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_C 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 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 3.135 123.622 120.500 -0.021 0.000 2.744 2 R HA 0.765 5.103 4.340 -0.003 0.000 0.279 2 R C -1.479 174.795 176.300 -0.044 0.000 0.977 2 R CA -1.007 55.073 56.100 -0.032 0.000 0.906 2 R CB 2.874 33.153 30.300 -0.035 0.000 1.197 2 R HN 0.647 nan 8.270 nan 0.000 0.463 3 I N 1.927 122.461 120.570 -0.060 0.000 2.410 3 I HA 0.235 4.403 4.170 -0.003 0.000 0.286 3 I C -1.167 174.876 176.117 -0.123 0.000 1.009 3 I CA -0.638 60.615 61.300 -0.079 0.000 1.111 3 I CB 1.864 39.817 38.000 -0.078 0.000 1.262 3 I HN 0.308 nan 8.210 nan 0.000 0.443 4 V N 10.044 129.868 119.914 -0.150 0.000 2.333 4 V HA 0.443 4.561 4.120 -0.003 0.000 0.274 4 V C -2.191 173.627 176.094 -0.459 0.000 1.028 4 V CA -1.687 60.421 62.300 -0.320 0.000 0.851 4 V CB 0.778 32.405 31.823 -0.327 0.000 1.000 4 V HN 0.636 nan 8.190 nan 0.000 0.456 5 P HA 0.225 nan 4.420 nan 0.000 0.268 5 P C -0.446 176.418 177.300 -0.726 0.000 1.204 5 P CA 0.231 63.188 63.100 -0.238 0.000 0.768 5 P CB 0.257 31.891 31.700 -0.111 0.000 0.842 6 F N 1.693 121.571 119.950 -0.121 0.000 2.790 6 F HA 0.474 4.999 4.527 -0.003 0.000 0.347 6 F C 0.802 176.804 175.800 0.337 0.000 1.252 6 F CA 0.060 58.002 58.000 -0.095 0.000 1.109 6 F CB 0.714 39.759 39.000 0.075 0.000 1.205 6 F HN 0.440 nan 8.300 nan 0.000 0.510 7 G N -1.252 107.781 108.800 0.388 0.000 2.356 7 G HA2 0.517 4.475 3.960 -0.003 0.000 0.294 7 G HA3 0.517 4.475 3.960 -0.003 0.000 0.294 7 G C 0.265 175.299 174.900 0.223 0.000 1.423 7 G CA -0.012 45.284 45.100 0.326 0.000 0.806 7 G HN 0.666 nan 8.290 nan 0.000 0.527 8 A N -1.942 120.989 122.820 0.184 0.000 2.985 8 A HA 0.131 4.449 4.320 -0.003 0.000 0.276 8 A C 1.428 179.125 177.584 0.188 0.000 1.270 8 A CA 2.168 54.288 52.037 0.137 0.000 0.982 8 A CB -1.655 17.448 19.000 0.171 0.000 0.977 8 A HN 2.639 nan 8.150 nan 0.000 0.682 9 A N -1.263 121.697 122.820 0.234 0.000 2.404 9 A HA 0.575 4.893 4.320 -0.003 0.000 0.273 9 A C 1.193 178.851 177.584 0.124 0.000 1.144 9 A CA 0.691 52.841 52.037 0.188 0.000 0.806 9 A CB -0.109 19.030 19.000 0.231 0.000 1.080 9 A HN 1.387 nan 8.150 nan 0.000 0.509 10 R N -0.541 120.010 120.500 0.085 0.000 3.946 10 R HA -0.233 4.105 4.340 -0.003 0.000 0.329 10 R C 0.098 176.412 176.300 0.024 0.000 1.209 10 R CA 2.141 58.269 56.100 0.046 0.000 0.909 10 R CB -2.130 28.193 30.300 0.037 0.000 1.355 10 R HN 1.028 nan 8.270 nan 0.000 0.539 11 E N -2.929 117.286 120.200 0.026 0.000 2.435 11 E HA 0.467 4.816 4.350 -0.003 0.000 0.272 11 E C 0.231 176.773 176.600 -0.097 0.000 1.031 11 E CA -0.511 55.880 56.400 -0.016 0.000 0.872 11 E CB 0.672 30.381 29.700 0.015 0.000 1.588 11 E HN -0.009 nan 8.360 nan 0.000 0.460 12 V N -2.743 117.064 119.914 -0.178 0.000 3.643 12 V HA 0.232 4.350 4.120 -0.003 0.000 0.280 12 V C 0.461 176.284 176.094 -0.452 0.000 1.351 12 V CA 1.023 63.022 62.300 -0.503 0.000 1.073 12 V CB -0.195 31.397 31.823 -0.386 0.000 0.863 12 V HN 0.727 nan 8.190 nan 0.000 0.436 13 T N -3.353 111.127 114.554 -0.124 0.000 2.950 13 T HA 0.711 5.059 4.350 -0.003 0.000 0.288 13 T C 1.009 175.665 174.700 -0.072 0.000 1.035 13 T CA 0.156 62.228 62.100 -0.047 0.000 1.028 13 T CB 1.265 70.182 68.868 0.082 0.000 1.109 13 T HN 1.559 nan 8.240 nan 0.000 0.514 14 G N 0.593 109.148 108.800 -0.408 0.000 2.157 14 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.248 14 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.248 14 G C 0.262 174.897 174.900 -0.441 0.000 0.979 14 G CA -0.062 44.488 45.100 -0.917 0.000 0.650 14 G HN 1.151 nan 8.290 nan 0.000 0.529 15 S N 0.665 116.167 115.700 -0.331 0.000 3.225 15 S HA 0.374 4.842 4.470 -0.003 0.000 0.378 15 S C 0.570 174.926 174.600 -0.406 0.000 1.190 15 S CA 1.124 59.103 58.200 -0.368 0.000 1.104 15 S CB 0.311 63.164 63.200 -0.577 0.000 0.795 15 S HN 1.967 nan 8.310 nan 0.000 0.517 16 A N 4.837 127.304 122.820 -0.589 0.000 2.512 16 A HA 0.492 4.810 4.320 -0.003 0.000 0.290 16 A C -1.107 176.148 177.584 -0.549 0.000 1.041 16 A CA -0.788 51.023 52.037 -0.376 0.000 0.911 16 A CB 0.908 19.889 19.000 -0.032 0.000 1.407 16 A HN 0.774 nan 8.150 nan 0.000 0.398 17 H N 2.769 121.760 119.070 -0.132 0.000 2.708 17 H HA 0.371 4.925 4.556 -0.003 0.000 0.320 17 H C -0.967 174.249 175.328 -0.187 0.000 0.991 17 H CA -0.688 55.248 56.048 -0.187 0.000 1.243 17 H CB 1.853 31.387 29.762 -0.380 0.000 1.446 17 H HN 0.540 nan 8.280 nan 0.000 0.502 18 L N 4.954 126.142 121.223 -0.058 0.000 2.325 18 L HA 0.129 4.468 4.340 -0.003 0.000 0.284 18 L C -0.546 176.257 176.870 -0.110 0.000 1.089 18 L CA -0.465 54.266 54.840 -0.183 0.000 0.836 18 L CB 0.064 41.968 42.059 -0.258 0.000 1.184 18 L HN 0.414 nan 8.230 nan 0.000 0.444 19 L N 6.639 127.801 121.223 -0.102 0.000 2.290 19 L HA 0.467 4.805 4.340 -0.003 0.000 0.284 19 L C -1.073 175.761 176.870 -0.061 0.000 1.078 19 L CA 0.166 54.969 54.840 -0.061 0.000 0.815 19 L CB 0.714 42.755 42.059 -0.030 0.000 1.162 19 L HN 0.549 nan 8.230 nan 0.000 0.435 20 L N 6.659 127.855 121.223 -0.045 0.000 2.316 20 L HA 0.908 5.246 4.340 -0.003 0.000 0.280 20 L C -0.292 176.565 176.870 -0.021 0.000 1.006 20 L CA -0.219 54.600 54.840 -0.035 0.000 0.836 20 L CB 1.128 43.169 42.059 -0.030 0.000 1.221 20 L HN 0.911 nan 8.230 nan 0.000 0.418 21 A N 1.661 124.472 122.820 -0.016 0.000 2.522 21 A HA 0.596 4.914 4.320 -0.003 0.000 0.294 21 A C 0.383 177.963 177.584 -0.006 0.000 1.001 21 A CA 0.003 52.034 52.037 -0.009 0.000 0.642 21 A CB 0.602 19.600 19.000 -0.004 0.000 1.326 21 A HN 0.958 nan 8.150 nan 0.000 0.435 22 G N -0.594 108.204 108.800 -0.005 0.000 2.187 22 G HA2 0.245 4.203 3.960 -0.003 0.000 0.261 22 G HA3 0.245 4.203 3.960 -0.003 0.000 0.261 22 G C 1.786 176.683 174.900 -0.004 0.000 1.000 22 G CA 1.625 46.722 45.100 -0.005 0.000 0.718 22 G HN 3.040 nan 8.290 nan 0.000 0.519 23 G N -2.038 106.760 108.800 -0.004 0.000 2.136 23 G HA2 -0.172 3.787 3.960 -0.003 0.000 0.242 23 G HA3 -0.172 3.787 3.960 -0.003 0.000 0.242 23 G C 0.295 175.194 174.900 -0.001 0.000 0.989 23 G CA 1.068 46.166 45.100 -0.002 0.000 0.682 23 G HN 1.015 nan 8.290 nan 0.000 0.522 24 R N -0.846 119.652 120.500 -0.004 0.000 2.888 24 R HA 0.667 5.006 4.340 -0.003 0.000 0.264 24 R C -0.210 176.080 176.300 -0.017 0.000 1.045 24 R CA -0.904 55.194 56.100 -0.003 0.000 0.962 24 R CB 1.156 31.458 30.300 0.003 0.000 1.210 24 R HN 0.301 nan 8.270 nan 0.000 0.479 25 R N 0.695 121.180 120.500 -0.025 0.000 2.435 25 R HA 0.489 4.827 4.340 -0.003 0.000 0.308 25 R C -0.891 175.361 176.300 -0.079 0.000 0.975 25 R CA -0.700 55.362 56.100 -0.064 0.000 0.867 25 R CB 1.924 32.176 30.300 -0.080 0.000 1.171 25 R HN 0.174 nan 8.270 nan 0.000 0.470 26 V N 4.482 124.344 119.914 -0.087 0.000 2.448 26 V HA 0.286 4.405 4.120 -0.003 0.000 0.295 26 V C -0.123 175.893 176.094 -0.129 0.000 1.025 26 V CA -0.877 61.377 62.300 -0.077 0.000 0.859 26 V CB 2.199 34.008 31.823 -0.023 0.000 0.988 26 V HN 0.574 nan 8.190 nan 0.000 0.431 27 L N 6.057 127.175 121.223 -0.175 0.000 2.260 27 L HA 0.461 4.799 4.340 -0.003 0.000 0.289 27 L C -1.004 175.821 176.870 -0.075 0.000 1.057 27 L CA -0.493 54.212 54.840 -0.224 0.000 0.811 27 L CB 1.292 43.128 42.059 -0.371 0.000 1.184 27 L HN 0.491 nan 8.230 nan 0.000 0.429 28 L N 5.844 127.048 121.223 -0.032 0.000 2.282 28 L HA 0.389 4.727 4.340 -0.003 0.000 0.287 28 L C -0.310 176.630 176.870 0.118 0.000 1.075 28 L CA 0.157 55.065 54.840 0.114 0.000 0.839 28 L CB -0.044 42.084 42.059 0.114 0.000 1.219 28 L HN 0.598 nan 8.230 nan 0.000 0.434 29 D N 1.303 121.808 120.400 0.174 0.000 10.770 29 D HA -0.245 4.393 4.640 -0.003 0.000 0.340 29 D C -0.485 175.811 176.300 -0.006 0.000 3.132 29 D CA 0.372 54.457 54.000 0.142 0.000 2.696 29 D CB -0.209 40.750 40.800 0.264 0.000 1.209 29 D HN 0.635 nan 8.370 nan 0.000 0.941 30 C N 3.016 122.313 119.300 -0.004 0.000 3.359 30 C HA 0.556 5.014 4.460 -0.003 0.000 0.194 30 C C 0.825 175.812 174.990 -0.004 0.000 1.659 30 C CA 0.454 59.469 59.018 -0.005 0.000 1.338 30 C CB -0.720 27.023 27.740 0.005 0.000 2.109 30 C HN 0.596 nan 8.230 nan 0.000 0.518 31 G N 2.613 111.351 108.800 -0.104 0.000 2.539 31 G HA2 0.507 4.465 3.960 -0.003 0.000 0.258 31 G HA3 0.507 4.465 3.960 -0.003 0.000 0.258 31 G C -0.102 174.668 174.900 -0.217 0.000 1.202 31 G CA -0.401 44.616 45.100 -0.138 0.000 0.851 31 G HN 0.801 nan 8.290 nan 0.000 0.556 32 M N -0.004 119.512 119.600 -0.140 0.000 2.444 32 M HA 0.681 5.160 4.480 -0.003 0.000 0.319 32 M C -1.289 174.847 176.300 -0.273 0.000 1.183 32 M CA -0.565 54.621 55.300 -0.189 0.000 1.032 32 M CB 1.320 33.982 32.600 0.105 0.000 1.569 32 M HN 0.198 nan 8.290 nan 0.000 0.468 33 F N 1.638 121.555 119.950 -0.055 0.000 2.396 33 F HA 0.405 4.930 4.527 -0.003 0.000 0.343 33 F C 0.375 176.167 175.800 -0.012 0.000 1.104 33 F CA -0.121 57.848 58.000 -0.051 0.000 1.161 33 F CB 1.084 40.025 39.000 -0.099 0.000 1.146 33 F HN 0.596 nan 8.300 nan 0.000 0.522 34 Q N 1.084 120.999 119.800 0.191 0.000 2.359 34 Q HA 0.629 4.968 4.340 -0.003 0.000 0.275 34 Q C 0.725 176.792 176.000 0.112 0.000 1.082 34 Q CA -0.487 55.400 55.803 0.141 0.000 0.849 34 Q CB 2.160 30.973 28.738 0.124 0.000 1.377 34 Q HN 0.855 nan 8.270 nan 0.000 0.452 35 G N 1.422 110.280 108.800 0.097 0.000 2.602 35 G HA2 -0.433 3.525 3.960 -0.003 0.000 0.310 35 G HA3 -0.433 3.525 3.960 -0.003 0.000 0.310 35 G C 0.570 175.497 174.900 0.044 0.000 1.183 35 G CA 0.792 45.934 45.100 0.070 0.000 0.979 35 G HN 0.630 nan 8.290 nan 0.000 0.545 36 K N 0.997 121.411 120.400 0.023 0.000 2.148 36 K HA 0.051 4.369 4.320 -0.003 0.000 0.204 36 K C 2.177 178.756 176.600 -0.036 0.000 1.050 36 K CA 1.552 57.834 56.287 -0.008 0.000 0.942 36 K CB -0.075 32.414 32.500 -0.018 0.000 0.724 36 K HN 0.424 nan 8.250 nan 0.000 0.446 37 E N 0.878 121.059 120.200 -0.032 0.000 2.435 37 E HA -0.097 4.252 4.350 -0.003 0.000 0.195 37 E C 1.522 178.093 176.600 -0.048 0.000 1.029 37 E CA 0.260 56.593 56.400 -0.112 0.000 0.865 37 E CB 0.070 29.688 29.700 -0.137 0.000 0.833 37 E HN 0.245 nan 8.360 nan 0.000 0.510 38 E N 1.363 121.593 120.200 0.049 0.000 2.233 38 E HA -0.269 4.079 4.350 -0.003 0.000 0.210 38 E C 1.720 178.356 176.600 0.062 0.000 1.046 38 E CA 1.465 57.919 56.400 0.090 0.000 0.844 38 E CB -0.003 29.757 29.700 0.099 0.000 0.741 38 E HN 0.232 nan 8.360 nan 0.000 0.465 39 A N 0.737 123.566 122.820 0.015 0.000 2.070 39 A HA -0.138 4.180 4.320 -0.003 0.000 0.220 39 A C 2.065 179.639 177.584 -0.015 0.000 1.159 39 A CA 1.024 53.077 52.037 0.026 0.000 0.656 39 A CB -0.390 18.583 19.000 -0.045 0.000 0.800 39 A HN 0.172 nan 8.150 nan 0.000 0.453 40 R N -0.190 120.233 120.500 -0.128 0.000 2.285 40 R HA -0.080 4.259 4.340 -0.003 0.000 0.213 40 R C 1.023 177.266 176.300 -0.095 0.000 1.068 40 R CA 1.204 57.182 56.100 -0.204 0.000 1.004 40 R CB -0.451 29.466 30.300 -0.639 0.000 0.873 40 R HN 0.695 nan 8.270 nan 0.000 0.467 41 N N -0.196 118.401 118.700 -0.172 0.000 2.573 41 N HA -0.097 4.641 4.740 -0.003 0.000 0.187 41 N C 0.835 175.870 175.510 -0.792 0.000 1.107 41 N CA 0.449 53.074 53.050 -0.707 0.000 0.918 41 N CB 0.097 37.739 38.487 -1.408 0.000 0.966 41 N HN 0.322 nan 8.380 nan 0.000 0.448 42 H N -0.903 117.980 119.070 -0.311 0.000 2.652 42 H HA 0.343 4.897 4.556 -0.003 0.000 0.274 42 H C 0.392 175.626 175.328 -0.156 0.000 1.021 42 H CA -0.155 55.799 56.048 -0.158 0.000 1.187 42 H CB 0.610 30.331 29.762 -0.068 0.000 1.505 42 H HN 0.146 nan 8.280 nan 0.000 0.530 43 A N 2.336 125.088 122.820 -0.113 0.000 2.248 43 A HA 0.471 4.790 4.320 -0.003 0.000 0.316 43 A C -1.998 175.464 177.584 -0.204 0.000 1.101 43 A CA -1.487 50.477 52.037 -0.122 0.000 0.875 43 A CB 0.465 19.390 19.000 -0.125 0.000 1.207 43 A HN -0.042 nan 8.150 nan 0.000 0.504 44 P HA 0.123 nan 4.420 nan 0.000 0.270 44 P C 0.003 177.169 177.300 -0.223 0.000 1.223 44 P CA -0.000 62.989 63.100 -0.185 0.000 0.785 44 P CB 0.345 31.994 31.700 -0.084 0.000 0.923 45 F N 0.413 120.163 119.950 -0.334 0.000 2.163 45 F HA 0.082 4.607 4.527 -0.003 0.000 0.297 45 F C 2.215 177.715 175.800 -0.500 0.000 1.094 45 F CA 2.441 60.102 58.000 -0.566 0.000 1.290 45 F CB -0.729 37.444 39.000 -1.377 0.000 1.017 45 F HN 0.623 nan 8.300 nan 0.000 0.483 46 G N -0.975 107.647 108.800 -0.296 0.000 2.205 46 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.180 46 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.180 46 G C -0.037 174.719 174.900 -0.239 0.000 1.004 46 G CA -0.144 44.887 45.100 -0.115 0.000 0.670 46 G HN 0.396 nan 8.290 nan 0.000 0.496 47 F N -0.555 119.185 119.950 -0.350 0.000 2.631 47 F HA 0.751 5.277 4.527 -0.003 0.000 0.308 47 F C -0.836 174.864 175.800 -0.166 0.000 1.097 47 F CA -1.920 55.906 58.000 -0.289 0.000 0.952 47 F CB 1.029 39.743 39.000 -0.477 0.000 1.307 47 F HN -0.083 nan 8.300 nan 0.000 0.450 48 D N 4.172 124.613 120.400 0.070 0.000 2.346 48 D HA 0.192 4.830 4.640 -0.003 0.000 0.260 48 D C -1.399 174.935 176.300 0.057 0.000 1.252 48 D CA -2.201 51.813 54.000 0.023 0.000 0.895 48 D CB 1.365 42.188 40.800 0.039 0.000 1.097 48 D HN 0.366 nan 8.370 nan 0.000 0.489 49 P HA -0.128 nan 4.420 nan 0.000 0.222 49 P C 0.702 178.002 177.300 -0.000 0.000 1.147 49 P CA 0.821 63.875 63.100 -0.076 0.000 0.790 49 P CB 0.383 31.991 31.700 -0.154 0.000 0.780 50 K N -0.345 120.072 120.400 0.029 0.000 2.486 50 K HA -0.012 4.307 4.320 -0.003 0.000 0.194 50 K C 1.332 177.968 176.600 0.061 0.000 1.033 50 K CA 0.541 56.860 56.287 0.053 0.000 1.004 50 K CB 0.083 32.601 32.500 0.029 0.000 0.798 50 K HN 0.062 nan 8.250 nan 0.000 0.495 51 E N 0.612 120.841 120.200 0.049 0.000 2.476 51 E HA 0.058 4.407 4.350 -0.003 0.000 0.196 51 E C -0.353 176.258 176.600 0.019 0.000 1.029 51 E CA 0.042 56.465 56.400 0.037 0.000 0.896 51 E CB 0.592 30.310 29.700 0.031 0.000 1.012 51 E HN -0.064 nan 8.360 nan 0.000 0.475 52 V N 1.925 121.849 119.914 0.016 0.000 2.546 52 V HA 0.051 4.169 4.120 -0.003 0.000 0.284 52 V C 1.120 177.293 176.094 0.131 0.000 1.050 52 V CA -0.011 62.250 62.300 -0.065 0.000 0.981 52 V CB 1.616 33.221 31.823 -0.363 0.000 0.990 52 V HN 0.042 nan 8.190 nan 0.000 0.474 53 D N 2.419 122.872 120.400 0.088 0.000 2.324 53 D HA 0.347 4.985 4.640 -0.003 0.000 0.212 53 D C 0.448 176.889 176.300 0.235 0.000 0.984 53 D CA 1.066 55.156 54.000 0.150 0.000 0.885 53 D CB 1.167 42.012 40.800 0.075 0.000 0.996 53 D HN 0.656 nan 8.370 nan 0.000 0.505 54 A N -0.056 122.875 122.820 0.185 0.000 2.601 54 A HA 0.570 4.888 4.320 -0.003 0.000 0.291 54 A C -1.570 176.084 177.584 0.117 0.000 1.075 54 A CA -0.513 51.685 52.037 0.269 0.000 0.671 54 A CB 1.571 20.757 19.000 0.310 0.000 1.277 54 A HN -0.114 nan 8.150 nan 0.000 0.417 55 V N 0.556 120.580 119.914 0.184 0.000 2.709 55 V HA 0.640 4.758 4.120 -0.003 0.000 0.308 55 V C -1.274 174.956 176.094 0.227 0.000 1.062 55 V CA -0.445 61.904 62.300 0.082 0.000 0.901 55 V CB 1.618 33.429 31.823 -0.019 0.000 1.003 55 V HN 0.738 nan 8.190 nan 