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 3ie2_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK 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 QGEPRVVLVV 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 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 R N 3.272 123.764 120.500 -0.014 0.000 2.740 2 R HA 0.834 5.172 4.340 -0.002 0.000 0.273 2 R C -1.881 174.399 176.300 -0.033 0.000 0.998 2 R CA -1.050 55.035 56.100 -0.023 0.000 0.900 2 R CB 2.254 32.539 30.300 -0.025 0.000 1.223 2 R HN 0.592 nan 8.270 nan 0.000 0.466 3 I N 1.713 122.253 120.570 -0.050 0.000 2.378 3 I HA 0.353 4.521 4.170 -0.002 0.000 0.291 3 I C -1.271 174.784 176.117 -0.103 0.000 0.992 3 I CA -0.854 60.404 61.300 -0.069 0.000 1.154 3 I CB 2.102 40.050 38.000 -0.087 0.000 1.315 3 I HN 0.506 nan 8.210 nan 0.000 0.448 4 V N 9.717 129.564 119.914 -0.112 0.000 2.350 4 V HA 0.457 4.576 4.120 -0.002 0.000 0.285 4 V C -2.306 173.555 176.094 -0.389 0.000 1.014 4 V CA -1.666 60.474 62.300 -0.265 0.000 0.831 4 V CB 1.175 32.845 31.823 -0.255 0.000 1.000 4 V HN 0.651 nan 8.190 nan 0.000 0.433 5 P HA 0.303 nan 4.420 nan 0.000 0.271 5 P C -0.504 176.378 177.300 -0.697 0.000 1.216 5 P CA 0.122 63.108 63.100 -0.190 0.000 0.771 5 P CB 0.289 31.936 31.700 -0.089 0.000 0.864 6 F N 1.857 121.741 119.950 -0.110 0.000 2.811 6 F HA 0.502 5.027 4.527 -0.002 0.000 0.342 6 F C 0.931 176.905 175.800 0.290 0.000 1.203 6 F CA 0.028 57.914 58.000 -0.189 0.000 1.173 6 F CB 0.807 39.868 39.000 0.103 0.000 1.094 6 F HN 0.425 nan 8.300 nan 0.000 0.510 7 G N -1.228 107.798 108.800 0.378 0.000 2.441 7 G HA2 0.482 4.440 3.960 -0.002 0.000 0.294 7 G HA3 0.482 4.440 3.960 -0.002 0.000 0.294 7 G C 0.185 175.271 174.900 0.310 0.000 1.393 7 G CA -0.095 45.193 45.100 0.314 0.000 0.796 7 G HN 0.505 nan 8.290 nan 0.000 0.494 8 A N -1.775 121.186 122.820 0.235 0.000 2.692 8 A HA 0.093 4.412 4.320 -0.002 0.000 0.302 8 A C 1.367 179.087 177.584 0.226 0.000 1.462 8 A CA 1.972 54.139 52.037 0.216 0.000 1.012 8 A CB -1.571 17.552 19.000 0.205 0.000 0.914 8 A HN 2.560 nan 8.150 nan 0.000 0.544 9 A N -0.898 122.086 122.820 0.273 0.000 2.457 9 A HA 0.555 4.873 4.320 -0.002 0.000 0.298 9 A C 1.306 178.978 177.584 0.146 0.000 1.288 9 A CA 0.702 52.864 52.037 0.207 0.000 0.956 9 A CB -0.342 18.822 19.000 0.273 0.000 1.135 9 A HN 1.115 nan 8.150 nan 0.000 0.535 10 R N -0.369 120.190 120.500 0.097 0.000 3.870 10 R HA -0.239 4.100 4.340 -0.002 0.000 0.463 10 R C 0.673 177.004 176.300 0.053 0.000 0.790 10 R CA 2.183 58.320 56.100 0.060 0.000 1.576 10 R CB -1.469 28.861 30.300 0.051 0.000 2.233 10 R HN 0.975 nan 8.270 nan 0.000 0.463 11 E N 0.286 120.535 120.200 0.083 0.000 2.803 11 E HA 0.407 4.756 4.350 -0.002 0.000 0.250 11 E C 1.075 177.717 176.600 0.070 0.000 1.102 11 E CA -0.108 56.338 56.400 0.076 0.000 1.017 11 E CB 0.703 30.472 29.700 0.114 0.000 1.346 11 E HN 0.021 nan 8.360 nan 0.000 0.532 12 V N -3.136 116.816 119.914 0.063 0.000 3.455 12 V HA 0.148 4.266 4.120 -0.002 0.000 0.250 12 V C 0.843 176.953 176.094 0.028 0.000 1.230 12 V CA 0.945 63.262 62.300 0.029 0.000 1.105 12 V CB -0.021 31.796 31.823 -0.010 0.000 0.850 12 V HN 0.779 nan 8.190 nan 0.000 0.461 13 T N -3.215 111.380 114.554 0.069 0.000 2.919 13 T HA 0.680 5.029 4.350 -0.002 0.000 0.282 13 T C 1.043 175.697 174.700 -0.077 0.000 1.020 13 T CA 0.214 62.313 62.100 -0.002 0.000 0.994 13 T CB 1.150 70.045 68.868 0.044 0.000 1.180 13 T HN 1.755 nan 8.240 nan 0.000 0.566 14 G N 0.398 108.988 108.800 -0.350 0.000 2.143 14 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.249 14 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.249 14 G C 0.239 174.859 174.900 -0.467 0.000 0.981 14 G CA 0.048 44.659 45.100 -0.815 0.000 0.665 14 G HN 1.084 nan 8.290 nan 0.000 0.528 15 S N 0.423 115.950 115.700 -0.289 0.000 2.784 15 S HA 0.422 4.890 4.470 -0.002 0.000 0.322 15 S C 0.584 174.997 174.600 -0.312 0.000 1.234 15 S CA 1.125 59.209 58.200 -0.193 0.000 1.064 15 S CB 0.595 63.773 63.200 -0.036 0.000 0.787 15 S HN 1.972 nan 8.310 nan 0.000 0.506 16 A N 4.905 127.314 122.820 -0.685 0.000 2.511 16 A HA 0.520 4.839 4.320 -0.002 0.000 0.292 16 A C -1.264 175.899 177.584 -0.701 0.000 1.045 16 A CA -0.815 50.927 52.037 -0.491 0.000 0.870 16 A CB 0.920 19.889 19.000 -0.052 0.000 1.361 16 A HN 0.811 nan 8.150 nan 0.000 0.396 17 H N 2.535 121.581 119.070 -0.040 0.000 2.744 17 H HA 0.428 4.983 4.556 -0.002 0.000 0.339 17 H C -1.166 174.091 175.328 -0.118 0.000 1.004 17 H CA -0.732 55.259 56.048 -0.095 0.000 1.257 17 H CB 1.857 31.447 29.762 -0.287 0.000 1.552 17 H HN 0.550 nan 8.280 nan 0.000 0.522 18 L N 4.322 125.567 121.223 0.036 0.000 2.315 18 L HA 0.157 4.496 4.340 -0.002 0.000 0.283 18 L C -0.593 176.241 176.870 -0.060 0.000 1.089 18 L CA -0.549 54.224 54.840 -0.112 0.000 0.833 18 L CB 0.258 42.238 42.059 -0.131 0.000 1.170 18 L HN 0.432 nan 8.230 nan 0.000 0.442 19 L N 6.780 127.957 121.223 -0.078 0.000 2.255 19 L HA 0.435 4.774 4.340 -0.002 0.000 0.289 19 L C -1.018 175.824 176.870 -0.047 0.000 1.046 19 L CA 0.071 54.883 54.840 -0.047 0.000 0.816 19 L CB 0.536 42.578 42.059 -0.028 0.000 1.197 19 L HN 0.509 nan 8.230 nan 0.000 0.427 20 L N 6.577 127.779 121.223 -0.034 0.000 2.255 20 L HA 0.855 5.194 4.340 -0.002 0.000 0.289 20 L C 0.027 176.887 176.870 -0.017 0.000 1.046 20 L CA -0.221 54.602 54.840 -0.027 0.000 0.816 20 L CB 0.713 42.761 42.059 -0.018 0.000 1.197 20 L HN 0.863 nan 8.230 nan 0.000 0.427 21 A N 1.691 124.502 122.820 -0.015 0.000 2.567 21 A HA 0.611 4.930 4.320 -0.002 0.000 0.291 21 A C 0.440 178.020 177.584 -0.007 0.000 1.048 21 A CA -0.021 52.012 52.037 -0.008 0.000 0.661 21 A CB 0.829 19.828 19.000 -0.003 0.000 1.288 21 A HN 0.843 nan 8.150 nan 0.000 0.424 22 G N -0.523 108.274 108.800 -0.005 0.000 2.269 22 G HA2 0.192 4.150 3.960 -0.002 0.000 0.277 22 G HA3 0.192 4.150 3.960 -0.002 0.000 0.277 22 G C 1.850 176.747 174.900 -0.006 0.000 1.008 22 G CA 1.783 46.879 45.100 -0.006 0.000 0.774 22 G HN 2.988 nan 8.290 nan 0.000 0.511 23 G N -2.267 106.530 108.800 -0.006 0.000 2.136 23 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.242 23 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.242 23 G C 0.356 175.253 174.900 -0.005 0.000 0.989 23 G CA 1.051 46.148 45.100 -0.005 0.000 0.682 23 G HN 0.957 nan 8.290 nan 0.000 0.522 24 R N -0.888 119.607 120.500 -0.008 0.000 2.888 24 R HA 0.742 5.081 4.340 -0.002 0.000 0.264 24 R C -0.086 176.200 176.300 -0.023 0.000 1.045 24 R CA -0.955 55.139 56.100 -0.009 0.000 0.962 24 R CB 1.068 31.365 30.300 -0.005 0.000 1.210 24 R HN 0.308 nan 8.270 nan 0.000 0.479 25 R N 0.441 120.921 120.500 -0.033 0.000 2.521 25 R HA 0.427 4.765 4.340 -0.002 0.000 0.295 25 R C -0.974 175.270 176.300 -0.092 0.000 1.183 25 R CA -0.552 55.505 56.100 -0.072 0.000 0.957 25 R CB 1.829 32.077 30.300 -0.087 0.000 1.171 25 R HN 0.174 nan 8.270 nan 0.000 0.494 26 V N 4.264 124.124 119.914 -0.091 0.000 2.417 26 V HA 0.323 4.441 4.120 -0.002 0.000 0.291 26 V C 0.161 176.170 176.094 -0.142 0.000 1.024 26 V CA -0.828 61.420 62.300 -0.086 0.000 0.861 26 V CB 1.960 33.764 31.823 -0.032 0.000 0.985 26 V HN 0.613 nan 8.190 nan 0.000 0.436 27 L N 5.506 126.608 121.223 -0.200 0.000 2.281 27 L HA 0.426 4.764 4.340 -0.002 0.000 0.285 27 L C -0.991 175.819 176.870 -0.100 0.000 1.074 27 L CA -0.651 54.038 54.840 -0.250 0.000 0.817 27 L CB 1.225 43.046 42.059 -0.397 0.000 1.168 27 L HN 0.492 nan 8.230 nan 0.000 0.434 28 L N 5.512 126.701 121.223 -0.057 0.000 2.259 28 L HA 0.396 4.734 4.340 -0.002 0.000 0.288 28 L C -0.495 176.423 176.870 0.081 0.000 1.051 28 L CA 0.196 55.077 54.840 0.069 0.000 0.824 28 L CB 0.227 42.305 42.059 0.031 0.000 1.206 28 L HN 0.605 nan 8.230 nan 0.000 0.429 29 D N 1.444 121.924 120.400 0.134 0.000 10.820 29 D HA -0.249 4.389 4.640 -0.002 0.000 0.345 29 D C -0.582 175.719 176.300 0.002 0.000 3.128 29 D CA 0.425 54.495 54.000 0.116 0.000 2.682 29 D CB -0.214 40.741 40.800 0.258 0.000 1.197 29 D HN 0.638 nan 8.370 nan 0.000 0.939 30 C N 3.168 122.476 119.300 0.014 0.000 3.498 30 C HA 0.612 5.071 4.460 -0.002 0.000 0.218 30 C C 0.703 175.710 174.990 0.029 0.000 1.284 30 C CA 0.445 59.470 59.018 0.011 0.000 1.343 30 C CB -0.612 27.129 27.740 0.001 0.000 1.825 30 C HN 0.605 nan 8.230 nan 0.000 0.518 31 G N 3.674 112.448 108.800 -0.043 0.000 2.476 31 G HA2 0.561 4.520 3.960 -0.002 0.000 0.286 31 G HA3 0.561 4.520 3.960 -0.002 0.000 0.286 31 G C -0.203 174.595 174.900 -0.170 0.000 1.177 31 G CA -0.549 44.496 45.100 -0.093 0.000 0.870 31 G HN 0.865 nan 8.290 nan 0.000 0.528 32 M N 0.172 119.722 119.600 -0.084 0.000 2.314 32 M HA 0.664 5.142 4.480 -0.002 0.000 0.342 32 M C -1.128 175.070 176.300 -0.170 0.000 1.171 32 M CA -0.550 54.707 55.300 -0.072 0.000 1.098 32 M CB 1.183 33.909 32.600 0.210 0.000 1.559 32 M HN 0.216 nan 8.290 nan 0.000 0.459 33 F N 1.347 121.293 119.950 -0.007 0.000 2.410 33 F HA 0.427 4.953 4.527 -0.002 0.000 0.334 33 F C 0.488 176.305 175.800 0.028 0.000 1.134 33 F CA 0.190 58.188 58.000 -0.004 0.000 1.227 33 F CB 0.903 39.879 39.000 -0.040 0.000 1.194 33 F HN 0.623 nan 8.300 nan 0.000 0.571 34 Q N 0.005 119.942 119.800 0.229 0.000 2.456 34 Q HA 0.526 4.864 4.340 -0.002 0.000 0.284 34 Q C 0.423 176.501 176.000 0.130 0.000 1.061 34 Q CA -0.397 55.502 55.803 0.160 0.000 0.799 34 Q CB 2.498 31.311 28.738 0.126 0.000 1.445 34 Q HN 0.852 nan 8.270 nan 0.000 0.411 35 G N 1.713 110.578 108.800 0.109 0.000 2.620 35 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.315 35 G HA3 -0.393 3.566 3.960 -0.002 0.000 0.315 35 G C 0.718 175.654 174.900 0.060 0.000 1.179 35 G CA 0.611 45.761 45.100 0.084 0.000 0.971 35 G HN 0.592 nan 8.290 nan 0.000 0.544 36 K N 1.476 121.904 120.400 0.047 0.000 2.211 36 K HA -0.074 4.244 4.320 -0.002 0.000 0.204 36 K C 1.893 178.487 176.600 -0.009 0.000 1.047 36 K CA 1.896 58.194 56.287 0.017 0.000 0.935 36 K CB -0.144 32.364 32.500 0.014 0.000 0.728 36 K HN 0.693 nan 8.250 nan 0.000 0.452 37 E N 0.348 120.553 120.200 0.008 0.000 2.511 37 E HA -0.053 4.295 4.350 -0.002 0.000 0.209 37 E C 1.605 178.183 176.600 -0.037 0.000 0.986 37 E CA 0.147 56.505 56.400 -0.070 0.000 0.974 37 E CB 0.306 29.943 29.700 -0.105 0.000 1.030 37 E HN 0.345 nan 8.360 nan 0.000 0.490 38 E N 2.576 122.824 120.200 0.079 0.000 2.233 38 E HA -0.296 4.053 4.350 -0.002 0.000 0.210 38 E C 1.815 178.465 176.600 0.083 0.000 1.046 38 E CA 2.187 58.664 56.400 0.128 0.000 0.844 38 E CB -0.496 29.283 29.700 0.132 0.000 0.741 38 E HN 0.157 nan 8.360 nan 0.000 0.465 39 A N 0.755 123.581 122.820 0.010 0.000 1.997 39 A HA -0.256 4.063 4.320 -0.002 0.000 0.221 39 A C 2.229 179.789 177.584 -0.040 0.000 1.172 39 A CA 1.868 53.898 52.037 -0.012 0.000 0.645 39 A CB -0.622 18.330 19.000 -0.081 0.000 0.813 39 A HN 0.319 nan 8.150 nan 0.000 0.454 40 R N -0.248 120.142 120.500 -0.182 0.000 2.152 40 R HA -0.123 4.215 4.340 -0.002 0.000 0.232 40 R C 1.371 177.593 176.300 -0.131 0.000 1.117 40 R CA 1.380 57.303 56.100 -0.296 0.000 0.981 40 R CB -0.656 29.089 30.300 -0.924 0.000 0.870 40 R HN 0.740 nan 8.270 nan 0.000 0.451 41 N N 0.022 118.656 118.700 -0.110 0.000 2.588 41 N HA -0.132 4.607 4.740 -0.002 0.000 0.190 41 N C 0.866 175.867 175.510 -0.847 0.000 1.094 41 N CA 0.459 53.143 53.050 -0.609 0.000 0.921 41 N CB -0.012 37.841 38.487 -1.058 0.000 0.959 41 N HN 0.368 nan 8.380 nan 0.000 0.448 42 H N -0.892 117.970 119.070 -0.347 0.000 2.652 42 H HA 0.346 4.900 4.556 -0.002 0.000 0.274 42 H C 0.295 175.511 175.328 -0.187 0.000 1.021 42 H CA -0.150 55.773 56.048 -0.209 0.000 1.187 42 H CB 0.648 30.348 29.762 -0.103 0.000 1.505 42 H HN 0.130 nan 8.280 nan 0.000 0.530 43 A N 2.345 125.073 122.820 -0.154 0.000 2.299 43 A HA 0.483 4.802 4.320 -0.002 0.000 0.332 43 A C -2.042 175.397 177.584 -0.242 0.000 1.131 43 A CA -1.563 50.381 52.037 -0.156 0.000 0.844 43 A CB 0.743 19.652 19.000 -0.152 0.000 1.251 43 A HN -0.051 nan 8.150 nan 0.000 0.486 44 P HA 0.035 nan 4.420 nan 0.000 0.269 44 P C 0.012 177.151 177.300 -0.268 0.000 1.217 44 P CA 0.146 63.113 63.100 -0.221 0.000 0.783 44 P CB 0.299 31.941 31.700 -0.097 0.000 0.898 45 F N 0.354 120.100 119.950 -0.341 0.000 2.163 45 F HA 0.104 4.630 4.527 -0.002 0.000 0.297 45 F C 2.220 177.672 175.800 -0.580 0.000 1.094 45 F CA 2.180 59.804 58.000 -0.627 0.000 1.290 45 F CB -0.778 37.336 39.000 -1.478 0.000 1.017 45 F HN 0.626 nan 8.300 nan 0.000 0.483 46 G N -0.540 108.081 108.800 -0.298 0.000 2.175 46 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.182 46 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.182 46 G C -0.060 174.702 174.900 -0.230 0.000 1.003 46 G CA -0.157 44.907 45.100 -0.060 0.000 0.666 46 G HN 0.484 nan 8.290 nan 0.000 0.506 47 F N -1.131 118.652 119.950 -0.279 0.000 2.665 47 F HA 0.667 5.193 4.527 -0.002 0.000 0.308 47 F C -0.894 174.809 175.800 -0.161 0.000 1.112 47 F CA -1.604 56.226 58.000 -0.283 0.000 0.972 47 F CB 1.029 39.695 39.000 -0.555 0.000 1.295 47 F HN -0.050 nan 8.300 nan 0.000 0.440 48 D N 5.371 125.863 120.400 0.154 0.000 2.346 48 D HA 0.173 4.812 4.640 -0.002 0.000 0.267 48 D C -1.288 175.103 176.300 0.150 0.000 1.320 48 D CA -2.315 51.745 54.000 0.100 0.000 0.951 48 D CB 1.184 42.025 40.800 0.068 0.000 1.079 48 D HN 0.384 nan 8.370 nan 0.000 0.509 49 P HA -0.161 nan 4.420 nan 0.000 0.223 49 P C 0.628 177.965 177.300 0.062 0.000 1.144 49 P CA 0.829 63.941 63.100 0.021 0.000 0.783 49 P CB 0.290 31.913 31.700 -0.129 0.000 0.771 50 K N -0.382 120.059 120.400 0.069 0.000 2.525 50 K HA -0.013 4.306 4.320 -0.002 0.000 0.192 50 K C 1.424 178.059 176.600 0.058 0.000 1.029 50 K CA 0.528 56.853 56.287 0.064 0.000 1.029 50 K CB 0.121 32.641 32.500 0.033 0.000 0.814 50 K HN 0.109 nan 8.250 nan 0.000 0.503 51 E N 0.250 120.480 120.200 0.050 0.000 2.460 51 E HA 0.043 4.392 4.350 -0.002 0.000 0.200 51 E C 0.125 176.727 176.600 0.003 0.000 1.011 51 E CA 0.083 56.497 56.400 0.023 0.000 0.912 51 E CB 0.503 30.212 29.700 0.014 0.000 0.953 51 E HN -0.067 nan 8.360 nan 0.000 0.494 52 V N 2.932 122.843 119.914 -0.004 0.000 2.740 52 V HA -0.038 4.080 4.120 -0.002 0.000 0.303 52 V C 1.188 177.364 176.094 0.138 0.000 1.054 52 V CA 0.487 62.748 62.300 -0.065 0.000 1.106 52 V CB 1.047 32.674 31.823 -0.326 0.000 0.957 52 V HN 0.071 nan 8.190 nan 0.000 0.486 53 D N 2.453 122.901 120.400 0.079 0.000 2.324 53 D HA 0.359 4.998 4.640 -0.002 0.000 0.212 53 D C 0.466 176.886 176.300 0.201 0.000 0.984 53 D CA 1.160 55.233 54.000 0.122 0.000 0.885 53 D CB 1.026 41.861 40.800 0.059 0.000 0.996 53 D HN 0.671 nan 8.370 nan 0.000 0.505 54 A N 0.150 123.069 122.820 0.165 0.000 2.583 54 A HA 0.501 4.819 4.320 -0.002 0.000 0.292 54 A C -1.674 175.956 177.584 0.077 0.000 1.045 54 A CA -0.594 51.579 52.037 0.228 0.000 0.672 54 A CB 1.551 20.736 19.000 0.308 0.000 1.283 54 A HN -0.017 nan 8.150 nan 0.000 0.419 55 V N 0.752 120.726 119.914 0.101 0.000 2.876 55 V HA 0.902 5.021 4.120 -0.002 0.000 0.312 55 V C -1.844 174.348 176.094 0.163 0.000 1.085 55 V CA -0.768 