 1.272 335 A HN 0.568 nan 8.150 nan 0.000 0.402 336 L N 3.359 124.588 121.223 0.010 0.000 2.265 336 L HA 0.622 4.962 4.340 0.001 0.000 0.289 336 L C -1.274 175.538 176.870 -0.097 0.000 1.033 336 L CA -0.651 54.109 54.840 -0.134 0.000 0.814 336 L CB 1.227 43.161 42.059 -0.209 0.000 1.203 336 L HN 0.481 nan 8.230 nan 0.000 0.423 337 V N 5.760 125.580 119.914 -0.158 0.000 2.334 337 V HA 0.305 4.426 4.120 0.001 0.000 0.281 337 V C -0.251 175.776 176.094 -0.111 0.000 1.016 337 V CA -0.442 61.837 62.300 -0.035 0.000 0.832 337 V CB 1.187 33.014 31.823 0.007 0.000 0.999 337 V HN 0.442 nan 8.190 nan 0.000 0.439 338 F N 4.157 124.172 119.950 0.108 0.000 2.412 338 F HA 0.380 4.908 4.527 0.001 0.000 0.348 338 F C 0.871 176.704 175.800 0.056 0.000 1.102 338 F CA -0.332 57.704 58.000 0.060 0.000 1.196 338 F CB 1.696 40.740 39.000 0.074 0.000 1.144 338 F HN 0.381 nan 8.300 nan 0.000 0.541 339 V N 0.718 120.744 119.914 0.186 0.000 2.915 339 V HA 0.804 4.925 4.120 0.001 0.000 0.364 339 V C 0.074 176.238 176.094 0.117 0.000 1.354 339 V CA 0.046 62.394 62.300 0.080 0.000 1.213 339 V CB -0.095 31.564 31.823 -0.273 0.000 1.268 339 V HN 0.854 nan 8.190 nan 0.000 0.557 340 G N -0.958 107.912 108.800 0.117 0.000 2.655 340 G HA2 0.481 4.442 3.960 0.001 0.000 0.296 340 G HA3 0.481 4.442 3.960 0.001 0.000 0.296 340 G C -1.540 173.404 174.900 0.073 0.000 1.485 340 G CA -0.773 44.389 45.100 0.104 0.000 0.869 340 G HN 0.082 nan 8.290 nan 0.000 0.540 341 Y N 1.168 121.621 120.300 0.257 0.000 2.610 341 Y HA 0.258 4.809 4.550 0.001 0.000 0.332 341 Y C 1.084 177.039 175.900 0.091 0.000 1.201 341 Y CA 0.070 58.274 58.100 0.174 0.000 1.465 341 Y CB 0.708 39.334 38.460 0.275 0.000 1.283 341 Y HN 0.222 nan 8.280 nan 0.000 0.563 342 Q N 5.290 125.138 119.800 0.080 0.000 2.257 342 Q HA 0.316 4.657 4.340 0.001 0.000 0.255 342 Q C -2.275 173.745 176.000 0.032 0.000 0.920 342 Q CA -2.128 53.651 55.803 -0.042 0.000 0.927 342 Q CB 1.162 29.684 28.738 -0.361 0.000 1.229 342 Q HN 0.459 nan 8.270 nan 0.000 0.433 343 P HA -0.002 nan 4.420 nan 0.000 0.271 343 P C -0.283 177.026 177.300 0.016 0.000 1.216 343 P CA -0.350 62.778 63.100 0.047 0.000 0.776 343 P CB 0.693 32.431 31.700 0.064 0.000 0.881 344 Q N 1.504 121.308 119.800 0.007 0.000 2.395 344 Q HA 0.198 4.539 4.340 0.001 0.000 0.271 344 Q C 0.853 176.857 176.000 0.007 0.000 1.026 344 Q CA 0.573 56.377 55.803 0.001 0.000 0.900 344 Q CB -0.360 28.375 28.738 -0.004 0.000 1.266 344 Q HN 0.900 nan 8.270 nan 0.000 0.430 345 G N 0.878 109.682 108.800 0.007 0.000 2.176 345 G HA2 -0.195 3.766 3.960 0.001 0.000 0.253 345 G HA3 -0.195 3.766 3.960 0.001 0.000 0.253 345 G C 0.301 175.212 174.900 0.018 0.000 0.979 345 G CA 0.093 45.200 45.100 0.012 0.000 0.641 345 G HN 1.095 nan 8.290 nan 0.000 0.530 346 G N -1.277 107.535 108.800 0.019 0.000 2.552 346 G HA2 0.656 4.617 3.960 0.001 0.000 0.324 346 G HA3 0.656 4.617 3.960 0.001 0.000 0.324 346 G C 0.966 175.884 174.900 0.029 0.000 1.217 346 G CA -0.007 45.110 45.100 0.029 0.000 0.989 346 G HN 0.861 nan 8.290 nan 0.000 0.490 347 L N 0.944 122.193 121.223 0.043 0.000 2.081 347 L HA 0.016 4.357 4.340 0.001 0.000 0.212 347 L C 2.555 179.469 176.870 0.075 0.000 1.080 347 L CA 2.995 57.868 54.840 0.055 0.000 0.754 347 L CB -0.802 41.295 42.059 0.063 0.000 0.893 347 L HN 0.597 nan 8.230 