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 3iel_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 QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 3.060 123.548 120.500 -0.020 0.000 2.686 2 R HA 0.756 5.095 4.340 -0.002 0.000 0.283 2 R C -1.646 174.629 176.300 -0.042 0.000 0.978 2 R CA -0.875 55.207 56.100 -0.030 0.000 0.897 2 R CB 2.700 32.983 30.300 -0.029 0.000 1.192 2 R HN 0.642 nan 8.270 nan 0.000 0.457 3 I N 2.603 123.140 120.570 -0.056 0.000 2.406 3 I HA 0.313 4.481 4.170 -0.002 0.000 0.290 3 I C -1.165 174.887 176.117 -0.108 0.000 0.999 3 I CA -0.687 60.568 61.300 -0.076 0.000 1.124 3 I CB 1.979 39.929 38.000 -0.084 0.000 1.289 3 I HN 0.296 nan 8.210 nan 0.000 0.441 4 V N 9.716 129.555 119.914 -0.125 0.000 2.334 4 V HA 0.455 4.574 4.120 -0.002 0.000 0.281 4 V C -2.316 173.555 176.094 -0.371 0.000 1.016 4 V CA -1.707 60.431 62.300 -0.270 0.000 0.832 4 V CB 1.118 32.775 31.823 -0.277 0.000 0.999 4 V HN 0.647 nan 8.190 nan 0.000 0.439 5 P HA 0.258 nan 4.420 nan 0.000 0.271 5 P C -0.492 176.413 177.300 -0.658 0.000 1.226 5 P CA 0.172 63.172 63.100 -0.168 0.000 0.765 5 P CB 0.213 31.871 31.700 -0.070 0.000 0.835 6 F N 2.658 122.471 119.950 -0.228 0.000 2.810 6 F HA 0.530 5.056 4.527 -0.002 0.000 0.353 6 F C 0.961 176.810 175.800 0.081 0.000 1.227 6 F CA 0.057 57.846 58.000 -0.352 0.000 1.210 6 F CB 0.699 39.660 39.000 -0.065 0.000 1.039 6 F HN 0.421 nan 8.300 nan 0.000 0.509 7 G N -1.262 107.687 108.800 0.249 0.000 2.340 7 G HA2 0.504 4.463 3.960 -0.002 0.000 0.300 7 G HA3 0.504 4.463 3.960 -0.002 0.000 0.300 7 G C 0.020 175.041 174.900 0.201 0.000 1.488 7 G CA -0.086 45.200 45.100 0.311 0.000 0.878 7 G HN 0.747 nan 8.290 nan 0.000 0.618 8 A N -1.975 120.969 122.820 0.208 0.000 2.816 8 A HA 0.253 4.571 4.320 -0.002 0.000 0.270 8 A C 1.160 178.863 177.584 0.199 0.000 1.413 8 A CA 1.981 54.110 52.037 0.154 0.000 0.866 8 A CB -1.543 17.569 19.000 0.186 0.000 1.032 8 A HN 2.632 nan 8.150 nan 0.000 0.642 9 A N -0.220 122.736 122.820 0.227 0.000 2.269 9 A HA 0.611 4.930 4.320 -0.002 0.000 0.302 9 A C 1.284 178.939 177.584 0.120 0.000 1.266 9 A CA 0.252 52.396 52.037 0.179 0.000 0.894 9 A CB 0.174 19.304 19.000 0.218 0.000 1.147 9 A HN 1.268 nan 8.150 nan 0.000 0.537 10 R N -0.198 120.348 120.500 0.077 0.000 4.000 10 R HA -0.199 4.140 4.340 -0.002 0.000 0.362 10 R C -0.037 176.276 176.300 0.021 0.000 1.183 10 R CA 1.931 58.056 56.100 0.041 0.000 1.011 10 R CB -2.552 27.769 30.300 0.035 0.000 1.501 10 R HN 1.079 nan 8.270 nan 0.000 0.553 11 E N -2.191 118.024 120.200 0.026 0.000 2.445 11 E HA 0.432 4.781 4.350 -0.002 0.000 0.279 11 E C 0.695 177.247 176.600 -0.080 0.000 1.018 11 E CA -0.386 56.008 56.400 -0.010 0.000 0.816 11 E CB 1.142 30.860 29.700 0.031 0.000 1.356 11 E HN -0.109 nan 8.360 nan 0.000 0.462 12 V N -2.327 117.488 119.914 -0.165 0.000 3.174 12 V HA 0.109 4.227 4.120 -0.002 0.000 0.254 12 V C 0.854 176.682 176.094 -0.443 0.000 1.120 12 V CA 1.378 63.412 62.300 -0.444 0.000 1.114 12 V CB -0.326 31.268 31.823 -0.380 0.000 0.756 12 V HN 0.763 nan 8.190 nan 0.000 0.467 13 T N -3.055 111.428 114.554 -0.119 0.000 2.936 13 T HA 0.657 5.006 4.350 -0.002 0.000 0.282 13 T C 1.140 175.798 174.700 -0.070 0.000 1.003 13 T CA 0.344 62.420 62.100 -0.040 0.000 1.005 13 T CB 1.077 69.988 68.868 0.071 0.000 1.097 13 T HN 1.667 nan 8.240 nan 0.000 0.532 14 G N 0.372 108.973 108.800 -0.332 0.000 2.176 14 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.253 14 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.253 14 G C 0.312 174.937 174.900 -0.459 0.000 0.979 14 G CA 0.060 44.659 45.100 -0.836 0.000 0.641 14 G HN 1.158 nan 8.290 nan 0.000 0.530 15 S N 0.618 116.130 115.700 -0.314 0.000 3.298 15 S HA 0.363 4.831 4.470 -0.002 0.000 0.389 15 S C 0.571 174.907 174.600 -0.440 0.000 1.186 15 S CA 1.242 59.222 58.200 -0.366 0.000 1.034 15 S CB 0.172 63.024 63.200 -0.580 0.000 0.735 15 S HN 2.016 nan 8.310 nan 0.000 0.510 16 A N 5.134 127.548 122.820 -0.677 0.000 2.521 16 A HA 0.513 4.832 4.320 -0.002 0.000 0.298 16 A C -1.179 175.997 177.584 -0.681 0.000 1.044 16 A CA -0.793 50.967 52.037 -0.462 0.000 0.911 16 A CB 0.941 19.882 19.000 -0.098 0.000 1.376 16 A HN 0.785 nan 8.150 nan 0.000 0.392 17 H N 2.450 121.428 119.070 -0.154 0.000 2.744 17 H HA 0.444 4.998 4.556 -0.002 0.000 0.339 17 H C -1.169 174.042 175.328 -0.196 0.000 1.004 17 H CA -0.691 55.243 56.048 -0.190 0.000 1.257 17 H CB 1.954 31.489 29.762 -0.379 0.000 1.552 17 H HN 0.561 nan 8.280 nan 0.000 0.522 18 L N 4.360 125.561 121.223 -0.035 0.000 2.281 18 L HA 0.196 4.534 4.340 -0.002 0.000 0.285 18 L C -0.710 176.097 176.870 -0.104 0.000 1.074 18 L CA -0.532 54.207 54.840 -0.168 0.000 0.817 18 L CB 0.389 42.321 42.059 -0.212 0.000 1.168 18 L HN 0.433 nan 8.230 nan 0.000 0.434 19 L N 6.574 127.729 121.223 -0.114 0.000 2.275 19 L HA 0.516 4.855 4.340 -0.002 0.000 0.288 19 L C -1.191 175.639 176.870 -0.067 0.000 1.046 19 L CA 0.008 54.805 54.840 -0.072 0.000 0.805 19 L CB 0.913 42.943 42.059 -0.049 0.000 1.193 19 L HN 0.539 nan 8.230 nan 0.000 0.426 20 L N 6.594 127.788 121.223 -0.047 0.000 2.295 20 L HA 0.910 5.249 4.340 -0.002 0.000 0.281 20 L C -0.258 176.598 176.870 -0.024 0.000 1.018 20 L CA -0.297 54.521 54.840 -0.037 0.000 0.841 20 L CB 1.040 43.082 42.059 -0.029 0.000 1.218 20 L HN 0.869 nan 8.230 nan 0.000 0.424 21 A N 1.540 124.348 122.820 -0.020 0.000 2.567 21 A HA 0.645 4.963 4.320 -0.002 0.000 0.291 21 A C 0.453 178.032 177.584 -0.009 0.000 1.048 21 A CA 0.071 52.101 52.037 -0.011 0.000 0.661 21 A CB 0.967 19.964 19.000 -0.006 0.000 1.288 21 A HN 0.889 nan 8.150 nan 0.000 0.424 22 G N -0.516 108.280 108.800 -0.006 0.000 2.175 22 G HA2 0.228 4.187 3.960 -0.002 0.000 0.265 22 G HA3 0.228 4.187 3.960 -0.002 0.000 0.265 22 G C 1.831 176.728 174.900 -0.006 0.000 0.979 22 G CA 1.574 46.670 45.100 -0.006 0.000 0.663 22 G HN 3.035 nan 8.290 nan 0.000 0.533 23 G N -1.786 107.010 108.800 -0.007 0.000 2.171 23 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.238 23 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.238 23 G C 0.109 175.006 174.900 -0.005 0.000 1.039 23 G CA 0.934 46.031 45.100 -0.005 0.000 0.759 23 G HN 1.066 nan 8.290 nan 0.000 0.501 24 R N -1.076 119.419 120.500 -0.009 0.000 2.799 24 R HA 0.624 4.963 4.340 -0.002 0.000 0.270 24 R C -0.292 175.992 176.300 -0.027 0.000 1.010 24 R CA -0.909 55.184 56.100 -0.011 0.000 0.916 24 R CB 1.222 31.519 30.300 -0.005 0.000 1.228 24 R HN 0.304 nan 8.270 nan 0.000 0.469 25 R N 0.694 121.171 120.500 -0.037 0.000 2.388 25 R HA 0.520 4.858 4.340 -0.002 0.000 0.314 25 R C -0.862 175.379 176.300 -0.098 0.000 0.959 25 R CA -0.692 55.361 56.100 -0.080 0.000 0.851 25 R CB 1.998 32.240 30.300 -0.097 0.000 1.168 25 R HN 0.182 nan 8.270 nan 0.000 0.472 26 V N 4.628 124.477 119.914 -0.109 0.000 2.448 26 V HA 0.319 4.438 4.120 -0.002 0.000 0.295 26 V C -0.023 175.972 176.094 -0.165 0.000 1.025 26 V CA -0.837 61.401 62.300 -0.104 0.000 0.859 26 V CB 2.138 33.932 31.823 -0.048 0.000 0.988 26 V HN 0.619 nan 8.190 nan 0.000 0.431 27 L N 5.542 126.635 121.223 -0.218 0.000 2.265 27 L HA 0.426 4.765 4.340 -0.002 0.000 0.288 27 L C -1.088 175.707 176.870 -0.125 0.000 1.058 27 L CA -0.661 54.015 54.840 -0.272 0.000 0.809 27 L CB 1.287 43.102 42.059 -0.406 0.000 1.179 27 L HN 0.473 nan 8.230 nan 0.000 0.429 28 L N 5.398 126.565 121.223 -0.093 0.000 2.270 28 L HA 0.418 4.757 4.340 -0.002 0.000 0.286 28 L C -0.350 176.540 176.870 0.032 0.000 1.059 28 L CA 0.132 54.991 54.840 0.033 0.000 0.839 28 L CB 0.005 42.056 42.059 -0.014 0.000 1.221 28 L HN 0.595 nan 8.230 nan 0.000 0.431 29 D N 1.311 121.767 120.400 0.092 0.000 10.746 29 D HA -0.240 4.399 4.640 -0.002 0.000 0.347 29 D C -0.448 175.814 176.300 -0.064 0.000 3.135 29 D CA 0.334 54.365 54.000 0.052 0.000 2.657 29 D CB -0.201 40.648 40.800 0.082 0.000 1.219 29 D HN 0.643 nan 8.370 nan 0.000 0.943 30 C N 2.487 121.758 119.300 -0.048 0.000 3.235 30 C HA 0.557 5.016 4.460 -0.002 0.000 0.198 30 C C 0.602 175.594 174.990 0.002 0.000 1.527 30 C CA 0.470 59.477 59.018 -0.018 0.000 1.167 30 C CB -0.677 27.061 27.740 -0.004 0.000 1.938 30 C HN 0.644 nan 8.230 nan 0.000 0.593 31 G N 2.467 111.210 108.800 -0.094 0.000 2.507 31 G HA2 0.560 4.518 3.960 -0.002 0.000 0.271 31 G HA3 0.560 4.518 3.960 -0.002 0.000 0.271 31 G C -0.115 174.685 174.900 -0.167 0.000 1.189 31 G CA -0.492 44.558 45.100 -0.083 0.000 0.859 31 G HN 0.811 nan 8.290 nan 0.000 0.542 32 M N -0.054 119.506 119.600 -0.067 0.000 2.291 32 M HA 0.658 5.136 4.480 -0.002 0.000 0.324 32 M C -1.072 175.100 176.300 -0.214 0.000 1.148 32 M CA -0.486 54.738 55.300 -0.127 0.000 1.104 32 M CB 1.002 33.687 32.600 0.142 0.000 1.483 32 M HN 0.207 nan 8.290 nan 0.000 0.467 33 F N 1.266 121.187 119.950 -0.047 0.000 2.389 33 F HA 0.396 4.921 4.527 -0.002 0.000 0.337 33 F C 0.515 176.309 175.800 -0.009 0.000 1.112 33 F CA 0.074 58.051 58.000 -0.038 0.000 1.192 33 F CB 0.861 39.813 39.000 -0.081 0.000 1.185 33 F HN 0.600 nan 8.300 nan 0.000 0.552 34 Q N 0.498 120.415 119.800 0.195 0.000 2.484 34 Q HA 0.598 4.937 4.340 -0.002 0.000 0.285 34 Q C 0.486 176.552 176.000 0.110 0.000 1.097 34 Q CA -0.539 55.347 55.803 0.138 0.000 0.802 34 Q CB 2.377 31.189 28.738 0.123 0.000 1.444 34 Q HN 0.854 nan 8.270 nan 0.000 0.429 35 G N 1.614 110.472 108.800 0.095 0.000 2.565 35 G HA2 -0.434 3.525 3.960 -0.002 0.000 0.295 35 G HA3 -0.434 3.525 3.960 -0.002 0.000 0.295 35 G C 0.657 175.584 174.900 0.046 0.000 1.165 35 G CA 0.784 45.926 45.100 0.071 0.000 0.977 35 G HN 0.676 nan 8.290 nan 0.000 0.546 36 K N 0.975 121.393 120.400 0.029 0.000 2.280 36 K HA -0.058 4.261 4.320 -0.002 0.000 0.202 36 K C 1.668 178.254 176.600 -0.024 0.000 1.047 36 K CA 1.860 58.147 56.287 -0.000 0.000 0.942 36 K CB -0.103 32.392 32.500 -0.008 0.000 0.739 36 K HN 0.459 nan 8.250 nan 0.000 0.457 37 E N 0.376 120.570 120.200 -0.009 0.000 2.481 37 E HA -0.051 4.298 4.350 -0.002 0.000 0.198 37 E C 1.183 177.772 176.600 -0.019 0.000 1.027 37 E CA 0.016 56.376 56.400 -0.066 0.000 0.900 37 E CB 0.408 30.059 29.700 -0.081 0.000 0.993 37 E HN 0.291 nan 8.360 nan 