61.544 62.300 0.020 0.000 0.945 55 V CB 1.637 33.381 31.823 -0.132 0.000 1.017 55 V HN 0.991 nan 8.190 nan 0.000 0.428 56 L N 5.494 126.816 121.223 0.164 0.000 2.346 56 L HA 0.679 5.018 4.340 -0.002 0.000 0.276 56 L C -0.884 176.145 176.870 0.264 0.000 1.006 56 L CA -0.369 54.638 54.840 0.277 0.000 0.817 56 L CB 1.769 43.986 42.059 0.262 0.000 1.272 56 L HN 0.606 nan 8.230 nan 0.000 0.421 57 L N 2.366 123.742 121.223 0.255 0.000 2.298 57 L HA 0.398 4.736 4.340 -0.002 0.000 0.284 57 L C 1.377 178.214 176.870 -0.055 0.000 1.013 57 L CA 0.003 54.897 54.840 0.089 0.000 0.824 57 L CB 1.361 43.433 42.059 0.021 0.000 1.221 57 L HN 0.826 nan 8.230 nan 0.000 0.418 58 T N -0.540 113.959 114.554 -0.091 0.000 2.788 58 T HA -0.041 4.308 4.350 -0.002 0.000 0.268 58 T C 0.546 175.120 174.700 -0.211 0.000 1.044 58 T CA 1.435 63.411 62.100 -0.208 0.000 1.139 58 T CB -0.355 68.421 68.868 -0.154 0.000 0.867 58 T HN 0.685 nan 8.240 nan 0.000 0.454 59 H N -2.334 116.590 119.070 -0.244 0.000 2.935 59 H HA 0.557 5.111 4.556 -0.002 0.000 0.297 59 H C -0.155 175.069 175.328 -0.172 0.000 1.423 59 H CA -0.523 55.368 56.048 -0.262 0.000 1.161 59 H CB 1.026 30.611 29.762 -0.294 0.000 1.841 59 H HN 0.072 nan 8.280 nan 0.000 0.506 60 A N 0.713 123.489 122.820 -0.074 0.000 2.268 60 A HA 0.043 4.362 4.320 -0.002 0.000 0.221 60 A C 0.133 177.777 177.584 0.099 0.000 1.287 60 A CA -0.051 51.962 52.037 -0.040 0.000 0.902 60 A CB -1.554 17.413 19.000 -0.055 0.000 0.877 60 A HN 0.590 nan 8.150 nan 0.000 0.487 61 H N -0.699 118.479 119.070 0.179 0.000 2.683 61 H HA 0.141 4.695 4.556 -0.002 0.000 0.339 61 H C 1.023 176.439 175.328 0.146 0.000 1.081 61 H CA -1.009 55.175 56.048 0.228 0.000 1.432 61 H CB 0.958 31.015 29.762 0.491 0.000 1.462 61 H HN 0.149 nan 8.280 nan 0.000 0.557 62 L N 2.666 124.038 121.223 0.248 0.000 2.051 62 L HA -0.240 4.099 4.340 -0.002 0.000 0.214 62 L C 2.003 178.947 176.870 0.123 0.000 1.076 62 L CA 1.741 56.678 54.840 0.162 0.000 0.758 62 L CB -0.716 41.428 42.059 0.143 0.000 0.890 62 L HN 0.805 nan 8.230 nan 0.000 0.433 63 D N -2.999 117.465 120.400 0.106 0.000 2.358 63 D HA -0.154 4.485 4.640 -0.002 0.000 0.241 63 D C 1.254 177.404 176.300 -0.249 0.000 1.094 63 D CA 0.681 54.650 54.000 -0.051 0.000 0.907 63 D CB -0.261 40.498 40.800 -0.068 0.000 0.893 63 D HN 0.508 nan 8.370 nan 0.000 0.528 64 H N -1.424 117.655 119.070 0.015 0.000 3.771 64 H HA 0.205 4.759 4.556 -0.002 0.000 0.260 64 H C 1.053 176.346 175.328 -0.057 0.000 1.158 64 H CA 0.133 56.150 56.048 -0.053 0.000 1.170 64 H CB 1.477 31.107 29.762 -0.219 0.000 1.539 64 H HN 0.051 nan 8.280 nan 0.000 0.634 65 V N -0.443 119.521 119.914 0.083 0.000 3.480 65 V HA 0.113 4.232 4.120 -0.002 0.000 0.263 65 V C 2.410 178.542 176.094 0.064 0.000 1.442 65 V CA 0.973 63.305 62.300 0.052 0.000 1.053 65 V CB 0.736 32.577 31.823 0.030 0.000 0.846 65 V HN 0.418 nan 8.190 nan 0.000 0.440 66 G N 1.521 110.379 108.800 0.098 0.000 2.759 66 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.224 66 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.224 66 G C 1.489 176.530 174.900 0.234 0.000 1.173 66 G CA 1.534 46.739 45.100 0.176 0.000 0.770 66 G HN 0.485 nan 8.290 nan 0.000 0.626 67 R N -0.264 120.370 120.500 0.223 0.000 2.313 67 R HA 0.213 4.551 4.340 -0.002 0.000 0.199 67 R C 2.273 178.729 176.300 0.260 0.000 0.958 67 R CA -0.013 56.283 56.100 0.327 0.000 1.047 67 R CB -0.219 30.263 30.300 0.303 0.000 0.955 67 R HN 0.365 nan 8.270 nan 0.000 0.481 68 L N 2.510 123.803 121.223 0.117 0.000 2.013 68 L HA -0.137 4.201 4.340 -0.002 0.000 0.212 68 L C -0.937 176.035 176.870 0.169 0.000 1.073 68 L CA 2.131 57.045 54.840 0.124 0.000 0.753 68 L CB -0.798 41.310 42.059 0.082 0.000 0.890 68 L HN 0.056 nan 8.230 nan 0.000 0.432 69 P HA -0.223 nan 4.420 nan 0.000 0.218 69 P C 1.433 178.738 177.300 0.009 0.000 1.149 69 P CA 1.580 64.525 63.100 -0.259 0.000 0.817 69 P CB -0.101 30.983 31.700 -1.026 0.000 0.785 70 K N -0.100 120.368 120.400 0.113 0.000 2.009 70 K HA -0.164 4.155 4.320 -0.002 0.000 0.210 70 K C 2.196 179.025 176.600 0.382 0.000 1.049 70 K CA 1.064 57.568 56.287 0.362 0.000 0.929 70 K CB -0.798 31.984 32.500 0.470 0.000 0.714 70 K HN -0.092 nan 8.250 nan 0.000 0.440 71 L N 0.694 122.156 121.223 0.399 0.000 2.051 71 L HA -0.202 4.136 4.340 -0.002 0.000 0.214 71 L C 1.976 178.841 176.870 -0.008 0.000 1.076 71 L CA 1.807 56.702 54.840 0.092 0.000 0.758 71 L CB -0.462 41.467 42.059 -0.216 0.000 0.890 71 L HN 0.199 nan 8.230 nan 0.000 0.433 72 F N -0.958 119.039 119.950 0.077 0.000 2.206 72 F HA -0.069 4.457 4.527 -0.002 0.000 0.298 72 F C 2.661 178.496 175.800 0.059 0.000 1.090 72 F CA 1.283 59.314 58.000 0.051 0.000 1.323 72 F CB -0.537 38.443 39.000 -0.034 0.000 1.028 72 F HN 0.024 nan 8.300 nan 0.000 0.492 73 R N 1.091 121.738 120.500 0.245 0.000 2.105 73 R HA -0.166 4.173 4.340 -0.002 0.000 0.239 73 R C 0.743 177.129 176.300 0.142 0.000 1.135 73 R CA 1.699 57.910 56.100 0.186 0.000 0.967 73 R CB -0.296 30.130 30.300 0.210 0.000 0.861 73 R HN 0.322 nan 8.270 nan 0.000 0.442 74 E N -1.067 119.222 120.200 0.148 0.000 2.311 74 E HA 0.141 4.490 4.350 -0.002 0.000 0.198 74 E C 0.512 177.154 176.600 0.070 0.000 1.115 74 E CA 0.279 56.747 56.400 0.114 0.000 1.140 74 E CB 0.841 30.636 29.700 0.158 0.000 1.204 74 E HN 0.646 nan 8.360 nan 0.000 0.446 75 G N 1.429 110.258 108.800 0.048 0.000 2.397 75 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.211 75 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.211 75 G C 0.100 174.971 174.900 -0.048 0.000 1.077 75 G CA -0.243 44.864 45.100 0.011 0.000 0.649 75 G HN 0.467 nan 8.290 nan 0.000 0.511 76 Y N 2.656 122.817 120.300 -0.231 0.000 2.969 76 Y HA 0.313 4.861 4.550 -0.002 0.000 0.339 76 Y C 1.266 176.892 175.900 -0.457 0.000 1.272 76 Y CA 0.944 58.811 58.100 -0.389 0.000 1.577 76 Y CB 0.477 38.565 38.460 -0.620 0.000 1.234 76 Y HN 0.186 nan 8.280 nan 0.000 0.590 77 R N 4.416 124.306 120.500 -1.016 0.000 2.563 77 R HA 0.227 4.565 4.340 -0.002 0.000 0.443 77 R C 0.227 176.162 176.300 -0.607 0.000 0.956 77 R CA 0.273 55.977 56.100 -0.661 0.000 1.141 77 R CB 0.506 30.677 30.300 -0.216 0.000 1.553 77 R HN 0.836 nan 8.270 nan 0.000 0.577 78 G N 1.658 109.582 108.800 -1.459 0.000 2.537 78 G HA2 0.466 4.424 3.960 -0.002 0.000 0.297 78 G HA3 0.466 4.424 3.960 -0.002 0.000 0.297 78 G C -2.461 172.456 174.900 0.028 0.000 1.310 78 G CA -1.001 43.726 45.100 -0.621 0.000 1.027 78 G HN -0.132 nan 8.290 nan 0.000 0.505 79 P HA 0.355 nan 4.420 nan 0.000 0.276 79 P C -0.939 176.410 177.300 0.082 0.000 1.252 79 P CA -0.314 62.799 63.100 0.022 0.000 0.802 79 P CB 1.741 33.310 31.700 -0.218 0.000 1.035 80 V N 2.082 121.941 119.914 -0.092 0.000 2.524 80 V HA 0.270 4.389 4.120 -0.002 0.000 0.297 80 V C -0.658 175.326 176.094 -0.183 0.000 1.035 80 V CA -0.503 61.801 62.300 0.007 0.000 0.867 80 V CB 0.808 32.738 31.823 0.179 0.000 1.004 80 V HN 0.408 nan 8.190 nan 0.000 0.426 81 Y N 2.767 123.135 120.300 0.114 0.000 2.334 81 Y HA 0.843 5.392 4.550 -0.002 0.000 0.328 81 Y C 0.530 176.551 175.900 0.201 0.000 1.130 81 Y CA -0.054 58.110 58.100 0.107 0.000 1.163 81 Y CB 2.004 40.478 38.460 0.023 0.000 1.207 81 Y HN 0.861 nan 8.280 nan 0.000 0.471 82 A N 0.369 123.407 122.820 0.364 0.000 2.549 82 A HA 0.491 4.810 4.320 -0.002 0.000 0.291 82 A C -0.454 177.182 177.584 0.087 0.000 1.034 82 A CA -0.740 51.433 52.037 0.226 0.000 0.655 82 A CB -0.052 18.966 19.000 0.030 0.000 1.299 82 A HN 0.725 nan 8.150 nan 0.000 0.427 83 T N -0.973 113.477 114.554 -0.173 0.000 2.855 83 T HA 0.330 4.679 4.350 -0.002 0.000 0.314 83 T C 1.158 175.750 174.700 -0.181 0.000 1.077 83 T CA 0.665 62.644 62.100 -0.202 0.000 1.095 83 T CB 0.598 69.214 68.868 -0.420 0.000 0.987 83 T HN 1.091 nan 8.240 nan 0.000 0.546 84 R N 1.627 122.075 120.500 -0.086 0.000 2.091 84 R HA -0.073 4.265 4.340 -0.002 0.000 0.238 84 R C 2.413 178.551 176.300 -0.270 0.000 1.136 84 R CA 2.019 58.067 56.100 -0.087 0.000 0.959 84 R CB -1.234 29.105 30.300 0.065 0.000 0.856 84 R HN 0.833 nan 8.270 nan 0.000 0.437 85 A N -0.211 122.210 122.820 -0.665 0.000 1.834 85 A HA -0.184 4.134 4.320 -0.002 0.000 0.216 85 A C 2.289 179.604 177.584 -0.449 0.000 1.203 85 A CA 2.308 53.870 52.037 -0.790 0.000 0.621 85 A CB -1.477 16.641 19.000 -1.469 0.000 0.841 85 A HN 0.505 nan 8.150 nan 0.000 0.446 86 T N -0.076 114.219 114.554 -0.432 0.000 2.649 86 T HA -0.217 4.132 4.350 -0.002 0.000 0.268 86 T C 1.812 176.402 174.700 -0.183 0.000 1.036 86 T CA 1.904 63.842 62.100 -0.271 0.000 1.157 86 T CB -0.731 67.984 68.868 -0.256 0.000 0.861 86 T HN 0.160 nan 8.240 nan 0.000 0.445 87 V N 0.991 120.805 119.914 -0.168 0.000 2.453 87 V HA -0.146 3.973 4.120 -0.002 0.000 0.252 87 V C 2.362 178.397 176.094 -0.098 0.000 1.068 87 V CA 1.548 63.782 62.300 -0.110 0.000 1.070 87 V CB -0.576 31.195 31.823 -0.088 0.000 0.664 87 V HN 0.462 nan 8.190 nan 0.000 0.461 88 L N -1.450 119.701 121.223 -0.119 0.000 2.202 88 L HA -0.001 4.337 4.340 -0.002 0.000 0.205 88 L C 2.267 179.097 176.870 -0.067 0.000 1.083 88 L CA 0.863 55.652 54.840 -0.085 0.000 0.790 88 L CB -0.291 41.714 42.059 -0.090 0.000 0.942 88 L HN 0.266 nan 8.230 nan 0.000 0.452 89 L N -0.798 120.370 121.223 -0.092 0.000 2.093 89 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 89 L C 2.620 179.471 176.870 -0.030 0.000 1.085 89 L CA 1.193 56.001 54.840 -0.054 0.000 0.755 89 L CB -0.302 41.706 42.059 -0.085 0.000 0.904 89 L HN 0.322 nan 8.230 nan 0.000 0.435 90 M N -0.708 118.863 119.600 -0.049 0.000 2.279 90 M HA -0.240 4.239 4.480 -0.002 0.000 0.264 90 M C 2.097 178.383 176.300 -0.024 0.000 1.062 90 M CA 1.501 56.782 55.300 -0.033 0.000 1.099 90 M CB -0.276 32.294 32.600 -0.052 0.000 1.394 90 M HN 0.273 nan 8.290 nan 0.000 0.426 91 E N 0.905 121.089 120.200 -0.028 0.000 2.072 91 E HA -0.153 4.196 4.350 -0.002 0.000 0.191 91 E C 1.791 178.393 176.600 0.002 0.000 0.985 91 E CA 0.994 57.382 56.400 -0.020 0.000 0.801 91 E CB 0.109 29.796 29.700 -0.022 0.000 0.750 91 E HN 0.471 nan 8.360 nan 0.000 0.452 92 I N 0.118 120.695 120.570 0.011 0.000 2.110 92 I HA -0.260 3.908 4.170 -0.002 0.000 0.236 92 I C 2.361 178.503 176.117 0.042 0.000 1.068 92 I CA 0.737 62.054 61.300 0.028 0.000 1.333 92 I CB -0.430 37.590 38.000 0.034 0.000 1.054 92 I HN 0.038 nan 8.210 nan 0.000 0.402 93 V N 0.963 120.906 119.914 0.049 0.000 2.313 93 V HA -0.317 3.802 4.120 -0.002 0.000 0.253 93 V C 2.359 178.497 176.094 0.074 0.000 1.070 93 V CA 1.913 64.255 62.300 0.071 0.000 1.057 93 V CB -0.558 31.312 31.823 0.079 0.000 0.653 93 V HN 0.283 nan 8.190 nan 0.000 0.450 94 L N -0.536 120.717 121.223 0.050 0.000 2.013 94 L HA -0.053 4.286 4.340 -0.002 0.000 0.204 94 L C 2.419 179.338 176.870 0.082 0.000 1.081 94 L CA 1.757 56.633 54.840 0.059 0.000 0.751 94 L CB -0.897 41.161 42.059 -0.002 0.000 0.901 94 L HN 0.271 nan 8.230 nan 0.000 0.440 95 E N -0.495 119.736 120.200 0.052 0.000 2.339 95 E HA -0.281 4.068 4.350 -0.002 0.000 0.201 95 E C 1.472 178.104 176.600 0.054 0.000 1.015 95 E CA 1.198 57.629 56.400 0.052 0.000 0.841 95 E CB -0.172 29.546 29.700 0.030 0.000 0.754 95 E HN 0.539 nan 8.360 nan 0.000 0.508 96 D N 0.554 120.990 120.400 0.060 0.000 2.154 96 D HA -0.050 4.589 4.640 -0.002 0.000 0.211 96 D C 1.964 178.302 176.300 0.065 0.000 0.977 96 D CA 1.151 55.186 54.000 0.059 0.000 0.869 96 D CB -0.040 40.800 40.800 0.066 0.000 1.022 96 D HN 0.066 nan 8.370 nan 0.000 0.461 97 A N 1.293 124.167 122.820 0.090 0.000 2.139 97 A HA -0.123 4.196 4.320 -0.002 0.000 0.221 97 A C 2.438 180.054 177.584 0.054 0.000 1.159 97 A CA 0.814 52.910 52.037 0.099 0.000 0.662 97 A CB -0.781 18.311 19.000 0.154 0.000 0.796 97 A HN 0.465 nan 8.150 nan 0.000 0.463 98 L N -1.732 119.528 121.223 0.062 0.000 2.068 98 L HA -0.085 4.254 4.340 -0.002 0.000 0.204 98 L C 2.475 179.307 176.870 -0.063 0.000 1.076 98 L CA 1.901 56.731 54.840 -0.018 0.000 0.753 98 L CB -0.242 41.864 42.059 0.078 0.000 0.910 98 L HN 0.297 nan 8.230 nan 0.000 0.439 99 K N -0.434 119.960 120.400 -0.010 0.000 2.001 99 K HA -0.055 4.264 4.320 -0.002 0.000 0.208 99 K C 0.973 177.567 176.600 -0.010 0.000 1.048 99 K CA 0.928 57.209 56.287 -0.010 0.000 0.932 99 K CB -0.005 32.502 32.500 0.011 0.000 0.715 99 K HN 0.158 nan 8.250 nan 0.000 0.437 100 V N 2.034 121.953 119.914 0.009 0.000 2.443 100 V HA 0.204 4.322 4.120 -0.002 0.000 0.326 100 V C -0.177 175.927 176.094 0.018 0.000 1.580 100 V CA 0.037 62.349 62.300 0.020 0.000 1.629 100 V CB -0.731 31.118 31.823 0.043 0.000 1.471 100 V HN 0.249 nan 8.190 nan 0.000 0.532 101 M N 1.983 121.573 119.600 -0.017 0.000 2.085 101 M HA 0.340 4.819 4.480 -0.002 0.000 0.309 101 M C 0.942 177.239 176.300 -0.005 0.000 0.947 101 M CA -0.589 54.698 55.300 -0.022 0.000 0.918 101 M CB 1.303 33.823 32.600 -0.132 0.000 1.504 101 M HN 0.466 nan 8.290 nan 0.000 0.420 102 D N 3.262 123.683 120.400 0.036 0.000 2.120 102 D HA -0.224 4.415 4.640 -0.002 0.000 0.191 102 D C 0.006 176.331 176.300 0.041 0.000 0.994 102 D CA 1.511 55.534 54.000 0.038 0.000 0.838 102 D CB -0.035 40.796 40.800 0.051 0.000 0.976 102 D HN 0.688 nan 8.370 nan 0.000 0.447 103 E N 1.865 122.123 120.200 0.097 0.000 2.256 103 E HA 0.233 4.581 4.350 -0.002 0.000 0.243 103 E C -2.507 174.265 176.600 0.286 0.000 0.925 103 E CA -2.404 54.080 56.400 0.141 0.000 0.748 103 E CB 1.622 31.368 29.700 0.076 0.000 1.206 103 E HN 0.013 nan 8.360 nan 0.000 0.428 104 P HA -0.022 nan 4.420 nan 0.000 0.269 104 P C -0.321 176.971 177.300 -0.012 0.000 1.209 104 P CA 0.108 63.099 63.100 -0.182 0.000 0.776 104 P CB 0.330 31.868 31.700 -0.270 0.000 0.876 105 F N 0.139 119.885 119.950 -0.340 0.000 2.798 105 F HA 0.458 4.984 4.527 -0.002 0.000 0.328 105 F C -0.174 175.612 175.800 -0.024 0.000 1.098 105 F CA -0.972 56.876 58.000 -0.254 0.000 1.172 105 F CB -0.031 38.638 39.000 -0.553 0.000 1.072 105 F HN 0.078 nan 8.300 nan 0.000 0.555 106 F N -0.235 119.552 119.950 -0.273 0.000 2.628 106 F HA 0.897 5.423 4.527 -0.002 0.000 0.309 106 F C -0.132 175.589 175.800 -0.133 0.000 1.108 106 F CA -2.059 55.852 58.000 -0.149 0.000 0.971 106 F CB 0.785 39.687 39.000 -0.164 0.000 1.279 106 F HN 0.081 nan 8.300 nan 0.000 0.441 107 G N 1.517 110.401 108.800 0.139 0.000 2.504 107 G HA2 0.519 4.478 3.960 -0.002 0.000 0.288 107 G HA3 0.519 4.478 3.960 -0.002 0.000 0.288 107 G C -1.909 173.083 174.900 0.154 0.000 1.182 107 G CA -1.922 43.221 45.100 0.072 0.000 0.894 107 G HN 0.534 nan 8.290 nan 0.000 0.521 108 P HA -0.162 nan 4.420 nan 0.000 0.218 108 P C 0.899 178.238 177.300 0.065 0.000 1.146 108 P CA 1.389 64.540 63.100 0.085 0.000 0.813 108 P CB 0.271 31.995 31.700 0.041 0.000 0.778 109 E N 0.397 120.633 120.200 0.061 0.000 2.153 109 E HA -0.157 4.191 4.350 -0.002 0.000 0.194 109 E C 1.513 178.139 176.600 0.042 0.000 0.988 109 E CA 1.137 57.563 56.400 0.044 0.000 0.811 109 E CB -1.060 28.669 29.700 0.048 0.000 0.746 109 E HN 0.289 nan 8.360 nan 0.000 0.466 110 D N 0.257 120.704 120.400 0.078 0.000 2.347 110 D HA -0.021 4.618 4.640 -0.002 0.000 0.215 110 D C 1.657 177.914 176.300 -0.071 0.000 0.976 110 D CA 0.423 54.458 54.000 0.058 0.000 0.884 110 D CB 0.325 41.208 40.800 0.138 0.000 0.915 110 D HN 0.132 nan 8.370 nan 0.000 0.526 111 V N 1.629 121.515 119.914 -0.046 0.000 2.341 111 V HA -0.161 3.958 4.120 -0.002 0.000 0.240 111 V C 2.578 178.584 176.094 -0.146 0.000 1.035 111 V CA 1.468 63.698 62.300 -0.117 0.000 1.033 111 V CB -0.565 31.255 31.823 -0.006 0.000 0.678 111 V HN 0.230 nan 8.190 nan 0.000 0.464 112 E N 1.178 121.328 120.200 -0.083 0.000 2.118 112 E HA -0.341 4.008 4.350 -0.002 0.000 0.195 112 E C 1.991 178.515 176.600 -0.126 0.000 0.992 112 E CA 1.948 58.299 56.400 -0.082 0.000 0.804 112 E CB -0.338 29.340 29.700 -0.037 0.000 0.741 112 E HN 0.625 nan 8.360 nan 0.000 0.458 113 E N 1.599 121.712 120.200 -0.145 0.000 2.012 113 E HA -0.222 4.127 4.350 -0.002 0.000 0.197 113 E C 2.075 178.360 176.600 -0.525 0.000 1.007 113 E CA 2.097 58.387 56.400 -0.183 0.000 0.816 113 E CB -0.606 29.027 29.700 -0.112 0.000 0.762 113 E HN 0.375 nan 8.360 nan 0.000 0.451 114 A N 0.739 122.976 122.820 -0.971 0.000 1.884 114 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 114 A C 2.442 179.658 177.584 -0.614 0.000 1.197 114 A CA 2.104 53.256 52.037 -1.476 0.000 0.637 114 A CB -1.166 17.315 19.000 -0.866 0.000 0.827 114 A HN 0.382 nan 8.150 nan 0.000 0.450 115 L N -0.767 120.255 121.223 -0.336 0.000 2.042 115 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 115 L C 2.746 179.542 176.870 -0.124 0.000 1.076 115 L CA 1.167 55.901 54.840 -0.177 0.000 0.749 115 L CB -0.927 41.057 42.059 -0.125 0.000 0.893 115 L HN 0.521 nan 8.230 nan 0.000 0.432 116 G N -1.721 107.017 108.800 -0.104 0.000 2.535 116 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.218 116 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.218 116 G C 0.891 175.740 174.900 -0.084 0.000 1.122 116 G CA 0.455 45.520 45.100 -0.059 0.000 0.769 116 G HN 0.448 nan 8.290 nan 0.000 0.549 117 H N -0.891 118.091 119.070 -0.145 0.000 2.542 117 H HA 0.374 4.929 4.556 -0.002 0.000 0.283 117 H C 0.591 175.880 175.328 -0.065 0.000 1.059 117 H CA -0.528 55.495 56.048 -0.040 0.000 1.162 117 H CB 0.241 30.108 29.762 0.175 0.000 1.539 117 H HN 0.133 nan 8.280 nan 0.000 0.543 118 L N 1.672 122.880 121.223 -0.025 0.000 2.360 118 L HA 0.291 4.629 4.340 -0.002 0.000 0.276 118 L C 0.190 177.000 176.870 -0.100 0.000 1.121 118 L CA 0.162 54.967 54.840 -0.057 0.000 0.845 118 L CB 0.644 42.668 42.059 -0.058 0.000 1.143 118 L HN 0.134 nan 8.230 nan 0.000 0.452 119 R N 4.813 125.223 120.500 -0.149 0.000 2.561 119 R HA 0.432 4.770 4.340 -0.002 0.000 0.297 119 R C -2.515 173.785 176.300 -0.001 0.000 0.969 119 R CA -1.795 54.228 56.100 -0.129 0.000 0.879 119 R CB 2.399 32.529 30.300 -0.283 0.000 1.178 119 R HN 0.348 nan 8.270 nan 0.000 0.445 120 P HA 0.150 nan 4.420 nan 0.000 0.275 120 P C -0.873 176.524 177.300 0.163 0.000 1.228 120 P CA -0.193 62.958 63.100 0.086 0.000 0.786 120 P CB 1.317 33.045 31.700 0.045 0.000 0.927 121 L N 1.694 123.021 121.223 0.173 0.000 2.580 121 L HA 0.302 4.641 4.340 -0.002 0.000 0.266 121 L C -0.459 176.494 176.870 0.137 0.000 0.955 121 L CA -0.553 54.363 54.840 0.127 0.000 0.886 121 L CB 1.986 44.090 42.059 0.074 0.000 1.263 121 L HN 0.280 nan 8.230 nan 0.000 0.406 122 E N 2.477 122.694 120.200 0.029 0.000 2.330 122 E HA 0.295 4.644 4.350 -0.002 0.000 0.256 122 E C -1.072 175.497 176.600 -0.051 0.000 1.146 122 E CA -0.410 55.965 56.400 -0.042 0.000 0.945 122 E CB 0.634 30.318 29.700 -0.026 0.000 1.182 122 E HN 0.342 nan 8.360 nan 0.000 0.480 123 Y N -0.108 120.213 120.300 0.035 0.000 2.597 123 Y HA 0.237 4.786 4.550 -0.002 0.000 0.336 123 Y C 1.785 177.620 175.900 -0.108 0.000 1.216 123 Y CA 1.474 59.549 58.100 -0.041 0.000 1.463 123 Y CB 0.232 38.639 38.460 -0.088 0.000 1.303 123 Y HN 0.743 nan 8.280 nan 0.000 0.576 124 G N 1.388 110.161 108.800 -0.046 0.000 2.284 124 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.261 124 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.261 124 G C 0.188 174.938 174.900 -0.249 0.000 0.997 124 G CA 0.198 45.212 45.100 -0.143 0.000 0.621 124 G HN 0.593 nan 8.290 nan 0.000 0.534 125 E N -0.548 119.520 120.200 -0.220 0.000 2.366 125 E HA 0.408 4.756 4.350 -0.002 0.000 0.266 125 E C -0.535 175.840 176.600 -0.375 0.000 1.051 125 E CA -0.539 55.757 56.400 -0.174 0.000 0.884 125 E CB 0.430 30.068 29.700 -0.102 0.000 1.006 125 E HN 0.371 nan 8.360 nan 0.000 0.417 126 W N 3.531 124.767 121.300 -0.106 0.000 2.429 126 W HA 0.335 4.994 4.660 -0.002 0.000 0.314 126 W C -0.645 175.769 176.519 -0.175 0.000 1.062 126 W CA -0.645 56.618 57.345 -0.137 0.000 1.211 126 W CB 0.736 30.140 29.460 -0.093 0.000 1.305 126 W HN 0.316 nan 8.180 nan 0.000 0.476 127 L N 4.464 125.651 121.223 -0.059 0.000 2.343 127 L HA 0.651 4.989 4.340 -0.002 0.000 0.275 127 L C -0.413 176.415 176.870 -0.071 0.000 1.056 127 L CA -0.868 53.860 54.840 -0.186 0.000 0.804 127 L CB 0.889 42.664 42.059 -0.472 0.000 1.203 127 L HN 0.374 nan 8.230 nan 0.000 0.440 128 R N 5.609 126.059 120.500 -0.082 0.000 2.500 128 R HA 0.562 4.901 4.340 -0.002 0.000 0.299 128 R C -1.760 174.516 176.300 -0.040 0.000 1.038 128 R CA -0.635 55.443 56.100 -0.037 0.000 0.903 128 R CB 1.380 31.671 30.300 -0.015 0.000 1.177 128 R HN 0.578 nan 8.270 nan 0.000 0.455 129 L N 1.481 122.685 121.223 -0.032 0.000 2.365 129 L HA 0.546 4.885 4.340 -0.002 0.000 0.273 129 L C 1.277 178.142 176.870 -0.008 0.000 1.000 129 L CA -0.324 54.508 54.840 -0.013 0.000 0.819 129 L CB 1.920 43.975 42.059 -0.007 0.000 1.284 129 L HN 0.848 nan 8.230 nan 0.000 0.418 130 G N 2.496 111.294 108.800 -0.004 0.000 2.698 130 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.337 130 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.337 130 G C 0.565 175.458 174.900 -0.010 0.000 1.286 130 G CA 0.634 45.731 45.100 -0.006 0.000 1.000 130 G HN 1.069 nan 8.290 nan 0.000 0.547 131 A N -0.991 121.823 122.820 -0.011 0.000 2.708 131 A HA 0.686 5.005 4.320 -0.002 0.000 0.293 131 A C 0.160 177.737 177.584 -0.011 0.000 1.303 131 A CA 0.532 52.561 52.037 -0.014 0.000 0.949 131 A CB 0.073 19.064 19.000 -0.015 0.000 1.121 131 A HN 1.341 nan 8.150 nan 0.000 0.542 132 L N -0.245 120.974 121.223 -0.006 0.000 2.334 132 L HA 0.739 5.077 4.340 -0.002 0.000 0.273 132 L C -0.515 176.368 176.870 0.022 0.000 1.013 132 L CA -0.058 54.786 54.840 0.007 0.000 0.816 132 L CB 2.181 44.242 42.059 0.002 0.000 1.278 132 L HN -0.006 nan 8.230 nan 0.000 0.431 133 S N 4.911 120.651 115.700 0.067 0.000 2.659 133 S HA 0.705 5.174 4.470 -0.002 0.000 0.312 133 S C -0.837 173.921 174.600 0.263 0.000 1.114 133 S CA -0.451 57.850 58.200 0.168 0.000 1.063 133 S CB 0.867 64.146 63.200 0.131 0.000 0.996 133 S HN 0.489 nan 8.310 nan 0.000 0.478 134 L N 2.582 123.887 121.223 0.137 0.000 2.334 134 L HA 0.953 5.292 4.340 -0.002 0.000 0.273 134 L C -0.073 176.577 176.870 -0.367 0.000 1.013 134 L CA -0.618 54.176 54.840 -0.076 0.000 0.816 134 L CB 1.750 43.693 42.059 -0.193 0.000 1.278 134 L HN 0.712 nan 8.230 nan 0.000 0.431 135 A N 1.800 124.271 122.820 -0.582 0.000 2.520 135 A HA 0.769 5.087 4.320 -0.002 0.000 0.298 135 A C -1.486 175.785 177.584 -0.523 0.000 1.051 135 A CA -0.428 51.071 52.037 -0.898 0.000 0.690 135 A CB 1.102 19.038 19.000 -1.774 0.000 1.281 135 A HN 0.365 nan 8.150 nan 0.000 0.402 136 F N 1.210 120.910 119.950 -0.416 0.000 2.404 136 F HA 0.592 5.118 4.527 -0.002 0.000 0.345 136 F C 1.086 176.651 175.800 -0.392 0.000 1.110 136 F CA -0.469 57.326 58.000 -0.342 0.000 1.130 136 F CB 1.839 40.651 39.000 -0.313 0.000 1.129 136 F HN 0.685 nan 8.300 nan 0.000 0.500 137 G N 1.814 110.251 108.800 -0.606 0.000 2.420 137 G HA2 0.428 4.386 3.960 -0.002 0.000 0.331 137 G HA3 0.428 4.386 3.960 -0.002 0.000 0.331 137 G C -1.171 173.258 174.900 -0.784 0.000 1.168 137 G CA -0.725 43.652 45.100 -1.204 0.000 0.936 137 G HN 0.477 nan 8.290 nan 0.000 0.479 138 Q N 0.598 120.149 119.800 -0.416 0.000 2.244 138 Q HA 0.418 4.757 4.340 -0.002 0.000 0.278 138 Q C 0.850 176.897 176.000 0.079 0.000 1.093 138 Q CA 0.789 56.362 55.803 -0.383 0.000 0.916 138 Q CB 1.099 29.557 28.738 -0.466 0.000 1.159 138 Q HN 0.558 nan 8.270 nan 0.000 0.384 139 A N 3.864 126.733 122.820 0.081 0.000 2.115 139 A HA 0.365 4.684 4.320 -0.002 0.000 0.211 139 A C 1.319 178.906 177.584 0.005 0.000 1.169 139 A CA 0.422 52.533 52.037 0.123 0.000 0.787 139 A CB -0.546 18.489 19.000 0.058 0.000 0.858 139 A HN 1.383 nan 8.150 nan 0.000 0.474 140 G N -0.484 108.294 108.800 -0.036 0.000 2.395 140 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.300 140 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.300 140 G C 0.357 175.227 174.900 -0.049 0.000 0.998 140 G CA 1.266 46.331 45.100 -0.059 0.000 1.046 140 G HN 1.003 nan 8.290 nan 0.000 0.513 141 H N -1.123 117.826 119.070 -0.202 0.000 3.255 141 H HA 0.674 5.229 4.556 -0.002 0.000 0.256 141 H C 0.637 175.779 175.328 -0.311 0.000 1.049 141 H CA 0.477 56.360 56.048 -0.275 0.000 1.202 141 H CB 0.525 30.065 29.762 -0.370 0.000 1.497 141 H HN 0.419 nan 8.280 nan 0.000 0.503 142 L N 0.406 121.409 121.223 -0.367 0.000 2.789 142 L HA 0.302 4.640 4.340 -0.002 0.000 0.258 142 L C -2.688 174.014 176.870 -0.281 0.000 0.966 142 L CA -2.121 52.481 54.840 -0.396 0.000 0.916 142 L CB 2.592 44.314 42.059 -0.563 0.000 1.475 142 L HN -0.038 nan 8.230 nan 0.000 0.418 143 P HA 0.107 nan 4.420 nan 0.000 0.254 143 P C 0.508 177.541 177.300 -0.446 0.000 1.186 143 P CA 1.175 64.012 63.100 -0.439 0.000 0.868 143 P CB 0.170 31.478 31.700 -0.653 0.000 0.856 144 G N 2.170 110.817 108.800 -0.254 0.000 2.134 144 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.209 144 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.209 144 G C 0.194 174.971 174.900 -0.206 0.000 0.993 144 G CA 0.001 44.932 45.100 -0.283 0.000 0.669 144 G HN 0.654 nan 8.290 nan 0.000 0.519 145 S N -0.368 115.273 115.700 -0.099 0.000 2.528 145 S HA 0.837 5.306 4.470 -0.002 0.000 0.277 145 S C 0.246 174.834 174.600 -0.020 0.000 1.297 145 S CA 0.589 58.731 58.200 -0.097 0.000 1.052 145 S CB 2.216 65.339 63.200 -0.129 0.000 0.917 145 S HN 1.987 nan 8.310 nan 0.000 0.492 146 A N 2.652 125.387 122.820 -0.142 0.000 2.539 146 A HA 0.762 5.080 4.320 -0.002 0.000 0.296 146 A C -0.645 176.895 177.584 -0.072 0.000 1.073 146 A CA -1.163 50.793 52.037 -0.135 0.000 0.700 146 A CB 0.955 19.633 19.000 -0.537 0.000 1.296 146 A HN 1.167 nan 8.150 nan 0.000 0.405 147 F N 0.554 120.527 119.950 0.038 0.000 2.425 147 F HA 0.775 5.301 4.527 -0.002 0.000 0.331 147 F C -0.420 175.502 175.800 0.204 0.000 1.085 147 F CA -1.183 56.838 58.000 0.035 0.000 1.028 147 F CB 1.097 40.188 39.000 0.152 0.000 1.177 147 F HN 0.254 nan 8.300 nan 0.000 0.487 148 V N 3.885 124.054 119.914 0.424 0.000 2.509 148 V HA 0.403 4.522 4.120 -0.002 0.000 0.284 148 V C -0.193 176.124 176.094 0.373 0.000 1.047 148 V CA -0.755 61.774 62.300 0.383 0.000 0.952 148 V CB 1.369 33.439 31.823 0.412 0.000 0.988 148 V HN 0.748 nan 8.190 nan 0.000 0.469 149 V N 4.181 124.210 119.914 0.191 0.000 2.417 149 V HA 0.807 4.926 4.120 -0.002 0.000 0.291 149 V C 0.223 176.386 176.094 0.115 0.000 1.024 149 V CA -0.381 62.029 62.300 0.184 0.000 0.861 149 V CB 1.598 33.503 31.823 0.138 0.000 0.985 149 V HN 1.007 nan 8.190 nan 0.000 0.436 150 A N 4.548 127.460 122.820 0.152 0.000 2.355 150 A HA 0.881 5.200 4.320 -0.002 0.000 0.317 150 A C -0.863 176.806 177.584 0.141 0.000 1.094 150 A CA -0.588 51.527 52.037 0.130 0.000 0.764 150 A CB 1.945 21.004 19.000 0.097 0.000 1.230 150 A HN 0.599 nan 8.150 nan 0.000 0.448 151 Q N 0.951 120.838 119.800 0.145 0.000 2.289 151 Q HA 0.656 4.995 4.340 -0.002 0.000 0.270 151 Q C -0.836 175.197 176.000 0.055 0.000 1.038 151 Q CA -0.071 55.794 55.803 0.103 0.000 0.812 151 Q CB 2.167 30.978 28.738 0.122 0.000 1.300 151 Q HN 1.657 nan 8.270 nan 0.000 0.427 152 G N 1.714 110.531 108.800 0.028 0.000 2.473 152 G HA2 0.340 4.298 3.960 -0.002 0.000 0.298 152 G HA3 0.340 4.298 3.960 -0.002 0.000 0.298 152 G C -1.132 173.769 174.900 0.002 0.000 1.575 152 G CA -0.327 44.778 45.100 0.009 0.000 0.846 152 G HN 0.657 nan 8.290 nan 0.000 0.585 153 E N -0.676 119.520 120.200 -0.007 0.000 2.440 153 E HA -0.241 4.107 4.350 -0.002 0.000 0.246 153 E C 1.448 178.044 176.600 -0.007 0.000 1.165 153 E CA 1.319 57.714 56.400 -0.008 0.000 0.726 153 E CB -1.399 28.298 29.700 -0.005 0.000 1.271 153 E HN 2.534 nan 8.360 nan 0.000 0.397 154 G N -0.209 108.585 108.800 -0.010 0.000 2.189 154 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.267 154 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.267 154 G C 0.224 175.123 174.900 -0.002 0.000 0.975 154 G CA 0.792 45.886 45.100 -0.009 0.000 0.644 154 G HN 0.252 nan 8.290 nan 0.000 0.537 155 R N -0.352 120.150 120.500 0.004 0.000 2.832 155 R HA 0.731 5.069 4.340 -0.002 0.000 0.271 155 R C -0.935 175.380 176.300 0.025 0.000 0.996 155 R CA -0.402 55.705 56.100 0.011 0.000 0.977 155 R CB 1.642 31.947 30.300 0.009 0.000 1.168 155 R HN 0.126 nan 8.270 nan 0.000 0.482 156 T N 2.058 116.631 114.554 0.031 0.000 2.879 156 T HA 0.398 4.746 4.350 -0.002 0.000 0.290 156 T C -1.106 173.628 174.700 0.056 0.000 0.993 156 T CA -0.605 61.526 62.100 0.053 0.000 0.975 156 T CB 1.408 70.310 68.868 0.056 0.000 0.981 156 T HN 0.330 nan 8.240 nan 0.000 0.439 157 L N 4.356 125.626 121.223 0.079 0.000 2.341 157 L HA 0.862 5.200 4.340 -0.002 0.000 0.278 157 L C -1.309 175.646 176.870 0.142 0.000 1.005 157 L CA -0.559 54.335 54.840 0.090 0.000 0.818 157 L CB 1.602 43.707 42.059 0.078 0.000 1.259 157 L HN 0.451 nan 8.230 nan 0.000 0.418 158 V N 5.391 125.397 119.914 0.153 0.000 2.495 158 V HA 0.376 4.495 4.120 -0.002 0.000 0.298 158 V C -1.190 175.099 176.094 0.326 0.000 1.031 158 V CA -0.476 61.961 62.300 0.230 0.000 0.871 158 V CB 1.528 33.420 31.823 0.115 0.000 0.988 158 V HN 0.741 nan 8.190 nan 0.000 0.432 159 Y N 3.989 124.448 120.300 0.264 0.000 2.447 159 Y HA 0.311 4.859 4.550 -0.002 0.000 0.325 159 Y C 1.471 177.553 175.900 0.303 0.000 0.976 159 Y CA -0.163 58.073 58.100 0.226 0.000 1.280 159 Y CB 1.883 40.454 38.460 0.185 0.000 1.104 159 Y HN 0.800 nan 8.280 nan 0.000 0.486 160 S N 4.200 119.935 115.700 0.058 0.000 2.359 160 S HA 0.054 4.523 4.470 -0.002 0.000 0.223 160 S C 1.365 175.668 174.600 -0.495 0.000 1.039 160 S CA 1.282 59.321 58.200 -0.269 0.000 1.042 160 S CB -1.022 61.949 63.200 -0.382 0.000 0.915 160 S HN 1.617 nan 8.310 nan 0.000 0.439 161 G N 1.595 109.966 108.800 -0.715 0.000 2.539 161 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.256 161 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.256 161 G C -0.963 173.796 174.900 -0.236 0.000 1.233 161 G CA 0.180 44.964 45.100 -0.527 0.000 0.936 161 G HN 0.560 nan 8.290 nan 0.000 0.571 162 D N 1.046 121.297 120.400 -0.249 0.000 2.359 162 D HA 0.559 5.197 4.640 -0.002 0.000 0.230 162 D C 0.479 176.463 176.300 -0.526 0.000 1.118 162 D CA -0.231 53.531 54.000 -0.397 0.000 0.844 162 D CB 1.031 