nan 0.000 0.433 348 G N -1.244 107.594 108.800 0.065 0.000 2.404 348 G HA2 -0.203 3.757 3.960 0.001 0.000 0.215 348 G HA3 -0.203 3.757 3.960 0.001 0.000 0.215 348 G C 1.600 176.463 174.900 -0.062 0.000 1.174 348 G CA 0.764 45.879 45.100 0.025 0.000 0.780 348 G HN 0.645 nan 8.290 nan 0.000 0.537 349 A N 0.678 123.460 122.820 -0.063 0.000 1.933 349 A HA -0.036 4.285 4.320 0.001 0.000 0.218 349 A C 2.135 179.720 177.584 0.002 0.000 1.175 349 A CA 2.037 54.048 52.037 -0.042 0.000 0.628 349 A CB -0.479 18.508 19.000 -0.022 0.000 0.814 349 A HN 0.497 nan 8.150 nan 0.000 0.444 350 E N -0.083 120.127 120.200 0.018 0.000 2.058 350 E HA -0.203 4.148 4.350 0.001 0.000 0.194 350 E C 1.837 178.463 176.600 0.043 0.000 0.997 350 E CA 1.541 57.958 56.400 0.028 0.000 0.801 350 E CB -0.250 29.468 29.700 0.029 0.000 0.746 350 E HN 0.663 nan 8.360 nan 0.000 0.450 351 I N 0.873 121.486 120.570 0.073 0.000 2.361 351 I HA -0.256 3.914 4.170 0.001 0.000 0.251 351 I C 2.304 178.481 176.117 0.101 0.000 1.133 351 I CA 0.749 62.110 61.300 0.101 0.000 1.413 351 I CB -0.139 37.966 38.000 0.174 0.000 1.073 351 I HN 0.238 nan 8.210 nan 0.000 0.424 352 I N 0.705 121.329 120.570 0.090 0.000 2.315 352 I HA -0.235 3.935 4.170 0.001 0.000 0.248 352 I C 2.752 178.896 176.117 0.046 0.000 1.117 352 I CA 1.089 62.434 61.300 0.075 0.000 1.404 352 I CB -0.430 37.591 38.000 0.035 0.000 1.071 352 I HN 0.165 nan 8.210 nan 0.000 0.419 353 A N 0.369 123.210 122.820 0.034 0.000 2.076 353 A HA -0.217 4.103 4.320 0.001 0.000 0.220 353 A C 1.596 179.194 177.584 0.024 0.000 1.160 353 A CA 1.223 53.275 52.037 0.025 0.000 0.653 353 A CB -0.343 18.669 19.000 0.020 0.000 0.801 353 A HN 0.506 nan 8.150 nan 0.000 0.455 354 R N -1.983 118.535 120.500 0.028 0.000 3.527 354 R HA -0.096 4.245 4.340 0.001 0.000 0.288 354 R C -2.249 174.061 176.300 0.016 0.000 1.146 354 R CA 0.688 56.801 56.100 0.022 0.000 0.778 354 R CB -2.542 27.767 30.300 0.015 0.000 1.289 354 R HN 0.509 nan 8.270 nan 0.000 0.454 355 P HA 0.053 nan 4.420 nan 0.000 0.272 355 P C -1.757 175.549 177.300 0.010 0.000 1.248 355 P CA -0.689 62.419 63.100 0.013 0.000 0.799 355 P CB 0.336 32.044 31.700 0.013 0.000 0.997 356 P HA -0.027 nan 4.420 nan 0.000 0.219 356 P C 0.337 177.640 177.300 0.005 0.000 1.150 356 P CA 1.477 64.581 63.100 0.006 0.000 0.814 356 P CB 0.165 31.868 31.700 0.004 0.000 0.787 357 A N -1.327 121.496 122.820 0.004 0.000 2.594 357 A HA 0.636 4.957 4.320 0.001 0.000 0.291 357 A C -1.208 176.378 177.584 0.002 0.000 1.105 357 A CA -0.487 51.550 52.037 0.001 0.000 0.694 357 A CB 1.720 20.719 19.000 -0.002 0.000 1.291 357 A HN -0.135 nan 8.150 nan 0.000 0.410 358 V N -0.074 119.839 119.914 -0.002 0.000 3.078 358 V HA 0.650 4.770 4.120 0.001 0.000 0.311 358 V C -0.125 175.962 176.094 -0.012 0.000 1.138 358 V CA -0.834 61.466 62.300 -0.001 0.000 1.007 358 V CB 2.039 33.867 31.823 0.008 0.000 1.045 358 V HN 0.954 nan 8.190 nan 0.000 0.432 359 R N 1.892 122.385 120.500 -0.012 0.000 2.295 359 R HA 0.769 5.109 4.340 0.001 0.000 0.324 359 R C -1.586 174.694 176.300 -0.033 0.000 0.968 359 R CA -0.357 55.730 56.100 -0.022 0.000 0.837 359 R CB 0.780 31.071 30.300 -0.015 0.000 1.133 359 R HN 0.748 nan 8.270 nan 0.000 0.450 360 I N 5.643 126.179 120.570 -0.057 0.000 2.534 360 I HA 0.184 4.355 4.170 0.001 0.000 0.288 360 