0.000 0.425 56 L N 4.906 126.253 121.223 0.207 0.000 2.362 56 L HA 0.640 4.978 4.340 -0.003 0.000 0.275 56 L C -0.920 176.144 176.870 0.322 0.000 0.998 56 L CA -0.306 54.725 54.840 0.318 0.000 0.820 56 L CB 1.756 43.973 42.059 0.263 0.000 1.270 56 L HN 0.382 nan 8.230 nan 0.000 0.415 57 L N 2.199 123.624 121.223 0.336 0.000 2.325 57 L HA 0.440 4.778 4.340 -0.003 0.000 0.281 57 L C 1.309 178.241 176.870 0.104 0.000 1.004 57 L CA -0.014 54.947 54.840 0.200 0.000 0.823 57 L CB 1.552 43.676 42.059 0.109 0.000 1.236 57 L HN 0.816 nan 8.230 nan 0.000 0.415 58 T N -0.909 113.702 114.554 0.096 0.000 2.951 58 T HA 0.056 4.404 4.350 -0.003 0.000 0.268 58 T C 0.518 175.184 174.700 -0.055 0.000 1.073 58 T CA 1.027 63.094 62.100 -0.055 0.000 1.134 58 T CB -0.249 68.662 68.868 0.072 0.000 0.884 58 T HN 0.661 nan 8.240 nan 0.000 0.479 59 H N -2.464 116.498 119.070 -0.180 0.000 2.987 59 H HA 0.620 5.174 4.556 -0.003 0.000 0.316 59 H C 0.465 175.735 175.328 -0.097 0.000 1.380 59 H CA -0.521 55.414 56.048 -0.188 0.000 1.160 59 H CB 1.100 30.742 29.762 -0.199 0.000 1.865 59 H HN 0.012 nan 8.280 nan 0.000 0.521 60 A N 0.776 123.585 122.820 -0.018 0.000 2.209 60 A HA 0.370 4.689 4.320 -0.003 0.000 0.212 60 A C 1.319 178.898 177.584 -0.009 0.000 1.158 60 A CA 0.638 52.651 52.037 -0.039 0.000 0.742 60 A CB -0.898 18.079 19.000 -0.039 0.000 0.790 60 A HN 0.925 nan 8.150 nan 0.000 0.472 61 A N -0.776 122.060 122.820 0.028 0.000 2.555 61 A HA 0.270 4.589 4.320 -0.003 0.000 0.233 61 A C 1.126 178.748 177.584 0.064 0.000 1.060 61 A CA 0.039 52.133 52.037 0.095 0.000 0.759 61 A CB -0.018 19.136 19.000 0.257 0.000 0.995 61 A HN 0.545 nan 8.150 nan 0.000 0.506 62 L N 1.199 122.481 121.223 0.097 0.000 2.191 62 L HA -0.094 4.244 4.340 -0.003 0.000 0.212 62 L C 1.839 178.772 176.870 0.105 0.000 1.103 62 L CA 2.417 57.318 54.840 0.102 0.000 0.769 62 L CB -0.469 41.661 42.059 0.119 0.000 0.908 62 L HN 0.856 nan 8.230 nan 0.000 0.438 63 D N -3.175 117.308 120.400 0.138 0.000 2.352 63 D HA -0.101 4.537 4.640 -0.003 0.000 0.236 63 D C 0.990 177.305 176.300 0.024 0.000 1.148 63 D CA 0.302 54.358 54.000 0.093 0.000 0.844 63 D CB -0.156 40.726 40.800 0.136 0.000 0.933 63 D HN 0.506 nan 8.370 nan 0.000 0.507 64 H N -0.582 118.451 119.070 -0.061 0.000 3.734 64 H HA 0.064 4.618 4.556 -0.003 0.000 0.253 64 H C 1.599 176.877 175.328 -0.084 0.000 1.072 64 H CA 0.603 56.583 56.048 -0.114 0.000 1.147 64 H CB 1.699 31.232 29.762 -0.381 0.000 1.495 64 H HN 0.179 nan 8.280 nan 0.000 0.588 65 V N -3.334 116.604 119.914 0.040 0.000 3.497 65 V HA 0.410 4.528 4.120 -0.003 0.000 0.272 65 V C 2.126 178.236 176.094 0.027 0.000 1.474 65 V CA 0.885 63.200 62.300 0.025 0.000 1.025 65 V CB 0.148 31.973 31.823 0.003 0.000 0.820 65 V HN 0.195 nan 8.190 nan 0.000 0.437 66 G N 1.241 110.076 108.800 0.059 0.000 2.550 66 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.222 66 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.222 66 G C 1.634 176.643 174.900 0.181 0.000 1.113 66 G CA 1.376 46.553 45.100 0.128 0.000 0.748 66 G HN 0.531 nan 8.290 nan 0.000 0.585 67 R N -0.697 119.897 120.500 0.156 0.000 2.317 67 R HA 0.246 4.584 4.340 -0.003 0.000 0.208 67 R C 2.076 178.508 176.300 0.220 0.000 0.914 67 R CA -0.350 55.906 56.100 0.260 0.000 1.060 67 R CB -0.096 30.336 30.300 0.220 0.000 1.015 67 R HN 0.330 nan 8.270 nan 0.000 0.498 68 L N 2.513 123.784 121.223 0.081 0.000 2.012 68 L HA -0.108 4.230 4.340 -0.003 0.000 0.210 68 L C -1.009 175.955 176.870 0.155 0.000 1.073 68 L CA 2.121 57.030 54.840 0.116 0.000 0.748 68 L CB -0.788 41.318 42.059 0.078 0.000 0.891 68 L HN 0.034 nan 8.230 nan 0.000 0.431 69 P HA -0.219 nan 4.420 nan 0.000 0.220 69 P C 1.401 178.713 177.300 0.019 0.000 1.148 69 P CA 1.529 64.475 63.100 -0.255 0.000 0.803 69 P CB -0.099 31.003 31.700 -0.997 0.000 0.782 70 K N -0.109 120.355 120.400 0.106 0.000 2.025 70 K HA -0.125 4.194 4.320 -0.003 0.000 0.207 70 K C 2.158 178.969 176.600 0.353 0.000 1.049 70 K CA 0.765 57.231 56.287 0.299 0.000 0.933 70 K CB -0.648 32.071 32.500 0.365 0.000 0.714 70 K HN -0.070 nan 8.250 nan 0.000 0.438 71 L N 0.836 122.293 121.223 0.391 0.000 2.081 71 L HA -0.161 4.178 4.340 -0.003 0.000 0.212 71 L C 1.865 178.739 176.870 0.008 0.000 1.080 71 L CA 1.746 56.657 54.840 0.119 0.000 0.754 71 L CB -0.449 41.483 42.059 -0.210 0.000 0.893 71 L HN 0.156 nan 8.230 nan 0.000 0.433 72 F N -0.684 119.314 119.950 0.079 0.000 2.206 72 F HA -0.063 4.462 4.527 -0.003 0.000 0.298 72 F C 2.700 178.527 175.800 0.046 0.000 1.090 72 F CA 1.363 59.388 58.000 0.043 0.000 1.323 72 F CB -0.449 38.530 39.000 -0.035 0.000 1.028 72 F HN 0.017 nan 8.300 nan 0.000 0.492 73 R N 0.958 121.600 120.500 0.238 0.000 2.120 73 R HA -0.147 4.191 4.340 -0.003 0.000 0.234 73 R C 1.056 177.433 176.300 0.127 0.000 1.123 73 R CA 1.536 57.738 56.100 0.170 0.000 0.975 73 R CB -0.234 30.173 30.300 0.179 0.000 0.866 73 R HN 0.340 nan 8.270 nan 0.000 0.446 74 E N -1.522 118.753 120.200 0.125 0.000 2.437 74 E HA 0.118 4.466 4.350 -0.003 0.000 0.189 74 E C 0.624 177.254 176.600 0.051 0.000 1.054 74 E CA 0.326 56.779 56.400 0.088 0.000 0.874 74 E CB 0.997 30.764 29.700 0.111 0.000 1.011 74 E HN 0.629 nan 8.360 nan 0.000 0.474 75 G N 1.184 110.009 108.800 0.041 0.000 2.699 75 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.198 75 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.198 75 G C -0.031 174.853 174.900 -0.026 0.000 1.033 75 G CA -0.427 44.682 45.100 0.016 0.000 0.728 75 G HN 0.373 nan 8.290 nan 0.000 0.484 76 Y N 2.395 122.547 120.300 -0.247 0.000 2.805 76 Y HA 0.392 4.941 4.550 -0.003 0.000 0.337 76 Y C 1.382 177.001 175.900 -0.469 0.000 1.252 76 Y CA 0.714 58.567 58.100 -0.412 0.000 1.515 76 Y CB 0.518 38.582 38.460 -0.660 0.000 1.305 76 Y HN 0.132 nan 8.280 nan 0.000 0.600 77 R N 3.783 123.702 120.500 -0.968 0.000 2.527 77 R HA 0.194 4.532 4.340 -0.003 0.000 0.402 77 R C 0.258 176.152 176.300 -0.677 0.000 0.933 77 R CA 0.292 56.006 56.100 -0.642 0.000 1.171 77 R CB 0.410 30.609 30.300 -0.169 0.000 1.612 77 R HN 0.847 nan 8.270 nan 0.000 0.546 78 G N 2.218 110.015 108.800 -1.671 0.000 2.616 78 G HA2 0.333 4.291 3.960 -0.003 0.000 0.268 78 G HA3 0.333 4.291 3.960 -0.003 0.000 0.268 78 G C -2.343 172.435 174.900 -0.205 0.000 1.213 78 G CA -0.724 43.880 45.100 -0.827 0.000 0.926 78 G HN -0.124 nan 8.290 nan 0.000 0.523 79 P HA 0.298 nan 4.420 nan 0.000 0.274 79 P C -0.844 176.487 177.300 0.052 0.000 1.237 79 P CA -0.291 62.806 63.100 -0.005 0.000 0.793 79 P CB 1.640 33.205 31.700 -0.225 0.000 0.977 80 V N 2.790 122.656 119.914 -0.080 0.000 2.443 80 V HA 0.268 4.386 4.120 -0.003 0.000 0.293 80 V C -0.664 175.343 176.094 -0.144 0.000 1.021 80 V CA -0.497 61.822 62.300 0.033 0.000 0.848 80 V CB 0.718 32.657 31.823 0.194 0.000 0.998 80 V HN 0.390 nan 8.190 nan 0.000 0.424 81 Y N 2.955 123.337 120.300 0.135 0.000 2.330 81 Y HA 0.811 5.359 4.550 -0.003 0.000 0.336 81 Y C 0.476 176.510 175.900 0.222 0.000 1.036 81 Y CA -0.296 57.877 58.100 0.122 0.000 1.125 81 Y CB 1.958 40.438 38.460 0.033 0.000 1.194 81 Y HN 0.787 nan 8.280 nan 0.000 0.469 82 A N 0.985 124.011 122.820 0.343 0.000 2.608 82 A HA 0.609 4.927 4.320 -0.003 0.000 0.292 82 A C -0.216 177.444 177.584 0.126 0.000 1.066 82 A CA -0.721 51.461 52.037 0.241 0.000 0.676 82 A CB 0.436 19.475 19.000 0.065 0.000 1.277 82 A HN 0.700 nan 8.150 nan 0.000 0.413 83 T N -0.943 113.566 114.554 -0.076 0.000 2.680 83 T HA 0.266 4.614 4.350 -0.003 0.000 0.314 83 T C 1.226 175.845 174.700 -0.135 0.000 1.045 83 T CA 0.542 62.554 62.100 -0.146 0.000 1.025 83 T CB 0.360 68.996 68.868 -0.386 0.000 1.000 83 T HN 0.794 nan 8.240 nan 0.000 0.535 84 R N 0.987 121.451 120.500 -0.060 0.000 2.070 84 R HA 0.029 4.367 4.340 -0.003 0.000 0.233 84 R C 2.668 178.831 176.300 -0.227 0.000 1.137 84 R CA 2.118 58.187 56.100 -0.052 0.000 0.945 84 R CB -1.534 28.830 30.300 0.106 0.000 0.845 84 R HN 0.847 nan 8.270 nan 0.000 0.430 85 A N -0.639 121.816 122.820 -0.608 0.000 1.873 85 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 85 A C 2.295 179.613 177.584 -0.444 0.000 1.193 85 A CA 2.441 54.023 52.037 -0.757 0.000 0.629 85 A CB -1.361 16.698 19.000 -1.568 0.000 0.826 85 A HN 0.502 nan 8.150 nan 0.000 0.447 86 T N -0.220 114.084 114.554 -0.417 0.000 2.665 86 T HA -0.157 4.191 4.350 -0.003 0.000 0.268 86 T C 1.877 176.483 174.700 -0.157 0.000 1.035 86 T CA 1.746 63.698 62.100 -0.247 0.000 1.151 86 T CB -0.585 68.150 68.868 -0.223 0.000 0.862 86 T HN 0.179 nan 8.240 nan 0.000 0.438 87 V N 1.426 121.258 119.914 -0.138 0.000 2.332 87 V HA -0.147 3.971 4.120 -0.003 0.000 0.248 87 V C 2.457 178.501 176.094 -0.082 0.000 1.055 87 V CA 1.550 63.798 62.300 -0.086 0.000 1.038 87 V CB -0.704 31.081 31.823 -0.064 0.000 0.651 87 V HN 0.442 nan 8.190 nan 0.000 0.450 88 L N -1.137 120.025 121.223 -0.101 0.000 2.072 88 L HA -0.107 4.232 4.340 -0.003 0.000 0.205 88 L C 2.382 179.217 176.870 -0.058 0.000 1.079 88 L CA 1.236 56.032 54.840 -0.073 0.000 0.752 88 L CB -0.437 41.577 42.059 -0.074 0.000 0.906 88 L HN 0.281 nan 8.230 nan 0.000 0.436 89 L N -0.840 120.335 121.223 -0.080 0.000 2.027 89 L HA -0.236 4.102 4.340 -0.003 0.000 0.206 89 L C 2.654 179.506 176.870 -0.030 0.000 1.074 89 L CA 1.248 56.061 54.840 -0.045 0.000 0.745 89 L CB -0.338 41.684 42.059 -0.063 0.000 0.898 89 L HN 0.318 nan 8.230 nan 0.000 0.433 90 M N -0.295 119.277 119.600 -0.047 0.000 2.331 90 M HA -0.293 4.185 4.480 -0.003 0.000 0.260 90 M C 2.043 178.325 176.300 -0.030 0.000 1.072 90 M CA 1.744 57.022 55.300 -0.036 0.000 1.065 90 M CB -0.024 32.548 32.600 -0.047 0.000 1.392 90 M HN 0.270 nan 8.290 nan 0.000 0.427 91 E N 0.401 120.583 120.200 -0.030 0.000 2.021 91 E HA -0.147 4.201 4.350 -0.003 0.000 0.189 91 E C 1.786 178.382 176.600 -0.006 0.000 0.980 91 E CA 1.246 57.632 56.400 -0.024 0.000 0.803 91 E CB -0.090 29.594 29.700 -0.026 0.000 0.766 91 E HN 0.579 nan 8.360 nan 0.000 0.449 92 I N 0.798 121.368 120.570 0.001 0.000 2.068 92 I HA -0.358 3.810 4.170 -0.003 0.000 0.238 92 I C 2.440 178.570 176.117 0.022 0.000 1.046 92 I CA 1.263 62.571 61.300 0.013 0.000 1.306 92 I CB -0.613 37.399 38.000 0.020 0.000 1.023 92 I HN 0.088 nan 8.210 nan 0.000 0.399 93 V N 0.648 120.577 119.914 0.024 0.000 2.250 93 V HA -0.322 3.796 4.120 -0.003 0.000 0.253 93 V C 2.412 178.535 176.094 0.049 0.000 1.065 93 V CA 2.030 64.354 62.300 0.039 0.000 1.039 93 V CB -0.672 31.172 31.823 0.034 0.000 0.647 93 V HN 0.314 nan 8.190 nan 0.000 0.446 94 L N -0.547 120.695 121.223 0.031 0.000 2.109 94 L HA -0.058 4.281 4.340 -0.003 0.000 0.207 94 L C 2.530 179.443 176.870 0.072 0.000 1.086 94 L CA 1.613 56.480 54.840 0.045 0.000 0.760 94 L CB -0.916 41.131 42.059 -0.019 0.000 0.910 94 L HN 0.327 nan 8.230 nan 0.000 0.437 95 E N -0.456 119.768 120.200 0.040 0.000 2.051 95 E HA -0.247 4.101 4.350 -0.003 0.000 0.192 95 E C 1.787 178.410 176.600 0.039 0.000 0.991 95 E CA 1.302 57.723 56.400 0.036 0.000 0.799 95 E CB -0.384 29.326 29.700 0.017 0.000 0.748 95 E HN 0.542 nan 8.360 nan 0.000 0.449 96 D N 0.953 121.377 120.400 0.039 0.000 2.087 96 D HA -0.151 4.487 4.640 -0.003 0.000 0.192 96 D C 1.807 178.132 176.300 0.043 0.000 0.993 96 D CA 1.684 55.706 54.000 0.038 0.000 0.828 96 D CB 0.031 40.858 40.800 0.044 0.000 0.968 96 D HN 0.056 nan 8.370 nan 0.000 0.448 97 A N 0.817 123.679 122.820 0.069 0.000 2.131 97 A HA -0.105 4.213 4.320 -0.003 0.000 0.220 97 A C 2.439 180.033 177.584 0.016 0.000 1.158 97 A CA 0.751 52.834 52.037 0.077 0.000 0.665 97 A CB -0.665 18.426 19.000 0.151 0.000 0.795 97 A HN 0.466 nan 8.150 nan 0.000 0.460 98 L N -1.639 119.602 121.223 0.029 0.000 2.307 98 L HA 0.033 4.372 4.340 -0.003 0.000 0.211 98 L C 2.351 179.172 176.870 -0.082 0.000 1.099 98 L CA 1.404 56.210 54.840 -0.056 0.000 0.816 98 L CB -0.165 41.928 42.059 0.056 0.000 0.952 98 L HN 0.445 nan 8.230 nan 0.000 0.455 99 K N -0.732 119.648 120.400 -0.033 0.000 2.202 99 K HA 0.048 4.366 4.320 -0.003 0.000 0.201 99 K C 0.255 176.838 176.600 -0.027 0.000 1.051 99 K CA 0.577 56.847 56.287 -0.029 0.000 0.977 99 K CB 0.614 33.108 32.500 -0.010 0.000 0.792 99 K HN 0.130 nan 8.250 nan 0.000 0.469 100 V N 2.920 122.825 119.914 -0.014 0.000 2.225 100 V HA 0.330 4.448 4.120 -0.003 0.000 0.264 100 V C -0.734 175.360 176.094 -0.001 0.000 1.067 100 V CA -0.357 61.943 62.300 -0.001 0.000 0.903 100 V CB 0.560 32.395 31.823 0.019 0.000 1.136 100 V HN 0.270 nan 8.190 nan 0.000 0.456 101 M N 1.831 121.415 119.600 -0.027 0.000 2.224 101 M HA 0.410 4.888 4.480 -0.003 0.000 0.281 101 M C 0.395 176.688 176.300 -0.010 0.000 1.025 101 M CA -0.462 54.825 55.300 -0.022 0.000 0.954 101 M CB 1.771 34.312 32.600 -0.098 0.000 1.639 101 M HN 0.403 nan 8.290 nan 0.000 0.461 102 D N 3.076 123.496 120.400 0.033 0.000 2.605 102 D HA -0.197 4.441 4.640 -0.003 0.000 0.219 102 D C -0.379 175.947 176.300 0.042 0.000 1.132 102 D CA 1.861 55.887 54.000 0.043 0.000 0.968 102 D CB 0.100 40.941 40.800 0.069 0.000 1.330 102 D HN 0.671 nan 8.370 nan 0.000 0.512 103 E N 1.627 121.887 120.200 0.101 0.000 2.145 103 E HA 0.288 4.637 4.350 -0.003 0.000 0.262 103 E C -2.295 174.435 176.600 0.217 0.000 0.883 103 E CA -1.718 54.768 56.400 0.144 0.000 0.748 103 E CB 2.267 32.060 29.700 0.156 0.000 1.140 103 E HN 0.185 nan 8.360 nan 0.000 0.417 104 P HA 0.017 nan 4.420 nan 0.000 0.271 104 P C -0.442 176.809 177.300 -0.083 0.000 1.216 104 P CA -0.061 62.890 63.100 -0.248 0.000 0.771 104 P CB 0.223 31.729 31.700 -0.325 0.000 0.864 105 F N 1.296 121.053 119.950 -0.322 0.000 2.724 105 F HA 0.500 5.025 4.527 -0.003 0.000 0.310 105 F C -0.282 175.528 175.800 0.015 0.000 1.107 105 F CA -1.104 56.729 58.000 -0.278 0.000 1.218 105 F CB -0.099 38.504 39.000 -0.661 0.000 1.042 105 F HN 0.110 nan 8.300 nan 0.000 0.540 106 F N -1.141 118.620 119.950 -0.314 0.000 2.703 106 F HA 0.873 5.398 4.527 -0.003 0.000 0.308 106 F C -0.195 175.508 175.800 -0.162 0.000 1.126 106 F CA -1.760 56.124 58.000 -0.193 0.000 0.959 106 F CB 0.664 39.529 39.000 -0.225 0.000 1.297 106 F HN 0.068 nan 8.300 nan 0.000 0.441 107 G N 0.394 109.286 108.800 0.154 0.000 2.671 107 G HA2 0.620 4.578 3.960 -0.003 0.000 0.275 107 G HA3 0.620 4.578 3.960 -0.003 0.000 0.275 107 G C -2.324 172.660 174.900 0.141 0.000 1.368 107 G CA -1.622 43.515 45.100 0.062 0.000 1.044 107 G HN 0.499 nan 8.290 nan 0.000 0.543 108 P HA -0.076 nan 4.420 nan 0.000 0.217 108 P C 1.368 178.693 177.300 0.043 0.000 1.151 108 P CA 1.289 64.422 63.100 0.054 0.000 0.828 108 P CB 0.174 31.887 31.700 0.021 0.000 0.788 109 E N 0.618 120.842 120.200 0.040 0.000 2.268 109 E HA -0.179 4.169 4.350 -0.003 0.000 0.195 109 E C 1.031 177.645 176.600 0.023 0.000 0.995 109 E CA 1.157 57.574 56.400 0.027 0.000 0.836 109 E CB -1.101 28.619 29.700 0.034 0.000 0.763 109 E HN 0.231 nan 8.360 nan 0.000 0.491 110 D N 0.767 121.200 120.400 0.054 0.000 2.289 110 D HA -0.011 4.627 4.640 -0.003 0.000 0.207 110 D C 2.047 178.296 176.300 -0.086 0.000 0.966 110 D CA 0.539 