41.448 40.800 -0.638 0.000 1.059 162 D HN 0.375 nan 8.370 nan 0.000 0.493 163 L N 1.486 122.461 121.223 -0.414 0.000 2.453 163 L HA 0.483 4.822 4.340 -0.002 0.000 0.261 163 L C 1.521 178.276 176.870 -0.192 0.000 1.179 163 L CA -0.138 54.490 54.840 -0.353 0.000 0.813 163 L CB 0.835 42.603 42.059 -0.484 0.000 1.110 163 L HN 0.289 nan 8.230 nan 0.000 0.466 164 G N -0.407 108.352 108.800 -0.068 0.000 2.753 164 G HA2 0.247 4.206 3.960 -0.002 0.000 0.285 164 G HA3 0.247 4.206 3.960 -0.002 0.000 0.285 164 G C -0.755 174.145 174.900 -0.000 0.000 1.344 164 G CA -0.686 44.437 45.100 0.039 0.000 1.050 164 G HN 0.665 nan 8.290 nan 0.000 0.532 165 N N -0.363 118.332 118.700 -0.008 0.000 2.469 165 N HA 0.101 4.840 4.740 -0.002 0.000 0.239 165 N C 1.574 177.055 175.510 -0.048 0.000 1.053 165 N CA -0.486 52.560 53.050 -0.006 0.000 0.937 165 N CB 0.347 38.816 38.487 -0.031 0.000 1.163 165 N HN 0.523 nan 8.380 nan 0.000 0.509 166 R N 2.326 122.811 120.500 -0.025 0.000 2.425 166 R HA -0.089 4.250 4.340 -0.002 0.000 0.206 166 R C 0.374 176.639 176.300 -0.058 0.000 1.117 166 R CA 1.029 57.109 56.100 -0.034 0.000 1.098 166 R CB -0.092 30.208 30.300 0.001 0.000 0.843 166 R HN 0.639 nan 8.270 nan 0.000 0.480 167 E N 0.951 121.094 120.200 -0.094 0.000 2.206 167 E HA 0.051 4.400 4.350 -0.002 0.000 0.195 167 E C 0.155 176.509 176.600 -0.409 0.000 0.935 167 E CA -0.071 56.249 56.400 -0.134 0.000 0.875 167 E CB 0.307 29.996 29.700 -0.018 0.000 0.841 167 E HN 0.288 nan 8.360 nan 0.000 0.477 168 K N 0.899 120.919 120.400 -0.632 0.000 2.191 168 K HA -0.087 4.232 4.320 -0.002 0.000 0.244 168 K C 0.167 176.411 176.600 -0.593 0.000 1.083 168 K CA 0.989 56.613 56.287 -1.104 0.000 0.800 168 K CB 0.197 32.344 32.500 -0.589 0.000 1.088 168 K HN -0.068 nan 8.250 nan 0.000 0.525 169 D N -1.514 118.651 120.400 -0.392 0.000 2.448 169 D HA 0.023 4.662 4.640 -0.002 0.000 0.256 169 D C 1.405 177.609 176.300 -0.161 0.000 1.108 169 D CA 0.036 53.941 54.000 -0.158 0.000 0.848 169 D CB 0.496 41.317 40.800 0.034 0.000 1.281 169 D HN 0.124 nan 8.370 nan 0.000 0.509 170 V N 1.164 120.962 119.914 -0.193 0.000 2.343 170 V HA -0.103 4.016 4.120 -0.002 0.000 0.247 170 V C 0.838 176.952 176.094 0.033 0.000 1.051 170 V CA 1.056 63.242 62.300 -0.190 0.000 1.036 170 V CB -0.293 31.503 31.823 -0.045 0.000 0.654 170 V HN 0.188 nan 8.190 nan 0.000 0.451 171 L N 0.818 122.046 121.223 0.007 0.000 2.352 171 L HA 0.485 4.824 4.340 -0.002 0.000 0.269 171 L C -2.272 174.575 176.870 -0.039 0.000 1.034 171 L CA -2.051 52.797 54.840 0.013 0.000 0.806 171 L CB 0.440 42.474 42.059 -0.042 0.000 1.244 171 L HN 0.085 nan 8.230 nan 0.000 0.447 172 P HA 0.142 nan 4.420 nan 0.000 0.276 172 P C -0.802 176.457 177.300 -0.068 0.000 1.252 172 P CA -0.609 62.452 63.100 -0.066 0.000 0.802 172 P CB 0.883 32.528 31.700 -0.092 0.000 1.035 173 D N 1.438 121.807 120.400 -0.051 0.000 2.423 173 D HA 0.164 4.802 4.640 -0.002 0.000 0.238 173 D C -2.000 174.296 176.300 -0.007 0.000 1.142 173 D CA -0.693 53.291 54.000 -0.027 0.000 0.884 173 D CB -0.771 40.023 40.800 -0.009 0.000 1.199 173 D HN 0.201 nan 8.370 nan 0.000 0.438 174 P HA 0.091 nan 4.420 nan 0.000 0.276 174 P C -0.564 176.861 177.300 0.208 0.000 1.230 174 P CA -0.251 62.918 63.100 0.115 0.000 0.776 174 P CB 0.830 32.580 31.700 0.084 0.000 0.888 175 S N 3.408 119.292 115.700 0.308 0.000 2.565 175 S HA 0.294 4.763 4.470 -0.002 0.000 0.274 175 S C 0.069 174.880 174.600 0.350 0.000 1.309 175 S CA -0.646 57.731 58.200 0.295 0.000 1.043 175 S CB -0.176 63.186 63.200 0.269 0.000 0.939 175 S HN 0.242 nan 8.310 nan 0.000 0.504 176 L N 5.839 127.119 121.223 0.094 0.000 2.461 176 L HA 0.333 4.672 4.340 -0.002 0.000 0.272 176 L C -1.528 175.149 176.870 -0.322 0.000 1.197 176 L CA -1.480 53.225 54.840 -0.225 0.000 0.836 176 L CB 0.283 42.233 42.059 -0.181 0.000 1.105 176 L HN 0.610 nan 8.230 nan 0.000 0.477 177 P HA 0.354 nan 4.420 nan 0.000 0.280 177 P C -2.680 174.446 177.300 -0.291 0.000 1.272 177 P CA -1.474 61.257 63.100 -0.615 0.000 0.819 177 P CB 0.367 31.336 31.700 -1.218 0.000 1.122 178 P HA 0.220 nan 4.420 nan 0.000 0.279 178 P C -0.414 176.832 177.300 -0.091 0.000 1.276 178 P CA -0.536 62.537 63.100 -0.045 0.000 0.801 178 P CB 0.462 32.196 31.700 0.055 0.000 1.127 179 L N 0.504 121.693 121.223 -0.057 0.000 2.455 179 L HA 0.444 4.783 4.340 -0.002 0.000 0.272 179 L C -0.277 176.574 176.870 -0.032 0.000 1.174 179 L CA 0.214 55.019 54.840 -0.058 0.000 0.869 179 L CB -0.603 41.434 42.059 -0.038 0.000 1.130 179 L HN 0.568 nan 8.230 nan 0.000 0.474 180 A N 3.814 126.611 122.820 -0.039 0.000 2.469 180 A HA 0.510 4.828 4.320 -0.002 0.000 0.299 180 A C 0.347 177.927 177.584 -0.007 0.000 1.098 180 A CA -0.540 51.491 52.037 -0.009 0.000 0.737 180 A CB 0.823 19.823 19.000 -0.000 0.000 1.312 180 A HN 0.758 nan 8.150 nan 0.000 0.414 181 D N -0.525 119.879 120.400 0.006 0.000 2.183 181 D HA 0.056 4.695 4.640 -0.002 0.000 0.203 181 D C -0.022 176.280 176.300 0.004 0.000 0.969 181 D CA 1.565 55.567 54.000 0.003 0.000 0.842 181 D CB 0.179 40.983 40.800 0.006 0.000 0.957 181 D HN 0.296 nan 8.370 nan 0.000 0.484 182 L N 0.219 121.450 121.223 0.013 0.000 2.493 182 L HA 0.330 4.668 4.340 -0.002 0.000 0.265 182 L C -1.642 175.251 176.870 0.038 0.000 0.954 182 L CA -0.699 54.151 54.840 0.017 0.000 0.844 182 L CB 2.468 44.534 42.059 0.011 0.000 1.302 182 L HN -0.349 nan 8.230 nan 0.000 0.405 183 V N 5.672 125.612 119.914 0.044 0.000 2.378 183 V HA 0.413 4.532 4.120 -0.002 0.000 0.288 183 V C -0.417 175.742 176.094 0.108 0.000 1.016 183 V CA -0.490 61.864 62.300 0.090 0.000 0.840 183 V CB 1.462 33.332 31.823 0.078 0.000 0.994 183 V HN 0.659 nan 8.190 nan 0.000 0.431 184 L N 5.945 127.256 121.223 0.146 0.000 2.302 184 L HA 0.733 5.072 4.340 -0.002 0.000 0.285 184 L C 0.465 177.465 176.870 0.217 0.000 1.090 184 L CA 0.331 55.237 54.840 0.111 0.000 0.866 184 L CB 0.272 42.333 42.059 0.003 0.000 1.244 184 L HN 0.739 nan 8.230 nan 0.000 0.435 185 A N 4.131 127.039 122.820 0.146 0.000 2.311 185 A HA 0.711 5.029 4.320 -0.002 0.000 0.334 185 A C -0.368 177.262 177.584 0.078 0.000 1.139 185 A CA -0.678 51.433 52.037 0.123 0.000 0.830 185 A CB 0.736 19.819 19.000 0.137 0.000 1.234 185 A HN 0.750 nan 8.150 nan 0.000 0.483 186 E N -0.020 120.197 120.200 0.028 0.000 2.314 186 E HA 0.584 4.933 4.350 -0.002 0.000 0.262 186 E C 0.405 177.005 176.600 -0.000 0.000 1.093 186 E CA -0.221 56.195 56.400 0.027 0.000 0.908 186 E CB 1.113 30.816 29.700 0.005 0.000 1.091 186 E HN 0.598 nan 8.360 nan 0.000 0.425 187 G N 0.613 109.410 108.800 -0.006 0.000 4.299 187 G HA2 0.008 3.966 3.960 -0.002 0.000 0.290 187 G HA3 0.008 3.966 3.960 -0.002 0.000 0.290 187 G C 0.625 175.496 174.900 -0.048 0.000 1.019 187 G CA -0.016 45.075 45.100 -0.016 0.000 0.790 187 G HN 0.518 nan 8.290 nan 0.000 0.452 188 T N 0.263 114.773 114.554 -0.072 0.000 2.755 188 T HA -0.229 4.120 4.350 -0.002 0.000 0.266 188 T C 0.365 174.962 174.700 -0.172 0.000 1.041 188 T CA 1.487 63.495 62.100 -0.154 0.000 1.147 188 T CB -0.224 68.472 68.868 -0.286 0.000 0.847 188 T HN 0.371 nan 8.240 nan 0.000 0.478 189 Y N -0.517 119.716 120.300 -0.112 0.000 2.497 189 Y HA 0.493 5.041 4.550 -0.002 0.000 0.333 189 Y C 1.013 176.866 175.900 -0.079 0.000 1.046 189 Y CA -0.911 57.138 58.100 -0.086 0.000 1.160 189 Y CB 0.907 39.332 38.460 -0.059 0.000 1.123 189 Y HN 0.048 nan 8.280 nan 0.000 0.638 190 G N -0.573 108.227 108.800 0.000 0.000 2.986 190 G HA2 -0.088 3.870 3.960 -0.002 0.000 0.213 190 G HA3 -0.088 3.870 3.960 -0.002 0.000 0.213 190 G C 1.067 175.966 174.900 -0.002 0.000 1.156 190 G CA 0.550 45.652 45.100 0.004 0.000 0.763 190 G HN 0.506 nan 8.290 nan 0.000 0.547 191 D N 0.489 120.879 120.400 -0.017 0.000 2.120 191 D HA -0.010 4.629 4.640 -0.002 0.000 0.202 191 D C 1.349 177.662 176.300 0.021 0.000 0.972 191 D CA 0.704 54.698 54.000 -0.009 0.000 0.837 191 D CB 0.057 40.836 40.800 -0.036 0.000 0.989 191 D HN 0.344 nan 8.370 nan 0.000 0.469 192 R N -0.039 120.492 120.500 0.051 0.000 2.752 192 R HA 0.440 4.778 4.340 -0.002 0.000 0.271 192 R C -3.436 172.874 176.300 0.016 0.000 1.026 192 R CA -1.594 54.536 56.100 0.050 0.000 0.901 192 R CB 0.239 30.584 30.300 0.075 0.000 1.243 192 R HN -0.094 nan 8.270 nan 0.000 0.463 193 P HA 0.339 nan 4.420 nan 0.000 0.290 193 P C -0.375 176.862 177.300 -0.105 0.000 1.275 193 P CA -0.376 62.636 63.100 -0.147 0.000 0.841 193 P CB 0.966 32.629 31.700 -0.061 0.000 1.042 194 H N 1.370 120.458 119.070 0.029 0.000 2.172 194 H HA 0.195 4.750 4.556 -0.002 0.000 0.346 194 H C 1.009 176.366 175.328 0.049 0.000 1.901 194 H CA 0.150 56.217 56.048 0.031 0.000 1.403 194 H CB 0.056 29.801 29.762 -0.027 0.000 1.654 194 H HN 0.373 nan 8.280 nan 0.000 0.548 195 R N 0.659 121.285 120.500 0.211 0.000 2.486 195 R HA 0.353 4.691 4.340 -0.002 0.000 0.286 195 R C -2.745 173.614 176.300 0.099 0.000 0.999 195 R CA -2.088 54.086 56.100 0.123 0.000 0.993 195 R CB -0.444 29.919 30.300 0.104 0.000 1.084 195 R HN 0.276 nan 8.270 nan 0.000 0.487 196 P HA -0.096 nan 4.420 nan 0.000 0.262 196 P C 0.158 177.482 177.300 0.039 0.000 1.182 196 P CA 0.279 63.419 63.100 0.067 0.000 0.761 196 P CB 0.125 31.855 31.700 0.050 0.000 0.795 197 Y N 4.883 125.142 120.300 -0.067 0.000 2.181 197 Y HA -0.287 4.262 4.550 -0.002 0.000 0.288 197 Y C 2.556 178.381 175.900 -0.124 0.000 1.146 197 Y CA 1.631 59.640 58.100 -0.153 0.000 1.164 197 Y CB -0.219 38.157 38.460 -0.141 0.000 0.982 197 Y HN 0.172 nan 8.280 nan 0.000 0.515 198 R N 1.259 121.777 120.500 0.030 0.000 2.171 198 R HA -0.300 4.039 4.340 -0.002 0.000 0.232 198 R C 2.304 178.529 176.300 -0.124 0.000 1.116 198 R CA 2.731 58.820 56.100 -0.017 0.000 0.901 198 R CB -1.003 29.323 30.300 0.045 0.000 0.850 198 R HN 0.677 nan 8.270 nan 0.000 0.431 199 E N -1.335 118.821 120.200 -0.073 0.000 2.209 199 E HA -0.164 4.185 4.350 -0.002 0.000 0.196 199 E C 1.616 178.155 176.600 -0.102 0.000 0.993 199 E CA 1.681 58.043 56.400 -0.064 0.000 0.819 199 E CB -0.451 29.237 29.700 -0.020 0.000 0.745 199 E HN 0.393 nan 8.360 nan 0.000 0.477 200 T N 1.038 115.484 114.554 -0.181 0.000 2.833 200 T HA -0.089 4.260 4.350 -0.002 0.000 0.269 200 T C 1.973 176.548 174.700 -0.209 0.000 1.054 200 T CA 1.313 63.292 62.100 -0.201 0.000 1.135 200 T CB -0.099 68.553 68.868 -0.360 0.000 0.869 200 T HN 0.072 nan 8.240 nan 0.000 0.466 201 V N 1.319 120.992 119.914 -0.401 0.000 2.548 201 V HA -0.095 4.023 4.120 -0.002 0.000 0.249 201 V C 2.522 178.576 176.094 -0.067 0.000 1.055 201 V CA 1.323 63.457 62.300 -0.276 0.000 1.065 201 V CB -0.537 31.015 31.823 -0.451 0.000 0.681 201 V HN 0.399 nan 8.190 nan 0.000 0.462 202 R N 0.374 120.817 120.500 -0.095 0.000 2.070 202 R HA -0.180 4.159 4.340 -0.002 0.000 0.233 202 R C 2.294 178.587 176.300 -0.012 0.000 1.137 202 R CA 1.694 57.761 56.100 -0.055 0.000 0.945 202 R CB -0.383 29.889 30.300 -0.047 0.000 0.845 202 R HN 0.531 nan 8.270 nan 0.000 0.430 203 E N -0.018 120.187 120.200 0.009 0.000 2.510 203 E HA -0.177 4.172 4.350 -0.002 0.000 0.202 203 E C 1.136 177.762 176.600 0.043 0.000 1.072 203 E CA 0.522 56.927 56.400 0.007 0.000 0.883 203 E CB 0.087 29.801 29.700 0.022 0.000 0.818 203 E HN 0.284 nan 8.360 nan 0.000 0.548 204 F N -0.269 119.654 119.950 -0.046 0.000 2.343 204 F HA 0.141 4.667 4.527 -0.002 0.000 0.286 204 F C 1.569 177.327 175.800 -0.069 0.000 1.057 204 F CA 0.287 58.276 58.000 -0.018 0.000 1.365 204 F CB 0.086 39.154 39.000 0.115 0.000 1.114 204 F HN -0.068 nan 8.300 nan 0.000 0.545 205 L N 0.500 121.743 121.223 0.033 0.000 2.201 205 L HA -0.135 4.203 4.340 -0.002 0.000 0.212 205 L C 2.340 179.117 176.870 -0.155 0.000 1.105 205 L CA 1.570 56.352 54.840 -0.098 0.000 0.775 205 L CB -0.731 41.277 42.059 -0.084 0.000 0.913 205 L HN 0.342 nan 8.230 nan 0.000 0.440 206 E N 1.178 121.302 120.200 -0.127 0.000 2.072 206 E HA -0.191 4.157 4.350 -0.002 0.000 0.190 206 E C 2.331 178.827 176.600 -0.173 0.000 0.982 206 E CA 0.985 57.311 56.400 -0.123 0.000 0.803 206 E CB 0.039 29.682 29.700 -0.094 0.000 0.755 206 E HN 0.465 nan 8.360 nan 0.000 0.453 207 I N 1.084 121.508 120.570 -0.243 0.000 2.226 207 I HA -0.274 3.894 4.170 -0.002 0.000 0.245 207 I C 2.378 178.345 176.117 -0.250 0.000 1.100 207 I CA 0.847 61.977 61.300 -0.284 0.000 1.374 207 I CB -0.164 37.613 38.000 -0.373 0.000 1.057 207 I HN 0.223 nan 8.210 nan 0.000 0.413 208 L N 0.077 121.100 121.223 -0.333 0.000 2.141 208 L HA -0.192 4.146 4.340 -0.002 0.000 0.209 208 L C 2.484 179.251 176.870 -0.172 0.000 1.094 208 L CA 0.996 55.667 54.840 -0.282 0.000 0.763 208 L CB -0.487 41.354 42.059 -0.363 0.000 0.908 208 L HN 0.199 nan 8.230 nan 0.000 0.437 209 E N 0.674 120.783 120.200 -0.152 0.000 2.028 209 E HA -0.235 4.114 4.350 -0.002 0.000 0.191 209 E C 2.002 178.553 176.600 -0.082 0.000 0.988 209 E CA 1.354 57.692 56.400 -0.102 0.000 0.799 209 E CB 0.034 29.681 29.700 -0.087 0.000 0.755 209 E HN 0.163 nan 8.360 nan 0.000 0.447 210 K N -0.269 120.080 120.400 -0.085 0.000 1.978 210 K HA -0.138 4.180 4.320 -0.002 0.000 0.214 210 K C 2.275 178.844 176.600 -0.052 0.000 1.049 210 K CA 2.321 58.572 56.287 -0.061 0.000 0.939 210 K CB -1.271 31.193 32.500 -0.060 0.000 0.721 210 K HN 0.164 nan 8.250 nan 0.000 0.441 211 T N 0.198 114.715 114.554 -0.061 0.000 2.622 211 T HA -0.127 4.222 4.350 -0.002 0.000 0.266 211 T C 1.842 176.514 174.700 -0.046 0.000 1.047 211 T CA 1.996 64.068 62.100 -0.047 0.000 1.159 211 T CB -0.366 68.470 68.868 -0.054 0.000 0.863 211 T HN 0.284 nan 8.240 nan 0.000 0.422 212 L N 0.762 121.948 121.223 -0.062 0.000 2.131 212 L HA -0.071 4.268 4.340 -0.002 0.000 0.210 212 L C 3.013 179.861 176.870 -0.037 0.000 1.092 212 L CA 1.227 56.037 54.840 -0.049 0.000 0.759 212 L CB -0.499 41.521 42.059 -0.064 0.000 0.903 212 L HN 0.317 nan 8.230 nan 0.000 0.435 213 S N -0.077 115.599 115.700 -0.040 0.000 2.357 213 S HA -0.199 4.270 4.470 -0.002 0.000 0.221 213 S C 1.663 176.250 174.600 -0.022 0.000 1.031 213 S CA 1.195 59.377 58.200 -0.031 0.000 0.982 213 S CB -0.255 62.925 63.200 -0.033 0.000 0.853 213 S HN 0.581 nan 8.310 nan 0.000 0.458 214 Q N 0.954 120.741 119.800 -0.022 0.000 2.491 214 Q HA 0.245 4.583 4.340 -0.002 0.000 0.214 214 Q C 0.984 176.976 176.000 -0.012 0.000 0.970 214 Q CA 0.563 56.356 55.803 -0.016 0.000 0.960 214 Q CB -0.583 28.146 28.738 -0.014 0.000 0.996 214 Q HN 0.481 nan 8.270 nan 0.000 0.524 215 G N -0.203 108.589 108.800 -0.013 0.000 2.148 215 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.254 215 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.254 215 G C 0.325 175.221 174.900 -0.005 0.000 0.981 215 G CA -0.182 44.914 45.100 -0.007 0.000 0.670 215 G HN 0.754 nan 8.290 nan 0.000 0.528 216 G N -0.414 108.379 108.800 -0.011 0.000 2.507 216 G HA2 0.547 4.506 3.960 -0.002 0.000 0.271 216 G HA3 0.547 4.506 3.960 -0.002 0.000 0.271 216 G C 0.075 174.970 174.900 -0.010 0.000 1.189 216 G CA -0.491 44.603 45.100 -0.010 0.000 0.859 216 G HN 0.419 nan 8.290 nan 0.000 0.542 217 K N -0.089 120.309 120.400 -0.004 0.000 2.174 