I C -0.504 175.547 176.117 -0.111 0.000 1.077 360 I CA -1.072 60.179 61.300 -0.082 0.000 1.051 360 I CB 2.031 39.970 38.000 -0.101 0.000 1.234 360 I HN 0.588 nan 8.210 nan 0.000 0.425 361 L N 6.441 127.600 121.223 -0.108 0.000 3.762 361 L HA -0.200 4.140 4.340 0.001 0.000 0.460 361 L C 1.146 177.973 176.870 -0.072 0.000 1.255 361 L CA 1.395 56.168 54.840 -0.113 0.000 0.783 361 L CB -1.945 39.989 42.059 -0.209 0.000 1.600 361 L HN 1.114 nan 8.230 nan 0.000 0.862 362 G N -0.709 108.062 108.800 -0.048 0.000 2.221 362 G HA2 -0.196 3.764 3.960 0.001 0.000 0.265 362 G HA3 -0.196 3.764 3.960 0.001 0.000 0.265 362 G C 0.140 175.021 174.900 -0.032 0.000 1.041 362 G CA 0.639 45.721 45.100 -0.030 0.000 0.807 362 G HN 0.633 nan 8.290 nan 0.000 0.502 363 E N -0.963 119.210 120.200 -0.045 0.000 2.321 363 E HA 0.526 4.877 4.350 0.001 0.000 0.281 363 E C -0.742 175.832 176.600 -0.044 0.000 0.910 363 E CA -0.769 55.605 56.400 -0.044 0.000 0.770 363 E CB 1.067 30.730 29.700 -0.062 0.000 1.225 363 E HN 0.128 nan 8.360 nan 0.000 0.417 364 E N 1.539 121.722 120.200 -0.029 0.000 2.257 364 E HA 0.324 4.674 4.350 0.001 0.000 0.278 364 E C -1.098 175.484 176.600 -0.030 0.000 1.049 364 E CA -0.131 56.254 56.400 -0.025 0.000 0.876 364 E CB 0.883 30.575 29.700 -0.014 0.000 1.035 364 E HN 0.200 nan 8.360 nan 0.000 0.419 365 V N 7.694 127.588 119.914 -0.034 0.000 2.357 365 V HA 0.337 4.458 4.120 0.001 0.000 0.284 365 V C -2.170 173.912 176.094 -0.019 0.000 1.018 365 V CA -2.179 60.098 62.300 -0.037 0.000 0.841 365 V CB 1.572 33.360 31.823 -0.059 0.000 0.991 365 V HN 0.669 nan 8.190 nan 0.000 0.437 366 P HA 0.122 nan 4.420 nan 0.000 0.268 366 P C -0.678 176.621 177.300 -0.003 0.000 1.205 366 P CA -0.245 62.852 63.100 -0.004 0.000 0.771 366 P CB 0.547 32.247 31.700 -0.000 0.000 0.858 367 L N 4.692 125.916 121.223 0.001 0.000 2.321 367 L HA 0.298 4.638 4.340 0.001 0.000 0.272 367 L C 0.805 177.677 176.870 0.003 0.000 1.050 367 L CA 0.407 55.250 54.840 0.004 0.000 0.893 367 L CB -0.157 41.907 42.059 0.009 0.000 1.272 367 L HN 0.262 nan 8.230 nan 0.000 0.435 368 R N 2.900 123.402 120.500 0.003 0.000 2.316 368 R HA 0.443 4.783 4.340 0.001 0.000 0.201 368 R C 0.700 177.001 176.300 0.002 0.000 0.888 368 R CA 0.225 56.327 56.100 0.003 0.000 1.041 368 R CB 0.296 30.599 30.300 0.006 0.000 1.115 368 R HN 0.611 nan 8.270 nan 0.000 0.559 369 A N 2.108 124.930 122.820 0.003 0.000 2.445 369 A HA 0.209 4.529 4.320 0.001 0.000 0.242 369 A C 0.525 178.105 177.584 -0.008 0.000 1.075 369 A CA -0.193 51.847 52.037 0.004 0.000 0.777 369 A CB 0.314 19.317 19.000 0.004 0.000 1.013 369 A HN 0.336 nan 8.150 nan 0.000 0.493 370 S N 0.669 116.371 115.700 0.002 0.000 2.576 370 S HA 0.486 4.957 4.470 0.001 0.000 0.276 370 S C -0.222 174.301 174.600 -0.128 0.000 1.339 370 S CA -0.539 57.627 58.200 -0.056 0.000 1.039 370 S CB 0.835 64.061 63.200 0.043 0.000 0.902 370 S HN 0.841 nan 8.310 nan 0.000 0.516 371 V N 4.131 123.852 119.914 -0.322 0.000 2.656 371 V HA 0.529 4.649 4.120 0.001 0.000 0.307 371 V C -0.502 175.310 176.094 -0.470 0.000 1.051 371 V CA -0.663 61.504 62.300 -0.221 0.000 0.893 371 V CB 1.579 33.395 31.823 -0.011 0.000 0.999 371 V HN 1.012 nan 8.190 nan 0.000 0.426 372 H N 1.607 120.751 119.070 0.124 0.000 2.851 372 H HA 0.518 5.074 4.556 0.001 0.000 0.372 372 H C -1.071 