54.560 54.000 0.036 0.000 0.868 110 D CB 0.322 41.194 40.800 0.120 0.000 0.943 110 D HN 0.121 nan 8.370 nan 0.000 0.514 111 V N 0.883 120.766 119.914 -0.052 0.000 2.535 111 V HA -0.112 4.006 4.120 -0.003 0.000 0.246 111 V C 2.419 178.428 176.094 -0.142 0.000 1.045 111 V CA 1.052 63.281 62.300 -0.119 0.000 1.058 111 V CB -0.171 31.645 31.823 -0.013 0.000 0.689 111 V HN 0.134 nan 8.190 nan 0.000 0.461 112 E N 0.554 120.701 120.200 -0.088 0.000 2.031 112 E HA -0.309 4.040 4.350 -0.003 0.000 0.193 112 E C 2.142 178.664 176.600 -0.129 0.000 0.994 112 E CA 1.834 58.185 56.400 -0.082 0.000 0.800 112 E CB -0.004 29.673 29.700 -0.039 0.000 0.752 112 E HN 0.606 nan 8.360 nan 0.000 0.447 113 E N 0.529 120.636 120.200 -0.154 0.000 2.021 113 E HA -0.219 4.129 4.350 -0.003 0.000 0.200 113 E C 1.859 178.135 176.600 -0.540 0.000 1.015 113 E CA 1.886 58.166 56.400 -0.200 0.000 0.824 113 E CB -0.534 29.078 29.700 -0.146 0.000 0.762 113 E HN 0.352 nan 8.360 nan 0.000 0.454 114 A N 0.550 122.737 122.820 -1.055 0.000 1.903 114 A HA -0.221 4.097 4.320 -0.003 0.000 0.219 114 A C 2.421 179.664 177.584 -0.568 0.000 1.191 114 A CA 1.865 53.005 52.037 -1.496 0.000 0.638 114 A CB -0.977 17.455 19.000 -0.946 0.000 0.823 114 A HN 0.380 nan 8.150 nan 0.000 0.451 115 L N -0.919 120.110 121.223 -0.323 0.000 2.083 115 L HA -0.131 4.207 4.340 -0.003 0.000 0.209 115 L C 2.658 179.461 176.870 -0.111 0.000 1.083 115 L CA 1.009 55.749 54.840 -0.166 0.000 0.752 115 L CB -0.699 41.288 42.059 -0.120 0.000 0.899 115 L HN 0.525 nan 8.230 nan 0.000 0.433 116 G N -1.975 106.770 108.800 -0.092 0.000 2.708 116 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.210 116 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.210 116 G C 0.843 175.688 174.900 -0.093 0.000 1.141 116 G CA 0.273 45.336 45.100 -0.063 0.000 0.788 116 G HN 0.445 nan 8.290 nan 0.000 0.531 117 H N -0.947 118.034 119.070 -0.150 0.000 2.652 117 H HA 0.344 4.898 4.556 -0.003 0.000 0.274 117 H C 0.883 176.160 175.328 -0.085 0.000 1.021 117 H CA -0.604 55.403 56.048 -0.068 0.000 1.187 117 H CB 0.317 30.131 29.762 0.087 0.000 1.505 117 H HN 0.125 nan 8.280 nan 0.000 0.530 118 L N 1.861 123.081 121.223 -0.006 0.000 2.499 118 L HA 0.157 4.496 4.340 -0.003 0.000 0.273 118 L C 0.198 177.012 176.870 -0.094 0.000 1.195 118 L CA 0.618 55.431 54.840 -0.044 0.000 0.882 118 L CB 0.454 42.489 42.059 -0.039 0.000 1.133 118 L HN 0.169 nan 8.230 nan 0.000 0.483 119 R N 4.611 125.024 120.500 -0.145 0.000 2.575 119 R HA 0.404 4.743 4.340 -0.003 0.000 0.293 119 R C -2.489 173.818 176.300 0.011 0.000 0.983 119 R CA -1.812 54.212 56.100 -0.126 0.000 0.887 119 R CB 2.271 32.392 30.300 -0.299 0.000 1.184 119 R HN 0.375 nan 8.270 nan 0.000 0.445 120 P HA 0.104 nan 4.420 nan 0.000 0.271 120 P C -1.030 176.360 177.300 0.150 0.000 1.216 120 P CA -0.315 62.835 63.100 0.083 0.000 0.776 120 P CB 1.101 32.826 31.700 0.042 0.000 0.881 121 L N 2.111 123.424 121.223 0.150 0.000 2.661 121 L HA 0.355 4.693 4.340 -0.003 0.000 0.263 121 L C -0.660 176.269 176.870 0.098 0.000 0.956 121 L CA -0.234 54.669 54.840 0.105 0.000 0.918 121 L CB 1.491 43.594 42.059 0.075 0.000 1.280 121 L HN 0.174 nan 8.230 nan 0.000 0.416 122 E N 2.599 122.800 120.200 0.002 0.000 2.267 122 E HA 0.317 4.665 4.350 -0.003 0.000 0.258 122 E C -0.957 175.600 176.600 -0.071 0.000 1.074 122 E CA -0.631 55.716 56.400 -0.088 0.000 0.915 122 E CB 0.479 30.136 29.700 -0.071 0.000 1.186 122 E HN 0.417 nan 8.360 nan 0.000 0.439 123 Y N 0.215 120.542 120.300 0.044 0.000 2.810 123 Y HA 0.155 4.703 4.550 -0.003 0.000 0.332 123 Y C 1.817 177.650 175.900 -0.113 0.000 1.243 123 Y CA 1.573 59.650 58.100 -0.038 0.000 1.537 123 Y CB -0.286 38.139 38.460 -0.059 0.000 1.265 123 Y HN 0.790 nan 8.280 nan 0.000 0.572 124 G N 1.446 110.207 108.800 -0.065 0.000 2.234 124 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.260 124 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.260 124 G C 0.058 174.782 174.900 -0.294 0.000 0.987 124 G CA 0.151 45.140 45.100 -0.185 0.000 0.625 124 G HN 0.599 nan 8.290 nan 0.000 0.532 125 E N -0.541 119.507 120.200 -0.253 0.000 2.331 125 E HA 0.443 4.791 4.350 -0.003 0.000 0.272 125 E C -0.382 175.994 176.600 -0.373 0.000 1.036 125 E CA -0.644 55.644 56.400 -0.186 0.000 0.864 125 E CB 0.663 30.305 29.700 -0.098 0.000 1.035 125 E HN 0.376 nan 8.360 nan 0.000 0.408 126 W N 2.520 123.766 121.300 -0.089 0.000 2.449 126 W HA 0.378 5.036 4.660 -0.003 0.000 0.331 126 W C -0.489 175.933 176.519 -0.161 0.000 1.119 126 W CA -0.630 56.641 57.345 -0.123 0.000 1.240 126 W CB 0.734 30.144 29.460 -0.085 0.000 1.251 126 W HN 0.325 nan 8.180 nan 0.000 0.576 127 L N 3.119 124.339 121.223 -0.006 0.000 2.346 127 L HA 0.645 4.983 4.340 -0.003 0.000 0.276 127 L C -0.805 176.035 176.870 -0.051 0.000 1.006 127 L CA -1.211 53.538 54.840 -0.151 0.000 0.817 127 L CB 1.499 43.292 42.059 -0.444 0.000 1.272 127 L HN 0.455 nan 8.230 nan 0.000 0.421 128 R N 4.524 124.993 120.500 -0.051 0.000 2.409 128 R HA 0.736 5.074 4.340 -0.003 0.000 0.313 128 R C -1.725 174.560 176.300 -0.024 0.000 0.953 128 R CA -0.401 55.687 56.100 -0.020 0.000 0.849 128 R CB 0.995 31.292 30.300 -0.005 0.000 1.171 128 R HN 0.734 nan 8.270 nan 0.000 0.458 129 L N 4.390 125.602 121.223 -0.019 0.000 2.372 129 L HA 0.525 4.863 4.340 -0.003 0.000 0.274 129 L C 1.060 177.930 176.870 -0.001 0.000 0.988 129 L CA -0.583 54.255 54.840 -0.003 0.000 0.833 129 L CB 1.854 43.912 42.059 -0.002 0.000 1.236 129 L HN 0.941 nan 8.230 nan 0.000 0.410 130 G N 3.066 111.868 108.800 0.003 0.000 2.660 130 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.321 130 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.321 130 G C 0.593 175.489 174.900 -0.007 0.000 1.246 130 G CA 0.599 45.699 45.100 -0.001 0.000 1.000 130 G HN 0.954 nan 8.290 nan 0.000 0.550 131 A N -0.844 121.971 122.820 -0.008 0.000 2.610 131 A HA 0.695 5.013 4.320 -0.003 0.000 0.286 131 A C 0.288 177.865 177.584 -0.012 0.000 1.306 131 A CA 0.693 52.721 52.037 -0.014 0.000 0.942 131 A CB 0.028 19.019 19.000 -0.014 0.000 1.112 131 A HN 1.328 nan 8.150 nan 0.000 0.527 132 L N -0.345 120.874 121.223 -0.007 0.000 2.330 132 L HA 0.759 5.097 4.340 -0.003 0.000 0.271 132 L C -0.457 176.422 176.870 0.013 0.000 1.013 132 L CA -0.010 54.832 54.840 0.003 0.000 0.816 132 L CB 2.167 44.227 42.059 0.003 0.000 1.287 132 L HN 0.004 nan 8.230 nan 0.000 0.435 133 S N 3.913 119.643 115.700 0.050 0.000 2.614 133 S HA 0.829 5.297 4.470 -0.003 0.000 0.288 133 S C -1.295 173.449 174.600 0.241 0.000 1.137 133 S CA -0.424 57.856 58.200 0.132 0.000 0.992 133 S CB 1.430 64.672 63.200 0.071 0.000 1.026 133 S HN 0.384 nan 8.310 nan 0.000 0.486 134 L N 1.998 123.332 121.223 0.184 0.000 2.371 134 L HA 1.014 5.353 4.340 -0.003 0.000 0.262 134 L C -0.286 176.407 176.870 -0.296 0.000 1.006 134 L CA -0.490 54.349 54.840 -0.003 0.000 0.818 134 L CB 1.796 43.766 42.059 -0.148 0.000 1.354 134 L HN 0.795 nan 8.230 nan 0.000 0.415 135 A N 0.696 123.193 122.820 -0.538 0.000 2.566 135 A HA 0.806 5.124 4.320 -0.003 0.000 0.297 135 A C -1.608 175.669 177.584 -0.512 0.000 1.059 135 A CA -0.429 51.106 52.037 -0.836 0.000 0.691 135 A CB 0.837 18.820 19.000 -1.695 0.000 1.282 135 A HN 0.312 nan 8.150 nan 0.000 0.401 136 F N 0.837 120.551 119.950 -0.394 0.000 2.371 136 F HA 0.660 5.185 4.527 -0.003 0.000 0.329 136 F C 1.155 176.700 175.800 -0.426 0.000 1.107 136 F CA -0.151 57.653 58.000 -0.326 0.000 1.137 136 F CB 1.847 40.731 39.000 -0.194 0.000 1.214 136 F HN 0.748 nan 8.300 nan 0.000 0.536 137 G N 0.674 109.115 108.800 -0.598 0.000 2.519 137 G HA2 0.460 4.418 3.960 -0.003 0.000 0.307 137 G HA3 0.460 4.418 3.960 -0.003 0.000 0.307 137 G C -1.605 172.960 174.900 -0.559 0.000 1.266 137 G CA -0.754 43.718 45.100 -1.047 0.000 0.970 137 G HN 0.444 nan 8.290 nan 0.000 0.481 138 Q N 0.291 119.885 119.800 -0.344 0.000 2.271 138 Q HA 0.501 4.839 4.340 -0.003 0.000 0.273 138 Q C 0.776 176.855 176.000 0.131 0.000 1.051 138 Q CA 0.776 56.365 55.803 -0.356 0.000 0.901 138 Q CB 1.279 29.740 28.738 -0.462 0.000 1.174 138 Q HN 0.607 nan 8.270 nan 0.000 0.385 139 A N 3.532 126.392 122.820 0.067 0.000 2.140 139 A HA 0.388 4.706 4.320 -0.003 0.000 0.209 139 A C 1.420 178.950 177.584 -0.089 0.000 1.181 139 A CA 0.537 52.593 52.037 0.033 0.000 0.824 139 A CB -0.478 18.493 19.000 -0.049 0.000 0.879 139 A HN 1.393 nan 8.150 nan 0.000 0.480 140 G N -0.769 107.978 108.800 -0.088 0.000 2.212 140 G HA2 -0.399 3.559 3.960 -0.003 0.000 0.267 140 G HA3 -0.399 3.559 3.960 -0.003 0.000 0.267 140 G C 0.659 175.480 174.900 -0.130 0.000 1.002 140 G CA 1.425 46.462 45.100 -0.105 0.000 0.729 140 G HN 0.900 nan 8.290 nan 0.000 0.517 141 H N -1.245 117.655 119.070 -0.283 0.000 2.497 141 H HA 0.637 5.192 4.556 -0.003 0.000 0.282 141 H C 0.847 175.976 175.328 -0.331 0.000 1.003 141 H CA 1.326 57.149 56.048 -0.375 0.000 1.307 141 H CB 0.170 29.592 29.762 -0.567 0.000 1.437 141 H HN 0.467 nan 8.280 nan 0.000 0.544 142 L N -0.336 120.654 121.223 -0.388 0.000 2.622 142 L HA 0.398 4.736 4.340 -0.003 0.000 0.258 142 L C -2.643 174.072 176.870 -0.259 0.000 0.996 142 L CA -2.305 52.321 54.840 -0.357 0.000 0.858 142 L CB 2.101 43.952 42.059 -0.346 0.000 1.449 142 L HN -0.133 nan 8.230 nan 0.000 0.411 143 P HA 0.221 nan 4.420 nan 0.000 0.257 143 P C 0.450 177.461 177.300 -0.481 0.000 1.189 143 P CA 1.394 64.229 63.100 -0.442 0.000 0.780 143 P CB 0.257 31.579 31.700 -0.629 0.000 0.772 144 G N 2.369 110.941 108.800 -0.379 0.000 2.143 144 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.249 144 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.249 144 G C 0.378 175.126 174.900 -0.254 0.000 0.981 144 G CA 0.175 45.010 45.100 -0.441 0.000 0.665 144 G HN 0.753 nan 8.290 nan 0.000 0.528 145 S N -0.208 115.402 115.700 -0.150 0.000 2.576 145 S HA 0.839 5.307 4.470 -0.003 0.000 0.276 145 S C 0.362 174.909 174.600 -0.090 0.000 1.339 145 S CA 1.005 59.115 58.200 -0.150 0.000 1.039 145 S CB 1.945 65.022 63.200 -0.206 0.000 0.902 145 S HN 2.056 nan 8.310 nan 0.000 0.516 146 A N 2.142 124.845 122.820 -0.195 0.000 2.583 146 A HA 0.826 5.144 4.320 -0.003 0.000 0.289 146 A C -0.844 176.694 177.584 -0.077 0.000 1.151 146 A CA -1.054 50.889 52.037 -0.156 0.000 0.695 146 A CB 0.867 19.590 19.000 -0.462 0.000 1.290 146 A HN 1.418 nan 8.150 nan 0.000 0.419 147 F N -0.719 119.214 119.950 -0.028 0.000 2.556 147 F HA 0.839 5.364 4.527 -0.003 0.000 0.327 147 F C -0.701 175.224 175.800 0.208 0.000 1.059 147 F CA -1.231 56.765 58.000 -0.006 0.000 0.953 147 F CB 1.299 40.346 39.000 0.078 0.000 1.227 147 F HN 0.306 nan 8.300 nan 0.000 0.478 148 V N 2.813 122.974 119.914 0.412 0.000 2.547 148 V HA 0.592 4.710 4.120 -0.003 0.000 0.299 148 V C -0.485 175.819 176.094 0.350 0.000 1.040 148 V CA -0.836 61.675 62.300 0.352 0.000 0.913 148 V CB 1.554 33.620 31.823 0.406 0.000 0.992 148 V HN 0.766 nan 8.190 nan 0.000 0.449 149 V N 3.317 123.336 119.914 0.175 0.000 2.540 149 V HA 0.875 4.993 4.120 -0.003 0.000 0.302 149 V C 0.026 176.208 176.094 0.147 0.000 1.035 149 V CA -0.389 62.025 62.300 0.191 0.000 0.873 149 V CB 1.720 33.636 31.823 0.156 0.000 0.992 149 V HN 1.040 nan 8.190 nan 0.000 0.428 150 A N 4.265 127.188 122.820 0.172 0.000 2.398 150 A HA 0.827 5.145 4.320 -0.003 0.000 0.301 150 A C -1.018 176.650 177.584 0.140 0.000 1.041 150 A CA -0.559 51.567 52.037 0.149 0.000 0.711 150 A CB 1.989 21.051 19.000 0.103 0.000 1.240 150 A HN 0.625 nan 8.150 nan 0.000 0.420 151 Q N 1.669 121.552 119.800 0.139 0.000 2.323 151 Q HA 0.677 5.015 4.340 -0.003 0.000 0.271 151 Q C -0.748 175.272 176.000 0.033 0.000 1.048 151 Q CA -0.222 55.627 55.803 0.077 0.000 0.792 151 Q CB 2.123 30.898 28.738 0.061 0.000 1.280 151 Q HN 1.566 nan 8.270 nan 0.000 0.441 152 G N 1.815 110.623 108.800 0.014 0.000 2.556 152 G HA2 0.339 4.297 3.960 -0.003 0.000 0.294 152 G HA3 0.339 4.297 3.960 -0.003 0.000 0.294 152 G C -1.027 173.870 174.900 -0.005 0.000 1.516 152 G CA -0.343 44.757 45.100 -0.001 0.000 0.824 152 G HN 0.691 nan 8.290 nan 0.000 0.535 153 E N -0.927 119.266 120.200 -0.012 0.000 2.722 153 E HA -0.244 4.104 4.350 -0.003 0.000 0.265 153 E C 1.472 178.066 176.600 -0.011 0.000 1.081 153 E CA 1.545 57.938 56.400 -0.011 0.000 0.781 153 E CB -1.279 28.417 29.700 -0.007 0.000 1.372 153 E HN 2.472 nan 8.360 nan 0.000 0.423 154 G N -0.523 108.269 108.800 -0.014 0.000 2.162 154 G HA2 -0.362 3.597 3.960 -0.003 0.000 0.260 154 G HA3 -0.362 3.597 3.960 -0.003 0.000 0.260 154 G C 0.156 175.052 174.900 -0.007 0.000 0.976 154 G CA 0.624 45.716 45.100 -0.014 0.000 0.655 154 G HN 0.149 nan 8.290 nan 0.000 0.533 155 R N -0.321 120.179 120.500 -0.001 0.000 2.832 155 R HA 0.817 5.155 4.340 -0.003 0.000 0.271 155 R C -0.685 175.627 176.300 0.020 0.000 0.996 155 R CA -0.392 55.712 56.100 0.007 0.000 0.977 155 R CB 1.283 31.587 30.300 0.006 0.000 1.168 155 R HN 0.131 nan 8.270 nan 0.000 0.482 156 T N 1.727 116.298 114.554 0.028 0.000 2.928 156 T HA 0.426 4.774 4.350 -0.003 0.000 0.296 156 T C -0.987 173.748 174.700 0.057 0.000 1.000 156 T CA -0.583 61.548 62.100 0.051 0.000 0.989 156 T CB 1.488 70.389 68.868 0.055 0.000 1.005 156 T HN 0.375 nan 8.240 nan 0.000 0.442 157 L N 3.784 125.055 121.223 0.081 0.000 2.333 157 L HA 0.943 5.282 4.340 -0.003 0.000 0.269 157 L C -1.468 175.490 176.870 0.146 0.000 1.010 157 L CA -0.615 54.280 54.840 0.092 0.000 0.818 157 L CB 1.848 43.956 42.059 0.082 0.000 1.306 157 L HN 0.451 nan 8.230 nan 0.000 0.430 158 V N 4.491 124.506 119.914 0.169 0.000 2.524 158 V HA 0.308 4.427 4.120 -0.003 0.000 0.297 158 V C -1.239 175.062 176.094 0.345 0.000 1.035 158 V CA -0.453 62.003 62.300 0.259 0.000 0.867 158 V CB 1.326 33.254 31.823 0.174 0.000 1.004 158 V HN 0.742 nan 8.190 nan 0.000 0.426 159 Y N 4.069 124.528 120.300 0.264 0.000 2.328 159 Y HA 0.365 4.914 4.550 -0.003 0.000 0.337 159 Y C 1.495 177.599 175.900 0.340 0.000 1.008 159 Y CA 0.088 58.323 58.100 0.225 0.000 1.129 159 Y CB 2.130 40.702 38.460 0.186 0.000 1.185 159 Y HN 0.740 nan 8.280 nan 0.000 0.476 160 S N 4.005 119.702 115.700 -0.006 0.000 2.436 160 S HA 0.239 4.707 4.470 -0.003 0.000 0.228 160 S C 1.238 175.496 174.600 -0.569 0.000 1.014 160 S CA 0.539 58.575 58.200 -0.273 0.000 0.950 160 S CB -0.662 62.285 63.200 -0.421 0.000 0.784 160 S HN 1.442 nan 8.310 nan 0.000 0.504 161 G N 1.526 109.676 108.800 -1.083 0.000 2.564 161 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.273 161 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.273 161 G C -1.104 173.567 174.900 -0.382 0.000 1.242 161 G CA 0.268 44.984 45.100 -0.639 0.000 0.951 161 G HN 0.516 nan 8.290 nan 0.000 0.564 162 D N 0.937 121.063 120.400 -0.458 0.000 2.280 162 D HA 0.568 5.206 4.640 -0.003 0.000 0.236 162 D C 0.574 176.504 176.300 -0.617 0.000 1.082 162 D CA -0.482 53.125 54.000 -0.654 0.000 0.834 162 D CB 1.217 41.319 40.800 -1.164 0.000 1.100 162 D HN 0.338 nan 8.370 nan 0.000 0.486 163 L N 1.615 122.524 121.223 -0.524 0.000 