0.000 0.482 38 E N 1.666 121.892 120.200 0.043 0.000 2.136 38 E HA -0.241 4.108 4.350 -0.002 0.000 0.202 38 E C 1.755 178.385 176.600 0.051 0.000 1.019 38 E CA 1.375 57.818 56.400 0.071 0.000 0.819 38 E CB 0.064 29.815 29.700 0.086 0.000 0.739 38 E HN 0.222 nan 8.360 nan 0.000 0.458 39 A N 0.964 123.790 122.820 0.010 0.000 2.024 39 A HA -0.185 4.133 4.320 -0.002 0.000 0.220 39 A C 2.160 179.737 177.584 -0.011 0.000 1.164 39 A CA 1.413 53.455 52.037 0.008 0.000 0.643 39 A CB -0.511 18.446 19.000 -0.071 0.000 0.806 39 A HN 0.180 nan 8.150 nan 0.000 0.451 40 R N -0.472 119.951 120.500 -0.128 0.000 2.241 40 R HA -0.087 4.252 4.340 -0.002 0.000 0.224 40 R C 1.421 177.659 176.300 -0.104 0.000 1.101 40 R CA 1.205 57.172 56.100 -0.221 0.000 0.995 40 R CB -0.422 29.488 30.300 -0.651 0.000 0.870 40 R HN 0.718 nan 8.270 nan 0.000 0.463 41 N N -0.414 118.197 118.700 -0.149 0.000 2.443 41 N HA -0.121 4.618 4.740 -0.002 0.000 0.184 41 N C 0.805 175.875 175.510 -0.733 0.000 1.037 41 N CA 0.573 53.243 53.050 -0.633 0.000 0.896 41 N CB 0.076 37.786 38.487 -1.294 0.000 0.959 41 N HN 0.353 nan 8.380 nan 0.000 0.442 42 H N -0.845 118.046 119.070 -0.297 0.000 2.529 42 H HA 0.349 4.904 4.556 -0.002 0.000 0.277 42 H C 0.256 175.502 175.328 -0.136 0.000 1.004 42 H CA -0.185 55.778 56.048 -0.142 0.000 1.167 42 H CB 0.476 30.199 29.762 -0.065 0.000 1.445 42 H HN 0.153 nan 8.280 nan 0.000 0.554 43 A N 2.155 124.913 122.820 -0.102 0.000 2.282 43 A HA 0.492 4.811 4.320 -0.002 0.000 0.324 43 A C -2.069 175.403 177.584 -0.186 0.000 1.119 43 A CA -1.660 50.310 52.037 -0.112 0.000 0.880 43 A CB 0.711 19.640 19.000 -0.119 0.000 1.294 43 A HN -0.056 nan 8.150 nan 0.000 0.493 44 P HA 0.056 nan 4.420 nan 0.000 0.269 44 P C -0.020 177.164 177.300 -0.194 0.000 1.217 44 P CA 0.158 63.161 63.100 -0.161 0.000 0.783 44 P CB 0.288 31.950 31.700 -0.064 0.000 0.898 45 F N 0.373 120.152 119.950 -0.285 0.000 2.206 45 F HA 0.104 4.630 4.527 -0.002 0.000 0.298 45 F C 2.237 177.791 175.800 -0.409 0.000 1.090 45 F CA 2.254 59.951 58.000 -0.506 0.000 1.323 45 F CB -0.681 37.520 39.000 -1.332 0.000 1.028 45 F HN 0.620 nan 8.300 nan 0.000 0.492 46 G N -0.773 107.919 108.800 -0.181 0.000 2.211 46 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.201 46 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.201 46 G C 0.045 174.838 174.900 -0.178 0.000 0.997 46 G CA -0.096 45.023 45.100 0.033 0.000 0.652 46 G HN 0.406 nan 8.290 nan 0.000 0.500 47 F N -0.497 119.259 119.950 -0.323 0.000 2.645 47 F HA 0.756 5.282 4.527 -0.002 0.000 0.310 47 F C -0.908 174.787 175.800 -0.174 0.000 1.102 47 F CA -1.774 56.042 58.000 -0.307 0.000 0.952 47 F CB 1.091 39.750 39.000 -0.569 0.000 1.326 47 F HN -0.069 nan 8.300 nan 0.000 0.456 48 D N 2.929 123.373 120.400 0.073 0.000 2.338 48 D HA 0.302 4.941 4.640 -0.002 0.000 0.255 48 D C -1.831 174.521 176.300 0.086 0.000 1.237 48 D CA -2.252 51.768 54.000 0.034 0.000 0.883 48 D CB 1.508 42.334 40.800 0.043 0.000 1.087 48 D HN 0.270 nan 8.370 nan 0.000 0.485 49 P HA -0.108 nan 4.420 nan 0.000 0.221 49 P C 0.879 178.201 177.300 0.037 0.000 1.145 49 P CA 1.101 64.172 63.100 -0.048 0.000 0.795 49 P CB 0.305 31.927 31.700 -0.129 0.000 0.775 50 K N -0.515 119.912 120.400 0.045 0.000 2.217 50 K HA -0.063 4.256 4.320 -0.002 0.000 0.202 50 K C 1.413 178.046 176.600 0.055 0.000 1.051 50 K CA 0.778 57.096 56.287 0.051 0.000 0.952 50 K CB -0.086 32.430 32.500 0.027 0.000 0.736 50 K HN 0.111 nan 8.250 nan 0.000 0.453 51 E N 0.698 120.926 120.200 0.046 0.000 2.489 51 E HA 0.017 4.366 4.350 -0.002 0.000 0.193 51 E C -0.150 176.458 176.600 0.014 0.000 1.057 51 E CA 0.143 56.561 56.400 0.029 0.000 0.866 51 E CB 0.266 29.980 29.700 0.023 0.000 0.916 51 E HN -0.037 nan 8.360 nan 0.000 0.500 52 V N 2.421 122.348 119.914 0.022 0.000 2.530 52 V HA 0.005 4.123 4.120 -0.002 0.000 0.282 52 V C 1.168 177.343 176.094 0.134 0.000 1.048 52 V CA 0.039 62.314 62.300 -0.042 0.000 0.997 52 V CB 1.418 33.072 31.823 -0.283 0.000 0.987 52 V HN 0.045 nan 8.190 nan 0.000 0.477 53 D N 2.918 123.363 120.400 0.074 0.000 2.240 53 D HA 0.293 4.932 4.640 -0.002 0.000 0.206 53 D C 0.528 176.948 176.300 0.200 0.000 0.963 53 D CA 1.126 55.199 54.000 0.121 0.000 0.863 53 D CB 0.974 41.808 40.800 0.056 0.000 0.973 53 D HN 0.658 nan 8.370 nan 0.000 0.501 54 A N -0.079 122.832 122.820 0.152 0.000 2.601 54 A HA 0.564 4.883 4.320 -0.002 0.000 0.291 54 A C -1.537 176.083 177.584 0.061 0.000 1.075 54 A CA -0.545 51.621 52.037 0.215 0.000 0.671 54 A CB 1.577 20.728 19.000 0.250 0.000 1.277 54 A HN -0.108 nan 8.150 nan 0.000 0.417 55 V N 0.379 120.366 119.914 0.121 0.000 2.789 55 V HA 0.646 4.765 4.120 -0.002 0.000 0.311 55 V C -1.314 174.884 176.094 0.173 0.000 1.073 55 V CA -0.453 61.861 62.300 0.024 0.000 0.921 55 V CB 1.639 33.406 31.823 -0.094 0.000 1.009 55 V HN 0.725 nan 8.190 nan 0.000 0.426 56 L N 4.810 126.125 121.223 0.154 0.000 2.356 56 L HA 0.608 4.947 4.340 -0.002 0.000 0.277 56 L C -0.900 176.139 176.870 0.281 0.000 0.996 56 L CA -0.235 54.763 54.840 0.264 0.000 0.822 56 L CB 1.679 43.856 42.059 0.197 0.000 1.256 56 L HN 0.401 nan 8.230 nan 0.000 0.413 57 L N 2.641 124.042 121.223 0.298 0.000 2.287 57 L HA 0.420 4.759 4.340 -0.002 0.000 0.287 57 L C 1.415 178.346 176.870 0.101 0.000 1.022 57 L CA 0.070 55.014 54.840 0.172 0.000 0.814 57 L CB 1.459 43.572 42.059 0.090 0.000 1.217 57 L HN 0.799 nan 8.230 nan 0.000 0.420 58 T N -0.806 113.797 114.554 0.082 0.000 3.023 58 T HA 0.061 4.409 4.350 -0.002 0.000 0.266 58 T C 0.523 175.149 174.700 -0.124 0.000 1.093 58 T CA 0.976 63.038 62.100 -0.064 0.000 1.129 58 T CB -0.300 68.603 68.868 0.058 0.000 0.899 58 T HN 0.691 nan 8.240 nan 0.000 0.491 59 H N -2.864 116.124 119.070 -0.136 0.000 2.917 59 H HA 0.610 5.164 4.556 -0.002 0.000 0.299 59 H C 0.699 175.954 175.328 -0.122 0.000 1.418 59 H CA -0.457 55.470 56.048 -0.202 0.000 1.138 59 H CB 1.077 30.696 29.762 -0.238 0.000 1.830 59 H HN -0.032 nan 8.280 nan 0.000 0.514 60 A N 0.137 122.969 122.820 0.020 0.000 2.067 60 A HA -0.004 4.314 4.320 -0.002 0.000 0.217 60 A C 0.600 178.260 177.584 0.126 0.000 1.156 60 A CA 0.307 52.346 52.037 0.004 0.000 0.683 60 A CB -1.322 17.638 19.000 -0.066 0.000 0.808 60 A HN 0.689 nan 8.150 nan 0.000 0.455 61 H N -0.732 118.512 119.070 0.289 0.000 3.092 61 H HA 0.014 4.569 4.556 -0.002 0.000 0.332 61 H C 1.221 176.658 175.328 0.180 0.000 1.029 61 H CA 0.062 56.254 56.048 0.240 0.000 1.376 61 H CB 0.505 30.488 29.762 0.368 0.000 1.329 61 H HN 0.256 nan 8.280 nan 0.000 0.598 62 L N 1.952 123.360 121.223 0.308 0.000 2.081 62 L HA -0.205 4.134 4.340 -0.002 0.000 0.212 62 L C 2.015 179.008 176.870 0.205 0.000 1.080 62 L CA 1.479 56.453 54.840 0.223 0.000 0.754 62 L CB -0.304 41.878 42.059 0.204 0.000 0.893 62 L HN 0.820 nan 8.230 nan 0.000 0.433 63 D N -2.281 118.261 120.400 0.236 0.000 2.338 63 D HA -0.172 4.467 4.640 -0.002 0.000 0.239 63 D C 1.213 177.624 176.300 0.185 0.000 1.095 63 D CA 0.789 54.903 54.000 0.189 0.000 0.888 63 D CB -0.043 40.884 40.800 0.211 0.000 0.899 63 D HN 0.539 nan 8.370 nan 0.000 0.525 64 H N -0.747 118.349 119.070 0.043 0.000 3.643 64 H HA 0.082 4.637 4.556 -0.002 0.000 0.256 64 H C 1.606 176.912 175.328 -0.036 0.000 1.107 64 H CA 0.631 56.648 56.048 -0.053 0.000 1.175 64 H CB 1.691 31.256 29.762 -0.329 0.000 1.519 64 H HN 0.175 nan 8.280 nan 0.000 0.565 65 V N -3.378 116.601 119.914 0.110 0.000 3.497 65 V HA 0.403 4.521 4.120 -0.002 0.000 0.272 65 V C 2.107 178.252 176.094 0.084 0.000 1.474 65 V CA 0.855 63.200 62.300 0.075 0.000 1.025 65 V CB 0.173 32.031 31.823 0.059 0.000 0.820 65 V HN 0.202 nan 8.190 nan 0.000 0.437 66 G N 1.301 110.181 108.800 0.133 0.000 2.545 66 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.222 66 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.222 66 G C 1.645 176.716 174.900 0.285 0.000 1.126 66 G CA 1.390 46.621 45.100 0.218 0.000 0.754 66 G HN 0.538 nan 8.290 nan 0.000 0.583 67 R N -0.753 119.888 120.500 0.235 0.000 2.317 67 R HA 0.248 4.587 4.340 -0.002 0.000 0.208 67 R C 2.112 178.560 176.300 0.246 0.000 0.914 67 R CA -0.348 55.956 56.100 0.339 0.000 1.060 67 R CB -0.119 30.348 30.300 0.279 0.000 1.015 67 R HN 0.317 nan 8.270 nan 0.000 0.498 68 L N 2.468 123.756 121.223 0.107 0.000 2.013 68 L HA -0.129 4.209 4.340 -0.002 0.000 0.212 68 L C -1.015 175.937 176.870 0.137 0.000 1.073 68 L CA 2.145 57.051 54.840 0.111 0.000 0.753 68 L CB -0.747 41.361 42.059 0.082 0.000 0.890 68 L HN 0.049 nan 8.230 nan 0.000 0.432 69 P HA -0.202 nan 4.420 nan 0.000 0.222 69 P C 1.376 178.669 177.300 -0.010 0.000 1.147 69 P CA 1.438 64.376 63.100 -0.271 0.000 0.790 69 P CB -0.081 30.998 31.700 -1.035 0.000 0.780 70 K N -0.187 120.274 120.400 0.101 0.000 2.103 70 K HA -0.108 4.211 4.320 -0.002 0.000 0.204 70 K C 2.105 178.928 176.600 0.372 0.000 1.052 70 K CA 0.609 57.077 56.287 0.302 0.000 0.945 70 K CB -0.607 32.136 32.500 0.405 0.000 0.722 70 K HN -0.089 nan 8.250 nan 0.000 0.443 71 L N 0.777 122.241 121.223 0.403 0.000 2.012 71 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 71 L C 1.848 178.750 176.870 0.053 0.000 1.073 71 L CA 1.776 56.708 54.840 0.153 0.000 0.748 71 L CB -0.510 41.452 42.059 -0.161 0.000 0.891 71 L HN 0.157 nan 8.230 nan 0.000 0.431 72 F N -0.561 119.442 119.950 0.088 0.000 2.163 72 F HA -0.109 4.417 4.527 -0.002 0.000 0.297 72 F C 2.725 178.557 175.800 0.054 0.000 1.094 72 F CA 1.548 59.577 58.000 0.048 0.000 1.290 72 F CB -0.553 38.422 39.000 -0.041 0.000 1.017 72 F HN 0.017 nan 8.300 nan 0.000 0.483 73 R N 0.910 121.562 120.500 0.253 0.000 2.154 73 R HA -0.196 4.142 4.340 -0.002 0.000 0.248 73 R C 1.200 177.587 176.300 0.145 0.000 1.155 73 R CA 1.833 58.041 56.100 0.179 0.000 0.979 73 R CB -0.305 30.103 30.300 0.180 0.000 0.869 73 R HN 0.367 nan 8.270 nan 0.000 0.452 74 E N -1.748 118.544 120.200 0.153 0.000 2.437 74 E HA 0.106 4.455 4.350 -0.002 0.000 0.189 74 E C 0.703 177.349 176.600 0.076 0.000 1.054 74 E CA 0.351 56.822 56.400 0.118 0.000 0.874 74 E CB 0.978 30.774 29.700 0.159 0.000 1.011 74 E HN 0.653 nan 8.360 nan 0.000 0.474 75 G N 1.234 110.073 108.800 0.065 0.000 