174.419 175.328 0.271 0.000 1.158 372 H CA -0.611 55.532 56.048 0.157 0.000 1.159 372 H CB 2.566 32.389 29.762 0.102 0.000 1.757 372 H HN 0.482 nan 8.280 nan 0.000 0.546 373 T N 3.444 118.209 114.554 0.352 0.000 2.815 373 T HA 0.329 4.680 4.350 0.001 0.000 0.289 373 T C 0.160 175.004 174.700 0.238 0.000 1.000 373 T CA -0.641 61.651 62.100 0.319 0.000 0.958 373 T CB 0.260 69.270 68.868 0.237 0.000 0.944 373 T HN 0.280 nan 8.240 nan 0.000 0.442 374 L N 3.374 124.732 121.223 0.226 0.000 2.387 374 L HA 0.401 4.741 4.340 0.001 0.000 0.259 374 L C 1.609 178.495 176.870 0.027 0.000 1.050 374 L CA -0.711 54.230 54.840 0.169 0.000 0.922 374 L CB 0.859 43.111 42.059 0.322 0.000 1.280 374 L HN 0.828 nan 8.230 nan 0.000 0.449 375 G N 0.976 109.672 108.800 -0.172 0.000 2.598 375 G HA2 -0.118 3.843 3.960 0.001 0.000 0.215 375 G HA3 -0.118 3.843 3.960 0.001 0.000 0.215 375 G C 1.387 176.031 174.900 -0.426 0.000 1.131 375 G CA 0.641 45.297 45.100 -0.739 0.000 0.785 375 G HN 0.719 nan 8.290 nan 0.000 0.539 376 G N 0.333 108.998 108.800 -0.226 0.000 2.527 376 G HA2 -0.130 3.830 3.960 0.001 0.000 0.219 376 G HA3 -0.130 3.830 3.960 0.001 0.000 0.219 376 G C 1.087 175.765 174.900 -0.371 0.000 1.117 376 G CA 0.055 44.989 45.100 -0.278 0.000 0.759 376 G HN 0.427 nan 8.290 nan 0.000 0.556 377 F N 1.013 120.855 119.950 -0.180 0.000 2.731 377 F HA 0.308 4.836 4.527 0.001 0.000 0.304 377 F C 1.712 177.440 175.800 -0.120 0.000 1.133 377 F CA -0.373 57.573 58.000 -0.090 0.000 1.380 377 F CB 0.288 39.224 39.000 -0.107 0.000 1.079 377 F HN -0.012 nan 8.300 nan 0.000 0.550 378 S N 0.237 115.819 115.700 -0.197 0.000 2.558 378 S HA 0.198 4.669 4.470 0.001 0.000 0.288 378 S C 1.298 175.829 174.600 -0.115 0.000 1.318 378 S CA 0.133 58.185 58.200 -0.247 0.000 1.056 378 S CB 0.816 63.534 63.200 -0.802 0.000 0.853 378 S HN 0.419 nan 8.310 nan 0.000 0.505 379 G N 3.618 112.438 108.800 0.034 0.000 3.434 379 G HA2 0.207 4.168 3.960 0.001 0.000 0.258 379 G HA3 0.207 4.168 3.960 0.001 0.000 0.258 379 G C 0.138 175.057 174.900 0.032 0.000 1.128 379 G CA -0.178 44.933 45.100 0.019 0.000 0.792 379 G HN 0.763 nan 8.290 nan 0.000 0.539 380 H N -0.069 119.054 119.070 0.088 0.000 2.622 380 H HA 0.542 5.098 4.556 0.001 0.000 0.363 380 H C -0.065 175.335 175.328 0.121 0.000 1.151 380 H CA -0.583 55.525 56.048 0.099 0.000 1.184 380 H CB 2.150 32.054 29.762 0.237 0.000 1.643 380 H HN 0.153 nan 8.280 nan 0.000 0.531 381 A N 2.014 124.944 122.820 0.184 0.000 2.511 381 A HA 0.345 4.666 4.320 0.001 0.000 0.242 381 A C 1.010 178.682 177.584 0.146 0.000 1.069 381 A CA 0.461 52.572 52.037 0.123 0.000 0.763 381 A CB -0.132 18.869 19.000 0.000 0.000 1.001 381 A HN 0.757 nan 8.150 nan 0.000 0.498 382 G N 0.084 108.897 108.800 0.022 0.000 2.651 382 G HA2 0.307 4.267 3.960 0.001 0.000 0.260 382 G HA3 0.307 4.267 3.960 0.001 0.000 0.260 382 G C 0.711 175.565 174.900 -0.077 0.000 1.216 382 G CA 0.333 45.248 45.100 -0.308 0.000 0.913 382 G HN 0.954 nan 8.290 nan 0.000 0.535 383 Q N -0.397 119.360 119.800 -0.072 0.000 2.045 383 Q HA -0.235 4.105 4.340 0.001 0.000 0.206 383 Q C 2.168 178.172 176.000 0.006 0.000 0.991 383 Q CA 2.494 58.294 55.803 -0.006 0.000 0.851 383 Q CB -0.236 28.497 28.738 -0.008 0.000 0.911 383 Q HN 0.739 nan 8.270 nan 0.000 0.418 384 D N 0.042 120.438 120.400 -0.006 