2.395 163 L HA 0.501 4.839 4.340 -0.003 0.000 0.269 163 L C 1.279 177.975 176.870 -0.290 0.000 1.133 163 L CA -0.267 54.283 54.840 -0.482 0.000 0.812 163 L CB 0.998 42.686 42.059 -0.618 0.000 1.125 163 L HN 0.334 nan 8.230 nan 0.000 0.452 164 G N 0.943 109.620 108.800 -0.204 0.000 2.462 164 G HA2 0.162 4.121 3.960 -0.003 0.000 0.319 164 G HA3 0.162 4.121 3.960 -0.003 0.000 0.319 164 G C -0.108 174.733 174.900 -0.099 0.000 1.171 164 G CA -0.630 44.401 45.100 -0.115 0.000 0.920 164 G HN 0.749 nan 8.290 nan 0.000 0.499 165 N N 0.083 118.725 118.700 -0.096 0.000 2.421 165 N HA 0.011 4.749 4.740 -0.003 0.000 0.260 165 N C 1.709 177.158 175.510 -0.101 0.000 1.173 165 N CA -0.337 52.661 53.050 -0.086 0.000 0.960 165 N CB 0.372 38.763 38.487 -0.160 0.000 1.273 165 N HN 0.578 nan 8.380 nan 0.000 0.497 166 R N 2.780 123.245 120.500 -0.058 0.000 2.119 166 R HA -0.204 4.134 4.340 -0.003 0.000 0.246 166 R C 0.764 177.017 176.300 -0.078 0.000 1.146 166 R CA 1.686 57.754 56.100 -0.054 0.000 0.962 166 R CB 0.047 30.340 30.300 -0.011 0.000 0.863 166 R HN 0.660 nan 8.270 nan 0.000 0.442 167 E N 0.210 120.367 120.200 -0.071 0.000 2.526 167 E HA -0.059 4.289 4.350 -0.003 0.000 0.198 167 E C -0.187 176.222 176.600 -0.318 0.000 1.091 167 E CA 0.377 56.728 56.400 -0.080 0.000 0.880 167 E CB 0.214 29.935 29.700 0.036 0.000 0.873 167 E HN 0.358 nan 8.360 nan 0.000 0.527 168 K N 0.155 120.295 120.400 -0.432 0.000 2.148 168 K HA 0.144 4.462 4.320 -0.003 0.000 0.239 168 K C 0.195 176.526 176.600 -0.449 0.000 1.018 168 K CA -0.569 55.248 56.287 -0.784 0.000 0.923 168 K CB 0.745 32.919 32.500 -0.545 0.000 1.117 168 K HN -0.163 nan 8.250 nan 0.000 0.477 169 D N -0.182 119.995 120.400 -0.372 0.000 2.431 169 D HA -0.010 4.629 4.640 -0.003 0.000 0.227 169 D C 1.756 178.043 176.300 -0.021 0.000 1.030 169 D CA 0.465 54.425 54.000 -0.067 0.000 0.897 169 D CB 0.215 41.097 40.800 0.138 0.000 1.058 169 D HN 0.123 nan 8.370 nan 0.000 0.500 170 V N 1.276 121.169 119.914 -0.036 0.000 2.307 170 V HA -0.093 4.025 4.120 -0.003 0.000 0.245 170 V C 1.053 177.200 176.094 0.089 0.000 1.045 170 V CA 0.999 63.271 62.300 -0.046 0.000 1.024 170 V CB -0.096 31.787 31.823 0.100 0.000 0.651 170 V HN 0.117 nan 8.190 nan 0.000 0.449 171 L N 0.963 122.219 121.223 0.054 0.000 2.360 171 L HA 0.465 4.803 4.340 -0.003 0.000 0.271 171 L C -2.221 174.649 176.870 -0.000 0.000 1.057 171 L CA -2.162 52.708 54.840 0.050 0.000 0.803 171 L CB 0.472 42.517 42.059 -0.024 0.000 1.207 171 L HN 0.102 nan 8.230 nan 0.000 0.445 172 P HA 0.053 nan 4.420 nan 0.000 0.272 172 P C -0.725 176.547 177.300 -0.048 0.000 1.223 172 P CA -0.456 62.628 63.100 -0.026 0.000 0.784 172 P CB 0.810 32.483 31.700 -0.044 0.000 0.923 173 D N 2.147 122.524 120.400 -0.037 0.000 2.399 173 D HA 0.138 4.776 4.640 -0.003 0.000 0.241 173 D C -1.996 174.288 176.300 -0.026 0.000 1.133 173 D CA -0.595 53.386 54.000 -0.032 0.000 0.890 173 D CB -0.426 40.366 40.800 -0.012 0.000 1.201 173 D HN 0.226 nan 8.370 nan 0.000 0.432 174 P HA 0.048 nan 4.420 nan 0.000 0.271 174 P C -0.336 177.036 177.300 0.120 0.000 1.216 174 P CA -0.119 62.996 63.100 0.026 0.000 0.771 174 P CB 0.777 32.451 31.700 -0.044 0.000 0.864 175 S N 2.960 118.786 115.700 0.211 0.000 2.610 175 S HA 0.382 4.850 4.470 -0.003 0.000 0.273 175 S C -0.079 174.702 174.600 0.302 0.000 1.274 175 S CA -0.667 57.674 58.200 0.236 0.000 1.023 175 S CB -0.011 63.333 63.200 0.240 0.000 0.962 175 S HN 0.220 nan 8.310 nan 0.000 0.523 176 L N 4.457 125.746 121.223 0.111 0.000 2.436 176 L HA 0.434 4.773 4.340 -0.003 0.000 0.265 176 L C -1.658 175.079 176.870 -0.221 0.000 1.168 176 L CA -1.715 53.035 54.840 -0.149 0.000 0.815 176 L CB 0.469 42.444 42.059 -0.141 0.000 1.109 176 L HN 0.598 nan 8.230 nan 0.000 0.462 177 P HA 0.372 nan 4.420 nan 0.000 0.281 177 P C -2.666 174.490 177.300 -0.239 0.000 1.264 177 P CA -1.461 61.332 63.100 -0.513 0.000 0.824 177 P CB 0.684 31.683 31.700 -1.168 0.000 1.092 178 P HA 0.246 nan 4.420 nan 0.000 0.297 178 P C -0.574 176.682 177.300 -0.073 0.000 1.303 178 P CA -0.470 62.618 63.100 -0.019 0.000 0.753 178 P CB 0.453 32.200 31.700 0.078 0.000 1.281 179 L N 0.023 121.224 121.223 -0.038 0.000 2.278 179 L HA 0.537 4.875 4.340 -0.003 0.000 0.287 179 L C -0.339 176.518 176.870 -0.022 0.000 1.072 179 L CA -0.092 54.719 54.840 -0.047 0.000 0.819 179 L CB -0.333 41.707 42.059 -0.032 0.000 1.176 179 L HN 0.507 nan 8.230 nan 0.000 0.435 180 A N 3.845 126.647 122.820 -0.032 0.000 2.380 180 A HA 0.459 4.778 4.320 -0.003 0.000 0.315 180 A C 0.408 177.988 177.584 -0.006 0.000 1.101 180 A CA -0.566 51.469 52.037 -0.003 0.000 0.771 180 A CB 0.764 19.772 19.000 0.013 0.000 1.287 180 A HN 0.804 nan 8.150 nan 0.000 0.436 181 D N -0.123 120.280 120.400 0.005 0.000 2.103 181 D HA -0.033 4.605 4.640 -0.003 0.000 0.199 181 D C 0.082 176.383 176.300 0.003 0.000 0.978 181 D CA 1.381 55.382 54.000 0.001 0.000 0.829 181 D CB 0.140 40.942 40.800 0.003 0.000 0.981 181 D HN 0.289 nan 8.370 nan 0.000 0.464 182 L N 0.609 121.840 121.223 0.013 0.000 2.346 182 L HA 0.368 4.706 4.340 -0.003 0.000 0.274 182 L C -1.224 175.668 176.870 0.036 0.000 1.007 182 L CA -0.643 54.207 54.840 0.018 0.000 0.818 182 L CB 2.441 44.508 42.059 0.014 0.000 1.284 182 L HN -0.312 nan 8.230 nan 0.000 0.424 183 V N 5.555 125.495 119.914 0.043 0.000 2.488 183 V HA 0.347 4.465 4.120 -0.003 0.000 0.293 183 V C -0.721 175.437 176.094 0.107 0.000 1.027 183 V CA -0.456 61.894 62.300 0.083 0.000 0.862 183 V CB 1.615 33.467 31.823 0.049 0.000 1.008 183 V HN 0.587 nan 8.190 nan 0.000 0.428 184 L N 5.364 126.674 121.223 0.144 0.000 2.302 184 L HA 0.801 5.139 4.340 -0.003 0.000 0.285 184 L C 0.431 177.436 176.870 0.225 0.000 1.090 184 L CA 0.416 55.325 54.840 0.114 0.000 0.866 184 L CB 0.538 42.595 42.059 -0.004 0.000 1.244 184 L HN 0.771 nan 8.230 nan 0.000 0.435 185 A N 3.891 126.814 122.820 0.172 0.000 2.356 185 A HA 0.700 5.018 4.320 -0.003 0.000 0.323 185 A C -0.406 177.245 177.584 0.113 0.000 1.119 185 A CA -0.721 51.411 52.037 0.159 0.000 0.790 185 A CB 0.901 20.021 19.000 0.201 0.000 1.273 185 A HN 0.736 nan 8.150 nan 0.000 0.452 186 E N 0.202 120.434 120.200 0.052 0.000 2.376 186 E HA 0.568 4.917 4.350 -0.003 0.000 0.254 186 E C 0.393 177.018 176.600 0.042 0.000 1.213 186 E CA -0.130 56.306 56.400 0.060 0.000 0.945 186 E CB 0.645 30.285 29.700 -0.100 0.000 1.057 186 E HN 0.866 nan 8.360 nan 0.000 0.479 187 G N 0.134 108.971 108.800 0.063 0.000 5.569 187 G HA2 0.025 3.983 3.960 -0.003 0.000 0.192 187 G HA3 0.025 3.983 3.960 -0.003 0.000 0.192 187 G C 0.342 175.254 174.900 0.020 0.000 0.708 187 G CA -0.051 45.077 45.100 0.047 0.000 0.628 187 G HN 0.443 nan 8.290 nan 0.000 0.345 188 T N 0.218 114.770 114.554 -0.003 0.000 2.802 188 T HA -0.179 4.169 4.350 -0.003 0.000 0.269 188 T C 0.787 175.253 174.700 -0.390 0.000 1.062 188 T CA 1.457 63.444 62.100 -0.189 0.000 1.133 188 T CB -0.180 68.484 68.868 -0.340 0.000 0.852 188 T HN 0.447 nan 8.240 nan 0.000 0.485 189 Y N -0.444 119.799 120.300 -0.095 0.000 2.629 189 Y HA 0.502 5.050 4.550 -0.003 0.000 0.282 189 Y C 1.477 177.334 175.900 -0.071 0.000 0.994 189 Y CA -1.237 56.809 58.100 -0.090 0.000 1.126 189 Y CB 0.210 38.599 38.460 -0.118 0.000 1.187 189 Y HN 0.090 nan 8.280 nan 0.000 0.600 190 G N -0.117 108.716 108.800 0.056 0.000 2.956 190 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.207 190 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.207 190 G C 0.980 175.898 174.900 0.032 0.000 1.162 190 G CA 0.790 45.915 45.100 0.042 0.000 0.796 190 G HN 0.465 nan 8.290 nan 0.000 0.527 191 D N -0.261 120.159 120.400 0.034 0.000 2.355 191 D HA 0.102 4.740 4.640 -0.003 0.000 0.206 191 D C 1.000 177.325 176.300 0.042 0.000 1.010 191 D CA -0.027 53.992 54.000 0.033 0.000 0.875 191 D CB 0.299 41.117 40.800 0.029 0.000 0.966 191 D HN 0.422 nan 8.370 nan 0.000 0.512 192 R N -1.545 118.982 120.500 0.046 0.000 2.739 192 R HA 0.446 4.785 4.340 -0.003 0.000 0.266 192 R C -3.198 173.076 176.300 -0.042 0.000 1.044 192 R CA -1.281 54.836 56.100 0.028 0.000 0.885 192 R CB -0.411 29.927 30.300 0.062 0.000 1.260 192 R HN -0.227 nan 8.270 nan 0.000 0.477 193 P HA 0.239 nan 4.420 nan 0.000 0.277 193 P C -0.696 176.499 177.300 -0.175 0.000 1.271 193 P CA -0.185 62.819 63.100 -0.159 0.000 0.795 193 P CB 0.542 32.217 31.700 -0.041 0.000 1.101 194 H N -0.285 118.811 119.070 0.043 0.000 2.497 194 H HA 0.295 4.849 4.556 -0.003 0.000 0.331 194 H C 0.597 175.970 175.328 0.074 0.000 1.457 194 H CA -0.389 55.691 56.048 0.054 0.000 1.459 194 H CB 0.539 30.307 29.762 0.009 0.000 1.728 194 H HN 0.379 nan 8.280 nan 0.000 0.691 195 R N 0.695 121.342 120.500 0.246 0.000 2.204 195 R HA 0.329 4.667 4.340 -0.003 0.000 0.341 195 R C -2.889 173.493 176.300 0.136 0.000 1.035 195 R CA -1.843 54.353 56.100 0.160 0.000 0.887 195 R CB -0.047 30.343 30.300 0.150 0.000 1.114 195 R HN 0.136 nan 8.270 nan 0.000 0.473 196 P HA -0.231 nan 4.420 nan 0.000 0.247 196 P C -0.225 177.135 177.300 0.100 0.000 1.103 196 P CA 0.764 63.929 63.100 0.108 0.000 0.797 196 P CB -0.126 31.622 31.700 0.080 0.000 0.710 197 Y N 5.876 126.165 120.300 -0.018 0.000 2.283 197 Y HA -0.359 4.189 4.550 -0.003 0.000 0.285 197 Y C 2.084 177.953 175.900 -0.053 0.000 1.176 197 Y CA 1.496 59.547 58.100 -0.082 0.000 1.229 197 Y CB -0.033 38.358 38.460 -0.114 0.000 0.975 197 Y HN 0.252 nan 8.280 nan 0.000 0.537 198 R N 0.585 121.134 120.500 0.080 0.000 2.168 198 R HA -0.283 4.055 4.340 -0.003 0.000 0.242 198 R C 2.115 178.372 176.300 -0.072 0.000 1.123 198 R CA 2.490 58.609 56.100 0.032 0.000 0.928 198 R CB -1.161 29.172 30.300 0.055 0.000 0.873 198 R HN 0.713 nan 8.270 nan 0.000 0.434 199 E N 0.132 120.301 120.200 -0.052 0.000 2.230 199 E HA -0.035 4.314 4.350 -0.003 0.000 0.192 199 E C 1.574 178.121 176.600 -0.088 0.000 0.987 199 E CA 1.108 57.477 56.400 -0.052 0.000 0.841 199 E CB -0.376 29.322 29.700 -0.003 0.000 0.783 199 E HN 0.172 nan 8.360 nan 0.000 0.481 200 T N 1.391 115.857 114.554 -0.146 0.000 2.822 200 T HA -0.139 4.209 4.350 -0.003 0.000 0.270 200 T C 1.985 176.575 174.700 -0.184 0.000 1.064 200 T CA 1.517 63.529 62.100 -0.147 0.000 1.131 200 T CB -0.219 68.487 68.868 -0.270 0.000 0.858 200 T HN 0.085 nan 8.240 nan 0.000 0.483 201 V N 1.039 120.724 119.914 -0.382 0.000 2.283 201 V HA -0.118 4.001 4.120 -0.003 0.000 0.243 201 V C 2.536 178.593 176.094 -0.061 0.000 1.039 201 V CA 1.417 63.564 62.300 -0.255 0.000 1.016 201 V CB -0.629 30.980 31.823 -0.356 0.000 0.650 201 V HN 0.279 nan 8.190 nan 0.000 0.449 202 R N 0.408 120.846 120.500 -0.103 0.000 2.122 202 R HA -0.266 4.072 4.340 -0.003 0.000 0.236 202 R C 2.456 178.731 176.300 -0.041 0.000 1.129 202 R CA 2.386 58.440 56.100 -0.077 0.000 0.925 202 R CB -0.589 29.678 30.300 -0.054 0.000 0.850 202 R HN 0.674 nan 8.270 nan 0.000 0.431 203 E N -0.129 120.072 120.200 0.002 0.000 2.118 203 E HA -0.252 4.096 4.350 -0.003 0.000 0.195 203 E C 1.788 178.406 176.600 0.030 0.000 0.992 203 E CA 1.436 57.844 56.400 0.014 0.000 0.804 203 E CB -0.166 29.566 29.700 0.054 0.000 0.741 203 E HN 0.379 nan 8.360 nan 0.000 0.458 204 F N 0.983 120.921 119.950 -0.021 0.000 2.102 204 F HA -0.178 4.348 4.527 -0.002 0.000 0.298 204 F C 1.872 177.640 175.800 -0.054 0.000 1.105 204 F CA 1.315 59.320 58.000 0.008 0.000 1.239 204 F CB -0.041 39.075 39.000 0.193 0.000 0.991 204 F HN -0.010 nan 8.300 nan 0.000 0.474 205 L N 0.270 121.358 121.223 -0.226 0.000 2.046 205 L HA -0.205 4.134 4.340 -0.003 0.000 0.208 205 L C 2.378 179.078 176.870 -0.283 0.000 1.077 205 L CA 1.679 56.317 54.840 -0.338 0.000 0.747 205 L CB -0.985 40.932 42.059 -0.237 0.000 0.896 205 L HN 0.210 nan 8.230 nan 0.000 0.432 206 E N 0.681 120.763 120.200 -0.197 0.000 2.023 206 E HA -0.248 4.101 4.350 -0.003 0.000 0.196 206 E C 2.239 178.715 176.600 -0.206 0.000 1.003 206 E CA 1.570 57.872 56.400 -0.164 0.000 0.809 206 E CB -0.264 29.365 29.700 -0.118 0.000 0.755 206 E HN 0.461 nan 8.360 nan 0.000 0.449 207 I N 1.115 121.525 120.570 -0.267 0.000 2.423 207 I HA -0.218 3.950 4.170 -0.003 0.000 0.254 207 I C 1.495 177.436 176.117 -0.293 0.000 1.151 207 I CA 0.522 61.625 61.300 -0.328 0.000 1.421 207 I CB -0.087 37.619 38.000 -0.490 0.000 1.079 207 I HN 0.146 nan 8.210 nan 0.000 0.431 208 L N 0.924 121.926 121.223 -0.369 0.000 2.779 208 L HA 0.121 4.459 4.340 -0.003 0.000 0.239 208 L C 1.093 177.829 176.870 -0.222 0.000 1.245 208 L CA 1.142 55.770 54.840 -0.354 0.000 1.064 208 L CB -0.973 40.732 42.059 -0.589 0.000 1.350 208 L HN 0.409 nan 8.230 nan 0.000 0.455 209 E N -1.098 119.001 120.200 -0.169 0.000 3.297 209 E HA -0.068 4.280 4.350 -0.003 0.000 0.232 209 E C 1.301 177.847 176.600 -0.090 0.000 1.143 209 E CA -0.155 56.175 56.400 -0.116 0.000 1.741 209 E CB 0.359 29.995 29.700 -0.108 0.000 1.925 209 E HN -0.032 nan 8.360 nan 0.000 0.924 210 K N 1.773 122.118 120.400 -0.092 0.000 2.152 210 K HA -0.115 4.203 4.320 -0.003 0.000 0.206 210 K C 1.965 178.533 176.600 -0.053 0.000 1.048 210 K CA 2.395 58.642 56.287 -0.066 0.000 0.933 210 K CB -0.479 31.984 32.500 -0.063 0.000 0.721 210 K HN 0.275 nan 8.250 nan 0.000 0.447 211 T N -1.506 113.009 114.554 -0.065 0.000 2.939 211 T HA -0.021 4.328 4.350 -0.003 0.000 0.254 211 T C 1.785 176.458 174.700 -0.044 0.000 1.041 211 T CA 0.817 62.890 62.100 -0.046 0.000 1.142 211 T CB -0.469 68.371 68.868 -0.047 0.000 0.874 211 T HN 0.282 nan 8.240 nan 0.000 0.452 212 L N -0.144 121.046 121.223 -0.056 0.000 2.558 212 L HA 0.439 4.777 4.340 -0.003 0.000 0.225 212 L C 2.263 179.111 176.870 -0.037 0.000 1.128 212 L CA 0.087 54.901 54.840 -0.044 0.000 0.868 212 L CB -0.596 41.435 42.059 -0.047 0.000 1.006 212 L HN 0.072 nan 8.230 nan 0.000 0.454 213 S N 0.880 116.555 115.700 -0.041 0.000 2.436 213 S HA -0.099 4.370 4.470 -0.003 0.000 0.228 213 S C 1.531 176.115 174.600 -0.027 0.000 1.014 213 S CA 1.091 59.271 58.200 -0.035 0.000 0.950 213 S CB -0.150 63.027 63.200 -0.039 0.000 0.784 213 S HN 0.725 nan 8.310 nan 0.000 0.504 214 Q N 0.363 120.147 119.800 -0.026 0.000 2.242 214 Q HA 0.452 4.790 4.340 -0.003 0.000 0.246 214 Q C 0.949 176.939 176.000 -0.018 0.000 0.883 214 Q CA 0.306 56.097 55.803 -0.020 0.000 0.984 214 Q CB -0.137 28.590 28.738 -0.018 0.000 1.096 214 Q HN 0.325 nan 8.270 nan 0.000 0.452 215 G N 0.170 108.959 108.800 -0.018 0.000 2.196 215 G HA2 -0.356 3.602 3.960 -0.003 0.000 0.268 215 G HA3 -0.356 3.602 3.960 -0.003 0.000 0.268 215 G C 0.538 175.427 174.900 -0.019 0.000 0.975 215 G CA 0.032 45.122 45.100 -0.016 0.000 0.648 215 G HN 0.763 nan 8.290 nan 0.000 0.538 216 G N -0.581 108.207 108.800 -0.021 0.000 2.683 216 G HA2 0.469 4.427 3.960 -0.003 0.000 0.260 216 G HA3 0.469 4.427 3.960 -0.003 0.000 0.260 216 G C 0.051 174.934 174.900 -0.029 0.000 1.238 216 G CA 0.071 45.157 45.100 -0.023 0.000 0.934 216 G HN 0.515 nan 8.290 nan 0.000 0.534 217 K N -1.137 119.243 120.400 -0.033 0.000 2.259 217 K HA 0.509 4.827 4.320 -0.003 0.000 0.252 217 K C -1.191 175.383 176.600 -0.044 