217 K HA 0.398 4.716 4.320 -0.002 0.000 0.275 217 K C -0.665 175.923 176.600 -0.021 0.000 1.015 217 K CA -0.479 55.810 56.287 0.003 0.000 0.933 217 K CB 2.088 34.601 32.500 0.022 0.000 1.025 217 K HN 0.158 nan 8.250 nan 0.000 0.463 218 V N 4.766 124.662 119.914 -0.029 0.000 2.311 218 V HA 0.173 4.292 4.120 -0.002 0.000 0.275 218 V C -0.801 175.256 176.094 -0.063 0.000 1.022 218 V CA -0.867 61.396 62.300 -0.062 0.000 0.830 218 V CB 0.573 32.341 31.823 -0.092 0.000 1.012 218 V HN 0.500 nan 8.190 nan 0.000 0.452 219 L N 6.785 127.958 121.223 -0.083 0.000 2.287 219 L HA 0.491 4.830 4.340 -0.002 0.000 0.280 219 L C -0.014 176.779 176.870 -0.129 0.000 1.055 219 L CA 0.255 55.032 54.840 -0.106 0.000 0.863 219 L CB 0.526 42.536 42.059 -0.083 0.000 1.245 219 L HN 0.471 nan 8.230 nan 0.000 0.432 220 I N 5.697 126.206 120.570 -0.103 0.000 2.282 220 I HA 0.252 4.421 4.170 -0.002 0.000 0.290 220 I C -1.968 174.097 176.117 -0.087 0.000 1.090 220 I CA -1.712 59.540 61.300 -0.081 0.000 1.231 220 I CB 0.786 38.776 38.000 -0.016 0.000 1.434 220 I HN 0.348 nan 8.210 nan 0.000 0.487 221 P HA 0.114 nan 4.420 nan 0.000 0.271 221 P C -0.315 176.914 177.300 -0.118 0.000 1.226 221 P CA 0.184 63.236 63.100 -0.081 0.000 0.765 221 P CB 0.978 32.673 31.700 -0.009 0.000 0.835 222 T N 0.370 114.826 114.554 -0.163 0.000 2.865 222 T HA 0.638 4.987 4.350 -0.002 0.000 0.294 222 T C -0.486 174.069 174.700 -0.242 0.000 1.119 222 T CA -0.715 61.280 62.100 -0.175 0.000 1.007 222 T CB 0.814 69.655 68.868 -0.046 0.000 1.225 222 T HN 0.040 nan 8.240 nan 0.000 0.515 223 F N 0.435 120.412 119.950 0.045 0.000 2.385 223 F HA 0.612 5.137 4.527 -0.002 0.000 0.336 223 F C 1.682 177.500 175.800 0.031 0.000 1.100 223 F CA -0.824 57.205 58.000 0.048 0.000 1.116 223 F CB 1.236 40.273 39.000 0.061 0.000 1.166 223 F HN 0.857 nan 8.300 nan 0.000 0.511 224 A N 2.131 125.084 122.820 0.223 0.000 2.066 224 A HA -0.006 4.312 4.320 -0.002 0.000 0.218 224 A C 1.930 179.579 177.584 0.107 0.000 1.157 224 A CA 1.080 53.187 52.037 0.115 0.000 0.670 224 A CB -0.797 18.258 19.000 0.092 0.000 0.804 224 A HN 0.620 nan 8.150 nan 0.000 0.453 225 V N -0.363 119.655 119.914 0.174 0.000 2.214 225 V HA -0.211 3.908 4.120 -0.002 0.000 0.245 225 V C 2.338 178.502 176.094 0.116 0.000 1.047 225 V CA 2.364 64.753 62.300 0.148 0.000 0.998 225 V CB -0.410 31.528 31.823 0.191 0.000 0.633 225 V HN 0.728 nan 8.190 nan 0.000 0.446 226 E N -1.548 118.731 120.200 0.132 0.000 2.614 226 E HA 0.027 4.376 4.350 -0.002 0.000 0.201 226 E C 2.114 178.776 176.600 0.103 0.000 0.889 226 E CA -0.086 56.377 56.400 0.106 0.000 1.564 226 E CB 0.334 30.078 29.700 0.073 0.000 1.623 226 E HN 0.270 nan 8.360 nan 0.000 0.898 227 R N 1.660 122.257 120.500 0.161 0.000 2.080 227 R HA -0.023 4.316 4.340 -0.002 0.000 0.236 227 R C 2.182 178.541 176.300 0.098 0.000 1.137 227 R CA 2.251 58.451 56.100 0.166 0.000 0.943 227 R CB -0.778 29.671 30.300 0.247 0.000 0.846 227 R HN 0.183 nan 8.270 nan 0.000 0.431 228 A N 1.010 123.871 122.820 0.068 0.000 1.859 228 A HA -0.275 4.044 4.320 -0.002 0.000 0.218 228 A C 1.854 179.432 177.584 -0.010 0.000 1.209 228 A CA 2.177 54.223 52.037 0.015 0.000 0.639 228 A CB -0.892 18.106 19.000 -0.003 0.000 0.835 228 A HN 0.584 nan 8.150 nan 0.000 0.450 229 Q N -0.124 119.601 119.800 -0.125 0.000 2.500 229 Q HA -0.144 4.195 4.340 -0.002 0.000 0.213 229 Q C 1.512 177.532 176.000 0.035 0.000 0.974 229 Q CA 1.491 57.155 55.803 -0.231 0.000 0.918 229 Q CB -0.450 27.745 28.738 -0.904 0.000 0.980 229 Q HN 0.910 nan 8.270 nan 0.000 0.505 230 E N 0.645 120.920 120.200 0.126 0.000 2.086 230 E HA -0.079 4.270 4.350 -0.002 0.000 0.190 230 E C 1.807 178.613 176.600 0.345 0.000 0.975 230 E CA 0.250 56.831 56.400 0.302 0.000 0.813 230 E CB 0.234 30.086 29.700 0.253 0.000 0.768 230 E HN 0.180 nan 8.360 nan 0.000 0.457 231 I N 1.658 122.341 120.570 0.189 0.000 2.226 231 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 231 I C 2.458 178.690 176.117 0.193 0.000 1.100 231 I CA 1.151 62.518 61.300 0.111 0.000 1.374 231 I CB -1.117 36.893 38.000 0.017 0.000 1.057 231 I HN 0.301 nan 8.210 nan 0.000 0.413 232 L N -0.703 120.641 121.223 0.203 0.000 2.127 232 L HA -0.279 4.059 4.340 -0.002 0.000 0.211 232 L C 2.689 179.732 176.870 0.289 0.000 1.089 232 L CA 1.465 56.434 54.840 0.214 0.000 0.757 232 L CB -0.861 41.311 42.059 0.188 0.000 0.899 232 L HN 0.211 nan 8.230 nan 0.000 0.434 233 Y N 0.705 121.171 120.300 0.277 0.000 2.092 233 Y HA -0.221 4.328 4.550 -0.002 0.000 0.282 233 Y C 2.494 178.518 175.900 0.208 0.000 1.126 233 Y CA 1.657 59.874 58.100 0.194 0.000 1.111 233 Y CB -0.543 38.080 38.460 0.270 0.000 0.987 233 Y HN -0.180 nan 8.280 nan 0.000 0.489 234 V N 1.093 121.168 119.914 0.269 0.000 2.311 234 V HA -0.415 3.704 4.120 -0.002 0.000 0.256 234 V C 2.491 178.716 176.094 0.217 0.000 1.077 234 V CA 2.335 64.775 62.300 0.234 0.000 1.067 234 V CB -1.127 30.809 31.823 0.188 0.000 0.659 234 V HN 0.487 nan 8.190 nan 0.000 0.451 235 L N -1.671 119.665 121.223 0.189 0.000 2.023 235 L HA -0.167 4.172 4.340 -0.002 0.000 0.205 235 L C 2.497 179.401 176.870 0.057 0.000 1.073 235 L CA 2.148 57.085 54.840 0.160 0.000 0.745 235 L CB -0.896 41.250 42.059 0.146 0.000 0.900 235 L HN 0.335 nan 8.230 nan 0.000 0.435 236 Y N 1.759 121.998 120.300 -0.102 0.000 2.219 236 Y HA -0.327 4.222 4.550 -0.001 0.000 0.283 236 Y C 2.350 178.105 175.900 -0.242 0.000 1.191 236 Y CA 1.961 59.955 58.100 -0.176 0.000 1.199 236 Y CB -0.167 38.156 38.460 -0.228 0.000 0.972 236 Y HN 0.295 nan 8.280 nan 0.000 0.527 237 T N -3.434 111.028 114.554 -0.153 0.000 3.251 237 T HA 0.194 4.542 4.350 -0.002 0.000 0.259 237 T C 0.058 174.403 174.700 -0.593 0.000 0.998 237 T CA -0.072 61.834 62.100 -0.324 0.000 0.905 237 T CB -0.237 68.396 68.868 -0.391 0.000 1.067 237 T HN 0.475 nan 8.240 nan 0.000 0.569 238 H N -1.076 117.928 119.070 -0.110 0.000 3.483 238 H HA 0.292 4.847 4.556 -0.003 0.000 0.265 238 H C 1.615 176.747 175.328 -0.327 0.000 1.156 238 H CA 0.013 55.937 56.048 -0.206 0.000 1.032 238 H CB 0.286 30.004 29.762 -0.073 0.000 2.767 238 H HN 0.461 nan 8.280 nan 0.000 0.751 239 G N 0.315 108.994 108.800 -0.202 0.000 2.494 239 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.216 239 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.216 239 G C 1.452 176.229 174.900 -0.204 0.000 1.140 239 G CA 0.678 45.670 45.100 -0.180 0.000 0.801 239 G HN 0.499 nan 8.290 nan 0.000 0.536 240 H N 1.572 120.587 119.070 -0.092 0.000 2.492 240 H HA -0.115 4.439 4.556 -0.003 0.000 0.296 240 H C 2.166 177.469 175.328 -0.043 0.000 1.095 240 H CA 1.647 57.646 56.048 -0.081 0.000 1.281 240 H CB -0.240 29.467 29.762 -0.091 0.000 1.374 240 H HN 0.523 nan 8.280 nan 0.000 0.545 241 R N 0.129 120.396 120.500 -0.389 0.000 2.373 241 R HA 0.341 4.680 4.340 -0.002 0.000 0.221 241 R C -0.096 176.134 176.300 -0.118 0.000 0.893 241 R CA -0.173 55.839 56.100 -0.147 0.000 1.049 241 R CB 0.193 30.378 30.300 -0.192 0.000 1.119 241 R HN 0.193 nan 8.270 nan 0.000 0.535 242 L N 3.672 124.809 121.223 -0.144 0.000 2.326 242 L HA 0.418 4.757 4.340 -0.002 0.000 0.278 242 L C -1.869 174.956 176.870 -0.074 0.000 1.092 242 L CA -2.488 52.291 54.840 -0.101 0.000 0.810 242 L CB 0.983 42.983 42.059 -0.099 0.000 1.153 242 L HN -0.003 nan 8.230 nan 0.000 0.439 243 P HA -0.004 nan 4.420 nan 0.000 0.264 243 P C -0.656 176.615 177.300 -0.048 0.000 1.236 243 P CA -0.442 62.630 63.100 -0.048 0.000 0.811 243 P CB 0.048 31.722 31.700 -0.044 0.000 0.840 244 R N 2.520 122.992 120.500 -0.045 0.000 3.252 244 R HA 0.215 4.554 4.340 -0.002 0.000 0.333 244 R C -0.197 176.078 176.300 -0.041 0.000 0.722 244 R CA 0.121 56.194 56.100 -0.047 0.000 1.078 244 R CB -0.931 29.344 30.300 -0.041 0.000 0.898 244 R HN 0.411 nan 8.270 nan 0.000 0.379 245 A N 4.637 127.427 122.820 -0.048 0.000 2.435 245 A HA 0.689 5.008 4.320 -0.002 0.000 0.296 245 A C -2.449 175.091 177.584 -0.073 0.000 1.147 245 A CA -1.872 50.142 52.037 -0.039 0.000 0.775 245 A CB 1.560 20.543 19.000 -0.028 0.000 1.340 245 A HN 0.686 nan 8.150 nan 0.000 0.427 246 P HA 0.361 nan 4.420 nan 0.000 0.288 246 P C -0.916 176.140 177.300 -0.408 0.000 1.363 246 P CA 0.171 63.105 63.100 -0.277 0.000 0.837 246 P CB 0.221 31.788 31.700 -0.222 0.000 0.981 247 I N 4.976 125.339 120.570 -0.345 0.000 2.421 247 I HA 0.100 4.268 4.170 -0.002 0.000 0.291 247 I C 0.109 176.024 176.117 -0.337 0.000 1.089 247 I CA -0.201 60.967 61.300 -0.219 0.000 1.354 247 I CB -0.241 37.698 38.000 -0.101 0.000 1.413 247 I HN 0.298 nan 8.210 nan 0.000 0.513 248 Y N 6.420 126.714 120.300 -0.010 0.000 2.352 248 Y HA 0.434 4.983 4.550 -0.003 0.000 0.339 248 Y C -0.201 175.681 175.900 -0.030 0.000 0.992 248 Y CA -0.913 57.179 58.100 -0.013 0.000 1.100 248 Y CB 1.661 40.115 38.460 -0.009 0.000 1.192 248 Y HN 0.383 nan 8.280 nan 0.000 0.458 249 L N 4.426 125.723 121.223 0.124 0.000 2.335 249 L HA 0.356 4.694 4.340 -0.002 0.000 0.268 249 L C -0.601 176.308 176.870 0.064 0.000 1.037 249 L CA -0.400 54.475 54.840 0.059 0.000 0.895 249 L CB 0.139 42.217 42.059 0.032 0.000 1.266 249 L HN 0.534 nan 8.230 nan 0.000 0.439 250 D N 2.424 122.849 120.400 0.043 0.000 2.558 250 D HA 0.301 4.939 4.640 -0.002 0.000 0.221 250 D C -0.877 175.445 176.300 0.036 0.000 1.143 250 D CA 0.559 54.591 54.000 0.053 0.000 1.010 250 D CB 0.191 41.034 40.800 0.071 0.000 1.068 250 D HN 0.369 nan 8.370 nan 0.000 0.511 251 S N 2.747 118.468 115.700 0.036 0.000 2.584 251 S HA 0.270 4.739 4.470 -0.002 0.000 0.282 251 S C -2.285 172.334 174.600 0.032 0.000 1.138 251 S CA -0.892 57.326 58.200 0.031 0.000 0.987 251 S CB 1.377 64.590 63.200 0.021 0.000 1.137 251 S HN -0.002 nan 8.310 nan 0.000 0.457 252 P HA -0.064 nan 4.420 nan 0.000 0.218 252 P C 1.427 178.747 177.300 0.033 0.000 1.148 252 P CA 0.862 63.985 63.100 0.038 0.000 0.822 252 P CB 0.138 31.867 31.700 0.048 0.000 0.784 253 M N -1.069 118.553 119.600 0.036 0.000 2.191 253 M HA -0.005 4.473 4.480 -0.002 0.000 0.262 253 M C 1.980 178.295 176.300 0.025 0.000 1.083 253 M CA 1.583 56.906 55.300 0.038 0.000 1.154 253 M CB -0.401 32.231 32.600 0.054 0.000 1.344 253 M HN -0.138 nan 8.290 nan 0.000 0.431 254 A N 0.149 122.982 122.820 0.021 0.000 2.084 254 A HA -0.103 4.216 4.320 -0.002 0.000 0.221 254 A C 2.105 179.671 177.584 -0.031 0.000 1.161 254 A CA 1.896 53.930 52.037 -0.005 0.000 0.653 254 A CB -1.479 17.521 19.000 -0.001 0.000 0.802 254 A HN 0.672 nan 8.150 nan 0.000 0.457 255 G N -0.872 107.925 108.800 -0.006 0.000 2.395 255 G HA2 -0.148 3.810 3.960 -0.002 0.000 0.214 255 G HA3 -0.148 3.810 3.960 -0.002 0.000 0.214 255 G C 1.750 176.647 174.900 -0.004 0.000 1.177 255 G CA 0.638 45.735 45.100 -0.005 0.000 0.794 255 G HN 0.531 nan 8.290 nan 0.000 0.532 256 R N -0.165 120.340 120.500 0.008 0.000 2.096 256 R HA -0.027 4.312 4.340 -0.002 0.000 0.235 256 R C 2.629 178.939 176.300 0.017 0.000 1.127 256 R CA 1.082 57.193 56.100 0.019 0.000 0.968 256 R CB -0.489 29.827 30.300 0.026 0.000 0.861 256 R HN 0.287 nan 8.270 nan 0.000 0.440 257 V N 1.293 121.205 119.914 -0.004 0.000 2.490 257 V HA -0.220 3.899 4.120 -0.002 0.000 0.250 257 V C 2.137 178.188 176.094 -0.072 0.000 1.061 257 V CA 1.324 63.620 62.300 -0.007 0.000 1.064 257 V CB -0.368 31.428 31.823 -0.045 0.000 0.670 257 V HN 0.234 nan 8.190 nan 0.000 0.461 258 L N -0.001 121.136 121.223 -0.142 0.000 2.093 258 L HA -0.082 4.257 4.340 -0.002 0.000 0.208 258 L C 2.498 179.386 176.870 0.031 0.000 1.085 258 L CA 1.904 56.647 54.840 -0.161 0.000 0.755 258 L CB -0.533 41.461 42.059 -0.108 0.000 0.904 258 L HN 0.265 nan 8.230 nan 0.000 0.435 259 S N -0.644 115.084 115.700 0.047 0.000 2.399 259 S HA -0.139 4.330 4.470 -0.002 0.000 0.231 259 S C 1.748 176.417 174.600 0.116 0.000 1.022 259 S CA 1.393 59.642 58.200 0.081 0.000 0.983 259 S CB -0.356 62.878 63.200 0.057 0.000 0.803 259 S HN 0.378 nan 8.310 nan 0.000 0.480 260 L N 0.326 121.627 121.223 0.129 0.000 2.127 260 L HA 0.192 4.530 4.340 -0.002 0.000 0.203 260 L C 1.706 178.721 176.870 0.243 0.000 1.080 260 L CA 1.357 56.288 54.840 0.151 0.000 0.768 260 L CB -0.850 41.283 42.059 0.124 0.000 0.924 260 L HN 0.281 nan 8.230 nan 0.000 0.444 261 Y N 0.244 120.585 120.300 0.069 0.000 2.144 261 Y HA -0.344 4.204 4.550 -0.002 0.000 0.277 261 Y C -0.359 175.681 175.900 0.233 0.000 1.229 261 Y CA 1.852 60.050 58.100 0.163 0.000 1.144 261 Y CB -1.439 36.996 38.460 -0.041 0.000 0.953 261 Y HN 0.315 nan 8.280 nan 0.000 0.515 262 P HA -0.122 nan 4.420 nan 0.000 0.221 262 P C 0.683 177.971 177.300 -0.020 0.000 1.150 262 P CA 1.632 64.793 63.100 0.102 0.000 0.800 262 P CB 0.005 31.856 31.700 0.251 0.000 0.787 263 R N -1.111 119.416 120.500 0.044 0.000 2.323 263 R HA 0.083 4.422 4.340 -0.002 0.000 0.198 263 R C 0.275 176.569 176.300 -0.010 0.000 0.988 263 R CA 0.471 56.578 56.100 0.011 0.000 1.041 263 R CB -0.293 30.022 30.300 0.025 0.000 0.926 263 R HN 0.162 nan 8.270 nan 0.000 0.476 264 L N -0.087 121.121 121.223 -0.025 0.000 3.110 264 L HA 0.098 4.437 4.340 -0.002 0.000 0.266 264 L C 1.337 178.110 176.870 -0.162 0.000 1.257 264 L CA 0.237 55.022 54.840 -0.091 0.000 1.038 264 L CB 0.651 42.501 42.059 -0.347 0.000 1.395 264 L HN -0.091 nan 8.230 nan 0.000 0.566 265 V N 1.447 121.284 119.914 -0.130 0.000 2.252 265 V HA -0.314 3.805 4.120 -0.002 0.000 0.249 265 V C 2.620 178.664 176.094 -0.083 0.000 1.056 265 V CA 2.490 64.684 62.300 -0.177 0.000 1.022 265 V CB -0.124 31.461 31.823 -0.397 0.000 0.641 265 V HN 0.769 nan 8.190 nan 0.000 0.445 266 R N -1.645 118.745 120.500 -0.182 0.000 2.241 266 R HA -0.149 4.189 4.340 -0.002 0.000 0.224 266 R C 1.951 178.035 176.300 -0.361 0.000 1.101 266 R CA 2.037 57.984 56.100 -0.254 0.000 0.995 266 R CB -0.850 29.254 30.300 -0.327 0.000 0.870 266 R HN 0.598 nan 8.270 nan 0.000 0.463 267 Y N 0.221 120.311 120.300 -0.351 0.000 2.544 267 Y HA 0.147 4.696 4.550 -0.002 0.000 0.286 267 Y C 0.530 176.125 175.900 -0.507 0.000 1.141 267 Y CA 0.045 57.875 58.100 -0.450 0.000 1.299 267 Y CB 0.083 38.163 38.460 -0.634 0.000 1.030 267 Y HN -0.114 nan 8.280 nan 0.000 0.543 268 F N -0.761 119.170 119.950 -0.032 0.000 2.291 268 F HA 0.295 4.821 4.527 -0.002 0.000 0.305 268 F C 1.128 176.886 175.800 -0.070 0.000 1.171 268 F CA -1.327 56.638 58.000 -0.058 0.000 1.090 268 F CB -0.134 38.857 39.000 -0.014 0.000 1.436 268 F HN -0.308 nan 8.300 nan 0.000 0.509 269 S N -0.087 115.701 115.700 0.147 0.000 2.624 269 S HA 0.133 4.602 4.470 -0.002 0.000 0.263 269 S C 0.876 175.490 174.600 0.023 0.000 1.287 269 S CA -0.656 57.561 58.200 0.028 0.000 0.990 269 S CB 0.843 64.032 63.200 -0.019 0.000 0.950 269 S HN 0.536 nan 8.310 nan 0.000 0.561 270 E N 1.143 121.342 120.200 -0.002 0.000 2.038 270 E HA -0.222 4.127 4.350 -0.002 0.000 0.195 270 E C 1.888 178.482 176.600 -0.011 0.000 1.000 270 E CA 1.723 58.124 56.400 0.003 0.000 0.803 270 E CB -0.807 28.893 29.700 -0.001 0.000 0.750 270 E HN 0.943 nan 8.360 nan 0.000 0.448 271 E N 0.832 121.013 120.200 -0.032 0.000 2.086 271 E HA -0.215 4.134 4.350 -0.002 0.000 