2.481 75 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.200 75 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.200 75 G C -0.021 174.863 174.900 -0.026 0.000 1.012 75 G CA -0.357 44.761 45.100 0.029 0.000 0.676 75 G HN 0.370 nan 8.290 nan 0.000 0.488 76 Y N 2.528 122.688 120.300 -0.234 0.000 2.811 76 Y HA 0.421 4.969 4.550 -0.002 0.000 0.334 76 Y C 1.322 176.912 175.900 -0.516 0.000 1.247 76 Y CA 0.732 58.580 58.100 -0.421 0.000 1.526 76 Y CB 0.513 38.585 38.460 -0.646 0.000 1.284 76 Y HN 0.116 nan 8.280 nan 0.000 0.586 77 R N 4.087 123.970 120.500 -1.029 0.000 2.544 77 R HA 0.204 4.542 4.340 -0.002 0.000 0.426 77 R C 0.242 176.169 176.300 -0.620 0.000 0.943 77 R CA 0.317 56.044 56.100 -0.622 0.000 1.162 77 R CB 0.530 30.741 30.300 -0.148 0.000 1.588 77 R HN 0.864 nan 8.270 nan 0.000 0.563 78 G N 1.911 109.826 108.800 -1.474 0.000 2.543 78 G HA2 0.393 4.351 3.960 -0.002 0.000 0.290 78 G HA3 0.393 4.351 3.960 -0.002 0.000 0.290 78 G C -2.400 172.435 174.900 -0.109 0.000 1.310 78 G CA -0.875 43.835 45.100 -0.651 0.000 1.025 78 G HN -0.137 nan 8.290 nan 0.000 0.502 79 P HA 0.279 nan 4.420 nan 0.000 0.272 79 P C -0.862 176.464 177.300 0.044 0.000 1.230 79 P CA -0.226 62.862 63.100 -0.020 0.000 0.788 79 P CB 1.551 33.105 31.700 -0.243 0.000 0.949 80 V N 2.485 122.330 119.914 -0.115 0.000 2.462 80 V HA 0.229 4.348 4.120 -0.002 0.000 0.288 80 V C -0.673 175.343 176.094 -0.129 0.000 1.020 80 V CA -0.482 61.829 62.300 0.018 0.000 0.857 80 V CB 0.521 32.450 31.823 0.177 0.000 1.013 80 V HN 0.382 nan 8.190 nan 0.000 0.431 81 Y N 2.811 123.183 120.300 0.120 0.000 2.310 81 Y HA 0.811 5.360 4.550 -0.002 0.000 0.326 81 Y C 0.561 176.592 175.900 0.218 0.000 1.151 81 Y CA -0.101 58.069 58.100 0.117 0.000 1.195 81 Y CB 1.828 40.304 38.460 0.027 0.000 1.210 81 Y HN 0.778 nan 8.280 nan 0.000 0.483 82 A N 0.532 123.575 122.820 0.373 0.000 2.586 82 A HA 0.558 4.877 4.320 -0.002 0.000 0.291 82 A C -0.364 177.289 177.584 0.114 0.000 1.062 82 A CA -0.712 51.477 52.037 0.254 0.000 0.666 82 A CB 0.217 19.255 19.000 0.064 0.000 1.281 82 A HN 0.717 nan 8.150 nan 0.000 0.421 83 T N -1.028 113.440 114.554 -0.143 0.000 2.802 83 T HA 0.313 4.661 4.350 -0.002 0.000 0.305 83 T C 1.147 175.749 174.700 -0.163 0.000 1.053 83 T CA 0.468 62.448 62.100 -0.201 0.000 1.058 83 T CB 0.549 69.136 68.868 -0.468 0.000 0.988 83 T HN 0.854 nan 8.240 nan 0.000 0.539 84 R N 1.423 121.887 120.500 -0.061 0.000 2.081 84 R HA -0.001 4.337 4.340 -0.002 0.000 0.235 84 R C 2.588 178.753 176.300 -0.226 0.000 1.131 84 R CA 2.058 58.132 56.100 -0.044 0.000 0.960 84 R CB -1.455 28.914 30.300 0.115 0.000 0.856 84 R HN 0.863 nan 8.270 nan 0.000 0.436 85 A N -0.813 121.620 122.820 -0.646 0.000 1.865 85 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 85 A C 2.280 179.587 177.584 -0.462 0.000 1.191 85 A CA 2.308 53.861 52.037 -0.808 0.000 0.623 85 A CB -1.264 16.732 19.000 -1.673 0.000 0.826 85 A HN 0.476 nan 8.150 nan 0.000 0.444 86 T N -0.285 114.009 114.554 -0.434 0.000 2.788 86 T HA -0.114 4.235 4.350 -0.002 0.000 0.268 86 T C 1.846 176.450 174.700 -0.159 0.000 1.044 86 T CA 1.553 63.495 62.100 -0.263 0.000 1.139 86 T CB -0.417 68.306 68.868 -0.242 0.000 0.867 86 T HN 0.184 nan 8.240 nan 0.000 0.454 87 V N 1.263 121.094 119.914 -0.139 0.000 2.407 87 V HA -0.099 4.019 4.120 -0.002 0.000 0.248 87 V C 2.386 178.440 176.094 -0.067 0.000 1.055 87 V CA 1.394 63.648 62.300 -0.078 0.000 1.049 87 V CB -0.634 31.157 31.823 -0.054 0.000 0.662 87 V HN 0.436 nan 8.190 nan 0.000 0.455 88 L N -0.943 120.231 121.223 -0.083 0.000 2.068 88 L HA -0.082 4.257 4.340 -0.002 0.000 0.204 88 L C 2.402 179.249 176.870 -0.037 0.000 1.076 88 L CA 1.283 56.094 54.840 -0.049 0.000 0.753 88 L CB -0.489 41.545 42.059 -0.042 0.000 0.910 88 L HN 0.252 nan 8.230 nan 0.000 0.439 89 L N -0.904 120.282 121.223 -0.062 0.000 2.079 89 L HA -0.284 4.054 4.340 -0.002 0.000 0.210 89 L C 2.701 179.563 176.870 -0.014 0.000 1.081 89 L CA 1.367 56.187 54.840 -0.033 0.000 0.752 89 L CB -0.398 41.618 42.059 -0.071 0.000 0.896 89 L HN 0.346 nan 8.230 nan 0.000 0.433 90 M N -0.507 119.075 119.600 -0.029 0.000 2.108 90 M HA -0.276 4.202 4.480 -0.002 0.000 0.261 90 M C 2.296 178.594 176.300 -0.004 0.000 1.066 90 M CA 1.823 57.116 55.300 -0.011 0.000 1.107 90 M CB -0.223 32.362 32.600 -0.025 0.000 1.356 90 M HN 0.268 nan 8.290 nan 0.000 0.406 91 E N 0.580 120.773 120.200 -0.011 0.000 2.085 91 E HA -0.219 4.129 4.350 -0.002 0.000 0.194 91 E C 1.739 178.345 176.600 0.011 0.000 0.994 91 E CA 1.425 57.821 56.400 -0.007 0.000 0.801 91 E CB -0.086 29.608 29.700 -0.009 0.000 0.743 91 E HN 0.552 nan 8.360 nan 0.000 0.453 92 I N 0.248 120.829 120.570 0.019 0.000 2.133 92 I HA -0.245 3.923 4.170 -0.002 0.000 0.238 92 I C 2.448 178.594 176.117 0.049 0.000 1.074 92 I CA 0.731 62.051 61.300 0.033 0.000 1.342 92 I CB -0.362 37.660 38.000 0.037 0.000 1.053 92 I HN 0.048 nan 8.210 nan 0.000 0.404 93 V N 0.884 120.833 119.914 0.058 0.000 2.282 93 V HA -0.295 3.823 4.120 -0.002 0.000 0.249 93 V C 2.429 178.578 176.094 0.092 0.000 1.057 93 V CA 1.755 64.107 62.300 0.086 0.000 1.032 93 V CB -0.571 31.311 31.823 0.099 0.000 0.645 93 V HN 0.308 nan 8.190 nan 0.000 0.447 94 L N -0.533 120.729 121.223 0.065 0.000 2.156 94 L HA -0.049 4.290 4.340 -0.002 0.000 0.208 94 L C 2.502 179.426 176.870 0.090 0.000 1.095 94 L CA 1.619 56.500 54.840 0.067 0.000 0.770 94 L CB -0.836 41.218 42.059 -0.007 0.000 0.914 94 L HN 0.301 nan 8.230 nan 0.000 0.439 95 E N -0.556 119.680 120.200 0.060 0.000 2.072 95 E HA -0.231 4.118 4.350 -0.002 0.000 0.191 95 E C 1.814 178.453 176.600 0.064 0.000 0.985 95 E CA 1.171 57.605 56.400 0.056 0.000 0.801 95 E CB -0.358 29.362 29.700 0.034 0.000 0.750 95 E HN 0.523 nan 8.360 nan 0.000 0.452 96 D N 0.749 121.189 120.400 0.067 0.000 2.117 96 D HA -0.143 4.496 4.640 -0.002 0.000 0.197 96 D C 1.786 178.132 176.300 0.077 0.000 0.987 96 D CA 1.414 55.454 54.000 0.067 0.000 0.829 96 D CB 0.192 41.036 40.800 0.074 0.000 0.961 96 D HN 0.061 nan 8.370 nan 0.000 0.460 97 A N 1.239 124.124 122.820 0.110 0.000 1.898 97 A HA -0.091 4.228 4.320 -0.002 0.000 0.216 97 A C 2.578 180.195 177.584 0.056 0.000 1.181 97 A CA 0.823 52.934 52.037 0.123 0.000 0.620 97 A CB -0.916 18.219 19.000 0.225 0.000 0.819 97 A HN 0.389 nan 8.150 nan 0.000 0.442 98 L N -0.882 120.398 121.223 0.095 0.000 2.042 98 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 98 L C 2.605 179.455 176.870 -0.034 0.000 1.076 98 L CA 2.254 57.105 54.840 0.019 0.000 0.749 98 L CB -0.228 41.902 42.059 0.118 0.000 0.893 98 L HN 0.529 nan 8.230 nan 0.000 0.432 99 K N -0.678 119.725 120.400 0.005 0.000 2.020 99 K HA -0.030 4.288 4.320 -0.002 0.000 0.206 99 K C 0.929 177.528 176.600 -0.002 0.000 1.038 99 K CA 0.719 57.005 56.287 -0.001 0.000 0.947 99 K CB 0.166 32.673 32.500 0.012 0.000 0.744 99 K HN 0.083 nan 8.250 nan 0.000 0.442 100 V N 3.181 123.105 119.914 0.016 0.000 1.935 100 V HA 0.130 4.249 4.120 -0.002 0.000 0.262 100 V C 0.026 176.135 176.094 0.025 0.000 1.726 100 V CA 0.325 62.640 62.300 0.025 0.000 1.656 100 V CB -0.886 30.962 31.823 0.042 0.000 1.532 100 V HN 0.339 nan 8.190 nan 0.000 0.509 101 M N 0.531 120.130 119.600 -0.001 0.000 2.518 101 M HA 0.445 4.924 4.480 -0.002 0.000 0.300 101 M C 0.135 176.436 176.300 0.002 0.000 1.175 101 M CA -0.608 54.691 55.300 -0.003 0.000 0.890 101 M CB 2.269 34.825 32.600 -0.073 0.000 1.710 101 M HN 0.252 nan 8.290 nan 0.000 0.453 102 D N 1.824 122.244 120.400 0.033 0.000 2.049 102 D HA -0.035 4.603 4.640 -0.002 0.000 0.240 102 D C -0.448 175.874 176.300 0.036 0.000 0.979 102 D CA 1.270 55.292 54.000 0.037 0.000 0.915 102 D CB 0.095 40.928 40.800 0.056 0.000 1.050 102 D HN 0.634 nan 8.370 nan 0.000 0.444 103 E N 2.058 122.310 120.200 0.086 0.000 2.070 103 E HA 0.235 4.584 4.350 -0.002 0.000 0.261 103 E C -2.276 174.467 176.600 0.238 0.000 0.926 103 E CA -1.704 54.767 56.400 0.118 0.000 0.760 103 E CB 1.675 31.411 29.700 0.061 0.000 1.133 103 E HN 0.173 nan 8.360 nan 0.000 0.420 104 P HA -0.073 nan 4.420 nan 0.000 0.267 104 P C -0.318 176.923 177.300 -0.097 0.000 1.205 104 P CA 0.155 63.117 63.100 -0.230 0.000 0.765 104 P CB 0.208 31.696 31.700 -0.353 0.000 0.828 105 F N 1.782 121.513 119.950 -0.366 0.000 2.653 105 F HA 0.441 4.967 4.527 -0.002 0.000 0.304 105 F C 0.067 175.852 175.800 -0.026 0.000 1.092 105 F CA -1.023 56.799 58.000 -0.296 0.000 1.279 105 F CB -0.282 38.319 39.000 -0.666 0.000 1.044 105 F HN 0.098 nan 8.300 nan 0.000 0.564 106 F N -1.058 118.669 119.950 -0.373 0.000 2.678 106 F HA 0.887 5.413 4.527 -0.002 0.000 0.308 106 F C -0.192 175.502 175.800 -0.178 0.000 1.118 106 F CA -1.776 56.076 58.000 -0.245 0.000 0.959 106 F CB 0.753 39.562 39.000 -0.318 0.000 1.305 106 F HN 0.013 nan 8.300 nan 0.000 0.443 107 G N 0.421 109.332 108.800 0.185 0.000 2.613 107 G HA2 0.603 4.562 3.960 -0.002 0.000 0.303 107 G HA3 0.603 4.562 3.960 -0.002 0.000 0.303 107 G C -2.286 172.714 174.900 0.167 0.000 1.312 107 G CA -1.840 43.322 45.100 0.103 0.000 1.036 107 G HN 0.483 nan 8.290 nan 0.000 0.513 108 P HA -0.124 nan 4.420 nan 0.000 0.216 108 P C 1.424 178.746 177.300 0.038 0.000 1.153 108 P CA 1.494 64.632 63.100 0.063 0.000 0.848 108 P CB 0.156 31.876 31.700 0.032 0.000 0.787 109 E N 0.755 120.975 120.200 0.034 0.000 2.110 109 E HA -0.202 4.146 4.350 -0.002 0.000 0.193 109 E C 1.463 178.063 176.600 0.000 0.000 0.988 109 E CA 1.260 57.669 56.400 0.016 0.000 0.804 109 E CB -1.352 28.364 29.700 0.026 0.000 0.745 109 E HN 0.249 nan 8.360 nan 0.000 0.458 110 D N 1.081 121.498 120.400 0.029 0.000 2.117 110 D HA -0.090 4.548 4.640 -0.002 0.000 0.197 110 D C 2.248 178.473 176.300 -0.125 0.000 0.987 110 D CA 1.325 55.325 54.000 0.000 0.000 0.829 110 D CB 0.036 40.880 40.800 0.074 0.000 0.961 110 D HN 0.119 nan 8.370 nan 0.000 0.460 111 V N 1.758 121.613 119.914 -0.098 0.000 2.307 111 V HA -0.242 3.876 4.120 -0.002 0.000 0.245 111 V C 2.600 178.596 176.094 -0.163 0.000 1.045 111 V CA 2.128 64.331 62.300 -0.161 0.000 1.024 111 V CB -0.638 31.155 31.823 -0.049 0.000 0.651 111 V HN 0.303 nan 8.190 nan 0.000 0.449 112 E N 0.707 