0.000 0.936 217 K CA -0.715 55.545 56.287 -0.045 0.000 0.810 217 K CB 2.767 35.230 32.500 -0.061 0.000 1.143 217 K HN 0.153 nan 8.250 nan 0.000 0.427 218 V N 4.277 124.163 119.914 -0.047 0.000 2.284 218 V HA 0.193 4.311 4.120 -0.003 0.000 0.274 218 V C -0.884 175.184 176.094 -0.043 0.000 1.023 218 V CA -0.849 61.424 62.300 -0.044 0.000 0.808 218 V CB 0.620 32.411 31.823 -0.053 0.000 1.035 218 V HN 0.523 nan 8.190 nan 0.000 0.445 219 L N 6.048 127.236 121.223 -0.059 0.000 2.290 219 L HA 0.519 4.857 4.340 -0.003 0.000 0.284 219 L C -0.064 176.767 176.870 -0.064 0.000 1.078 219 L CA 0.168 54.971 54.840 -0.062 0.000 0.815 219 L CB 1.012 43.038 42.059 -0.055 0.000 1.162 219 L HN 0.439 nan 8.230 nan 0.000 0.435 220 I N 5.876 126.426 120.570 -0.033 0.000 2.448 220 I HA 0.289 4.458 4.170 -0.003 0.000 0.281 220 I C -2.273 173.821 176.117 -0.039 0.000 1.027 220 I CA -1.723 59.548 61.300 -0.048 0.000 1.111 220 I CB 2.140 40.136 38.000 -0.007 0.000 1.236 220 I HN 0.403 nan 8.210 nan 0.000 0.452 221 P HA 0.137 nan 4.420 nan 0.000 0.276 221 P C -0.543 176.681 177.300 -0.127 0.000 1.264 221 P CA 0.090 63.162 63.100 -0.047 0.000 0.769 221 P CB 0.703 32.406 31.700 0.005 0.000 0.840 222 T N 0.554 115.034 114.554 -0.123 0.000 2.906 222 T HA 0.567 4.916 4.350 -0.003 0.000 0.295 222 T C -0.150 174.469 174.700 -0.135 0.000 1.061 222 T CA -0.787 61.208 62.100 -0.176 0.000 1.000 222 T CB 0.754 69.596 68.868 -0.045 0.000 1.103 222 T HN 0.037 nan 8.240 nan 0.000 0.486 223 F N 1.138 121.137 119.950 0.082 0.000 2.484 223 F HA 0.466 4.991 4.527 -0.003 0.000 0.360 223 F C 1.836 177.669 175.800 0.054 0.000 1.101 223 F CA -0.783 57.266 58.000 0.081 0.000 1.251 223 F CB 0.685 39.742 39.000 0.095 0.000 1.132 223 F HN 0.864 nan 8.300 nan 0.000 0.570 224 A N 3.002 125.965 122.820 0.238 0.000 2.121 224 A HA -0.002 4.316 4.320 -0.003 0.000 0.218 224 A C 1.703 179.341 177.584 0.091 0.000 1.154 224 A CA 1.102 53.215 52.037 0.127 0.000 0.679 224 A CB -0.561 18.502 19.000 0.104 0.000 0.795 224 A HN 0.609 nan 8.150 nan 0.000 0.458 225 V N -0.654 119.337 119.914 0.128 0.000 2.403 225 V HA -0.063 4.055 4.120 -0.003 0.000 0.228 225 V C 2.439 178.572 176.094 0.065 0.000 1.082 225 V CA 1.908 64.255 62.300 0.078 0.000 1.073 225 V CB -0.491 31.373 31.823 0.067 0.000 0.696 225 V HN 0.630 nan 8.190 nan 0.000 0.485 226 E N -0.036 120.210 120.200 0.078 0.000 2.045 226 E HA -0.062 4.286 4.350 -0.003 0.000 0.190 226 E C 2.161 178.828 176.600 0.112 0.000 0.968 226 E CA 0.747 57.195 56.400 0.081 0.000 0.813 226 E CB -0.274 29.422 29.700 -0.006 0.000 0.780 226 E HN 0.187 nan 8.360 nan 0.000 0.455 227 R N 1.045 121.660 120.500 0.191 0.000 2.222 227 R HA -0.235 4.103 4.340 -0.003 0.000 0.235 227 R C 2.296 178.674 176.300 0.131 0.000 1.112 227 R CA 2.332 58.559 56.100 0.212 0.000 0.897 227 R CB -1.489 28.986 30.300 0.292 0.000 0.882 227 R HN 0.347 nan 8.270 nan 0.000 0.429 228 A N 0.677 123.550 122.820 0.089 0.000 1.882 228 A HA -0.352 3.967 4.320 -0.003 0.000 0.220 228 A C 2.020 179.622 177.584 0.030 0.000 1.253 228 A CA 2.627 54.691 52.037 0.044 0.000 0.664 228 A CB -0.921 18.086 19.000 0.012 0.000 0.838 228 A HN 0.516 nan 8.150 nan 0.000 0.460 229 Q N -0.586 119.163 119.800 -0.086 0.000 2.045 229 Q HA -0.268 4.071 4.340 -0.003 0.000 0.206 229 Q C 1.957 178.066 176.000 0.182 0.000 0.991 229 Q CA 2.018 57.705 55.803 -0.193 0.000 0.851 229 Q CB -0.829 27.482 28.738 -0.712 0.000 0.911 229 Q HN 0.915 nan 8.270 nan 0.000 0.418 230 E N 0.321 120.655 120.200 0.223 0.000 2.038 230 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 230 E C 2.029 178.858 176.600 0.382 0.000 1.000 230 E CA 0.920 57.540 56.400 0.368 0.000 0.803 230 E CB 0.050 29.927 29.700 0.295 0.000 0.750 230 E HN 0.196 nan 8.360 nan 0.000 0.448 231 I N 1.304 122.038 120.570 0.274 0.000 2.194 231 I HA -0.303 3.865 4.170 -0.003 0.000 0.246 231 I C 2.473 178.754 176.117 0.273 0.000 1.093 231 I CA 1.292 62.731 61.300 0.232 0.000 1.355 231 I CB -1.164 36.902 38.000 0.111 0.000 1.046 231 I HN 0.318 nan 8.210 nan 0.000 0.413 232 L N -0.945 120.433 121.223 0.258 0.000 2.083 232 L HA -0.269 4.070 4.340 -0.003 0.000 0.209 232 L C 2.678 179.716 176.870 0.280 0.000 1.083 232 L CA 1.377 56.367 54.840 0.249 0.000 0.752 232 L CB -0.838 41.355 42.059 0.225 0.000 0.899 232 L HN 0.197 nan 8.230 nan 0.000 0.433 233 Y N 0.360 120.787 120.300 0.212 0.000 2.263 233 Y HA -0.146 4.403 4.550 -0.002 0.000 0.292 233 Y C 2.301 178.248 175.900 0.079 0.000 1.130 233 Y CA 1.141 59.245 58.100 0.008 0.000 1.179 233 Y CB -0.143 38.284 38.460 -0.054 0.000 0.998 233 Y HN -0.154 nan 8.280 nan 0.000 0.532 234 V N 0.522 120.545 119.914 0.181 0.000 3.141 234 V HA -0.237 3.881 4.120 -0.003 0.000 0.265 234 V C 2.081 178.316 176.094 0.235 0.000 1.126 234 V CA 1.379 63.807 62.300 0.213 0.000 1.141 234 V CB -0.616 31.444 31.823 0.394 0.000 0.743 234 V HN 0.414 nan 8.190 nan 0.000 0.492 235 L N -1.892 119.445 121.223 0.191 0.000 2.249 235 L HA -0.020 4.318 4.340 -0.003 0.000 0.207 235 L C 2.337 179.226 176.870 0.032 0.000 1.090 235 L CA 1.169 56.100 54.840 0.153 0.000 0.802 235 L CB -0.474 41.683 42.059 0.163 0.000 0.947 235 L HN 0.325 nan 8.230 nan 0.000 0.453 236 Y N 1.619 121.817 120.300 -0.170 0.000 2.153 236 Y HA -0.204 4.345 4.550 -0.002 0.000 0.289 236 Y C 2.641 178.303 175.900 -0.397 0.000 1.127 236 Y CA 1.862 59.797 58.100 -0.275 0.000 1.131 236 Y CB -0.096 38.149 38.460 -0.359 0.000 0.995 236 Y HN 0.161 nan 8.280 nan 0.000 0.505 237 T N -2.424 111.863 114.554 -0.445 0.000 3.380 237 T HA 0.038 4.387 4.350 -0.003 0.000 0.250 237 T C 0.212 174.365 174.700 -0.911 0.000 1.082 237 T CA 0.620 62.329 62.100 -0.652 0.000 0.968 237 T CB -0.444 67.961 68.868 -0.771 0.000 1.027 237 T HN 0.480 nan 8.240 nan 0.000 0.575 238 H N -1.267 117.560 119.070 -0.405 0.000 3.427 238 H HA 0.300 4.854 4.556 -0.003 0.000 0.262 238 H C 1.679 176.935 175.328 -0.119 0.000 1.148 238 H CA -0.018 55.825 56.048 -0.341 0.000 1.048 238 H CB 0.297 30.007 29.762 -0.087 0.000 2.325 238 H HN 0.471 nan 8.280 nan 0.000 0.768 239 G N 0.083 108.808 108.800 -0.125 0.000 2.920 239 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.208 239 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.208 239 G C 1.205 176.123 174.900 0.031 0.000 1.159 239 G CA 0.170 45.240 45.100 -0.050 0.000 0.784 239 G HN 0.599 nan 8.290 nan 0.000 0.535 240 H N -0.561 118.449 119.070 -0.101 0.000 2.546 240 H HA 0.135 4.689 4.556 -0.003 0.000 0.277 240 H C 2.189 177.486 175.328 -0.053 0.000 1.004 240 H CA 0.682 56.678 56.048 -0.086 0.000 1.231 240 H CB 0.126 29.839 29.762 -0.082 0.000 1.382 240 H HN 0.503 nan 8.280 nan 0.000 0.580 241 R N 0.610 121.206 120.500 0.160 0.000 2.576 241 R HA 0.253 4.592 4.340 -0.003 0.000 0.237 241 R C 0.003 176.301 176.300 -0.004 0.000 0.917 241 R CA -0.356 55.730 56.100 -0.025 0.000 1.002 241 R CB 0.168 30.386 30.300 -0.137 0.000 1.428 241 R HN 0.076 nan 8.270 nan 0.000 0.603 242 L N 4.870 126.112 121.223 0.031 0.000 2.490 242 L HA 0.214 4.553 4.340 -0.003 0.000 0.274 242 L C -1.727 175.128 176.870 -0.024 0.000 1.201 242 L CA -1.708 53.123 54.840 -0.015 0.000 0.869 242 L CB 0.113 42.163 42.059 -0.015 0.000 1.123 242 L HN 0.004 nan 8.230 nan 0.000 0.484 243 P HA 0.028 nan 4.420 nan 0.000 0.268 243 P C -0.869 176.417 177.300 -0.025 0.000 1.204 243 P CA -0.469 62.612 63.100 -0.032 0.000 0.768 243 P CB 0.411 32.089 31.700 -0.037 0.000 0.842 244 R N 1.960 122.447 120.500 -0.021 0.000 2.561 244 R HA 0.341 4.679 4.340 -0.003 0.000 0.347 244 R C 0.304 176.600 176.300 -0.008 0.000 0.916 244 R CA 0.270 56.360 56.100 -0.016 0.000 1.063 244 R CB -1.285 29.006 30.300 -0.015 0.000 0.916 244 R HN 0.589 nan 8.270 nan 0.000 0.410 245 A N 5.436 128.253 122.820 -0.003 0.000 2.513 245 A HA 0.462 4.780 4.320 -0.003 0.000 0.296 245 A C -2.531 175.065 177.584 0.020 0.000 1.052 245 A CA -1.473 50.573 52.037 0.015 0.000 0.714 245 A CB 1.642 20.651 19.000 0.015 0.000 1.279 245 A HN 0.427 nan 8.150 nan 0.000 0.397 246 P HA 0.217 nan 4.420 nan 0.000 0.266 246 P C -0.555 176.731 177.300 -0.022 0.000 1.215 246 P CA 0.491 63.571 63.100 -0.034 0.000 0.763 246 P CB 0.254 31.945 31.700 -0.016 0.000 0.806 247 I N 4.549 125.060 120.570 -0.097 0.000 2.371 247 I HA 0.146 4.314 4.170 -0.003 0.000 0.290 247 I C 0.223 176.256 176.117 -0.141 0.000 1.028 247 I CA -0.502 60.785 61.300 -0.022 0.000 1.345 247 I CB 0.049 38.051 38.000 0.004 0.000 1.407 247 I HN 0.295 nan 8.210 nan 0.000 0.501 248 Y N 6.121 126.428 120.300 0.011 0.000 2.360 248 Y HA 0.435 4.983 4.550 -0.003 0.000 0.337 248 Y C -0.224 175.693 175.900 0.029 0.000 1.039 248 Y CA -0.791 57.318 58.100 0.015 0.000 1.109 248 Y CB 1.671 40.127 38.460 -0.007 0.000 1.201 248 Y HN 0.372 nan 8.280 nan 0.000 0.458 249 L N 4.118 125.437 121.223 0.160 0.000 2.335 249 L HA 0.388 4.727 4.340 -0.003 0.000 0.268 249 L C -0.782 176.177 176.870 0.147 0.000 1.037 249 L CA -0.353 54.558 54.840 0.119 0.000 0.895 249 L CB 0.276 42.373 42.059 0.063 0.000 1.266 249 L HN 0.519 nan 8.230 nan 0.000 0.439 250 D N 2.903 123.405 120.400 0.170 0.000 2.631 250 D HA 0.437 5.075 4.640 -0.003 0.000 0.227 250 D C -0.893 175.487 176.300 0.132 0.000 1.146 250 D CA 0.484 54.592 54.000 0.181 0.000 1.009 250 D CB 0.156 41.115 40.800 0.266 0.000 1.057 250 D HN 0.486 nan 8.370 nan 0.000 0.509 251 S N 1.035 116.794 115.700 0.098 0.000 2.484 251 S HA 0.170 4.638 4.470 -0.003 0.000 0.330 251 S C -2.591 172.038 174.600 0.049 0.000 0.882 251 S CA -0.953 57.290 58.200 0.072 0.000 0.851 251 S CB 1.291 64.534 63.200 0.072 0.000 1.146 251 S HN -0.082 nan 8.310 nan 0.000 0.466 252 P HA -0.160 nan 4.420 nan 0.000 0.215 252 P C 1.814 179.122 177.300 0.015 0.000 1.157 252 P CA 1.301 64.409 63.100 0.013 0.000 0.874 252 P CB -0.006 31.689 31.700 -0.008 0.000 0.790 253 M N 0.324 119.938 119.600 0.023 0.000 2.163 253 M HA -0.227 4.251 4.480 -0.003 0.000 0.258 253 M C 2.021 178.331 176.300 0.016 0.000 1.071 253 M CA 2.475 57.791 55.300 0.026 0.000 1.093 253 M CB -1.463 31.164 32.600 0.045 0.000 1.285 253 M HN -0.105 nan 8.290 nan 0.000 0.420 254 A N -0.544 122.288 122.820 0.019 0.000 1.986 254 A HA -0.067 4.251 4.320 -0.003 0.000 0.220 254 A C 2.315 179.874 177.584 -0.042 0.000 1.171 254 A CA 2.052 54.082 52.037 -0.012 0.000 0.640 254 A CB -1.910 17.095 19.000 0.010 0.000 0.811 254 A HN 0.733 nan 8.150 nan 0.000 0.451 255 G N -0.612 108.181 108.800 -0.011 0.000 2.453 255 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.215 255 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.215 255 G C 1.738 176.628 174.900 -0.018 0.000 1.201 255 G CA 0.848 45.941 45.100 -0.012 0.000 0.784 255 G HN 0.567 nan 8.290 nan 0.000 0.545 256 R N -0.169 120.329 120.500 -0.004 0.000 2.091 256 R HA -0.076 4.262 4.340 -0.003 0.000 0.238 256 R C 2.682 178.987 176.300 0.008 0.000 1.136 256 R CA 1.319 57.424 56.100 0.007 0.000 0.959 256 R CB -0.665 29.642 30.300 0.012 0.000 0.856 256 R HN 0.311 nan 8.270 nan 0.000 0.437 257 V N 1.482 121.387 119.914 -0.015 0.000 2.332 257 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 257 V C 2.245 178.287 176.094 -0.086 0.000 1.055 257 V CA 1.667 63.958 62.300 -0.016 0.000 1.038 257 V CB -0.553 31.227 31.823 -0.072 0.000 0.651 257 V HN 0.241 nan 8.190 nan 0.000 0.450 258 L N 0.505 121.601 121.223 -0.212 0.000 1.989 258 L HA -0.162 4.176 4.340 -0.003 0.000 0.211 258 L C 2.577 179.448 176.870 0.002 0.000 1.071 258 L CA 2.350 57.034 54.840 -0.261 0.000 0.749 258 L CB -0.791 41.166 42.059 -0.171 0.000 0.890 258 L HN 0.310 nan 8.230 nan 0.000 0.431 259 S N -0.510 115.211 115.700 0.035 0.000 2.402 259 S HA -0.200 4.268 4.470 -0.003 0.000 0.233 259 S C 1.764 176.441 174.600 0.128 0.000 1.030 259 S CA 1.667 59.916 58.200 0.082 0.000 1.003 259 S CB -0.549 62.684 63.200 0.055 0.000 0.813 259 S HN 0.446 nan 8.310 nan 0.000 0.477 260 L N 0.104 121.417 121.223 0.149 0.000 2.341 260 L HA 0.235 4.573 4.340 -0.003 0.000 0.214 260 L C 1.647 178.665 176.870 0.247 0.000 1.115 260 L CA 1.098 56.035 54.840 0.162 0.000 0.820 260 L CB -0.638 41.497 42.059 0.127 0.000 0.944 260 L HN 0.267 nan 8.230 nan 0.000 0.452 261 Y N 0.494 120.846 120.300 0.086 0.000 2.228 261 Y HA -0.256 4.292 4.550 -0.003 0.000 0.285 261 Y C -0.360 175.702 175.900 0.270 0.000 1.178 261 Y CA 1.460 59.677 58.100 0.194 0.000 1.202 261 Y CB -1.234 37.240 38.460 0.022 0.000 0.974 261 Y HN 0.322 nan 8.280 nan 0.000 0.527 262 P HA -0.131 nan 4.420 nan 0.000 0.218 262 P C 0.777 178.045 177.300 -0.054 0.000 1.149 262 P CA 1.636 64.811 63.100 0.125 0.000 0.817 262 P CB 0.022 31.869 31.700 0.243 0.000 0.785 263 R N -1.215 119.302 120.500 0.027 0.000 2.313 263 R HA 0.103 4.441 4.340 -0.003 0.000 0.199 263 R C 0.322 176.610 176.300 -0.020 0.000 0.958 263 R CA 0.424 56.520 56.100 -0.006 0.000 1.047 263 R CB -0.225 30.085 30.300 0.017 0.000 0.955 263 R HN 0.158 nan 8.270 nan 0.000 0.481 264 L N -0.356 120.849 121.223 -0.030 0.000 3.066 264 L HA 0.091 4.429 4.340 -0.003 0.000 0.265 264 L C 1.360 178.141 176.870 -0.147 0.000 1.232 264 L CA 0.308 55.100 54.840 -0.079 0.000 1.031 264 L CB 0.698 42.547 42.059 -0.351 0.000 1.379 264 L HN -0.092 nan 8.230 nan 0.000 0.563 265 V N 1.393 121.256 119.914 -0.085 0.000 2.380 265 V HA -0.296 3.822 4.120 -0.003 0.000 0.251 265 V C 2.632 178.713 176.094 -0.021 0.000 1.063 265 V CA 2.428 64.699 62.300 -0.049 0.000 1.055 265 V CB -0.196 31.397 31.823 -0.383 0.000 0.657 265 V HN 0.768 nan 8.190 nan 0.000 0.455 266 R N -1.788 118.606 120.500 -0.176 0.000 2.280 266 R HA -0.093 4.245 4.340 -0.003 0.000 0.207 266 R C 1.690 177.790 176.300 -0.332 0.000 1.043 266 R CA 1.661 57.607 56.100 -0.257 0.000 1.006 266 R CB -0.641 29.436 30.300 -0.372 0.000 0.885 266 R HN 0.584 nan 8.270 nan 0.000 0.467 267 Y N -0.020 120.099 120.300 -0.302 0.000 2.466 267 Y HA 0.263 4.811 4.550 -0.003 0.000 0.272 267 Y C 0.167 175.786 175.900 -0.468 0.000 1.169 267 Y CA -0.434 57.432 58.100 -0.390 0.000 1.285 267 Y CB 0.166 38.301 38.460 -0.542 0.000 1.078 267 Y HN -0.118 nan 8.280 nan 0.000 0.523 268 F N -0.632 119.332 119.950 0.024 0.000 2.410 268 F HA 0.356 4.881 4.527 -0.002 0.000 0.324 268 F C 1.085 176.882 175.800 -0.005 0.000 1.093 268 F CA -1.674 56.329 58.000 0.006 0.000 1.028 268 F CB 0.242 39.272 39.000 0.050 0.000 1.309 268 F HN -0.265 nan 8.300 nan 0.000 0.499 269 S N 0.078 115.906 115.700 0.214 0.000 2.587 269 S HA 0.039 4.507 4.470 -0.003 0.000 0.260 269 S C 0.891 175.553 174.600 0.104 0.000 1.353 269 S CA -0.560 57.699 58.200 0.099 0.000 0.995 269 S CB 0.599 63.834 63.200 0.059 0.000 0.912 269 S HN 0.583 nan 8.310 nan 0.000 0.568 270 E N 0.774 121.015 120.200 0.068 0.000 2.153 270 E HA -0.177 4.172 4.350 -0.003 0.000 0.194 270 E C 1.889 178.544 176.600 0.091 0.000 0.988 270 E CA 1.422 57.861 56.400 0.066 0.000 0.811 270 E CB -0.457 29.268 29.700 0.041 0.000 0.746 270 E HN 0.929 nan 8.360 nan 0.000 0.466 271 E N 0.706 120.967 120.200 0.102 0.000 2.038 271 E HA -0.153 4.195 4.350 -0.003 0.000 0.195 271 E C 2.064 178.806 