0.000 2.116 384 D HA -0.252 4.389 4.640 0.001 0.000 0.193 384 D C 1.422 177.742 176.300 0.033 0.000 0.998 384 D CA 2.021 56.029 54.000 0.013 0.000 0.836 384 D CB -0.653 40.153 40.800 0.010 0.000 0.951 384 D HN 0.552 nan 8.370 nan 0.000 0.449 385 E N -0.396 119.826 120.200 0.036 0.000 2.107 385 E HA -0.077 4.273 4.350 0.001 0.000 0.191 385 E C 2.177 178.834 176.600 0.095 0.000 0.982 385 E CA 0.127 56.565 56.400 0.062 0.000 0.809 385 E CB -0.051 29.681 29.700 0.053 0.000 0.756 385 E HN 0.148 nan 8.360 nan 0.000 0.459 386 L N 0.959 122.225 121.223 0.072 0.000 2.012 386 L HA -0.182 4.159 4.340 0.001 0.000 0.210 386 L C 2.251 179.200 176.870 0.131 0.000 1.073 386 L CA 1.506 56.403 54.840 0.095 0.000 0.748 386 L CB -0.791 41.305 42.059 0.062 0.000 0.891 386 L HN 0.169 nan 8.230 nan 0.000 0.431 387 L N -0.905 120.368 121.223 0.083 0.000 2.046 387 L HA -0.251 4.090 4.340 0.001 0.000 0.208 387 L C 2.211 179.120 176.870 0.065 0.000 1.077 387 L CA 1.280 56.159 54.840 0.064 0.000 0.747 387 L CB -0.647 41.434 42.059 0.038 0.000 0.896 387 L HN 0.275 nan 8.230 nan 0.000 0.432 388 D N -1.048 119.397 120.400 0.075 0.000 2.144 388 D HA -0.232 4.408 4.640 0.001 0.000 0.199 388 D C 1.756 178.097 176.300 0.068 0.000 0.984 388 D CA 1.055 55.090 54.000 0.058 0.000 0.834 388 D CB -0.264 40.574 40.800 0.064 0.000 0.955 388 D HN 0.397 nan 8.370 nan 0.000 0.465 389 W N 0.423 121.691 121.300 -0.053 0.000 2.465 389 W HA -0.051 4.609 4.660 0.001 0.000 0.268 389 W C 1.212 177.673 176.519 -0.097 0.000 1.242 389 W CA 0.556 57.849 57.345 -0.086 0.000 1.248 389 W CB 0.154 29.551 29.460 -0.104 0.000 1.118 389 W HN -0.110 nan 8.180 nan 0.000 0.587 390 L N 0.604 121.858 121.223 0.052 0.000 2.640 390 L HA 0.132 4.472 4.340 0.001 0.000 0.230 390 L C 1.232 178.048 176.870 -0.091 0.000 1.123 390 L CA 0.527 55.343 54.840 -0.040 0.000 0.900 390 L CB -1.548 40.559 42.059 0.080 0.000 1.146 390 L HN -0.134 nan 8.230 nan 0.000 0.484 391 Q N 0.919 120.670 119.800 -0.082 0.000 2.304 391 Q HA 0.028 4.369 4.340 0.001 0.000 0.315 391 Q C 1.156 177.098 176.000 -0.096 0.000 1.075 391 Q CA 1.335 57.095 55.803 -0.071 0.000 0.988 391 Q CB 0.331 29.034 28.738 -0.060 0.000 1.146 391 Q HN 0.569 nan 8.270 nan 0.000 0.383 392 G N 3.781 112.542 108.800 -0.066 0.000 2.166 392 G HA2 -0.236 3.724 3.960 0.001 0.000 0.260 392 G HA3 -0.236 3.724 3.960 0.001 0.000 0.260 392 G C -0.178 174.678 174.900 -0.073 0.000 0.986 392 G CA 0.509 45.570 45.100 -0.065 0.000 0.683 392 G HN 0.609 nan 8.290 nan 0.000 0.527 393 E N 0.338 120.490 120.200 -0.080 0.000 2.200 393 E HA 0.235 4.586 4.350 0.001 0.000 0.283 393 E C -0.994 175.579 176.600 -0.045 0.000 1.015 393 E CA -1.467 54.887 56.400 -0.077 0.000 0.819 393 E CB 1.929 31.568 29.700 -0.103 0.000 1.081 393 E HN 0.229 nan 8.360 nan 0.000 0.397 394 P HA -0.115 nan 4.420 nan 0.000 0.216 394 P C -0.058 177.232 177.300 -0.017 0.000 1.153 394 P CA 1.121 64.207 63.100 -0.024 0.000 0.848 394 P CB 0.624 32.311 31.700 -0.022 0.000 0.787 395 R N -0.355 120.136 120.500 -0.015 0.000 2.513 395 R HA 0.584 4.925 4.340 0.001 0.000 0.301 395 R C -1.243 175.057 176.300 -0.001 0.000 0.968 395 R CA -0.717 55.379 56.100 -0.008 0.000 0.872 395 R CB 2.722 33.018 30.300 -0.007 0.000 1.177 395 R HN -0.172 nan 8.270 nan 0.000 0.444 396 V N 3.717 123.634 119.914 0.005 0.000 2.483 