120.845 120.200 -0.104 0.000 2.118 112 E HA -0.324 4.025 4.350 -0.002 0.000 0.195 112 E C 2.018 178.526 176.600 -0.153 0.000 0.992 112 E CA 1.869 58.210 56.400 -0.100 0.000 0.804 112 E CB -0.320 29.347 29.700 -0.055 0.000 0.741 112 E HN 0.638 nan 8.360 nan 0.000 0.458 113 E N 1.022 121.104 120.200 -0.197 0.000 2.051 113 E HA -0.181 4.168 4.350 -0.002 0.000 0.192 113 E C 1.963 178.162 176.600 -0.670 0.000 0.991 113 E CA 1.864 58.093 56.400 -0.284 0.000 0.799 113 E CB -0.469 29.081 29.700 -0.249 0.000 0.748 113 E HN 0.410 nan 8.360 nan 0.000 0.449 114 A N 0.589 122.849 122.820 -0.934 0.000 1.858 114 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 114 A C 2.321 179.641 177.584 -0.441 0.000 1.190 114 A CA 1.653 53.018 52.037 -1.120 0.000 0.617 114 A CB -0.963 17.711 19.000 -0.542 0.000 0.827 114 A HN 0.353 nan 8.150 nan 0.000 0.443 115 L N -0.436 120.632 121.223 -0.259 0.000 2.265 115 L HA -0.124 4.214 4.340 -0.002 0.000 0.215 115 L C 2.486 179.295 176.870 -0.103 0.000 1.117 115 L CA 0.724 55.485 54.840 -0.133 0.000 0.782 115 L CB -0.550 41.449 42.059 -0.101 0.000 0.914 115 L HN 0.520 nan 8.230 nan 0.000 0.441 116 G N -1.950 106.781 108.800 -0.114 0.000 2.744 116 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.211 116 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.211 116 G C 0.774 175.604 174.900 -0.116 0.000 1.143 116 G CA 0.106 45.155 45.100 -0.086 0.000 0.788 116 G HN 0.441 nan 8.290 nan 0.000 0.534 117 H N -0.966 118.011 119.070 -0.154 0.000 2.784 117 H HA 0.353 4.907 4.556 -0.002 0.000 0.273 117 H C 0.540 175.829 175.328 -0.065 0.000 1.112 117 H CA -0.677 55.340 56.048 -0.052 0.000 1.162 117 H CB 0.364 30.204 29.762 0.130 0.000 1.586 117 H HN 0.109 nan 8.280 nan 0.000 0.548 118 L N 2.086 123.319 121.223 0.016 0.000 2.477 118 L HA 0.196 4.535 4.340 -0.002 0.000 0.272 118 L C 0.204 177.032 176.870 -0.070 0.000 1.157 118 L CA 0.445 55.270 54.840 -0.025 0.000 0.889 118 L CB 0.409 42.455 42.059 -0.022 0.000 1.158 118 L HN 0.138 nan 8.230 nan 0.000 0.473 119 R N 5.114 125.538 120.500 -0.126 0.000 2.599 119 R HA 0.453 4.791 4.340 -0.002 0.000 0.295 119 R C -2.473 173.850 176.300 0.038 0.000 0.963 119 R CA -1.851 54.191 56.100 -0.097 0.000 0.883 119 R CB 2.049 32.201 30.300 -0.247 0.000 1.171 119 R HN 0.354 nan 8.270 nan 0.000 0.450 120 P HA 0.151 nan 4.420 nan 0.000 0.275 120 P C -1.117 176.289 177.300 0.178 0.000 1.228 120 P CA -0.379 62.786 63.100 0.109 0.000 0.786 120 P CB 1.120 32.857 31.700 0.062 0.000 0.927 121 L N 2.115 123.444 121.223 0.176 0.000 2.562 121 L HA 0.391 4.730 4.340 -0.002 0.000 0.266 121 L C -0.587 176.362 176.870 0.131 0.000 0.949 121 L CA -0.289 54.632 54.840 0.136 0.000 0.879 121 L CB 1.683 43.802 42.059 0.101 0.000 1.278 121 L HN 0.202 nan 8.230 nan 0.000 0.404 122 E N 2.491 122.705 120.200 0.023 0.000 2.284 122 E HA 0.327 4.675 4.350 -0.002 0.000 0.255 122 E C -1.098 175.456 176.600 -0.078 0.000 1.052 122 E CA -0.590 55.763 56.400 -0.079 0.000 0.904 122 E CB 0.499 30.168 29.700 -0.052 0.000 1.217 122 E HN 0.413 nan 8.360 nan 0.000 0.438 123 Y N 0.251 120.570 120.300 0.031 0.000 2.729 123 Y HA 0.218 4.766 4.550 -0.002 0.000 0.331 123 Y C 1.677 177.518 175.900 -0.098 0.000 1.208 123 Y CA 1.443 59.517 58.100 -0.043 0.000 1.521 123 Y CB -0.201 38.212 38.460 -0.077 0.000 1.233 123 Y HN 0.756 nan 8.280 nan 0.000 0.539 124 G N 1.806 110.576 108.800 -0.051 0.000 2.199 124 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.254 124 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.254 124 G C 0.032 174.773 174.900 -0.265 0.000 0.982 124 G CA -0.059 44.939 45.100 -0.170 0.000 0.632 124 G HN 0.575 nan 8.290 nan 0.000 0.529 125 E N -0.757 119.307 120.200 -0.227 0.000 2.343 125 E HA 0.448 4.797 4.350 -0.002 0.000 0.269 125 E C -0.502 175.892 176.600 -0.343 0.000 1.047 125 E CA -0.599 55.706 56.400 -0.158 0.000 0.874 125 E CB 0.712 30.364 29.700 -0.080 0.000 1.033 125 E HN 0.352 nan 8.360 nan 0.000 0.409 126 W N 2.550 123.799 121.300 -0.086 0.000 2.433 126 W HA 0.345 5.004 4.660 -0.002 0.000 0.315 126 W C -0.572 175.854 176.519 -0.155 0.000 1.087 126 W CA -0.648 56.627 57.345 -0.116 0.000 1.205 126 W CB 0.806 30.220 29.460 -0.077 0.000 1.288 126 W HN 0.316 nan 8.180 nan 0.000 0.504 127 L N 4.507 125.722 121.223 -0.013 0.000 2.317 127 L HA 0.616 4.954 4.340 -0.002 0.000 0.281 127 L C -0.489 176.353 176.870 -0.048 0.000 1.024 127 L CA -0.915 53.836 54.840 -0.149 0.000 0.810 127 L CB 0.923 42.721 42.059 -0.436 0.000 1.240 127 L HN 0.365 nan 8.230 nan 0.000 0.427 128 R N 5.819 126.290 120.500 -0.048 0.000 2.534 128 R HA 0.709 5.047 4.340 -0.002 0.000 0.301 128 R C -1.660 174.623 176.300 -0.027 0.000 0.961 128 R CA -0.749 55.340 56.100 -0.019 0.000 0.871 128 R CB 1.624 31.921 30.300 -0.004 0.000 1.170 128 R HN 0.645 nan 8.270 nan 0.000 0.446 129 L N 2.204 123.416 121.223 -0.018 0.000 2.439 129 L HA 0.411 4.750 4.340 -0.002 0.000 0.270 129 L C 0.877 177.746 176.870 -0.002 0.000 0.972 129 L CA -0.611 54.227 54.840 -0.004 0.000 0.836 129 L CB 1.956 44.013 42.059 -0.003 0.000 1.255 129 L HN 0.933 nan 8.230 nan 0.000 0.404 130 G N 2.782 111.583 108.800 0.001 0.000 2.634 130 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.309 130 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.309 130 G C 0.569 175.465 174.900 -0.007 0.000 1.265 130 G CA 0.516 45.615 45.100 -0.002 0.000 0.998 130 G HN 1.009 nan 8.290 nan 0.000 0.551 131 A N -0.773 122.042 122.820 -0.008 0.000 2.532 131 A HA 0.652 4.971 4.320 -0.002 0.000 0.273 131 A C 0.333 177.911 177.584 -0.009 0.000 1.342 131 A CA 0.947 52.977 52.037 -0.012 0.000 0.929 131 A CB -0.133 18.859 19.000 -0.013 0.000 1.051 131 A HN 1.603 nan 8.150 nan 0.000 0.521 132 L N -0.258 120.963 121.223 -0.003 0.000 2.346 132 L HA 0.710 5.049 4.340 -0.002 0.000 0.274 132 L C -0.601 176.283 176.870 0.023 0.000 1.007 132 L CA -0.053 54.792 54.840 0.008 0.000 0.818 132 L CB 2.180 44.242 42.059 0.005 0.000 1.284 132 L HN -0.004 nan 8.230 nan 0.000 0.424 133 S N 5.364 121.102 115.700 0.064 0.000 2.502 133 S HA 0.831 5.299 4.470 -0.002 0.000 0.304 133 S C -0.898 173.858 174.600 0.260 0.000 1.097 133 S CA -0.481 57.813 58.200 0.157 0.000 1.045 133 S CB 1.175 64.439 63.200 0.106 0.000 1.019 133 S HN 0.516 nan 8.310 nan 0.000 0.481 134 L N 2.107 123.444 121.223 0.190 0.000 2.401 134 L HA 0.961 5.300 4.340 -0.002 0.000 0.266 134 L C -0.332 176.331 176.870 -0.345 0.000 0.991 134 L CA -0.663 54.153 54.840 -0.040 0.000 0.818 134 L CB 1.979 43.937 42.059 -0.169 0.000 1.321 134 L HN 0.751 nan 8.230 nan 0.000 0.413 135 A N 1.417 123.876 122.820 -0.602 0.000 2.549 135 A HA 0.834 5.153 4.320 -0.002 0.000 0.297 135 A C -1.562 175.703 177.584 -0.532 0.000 1.061 135 A CA -0.407 51.109 52.037 -0.868 0.000 0.690 135 A CB 1.167 19.134 19.000 -1.722 0.000 1.287 135 A HN 0.364 nan 8.150 nan 0.000 0.402 136 F N 0.868 120.583 119.950 -0.393 0.000 2.379 136 F HA 0.625 5.150 4.527 -0.002 0.000 0.332 136 F C 1.115 176.669 175.800 -0.410 0.000 1.096 136 F CA -0.178 57.625 58.000 -0.328 0.000 1.105 136 F CB 1.889 40.734 39.000 -0.257 0.000 1.189 136 F HN 0.724 nan 8.300 nan 0.000 0.515 137 G N 0.960 109.413 108.800 -0.579 0.000 2.511 137 G HA2 0.466 4.425 3.960 -0.002 0.000 0.318 137 G HA3 0.466 4.425 3.960 -0.002 0.000 0.318 137 G C -1.526 172.997 174.900 -0.628 0.000 1.210 137 G CA -0.703 43.759 45.100 -1.063 0.000 0.969 137 G HN 0.450 nan 8.290 nan 0.000 0.484 138 Q N 0.078 119.638 119.800 -0.400 0.000 2.293 138 Q HA 0.549 4.887 4.340 -0.002 0.000 0.263 138 Q C 0.731 176.719 176.000 -0.021 0.000 1.002 138 Q CA 0.526 56.080 55.803 -0.416 0.000 0.910 138 Q CB 1.296 29.706 28.738 -0.546 0.000 1.185 138 Q HN 0.538 nan 8.270 nan 0.000 0.401 139 A N 3.649 126.460 122.820 -0.016 0.000 2.063 139 A HA 0.376 4.694 4.320 -0.002 0.000 0.211 139 A C 1.346 178.883 177.584 -0.078 0.000 1.177 139 A CA 0.512 52.563 52.037 0.023 0.000 0.759 139 A CB -0.589 18.396 19.000 -0.025 0.000 0.857 139 A HN 1.428 nan 8.150 nan 0.000 0.468 140 G N -0.797 107.936 108.800 -0.111 0.000 2.305 140 G HA2 -0.345 3.613 3.960 -0.002 0.000 0.287 140 G HA3 -0.345 3.613 3.960 -0.002 0.000 0.287 140 G C 0.442 175.259 174.900 -0.138 0.000 1.036 140 G CA 1.268 46.288 45.100 -0.133 0.000 0.887 140 G HN 0.948 nan 8.290 nan 0.000 0.505 141 H N -1.442 117.460 119.070 -0.280 0.000 2.681 141 H HA 0.668 5.222 4.556 -0.002 0.000 0.268 141 H C 0.661 175.761 175.328 -0.379 0.000 0.967 141 H CA 1.038 56.866 56.048 -0.366 0.000 1.233 141 H CB 0.377 29.846 29.762 -0.489 0.000 1.445 141 H HN 0.605 nan 8.280 nan 0.000 0.494 142 L N 0.131 121.070 121.223 -0.473 0.000 2.653 142 L HA 0.411 4.750 4.340 -0.002 0.000 0.257 142 L C -2.786 173.850 176.870 -0.391 0.000 0.969 142 L CA -2.155 52.376 54.840 -0.516 0.000 0.869 142 L CB 1.959 43.603 42.059 -0.691 0.000 1.439 142 L HN -0.137 nan 8.230 nan 0.000 0.414 143 P HA 0.254 nan 4.420 nan 0.000 0.258 143 P C 0.486 177.464 177.300 -0.537 0.000 1.187 143 P CA 1.550 64.315 63.100 -0.559 0.000 0.767 143 P CB 0.321 31.569 31.700 -0.754 0.000 0.770 144 G N 2.252 110.792 108.800 -0.434 0.000 2.175 144 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.244 144 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.244 144 G C 0.332 175.066 174.900 -0.277 0.000 0.982 144 G CA 0.130 44.945 45.100 -0.475 0.000 0.641 144 G HN 0.745 nan 8.290 nan 0.000 0.527 145 S N -0.129 115.472 115.700 -0.165 0.000 2.562 145 S HA 0.816 5.285 4.470 -0.002 0.000 0.281 145 S C 0.298 174.864 174.600 -0.057 0.000 1.333 145 S CA 0.932 59.054 58.200 -0.129 0.000 1.052 145 S CB 2.080 65.194 63.200 -0.143 0.000 0.884 145 S HN 2.071 nan 8.310 nan 0.000 0.506 146 A N 2.004 124.729 122.820 -0.157 0.000 2.602 146 A HA 0.811 5.130 4.320 -0.002 0.000 0.290 146 A C -0.753 176.801 177.584 -0.050 0.000 1.114 146 A CA -1.145 50.801 52.037 -0.151 0.000 0.683 146 A CB 0.830 19.535 19.000 -0.492 0.000 1.281 146 A HN 1.294 nan 8.150 nan 0.000 0.416 147 F N -0.796 119.183 119.950 0.048 0.000 2.557 147 F HA 0.878 5.404 4.527 -0.002 0.000 0.336 147 F C -0.613 175.319 175.800 0.221 0.000 1.058 147 F CA -1.304 56.718 58.000 0.036 0.000 0.988 147 F CB 