176.600 0.236 0.000 1.000 271 E CA 1.422 57.916 56.400 0.157 0.000 0.803 271 E CB 0.138 29.945 29.700 0.178 0.000 0.750 271 E HN 0.015 nan 8.360 nan 0.000 0.448 272 V N 1.376 121.362 119.914 0.119 0.000 2.594 272 V HA -0.245 3.873 4.120 -0.003 0.000 0.253 272 V C 2.351 178.597 176.094 0.253 0.000 1.069 272 V CA 1.864 64.180 62.300 0.026 0.000 1.082 272 V CB -0.518 31.190 31.823 -0.193 0.000 0.680 272 V HN 0.335 nan 8.190 nan 0.000 0.469 273 Q N -0.214 119.729 119.800 0.239 0.000 2.123 273 Q HA -0.106 4.232 4.340 -0.003 0.000 0.199 273 Q C 2.495 178.616 176.000 0.202 0.000 0.966 273 Q CA 1.504 57.451 55.803 0.241 0.000 0.845 273 Q CB -0.341 28.481 28.738 0.141 0.000 0.907 273 Q HN 0.671 nan 8.270 nan 0.000 0.439 274 A N 1.605 124.501 122.820 0.128 0.000 1.841 274 A HA -0.259 4.059 4.320 -0.003 0.000 0.216 274 A C 1.804 179.403 177.584 0.025 0.000 1.199 274 A CA 1.645 53.701 52.037 0.032 0.000 0.621 274 A CB -1.187 17.776 19.000 -0.062 0.000 0.835 274 A HN 0.389 nan 8.150 nan 0.000 0.445 275 H N -1.788 117.301 119.070 0.032 0.000 2.292 275 H HA -0.226 4.328 4.556 -0.003 0.000 0.292 275 H C 2.064 177.358 175.328 -0.057 0.000 1.100 275 H CA 2.304 58.323 56.048 -0.047 0.000 1.238 275 H CB -0.643 29.024 29.762 -0.157 0.000 1.355 275 H HN 0.540 nan 8.280 nan 0.000 0.484 276 F N 0.416 120.417 119.950 0.084 0.000 2.161 276 F HA -0.164 4.362 4.527 -0.002 0.000 0.300 276 F C 2.533 178.356 175.800 0.040 0.000 1.089 276 F CA 0.698 58.725 58.000 0.046 0.000 1.282 276 F CB -0.539 38.494 39.000 0.055 0.000 1.010 276 F HN 0.040 nan 8.300 nan 0.000 0.485 277 L N 0.026 121.387 121.223 0.230 0.000 2.549 277 L HA -0.141 4.197 4.340 -0.003 0.000 0.230 277 L C 1.460 178.380 176.870 0.082 0.000 1.162 277 L CA 1.412 56.328 54.840 0.126 0.000 0.834 277 L CB -0.498 41.609 42.059 0.082 0.000 0.947 277 L HN 0.101 nan 8.230 nan 0.000 0.452 278 Q N -0.177 119.668 119.800 0.075 0.000 2.188 278 Q HA 0.357 4.695 4.340 -0.003 0.000 0.212 278 Q C 1.123 177.157 176.000 0.056 0.000 0.846 278 Q CA 0.485 56.316 55.803 0.045 0.000 0.989 278 Q CB 0.053 28.802 28.738 0.019 0.000 1.114 278 Q HN 0.389 nan 8.270 nan 0.000 0.488 279 G N 2.653 111.503 108.800 0.083 0.000 2.338 279 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.296 279 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.296 279 G C -0.279 174.655 174.900 0.057 0.000 1.040 279 G CA 0.812 45.962 45.100 0.083 0.000 1.004 279 G HN 0.409 nan 8.290 nan 0.000 0.509 280 K N -0.984 119.427 120.400 0.019 0.000 2.589 280 K HA 0.387 4.705 4.320 -0.003 0.000 0.253 280 K C -0.811 175.615 176.600 -0.291 0.000 0.974 280 K CA -1.230 55.024 56.287 -0.053 0.000 0.835 280 K CB 1.221 33.731 32.500 0.016 0.000 1.272 280 K HN -0.012 nan 8.250 nan 0.000 0.444 281 N N 5.113 123.626 118.700 -0.311 0.000 2.406 281 N HA 0.051 4.789 4.740 -0.003 0.000 0.265 281 N C -1.627 173.381 175.510 -0.837 0.000 1.203 281 N CA -1.452 51.255 53.050 -0.573 0.000 0.945 281 N CB 0.805 39.190 38.487 -0.169 0.000 1.165 281 N HN 0.514 nan 8.380 nan 0.000 0.485 282 P HA 0.024 nan 4.420 nan 0.000 0.253 282 P C 0.064 176.682 177.300 -1.135 0.000 1.281 282 P CA 0.380 62.539 63.100 -1.569 0.000 0.792 282 P CB -0.169 30.834 31.700 -1.163 0.000 1.193 283 F N -0.014 119.651 119.950 -0.475 0.000 2.682 283 F HA 0.276 4.801 4.527 -0.003 0.000 0.308 283 F C 1.326 177.060 175.800 -0.111 0.000 1.093 283 F CA -0.168 57.729 58.000 -0.172 0.000 1.244 283 F CB 0.434 39.371 39.000 -0.105 0.000 1.052 283 F HN -0.254 nan 8.300 nan 0.000 0.573 284 R N 2.198 122.683 120.500 -0.025 0.000 2.575 284 R HA 0.264 4.602 4.340 -0.003 0.000 0.281 284 R C -2.617 173.769 176.300 0.143 0.000 1.272 284 R CA -1.605 54.526 56.100 0.052 0.000 1.417 284 R CB 0.091 30.409 30.300 0.030 0.000 1.121 284 R HN -0.063 nan 8.270 nan 0.000 0.583 285 P HA -0.063 nan 4.420 nan 0.000 0.270 285 P C -0.097 177.269 177.300 0.109 0.000 1.227 285 P CA -0.133 63.111 63.100 0.240 0.000 0.788 285 P CB 0.654 32.439 31.700 0.142 0.000 0.926 286 A N 1.279 124.121 122.820 0.037 0.000 2.580 286 A HA 0.319 4.637 4.320 -0.003 0.000 0.244 286 A C 1.569 179.147 177.584 -0.011 0.000 1.045 286 A CA 0.780 52.817 52.037 -0.000 0.000 0.761 286 A CB -1.734 17.240 19.000 -0.044 0.000 0.962 286 A HN 0.959 nan 8.150 nan 0.000 0.512 287 G N 1.034 109.824 108.800 -0.017 0.000 2.168 287 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.257 287 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.257 287 G C 0.169 175.018 174.900 -0.084 0.000 0.997 287 G CA 0.425 45.496 45.100 -0.047 0.000 0.708 287 G HN 1.735 nan 8.290 nan 0.000 0.520 288 L N 0.257 121.450 121.223 -0.051 0.000 2.483 288 L HA 0.625 4.963 4.340 -0.003 0.000 0.276 288 L C 0.354 177.155 176.870 -0.116 0.000 1.213 288 L CA 0.491 55.289 54.840 -0.071 0.000 0.843 288 L CB 0.862 42.919 42.059 -0.004 0.000 1.107 288 L HN 0.325 nan 8.230 nan 0.000 0.487 289 E N 3.130 123.218 120.200 -0.186 0.000 2.302 289 E HA 0.281 4.629 4.350 -0.003 0.000 0.263 289 E C -1.686 174.865 176.600 -0.082 0.000 0.897 289 E CA -0.650 55.642 56.400 -0.180 0.000 0.809 289 E CB 1.786 31.273 29.700 -0.354 0.000 1.270 289 E HN 0.543 nan 8.360 nan 0.000 0.410 290 V N 6.052 125.962 119.914 -0.007 0.000 2.405 290 V HA 0.220 4.339 4.120 -0.003 0.000 0.264 290 V C -0.513 175.630 176.094 0.082 0.000 1.048 290 V CA -0.169 62.156 62.300 0.042 0.000 0.966 290 V CB 0.931 32.774 31.823 0.033 0.000 1.015 290 V HN 0.455 nan 8.190 nan 0.000 0.477 291 V N 7.919 127.912 119.914 0.131 0.000 2.455 291 V HA 0.297 4.415 4.120 -0.003 0.000 0.273 291 V C 0.824 176.990 176.094 0.119 0.000 1.045 291 V CA 0.015 62.411 62.300 0.162 0.000 0.976 291 V CB 0.774 32.727 31.823 0.215 0.000 0.993 291 V HN 0.999 nan 8.190 nan 0.000 0.475 292 E N 2.532 122.807 120.200 0.124 0.000 2.075 292 E HA 0.106 4.454 4.350 -0.003 0.000 0.193 292 E C -0.129 176.465 176.600 -0.010 0.000 0.950 292 E CA 0.027 56.445 56.400 0.029 0.000 0.859 292 E CB 0.112 29.785 29.700 -0.045 0.000 0.846 292 E HN 0.797 nan 8.360 nan 0.000 0.467 293 H N 0.858 119.951 119.070 0.038 0.000 2.815 293 H HA 0.034 4.588 4.556 -0.003 0.000 0.350 293 H C 1.064 176.406 175.328 0.023 0.000 1.080 293 H CA 0.482 56.546 56.048 0.027 0.000 1.433 293 H CB 0.666 30.441 29.762 0.022 0.000 1.432 293 H HN 0.017 nan 8.280 nan 0.000 0.592 294 T N 1.342 115.962 114.554 0.111 0.000 2.684 294 T HA -0.241 4.107 4.350 -0.003 0.000 0.267 294 T C 1.856 176.576 174.700 0.033 0.000 1.036 294 T CA 1.708 63.836 62.100 0.047 0.000 1.148 294 T CB -0.091 68.784 68.868 0.013 0.000 0.863 294 T HN 0.749 nan 8.240 nan 0.000 0.436 295 E N 1.112 121.342 120.200 0.049 0.000 2.049 295 E HA -0.231 4.117 4.350 -0.003 0.000 0.198 295 E C 2.380 178.993 176.600 0.022 0.000 1.007 295 E CA 1.361 57.772 56.400 0.018 0.000 0.809 295 E CB -0.295 29.413 29.700 0.014 0.000 0.749 295 E HN 0.486 nan 8.360 nan 0.000 0.450 296 A N 0.401 123.255 122.820 0.057 0.000 2.024 296 A HA -0.176 4.142 4.320 -0.003 0.000 0.220 296 A C 2.288 179.913 177.584 0.068 0.000 1.164 296 A CA 1.836 53.912 52.037 0.065 0.000 0.643 296 A CB -0.666 18.397 19.000 0.106 0.000 0.806 296 A HN 0.358 nan 8.150 nan 0.000 0.451 297 S N -0.595 115.146 115.700 0.069 0.000 2.371 297 S HA -0.111 4.357 4.470 -0.003 0.000 0.224 297 S C 1.936 176.569 174.600 0.055 0.000 1.029 297 S CA 1.260 59.507 58.200 0.080 0.000 0.978 297 S CB -0.223 63.019 63.200 0.070 0.000 0.833 297 S HN 0.488 nan 8.310 nan 0.000 0.466 298 K N 1.609 122.002 120.400 -0.011 0.000 2.280 298 K HA 0.113 4.432 4.320 -0.003 0.000 0.202 298 K C 1.862 178.445 176.600 -0.028 0.000 1.047 298 K CA 0.991 57.254 56.287 -0.040 0.000 0.942 298 K CB -0.797 31.655 32.500 -0.080 0.000 0.739 298 K HN 0.449 nan 8.250 nan 0.000 0.457 299 A N 0.776 123.583 122.820 -0.021 0.000 2.235 299 A HA 0.051 4.369 4.320 -0.003 0.000 0.208 299 A C 1.790 179.333 177.584 -0.068 0.000 1.172 299 A CA 0.447 52.462 52.037 -0.037 0.000 0.786 299 A CB -0.445 18.545 19.000 -0.016 0.000 0.804 299 A HN 0.164 nan 8.150 nan 0.000 0.479 300 L N -1.089 120.093 121.223 -0.067 0.000 2.554 300 L HA 0.069 4.407 4.340 -0.003 0.000 0.225 300 L C 1.479 178.290 176.870 -0.099 0.000 1.104 300 L CA 0.074 54.808 54.840 -0.177 0.000 0.866 300 L CB -0.206 41.699 42.059 -0.258 0.000 1.047 300 L HN 0.334 nan 8.230 nan 0.000 0.468 301 N N 0.635 119.333 118.700 -0.003 0.000 2.368 301 N HA -0.001 4.738 4.740 -0.003 0.000 0.176 301 N C 1.609 177.072 175.510 -0.078 0.000 1.021 301 N CA 0.665 53.725 53.050 0.016 0.000 0.888 301 N CB 0.180 38.671 38.487 0.007 0.000 0.995 301 N HN 0.316 nan 8.380 nan 0.000 0.437 302 R N 0.513 120.955 120.500 -0.097 0.000 2.300 302 R HA 0.295 4.633 4.340 -0.003 0.000 0.199 302 R C 0.372 176.632 176.300 -0.067 0.000 0.920 302 R CA -0.084 55.961 56.100 -0.092 0.000 1.046 302 R CB 0.440 30.685 30.300 -0.091 0.000 0.984 302 R HN 0.022 nan 8.270 nan 0.000 0.493 303 A N 2.949 125.724 122.820 -0.075 0.000 2.309 303 A HA 0.410 4.728 4.320 -0.003 0.000 0.298 303 A C -2.149 175.397 177.584 -0.065 0.000 1.165 303 A CA -1.661 50.336 52.037 -0.067 0.000 0.821 303 A CB 0.282 19.230 19.000 -0.086 0.000 1.102 303 A HN -0.063 nan 8.150 nan 0.000 0.500 304 P HA 0.297 nan 4.420 nan 0.000 0.272 304 P C 0.380 177.661 177.300 -0.031 0.000 1.240 304 P CA 0.129 63.210 63.100 -0.032 0.000 0.791 304 P CB 0.907 32.596 31.700 -0.019 0.000 0.978 305 G N 0.426 109.211 108.800 -0.026 0.000 2.568 305 G HA2 0.550 4.509 3.960 -0.003 0.000 0.293 305 G HA3 0.550 4.509 3.960 -0.003 0.000 0.293 305 G C -2.408 172.487 174.900 -0.007 0.000 1.347 305 G CA -1.325 43.763 45.100 -0.020 0.000 1.039 305 G HN 0.430 nan 8.290 nan 0.000 0.523 306 P HA 0.416 nan 4.420 nan 0.000 0.274 306 P C -0.558 176.749 177.300 0.013 0.000 1.256 306 P CA 0.005 63.101 63.100 -0.006 0.000 0.795 306 P CB 1.232 32.925 31.700 -0.011 0.000 1.038 307 M N -2.060 117.546 119.600 0.010 0.000 2.751 307 M HA 0.318 4.796 4.480 -0.003 0.000 0.276 307 M C -2.209 174.110 176.300 0.033 0.000 1.002 307 M CA -0.887 54.447 55.300 0.056 0.000 0.828 307 M CB 0.785 33.433 32.600 0.081 0.000 1.752 307 M HN -0.101 nan 8.290 nan 0.000 0.556 308 V N 2.590 122.552 119.914 0.080 0.000 2.435 308 V HA 0.782 4.900 4.120 -0.003 0.000 0.290 308 V C -0.500 175.656 176.094 0.103 0.000 1.030 308 V CA -0.614 61.720 62.300 0.056 0.000 0.881 308 V CB 1.621 33.479 31.823 0.057 0.000 0.983 308 V HN 0.683 nan 8.190 nan 0.000 0.445 309 V N 6.275 126.205 119.914 0.027 0.000 2.540 309 V HA 0.516 4.634 4.120 -0.003 0.000 0.302 309 V C -0.442 175.676 176.094 0.040 0.000 1.035 309 V CA -0.537 61.773 62.300 0.017 0.000 0.873 309 V CB 2.020 33.710 31.823 -0.221 0.000 0.992 309 V HN 0.648 nan 8.190 nan 0.000 0.428 310 L N 4.573 125.851 121.223 0.093 0.000 2.305 310 L HA 0.924 5.262 4.340 -0.003 0.000 0.284 310 L C 0.014 176.950 176.870 0.111 0.000 1.013 310 L CA -0.241 54.650 54.840 0.085 0.000 0.819 310 L CB 1.585 43.694 42.059 0.083 0.000 1.227 310 L HN 0.797 nan 8.230 nan 0.000 0.417 311 A N 2.323 125.204 122.820 0.102 0.000 2.609 311 A HA 0.924 5.242 4.320 -0.003 0.000 0.291 311 A C -0.611 177.007 177.584 0.057 0.000 1.096 311 A CA -0.172 51.933 52.037 0.114 0.000 0.684 311 A CB 1.753 20.873 19.000 0.199 0.000 1.282 311 A HN 0.683 nan 8.150 nan 0.000 0.412 312 G N -0.361 108.471 108.800 0.053 0.000 3.108 312 G HA2 0.643 4.601 3.960 -0.003 0.000 0.268 312 G HA3 0.643 4.601 3.960 -0.003 0.000 0.268 312 G C 0.134 175.054 174.900 0.034 0.000 1.361 312 G CA 0.210 45.329 45.100 0.031 0.000 1.047 312 G HN 1.764 nan 8.290 nan 0.000 0.540 313 S N -1.047 114.679 115.700 0.043 0.000 2.572 313 S HA 0.347 4.815 4.470 -0.003 0.000 0.279 313 S C 1.671 176.262 174.600 -0.016 0.000 1.341 313 S CA 0.346 58.587 58.200 0.069 0.000 1.043 313 S CB 1.237 64.507 63.200 0.116 0.000 0.887 313 S HN 1.301 nan 8.310 nan 0.000 0.516 314 G N 1.138 109.845 108.800 -0.154 0.000 2.479 314 G HA2 -0.117 3.842 3.960 -0.003 0.000 0.220 314 G HA3 -0.117 3.842 3.960 -0.003 0.000 0.220 314 G C 0.912 175.618 174.900 -0.322 0.000 1.115 314 G CA 0.467 45.196 45.100 -0.619 0.000 0.757 314 G HN 0.726 nan 8.290 nan 0.000 0.560 315 M N 0.047 119.635 119.600 -0.020 0.000 2.560 315 M HA 0.370 4.848 4.480 -0.003 0.000 0.297 315 M C 0.480 176.820 176.300 0.066 0.000 1.201 315 M CA -0.163 55.184 55.300 0.079 0.000 0.973 315 M CB 0.366 33.090 32.600 0.206 0.000 1.401 315 M HN 0.088 nan 8.290 nan 0.000 0.497 316 L N -0.255 121.002 121.223 0.056 0.000 4.179 316 L HA -0.282 4.057 4.340 -0.003 0.000 0.418 316 L C 1.153 178.045 176.870 0.036 0.000 1.168 316 L CA 0.358 55.228 54.840 0.051 0.000 0.972 316 L CB -1.787 40.320 42.059 0.080 0.000 2.005 316 L HN 0.499 nan 8.230 nan 0.000 0.935 317 A N 0.122 122.973 122.820 0.053 0.000 2.268 317 A HA 0.521 4.839 4.320 -0.003 0.000 0.221 317 A C 1.368 178.970 177.584 0.029 0.000 1.287 317 A CA 1.162 53.228 52.037 0.049 0.000 0.902 317 A CB -0.392 18.656 19.000 0.080 0.000 0.877 317 A HN 1.246 nan 8.150 nan 0.000 0.487 318 G N -2.749 106.054 108.800 0.005 0.000 2.362 318 G HA2 0.472 4.430 3.960 -0.003 0.000 0.517 318 G HA3 0.472 4.430 3.960 -0.003 0.000 0.517 318 G C 0.598 175.487 174.900 -0.019 0.000 1.256 318 G CA 0.127 45.213 45.100 -0.023 0.000 1.027 318 G HN 2.339 nan 8.290 nan 0.000 0.491 319 G N -1.013 107.774 108.800 -0.022 0.000 2.715 319 G HA2 0.168 4.126 3.960 -0.003 0.000 0.221 319 G HA3 0.168 4.126 3.960 -0.003 0.000 0.221 319 G C 0.602 175.506 174.900 0.006 0.000 1.204 319 G CA 0.916 46.022 45.100 0.009 0.000 1.063 319 G HN 1.539 nan 8.290 nan 0.000 0.586 320 R N -0.901 119.607 120.500 0.013 0.000 2.517 320 R HA 0.416 4.754 4.340 -0.003 0.000 0.265 320 R C 2.205 178.403 176.300 -0.171 0.000 0.921 320 R CA 0.515 56.638 56.100 0.039 0.000 1.054 320 R CB 0.073 30.411 30.300 0.062 0.000 1.340 320 R HN 0.426 nan 8.270 nan 0.000 0.551 321 I N 0.774 121.295 120.570 -0.083 0.000 2.756 321 I HA -0.114 4.054 4.170 -0.003 0.000 0.262 321 I C 1.091 177.150 176.117 -0.095 0.000 1.225 321 I CA 1.390 62.674 61.300 -0.027 0.000 1.472 321 I CB 0.175 38.191 38.000 0.026 0.000 1.094 321 I HN 0.178 nan 8.210 nan 0.000 0.454 322 L N -0.816 120.295 121.223 -0.186 0.000 2.341 322 L HA -0.071 4.267 4.340 -0.003 0.000 0.214 322 L C 2.123 178.804 176.870 -0.315 0.000 1.115 322 L CA 0.385 55.084 54.840 -0.236 0.000 0.820 322 L CB -0.783 41.107 42.059 -0.282 0.000 0.944 322 L HN 0.318 nan 8.230 nan 0.000 0.452 323 H N -1.179 117.758 119.070 -0.221 0.000 2.502 323 H HA -0.017 4.537 4.556 -0.003 0.000 0.283 323 H C 2.005 177.264 175.328 -0.115 0.000 1.015 323 H CA 0.917 56.846 56.048 -0.197 0.000 1.298 323 H CB 0.250 29.896 29.762 -0.195 0.000 1.411 323 H HN 0.408 nan 8.280 nan 0.000 0.556 324 H N -0.001 119.128 119.070 0.098 0.000 2.355 324 H HA -0.023 4.531 4.556 -0.003 0.000 0.303 324 H C 2.323 177.652 175.328 0.002 0.000 1.061 324 H CA 0.259 56.347 56.048 0.067 0.000 1.368 324 H CB -0.322 29.458 29.762 0.030 0.000 1.412 324 H HN 0.136 nan 8.280 nan 0.000 0.523 325 L N 1.400 122.667 121.223 0.073 0.000 2.129 325 