0.205 271 E C 2.149 178.598 176.600 -0.253 0.000 1.027 271 E CA 2.077 58.431 56.400 -0.076 0.000 0.830 271 E CB 0.039 29.719 29.700 -0.034 0.000 0.751 271 E HN 0.052 nan 8.360 nan 0.000 0.456 272 V N 1.062 120.837 119.914 -0.232 0.000 2.407 272 V HA -0.270 3.849 4.120 -0.002 0.000 0.248 272 V C 2.461 178.540 176.094 -0.024 0.000 1.055 272 V CA 2.174 64.287 62.300 -0.312 0.000 1.049 272 V CB -0.626 31.044 31.823 -0.256 0.000 0.662 272 V HN 0.348 nan 8.190 nan 0.000 0.455 273 Q N 0.026 119.896 119.800 0.117 0.000 2.124 273 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 273 Q C 2.487 178.610 176.000 0.206 0.000 0.977 273 Q CA 1.603 57.553 55.803 0.245 0.000 0.850 273 Q CB -0.468 28.348 28.738 0.129 0.000 0.901 273 Q HN 0.662 nan 8.270 nan 0.000 0.429 274 A N 1.326 124.204 122.820 0.097 0.000 1.903 274 A HA -0.279 4.039 4.320 -0.002 0.000 0.219 274 A C 1.665 179.367 177.584 0.197 0.000 1.191 274 A CA 1.865 53.978 52.037 0.126 0.000 0.638 274 A CB -1.072 17.998 19.000 0.117 0.000 0.823 274 A HN 0.483 nan 8.150 nan 0.000 0.451 275 H N -2.385 116.676 119.070 -0.014 0.000 2.290 275 H HA -0.153 4.402 4.556 -0.002 0.000 0.298 275 H C 1.945 177.181 175.328 -0.154 0.000 1.087 275 H CA 1.398 57.359 56.048 -0.146 0.000 1.291 275 H CB -0.296 29.258 29.762 -0.347 0.000 1.369 275 H HN 0.546 nan 8.280 nan 0.000 0.492 276 F N 0.309 120.319 119.950 0.100 0.000 2.236 276 F HA -0.182 4.344 4.527 -0.002 0.000 0.302 276 F C 2.214 178.050 175.800 0.060 0.000 1.073 276 F CA 0.572 58.611 58.000 0.064 0.000 1.336 276 F CB -0.226 38.816 39.000 0.070 0.000 1.040 276 F HN 0.088 nan 8.300 nan 0.000 0.507 277 L N -0.382 120.974 121.223 0.222 0.000 2.109 277 L HA -0.114 4.224 4.340 -0.002 0.000 0.207 277 L C 2.298 179.225 176.870 0.095 0.000 1.086 277 L CA 1.501 56.426 54.840 0.141 0.000 0.760 277 L CB -0.797 41.331 42.059 0.115 0.000 0.910 277 L HN 0.091 nan 8.230 nan 0.000 0.437 278 Q N -0.399 119.447 119.800 0.077 0.000 2.437 278 Q HA 0.044 4.382 4.340 -0.002 0.000 0.210 278 Q C 1.403 177.422 176.000 0.031 0.000 0.972 278 Q CA 0.950 56.776 55.803 0.038 0.000 0.903 278 Q CB -0.094 28.649 28.738 0.008 0.000 0.967 278 Q HN 0.600 nan 8.270 nan 0.000 0.486 279 G N 0.972 109.802 108.800 0.050 0.000 2.144 279 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.218 279 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.218 279 G C -0.075 174.836 174.900 0.019 0.000 0.988 279 G CA 0.113 45.244 45.100 0.051 0.000 0.659 279 G HN 0.289 nan 8.290 nan 0.000 0.522 280 K N -0.438 119.935 120.400 -0.046 0.000 2.258 280 K HA 0.604 4.923 4.320 -0.002 0.000 0.236 280 K C -0.624 175.763 176.600 -0.354 0.000 1.008 280 K CA -1.098 55.112 56.287 -0.128 0.000 0.869 280 K CB 1.102 33.535 32.500 -0.111 0.000 1.171 280 K HN 0.023 nan 8.250 nan 0.000 0.447 281 N N 2.238 120.698 118.700 -0.401 0.000 2.696 281 N HA 0.158 4.896 4.740 -0.002 0.000 0.246 281 N C -2.107 172.908 175.510 -0.824 0.000 1.057 281 N CA -2.144 50.569 53.050 -0.562 0.000 0.867 281 N CB 1.069 39.493 38.487 -0.104 0.000 1.141 281 N HN 0.279 nan 8.380 nan 0.000 0.517 282 P HA -0.078 nan 4.420 nan 0.000 0.229 282 P C 0.336 177.140 177.300 -0.827 0.000 1.150 282 P CA 0.740 62.952 63.100 -1.481 0.000 0.765 282 P CB -0.076 31.198 31.700 -0.711 0.000 0.783 283 F N -0.165 119.663 119.950 -0.203 0.000 2.660 283 F HA 0.255 4.781 4.527 -0.002 0.000 0.302 283 F C 1.400 177.197 175.800 -0.005 0.000 1.103 283 F CA -0.038 57.959 58.000 -0.005 0.000 1.340 283 F CB 0.053 39.084 39.000 0.051 0.000 1.048 283 F HN -0.255 nan 8.300 nan 0.000 0.551 284 R N 1.409 121.960 120.500 0.085 0.000 2.644 284 R HA 0.229 4.567 4.340 -0.002 0.000 0.271 284 R C -2.653 173.770 176.300 0.204 0.000 1.687 284 R CA -1.429 54.744 56.100 0.122 0.000 1.655 284 R CB 0.893 31.248 30.300 0.091 0.000 1.285 284 R HN -0.051 nan 8.270 nan 0.000 0.643 285 P HA 0.063 nan 4.420 nan 0.000 0.273 285 P C -0.253 177.083 177.300 0.060 0.000 1.250 285 P CA -0.252 62.967 63.100 0.199 0.000 0.793 285 P CB 0.754 32.529 31.700 0.125 0.000 1.011 286 A N -0.105 122.702 122.820 -0.022 0.000 2.445 286 A HA 0.454 4.773 4.320 -0.002 0.000 0.242 286 A C 1.469 179.015 177.584 -0.063 0.000 1.075 286 A CA 0.656 52.666 52.037 -0.046 0.000 0.777 286 A CB -1.247 17.706 19.000 -0.077 0.000 1.013 286 A HN 0.883 nan 8.150 nan 0.000 0.493 287 G N 0.258 109.013 108.800 -0.075 0.000 2.320 287 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.242 287 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.242 287 G C 0.406 175.199 174.900 -0.178 0.000 1.033 287 G CA 0.444 45.469 45.100 -0.125 0.000 0.620 287 G HN 1.985 nan 8.290 nan 0.000 0.517 288 L N 1.209 122.361 121.223 -0.118 0.000 2.593 288 L HA 0.567 4.905 4.340 -0.002 0.000 0.287 288 L C -0.009 176.793 176.870 -0.113 0.000 1.243 288 L CA 0.701 55.475 54.840 -0.110 0.000 0.890 288 L CB 0.721 42.768 42.059 -0.020 0.000 1.134 288 L HN 0.391 nan 8.230 nan 0.000 0.502 289 E N 3.171 123.296 120.200 -0.125 0.000 2.311 289 E HA 0.433 4.781 4.350 -0.002 0.000 0.281 289 E C -1.655 174.976 176.600 0.052 0.000 0.905 289 E CA -0.468 55.909 56.400 -0.039 0.000 0.778 289 E CB 1.737 31.406 29.700 -0.051 0.000 1.240 289 E HN 0.408 nan 8.360 nan 0.000 0.410 290 V N 4.239 124.183 119.914 0.050 0.000 2.406 290 V HA 0.301 4.420 4.120 -0.002 0.000 0.272 290 V C -0.055 176.073 176.094 0.058 0.000 1.043 290 V CA -0.765 61.568 62.300 0.055 0.000 0.915 290 V CB 1.374 33.214 31.823 0.028 0.000 0.988 290 V HN 0.539 nan 8.190 nan 0.000 0.466 291 V N 5.764 125.724 119.914 0.077 0.000 2.427 291 V HA 0.236 4.354 4.120 -0.002 0.000 0.268 291 V C 1.000 177.106 176.094 0.020 0.000 1.046 291 V CA -0.116 62.217 62.300 0.054 0.000 0.970 291 V CB 1.027 32.896 31.823 0.077 0.000 1.001 291 V HN 0.910 nan 8.190 nan 0.000 0.476 292 E N 2.400 122.573 120.200 -0.044 0.000 2.340 292 E HA 0.136 4.485 4.350 -0.002 0.000 0.198 292 E C 0.261 176.905 176.600 0.072 0.000 0.961 292 E CA 0.446 56.814 56.400 -0.054 0.000 0.905 292 E CB 0.424 30.012 29.700 -0.187 0.000 0.884 292 E HN 0.810 nan 8.360 nan 0.000 0.491 293 H N -0.412 118.673 119.070 0.025 0.000 2.492 293 H HA 0.235 4.790 4.556 -0.002 0.000 0.345 293 H C 0.665 176.000 175.328 0.011 0.000 1.136 293 H CA -0.483 55.575 56.048 0.017 0.000 1.202 293 H CB 1.830 31.600 29.762 0.014 0.000 1.524 293 H HN -0.192 nan 8.280 nan 0.000 0.506 294 T N 1.940 116.573 114.554 0.132 0.000 2.897 294 T HA -0.148 4.201 4.350 -0.002 0.000 0.271 294 T C 1.399 176.130 174.700 0.051 0.000 1.084 294 T CA 1.264 63.401 62.100 0.062 0.000 1.123 294 T CB -0.074 68.814 68.868 0.034 0.000 0.865 294 T HN 0.555 nan 8.240 nan 0.000 0.496 295 E N 1.267 121.508 120.200 0.068 0.000 2.152 295 E HA 0.121 4.469 4.350 -0.002 0.000 0.192 295 E C 2.249 178.864 176.600 0.027 0.000 0.983 295 E CA 0.919 57.344 56.400 0.041 0.000 0.818 295 E CB -0.351 29.378 29.700 0.048 0.000 0.758 295 E HN 0.516 nan 8.360 nan 0.000 0.467 296 A N -0.025 122.822 122.820 0.045 0.000 2.132 296 A HA 0.014 4.333 4.320 -0.002 0.000 0.213 296 A C 2.131 179.702 177.584 -0.022 0.000 1.154 296 A CA 1.036 53.076 52.037 0.006 0.000 0.753 296 A CB -0.285 18.726 19.000 0.018 0.000 0.826 296 A HN 0.213 nan 8.150 nan 0.000 0.469 297 S N 0.011 115.713 115.700 0.004 0.000 2.387 297 S HA -0.098 4.370 4.470 -0.002 0.000 0.226 297 S C 1.767 176.312 174.600 -0.092 0.000 1.026 297 S CA 1.526 59.722 58.200 -0.007 0.000 0.972 297 S CB -0.227 62.981 63.200 0.014 0.000 0.814 297 S HN 0.584 nan 8.310 nan 0.000 0.477 298 K N 0.406 120.770 120.400 -0.059 0.000 2.426 298 K HA 0.303 4.622 4.320 -0.002 0.000 0.193 298 K C 2.019 178.544 176.600 -0.126 0.000 1.028 298 K CA 0.519 56.754 56.287 -0.087 0.000 1.047 298 K CB 0.022 32.501 32.500 -0.036 0.000 0.821 298 K HN 0.414 nan 8.250 nan 0.000 0.513 299 A N 1.295 124.055 122.820 -0.100 0.000 1.874 299 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 299 A C 1.883 179.390 177.584 -0.129 0.000 1.189 299 A CA 0.772 52.748 52.037 -0.100 0.000 0.615 299 A CB -0.420 18.537 19.000 -0.072 0.000 0.830 299 A HN 0.151 nan 8.150 nan 0.000 0.443 300 L N 0.579 121.711 121.223 -0.151 0.000 2.549 300 L HA -0.125 4.214 4.340 -0.002 0.000 0.229 300 L C 1.771 178.569 176.870 -0.119 0.000 1.158 300 L CA 0.276 55.016 54.840 -0.168 0.000 0.842 300 L CB -0.607 41.327 42.059 -0.207 0.000 0.952 300 L HN 0.387 nan 8.230 nan 0.000 0.452 301 N N 0.793 119.388 118.700 -0.175 0.000 2.270 301 N HA -0.121 4.617 4.740 -0.002 0.000 0.181 301 N C 1.869 177.283 175.510 -0.160 0.000 1.016 301 N CA 0.968 53.900 53.050 -0.197 0.000 0.870 301 N CB 0.051 38.336 38.487 -0.336 0.000 0.979 301 N HN 0.516 nan 8.380 nan 0.000 0.431 302 R N 0.320 120.726 120.500 -0.157 0.000 2.307 302 R HA 0.316 4.655 4.340 -0.002 0.000 0.200 302 R C 0.430 176.690 176.300 -0.066 0.000 0.893 302 R CA -0.075 55.958 56.100 -0.112 0.000 1.042 302 R CB -0.238 29.988 30.300 -0.124 0.000 1.059 302 R HN -0.108 nan 8.270 nan 0.000 0.530 303 A N 5.042 127.819 122.820 -0.071 0.000 2.566 303 A HA 0.213 4.532 4.320 -0.002 0.000 0.245 303 A C -1.951 175.619 177.584 -0.022 0.000 1.056 303 A CA -0.885 51.121 52.037 -0.050 0.000 0.757 303 A CB -0.263 18.690 19.000 -0.079 0.000 0.979 303 A HN 0.269 nan 8.150 nan 0.000 0.508 304 P HA 0.213 nan 4.420 nan 0.000 0.271 304 P C 0.582 177.893 177.300 0.018 0.000 1.218 304 P CA 0.232 63.334 63.100 0.004 0.000 0.780 304 P CB 0.910 32.612 31.700 0.003 0.000 0.901 305 G N 2.861 111.673 108.800 0.020 0.000 2.588 305 G HA2 0.374 4.333 3.960 -0.002 0.000 0.278 305 G HA3 0.374 4.333 3.960 -0.002 0.000 0.278 305 G C -2.222 172.693 174.900 0.024 0.000 1.307 305 G CA -1.084 44.033 45.100 0.029 0.000 1.016 305 G HN 0.436 nan 8.290 nan 0.000 0.503 306 P HA 0.385 nan 4.420 nan 0.000 0.274 306 P C -0.576 176.754 177.300 0.050 0.000 1.246 306 P CA 0.030 63.142 63.100 0.019 0.000 0.795 306 P CB 1.128 32.828 31.700 -0.000 0.000 1.006 307 M N -1.579 118.052 119.600 0.051 0.000 2.525 307 M HA 0.259 4.738 4.480 -0.002 0.000 0.286 307 M C -1.917 174.428 176.300 0.074 0.000 1.019 307 M CA -0.871 54.493 55.300 0.108 0.000 0.865 307 M CB 0.865 33.595 32.600 0.216 0.000 1.851 307 M HN -0.168 nan 8.290 nan 0.000 0.544 308 V N 3.259 123.211 119.914 0.062 0.000 2.353 308 V HA 0.469 4.588 4.120 -0.002 0.000 0.264 308 V C -0.293 175.843 176.094 0.070 0.000 1.049 308 V CA -0.490 61.826 62.300 0.026 0.000 0.896 308 V CB 1.101 32.922 31.823 -0.003 0.000 1.025 308 V HN 0.667 nan 8.190 nan 0.000 0.475 309 V N 7.072 127.001 119.914 0.025 0.000 2.398 309 V HA 0.476 4.594 4.120 -0.002 0.000 0.286 309 V C -0.305 175.725 176.094 -0.108 0.000 1.026 309 V CA -0.585 61.694 62.300 -0.035 0.000 0.868 309 V CB 1.585 33.306 31.823 -0.169 0.000 0.982 309 V HN 0.537 nan 8.190 nan 0.000 0.443 310 L N 4.698 125.870 121.223 -0.085 0.000 2.333 310 L HA 0.939 5.277 4.340 -0.002 0.000 0.280 310 L C 0.123 176.924 176.870 -0.115 0.000 1.004 310 L CA -0.058 54.733 54.840 -0.082 0.000 0.820 310 L CB 1.534 43.580 42.059 -0.022 0.000 1.247 310 L HN 0.863 nan 8.230 nan 0.000 0.416 311 A N 1.633 124.379 122.820 -0.123 0.000 2.608 311 A HA 0.854 5.173 4.320 -0.002 0.000 0.292 311 A C -0.531 177.010 177.584 -0.071 0.000 1.066 311 A CA -0.075 51.907 52.037 -0.091 0.000 0.676 311 A CB 1.101 20.027 19.000 -0.123 0.000 1.277 311 A HN 0.743 nan 8.150 nan 0.000 0.413 312 G N -0.275 108.500 108.800 -0.041 0.000 2.521 312 G HA2 0.565 4.524 3.960 -0.002 0.000 0.323 312 G HA3 0.565 4.524 3.960 -0.002 0.000 0.323 312 G C 0.264 175.150 174.900 -0.025 0.000 1.211 312 G CA 0.302 45.370 45.100 -0.055 0.000 0.979 312 G HN 1.429 nan 8.290 nan 0.000 0.490 313 S N -1.468 114.219 115.700 -0.021 0.000 2.579 313 S HA 0.342 4.811 4.470 -0.002 0.000 0.275 313 S C 1.663 176.154 174.600 -0.182 0.000 1.345 313 S CA 0.339 58.509 58.200 -0.050 0.000 1.031 313 S CB 0.812 64.020 63.200 0.013 0.000 0.892 313 S HN 0.967 nan 8.310 nan 0.000 0.529 314 G N 2.937 111.448 108.800 -0.482 0.000 2.813 314 G HA2 0.029 3.987 3.960 -0.002 0.000 0.209 314 G HA3 0.029 3.987 3.960 -0.002 0.000 0.209 314 G C 1.023 175.613 174.900 -0.518 0.000 1.150 314 G CA 0.054 44.651 45.100 -0.838 0.000 0.785 314 G HN 0.634 nan 8.290 nan 0.000 0.535 315 M N -0.017 119.449 119.600 -0.223 0.000 2.441 315 M HA 0.361 4.840 4.480 -0.002 0.000 0.244 315 M C 1.015 177.317 176.300 0.004 0.000 1.122 315 M CA 0.029 55.331 55.300 0.003 0.000 1.041 315 M CB -0.381 32.315 32.600 0.160 0.000 1.438 315 M HN 0.177 nan 8.290 nan 0.000 0.484 316 L N -0.439 120.783 121.223 -0.002 0.000 3.865 316 L HA -0.271 4.067 4.340 -0.002 0.000 0.408 316 L C 1.012 177.906 176.870 0.039 0.000 1.209 316 L CA 0.267 55.128 54.840 0.036 0.000 0.940 316 L CB -2.200 39.903 42.059 0.073 0.000 1.971 316 L HN 0.347 nan 8.230 nan 0.000 0.899 317 A N -0.665 122.181 122.820 0.042 0.000 2.308 317 A HA 0.638 4.957 4.320 -0.002 0.000 0.217 317 A C 1.191 178.803 177.584 0.047 0.000 1.216 317 A CA 1.023 53.090 52.037 0.050 0.000 0.864 317 A CB 0.243 19.283 19.000 0.067 0.000 0.902 317 A HN 0.961 nan 8.150 nan 0.000 0.499 318 G N -3.186 105.638 108.800 0.040 0.000 2.345 318 G HA2 0.543 4.502 3.960 -0.002 0.000 0.285 318 G HA3 0.543 4.502 3.960 -0.002 0.000 0.285 318 G C 0.342 175.250 174.900 0.013 0.000 1.297 318 G CA 0.297 45.417 45.100 0.033 0.000 0.875 318 G HN 2.028 nan 8.290 nan 0.000 0.506 319 G N -0.855 107.939 108.800 -0.010 0.000 2.584 319 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.229 319 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.229 319 G C 0.794 175.618 174.900 -0.126 0.000 1.320 319 G CA 0.792 45.865 45.100 -0.044 0.000 0.891 319 G HN 1.119 nan 8.290 nan 0.000 0.573 320 R N -0.714 119.732 120.500 -0.091 0.000 2.161 320 R HA 0.142 4.481 4.340 -0.002 0.000 0.213 320 R C 2.667 179.032 176.300 0.109 0.000 1.055 320 R CA 1.065 57.110 56.100 -0.091 0.000 0.996 320 R CB -0.213 30.107 30.300 0.033 0.000 0.901 320 R HN 0.461 nan 8.270 nan 0.000 0.456 321 I N 1.583 122.205 120.570 0.088 0.000 2.208 321 I HA -0.277 3.892 4.170 -0.002 0.000 0.245 321 I C 1.768 177.970 176.117 0.142 0.000 1.097 321 I CA 1.485 62.852 61.300 0.112 0.000 1.363 321 I CB -0.174 37.841 38.000 0.024 0.000 1.051 321 I HN 0.103 nan 8.210 nan 0.000 0.413 322 L N -0.245 121.034 121.223 0.093 0.000 1.956 322 L HA -0.343 3.995 4.340 -0.002 0.000 0.216 322 L C 2.622 179.614 176.870 0.203 0.000 1.073 322 L CA 2.310 57.228 54.840 0.130 0.000 0.762 322 L CB -1.400 40.744 42.059 0.141 0.000 0.889 322 L HN 0.383 nan 8.230 nan 0.000 0.433 323 H N -1.486 117.603 119.070 0.031 0.000 2.321 323 H HA -0.233 4.322 4.556 -0.002 0.000 0.295 323 H C 2.360 177.703 175.328 0.025 0.000 1.102 323 H CA 1.400 57.458 56.048 0.018 0.000 1.266 323 H CB -0.231 29.513 29.762 -0.030 0.000 1.363 323 H HN 0.451 nan 8.280 nan 0.000 0.492 324 H N 0.192 119.370 119.070 0.180 0.000 2.357 324 H HA -0.143 4.411 4.556 -0.002 0.000 0.296 324 H C 2.371 177.734 175.328 0.058 0.000 1.108 324 H CA 1.390 57.495 56.048 0.095 0.000 1.273 324 H CB -0.029 29.753 29.762 0.032 0.000 1.367 324 H HN 0.210 nan 8.280 nan 