1.290 40.351 39.000 0.102 0.000 1.275 147 F HN 0.303 nan 8.300 nan 0.000 0.488 148 V N 2.213 122.432 119.914 0.508 0.000 2.495 148 V HA 0.509 4.628 4.120 -0.002 0.000 0.298 148 V C -0.586 175.730 176.094 0.370 0.000 1.031 148 V CA -0.861 61.668 62.300 0.382 0.000 0.871 148 V CB 1.577 33.626 31.823 0.376 0.000 0.988 148 V HN 0.728 nan 8.190 nan 0.000 0.432 149 V N 3.830 123.859 119.914 0.191 0.000 2.384 149 V HA 0.811 4.930 4.120 -0.002 0.000 0.287 149 V C 0.256 176.425 176.094 0.125 0.000 1.020 149 V CA -0.403 62.007 62.300 0.183 0.000 0.850 149 V CB 1.514 33.421 31.823 0.140 0.000 0.987 149 V HN 0.996 nan 8.190 nan 0.000 0.436 150 A N 5.042 127.953 122.820 0.152 0.000 2.335 150 A HA 0.786 5.104 4.320 -0.002 0.000 0.304 150 A C -0.612 177.054 177.584 0.135 0.000 1.118 150 A CA -0.625 51.489 52.037 0.128 0.000 0.757 150 A CB 1.127 20.180 19.000 0.088 0.000 1.188 150 A HN 0.784 nan 8.150 nan 0.000 0.460 151 Q N 1.001 120.893 119.800 0.153 0.000 2.330 151 Q HA 0.667 5.006 4.340 -0.002 0.000 0.269 151 Q C -0.199 175.832 176.000 0.050 0.000 1.022 151 Q CA -0.660 55.203 55.803 0.100 0.000 0.796 151 Q CB 2.618 31.416 28.738 0.099 0.000 1.271 151 Q HN 1.035 nan 8.270 nan 0.000 0.450 152 G N 0.755 109.571 108.800 0.025 0.000 2.616 152 G HA2 0.302 4.260 3.960 -0.002 0.000 0.294 152 G HA3 0.302 4.260 3.960 -0.002 0.000 0.294 152 G C -0.899 174.001 174.900 -0.000 0.000 1.489 152 G CA -0.814 44.291 45.100 0.007 0.000 0.836 152 G HN 0.697 nan 8.290 nan 0.000 0.527 153 E N -0.747 119.448 120.200 -0.008 0.000 2.539 153 E HA -0.254 4.094 4.350 -0.002 0.000 0.253 153 E C 1.439 178.033 176.600 -0.010 0.000 1.145 153 E CA 1.357 57.751 56.400 -0.009 0.000 0.738 153 E CB -1.312 28.384 29.700 -0.007 0.000 1.308 153 E HN 2.420 nan 8.360 nan 0.000 0.409 154 G N -0.242 108.551 108.800 -0.012 0.000 2.162 154 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.260 154 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.260 154 G C 0.165 175.062 174.900 -0.006 0.000 0.976 154 G CA 0.677 45.770 45.100 -0.012 0.000 0.655 154 G HN 0.235 nan 8.290 nan 0.000 0.533 155 R N -0.423 120.077 120.500 0.000 0.000 2.854 155 R HA 0.711 5.050 4.340 -0.002 0.000 0.271 155 R C -0.950 175.362 176.300 0.020 0.000 0.996 155 R CA -0.448 55.656 56.100 0.006 0.000 0.961 155 R CB 1.708 32.011 30.300 0.004 0.000 1.182 155 R HN 0.129 nan 8.270 nan 0.000 0.479 156 T N 2.189 116.758 114.554 0.025 0.000 2.841 156 T HA 0.420 4.769 4.350 -0.002 0.000 0.285 156 T C -0.989 173.739 174.700 0.047 0.000 0.991 156 T CA -0.608 61.519 62.100 0.046 0.000 0.966 156 T CB 1.345 70.241 68.868 0.047 0.000 0.962 156 T HN 0.329 nan 8.240 nan 0.000 0.438 157 L N 4.102 125.366 121.223 0.069 0.000 2.362 157 L HA 0.890 5.229 4.340 -0.002 0.000 0.271 157 L C -1.414 175.530 176.870 0.123 0.000 1.002 157 L CA -0.596 54.290 54.840 0.076 0.000 0.818 157 L CB 1.753 43.852 42.059 0.067 0.000 1.298 157 L HN 0.456 nan 8.230 nan 0.000 0.420 158 V N 5.067 125.060 119.914 0.132 0.000 2.531 158 V HA 0.377 4.496 4.120 -0.002 0.000 0.301 158 V C -1.262 175.006 176.094 0.289 0.000 1.034 158 V CA -0.504 61.918 62.300 0.203 0.000 0.865 158 V CB 1.537 33.415 31.823 0.092 0.000 0.995 158 V HN 0.740 nan 8.190 nan 0.000 0.424 159 Y N 3.731 124.163 120.300 0.220 0.000 2.328 159 Y HA 0.362 4.910 4.550 -0.002 0.000 0.336 159 Y C 1.403 177.477 175.900 0.291 0.000 0.960 159 Y CA -0.224 57.989 58.100 0.188 0.000 1.134 159 Y CB 2.204 40.758 38.460 0.156 0.000 1.166 159 Y HN 0.747 nan 8.280 nan 0.000 0.464 160 S N 3.860 119.514 115.700 -0.077 0.000 2.428 160 S HA 0.208 4.676 4.470 -0.002 0.000 0.230 160 S C 1.313 175.590 174.600 -0.538 0.000 1.014 160 S CA 0.642 58.672 58.200 -0.283 0.000 0.957 160 S CB -0.630 62.324 63.200 -0.410 0.000 0.784 160 S HN 1.448 nan 8.310 nan 0.000 0.499 161 G N 1.726 109.854 108.800 -1.120 0.000 2.574 161 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.286 161 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.286 161 G C -0.989 173.711 174.900 -0.334 0.000 1.212 161 G CA 0.355 45.077 45.100 -0.631 0.000 0.979 161 G HN 0.519 nan 8.290 nan 0.000 0.557 162 D N 0.549 120.732 120.400 -0.362 0.000 2.256 162 D HA 0.568 5.207 4.640 -0.002 0.000 0.240 162 D C -0.081 175.848 176.300 -0.617 0.000 1.062 162 D CA -0.452 53.170 54.000 -0.631 0.000 0.832 162 D CB 1.535 41.598 40.800 -1.228 0.000 1.135 162 D HN 0.261 nan 8.370 nan 0.000 0.484 163 L N 2.242 123.144 121.223 -0.535 0.000 2.305 163 L HA 0.399 4.738 4.340 -0.002 0.000 0.281 163 L C 1.285 177.961 176.870 -0.323 0.000 1.085 163 L CA -0.134 54.411 54.840 -0.492 0.000 0.813 163 L CB 1.001 42.680 42.059 -0.632 0.000 1.157 163 L HN 0.378 nan 8.230 nan 0.000 0.436 164 G N 2.642 111.317 108.800 -0.209 0.000 2.653 164 G HA2 0.042 4.001 3.960 -0.002 0.000 0.265 164 G HA3 0.042 4.001 3.960 -0.002 0.000 0.265 164 G C -0.083 174.757 174.900 -0.099 0.000 1.237 164 G CA -0.554 44.481 45.100 -0.108 0.000 0.946 164 G HN 0.737 nan 8.290 nan 0.000 0.522 165 N N -0.640 118.004 118.700 -0.093 0.000 2.500 165 N HA 0.113 4.852 4.740 -0.002 0.000 0.236 165 N C 1.785 177.225 175.510 -0.118 0.000 1.022 165 N CA -0.517 52.485 53.050 -0.080 0.000 0.935 165 N CB 0.540 38.959 38.487 -0.115 0.000 1.147 165 N HN 0.598 nan 8.380 nan 0.000 0.512 166 R N 3.259 123.711 120.500 -0.079 0.000 2.127 166 R HA -0.147 4.191 4.340 -0.002 0.000 0.238 166 R C 0.887 177.129 176.300 -0.096 0.000 1.134 166 R CA 1.372 57.427 56.100 -0.075 0.000 0.975 166 R CB -0.141 30.140 30.300 -0.030 0.000 0.865 166 R HN 0.597 nan 8.270 nan 0.000 0.447 167 E N 1.052 121.196 120.200 -0.094 0.000 2.118 167 E HA -0.125 4.224 4.350 -0.002 0.000 0.195 167 E C 0.313 176.743 176.600 -0.282 0.000 0.992 167 E CA 1.064 57.409 56.400 -0.092 0.000 0.804 167 E CB 0.045 29.739 29.700 -0.010 0.000 0.741 167 E HN 0.406 nan 8.360 nan 0.000 0.458 168 K N 0.459 120.520 120.400 -0.566 0.000 2.185 168 K HA -0.051 4.268 4.320 -0.002 0.000 0.245 168 K C 0.449 176.779 176.600 -0.451 0.000 1.035 168 K CA 0.355 56.017 56.287 -1.042 0.000 0.847 168 K CB 0.325 32.347 32.500 -0.795 0.000 1.056 168 K HN -0.082 nan 8.250 nan 0.000 0.518 169 D N -0.532 119.698 120.400 -0.284 0.000 2.473 169 D HA -0.049 4.589 4.640 -0.002 0.000 0.230 169 D C 1.357 177.607 176.300 -0.083 0.000 1.097 169 D CA 0.211 54.190 54.000 -0.035 0.000 0.861 169 D CB 0.263 41.185 40.800 0.204 0.000 1.114 169 D HN 0.210 nan 8.370 nan 0.000 0.500 170 V N 0.326 120.159 119.914 -0.136 0.000 2.809 170 V HA 0.017 4.136 4.120 -0.002 0.000 0.256 170 V C 0.054 176.165 176.094 0.028 0.000 1.080 170 V CA 0.941 63.139 62.300 -0.170 0.000 1.102 170 V CB -0.006 31.754 31.823 -0.105 0.000 0.705 170 V HN -0.101 nan 8.190 nan 0.000 0.475 171 L N 1.799 123.007 121.223 -0.025 0.000 2.334 171 L HA 0.575 4.913 4.340 -0.002 0.000 0.273 171 L C -2.260 174.571 176.870 -0.065 0.000 1.013 171 L CA -2.216 52.603 54.840 -0.035 0.000 0.816 171 L CB 1.571 43.569 42.059 -0.101 0.000 1.278 171 L HN -0.019 nan 8.230 nan 0.000 0.431 172 P HA 0.068 nan 4.420 nan 0.000 0.269 172 P C -1.002 176.243 177.300 -0.093 0.000 1.215 172 P CA -0.422 62.627 63.100 -0.085 0.000 0.780 172 P CB 0.545 32.174 31.700 -0.117 0.000 0.898 173 D N 2.747 123.106 120.400 -0.069 0.000 2.423 173 D HA 0.155 4.794 4.640 -0.002 0.000 0.238 173 D C -2.028 174.248 176.300 -0.039 0.000 1.142 173 D CA -0.501 53.470 54.000 -0.049 0.000 0.884 173 D CB -0.967 39.820 40.800 -0.021 0.000 1.199 173 D HN 0.246 nan 8.370 nan 0.000 0.438 174 P HA 0.093 nan 4.420 nan 0.000 0.271 174 P C -0.643 176.755 177.300 0.163 0.000 1.216 174 P CA -0.262 62.869 63.100 0.052 0.000 0.776 174 P CB 0.865 32.561 31.700 -0.007 0.000 0.881 175 S N 3.129 118.989 115.700 0.266 0.000 2.586 175 S HA 0.353 4.821 4.470 -0.002 0.000 0.274 175 S C -0.081 174.766 174.600 0.412 0.000 1.281 175 S CA -0.655 57.714 58.200 0.281 0.000 1.035 175 S CB -0.082 63.263 63.200 0.241 0.000 0.962 175 S HN 0.222 nan 8.310 nan 0.000 0.512 176 L N 4.864 126.187 121.223 0.166 0.000 2.436 176 L HA 0.413 4.752 4.340 -0.002 0.000 0.265 176 L C -1.590 175.145 176.870 -0.226 0.000 1.168 176 L CA -1.740 53.025 54.840 -0.126 0.000 0.815 176 L CB 0.444 42.413 42.059 -0.150 0.000 1.109 176 L HN 0.612 nan 8.230 nan 0.000 0.462 177 P HA 0.303 nan 4.420 nan 0.000 0.278 177 P C -2.682 174.438 177.300 -0.300 0.000 1.258 177 P CA -1.435 61.288 63.100 -0.629 0.000 0.811 177 P CB 0.377 31.309 31.700 -1.280 0.000 1.063 178 P HA 0.205 nan 4.420 nan 0.000 0.278 178 P C -0.356 176.883 177.300 -0.102 0.000 1.258 178 P CA -0.600 62.469 63.100 -0.051 0.000 0.811 178 P CB 0.551 32.284 31.700 0.055 0.000 1.063 179 L N 1.204 122.383 121.223 -0.073 0.000 2.534 179 L HA 0.363 4.702 4.340 -0.002 0.000 0.271 179 L C -0.251 176.590 176.870 -0.048 0.000 1.178 179 L CA 0.401 55.196 54.840 -0.075 0.000 0.907 179 L CB -0.849 41.180 42.059 -0.050 0.000 1.164 179 L HN 0.538 nan 8.230 nan 0.000 0.482 180 A N 3.964 126.749 122.820 -0.059 0.000 2.380 180 A HA 0.495 4.814 4.320 -0.002 0.000 0.315 180 A C 0.529 178.100 177.584 -0.021 0.000 1.101 180 A CA -0.599 51.423 52.037 -0.026 0.000 0.771 180 A CB 0.767 19.755 19.000 -0.021 0.000 1.287 180 A HN 0.756 nan 8.150 nan 0.000 0.436 181 D N -0.413 119.983 120.400 -0.006 0.000 2.178 181 D HA 0.012 4.650 4.640 -0.002 0.000 0.202 181 D C 0.034 176.331 176.300 -0.006 0.000 0.974 181 D CA 1.708 55.705 54.000 -0.006 0.000 0.841 181 D CB 0.070 40.870 40.800 -0.001 0.000 0.953 181 D HN 0.311 nan 8.370 nan 0.000 0.478 182 L N -0.041 121.183 121.223 0.001 0.000 2.493 182 L HA 0.338 4.677 4.340 -0.002 0.000 0.265 182 L C -1.640 175.242 176.870 0.019 0.000 0.954 182 L CA -0.712 54.131 54.840 0.005 0.000 0.844 182 L CB 2.460 44.522 42.059 0.004 0.000 1.302 182 L HN -0.337 nan 8.230 nan 0.000 0.405 183 V N 5.336 125.263 119.914 0.022 0.000 2.407 183 V HA 0.466 4.584 4.120 -0.002 0.000 0.291 183 V C -0.585 175.558 176.094 0.083 0.000 1.018 183 V CA -0.545 61.789 62.300 0.057 0.000 0.842 183 V CB 1.520 33.360 31.823 0.029 0.000 0.996 183 V HN 0.663 nan 8.190 nan 0.000 0.426 184 L N 5.503 126.798 121.223 0.120 0.000 2.259 184 L HA 0.835 5.174 4.340 -0.002 0.000 0.288 184 L C 0.262 