396 V HA 0.330 4.451 4.120 0.001 0.000 0.297 396 V C -0.449 175.654 176.094 0.015 0.000 1.027 396 V CA -0.859 61.452 62.300 0.018 0.000 0.855 396 V CB 2.058 33.897 31.823 0.027 0.000 0.995 396 V HN 0.460 nan 8.190 nan 0.000 0.424 397 V N 6.384 126.305 119.914 0.013 0.000 2.328 397 V HA 0.408 4.529 4.120 0.001 0.000 0.278 397 V C -0.193 175.908 176.094 0.011 0.000 1.021 397 V CA -0.527 61.773 62.300 0.001 0.000 0.838 397 V CB 1.294 33.104 31.823 -0.022 0.000 0.999 397 V HN 0.597 nan 8.190 nan 0.000 0.447 398 L N 6.683 127.919 121.223 0.021 0.000 2.371 398 L HA 0.647 4.988 4.340 0.001 0.000 0.272 398 L C 0.305 177.201 176.870 0.044 0.000 1.124 398 L CA 0.544 55.407 54.840 0.037 0.000 0.816 398 L CB 1.328 43.410 42.059 0.038 0.000 1.129 398 L HN 0.631 nan 8.230 nan 0.000 0.448 399 V N -1.148 118.812 119.914 0.076 0.000 3.076 399 V HA 0.542 4.662 4.120 0.001 0.000 0.311 399 V C -0.052 176.161 176.094 0.199 0.000 1.346 399 V CA -0.977 61.395 62.300 0.119 0.000 1.056 399 V CB 1.314 33.213 31.823 0.126 0.000 1.093 399 V HN 0.843 nan 8.190 nan 0.000 0.468 400 H N 0.397 119.519 119.070 0.085 0.000 2.514 400 H HA -0.003 4.554 4.556 0.001 0.000 0.318 400 H C -0.193 175.141 175.328 0.009 0.000 0.994 400 H CA 1.611 57.700 56.048 0.069 0.000 1.056 400 H CB -1.007 28.826 29.762 0.118 0.000 1.621 400 H HN 2.158 nan 8.280 nan 0.000 0.360 401 G N 2.398 111.226 108.800 0.047 0.000 2.355 401 G HA2 0.275 4.235 3.960 0.001 0.000 0.296 401 G HA3 0.275 4.235 3.960 0.001 0.000 0.296 401 G C -1.301 173.583 174.900 -0.026 0.000 1.507 401 G CA -0.631 44.470 45.100 0.001 0.000 0.823 401 G HN 0.275 nan 8.290 nan 0.000 0.569 402 E N 0.381 120.547 120.200 -0.056 0.000 2.289 402 E HA 0.164 4.514 4.350 0.001 0.000 0.278 402 E C 0.930 177.514 176.600 -0.027 0.000 1.032 402 E CA -0.269 56.106 56.400 -0.043 0.000 0.854 402 E CB 2.338 32.000 29.700 -0.062 0.000 1.046 402 E HN 0.668 nan 8.360 nan 0.000 0.409 403 E N 2.700 122.893 120.200 -0.011 0.000 2.132 403 E HA -0.359 3.992 4.350 0.001 0.000 0.218 403 E C 1.120 177.713 176.600 -0.011 0.000 1.058 403 E CA 2.201 58.598 56.400 -0.004 0.000 0.882 403 E CB 0.169 29.869 29.700 -0.000 0.000 0.774 403 E HN 0.474 nan 8.360 nan 0.000 0.467 404 E N 0.414 120.603 120.200 -0.019 0.000 2.130 404 E HA -0.206 4.144 4.350 0.001 0.000 0.196 404 E C 1.979 178.562 176.600 -0.028 0.000 0.998 404 E CA 1.352 57.738 56.400 -0.022 0.000 0.806 404 E CB -0.040 29.643 29.700 -0.028 0.000 0.738 404 E HN 0.179 nan 8.360 nan 0.000 0.459 405 K N 0.056 120.433 120.400 -0.040 0.000 2.031 405 K HA -0.034 4.287 4.320 0.001 0.000 0.205 405 K C 2.058 178.644 176.600 -0.023 0.000 1.049 405 K CA 0.762 57.020 56.287 -0.048 0.000 0.939 405 K CB -0.428 32.021 32.500 -0.086 0.000 0.717 405 K HN 0.136 nan 8.250 nan 0.000 0.438 406 L N 0.856 122.072 121.223 -0.011 0.000 2.131 406 L HA -0.130 4.210 4.340 0.001 0.000 0.210 406 L C 2.252 179.126 176.870 0.006 0.000 1.092 406 L CA 0.994 55.838 54.840 0.006 0.000 0.759 406 L CB -0.766 41.303 42.059 0.017 0.000 0.903 406 L HN 0.022 nan 8.230 nan 0.000 0.435 407 L N -0.482 120.741 121.223 0.000 0.000 2.072 407 L HA -0.032 4.309 4.340 0.001 0.000 0.205 407 L C 2.576 179.446 176.870 -0.000 0.000 1.079 407 L CA 1.802 56.642 54.840 0.001 0.000 0.752 407 L CB -1.373 40.685 42.059 -0.002 0.000 0.906 407 L HN 0.231 