0.000 0.498 325 L N 0.869 122.178 121.223 0.143 0.000 2.044 325 L HA -0.095 4.244 4.340 -0.002 0.000 0.205 325 L C 2.657 179.523 176.870 -0.007 0.000 1.075 325 L CA 1.322 56.190 54.840 0.047 0.000 0.747 325 L CB -0.672 41.402 42.059 0.025 0.000 0.903 325 L HN 0.106 nan 8.230 nan 0.000 0.435 326 K N -0.606 119.765 120.400 -0.048 0.000 2.052 326 K HA -0.240 4.079 4.320 -0.002 0.000 0.215 326 K C 1.217 177.634 176.600 -0.304 0.000 1.053 326 K CA 1.794 57.954 56.287 -0.211 0.000 0.934 326 K CB -0.193 32.111 32.500 -0.326 0.000 0.717 326 K HN 0.431 nan 8.250 nan 0.000 0.450 327 H N -1.766 117.291 119.070 -0.023 0.000 2.660 327 H HA 0.172 4.726 4.556 -0.002 0.000 0.310 327 H C 0.787 176.106 175.328 -0.015 0.000 1.080 327 H CA 0.761 56.790 56.048 -0.031 0.000 1.145 327 H CB 0.905 30.635 29.762 -0.053 0.000 1.432 327 H HN 0.543 nan 8.280 nan 0.000 0.542 328 G N -0.249 108.580 108.800 0.048 0.000 2.937 328 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.162 328 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.162 328 G C 1.017 175.915 174.900 -0.004 0.000 1.352 328 G CA -0.204 44.917 45.100 0.034 0.000 0.843 328 G HN 0.169 nan 8.290 nan 0.000 0.965 329 L N 2.499 123.708 121.223 -0.022 0.000 2.465 329 L HA 0.211 4.550 4.340 -0.002 0.000 0.224 329 L C 1.993 178.841 176.870 -0.037 0.000 1.145 329 L CA 1.571 56.387 54.840 -0.039 0.000 0.834 329 L CB 0.127 42.159 42.059 -0.044 0.000 0.944 329 L HN 0.255 nan 8.230 nan 0.000 0.451 330 S N -1.824 113.858 115.700 -0.030 0.000 2.577 330 S HA 0.312 4.781 4.470 -0.002 0.000 0.239 330 S C -0.169 174.422 174.600 -0.016 0.000 1.236 330 S CA -0.642 57.543 58.200 -0.025 0.000 1.233 330 S CB -0.195 62.989 63.200 -0.027 0.000 0.908 330 S HN 0.250 nan 8.310 nan 0.000 0.493 331 D N 1.429 121.819 120.400 -0.017 0.000 2.470 331 D HA 0.260 4.898 4.640 -0.002 0.000 0.233 331 D C -2.264 174.025 176.300 -0.018 0.000 1.372 331 D CA -1.733 52.260 54.000 -0.012 0.000 0.994 331 D CB 2.106 42.903 40.800 -0.005 0.000 1.377 331 D HN -0.024 nan 8.370 nan 0.000 0.586 332 P HA -0.119 nan 4.420 nan 0.000 0.226 332 P C 0.957 178.249 177.300 -0.013 0.000 1.146 332 P CA 0.597 63.687 63.100 -0.016 0.000 0.773 332 P CB 0.492 32.185 31.700 -0.011 0.000 0.772 333 R N -1.300 119.193 120.500 -0.011 0.000 2.210 333 R HA 0.096 4.434 4.340 -0.002 0.000 0.203 333 R C 0.700 176.993 176.300 -0.012 0.000 1.010 333 R CA 0.033 56.127 56.100 -0.010 0.000 1.008 333 R CB -0.128 30.167 30.300 -0.008 0.000 0.923 333 R HN 0.236 nan 8.270 nan 0.000 0.469 334 N N 0.786 119.476 118.700 -0.017 0.000 2.530 334 N HA 0.225 4.963 4.740 -0.002 0.000 0.277 334 N C -0.878 174.610 175.510 -0.036 0.000 1.168 334 N CA 0.129 53.164 53.050 -0.024 0.000 0.979 334 N CB 1.560 40.033 38.487 -0.023 0.000 1.141 334 N HN 0.065 nan 8.380 nan 0.000 0.459 335 A N 1.967 124.764 122.820 -0.039 0.000 2.319 335 A HA 0.463 4.782 4.320 -0.002 0.000 0.310 335 A C -0.564 176.965 177.584 -0.092 0.000 1.152 335 A CA -0.663 51.352 52.037 -0.035 0.000 0.783 335 A CB 0.670 19.703 19.000 0.055 0.000 1.184 335 A HN 0.647 nan 8.150 nan 0.000 0.474 336 L N 3.689 124.798 121.223 -0.191 0.000 2.275 336 L HA 0.611 4.950 4.340 -0.002 0.000 0.288 336 L C -1.149 175.541 176.870 -0.300 0.000 1.046 336 L CA -0.571 54.098 54.840 -0.284 0.000 0.805 336 L CB 1.403 43.231 42.059 -0.385 0.000 1.193 336 L HN 0.467 nan 8.230 nan 0.000 0.426 337 V N 5.005 124.764 119.914 -0.258 0.000 2.444 337 V HA 0.336 4.454 4.120 -0.002 0.000 0.294 337 V C -0.539 175.456 176.094 -0.164 0.000 1.022 337 V CA -0.547 61.679 62.300 -0.124 0.000 0.850 337 V CB 1.560 33.390 31.823 0.012 0.000 0.992 337 V HN 0.410 nan 8.190 nan 0.000 0.426 338 F N 4.387 124.366 119.950 0.048 0.000 2.404 338 F HA 0.360 4.886 4.527 -0.002 0.000 0.358 338 F C 0.960 176.770 175.800 0.017 0.000 1.120 338 F CA -0.718 57.293 58.000 0.019 0.000 1.144 338 F CB 1.648 40.667 39.000 0.033 0.000 1.133 338 F HN 0.394 nan 8.300 nan 0.000 0.495 339 V N 1.060 121.062 119.914 0.148 0.000 3.342 339 V HA 0.664 4.783 4.120 -0.002 0.000 0.322 339 V C 0.567 176.758 176.094 0.162 0.000 1.370 339 V CA 0.107 62.389 62.300 -0.031 0.000 1.170 339 V CB -0.420 31.227 31.823 -0.294 0.000 1.101 339 V HN 0.744 nan 8.190 nan 0.000 0.442 340 G N -0.985 107.954 108.800 0.232 0.000 2.732 340 G HA2 0.417 4.376 3.960 -0.002 0.000 0.296 340 G HA3 0.417 4.376 3.960 -0.002 0.000 0.296 340 G C -1.542 173.512 174.900 0.257 0.000 1.448 340 G CA -0.868 44.410 45.100 0.296 0.000 0.911 340 G HN 0.217 nan 8.290 nan 0.000 0.528 341 Y N 1.824 122.248 120.300 0.207 0.000 2.729 341 Y HA 0.262 4.811 4.550 -0.002 0.000 0.331 341 Y C 0.247 176.200 175.900 0.089 0.000 1.208 341 Y CA 0.292 58.494 58.100 0.170 0.000 1.521 341 Y CB 0.684 39.319 38.460 0.292 0.000 1.233 341 Y HN 0.317 nan 8.280 nan 0.000 0.539 342 Q N 9.214 128.626 119.800 -0.647 0.000 2.303 342 Q HA 0.289 4.628 4.340 -0.002 0.000 0.257 342 Q C -2.381 173.126 176.000 -0.823 0.000 0.941 342 Q CA -2.093 53.344 55.803 -0.610 0.000 0.931 342 Q CB 1.354 29.663 28.738 -0.715 0.000 1.215 342 Q HN 0.576 nan 8.270 nan 0.000 0.437 343 P HA -0.017 nan 4.420 nan 0.000 0.267 343 P C -0.399 176.806 177.300 -0.160 0.000 1.205 343 P CA -0.021 62.985 63.100 -0.157 0.000 0.765 343 P CB 0.880 32.631 31.700 0.084 0.000 0.828 344 Q N 1.553 121.292 119.800 -0.101 0.000 2.354 344 Q HA 0.383 4.722 4.340 -0.002 0.000 0.244 344 Q C 0.998 176.982 176.000 -0.026 0.000 0.969 344 Q CA 0.616 56.377 55.803 -0.071 0.000 0.885 344 Q CB 0.081 28.797 28.738 -0.035 0.000 1.241 344 Q HN 0.827 nan 8.270 nan 0.000 0.461 345 G N 1.137 109.922 108.800 -0.024 0.000 2.130 345 G HA2 -0.139 3.819 3.960 -0.002 0.000 0.216 345 G HA3 -0.139 3.819 3.960 -0.002 0.000 0.216 345 G C -0.056 174.839 174.900 -0.008 0.000 0.999 345 G CA -0.161 44.934 45.100 -0.008 0.000 0.686 345 G HN 0.964 nan 8.290 nan 0.000 0.515 346 G N -1.798 106.989 108.800 -0.022 0.000 2.921 346 G HA2 0.659 4.618 3.960 -0.002 0.000 0.291 346 G HA3 0.659 4.618 3.960 -0.002 0.000 0.291 346 G C 0.627 175.516 174.900 -0.017 0.000 1.370 346 G CA -0.013 45.078 45.100 -0.015 0.000 0.847 346 G HN 0.926 nan 8.290 nan 0.000 0.532 347 L N 0.772 121.994 121.223 -0.001 0.000 2.450 347 L HA 0.185 4.524 4.340 -0.002 0.000 0.224 347 L C 2.270 179.155 176.870 0.026 0.000 1.149 347 L CA 2.539 57.391 54.840 0.019 0.000 0.816 347 L CB -0.565 41.517 42.059 0.037 0.000 0.932 347 L HN 0.614 nan 8.230 nan 0.000 0.449 348 G N -1.297 107.474 108.800 -0.048 0.000 2.417 348 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.212 348 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.212 348 G C 1.496 176.301 174.900 -0.158 0.000 1.187 348 G CA 0.452 45.451 45.100 -0.168 0.000 0.804 348 G HN 0.510 nan 8.290 nan 0.000 0.534 349 A N 0.402 123.137 122.820 -0.141 0.000 2.016 349 A HA 0.140 4.459 4.320 -0.002 0.000 0.217 349 A C 2.051 179.618 177.584 -0.029 0.000 1.162 349 A CA 1.743 53.722 52.037 -0.096 0.000 0.662 349 A CB -0.274 18.669 19.000 -0.096 0.000 0.812 349 A HN 0.456 nan 8.150 nan 0.000 0.450 350 E N -0.067 120.124 120.200 -0.014 0.000 2.106 350 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 350 E C 1.655 178.269 176.600 0.024 0.000 0.984 350 E CA 1.021 57.424 56.400 0.005 0.000 0.806 350 E CB -0.136 29.567 29.700 0.006 0.000 0.750 350 E HN 0.674 nan 8.360 nan 0.000 0.458 351 I N 0.563 121.164 120.570 0.051 0.000 2.716 351 I HA -0.140 4.028 4.170 -0.002 0.000 0.259 351 I C 1.996 178.165 176.117 0.087 0.000 1.172 351 I CA 0.462 61.808 61.300 0.077 0.000 1.478 351 I CB 0.064 38.146 38.000 0.137 0.000 1.104 351 I HN 0.166 nan 8.210 nan 0.000 0.439 352 I N 0.806 121.433 120.570 0.095 0.000 2.761 352 I HA -0.125 4.043 4.170 -0.002 0.000 0.261 352 I C 2.686 178.830 176.117 0.045 0.000 1.198 352 I CA 0.604 61.958 61.300 0.090 0.000 1.482 352 I CB -0.305 37.735 38.000 0.067 0.000 1.100 352 I HN 0.115 nan 8.210 nan 0.000 0.445 353 A N 0.703 123.539 122.820 0.028 0.000 2.076 353 A HA -0.217 4.102 4.320 -0.002 0.000 0.220 353 A C 1.622 179.217 177.584 0.017 0.000 1.160 353 A CA 1.086 53.134 52.037 0.018 0.000 0.653 353 A CB -0.313 18.694 19.000 0.011 0.000 0.801 353 A HN 0.466 nan 8.150 nan 0.000 0.455 354 R N -1.821 118.690 120.500 0.018 0.000 3.532 354 R HA -0.105 4.233 4.340 -0.002 0.000 0.284 354 R C -2.173 174.130 176.300 0.005 0.000 1.140 354 R CA 0.783 56.889 56.100 0.010 0.000 0.768 354 R CB -2.635 27.671 30.300 0.010 0.000 1.252 354 R HN 0.543 nan 8.270 nan 0.000 0.454 355 P HA 0.169 nan 4.420 nan 0.000 0.282 355 P C -1.652 175.647 177.300 -0.002 0.000 1.286 355 P CA -0.781 62.320 63.100 0.002 0.000 0.777 355 P CB 0.325 32.026 31.700 0.002 0.000 1.184 356 P HA -0.056 nan 4.420 nan 0.000 0.213 356 P C 0.285 177.579 177.300 -0.010 0.000 1.170 356 P CA 1.564 64.660 63.100 -0.007 0.000 0.898 356 P CB -0.079 31.617 31.700 -0.006 0.000 0.787 357 A N -1.122 121.692 122.820 -0.010 0.000 2.549 357 A HA 0.585 4.903 4.320 -0.002 0.000 0.297 357 A C -0.984 176.593 177.584 -0.012 0.000 1.061 357 A CA -0.546 51.482 52.037 -0.014 0.000 0.690 357 A CB 1.792 20.781 19.000 -0.018 0.000 1.287 357 A HN -0.088 nan 8.150 nan 0.000 0.402 358 V N 1.016 120.923 119.914 -0.013 0.000 2.769 358 V HA 0.574 4.693 4.120 -0.002 0.000 0.312 358 V C 0.423 176.508 176.094 -0.015 0.000 1.058 358 V CA -0.788 61.508 62.300 -0.008 0.000 0.952 358 V CB 1.803 33.627 31.823 0.001 0.000 1.019 358 V HN 0.934 nan 8.190 nan 0.000 0.445 359 R N 2.588 123.082 120.500 -0.010 0.000 2.254 359 R HA 0.706 5.045 4.340 -0.002 0.000 0.318 359 R C -1.327 174.966 176.300 -0.011 0.000 1.031 359 R CA -0.242 55.849 56.100 -0.014 0.000 0.905 359 R CB 0.562 30.856 30.300 -0.010 0.000 1.050 359 R HN 0.700 nan 8.270 nan 0.000 0.456 360 I N 6.103 126.660 120.570 -0.022 0.000 2.571 360 I HA 0.140 4.309 4.170 -0.002 0.000 0.286 360 I C -0.412 175.689 176.117 -0.026 0.000 1.134 360 I CA -0.809 60.483 61.300 -0.014 0.000 1.052 360 I CB 1.924 39.914 38.000 -0.017 0.000 1.237 360 I HN 0.706 nan 8.210 nan 0.000 0.435 361 L N 6.454 127.676 121.223 -0.001 0.000 3.601 361 L HA -0.217 4.122 4.340 -0.002 0.000 0.469 361 L C 1.131 177.982 176.870 -0.032 0.000 1.294 361 L CA 0.841 55.677 54.840 -0.006 0.000 0.829 361 L CB -1.538 40.510 42.059 -0.019 0.000 1.628 361 L HN 1.140 nan 8.230 nan 0.000 0.868 362 G N -0.385 108.402 108.800 -0.021 0.000 2.283 362 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.280 362 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.280 362 G C 0.021 174.897 174.900 -0.039 0.000 1.029 362 G CA 0.856 45.941 45.100 -0.025 0.000 0.840 362 G HN 0.618 nan 8.290 nan 0.000 0.505 363 E N -0.966 119.204 120.200 -0.048 0.000 2.291 363 E HA 0.514 4.862 4.350 -0.002 0.000 0.276 363 E C -0.703 175.863 176.600 -0.056 0.000 0.896 363 E CA -0.766 55.596 56.400 -0.063 0.000 0.774 363 E CB 1.084 30.722 29.700 -0.103 0.000 1.227 363 E HN 0.126 nan 8.360 nan 0.000 0.413 364 E N 3.154 123.326 120.200 -0.047 0.000 1.893 364 E HA 0.217 4.565 4.350 -0.002 0.000 0.269 364 E C -0.728 175.843 176.600 -0.049 0.000 1.129 364 E CA -0.469 55.908 56.400 -0.039 0.000 0.904 364 E CB 0.265 29.948 29.700 -0.028 0.000 1.077 364 E HN 0.344 nan 8.360 nan 0.000 0.407 365 V N 2.751 122.630 119.914 -0.057 0.000 2.583 365 V HA 0.561 4.679 4.120 -0.002 0.000 0.287 365 V C -2.269 173.797 176.094 -0.046 0.000 1.051 365 V CA -2.277 59.983 62.300 -0.067 0.000 1.010 365 V CB 1.014 32.784 31.823 -0.088 0.000 0.988 365 V HN 0.468 nan 8.190 nan 0.000 0.478 366 P HA 0.279 nan 4.420 nan 0.000 0.276 366 P C -0.692 176.589 177.300 -0.032 0.000 1.235 366 P CA -0.273 62.808 63.100 -0.031 0.000 0.772 366 P CB 0.781 32.465 31.700 -0.028 0.000 0.871 367 L N 5.019 126.226 121.223 -0.027 0.000 2.352 367 L HA 0.272 4.610 4.340 -0.002 0.000 0.272 367 L C 0.762 177.614 176.870 -0.029 0.000 1.109 367 L CA 0.555 55.378 54.840 -0.029 0.000 0.952 367 L CB -0.605 41.441 42.059 -0.023 0.000 1.314 367 L HN 0.278 nan 8.230 nan 0.000 0.427 368 R N 2.627 123.107 120.500 -0.032 0.000 2.316 368 R HA 0.420 4.758 4.340 -0.002 0.000 0.201 368 R C 0.720 176.997 176.300 -0.039 0.000 0.888 368 R CA 0.254 56.337 56.100 -0.030 0.000 1.041 368 R CB 0.411 30.697 30.300 -0.023 0.000 1.115 368 R HN 0.628 nan 8.270 nan 0.000 0.559 369 A N 1.954 124.743 122.820 -0.050 0.000 2.466 369 A HA 0.160 4.479 4.320 -0.002 0.000 0.238 369 A C 0.438 177.961 177.584 -0.102 0.000 1.074 369 A CA -0.062 51.935 52.037 -0.068 0.000 0.774 369 A CB 0.282 19.236 19.000 -0.076 0.000 1.015 369 A HN 0.308 nan 8.150 nan 0.000 0.498 370 S N 0.635 116.260 115.700 -0.125 0.000 2.537 370 S HA 0.556 5.025 4.470 -0.002 0.000 0.275 370 S C -0.264 174.058 174.600 -0.464 0.000 1.272 370 S CA -0.673 57.395 58.200 -0.219 0.000 1.050 370 S CB 0.953 64.090 63.200 -0.105 0.000 0.961 370 S HN 0.736 nan 8.310 nan 0.000 0.496 371 V N 4.087 123.671 119.914 -0.548 0.000 2.667 371 V HA 0.584 4.703 4.120 -0.002 0.000 0.308 371 V C -0.513 175.136 176.094 -0.742 0.000 1.048 371 V CA -0.690 61.271 62.300 -0.565 0.000 0.928 371 V CB 1.464 33.151 31.823 -0.227 0.000 1.004 371 V HN 0.976 nan 8.190 nan 0.000 0.444 372 H N 0.941 119.996 119.070 -0.025 0.000 2.974 372 H HA 0.472 5.026 4.556 -0.002 0.000 0.366 372 H C -1.058 174.372 175.328 0.170 0.000 1.155 372 H CA -0.598 55.487 56.048 0.061 0.000 1.186 372 H CB 2.255 32.034 29.762 0.029 0.000 1.799 372 H HN 0.547 nan 8.280 nan 0.000 0.541 373 T N 3.739 118.496 114.554 0.339 0.000 2.791 373 T HA 0.371 4.719 4.350 -0.002 0.000 0.288 373 T C 0.592 175.470 174.700 0.297 0.000 0.999 373 T CA -0.684 61.630 62.100 0.356 0.000 0.952 373 T CB 0.504 69.538 68.868 0.276 0.000 0.938 373 T HN 0.277 nan 8.240 nan 0.000 0.444 374 L N 3.171 124.590 121.223 0.327 0.000 2.360 374 L HA 0.395 4.733 4.340 -0.002 0.000 0.265 374 L C 1.608 178.704 176.870 0.377 0.000 1.066 374 L CA -0.728 54.328 54.840 0.361 0.000 0.929 374 L CB 0.608 42.962 42.059 0.493 0.000 1.306 374 L HN 0.877 nan 8.230 nan 0.000 0.434 375 G N 1.041 110.005 108.800 0.273 0.000 2.708 375 G HA2 -0.100 3.858 3.960 -0.002 0.000 0.210 375 G HA3 -0.100 3.858 3.960 -0.002 0.000 0.210 375 G C 1.300 176.271 174.900 0.118 0.000 1.141 375 G CA 0.596 45.830 45.100 0.224 0.000 0.788 375 G HN 0.729 nan 8.290 nan 0.000 0.531 376 G N 0.147 109.022 108.800 0.124 0.000 2.650 376 G HA2 0.029 3.988 3.960 -0.002 0.000 0.214 376 G HA3 0.029 3.988 3.960 -0.002 0.000 0.214 376 G C 0.856 175.680 174.900 -0.127 0.000 1.136 376 G CA -0.117 44.958 45.100 -0.042 0.000 0.789 376 G HN 0.371 nan 8.290 nan 0.000 0.536 377 F N 1.258 121.236 119.950 0.047 0.000 2.664 377 F HA 0.368 4.893 4.527 -0.003 0.000 0.301 377 F C 1.487 177.287 175.800 0.000 0.000 1.126 377 F CA -0.660 57.386 58.000 0.077 0.000 1.373 377 F CB 0.148 39.187 39.000 0.066 0.000 1.042 377 F HN -0.073 nan 8.300 nan 0.000 0.535 378 S N 0.172 115.848 115.700 -0.040 0.000 2.549 378 S HA 0.283 4.752 4.470 -0.002 0.000 0.283 378 S C 1.503 176.021 174.600 -0.137 0.000 1.320 378 S CA 0.113 58.203 58.200 -0.183 0.000 1.058 378 S CB 0.893 63.638 63.200 -0.759 0.000 0.882 