177.251 176.870 0.198 0.000 1.051 184 L CA 0.270 55.167 54.840 0.095 0.000 0.824 184 L CB 0.492 42.556 42.059 0.008 0.000 1.206 184 L HN 0.797 nan 8.230 nan 0.000 0.429 185 A N 4.028 126.935 122.820 0.145 0.000 2.384 185 A HA 0.761 5.080 4.320 -0.002 0.000 0.312 185 A C -0.758 176.885 177.584 0.098 0.000 1.113 185 A CA -0.686 51.432 52.037 0.136 0.000 0.779 185 A CB 1.052 20.155 19.000 0.171 0.000 1.307 185 A HN 0.750 nan 8.150 nan 0.000 0.436 186 E N -0.176 120.045 120.200 0.035 0.000 2.318 186 E HA 0.575 4.924 4.350 -0.002 0.000 0.265 186 E C 0.359 176.982 176.600 0.038 0.000 1.069 186 E CA -0.131 56.300 56.400 0.051 0.000 0.893 186 E CB 1.185 30.833 29.700 -0.088 0.000 1.076 186 E HN 0.739 nan 8.360 nan 0.000 0.414 187 G N 1.194 110.033 108.800 0.065 0.000 4.773 187 G HA2 0.036 3.995 3.960 -0.002 0.000 0.269 187 G HA3 0.036 3.995 3.960 -0.002 0.000 0.269 187 G C 0.567 175.474 174.900 0.011 0.000 0.992 187 G CA 0.042 45.166 45.100 0.040 0.000 0.775 187 G HN 0.511 nan 8.290 nan 0.000 0.471 188 T N 0.415 114.967 114.554 -0.003 0.000 2.624 188 T HA -0.278 4.071 4.350 -0.002 0.000 0.266 188 T C 1.151 175.679 174.700 -0.287 0.000 1.050 188 T CA 1.540 63.542 62.100 -0.164 0.000 1.163 188 T CB -0.265 68.397 68.868 -0.342 0.000 0.861 188 T HN 0.375 nan 8.240 nan 0.000 0.443 189 Y N 0.690 120.937 120.300 -0.088 0.000 2.774 189 Y HA 0.498 5.047 4.550 -0.002 0.000 0.305 189 Y C 1.742 177.599 175.900 -0.071 0.000 1.067 189 Y CA -0.993 57.061 58.100 -0.078 0.000 1.304 189 Y CB 0.048 38.440 38.460 -0.113 0.000 1.209 189 Y HN 0.212 nan 8.280 nan 0.000 0.543 190 G N -0.096 108.728 108.800 0.040 0.000 2.882 190 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.206 190 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.206 190 G C 1.071 175.985 174.900 0.023 0.000 1.155 190 G CA 0.858 45.977 45.100 0.031 0.000 0.800 190 G HN 0.483 nan 8.290 nan 0.000 0.524 191 D N -0.374 120.042 120.400 0.025 0.000 2.388 191 D HA 0.108 4.746 4.640 -0.002 0.000 0.208 191 D C 1.022 177.346 176.300 0.041 0.000 1.035 191 D CA -0.005 54.010 54.000 0.026 0.000 0.875 191 D CB 0.367 41.176 40.800 0.015 0.000 0.984 191 D HN 0.449 nan 8.370 nan 0.000 0.508 192 R N -1.630 118.902 120.500 0.054 0.000 2.828 192 R HA 0.454 4.793 4.340 -0.002 0.000 0.280 192 R C -3.157 173.135 176.300 -0.015 0.000 1.020 192 R CA -1.270 54.854 56.100 0.040 0.000 0.855 192 R CB -0.472 29.868 30.300 0.067 0.000 1.278 192 R HN -0.220 nan 8.270 nan 0.000 0.495 193 P HA 0.294 nan 4.420 nan 0.000 0.278 193 P C -0.775 176.451 177.300 -0.123 0.000 1.258 193 P CA -0.314 62.704 63.100 -0.137 0.000 0.811 193 P CB 0.635 32.308 31.700 -0.044 0.000 1.063 194 H N 0.249 119.313 119.070 -0.010 0.000 2.534 194 H HA 0.298 4.853 4.556 -0.002 0.000 0.364 194 H C 0.891 176.239 175.328 0.034 0.000 1.328 194 H CA -0.176 55.867 56.048 -0.008 0.000 1.415 194 H CB 0.536 30.253 29.762 -0.076 0.000 1.573 194 H HN 0.257 nan 8.280 nan 0.000 0.601 195 R N 1.353 121.976 120.500 0.205 0.000 2.438 195 R HA 0.156 4.495 4.340 -0.002 0.000 0.287 195 R C -2.270 174.103 176.300 0.122 0.000 1.077 195 R CA -1.587 54.595 56.100 0.137 0.000 1.034 195 R CB -0.114 30.263 30.300 0.129 0.000 0.993 195 R HN 0.336 nan 8.270 nan 0.000 0.459 196 P HA -0.175 nan 4.420 nan 0.000 0.261 196 P C 0.046 177.401 177.300 0.092 0.000 1.165 196 P CA 0.678 63.832 63.100 0.090 0.000 0.759 196 P CB 0.209 31.947 31.700 0.064 0.000 0.772 197 Y N 4.924 125.194 120.300 -0.050 0.000 2.114 197 Y HA -0.367 4.182 4.550 -0.002 0.000 0.282 197 Y C 2.229 178.069 175.900 -0.100 0.000 1.165 197 Y CA 1.345 59.369 58.100 -0.127 0.000 1.148 197 Y CB 0.014 38.398 38.460 -0.128 0.000 0.972 197 Y HN 0.246 nan 8.280 nan 0.000 0.504 198 R N 0.785 121.249 120.500 -0.059 0.000 2.223 198 R HA -0.291 4.047 4.340 -0.002 0.000 0.229 198 R C 2.167 178.373 176.300 -0.156 0.000 1.105 198 R CA 2.352 58.379 56.100 -0.121 0.000 0.880 198 R CB -1.544 28.747 30.300 -0.014 0.000 0.853 198 R HN 0.719 nan 8.270 nan 0.000 0.429 199 E N 0.123 120.281 120.200 -0.070 0.000 2.147 199 E HA -0.196 4.152 4.350 -0.002 0.000 0.199 199 E C 1.758 178.326 176.600 -0.053 0.000 1.005 199 E CA 1.899 58.272 56.400 -0.046 0.000 0.810 199 E CB -0.627 29.071 29.700 -0.003 0.000 0.736 199 E HN 0.290 nan 8.360 nan 0.000 0.460 200 T N 1.180 115.687 114.554 -0.079 0.000 2.684 200 T HA -0.142 4.207 4.350 -0.002 0.000 0.267 200 T C 2.096 176.771 174.700 -0.042 0.000 1.036 200 T CA 1.645 63.722 62.100 -0.038 0.000 1.148 200 T CB -0.357 68.453 68.868 -0.096 0.000 0.863 200 T HN 0.077 nan 8.240 nan 0.000 0.436 201 V N 1.454 121.195 119.914 -0.288 0.000 2.233 201 V HA -0.235 3.884 4.120 -0.002 0.000 0.247 201 V C 2.672 178.743 176.094 -0.038 0.000 1.050 201 V CA 1.790 63.967 62.300 -0.205 0.000 1.010 201 V CB -0.606 30.949 31.823 -0.447 0.000 0.637 201 V HN 0.375 nan 8.190 nan 0.000 0.444 202 R N -0.302 120.127 120.500 -0.119 0.000 2.094 202 R HA -0.267 4.071 4.340 -0.002 0.000 0.239 202 R C 2.452 178.726 176.300 -0.043 0.000 1.137 202 R CA 2.189 58.230 56.100 -0.099 0.000 0.943 202 R CB -0.501 29.748 30.300 -0.085 0.000 0.850 202 R HN 0.667 nan 8.270 nan 0.000 0.433 203 E N -0.029 120.169 120.200 -0.004 0.000 2.160 203 E HA -0.238 4.111 4.350 -0.002 0.000 0.195 203 E C 1.726 178.349 176.600 0.038 0.000 0.991 203 E CA 1.202 57.605 56.400 0.005 0.000 0.810 203 E CB -0.136 29.583 29.700 0.032 0.000 0.742 203 E HN 0.364 nan 8.360 nan 0.000 0.466 204 F N 0.691 120.633 119.950 -0.015 0.000 2.146 204 F HA -0.112 4.414 4.527 -0.002 0.000 0.298 204 F C 1.796 177.573 175.800 -0.038 0.000 1.096 204 F CA 0.970 58.982 58.000 0.020 0.000 1.275 204 F CB 0.051 39.163 39.000 0.185 0.000 1.008 204 F HN -0.021 nan 8.300 nan 0.000 0.480 205 L N 0.351 121.474 121.223 -0.167 0.000 2.027 205 L HA -0.194 4.145 4.340 -0.002 0.000 0.206 205 L C 2.374 179.090 176.870 -0.255 0.000 1.074 205 L CA 1.638 56.308 54.840 -0.283 0.000 0.745 205 L CB -0.930 41.015 42.059 -0.189 0.000 0.898 205 L HN 0.172 nan 8.230 nan 0.000 0.433 206 E N 0.592 120.686 120.200 -0.177 0.000 2.049 206 E HA -0.268 4.081 4.350 -0.002 0.000 0.198 206 E C 2.234 178.723 176.600 -0.185 0.000 1.007 206 E CA 1.599 57.908 56.400 -0.151 0.000 0.809 206 E CB -0.281 29.349 29.700 -0.116 0.000 0.749 206 E HN 0.489 nan 8.360 nan 0.000 0.450 207 I N 1.093 121.522 120.570 -0.235 0.000 2.335 207 I HA -0.284 3.885 4.170 -0.002 0.000 0.251 207 I C 2.373 178.344 176.117 -0.243 0.000 1.129 207 I CA 0.876 62.025 61.300 -0.251 0.000 1.402 207 I CB -0.272 37.553 38.000 -0.292 0.000 1.069 207 I HN 0.133 nan 8.210 nan 0.000 0.424 208 L N 0.279 121.295 121.223 -0.345 0.000 2.005 208 L HA -0.203 4.136 4.340 -0.002 0.000 0.207 208 L C 2.591 179.348 176.870 -0.189 0.000 1.072 208 L CA 1.598 56.247 54.840 -0.318 0.000 0.744 208 L CB -0.563 41.240 42.059 -0.427 0.000 0.895 208 L HN 0.245 nan 8.230 nan 0.000 0.433 209 E N 0.040 120.139 120.200 -0.168 0.000 2.007 209 E HA -0.276 4.073 4.350 -0.002 0.000 0.194 209 E C 2.000 178.548 176.600 -0.088 0.000 0.999 209 E CA 1.181 57.513 56.400 -0.114 0.000 0.811 209 E CB -0.090 29.548 29.700 -0.103 0.000 0.762 209 E HN 0.142 nan 8.360 nan 0.000 0.450 210 K N 0.668 121.016 120.400 -0.087 0.000 2.081 210 K HA -0.286 4.032 4.320 -0.002 0.000 0.222 210 K C 2.192 178.764 176.600 -0.047 0.000 1.055 210 K CA 2.869 59.120 56.287 -0.061 0.000 0.954 210 K CB -1.027 31.436 32.500 -0.062 0.000 0.732 210 K HN 0.351 nan 8.250 nan 0.000 0.458 211 T N -1.251 113.272 114.554 -0.053 0.000 2.732 211 T HA -0.067 4.282 4.350 -0.002 0.000 0.261 211 T C 2.132 176.809 174.700 -0.038 0.000 1.040 211 T CA 1.428 63.506 62.100 -0.037 0.000 1.145 211 T CB -0.613 68.234 68.868 -0.035 0.000 0.866 211 T HN 0.234 nan 8.240 nan 0.000 0.427 212 L N 1.308 122.500 121.223 -0.051 0.000 2.081 212 L HA -0.127 4.211 4.340 -0.002 0.000 0.212 212 L C 3.172 180.022 176.870 -0.033 0.000 1.080 212 L CA 1.432 56.247 54.840 -0.041 0.000 0.754 212 L CB -0.782 41.246 42.059 -0.053 0.000 0.893 212 L HN 0.344 nan 8.230 nan 0.000 0.433 213 S N -0.127 115.550 115.700 -0.037 0.000 2.356 213 S HA -0.246 4.222 4.470 -0.002 0.000 0.223 213 S C 1.552 176.139 174.600 -0.021 0.000 1.032 213 S CA 1.571 59.754 58.200 -0.030 0.000 1.005 213 S CB -0.366 62.815 63.200 -0.033 0.000 0.867 213 S HN 0.610 nan 8.310 nan 0.000 0.449 214 Q N 0.928 120.716 119.800 -0.020 0.000 2.265 214 Q HA 0.360 4.699 4.340 -0.002 0.000 0.217 214 Q C 0.879 176.871 176.000 -0.012 0.000 0.916 214 Q CA 0.378 56.172 55.803 -0.014 0.000 0.948 214 Q CB -0.670 28.061 28.738 -0.012 0.000 1.020 214 Q HN 0.417 nan 8.270 nan 0.000 0.462 215 G N -0.157 108.636 108.800 -0.013 0.000 2.187 215 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.261 215 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.261 215 G C 0.356 175.250 174.900 -0.010 0.000 1.000 215 G CA 0.028 45.122 45.100 -0.010 0.000 0.718 215 G HN 0.757 nan 8.290 nan 0.000 0.519 216 G N -0.842 107.951 108.800 -0.013 0.000 2.504 216 G HA2 0.586 4.545 3.960 -0.002 0.000 0.288 216 G HA3 0.586 4.545 3.960 -0.002 0.000 0.288 216 G C 0.129 175.019 174.900 -0.016 0.000 1.182 216 G CA -0.500 44.593 45.100 -0.013 0.000 0.894 216 G HN 0.435 nan 8.290 nan 0.000 0.521 217 K N -1.047 119.344 120.400 -0.016 0.000 2.132 217 K HA 0.586 4.905 4.320 -0.002 0.000 0.241 217 K C -0.916 175.667 176.600 -0.029 0.000 1.000 217 K CA -0.661 55.613 56.287 -0.021 0.000 0.911 217 K CB 2.185 34.671 32.500 -0.022 0.000 1.093 217 K HN 0.168 nan 8.250 nan 0.000 0.460 218 V N 2.932 122.825 119.914 -0.035 0.000 2.445 218 V HA 0.187 4.306 4.120 -0.002 0.000 0.283 218 V C -1.247 174.819 176.094 -0.045 0.000 1.014 218 V CA -0.847 61.429 62.300 -0.040 0.000 0.852 218 V CB 0.915 32.708 31.823 -0.051 0.000 1.021 218 V HN 0.480 nan 8.190 nan 0.000 0.435 219 L N 6.046 127.232 121.223 -0.062 0.000 2.265 219 L HA 0.555 4.894 4.340 -0.002 0.000 0.288 219 L C -0.100 176.719 176.870 -0.085 0.000 1.058 219 L CA 0.132 54.924 54.840 -0.080 0.000 0.809 219 L CB 1.085 43.102 42.059 -0.069 0.000 1.179 219 L HN 0.477 nan 8.230 nan 0.000 0.429 220 I N 5.743 126.275 120.570 -0.063 0.000 2.437 220 I HA 0.305 4.474 4.170 -0.002 0.000 