L HA -0.160 4.178 4.340 -0.003 0.000 0.212 325 L C 2.411 179.250 176.870 -0.052 0.000 1.087 325 L CA 1.503 56.343 54.840 -0.000 0.000 0.757 325 L CB -0.540 41.505 42.059 -0.023 0.000 0.896 325 L HN 0.197 nan 8.230 nan 0.000 0.434 326 K N -1.829 118.486 120.400 -0.142 0.000 2.228 326 K HA -0.112 4.206 4.320 -0.003 0.000 0.202 326 K C 1.518 177.933 176.600 -0.308 0.000 1.051 326 K CA 0.922 57.046 56.287 -0.272 0.000 0.960 326 K CB 0.111 32.351 32.500 -0.432 0.000 0.743 326 K HN 0.428 nan 8.250 nan 0.000 0.458 327 H N -2.360 116.739 119.070 0.049 0.000 2.885 327 H HA 0.196 4.751 4.556 -0.003 0.000 0.260 327 H C 1.394 176.739 175.328 0.029 0.000 0.985 327 H CA 0.823 56.896 56.048 0.042 0.000 1.210 327 H CB 1.316 31.113 29.762 0.059 0.000 1.466 327 H HN 0.329 nan 8.280 nan 0.000 0.493 328 G N -0.177 108.695 108.800 0.120 0.000 3.079 328 G HA2 0.048 4.007 3.960 -0.003 0.000 0.233 328 G HA3 0.048 4.007 3.960 -0.003 0.000 0.233 328 G C 1.255 176.169 174.900 0.023 0.000 1.062 328 G CA -0.073 45.064 45.100 0.062 0.000 0.809 328 G HN 0.072 nan 8.290 nan 0.000 0.535 329 L N 1.978 123.209 121.223 0.013 0.000 2.240 329 L HA 0.067 4.406 4.340 -0.003 0.000 0.211 329 L C 3.005 179.872 176.870 -0.004 0.000 1.106 329 L CA 1.734 56.569 54.840 -0.007 0.000 0.793 329 L CB -0.197 41.852 42.059 -0.017 0.000 0.927 329 L HN 0.299 nan 8.230 nan 0.000 0.446 330 S N -1.675 114.029 115.700 0.007 0.000 2.383 330 S HA -0.168 4.301 4.470 -0.003 0.000 0.229 330 S C 1.068 175.672 174.600 0.005 0.000 1.030 330 S CA 0.596 58.800 58.200 0.008 0.000 1.002 330 S CB -0.583 62.629 63.200 0.020 0.000 0.829 330 S HN 0.463 nan 8.310 nan 0.000 0.467 331 D N 3.425 123.830 120.400 0.007 0.000 2.383 331 D HA 0.175 4.813 4.640 -0.003 0.000 0.252 331 D C -1.334 174.963 176.300 -0.004 0.000 1.166 331 D CA -2.223 51.779 54.000 0.002 0.000 0.879 331 D CB 1.455 42.257 40.800 0.003 0.000 1.164 331 D HN 0.092 nan 8.370 nan 0.000 0.462 332 P HA -0.096 nan 4.420 nan 0.000 0.225 332 P C 1.022 178.319 177.300 -0.004 0.000 1.148 332 P CA 0.756 63.852 63.100 -0.006 0.000 0.779 332 P CB 0.626 32.324 31.700 -0.004 0.000 0.780 333 R N -0.369 120.129 120.500 -0.004 0.000 2.051 333 R HA 0.034 4.372 4.340 -0.003 0.000 0.225 333 R C 0.907 177.205 176.300 -0.003 0.000 1.155 333 R CA 0.258 56.355 56.100 -0.004 0.000 0.945 333 R CB -0.800 29.496 30.300 -0.008 0.000 0.840 333 R HN 0.205 nan 8.270 nan 0.000 0.432 334 N N 1.196 119.890 118.700 -0.010 0.000 2.181 334 N HA -0.070 4.668 4.740 -0.003 0.000 0.251 334 N C -0.676 174.829 175.510 -0.007 0.000 1.234 334 N CA 0.802 53.843 53.050 -0.015 0.000 0.835 334 N CB 0.365 38.840 38.487 -0.020 0.000 1.082 334 N HN 0.308 nan 8.380 nan 0.000 0.460 335 A N 2.201 125.020 122.820 -0.003 0.000 2.330 335 A HA 0.501 4.819 4.320 -0.003 0.000 0.313 335 A C -0.368 177.211 177.584 -0.009 0.000 1.124 335 A CA -0.711 51.347 52.037 0.035 0.000 0.774 335 A CB 0.912 19.981 19.000 0.115 0.000 1.198 335 A HN 0.649 nan 8.150 nan 0.000 0.465 336 L N 3.613 124.795 121.223 -0.069 0.000 2.276 336 L HA 0.618 4.956 4.340 -0.003 0.000 0.286 336 L C -1.179 175.555 176.870 -0.227 0.000 1.061 336 L CA -0.545 54.172 54.840 -0.205 0.000 0.807 336 L CB 1.250 43.117 42.059 -0.319 0.000 1.177 336 L HN 0.462 nan 8.230 nan 0.000 0.429 337 V N 5.195 124.964 119.914 -0.241 0.000 2.407 337 V HA 0.288 4.406 4.120 -0.003 0.000 0.291 337 V C -0.525 175.419 176.094 -0.250 0.000 1.018 337 V CA -0.475 61.740 62.300 -0.142 0.000 0.842 337 V CB 1.353 33.200 31.823 0.040 0.000 0.996 337 V HN 0.445 nan 8.190 nan 0.000 0.426 338 F N 4.736 124.686 119.950 -0.000 0.000 2.423 338 F HA 0.251 4.777 4.527 -0.002 0.000 0.356 338 F C 1.265 177.003 175.800 -0.102 0.000 1.170 338 F CA -0.518 57.454 58.000 -0.047 0.000 1.163 338 F CB 1.170 40.160 39.000 -0.018 0.000 1.318 338 F HN 0.456 nan 8.300 nan 0.000 0.569 339 V N 0.669 120.536 119.914 -0.077 0.000 3.306 339 V HA 0.260 4.378 4.120 -0.003 0.000 0.264 339 V C 1.251 177.325 176.094 -0.034 0.000 1.149 339 V CA 1.034 63.113 62.300 -0.369 0.000 1.143 339 V CB -0.958 30.462 31.823 -0.671 0.000 0.767 339 V HN 0.610 nan 8.190 nan 0.000 0.476 340 G N -0.709 108.141 108.800 0.084 0.000 2.882 340 G HA2 0.416 4.374 3.960 -0.003 0.000 0.164 340 G HA3 0.416 4.374 3.960 -0.003 0.000 0.164 340 G C -1.057 174.055 174.900 0.352 0.000 1.429 340 G CA -0.376 44.857 45.100 0.221 0.000 1.059 340 G HN 0.403 nan 8.290 nan 0.000 0.581 341 Y N 0.547 120.983 120.300 0.226 0.000 2.344 341 Y HA 0.388 4.936 4.550 -0.003 0.000 0.328 341 Y C -0.548 175.399 175.900 0.078 0.000 1.067 341 Y CA -0.882 57.334 58.100 0.194 0.000 1.247 341 Y CB 1.219 39.886 38.460 0.346 0.000 1.113 341 Y HN 0.203 nan 8.280 nan 0.000 0.465 342 Q N 7.485 127.089 119.800 -0.326 0.000 2.293 342 Q HA 0.291 4.629 4.340 -0.003 0.000 0.263 342 Q C -2.296 173.510 176.000 -0.322 0.000 1.002 342 Q CA -1.554 54.035 55.803 -0.357 0.000 0.910 342 Q CB 1.076 29.395 28.738 -0.698 0.000 1.185 342 Q HN 0.511 nan 8.270 nan 0.000 0.401 343 P HA 0.108 nan 4.420 nan 0.000 0.280 343 P C -0.424 176.849 177.300 -0.045 0.000 1.272 343 P CA -0.665 62.440 63.100 0.007 0.000 0.819 343 P CB 0.974 32.747 31.700 0.122 0.000 1.122 344 Q N 0.242 120.031 119.800 -0.019 0.000 2.330 344 Q HA 0.204 4.543 4.340 -0.003 0.000 0.279 344 Q C 0.951 176.941 176.000 -0.016 0.000 1.024 344 Q CA 1.575 57.362 55.803 -0.026 0.000 0.900 344 Q CB 0.014 28.746 28.738 -0.011 0.000 1.221 344 Q HN 0.895 nan 8.270 nan 0.000 0.396 345 G N 3.068 111.854 108.800 -0.023 0.000 2.420 345 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.221 345 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.221 345 G C 0.521 175.411 174.900 -0.016 0.000 1.117 345 G CA 0.116 45.208 45.100 -0.015 0.000 0.657 345 G HN 1.049 nan 8.290 nan 0.000 0.512 346 G N 0.025 108.813 108.800 -0.019 0.000 2.630 346 G HA2 0.421 4.380 3.960 -0.003 0.000 0.236 346 G HA3 0.421 4.380 3.960 -0.003 0.000 0.236 346 G C 1.246 176.130 174.900 -0.027 0.000 1.248 346 G CA 0.303 45.393 45.100 -0.017 0.000 0.844 346 G HN 1.238 nan 8.290 nan 0.000 0.588 347 L N 1.503 122.719 121.223 -0.011 0.000 2.265 347 L HA 0.024 4.363 4.340 -0.003 0.000 0.215 347 L C 2.448 179.319 176.870 0.002 0.000 1.117 347 L CA 1.919 56.758 54.840 -0.001 0.000 0.782 347 L CB -0.381 41.685 42.059 0.012 0.000 0.914 347 L HN 0.659 nan 8.230 nan 0.000 0.441 348 G N -0.575 108.196 108.800 -0.048 0.000 2.464 348 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.214 348 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.214 348 G C 1.639 176.433 174.900 -0.177 0.000 1.218 348 G CA 0.685 45.691 45.100 -0.157 0.000 0.794 348 G HN 0.537 nan 8.290 nan 0.000 0.542 349 A N 1.015 123.723 122.820 -0.187 0.000 1.971 349 A HA -0.178 4.140 4.320 -0.003 0.000 0.222 349 A C 2.166 179.709 177.584 -0.067 0.000 1.182 349 A CA 2.280 54.234 52.037 -0.139 0.000 0.649 349 A CB -0.506 18.430 19.000 -0.106 0.000 0.818 349 A HN 0.557 nan 8.150 nan 0.000 0.458 350 E N -0.439 119.737 120.200 -0.040 0.000 2.047 350 E HA -0.134 4.215 4.350 -0.003 0.000 0.191 350 E C 1.877 178.482 176.600 0.008 0.000 0.987 350 E CA 1.279 57.671 56.400 -0.013 0.000 0.799 350 E CB -0.320 29.376 29.700 -0.007 0.000 0.752 350 E HN 0.736 nan 8.360 nan 0.000 0.449 351 I N 1.131 121.724 120.570 0.038 0.000 2.493 351 I HA -0.219 3.950 4.170 -0.003 0.000 0.254 351 I C 2.257 178.421 176.117 0.078 0.000 1.160 351 I CA 0.895 62.241 61.300 0.077 0.000 1.445 351 I CB -0.217 37.884 38.000 0.167 0.000 1.086 351 I HN 0.110 nan 8.210 nan 0.000 0.433 352 I N 0.920 121.524 120.570 0.057 0.000 2.546 352 I HA -0.195 3.974 4.170 -0.003 0.000 0.255 352 I C 2.726 178.850 176.117 0.012 0.000 1.163 352 I CA 0.917 62.241 61.300 0.039 0.000 1.457 352 I CB -0.408 37.575 38.000 -0.029 0.000 1.092 352 I HN 0.146 nan 8.210 nan 0.000 0.434 353 A N 0.478 123.299 122.820 0.001 0.000 2.067 353 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 353 A C 1.569 179.154 177.584 0.001 0.000 1.158 353 A CA 0.831 52.867 52.037 -0.003 0.000 0.661 353 A CB -0.257 18.739 19.000 -0.006 0.000 0.801 353 A HN 0.457 nan 8.150 nan 0.000 0.452 354 R N -1.792 118.712 120.500 0.006 0.000 3.407 354 R HA -0.096 4.242 4.340 -0.003 0.000 0.277 354 R C -2.309 173.991 176.300 -0.001 0.000 1.119 354 R CA 0.684 56.785 56.100 0.002 0.000 0.750 354 R CB -2.650 27.648 30.300 -0.003 0.000 1.258 354 R HN 0.502 nan 8.270 nan 0.000 0.432 355 P HA 0.087 nan 4.420 nan 0.000 0.272 355 P C -1.759 175.539 177.300 -0.002 0.000 1.254 355 P CA -0.736 62.363 63.100 -0.001 0.000 0.795 355 P CB 0.386 32.086 31.700 -0.001 0.000 1.022 356 P HA -0.001 nan 4.420 nan 0.000 0.219 356 P C 0.209 177.507 177.300 -0.004 0.000 1.150 356 P CA 1.352 64.450 63.100 -0.003 0.000 0.814 356 P CB 0.210 31.909 31.700 -0.003 0.000 0.787 357 A N -1.094 121.723 122.820 -0.004 0.000 2.589 357 A HA 0.563 4.882 4.320 -0.003 0.000 0.296 357 A C -1.076 176.505 177.584 -0.005 0.000 1.062 357 A CA -0.493 51.541 52.037 -0.005 0.000 0.686 357 A CB 1.546 20.543 19.000 -0.005 0.000 1.282 357 A HN -0.145 nan 8.150 nan 0.000 0.404 358 V N 1.027 120.937 119.914 -0.006 0.000 2.881 358 V HA 0.630 4.748 4.120 -0.003 0.000 0.316 358 V C 0.352 176.438 176.094 -0.013 0.000 1.070 358 V CA -0.814 61.482 62.300 -0.006 0.000 0.976 358 V CB 1.930 33.753 31.823 0.000 0.000 1.038 358 V HN 0.909 nan 8.190 nan 0.000 0.446 359 R N 2.232 122.723 120.500 -0.014 0.000 2.255 359 R HA 0.722 5.060 4.340 -0.003 0.000 0.326 359 R C -1.441 174.842 176.300 -0.030 0.000 0.986 359 R CA -0.305 55.783 56.100 -0.021 0.000 0.847 359 R CB 0.702 30.992 30.300 -0.017 0.000 1.111 359 R HN 0.692 nan 8.270 nan 0.000 0.452 360 I N 5.526 126.070 120.570 -0.044 0.000 2.569 360 I HA 0.183 4.351 4.170 -0.003 0.000 0.290 360 I C -0.516 175.556 176.117 -0.076 0.000 1.088 360 I CA -1.053 60.209 61.300 -0.065 0.000 1.047 360 I CB 2.067 40.017 38.000 -0.083 0.000 1.237 360 I HN 0.599 nan 8.210 nan 0.000 0.421 361 L N 6.224 127.399 121.223 -0.079 0.000 3.601 361 L HA -0.186 4.153 4.340 -0.003 0.000 0.469 361 L C 1.095 177.942 176.870 -0.038 0.000 1.294 361 L CA 1.230 56.029 54.840 -0.068 0.000 0.829 361 L CB -1.819 40.188 42.059 -0.088 0.000 1.628 361 L HN 1.093 nan 8.230 nan 0.000 0.868 362 G N -0.219 108.563 108.800 -0.030 0.000 2.356 362 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.296 362 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.296 362 G C 0.234 175.125 174.900 -0.016 0.000 1.022 362 G CA 0.943 46.032 45.100 -0.018 0.000 0.961 362 G HN 0.768 nan 8.290 nan 0.000 0.510 363 E N -1.157 119.029 120.200 -0.023 0.000 2.375 363 E HA 0.450 4.798 4.350 -0.003 0.000 0.280 363 E C -0.887 175.699 176.600 -0.022 0.000 0.972 363 E CA -0.896 55.493 56.400 -0.019 0.000 0.782 363 E CB 1.187 30.875 29.700 -0.020 0.000 1.229 363 E HN 0.096 nan 8.360 nan 0.000 0.439 364 E N 1.340 121.531 120.200 -0.015 0.000 2.289 364 E HA 0.361 4.709 4.350 -0.003 0.000 0.278 364 E C -1.492 175.098 176.600 -0.016 0.000 1.032 364 E CA -0.245 56.147 56.400 -0.014 0.000 0.854 364 E CB 1.666 31.361 29.700 -0.008 0.000 1.046 364 E HN 0.214 nan 8.360 nan 0.000 0.409 365 V N 6.208 126.111 119.914 -0.019 0.000 2.588 365 V HA 0.532 4.651 4.120 -0.003 0.000 0.304 365 V C -2.576 173.511 176.094 -0.012 0.000 1.042 365 V CA -2.706 59.582 62.300 -0.019 0.000 0.877 365 V CB 2.190 33.992 31.823 -0.035 0.000 0.996 365 V HN 0.647 nan 8.190 nan 0.000 0.425 366 P HA 0.159 nan 4.420 nan 0.000 0.270 366 P C -0.583 176.713 177.300 -0.007 0.000 1.242 366 P CA -0.145 62.952 63.100 -0.005 0.000 0.768 366 P CB 0.454 32.153 31.700 -0.001 0.000 0.820 367 L N 5.116 126.335 121.223 -0.008 0.000 2.384 367 L HA 0.175 4.514 4.340 -0.003 0.000 0.258 367 L C 0.966 177.827 176.870 -0.014 0.000 1.266 367 L CA 0.656 55.489 54.840 -0.010 0.000 1.162 367 L CB -0.842 41.213 42.059 -0.007 0.000 1.375 367 L HN 0.252 nan 8.230 nan 0.000 0.420 368 R N 2.359 122.851 120.500 -0.014 0.000 2.142 368 R HA 0.380 4.719 4.340 -0.003 0.000 0.204 368 R C 0.867 177.154 176.300 -0.023 0.000 1.059 368 R CA 0.422 56.513 56.100 -0.015 0.000 1.055 368 R CB -0.002 30.292 30.300 -0.009 0.000 0.976 368 R HN 0.621 nan 8.270 nan 0.000 0.483 369 A N 2.229 125.034 122.820 -0.025 0.000 2.565 369 A HA 0.053 4.371 4.320 -0.003 0.000 0.237 369 A C 0.430 177.980 177.584 -0.056 0.000 1.053 369 A CA 0.105 52.124 52.037 -0.031 0.000 0.755 369 A CB 0.069 19.049 19.000 -0.032 0.000 0.980 369 A HN 0.419 nan 8.150 nan 0.000 0.506 370 S N 0.996 116.663 115.700 -0.056 0.000 2.568 370 S HA 0.386 4.855 4.470 -0.003 0.000 0.282 370 S C -0.098 174.347 174.600 -0.257 0.000 1.338 370 S CA -0.523 57.593 58.200 -0.140 0.000 1.045 370 S CB 0.706 63.882 63.200 -0.040 0.000 0.873 370 S HN 0.900 nan 8.310 nan 0.000 0.516 371 V N 4.046 123.709 119.914 -0.419 0.000 2.444 371 V HA 0.425 4.543 4.120 -0.003 0.000 0.294 371 V C -0.577 175.211 176.094 -0.510 0.000 1.022 371 V CA -0.608 61.486 62.300 -0.343 0.000 0.850 371 V CB 1.149 32.904 31.823 -0.113 0.000 0.992 371 V HN 0.932 nan 8.190 nan 0.000 0.426 372 H N 2.107 121.180 119.070 0.004 0.000 2.609 372 H HA 0.424 4.978 4.556 -0.003 0.000 0.344 372 H C -0.663 174.749 175.328 0.140 0.000 1.040 372 H CA -0.488 55.599 56.048 0.064 0.000 1.216 372 H CB 2.295 32.081 29.762 0.041 0.000 1.529 372 H HN 0.471 nan 8.280 nan 0.000 0.519 373 T N 4.982 119.709 114.554 0.289 0.000 2.770 373 T HA 0.297 4.646 4.350 -0.003 0.000 0.297 373 T C 0.726 175.573 174.700 0.246 0.000 0.997 373 T CA -0.620 61.665 62.100 0.308 0.000 0.949 373 T CB 0.086 69.084 68.868 0.217 0.000 0.941 373 T HN 0.304 nan 8.240 nan 0.000 0.457 374 L N 3.483 124.852 121.223 0.243 0.000 2.353 374 L HA 0.397 4.735 4.340 -0.003 0.000 0.269 374 L C 1.537 178.593 176.870 0.310 0.000 1.085 374 L CA -0.655 54.344 54.840 0.266 0.000 0.938 374 L CB 0.563 42.757 42.059 0.225 0.000 1.312 374 L HN 0.780 nan 8.230 nan 0.000 0.429 375 G N 0.963 109.939 108.800 0.293 0.000 3.026 375 G HA2 0.012 3.970 3.960 -0.003 0.000 0.208 375 G HA3 0.012 3.970 3.960 -0.003 0.000 0.208 375 G C 1.233 176.297 174.900 0.274 0.000 1.169 375 G CA 0.520 45.821 45.100 0.335 0.000 0.788 375 G HN 0.723 nan 8.290 nan 0.000 0.533 376 G N 0.678 109.650 108.800 0.286 0.000 2.430 376 G HA2 -0.056 3.903 3.960 -0.003 0.000 0.216 376 G HA3 -0.056 3.903 3.960 -0.003 0.000 0.216 376 G C 1.110 176.085 174.900 0.125 0.000 1.146 376 G CA -0.001 45.199 45.100 0.167 0.000 0.793 376 G HN 0.324 nan 8.290 nan 0.000 0.537 377 F N 2.035 122.031 119.950 0.076 0.000 2.788 377 F HA 0.214 4.739 4.527 -0.003 0.000 0.300 377 F C 1.795 177.605 175.800 0.017 0.000 1.229 377 F CA -0.446 57.608 58.000 0.091 0.000 1.446 377 F CB -0.563 38.470 39.000 0.056 0.000 1.118 377 F HN -0.055 nan 8.300 nan 0.000 0.579 378 S N 0.288 115.997 115.700 0.016 0.000 2.558 378 S HA 0.150 4.618 4.470 -0.003 0.000 0.293 378 S C 1.547 176.065 174.600 -0.137 0.000 1.292 378 S CA 0.273 58.378 58.200 -0.158 0.000 1.063 378 S CB 0.664 63.376 63.200 -0.813 0.000 0.831 378 S HN 0.474 nan 8.310 nan 