378 S HN 0.490 nan 8.310 nan 0.000 0.498 379 G N 3.498 112.240 108.800 -0.097 0.000 2.880 379 G HA2 0.072 4.031 3.960 -0.002 0.000 0.209 379 G HA3 0.072 4.031 3.960 -0.002 0.000 0.209 379 G C 0.481 175.351 174.900 -0.050 0.000 1.157 379 G CA 0.108 45.119 45.100 -0.147 0.000 0.779 379 G HN 0.741 nan 8.290 nan 0.000 0.539 380 H N -0.092 119.039 119.070 0.102 0.000 2.496 380 H HA 0.600 5.155 4.556 -0.002 0.000 0.342 380 H C 0.250 175.634 175.328 0.094 0.000 1.170 380 H CA -0.304 55.793 56.048 0.081 0.000 1.274 380 H CB 1.669 31.485 29.762 0.091 0.000 1.538 380 H HN 0.143 nan 8.280 nan 0.000 0.542 381 A N 0.986 123.915 122.820 0.181 0.000 2.287 381 A HA 0.544 4.863 4.320 -0.002 0.000 0.273 381 A C 0.698 178.304 177.584 0.035 0.000 1.091 381 A CA 0.134 52.230 52.037 0.098 0.000 0.817 381 A CB 0.218 19.204 19.000 -0.024 0.000 1.069 381 A HN 0.735 nan 8.150 nan 0.000 0.492 382 G N -1.394 107.323 108.800 -0.139 0.000 2.434 382 G HA2 0.413 4.372 3.960 -0.002 0.000 0.330 382 G HA3 0.413 4.372 3.960 -0.002 0.000 0.330 382 G C 0.533 175.371 174.900 -0.104 0.000 1.155 382 G CA 0.096 44.995 45.100 -0.336 0.000 0.917 382 G HN 0.900 nan 8.290 nan 0.000 0.493 383 Q N -0.009 119.760 119.800 -0.051 0.000 2.165 383 Q HA -0.314 4.025 4.340 -0.002 0.000 0.215 383 Q C 2.023 178.020 176.000 -0.004 0.000 1.010 383 Q CA 2.846 58.646 55.803 -0.006 0.000 0.896 383 Q CB -0.157 28.584 28.738 0.003 0.000 0.956 383 Q HN 0.764 nan 8.270 nan 0.000 0.413 384 D N -0.332 120.057 120.400 -0.018 0.000 2.123 384 D HA -0.216 4.423 4.640 -0.002 0.000 0.196 384 D C 1.287 177.596 176.300 0.016 0.000 0.992 384 D CA 1.784 55.785 54.000 0.001 0.000 0.833 384 D CB -0.714 40.085 40.800 -0.003 0.000 0.954 384 D HN 0.514 nan 8.370 nan 0.000 0.455 385 E N -0.654 119.550 120.200 0.006 0.000 2.347 385 E HA -0.028 4.321 4.350 -0.002 0.000 0.196 385 E C 1.704 178.337 176.600 0.056 0.000 1.008 385 E CA 0.122 56.539 56.400 0.029 0.000 0.852 385 E CB 0.090 29.794 29.700 0.007 0.000 0.783 385 E HN 0.211 nan 8.360 nan 0.000 0.505 386 L N -0.344 120.904 121.223 0.042 0.000 2.249 386 L HA -0.020 4.318 4.340 -0.002 0.000 0.207 386 L C 1.883 178.820 176.870 0.113 0.000 1.090 386 L CA 1.004 55.886 54.840 0.070 0.000 0.802 386 L CB -0.109 41.968 42.059 0.031 0.000 0.947 386 L HN 0.116 nan 8.230 nan 0.000 0.453 387 L N -0.698 120.568 121.223 0.072 0.000 2.478 387 L HA -0.065 4.273 4.340 -0.002 0.000 0.223 387 L C 1.413 178.320 176.870 0.062 0.000 1.140 387 L CA 0.422 55.298 54.840 0.059 0.000 0.842 387 L CB -0.342 41.738 42.059 0.035 0.000 0.953 387 L HN 0.225 nan 8.230 nan 0.000 0.452 388 D N -1.257 119.194 120.400 0.085 0.000 2.277 388 D HA -0.111 4.527 4.640 -0.002 0.000 0.209 388 D C 1.704 178.064 176.300 0.099 0.000 0.970 388 D CA 0.482 54.526 54.000 0.073 0.000 0.874 388 D CB 0.035 40.878 40.800 0.071 0.000 0.982 388 D HN 0.253 nan 8.370 nan 0.000 0.504 389 W N 0.967 122.234 121.300 -0.055 0.000 2.408 389 W HA -0.074 4.584 4.660 -0.002 0.000 0.311 389 W C 1.630 178.094 176.519 -0.092 0.000 1.190 389 W CA 0.723 58.014 57.345 -0.089 0.000 1.321 389 W CB -0.300 29.094 29.460 -0.110 0.000 1.143 389 W HN -0.131 nan 8.180 nan 0.000 0.501 390 L N 0.942 122.269 121.223 0.174 0.000 2.362 390 L HA -0.085 4.254 4.340 -0.002 0.000 0.219 390 L C 1.443 178.288 176.870 -0.042 0.000 1.134 390 L CA 1.227 56.093 54.840 0.043 0.000 0.807 390 L CB -1.840 40.289 42.059 0.117 0.000 0.927 390 L HN -0.014 nan 8.230 nan 0.000 0.447 391 Q N 0.815 120.599 119.800 -0.027 0.000 2.618 391 Q HA -0.018 4.321 4.340 -0.002 0.000 0.344 391 Q C 1.321 177.279 176.000 -0.070 0.000 1.073 391 Q CA 1.294 57.075 55.803 -0.037 0.000 1.105 391 Q CB -0.041 28.680 28.738 -0.029 0.000 1.028 391 Q HN 0.560 nan 8.270 nan 0.000 0.397 392 G N 4.074 112.844 108.800 -0.050 0.000 2.225 392 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.254 392 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.254 392 G C -0.252 174.613 174.900 -0.059 0.000 0.988 392 G CA 0.244 45.311 45.100 -0.055 0.000 0.625 392 G HN 0.598 nan 8.290 nan 0.000 0.527 393 E N 1.335 121.496 120.200 -0.066 0.000 2.290 393 E HA 0.261 4.610 4.350 -0.002 0.000 0.277 393 E C -0.975 175.606 176.600 -0.031 0.000 1.035 393 E CA -1.347 55.018 56.400 -0.059 0.000 0.873 393 E CB 1.615 31.272 29.700 -0.071 0.000 1.029 393 E HN 0.296 nan 8.360 nan 0.000 0.419 394 P HA -0.120 nan 4.420 nan 0.000 0.218 394 P C 0.218 177.513 177.300 -0.009 0.000 1.149 394 P CA 0.989 64.080 63.100 -0.015 0.000 0.817 394 P CB 0.774 32.465 31.700 -0.015 0.000 0.785 395 R N -0.077 120.419 120.500 -0.006 0.000 2.539 395 R HA 0.444 4.783 4.340 -0.002 0.000 0.295 395 R C -1.551 174.753 176.300 0.007 0.000 1.138 395 R CA -0.450 55.650 56.100 -0.000 0.000 0.936 395 R CB 1.840 32.139 30.300 -0.002 0.000 1.182 395 R HN -0.202 nan 8.270 nan 0.000 0.459 396 V N 4.291 124.213 119.914 0.013 0.000 2.547 396 V HA 0.488 4.607 4.120 -0.002 0.000 0.299 396 V C -0.283 175.822 176.094 0.019 0.000 1.040 396 V CA -0.735 61.580 62.300 0.026 0.000 0.913 396 V CB 2.002 33.847 31.823 0.037 0.000 0.992 396 V HN 0.408 nan 8.190 nan 0.000 0.449 397 V N 5.498 125.424 119.914 0.021 0.000 2.380 397 V HA 0.351 4.470 4.120 -0.002 0.000 0.286 397 V C -0.268 175.832 176.094 0.009 0.000 1.015 397 V CA -0.599 61.704 62.300 0.004 0.000 0.834 397 V CB 1.427 33.239 31.823 -0.019 0.000 1.009 397 V HN 0.534 nan 8.190 nan 0.000 0.428 398 L N 5.923 127.154 121.223 0.014 0.000 2.452 398 L HA 0.646 4.985 4.340 -0.002 0.000 0.267 398 L C 0.291 177.174 176.870 0.022 0.000 1.188 398 L CA 0.570 55.424 54.840 0.023 0.000 0.821 398 L CB 1.181 43.253 42.059 0.022 0.000 1.102 398 L HN 0.646 nan 8.230 nan 0.000 0.470 399 V N -1.540 118.399 119.914 0.042 0.000 3.258 399 V HA 0.570 4.689 4.120 -0.002 0.000 0.298 399 V C -0.188 175.956 176.094 0.084 0.000 1.489 399 V CA -1.319 61.023 62.300 0.070 0.000 1.062 399 V CB 1.647 33.516 31.823 0.076 0.000 1.116 399 V HN 0.347 nan 8.190 nan 0.000 0.464 400 V N 0.484 120.463 119.914 0.108 0.000 5.574 400 V HA 0.278 4.396 4.120 -0.002 0.000 0.296 400 V C 0.676 176.778 176.094 0.012 0.000 0.678 400 V CA 1.688 64.034 62.300 0.076 0.000 1.093 400 V CB -1.785 30.107 31.823 0.114 0.000 1.279 400 V HN 2.577 nan 8.190 nan 0.000 0.446 401 G N 3.242 112.041 108.800 -0.001 0.000 2.321 401 G HA2 0.457 4.416 3.960 -0.002 0.000 0.298 401 G HA3 0.457 4.416 3.960 -0.002 0.000 0.298 401 G C -1.207 173.674 174.900 -0.032 0.000 1.385 401 G CA -0.643 44.429 45.100 -0.046 0.000 0.856 401 G HN 0.506 nan 8.290 nan 0.000 0.584 402 E N 0.400 120.564 120.200 -0.059 0.000 2.229 402 E HA 0.238 4.586 4.350 -0.002 0.000 0.283 402 E C 0.745 177.329 176.600 -0.026 0.000 1.030 402 E CA -0.432 55.944 56.400 -0.039 0.000 0.836 402 E CB 2.135 31.801 29.700 -0.057 0.000 1.068 402 E HN 0.591 nan 8.360 nan 0.000 0.401 403 E N 2.359 122.553 120.200 -0.009 0.000 2.200 403 E HA -0.337 4.012 4.350 -0.002 0.000 0.211 403 E C 1.151 177.744 176.600 -0.011 0.000 1.048 403 E CA 1.831 58.229 56.400 -0.004 0.000 0.851 403 E CB 0.137 29.837 29.700 0.001 0.000 0.747 403 E HN 0.444 nan 8.360 nan 0.000 0.462 404 E N 0.651 120.841 120.200 -0.016 0.000 2.012 404 E HA -0.196 4.152 4.350 -0.002 0.000 0.197 404 E C 1.968 178.553 176.600 -0.025 0.000 1.007 404 E CA 1.246 57.635 56.400 -0.018 0.000 0.816 404 E CB -0.119 29.569 29.700 -0.020 0.000 0.762 404 E HN 0.079 nan 8.360 nan 0.000 0.451 405 K N 0.265 120.640 120.400 -0.043 0.000 2.020 405 K HA -0.174 4.145 4.320 -0.002 0.000 0.212 405 K C 2.180 178.760 176.600 -0.033 0.000 1.050 405 K CA 0.996 57.250 56.287 -0.055 0.000 0.929 405 K CB -0.803 31.637 32.500 -0.101 0.000 0.714 405 K HN 0.077 nan 8.250 nan 0.000 0.443 406 L N 1.055 122.262 121.223 -0.026 0.000 1.971 406 L HA -0.203 4.136 4.340 -0.002 0.000 0.215 406 L C 2.390 179.258 176.870 -0.004 0.000 1.072 406 L CA 1.478 56.312 54.840 -0.010 0.000 0.758 406 L CB -0.934 41.124 42.059 -0.002 0.000 0.889 406 L HN 0.115 nan 8.230 nan 0.000 0.433 407 L N -0.966 120.255 121.223 -0.004 0.000 2.127 407 L HA -0.181 4.158 4.340 -0.002 0.000 0.211 407 L C 2.648 179.518 176.870 -0.001 0.000 1.089 407 L CA 1.937 56.777 54.840 -0.000 0.000 0.757 407 L CB -1.991 40.067 42.059 -0.001 0.000 0.899 407 L HN 0.330 nan 8.230 nan 0.000 0.434 408 A N -0.254 122.563 122.820 -0.005 0.000 1.845 408 A HA -0.223 4.096 4.320 -0.002 0.000 0.215 408 A C 2.411 179.996 177.584 0.001 0.000 1.195 408 A CA 1.693 53.728 52.037 -0.003 0.000 0.616 408 A CB -0.840 18.155 19.000 -0.009 0.000 0.832 408 A HN 0.367 nan 8.150 nan 0.000 0.443 409 L N -0.586 120.637 121.223 -0.000 0.000 2.042 409 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 409 L C 2.590 179.466 176.870 0.010 0.000 1.076 409 L CA 1.601 56.445 54.840 0.007 0.000 0.749 409 L CB -0.758 41.306 42.059 0.007 0.000 0.893 409 L HN 0.475 nan 8.230 nan 0.000 0.432 410 G N -0.338 108.467 108.800 0.008 0.000 2.469 410 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.219 410 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.219 410 G C 1.638 176.543 174.900 0.008 0.000 1.150 410 G CA 1.114 46.219 45.100 0.009 0.000 0.763 410 G HN 0.374 nan 8.290 nan 0.000 0.561 411 K N -0.138 120.266 120.400 0.007 0.000 2.057 411 K HA 0.037 4.356 4.320 -0.002 0.000 0.207 411 K C 2.543 179.147 176.600 0.007 0.000 1.049 411 K CA 0.859 57.150 56.287 0.006 0.000 0.931 411 K CB -0.262 32.241 32.500 0.005 0.000 0.714 411 K HN 0.349 nan 8.250 nan 0.000 0.440 412 L N 0.853 122.081 121.223 0.009 0.000 2.017 412 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 412 L C 2.398 179.275 176.870 0.011 0.000 1.073 412 L CA 1.227 56.073 54.840 0.010 0.000 0.745 412 L CB -0.408 41.658 42.059 0.012 0.000 0.894 412 L HN 0.246 nan 8.230 nan 0.000 0.432 413 L N -0.664 120.567 121.223 0.013 0.000 2.017 413 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 413 L C 2.918 179.794 176.870 0.009 0.000 1.073 413 L CA 1.208 56.056 54.840 0.013 0.000 0.745 413 L CB -0.919 41.150 42.059 0.017 0.000 0.894 413 L HN 0.262 nan 8.230 nan 0.000 0.432 414 A N 0.523 123.348 122.820 0.008 0.000 1.927 414 A HA -0.237 4.082 4.320 -0.002 0.000 0.220 414 A C 2.246 179.832 177.584 0.004 0.000 1.185 414 A CA 1.868 53.908 52.037 0.005 0.000 0.639 414 A CB -0.951 18.052 19.000 0.005 0.000 0.820 414 A HN 0.415 nan 8.150 nan 0.000 0.451 415 L N -1.794 119.432 121.223 0.005 0.000 2.191 415 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 415 L C 2.609 179.481 176.870 0.004 0.000 1.103 415 L CA 1.281 56.124 54.840 0.005 0.000 0.769 415 L CB -0.344 41.718 42.059 0.006 0.000 0.908 415 L HN 0.331 nan 8.230 nan 0.000 0.438 416 R N -0.444 120.058 120.500 0.004 0.000 2.310 416 R HA 0.066 4.404 4.340 -0.002 0.000 0.202 416 R C 1.315 177.615 176.300 -0.000 0.000 0.933 416 R CA 0.611 56.712 56.100 0.002 0.000 1.054 416 R CB 0.275 30.577 30.300 0.003 0.000 0.985 416 R HN 0.427 nan 8.270 nan 0.000 0.489 417 G N 0.055 108.855 108.800 0.000 0.000 2.194 417 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.236 417 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.236 417 G C -0.103 174.795 174.900 -0.002 0.000 0.987 417 G CA -0.372 44.727 45.100 -0.002 0.000 0.635 417 G HN 0.355 nan 8.290 nan 0.000 0.520 418 Q N 0.658 120.457 119.800 -0.001 0.000 2.304 418 Q HA 0.375 4.714 4.340 -0.002 0.000 0.260 418 Q C 0.117 176.118 176.000 0.001 0.000 0.965 418 Q CA -0.069 55.734 55.803 -0.001 0.000 0.898 418 Q CB 1.000 29.739 28.738 0.002 0.000 1.196 418 Q HN 0.474 nan 8.270 nan 0.000 0.402 419 E N 2.974 123.174 120.200 0.000 0.000 1.932 419 E HA 0.141 4.489 4.350 -0.002 0.000 0.275 419 E C -1.002 175.600 176.600 0.003 0.000 1.159 419 E CA -0.269 56.132 56.400 0.001 0.000 0.905 419 E CB 0.607 30.306 29.700 -0.001 0.000 1.059 419 E HN 0.306 nan 8.360 nan 0.000 0.400 420 V N 3.687 123.604 119.914 0.005 0.000 3.109 420 V HA 0.682 4.801 4.120 -0.002 0.000 0.317 420 V C -0.699 175.398 176.094 0.005 0.000 1.074 420 V CA 0.293 62.597 62.300 0.007 0.000 1.033 420 V CB 1.826 33.655 31.823 0.010 0.000 1.111 420 V HN 0.816 nan 8.190 nan 0.000 0.458 421 S N 3.724 119.427 115.700 0.005 0.000 2.675 421 S HA 0.435 4.904 4.470 -0.002 0.000 0.297 421 S C -1.819 172.783 174.600 0.003 0.000 1.035 421 S CA -0.814 57.388 58.200 0.003 0.000 0.852 421 S CB 0.593 63.792 63.200 -0.001 0.000 1.051 421 S HN 0.658 nan 8.310 nan 0.000 0.451 422 L N 2.788 124.014 121.223 0.005 0.000 2.275 422 L HA 0.786 5.125 4.340 -0.002 0.000 0.288 422 L C 1.014 177.888 176.870 0.006 0.000 1.046 422 L CA -0.041 54.803 54.840 0.008 0.000 0.805 422 L CB 0.968 43.035 42.059 0.013 0.000 1.193 422 L HN 1.067 nan 8.230 nan 0.000 0.426 423 A N 4.805 127.626 122.820 0.003 0.000 2.531 423 A HA 0.379 4.697 4.320 -0.002 0.000 0.236 423 A C 0.278 177.874 177.584 0.020 0.000 1.062 423 A CA -0.006 52.027 52.037 -0.007 0.000 0.760 423 A CB 0.011 18.996 19.000 -0.024 0.000 0.995 423 A HN 0.699 nan 8.150 nan 0.000 0.501 424 R N 1.222 121.726 120.500 0.006 0.000 2.437 424 R HA 0.264 4.603 4.340 -0.002 0.000 0.310 424 R C -0.902 175.422 176.300 0.042 0.000 0.955 424 R CA -0.571 55.556 56.100 0.044 0.000 0.851 424 R CB 1.457 31.775 30.300 0.030 0.000 1.161 424 R HN 0.729 nan 8.270 nan 0.000 0.446 425 F N 2.021 121.959 119.950 -0.019 0.000 2.604 425 F HA -0.058 4.467 4.527 -0.002 0.000 0.393 425 F C 1.410 177.157 175.800 -0.087 0.000 1.043 425 F CA 2.390 60.371 58.000 -0.032 0.000 1.227 425 F CB 0.455 39.475 39.000 0.034 0.000 1.016 425 F HN 0.926 nan 8.300 nan 0.000 0.556 426 G N 3.593 111.912 108.800 -0.802 0.000 2.304 426 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.252 426 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.252 426 G C 0.084 174.796 174.900 -0.313 0.000 1.014 426 G CA 0.259 45.033 45.100 -0.544 0.000 0.619 426 G HN 0.633 nan 8.290 nan 0.000 0.525 427 E N 1.604 121.673 120.200 -0.218 0.000 2.105 427 E HA 0.531 4.879 4.350 -0.002 0.000 0.285 427 E C 1.009 177.512 176.600 -0.162 0.000 1.055 427 E CA 0.709 57.030 56.400 -0.132 0.000 0.843 427 E CB 0.610 30.270 29.700 -0.066 0.000 1.067 427 E HN 0.589 nan 8.360 nan 0.000 0.398 428 G N 1.678 110.397 108.800 -0.135 0.000 2.636 428 G HA2 0.382 4.340 3.960 -0.002 0.000 0.246 428 G HA3 0.382 4.340 3.960 -0.002 0.000 0.246 428 G C -0.664 174.188 174.900 -0.080 0.000 1.216 428 G CA -0.401 44.629 45.100 -0.117 0.000 0.854 428 G HN 0.372 nan 8.290 nan 0.000 0.572 429 V N 2.467 122.338 119.914 -0.072 0.000 2.577 429 V HA 0.410 4.529 4.120 -0.002 0.000 0.303 429 V C -2.138 173.933 176.094 -0.038 0.000 1.042 429 V CA -1.559 60.710 62.300 -0.051 0.000 0.872 429 V CB 2.315 34.105 31.823 -0.055 0.000 0.998 429 V HN 0.729 nan 8.190 nan 0.000 0.423 430 P HA 0.293 nan 4.420 nan 0.000 0.275 430 P C -0.332 176.959 177.300 -0.014 0.000 1.227 430 P CA 0.084 63.173 63.100 -0.018 0.000 0.781 430 P CB 1.750 33.442 31.700 -0.014 0.000 0.906 431 V N 0.000 119.908 119.914 -0.010 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 431 V CB 0.000 31.826 31.823 0.005 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556