0.279 220 I C -2.259 173.826 176.117 -0.055 0.000 1.028 220 I CA -1.800 59.467 61.300 -0.056 0.000 1.142 220 I CB 1.696 39.690 38.000 -0.010 0.000 1.266 220 I HN 0.387 nan 8.210 nan 0.000 0.461 221 P HA 0.123 nan 4.420 nan 0.000 0.276 221 P C -0.375 176.848 177.300 -0.129 0.000 1.253 221 P CA 0.240 63.312 63.100 -0.046 0.000 0.766 221 P CB 0.915 32.637 31.700 0.036 0.000 0.845 222 T N 0.429 114.883 114.554 -0.168 0.000 2.896 222 T HA 0.616 4.964 4.350 -0.002 0.000 0.297 222 T C -0.334 174.215 174.700 -0.251 0.000 1.108 222 T CA -0.755 61.209 62.100 -0.226 0.000 1.004 222 T CB 0.728 69.558 68.868 -0.064 0.000 1.159 222 T HN 0.020 nan 8.240 nan 0.000 0.499 223 F N 0.826 120.819 119.950 0.072 0.000 2.399 223 F HA 0.562 5.088 4.527 -0.002 0.000 0.342 223 F C 1.712 177.552 175.800 0.066 0.000 1.106 223 F CA -0.750 57.297 58.000 0.079 0.000 1.196 223 F CB 0.838 39.894 39.000 0.093 0.000 1.163 223 F HN 0.854 nan 8.300 nan 0.000 0.547 224 A N 2.234 125.198 122.820 0.241 0.000 2.167 224 A HA 0.058 4.377 4.320 -0.002 0.000 0.214 224 A C 1.815 179.468 177.584 0.115 0.000 1.151 224 A CA 0.744 52.863 52.037 0.137 0.000 0.735 224 A CB -0.599 18.467 19.000 0.110 0.000 0.802 224 A HN 0.629 nan 8.150 nan 0.000 0.467 225 V N -0.684 119.340 119.914 0.184 0.000 2.273 225 V HA -0.085 4.034 4.120 -0.002 0.000 0.242 225 V C 2.366 178.513 176.094 0.088 0.000 1.035 225 V CA 2.105 64.485 62.300 0.134 0.000 1.013 225 V CB -0.177 31.760 31.823 0.190 0.000 0.652 225 V HN 0.670 nan 8.190 nan 0.000 0.452 226 E N -0.907 119.366 120.200 0.122 0.000 2.505 226 E HA 0.024 4.373 4.350 -0.002 0.000 0.212 226 E C 2.126 178.795 176.600 0.114 0.000 0.825 226 E CA -0.070 56.396 56.400 0.109 0.000 1.333 226 E CB 0.374 30.094 29.700 0.034 0.000 1.319 226 E HN 0.236 nan 8.360 nan 0.000 0.658 227 R N 1.381 121.986 120.500 0.175 0.000 2.120 227 R HA 0.078 4.417 4.340 -0.002 0.000 0.234 227 R C 1.917 178.297 176.300 0.133 0.000 1.123 227 R CA 1.717 57.939 56.100 0.203 0.000 0.975 227 R CB -0.577 29.945 30.300 0.370 0.000 0.866 227 R HN 0.162 nan 8.270 nan 0.000 0.446 228 A N 0.789 123.668 122.820 0.097 0.000 1.832 228 A HA -0.155 4.164 4.320 -0.002 0.000 0.214 228 A C 1.693 179.288 177.584 0.018 0.000 1.200 228 A CA 1.446 53.507 52.037 0.041 0.000 0.610 228 A CB -0.616 18.396 19.000 0.021 0.000 0.842 228 A HN 0.483 nan 8.150 nan 0.000 0.444 229 Q N 0.312 120.061 119.800 -0.085 0.000 2.561 229 Q HA -0.150 4.188 4.340 -0.002 0.000 0.217 229 Q C 1.370 177.394 176.000 0.041 0.000 0.980 229 Q CA 1.466 57.172 55.803 -0.162 0.000 0.927 229 Q CB -0.462 27.870 28.738 -0.676 0.000 0.980 229 Q HN 0.901 nan 8.270 nan 0.000 0.525 230 E N 0.710 120.993 120.200 0.138 0.000 2.075 230 E HA -0.071 4.278 4.350 -0.002 0.000 0.190 230 E C 1.796 178.624 176.600 0.380 0.000 0.969 230 E CA 0.164 56.744 56.400 0.299 0.000 0.815 230 E CB 0.210 30.062 29.700 0.254 0.000 0.776 230 E HN 0.174 nan 8.360 nan 0.000 0.457 231 I N 1.825 122.536 120.570 0.235 0.000 2.264 231 I HA -0.274 3.895 4.170 -0.002 0.000 0.248 231 I C 2.428 178.715 176.117 0.283 0.000 1.111 231 I CA 1.137 62.545 61.300 0.181 0.000 1.382 231 I CB -1.038 36.971 38.000 0.014 0.000 1.060 231 I HN 0.312 nan 8.210 nan 0.000 0.418 232 L N -0.714 120.670 121.223 0.268 0.000 2.017 232 L HA -0.288 4.050 4.340 -0.002 0.000 0.208 232 L C 2.728 179.819 176.870 0.369 0.000 1.073 232 L CA 1.617 56.620 54.840 0.272 0.000 0.745 232 L CB -0.967 41.225 42.059 0.222 0.000 0.894 232 L HN 0.161 nan 8.230 nan 0.000 0.432 233 Y N 0.556 121.092 120.300 0.393 0.000 2.114 233 Y HA -0.287 4.262 4.550 -0.002 0.000 0.282 233 Y C 2.420 178.529 175.900 0.348 0.000 1.165 233 Y CA 1.970 60.304 58.100 0.389 0.000 1.148 233 Y CB -0.390 38.378 38.460 0.514 0.000 0.972 233 Y HN -0.145 nan 8.280 nan 0.000 0.504 234 V N 0.601 120.795 119.914 0.466 0.000 2.255 234 V HA -0.355 3.764 4.120 -0.002 0.000 0.247 234 V C 2.515 178.808 176.094 0.332 0.000 1.051 234 V CA 2.169 64.726 62.300 0.428 0.000 1.018 234 V CB -0.975 31.174 31.823 0.542 0.000 0.641 234 V HN 0.470 nan 8.190 nan 0.000 0.445 235 L N -1.352 120.073 121.223 0.337 0.000 2.079 235 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 235 L C 2.499 179.448 176.870 0.133 0.000 1.081 235 L CA 2.106 57.091 54.840 0.243 0.000 0.752 235 L CB -0.709 41.484 42.059 0.224 0.000 0.896 235 L HN 0.417 nan 8.230 nan 0.000 0.433 236 Y N 1.419 121.706 120.300 -0.023 0.000 2.109 236 Y HA -0.252 4.297 4.550 -0.002 0.000 0.285 236 Y C 2.899 178.670 175.900 -0.216 0.000 1.131 236 Y CA 1.928 59.951 58.100 -0.128 0.000 1.121 236 Y CB -0.630 37.724 38.460 -0.177 0.000 0.987 236 Y HN 0.244 nan 8.280 nan 0.000 0.495 237 T N -2.403 111.912 114.554 -0.397 0.000 3.155 237 T HA -0.100 4.249 4.350 -0.002 0.000 0.264 237 T C 0.568 174.886 174.700 -0.637 0.000 1.160 237 T CA 1.376 63.121 62.100 -0.592 0.000 1.075 237 T CB -0.438 68.057 68.868 -0.621 0.000 0.921 237 T HN 0.514 nan 8.240 nan 0.000 0.533 238 H N -1.056 117.900 119.070 -0.189 0.000 2.985 238 H HA 0.389 4.943 4.556 -0.003 0.000 0.246 238 H C 1.687 176.785 175.328 -0.382 0.000 1.181 238 H CA -0.037 55.852 56.048 -0.266 0.000 0.972 238 H CB 0.481 30.172 29.762 -0.118 0.000 2.016 238 H HN 0.466 nan 8.280 nan 0.000 0.672 239 G N 0.126 108.780 108.800 -0.243 0.000 2.777 239 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.211 239 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.211 239 G C 1.213 175.988 174.900 -0.209 0.000 1.149 239 G CA 0.059 45.043 45.100 -0.193 0.000 0.785 239 G HN 0.470 nan 8.290 nan 0.000 0.536 240 H N 0.316 119.315 119.070 -0.118 0.000 2.568 240 H HA 0.080 4.634 4.556 -0.003 0.000 0.281 240 H C 1.688 176.979 175.328 -0.061 0.000 1.028 240 H CA 0.939 56.925 56.048 -0.103 0.000 1.199 240 H CB -0.135 29.553 29.762 -0.123 0.000 1.352 240 H HN 0.530 nan 8.280 nan 0.000 0.605 241 R N -0.365 119.983 120.500 -0.253 0.000 2.504 241 R HA 0.289 4.627 4.340 -0.002 0.000 0.396 241 R C -0.943 175.280 176.300 -0.129 0.000 0.896 241 R CA -0.364 55.657 56.100 -0.131 0.000 1.152 241 R CB -0.038 30.183 30.300 -0.132 0.000 1.681 241 R HN 0.151 nan 8.270 nan 0.000 0.537 242 L N 3.571 124.713 121.223 -0.136 0.000 2.307 242 L HA 0.524 4.863 4.340 -0.002 0.000 0.282 242 L C -1.900 174.925 176.870 -0.075 0.000 1.051 242 L CA -2.374 52.400 54.840 -0.110 0.000 0.804 242 L CB 1.497 43.488 42.059 -0.113 0.000 1.197 242 L HN -0.081 nan 8.230 nan 0.000 0.431 243 P HA 0.026 nan 4.420 nan 0.000 0.266 243 P C -0.747 176.531 177.300 -0.038 0.000 1.215 243 P CA -0.441 62.631 63.100 -0.047 0.000 0.763 243 P CB 0.360 32.033 31.700 -0.046 0.000 0.806 244 R N 2.418 122.901 120.500 -0.029 0.000 2.526 244 R HA 0.245 4.583 4.340 -0.002 0.000 0.319 244 R C 0.386 176.679 176.300 -0.013 0.000 0.888 244 R CA 0.578 56.665 56.100 -0.021 0.000 1.127 244 R CB -1.010 29.280 30.300 -0.016 0.000 0.888 244 R HN 0.648 nan 8.270 nan 0.000 0.410 245 A N 5.646 128.460 122.820 -0.009 0.000 2.532 245 A HA 0.400 4.719 4.320 -0.002 0.000 0.296 245 A C -2.577 175.012 177.584 0.008 0.000 1.058 245 A CA -1.362 50.681 52.037 0.009 0.000 0.729 245 A CB 1.695 20.701 19.000 0.009 0.000 1.285 245 A HN 0.448 nan 8.150 nan 0.000 0.396 246 P HA 0.255 nan 4.420 nan 0.000 0.269 246 P C -0.491 176.760 177.300 -0.082 0.000 1.252 246 P CA 0.424 63.476 63.100 -0.080 0.000 0.780 246 P CB 0.130 31.779 31.700 -0.086 0.000 0.829 247 I N 4.839 125.338 120.570 -0.118 0.000 2.452 247 I HA 0.100 4.269 4.170 -0.002 0.000 0.287 247 I C 0.307 176.342 176.117 -0.138 0.000 1.079 247 I CA -0.331 60.948 61.300 -0.034 0.000 1.387 247 I CB -0.143 37.856 38.000 -0.002 0.000 1.404 247 I HN 0.290 nan 8.210 nan 0.000 0.522 248 Y N 6.218 126.511 120.300 -0.012 0.000 2.360 248 Y HA 0.419 4.968 4.550 -0.003 0.000 0.337 248 Y C -0.097 175.795 175.900 -0.013 0.000 1.039 248 Y CA -0.821 57.271 58.100 -0.013 0.000 1.109 248 Y CB 1.576 40.017 38.460 -0.032 0.000 1.201 248 Y HN 0.384 nan 8.280 nan 0.000 0.458 249 L N 4.158 125.462 121.223 0.135 0.000 2.506 249 L HA 0.352 4.691 4.340 -0.002 0.000 0.247 249 L C -0.228 176.709 176.870 0.111 0.000 1.141 249 L CA -0.282 54.611 54.840 0.088 0.000 0.973 249 L CB 0.028 42.115 42.059 0.046 0.000 1.319 249 L HN 0.554 nan 8.230 nan 0.000 0.455 250 D N 1.708 122.182 120.400 0.124 0.000 2.885 250 D HA 0.103 4.741 4.640 -0.002 0.000 0.234 250 D C -0.625 175.746 176.300 0.119 0.000 1.129 250 D CA 0.546 54.634 54.000 0.147 0.000 0.991 250 D CB 0.055 40.975 40.800 0.200 0.000 1.137 250 D HN 0.349 nan 8.370 nan 0.000 0.459 251 S N 1.115 116.869 115.700 0.090 0.000 2.680 251 S HA 0.360 4.828 4.470 -0.002 0.000 0.262 251 S C -2.183 172.451 174.600 0.056 0.000 1.138 251 S CA -1.077 57.166 58.200 0.072 0.000 1.072 251 S CB 1.599 64.837 63.200 0.063 0.000 1.097 251 S HN -0.093 nan 8.310 nan 0.000 0.468 252 P HA -0.109 nan 4.420 nan 0.000 0.215 252 P C 1.611 178.930 177.300 0.031 0.000 1.153 252 P CA 0.864 63.984 63.100 0.034 0.000 0.853 252 P CB 0.076 31.788 31.700 0.020 0.000 0.788 253 M N 0.116 119.740 119.600 0.040 0.000 2.065 253 M HA -0.124 4.354 4.480 -0.002 0.000 0.259 253 M C 1.969 178.288 176.300 0.031 0.000 1.069 253 M CA 2.247 57.573 55.300 0.044 0.000 1.110 253 M CB -1.290 31.349 32.600 0.064 0.000 1.328 253 M HN -0.140 nan 8.290 nan 0.000 0.405 254 A N -0.540 122.299 122.820 0.031 0.000 2.070 254 A HA 0.053 4.372 4.320 -0.002 0.000 0.220 254 A C 2.262 179.827 177.584 -0.030 0.000 1.159 254 A CA 1.658 53.695 52.037 0.000 0.000 0.656 254 A CB -1.721 17.288 19.000 0.014 0.000 0.800 254 A HN 0.679 nan 8.150 nan 0.000 0.453 255 G N -0.526 108.273 108.800 -0.003 0.000 2.404 255 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.214 255 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.214 255 G C 1.737 176.632 174.900 -0.009 0.000 1.189 255 G CA 0.687 45.784 45.100 -0.004 0.000 0.789 255 G HN 0.532 nan 8.290 nan 0.000 0.533 256 R N -0.143 120.360 120.500 0.005 0.000 2.105 256 R HA -0.057 4.282 4.340 -0.002 0.000 0.239 256 R C 2.647 178.952 176.300 0.008 0.000 1.135 256 R CA 1.225 57.334 56.100 0.014 0.000 0.967 256 R CB -0.482 29.832 30.300 0.023 0.000 0.861 256 R HN 0.322 nan 8.270 nan 0.000 0.442 257 V