nan 8.230 nan 0.000 0.436 408 A N -1.272 121.545 122.820 -0.005 0.000 2.070 408 A HA -0.161 4.160 4.320 0.001 0.000 0.220 408 A C 2.241 179.826 177.584 0.001 0.000 1.159 408 A CA 1.392 53.426 52.037 -0.005 0.000 0.656 408 A CB -0.533 18.460 19.000 -0.012 0.000 0.800 408 A HN 0.375 nan 8.150 nan 0.000 0.453 409 L N -1.145 120.081 121.223 0.005 0.000 2.168 409 L HA 0.052 4.392 4.340 0.001 0.000 0.203 409 L C 2.422 179.301 176.870 0.014 0.000 1.078 409 L CA 1.645 56.493 54.840 0.013 0.000 0.780 409 L CB -1.150 40.921 42.059 0.020 0.000 0.939 409 L HN 0.420 nan 8.230 nan 0.000 0.451 410 G N 0.104 108.911 108.800 0.012 0.000 2.422 410 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 410 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 410 G C 1.655 176.559 174.900 0.008 0.000 1.146 410 G CA 0.875 45.982 45.100 0.011 0.000 0.769 410 G HN 0.327 nan 8.290 nan 0.000 0.547 411 K N 0.137 120.540 120.400 0.006 0.000 1.987 411 K HA -0.087 4.233 4.320 0.001 0.000 0.216 411 K C 2.524 179.127 176.600 0.005 0.000 1.051 411 K CA 1.442 57.731 56.287 0.004 0.000 0.942 411 K CB -0.396 32.105 32.500 0.002 0.000 0.722 411 K HN 0.334 nan 8.250 nan 0.000 0.444 412 L N 0.971 122.198 121.223 0.006 0.000 2.042 412 L HA -0.215 4.126 4.340 0.001 0.000 0.210 412 L C 2.559 179.434 176.870 0.007 0.000 1.076 412 L CA 1.095 55.939 54.840 0.007 0.000 0.749 412 L CB -0.434 41.630 42.059 0.009 0.000 0.893 412 L HN 0.287 nan 8.230 nan 0.000 0.432 413 L N -0.531 120.698 121.223 0.010 0.000 2.131 413 L HA -0.205 4.136 4.340 0.001 0.000 0.210 413 L C 2.773 179.646 176.870 0.005 0.000 1.092 413 L CA 1.030 55.876 54.840 0.009 0.000 0.759 413 L CB -0.576 41.492 42.059 0.014 0.000 0.903 413 L HN 0.271 nan 8.230 nan 0.000 0.435 414 A N -0.189 122.634 122.820 0.004 0.000 1.874 414 A HA -0.076 4.244 4.320 0.001 0.000 0.214 414 A C 2.137 179.722 177.584 0.001 0.000 1.189 414 A CA 0.815 52.853 52.037 0.002 0.000 0.615 414 A CB -0.565 18.436 19.000 0.003 0.000 0.830 414 A HN 0.320 nan 8.150 nan 0.000 0.443 415 L N -1.077 120.147 121.223 0.002 0.000 2.353 415 L HA -0.093 4.247 4.340 0.001 0.000 0.220 415 L C 2.566 179.436 176.870 -0.000 0.000 1.133 415 L CA 1.013 55.853 54.840 0.001 0.000 0.798 415 L CB -0.252 41.809 42.059 0.002 0.000 0.922 415 L HN 0.367 nan 8.230 nan 0.000 0.445 416 R N -0.655 119.845 120.500 -0.000 0.000 2.300 416 R HA 0.067 4.407 4.340 0.001 0.000 0.199 416 R C 1.295 177.593 176.300 -0.005 0.000 0.920 416 R CA 0.664 56.763 56.100 -0.002 0.000 1.046 416 R CB 0.372 30.671 30.300 -0.001 0.000 0.984 416 R HN 0.356 nan 8.270 nan 0.000 0.493 417 G N 0.039 108.837 108.800 -0.004 0.000 2.195 417 G HA2 -0.263 3.697 3.960 0.001 0.000 0.224 417 G HA3 -0.263 3.697 3.960 0.001 0.000 0.224 417 G C -0.185 174.711 174.900 -0.007 0.000 0.990 417 G CA -0.326 44.770 45.100 -0.006 0.000 0.639 417 G HN 0.365 nan 8.290 nan 0.000 0.514 418 Q N 0.846 120.642 119.800 -0.006 0.000 2.288 418 Q HA 0.474 4.815 4.340 0.001 0.000 0.254 418 Q C -0.219 175.779 176.000 -0.003 0.000 0.932 418 Q CA -0.133 55.666 55.803 -0.006 0.000 0.902 418 Q CB 0.981 29.716 28.738 -0.006 0.000 1.203 418 Q HN 0.529 nan 8.270 nan 0.000 0.415 419 E N 1.533 121.730 120.200 -0.004 0.000 2.223 419 E HA 0.257 4.608 4.350 0.001 0.000 0.282 419 E C -1.044 175.557 176.600 0.000 0.000 1.046 419 E CA -0.239 