0.000 0.499 379 G N 3.895 112.690 108.800 -0.008 0.000 2.985 379 G HA2 0.114 4.072 3.960 -0.003 0.000 0.209 379 G HA3 0.114 4.072 3.960 -0.003 0.000 0.209 379 G C 0.443 175.282 174.900 -0.102 0.000 1.165 379 G CA 0.001 45.053 45.100 -0.079 0.000 0.776 379 G HN 0.783 nan 8.290 nan 0.000 0.541 380 H N -0.256 118.808 119.070 -0.010 0.000 2.573 380 H HA 0.565 5.119 4.556 -0.003 0.000 0.351 380 H C -0.050 175.269 175.328 -0.015 0.000 1.163 380 H CA -0.536 55.508 56.048 -0.005 0.000 1.205 380 H CB 1.948 31.766 29.762 0.093 0.000 1.605 380 H HN 0.128 nan 8.280 nan 0.000 0.525 381 A N 1.480 124.364 122.820 0.107 0.000 2.425 381 A HA 0.416 4.735 4.320 -0.003 0.000 0.249 381 A C 0.871 178.522 177.584 0.110 0.000 1.084 381 A CA 0.256 52.341 52.037 0.080 0.000 0.781 381 A CB -0.001 18.982 19.000 -0.028 0.000 1.019 381 A HN 0.754 nan 8.150 nan 0.000 0.490 382 G N -0.404 108.409 108.800 0.020 0.000 2.537 382 G HA2 0.360 4.318 3.960 -0.003 0.000 0.273 382 G HA3 0.360 4.318 3.960 -0.003 0.000 0.273 382 G C 0.683 175.518 174.900 -0.108 0.000 1.189 382 G CA 0.294 45.186 45.100 -0.346 0.000 0.881 382 G HN 0.977 nan 8.290 nan 0.000 0.535 383 Q N -0.082 119.666 119.800 -0.088 0.000 2.142 383 Q HA -0.302 4.037 4.340 -0.003 0.000 0.213 383 Q C 1.982 177.983 176.000 0.002 0.000 1.004 383 Q CA 2.783 58.579 55.803 -0.012 0.000 0.883 383 Q CB -0.238 28.498 28.738 -0.002 0.000 0.939 383 Q HN 0.734 nan 8.270 nan 0.000 0.413 384 D N -0.106 120.288 120.400 -0.010 0.000 2.123 384 D HA -0.234 4.404 4.640 -0.003 0.000 0.196 384 D C 1.468 177.786 176.300 0.030 0.000 0.992 384 D CA 1.917 55.925 54.000 0.013 0.000 0.833 384 D CB -0.661 40.147 40.800 0.013 0.000 0.954 384 D HN 0.582 nan 8.370 nan 0.000 0.455 385 E N 0.020 120.237 120.200 0.028 0.000 2.077 385 E HA -0.106 4.242 4.350 -0.003 0.000 0.193 385 E C 2.296 178.943 176.600 0.079 0.000 0.989 385 E CA 0.579 57.008 56.400 0.049 0.000 0.800 385 E CB -0.161 29.560 29.700 0.035 0.000 0.746 385 E HN 0.226 nan 8.360 nan 0.000 0.452 386 L N 0.782 122.043 121.223 0.062 0.000 2.083 386 L HA -0.179 4.159 4.340 -0.003 0.000 0.209 386 L C 2.360 179.302 176.870 0.120 0.000 1.083 386 L CA 1.308 56.206 54.840 0.097 0.000 0.752 386 L CB -0.594 41.503 42.059 0.062 0.000 0.899 386 L HN 0.109 nan 8.230 nan 0.000 0.433 387 L N -0.857 120.411 121.223 0.075 0.000 2.131 387 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 387 L C 2.144 179.048 176.870 0.058 0.000 1.092 387 L CA 0.954 55.828 54.840 0.057 0.000 0.759 387 L CB -0.618 41.464 42.059 0.037 0.000 0.903 387 L HN 0.301 nan 8.230 nan 0.000 0.435 388 D N -0.935 119.510 120.400 0.074 0.000 2.084 388 D HA -0.211 4.427 4.640 -0.003 0.000 0.199 388 D C 1.662 178.006 176.300 0.074 0.000 0.981 388 D CA 1.013 55.052 54.000 0.064 0.000 0.841 388 D CB -0.467 40.379 40.800 0.075 0.000 0.997 388 D HN 0.269 nan 8.370 nan 0.000 0.454 389 W N 1.346 122.607 121.300 -0.065 0.000 2.290 389 W HA -0.193 4.465 4.660 -0.003 0.000 0.318 389 W C 1.860 178.319 176.519 -0.099 0.000 1.248 389 W CA 1.220 58.502 57.345 -0.104 0.000 1.263 389 W CB -0.219 29.162 29.460 -0.132 0.000 1.147 389 W HN -0.048 nan 8.180 nan 0.000 0.494 390 L N 0.456 121.731 121.223 0.088 0.000 2.478 390 L HA -0.016 4.322 4.340 -0.003 0.000 0.223 390 L C 1.343 178.169 176.870 -0.073 0.000 1.140 390 L CA 1.020 55.846 54.840 -0.024 0.000 0.842 390 L CB -2.072 40.033 42.059 0.076 0.000 0.953 390 L HN 0.022 nan 8.230 nan 0.000 0.452 391 Q N 1.324 121.094 119.800 -0.051 0.000 2.436 391 Q HA 0.024 4.362 4.340 -0.003 0.000 0.326 391 Q C 1.127 177.078 176.000 -0.082 0.000 1.079 391 Q CA 1.335 57.108 55.803 -0.049 0.000 1.049 391 Q CB 0.205 28.922 28.738 -0.035 0.000 1.047 391 Q HN 0.566 nan 8.270 nan 0.000 0.386 392 G N 4.013 112.776 108.800 -0.060 0.000 2.194 392 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.236 392 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.236 392 G C -0.300 174.559 174.900 -0.069 0.000 0.987 392 G CA 0.095 45.157 45.100 -0.064 0.000 0.635 392 G HN 0.578 nan 8.290 nan 0.000 0.520 393 E N 1.556 121.712 120.200 -0.074 0.000 2.197 393 E HA 0.334 4.682 4.350 -0.003 0.000 0.281 393 E C -1.363 175.215 176.600 -0.036 0.000 0.995 393 E CA -1.538 54.822 56.400 -0.066 0.000 0.808 393 E CB 2.343 31.990 29.700 -0.088 0.000 1.093 393 E HN 0.268 nan 8.360 nan 0.000 0.394 394 P HA -0.102 nan 4.420 nan 0.000 0.206 394 P C 0.010 177.304 177.300 -0.010 0.000 1.085 394 P CA 0.398 63.488 63.100 -0.017 0.000 0.746 394 P CB 0.242 31.933 31.700 -0.015 0.000 0.586 395 R N -0.241 120.255 120.500 -0.006 0.000 2.585 395 R HA 0.298 4.636 4.340 -0.003 0.000 0.275 395 R C -0.515 175.787 176.300 0.004 0.000 1.018 395 R CA 0.197 56.297 56.100 -0.001 0.000 1.072 395 R CB -0.087 30.212 30.300 -0.002 0.000 0.953 395 R HN 0.169 nan 8.270 nan 0.000 0.419 396 V N 3.629 123.549 119.914 0.010 0.000 2.668 396 V HA 0.224 4.343 4.120 -0.003 0.000 0.304 396 V C -0.349 175.759 176.094 0.024 0.000 1.071 396 V CA -0.876 61.437 62.300 0.023 0.000 0.894 396 V CB 2.189 34.029 31.823 0.029 0.000 1.008 396 V HN 0.439 nan 8.190 nan 0.000 0.425 397 V N 5.914 125.843 119.914 0.026 0.000 2.459 397 V HA 0.545 4.664 4.120 -0.003 0.000 0.295 397 V C -0.519 175.594 176.094 0.033 0.000 1.029 397 V CA -0.581 61.729 62.300 0.016 0.000 0.874 397 V CB 1.684 33.502 31.823 -0.009 0.000 0.985 397 V HN 0.600 nan 8.190 nan 0.000 0.438 398 L N 6.167 127.413 121.223 0.037 0.000 2.322 398 L HA 0.818 5.156 4.340 -0.003 0.000 0.279 398 L C 0.102 177.012 176.870 0.067 0.000 1.036 398 L CA 0.060 54.935 54.840 0.058 0.000 0.807 398 L CB 1.696 43.788 42.059 0.055 0.000 1.226 398 L HN 0.642 nan 8.230 nan 0.000 0.433 399 V N -1.241 118.736 119.914 0.106 0.000 3.103 399 V HA 0.602 4.720 4.120 -0.003 0.000 0.311 399 V C -0.295 175.940 176.094 0.234 0.000 1.322 399 V CA -0.903 61.490 62.300 0.155 0.000 1.063 399 V CB 1.520 33.448 31.823 0.175 0.000 1.090 399 V HN 0.829 nan 8.190 nan 0.000 0.462 400 H N 0.325 119.472 119.070 0.129 0.000 2.861 400 H HA 0.033 4.587 4.556 -0.003 0.000 0.319 400 H C -0.146 175.193 175.328 0.018 0.000 0.994 400 H CA 1.700 57.806 56.048 0.098 0.000 1.032 400 H CB -0.955 28.896 29.762 0.149 0.000 1.615 400 H HN 2.328 nan 8.280 nan 0.000 0.357 401 G N 3.183 111.994 108.800 0.019 0.000 2.343 401 G HA2 0.146 4.104 3.960 -0.003 0.000 0.298 401 G HA3 0.146 4.104 3.960 -0.003 0.000 0.298 401 G C -0.886 173.995 174.900 -0.030 0.000 1.644 401 G CA -0.451 44.638 45.100 -0.017 0.000 0.958 401 G HN 0.378 nan 8.290 nan 0.000 0.702 402 E N 0.249 120.415 120.200 -0.057 0.000 2.436 402 E HA 0.091 4.439 4.350 -0.003 0.000 0.262 402 E C 1.257 177.847 176.600 -0.017 0.000 1.063 402 E CA 0.394 56.772 56.400 -0.037 0.000 0.944 402 E CB 1.444 31.118 29.700 -0.044 0.000 0.950 402 E HN 0.678 nan 8.360 nan 0.000 0.444 403 E N 2.021 122.217 120.200 -0.007 0.000 2.058 403 E HA -0.293 4.055 4.350 -0.003 0.000 0.194 403 E C 1.234 177.834 176.600 0.000 0.000 0.997 403 E CA 1.762 58.163 56.400 0.002 0.000 0.801 403 E CB 0.192 29.893 29.700 0.002 0.000 0.746 403 E HN 0.453 nan 8.360 nan 0.000 0.450 404 E N 0.876 121.074 120.200 -0.003 0.000 2.065 404 E HA -0.239 4.109 4.350 -0.003 0.000 0.201 404 E C 2.021 178.620 176.600 -0.001 0.000 1.016 404 E CA 1.571 57.971 56.400 -0.001 0.000 0.818 404 E CB -0.105 29.595 29.700 -0.001 0.000 0.749 404 E HN 0.144 nan 8.360 nan 0.000 0.453 405 K N 0.264 120.657 120.400 -0.012 0.000 1.987 405 K HA -0.156 4.162 4.320 -0.003 0.000 0.216 405 K C 2.204 178.804 176.600 -0.001 0.000 1.051 405 K CA 1.069 57.346 56.287 -0.017 0.000 0.942 405 K CB -0.901 31.566 32.500 -0.055 0.000 0.722 405 K HN 0.085 nan 8.250 nan 0.000 0.444 406 L N 1.324 122.550 121.223 0.003 0.000 2.021 406 L HA -0.209 4.129 4.340 -0.003 0.000 0.215 406 L C 2.446 179.327 176.870 0.019 0.000 1.074 406 L CA 1.408 56.259 54.840 0.018 0.000 0.760 406 L CB -0.924 41.150 42.059 0.024 0.000 0.889 406 L HN 0.137 nan 8.230 nan 0.000 0.433 407 L N -0.895 120.337 121.223 0.015 0.000 2.043 407 L HA -0.259 4.079 4.340 -0.003 0.000 0.212 407 L C 2.678 179.557 176.870 0.016 0.000 1.075 407 L CA 2.149 56.997 54.840 0.014 0.000 0.752 407 L CB -1.850 40.216 42.059 0.011 0.000 0.891 407 L HN 0.359 nan 8.230 nan 0.000 0.432 408 A N -0.099 122.730 122.820 0.015 0.000 1.841 408 A HA -0.261 4.057 4.320 -0.003 0.000 0.216 408 A C 2.412 180.008 177.584 0.020 0.000 1.199 408 A CA 2.031 54.078 52.037 0.018 0.000 0.621 408 A CB -1.006 18.005 19.000 0.019 0.000 0.835 408 A HN 0.408 nan 8.150 nan 0.000 0.445 409 L N -0.492 120.744 121.223 0.023 0.000 2.043 409 L HA -0.155 4.183 4.340 -0.003 0.000 0.212 409 L C 2.478 179.364 176.870 0.026 0.000 1.075 409 L CA 1.875 56.732 54.840 0.027 0.000 0.752 409 L CB -0.719 41.360 42.059 0.033 0.000 0.891 409 L HN 0.444 nan 8.230 nan 0.000 0.432 410 G N -0.464 108.350 108.800 0.024 0.000 2.475 410 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.220 410 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.220 410 G C 1.629 176.540 174.900 0.018 0.000 1.125 410 G CA 1.066 46.179 45.100 0.022 0.000 0.755 410 G HN 0.425 nan 8.290 nan 0.000 0.565 411 K N 0.056 120.466 120.400 0.017 0.000 1.984 411 K HA 0.056 4.374 4.320 -0.003 0.000 0.209 411 K C 2.536 179.145 176.600 0.015 0.000 1.046 411 K CA 0.887 57.183 56.287 0.015 0.000 0.934 411 K CB -0.342 32.166 32.500 0.014 0.000 0.717 411 K HN 0.313 nan 8.250 nan 0.000 0.438 412 L N 1.299 122.532 121.223 0.017 0.000 2.129 412 L HA -0.220 4.118 4.340 -0.003 0.000 0.212 412 L C 2.339 179.218 176.870 0.016 0.000 1.087 412 L CA 0.985 55.835 54.840 0.017 0.000 0.757 412 L CB -0.474 41.596 42.059 0.019 0.000 0.896 412 L HN 0.276 nan 8.230 nan 0.000 0.434 413 L N -0.538 120.696 121.223 0.017 0.000 2.217 413 L HA -0.101 4.237 4.340 -0.003 0.000 0.211 413 L C 2.816 179.692 176.870 0.010 0.000 1.107 413 L CA 0.787 55.636 54.840 0.015 0.000 0.783 413 L CB -0.618 41.452 42.059 0.019 0.000 0.919 413 L HN 0.229 nan 8.230 nan 0.000 0.442 414 A N 0.282 123.108 122.820 0.010 0.000 2.014 414 A HA -0.070 4.249 4.320 -0.003 0.000 0.218 414 A C 2.183 179.771 177.584 0.006 0.000 1.163 414 A CA 0.847 52.889 52.037 0.007 0.000 0.652 414 A CB -0.493 18.512 19.000 0.008 0.000 0.808 414 A HN 0.373 nan 8.150 nan 0.000 0.449 415 L N -1.292 119.936 121.223 0.008 0.000 2.265 415 L HA -0.128 4.210 4.340 -0.003 0.000 0.215 415 L C 2.219 179.092 176.870 0.005 0.000 1.117 415 L CA 1.124 55.968 54.840 0.007 0.000 0.782 415 L CB -0.398 41.666 42.059 0.009 0.000 0.914 415 L HN 0.309 nan 8.230 nan 0.000 0.441 416 R N -0.205 120.297 120.500 0.004 0.000 2.393 416 R HA 0.199 4.537 4.340 -0.003 0.000 0.244 416 R C 1.208 177.508 176.300 -0.001 0.000 0.920 416 R CA 0.512 56.612 56.100 0.001 0.000 1.076 416 R CB 0.554 30.854 30.300 0.001 0.000 1.119 416 R HN 0.365 nan 8.270 nan 0.000 0.524 417 G N 1.033 109.833 108.800 0.000 0.000 2.159 417 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.256 417 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.256 417 G C -0.055 174.843 174.900 -0.002 0.000 0.977 417 G CA -0.197 44.902 45.100 -0.001 0.000 0.652 417 G HN 0.357 nan 8.290 nan 0.000 0.531 418 Q N 0.410 120.210 119.800 -0.001 0.000 2.288 418 Q HA 0.374 4.712 4.340 -0.003 0.000 0.258 418 Q C 0.194 176.195 176.000 0.002 0.000 0.957 418 Q CA -0.242 55.560 55.803 -0.001 0.000 0.919 418 Q CB 1.145 29.882 28.738 -0.000 0.000 1.185 418 Q HN 0.536 nan 8.270 nan 0.000 0.408 419 E N 3.113 123.314 120.200 0.001 0.000 2.180 419 E HA 0.207 4.555 4.350 -0.003 0.000 0.283 419 E C -0.469 176.134 176.600 0.006 0.000 1.061 419 E CA -0.412 55.989 56.400 0.002 0.000 0.861 419 E CB 0.642 30.342 29.700 0.000 0.000 1.056 419 E HN 0.461 nan 8.360 nan 0.000 0.407 420 V N 1.485 121.404 119.914 0.008 0.000 3.485 420 V HA 0.856 4.974 4.120 -0.003 0.000 0.293 420 V C -0.287 175.813 176.094 0.010 0.000 1.253 420 V CA 0.226 62.533 62.300 0.012 0.000 0.991 420 V CB 1.222 33.056 31.823 0.017 0.000 1.252 420 V HN 0.893 nan 8.190 nan 0.000 0.473 421 S N -0.837 114.871 115.700 0.013 0.000 2.708 421 S HA 0.445 4.913 4.470 -0.003 0.000 0.274 421 S C -1.886 172.723 174.600 0.015 0.000 0.927 421 S CA -0.725 57.482 58.200 0.011 0.000 1.002 421 S CB 0.008 63.211 63.200 0.005 0.000 1.265 421 S HN 1.261 nan 8.310 nan 0.000 0.457 422 L N 1.543 122.775 121.223 0.015 0.000 2.346 422 L HA 0.889 5.227 4.340 -0.003 0.000 0.274 422 L C 0.665 177.545 176.870 0.017 0.000 1.007 422 L CA -0.192 54.661 54.840 0.022 0.000 0.818 422 L CB 1.551 43.625 42.059 0.025 0.000 1.284 422 L HN 1.159 nan 8.230 nan 0.000 0.424 423 A N 3.249 126.082 122.820 0.023 0.000 2.409 423 A HA 0.598 4.916 4.320 -0.003 0.000 0.262 423 A C -0.012 177.591 177.584 0.031 0.000 1.113 423 A CA -0.299 51.745 52.037 0.012 0.000 0.790 423 A CB 0.046 19.052 19.000 0.011 0.000 1.046 423 A HN 0.695 nan 8.150 nan 0.000 0.496 424 R N 1.454 121.959 120.500 0.009 0.000 2.460 424 R HA 0.317 4.655 4.340 -0.003 0.000 0.303 424 R C -0.698 175.619 176.300 0.028 0.000 0.968 424 R CA -0.587 55.537 56.100 0.040 0.000 0.889 424 R CB 1.368 31.683 30.300 0.025 0.000 1.123 424 R HN 0.716 nan 8.270 nan 0.000 0.455 425 F N 1.560 121.495 119.950 -0.026 0.000 2.642 425 F HA -0.027 4.498 4.527 -0.003 0.000 0.371 425 F C 1.531 177.272 175.800 -0.099 0.000 1.120 425 F CA 2.247 60.225 58.000 -0.036 0.000 1.331 425 F CB 0.486 39.508 39.000 0.036 0.000 1.044 425 F HN 0.905 nan 8.300 nan 0.000 0.594 426 G N 3.445 111.621 108.800 -1.039 0.000 2.343 426 G HA2 -0.388 3.571 3.960 -0.003 0.000 0.264 426 G HA3 -0.388 3.571 3.960 -0.003 0.000 0.264 426 G C 0.510 175.173 174.900 -0.394 0.000 0.989 426 G CA 0.569 45.236 45.100 -0.721 0.000 0.627 426 G HN 0.735 nan 8.290 nan 0.000 0.549 427 E N 1.826 121.869 120.200 -0.262 0.000 1.932 427 E HA 0.442 4.790 4.350 -0.003 0.000 0.275 427 E C 1.388 177.882 176.600 -0.177 0.000 1.159 427 E CA 0.100 56.408 56.400 -0.153 0.000 0.905 427 E CB -0.186 29.470 29.700 -0.073 0.000 1.059 427 E HN 0.446 nan 8.360 nan 0.000 0.400 428 G N 1.984 110.684 108.800 -0.167 0.000 2.732 428 G HA2 0.181 4.140 3.960 -0.003 0.000 0.244 428 G HA3 0.181 4.140 3.960 -0.003 0.000 0.244 428 G C -0.364 174.479 174.900 -0.095 0.000 1.226 428 G CA -0.324 44.690 45.100 -0.143 0.000 0.860 428 G HN 0.372 nan 8.290 nan 0.000 0.583 429 V N 2.835 122.699 119.914 -0.082 0.000 2.612 429 V HA 0.367 4.485 4.120 -0.003 0.000 0.301 429 V C -2.091 173.977 176.094 -0.042 0.000 1.059 429 V CA -1.195 61.071 62.300 -0.056 0.000 0.886 429 V CB 2.387 34.176 31.823 -0.057 0.000 1.007 429 V HN 0.752 nan 8.190 nan 0.000 0.426 430 P HA 0.382 nan 4.420 nan 0.000 0.274 430 P C -0.640 176.650 177.300 -0.016 0.000 1.231 430 P CA 0.007 63.094 63.100 -0.022 0.000 0.790 430 P CB 2.008 33.698 31.700 -0.017 0.000 0.951 431 V N 0.000 119.908 119.914 -0.011 0.000 2.409 431 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 431 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 431 V CB 0.000 31.825 31.823 0.003 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556