56.160 56.400 -0.002 0.000 0.857 419 E CB 1.384 31.081 29.700 -0.004 0.000 1.055 419 E HN 0.191 nan 8.360 nan 0.000 0.409 420 V N 2.632 122.547 119.914 0.003 0.000 2.960 420 V HA 0.735 4.855 4.120 0.001 0.000 0.315 420 V C -0.867 175.229 176.094 0.005 0.000 1.087 420 V CA -0.229 62.074 62.300 0.006 0.000 0.982 420 V CB 2.167 33.995 31.823 0.009 0.000 1.039 420 V HN 0.853 nan 8.190 nan 0.000 0.437 421 S N 4.574 120.278 115.700 0.006 0.000 2.643 421 S HA 0.751 5.222 4.470 0.001 0.000 0.270 421 S C -1.911 172.694 174.600 0.008 0.000 1.166 421 S CA -0.798 57.405 58.200 0.005 0.000 0.815 421 S CB 1.566 64.766 63.200 0.000 0.000 1.139 421 S HN 0.680 nan 8.310 nan 0.000 0.472 422 L N 2.039 123.268 121.223 0.010 0.000 2.319 422 L HA 0.777 5.118 4.340 0.001 0.000 0.281 422 L C 0.803 177.682 176.870 0.014 0.000 1.005 422 L CA -0.241 54.609 54.840 0.016 0.000 0.828 422 L CB 0.947 43.017 42.059 0.019 0.000 1.227 422 L HN 1.090 nan 8.230 nan 0.000 0.415 423 A N 4.668 127.494 122.820 0.010 0.000 2.577 423 A HA 0.415 4.736 4.320 0.001 0.000 0.233 423 A C 0.241 177.838 177.584 0.022 0.000 1.076 423 A CA 0.294 52.331 52.037 -0.001 0.000 0.767 423 A CB 0.136 19.128 19.000 -0.013 0.000 1.017 423 A HN 0.722 nan 8.150 nan 0.000 0.511 424 R N -0.379 120.131 120.500 0.016 0.000 2.574 424 R HA 0.333 4.674 4.340 0.001 0.000 0.288 424 R C -0.985 175.365 176.300 0.083 0.000 1.004 424 R CA -0.533 55.605 56.100 0.064 0.000 0.895 424 R CB 1.689 32.021 30.300 0.054 0.000 1.191 424 R HN 0.699 nan 8.270 nan 0.000 0.444 425 F N 1.916 121.871 119.950 0.008 0.000 2.623 425 F HA -0.025 4.503 4.527 0.001 0.000 0.386 425 F C 1.530 177.324 175.800 -0.010 0.000 1.068 425 F CA 2.277 60.291 58.000 0.024 0.000 1.265 425 F CB 0.596 39.646 39.000 0.083 0.000 1.026 425 F HN 0.917 nan 8.300 nan 0.000 0.568 426 G N 3.592 112.498 108.800 0.176 0.000 2.302 426 G HA2 -0.350 3.611 3.960 0.001 0.000 0.263 426 G HA3 -0.350 3.611 3.960 0.001 0.000 0.263 426 G C 0.123 174.997 174.900 -0.043 0.000 0.995 426 G CA 0.384 45.568 45.100 0.141 0.000 0.622 426 G HN 0.658 nan 8.290 nan 0.000 0.538 427 E N 1.524 121.697 120.200 -0.046 0.000 2.052 427 E HA 0.478 4.828 4.350 0.001 0.000 0.283 427 E C 1.028 177.563 176.600 -0.108 0.000 1.071 427 E CA -0.038 56.334 56.400 -0.046 0.000 0.851 427 E CB 0.721 30.419 29.700 -0.004 0.000 1.066 427 E HN 0.450 nan 8.360 nan 0.000 0.396 428 G N 1.909 110.647 108.800 -0.104 0.000 2.554 428 G HA2 0.248 4.208 3.960 0.001 0.000 0.238 428 G HA3 0.248 4.208 3.960 0.001 0.000 0.238 428 G C -0.248 174.608 174.900 -0.073 0.000 1.259 428 G CA -0.351 44.683 45.100 -0.111 0.000 0.843 428 G HN 0.335 nan 8.290 nan 0.000 0.582 429 V N 4.050 123.918 119.914 -0.077 0.000 2.444 429 V HA 0.361 4.482 4.120 0.001 0.000 0.294 429 V C -1.987 174.082 176.094 -0.042 0.000 1.022 429 V CA -1.564 60.704 62.300 -0.054 0.000 0.850 429 V CB 2.261 34.049 31.823 -0.059 0.000 0.992 429 V HN 0.721 nan 8.190 nan 0.000 0.426 430 P HA 0.183 nan 4.420 nan 0.000 0.276 430 P C 0.033 177.324 177.300 -0.016 0.000 1.253 430 P CA 0.266 63.355 63.100 -0.019 0.000 0.766 430 P CB 1.330 33.023 31.700 -0.012 0.000 0.845 431 V N 0.000 119.906 119.914 -0.013 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 431 V CB 0.000 31.823 31.823 0.000 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556