N 1.310 121.212 119.914 -0.021 0.000 2.307 257 V HA -0.221 3.897 4.120 -0.002 0.000 0.245 257 V C 2.192 178.193 176.094 -0.156 0.000 1.045 257 V CA 1.477 63.748 62.300 -0.048 0.000 1.024 257 V CB -0.519 31.254 31.823 -0.084 0.000 0.651 257 V HN 0.256 nan 8.190 nan 0.000 0.449 258 L N 0.471 121.554 121.223 -0.233 0.000 2.127 258 L HA -0.132 4.207 4.340 -0.002 0.000 0.211 258 L C 2.267 179.115 176.870 -0.037 0.000 1.089 258 L CA 2.063 56.738 54.840 -0.275 0.000 0.757 258 L CB -0.673 41.287 42.059 -0.164 0.000 0.899 258 L HN 0.278 nan 8.230 nan 0.000 0.434 259 S N -0.919 114.792 115.700 0.018 0.000 2.489 259 S HA 0.001 4.470 4.470 -0.002 0.000 0.228 259 S C 1.613 176.294 174.600 0.136 0.000 0.995 259 S CA 0.926 59.174 58.200 0.080 0.000 0.934 259 S CB -0.177 63.056 63.200 0.056 0.000 0.771 259 S HN 0.441 nan 8.310 nan 0.000 0.522 260 L N 0.014 121.335 121.223 0.164 0.000 2.354 260 L HA 0.317 4.655 4.340 -0.002 0.000 0.212 260 L C 1.555 178.635 176.870 0.350 0.000 1.091 260 L CA 1.056 56.023 54.840 0.211 0.000 0.828 260 L CB -0.588 41.573 42.059 0.171 0.000 0.973 260 L HN 0.272 nan 8.230 nan 0.000 0.461 261 Y N 0.663 121.073 120.300 0.183 0.000 2.181 261 Y HA -0.256 4.293 4.550 -0.002 0.000 0.284 261 Y C -0.410 175.734 175.900 0.406 0.000 1.179 261 Y CA 1.277 59.581 58.100 0.341 0.000 1.179 261 Y CB -1.262 37.338 38.460 0.232 0.000 0.973 261 Y HN 0.314 nan 8.280 nan 0.000 0.519 262 P HA -0.118 nan 4.420 nan 0.000 0.226 262 P C 0.971 178.382 177.300 0.184 0.000 1.153 262 P CA 1.358 64.709 63.100 0.418 0.000 0.777 262 P CB -0.016 31.924 31.700 0.401 0.000 0.794 263 R N -0.442 120.167 120.500 0.182 0.000 2.334 263 R HA 0.150 4.488 4.340 -0.002 0.000 0.216 263 R C 0.095 176.452 176.300 0.095 0.000 0.905 263 R CA 0.251 56.419 56.100 0.112 0.000 1.064 263 R CB -0.022 30.343 30.300 0.109 0.000 1.046 263 R HN 0.063 nan 8.270 nan 0.000 0.508 264 L N 0.192 121.488 121.223 0.122 0.000 3.288 264 L HA 0.126 4.465 4.340 -0.002 0.000 0.293 264 L C 1.085 178.004 176.870 0.081 0.000 1.294 264 L CA 0.165 55.073 54.840 0.114 0.000 1.006 264 L CB 0.757 42.799 42.059 -0.029 0.000 1.407 264 L HN -0.100 nan 8.230 nan 0.000 0.592 265 V N 1.420 121.307 119.914 -0.044 0.000 2.278 265 V HA -0.325 3.794 4.120 -0.002 0.000 0.251 265 V C 2.595 178.643 176.094 -0.077 0.000 1.062 265 V CA 2.576 64.755 62.300 -0.202 0.000 1.038 265 V CB -0.102 31.466 31.823 -0.425 0.000 0.646 265 V HN 0.779 nan 8.190 nan 0.000 0.447 266 R N -1.586 118.804 120.500 -0.182 0.000 2.241 266 R HA -0.138 4.201 4.340 -0.002 0.000 0.224 266 R C 1.853 177.943 176.300 -0.349 0.000 1.101 266 R CA 1.952 57.888 56.100 -0.274 0.000 0.995 266 R CB -0.748 29.324 30.300 -0.381 0.000 0.870 266 R HN 0.605 nan 8.270 nan 0.000 0.463 267 Y N 0.013 120.149 120.300 -0.274 0.000 2.511 267 Y HA 0.226 4.775 4.550 -0.002 0.000 0.279 267 Y C 0.353 175.943 175.900 -0.518 0.000 1.157 267 Y CA -0.349 57.517 58.100 -0.390 0.000 1.300 267 Y CB 0.131 38.276 38.460 -0.525 0.000 1.052 267 Y HN -0.128 nan 8.280 nan 0.000 0.529 268 F N -0.507 119.416 119.950 -0.045 0.000 2.375 268 F HA 0.323 4.848 4.527 -0.002 0.000 0.317 268 F C 1.191 176.948 175.800 -0.072 0.000 1.124 268 F CA -1.330 56.632 58.000 -0.064 0.000 1.050 268 F CB 0.247 39.240 39.000 -0.011 0.000 1.314 268 F HN -0.261 nan 8.300 nan 0.000 0.511 269 S N -0.154 115.632 115.700 0.144 0.000 2.617 269 S HA 0.087 4.555 4.470 -0.002 0.000 0.255 269 S C 0.922 175.542 174.600 0.034 0.000 1.318 269 S CA -0.577 57.643 58.200 0.033 0.000 0.978 269 S CB 0.619 63.817 63.200 -0.003 0.000 0.961 269 S HN 0.579 nan 8.310 nan 0.000 0.582 270 E N 0.777 120.980 120.200 0.005 0.000 2.047 270 E HA -0.149 4.200 4.350 -0.002 0.000 0.191 270 E C 1.985 178.580 176.600 -0.009 0.000 0.987 270 E CA 1.370 57.774 56.400 0.007 0.000 0.799 270 E CB -0.727 28.976 29.700 0.005 0.000 0.752 270 E HN 0.909 nan 8.360 nan 0.000 0.449 271 E N 0.591 120.773 120.200 -0.030 0.000 2.187 271 E HA -0.186 4.163 4.350 -0.002 0.000 0.199 271 E C 1.918 178.339 176.600 -0.298 0.000 1.004 271 E CA 1.409 57.752 56.400 -0.095 0.000 0.813 271 E CB 0.194 29.884 29.700 -0.017 0.000 0.736 271 E HN 0.030 nan 8.360 nan 0.000 0.468 272 V N 0.587 120.400 119.914 -0.168 0.000 2.649 272 V HA -0.163 3.955 4.120 -0.002 0.000 0.248 272 V C 2.122 178.293 176.094 0.127 0.000 1.054 272 V CA 1.518 63.734 62.300 -0.140 0.000 1.073 272 V CB -0.287 31.491 31.823 -0.074 0.000 0.699 272 V HN 0.265 nan 8.190 nan 0.000 0.463 273 Q N -0.266 119.609 119.800 0.125 0.000 2.435 273 Q HA 0.042 4.381 4.340 -0.002 0.000 0.207 273 Q C 2.230 178.329 176.000 0.166 0.000 0.956 273 Q CA 1.047 56.953 55.803 0.172 0.000 0.917 273 Q CB -0.091 28.691 28.738 0.074 0.000 0.997 273 Q HN 0.688 nan 8.270 nan 0.000 0.497 274 A N 0.267 123.144 122.820 0.095 0.000 1.878 274 A HA -0.124 4.195 4.320 -0.002 0.000 0.213 274 A C 1.442 179.161 177.584 0.225 0.000 1.192 274 A CA 0.888 53.002 52.037 0.128 0.000 0.619 274 A CB -0.616 18.449 19.000 0.108 0.000 0.837 274 A HN 0.406 nan 8.150 nan 0.000 0.446 275 H N -2.619 116.493 119.070 0.070 0.000 2.457 275 H HA -0.053 4.502 4.556 -0.002 0.000 0.294 275 H C 1.641 176.914 175.328 -0.092 0.000 1.064 275 H CA 1.049 57.081 56.048 -0.028 0.000 1.330 275 H CB -0.084 29.627 29.762 -0.084 0.000 1.395 275 H HN 0.521 nan 8.280 nan 0.000 0.541 276 F N 0.126 120.123 119.950 0.079 0.000 2.293 276 F HA -0.099 4.427 4.527 -0.002 0.000 0.297 276 F C 2.205 178.030 175.800 0.042 0.000 1.089 276 F CA 0.372 58.391 58.000 0.033 0.000 1.377 276 F CB -0.095 38.917 39.000 0.020 0.000 1.051 276 F HN 0.077 nan 8.300 nan 0.000 0.511 277 L N 0.241 121.603 121.223 0.231 0.000 2.046 277 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 277 L C 1.742 178.673 176.870 0.101 0.000 1.077 277 L CA 1.795 56.721 54.840 0.144 0.000 0.747 277 L CB -0.780 41.347 42.059 0.113 0.000 0.896 277 L HN 0.136 nan 8.230 nan 0.000 0.432 278 Q N 0.152 120.006 119.800 0.089 0.000 2.408 278 Q HA 0.155 4.494 4.340 -0.002 0.000 0.214 278 Q C 0.882 176.900 176.000 0.030 0.000 0.957 278 Q CA 0.466 56.299 55.803 0.049 0.000 0.965 278 Q CB -0.583 28.175 28.738 0.034 0.000 0.991 278 Q HN 0.623 nan 8.270 nan 0.000 0.505 279 G N 1.905 110.734 108.800 0.048 0.000 2.366 279 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.299 279 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.299 279 G C -0.437 174.456 174.900 -0.012 0.000 1.020 279 G CA 0.508 45.629 45.100 0.034 0.000 1.026 279 G HN 0.290 nan 8.290 nan 0.000 0.512 280 K N -0.435 119.923 120.400 -0.069 0.000 2.523 280 K HA 0.260 4.579 4.320 -0.002 0.000 0.257 280 K C -0.928 175.439 176.600 -0.389 0.000 0.932 280 K CA -1.080 55.111 56.287 -0.161 0.000 0.812 280 K CB 1.381 33.819 32.500 -0.104 0.000 1.326 280 K HN 0.055 nan 8.250 nan 0.000 0.433 281 N N 4.181 122.621 118.700 -0.434 0.000 2.469 281 N HA 0.107 4.846 4.740 -0.002 0.000 0.239 281 N C -1.831 173.212 175.510 -0.779 0.000 1.053 281 N CA -1.746 50.929 53.050 -0.625 0.000 0.937 281 N CB 0.885 39.202 38.487 -0.285 0.000 1.163 281 N HN 0.323 nan 8.380 nan 0.000 0.509 282 P HA -0.018 nan 4.420 nan 0.000 0.244 282 P C 0.141 177.038 177.300 -0.672 0.000 1.211 282 P CA 0.506 63.104 63.100 -0.838 0.000 0.760 282 P CB -0.103 31.409 31.700 -0.313 0.000 0.961 283 F N -0.348 119.451 119.950 -0.252 0.000 2.678 283 F HA 0.273 4.799 4.527 -0.002 0.000 0.305 283 F C 1.465 177.178 175.800 -0.145 0.000 1.090 283 F CA -0.255 57.703 58.000 -0.070 0.000 1.272 283 F CB 0.198 39.212 39.000 0.023 0.000 1.060 283 F HN -0.254 nan 8.300 nan 0.000 0.576 284 R N 2.114 122.505 120.500 -0.181 0.000 2.664 284 R HA 0.263 4.601 4.340 -0.002 0.000 0.281 284 R C -2.630 173.530 176.300 -0.232 0.000 1.383 284 R CA -1.400 54.608 56.100 -0.153 0.000 1.563 284 R CB 0.363 30.584 30.300 -0.131 0.000 1.131 284 R HN -0.014 nan 8.270 nan 0.000 0.599 285 P HA 0.023 nan 4.420 nan 0.000 0.271 285 P C -0.281 177.074 177.300 0.093 0.000 1.244 285 P CA -0.266 62.932 63.100 0.163 0.000 0.793 285 P CB 0.731 32.567 31.700 0.227 0.000 0.984 286 A N 0.476 123.379 122.820 0.138 0.000 2.522 286 A HA 0.426 4.744 4.320 -0.002 0.000 0.256 286 A C 1.431 179.018 177.584 0.005 0.000 1.086 286 A CA 0.764 52.832 52.037 0.052 0.000 0.763 286 A CB -1.516 17.511 19.000 0.044 0.000 1.024 286 A HN 0.895 nan 8.150 nan 0.000 0.502 287 G N 1.235 110.018 108.800 -0.029 0.000 2.254 287 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.225 287 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.225 287 G C 0.304 175.129 174.900 -0.126 0.000 1.003 287 G CA 0.076 45.131 45.100 -0.074 0.000 0.622 287 G HN 1.771 nan 8.290 nan 0.000 0.507 288 L N 1.421 122.593 121.223 -0.085 0.000 2.667 288 L HA 0.480 4.819 4.340 -0.002 0.000 0.296 288 L C 0.151 176.935 176.870 -0.144 0.000 1.252 288 L CA 0.898 55.679 54.840 -0.098 0.000 0.891 288 L CB 0.609 42.642 42.059 -0.044 0.000 1.141 288 L HN 0.389 nan 8.230 nan 0.000 0.501 289 E N 3.167 123.252 120.200 -0.191 0.000 2.265 289 E HA 0.408 4.756 4.350 -0.002 0.000 0.262 289 E C -1.478 175.092 176.600 -0.049 0.000 0.889 289 E CA -0.511 55.781 56.400 -0.180 0.000 0.789 289 E CB 1.493 30.935 29.700 -0.430 0.000 1.221 289 E HN 0.376 nan 8.360 nan 0.000 0.414 290 V N 5.311 125.225 119.914 0.000 0.000 2.322 290 V HA 0.195 4.313 4.120 -0.002 0.000 0.258 290 V C -0.128 176.016 176.094 0.083 0.000 1.074 290 V CA -0.698 61.627 62.300 0.042 0.000 0.909 290 V CB 0.842 32.684 31.823 0.032 0.000 1.090 290 V HN 0.527 nan 8.190 nan 0.000 0.486 291 V N 5.855 125.843 119.914 0.124 0.000 2.479 291 V HA 0.175 4.294 4.120 -0.002 0.000 0.281 291 V C 0.975 177.145 176.094 0.127 0.000 1.031 291 V CA 0.038 62.429 62.300 0.152 0.000 1.038 291 V CB 0.782 32.719 31.823 0.190 0.000 0.981 291 V HN 0.837 nan 8.190 nan 0.000 0.478 292 E N 2.816 123.106 120.200 0.150 0.000 2.068 292 E HA 0.130 4.479 4.350 -0.002 0.000 0.201 292 E C 0.357 177.015 176.600 0.096 0.000 0.947 292 E CA 0.275 56.747 56.400 0.120 0.000 0.909 292 E CB -0.201 29.602 29.700 0.173 0.000 1.015 292 E HN 0.795 nan 8.360 nan 0.000 0.484 293 H N 0.774 119.868 119.070 0.040 0.000 2.836 293 H HA 0.048 4.602 4.556 -0.002 0.000 0.368 293 H C 1.327 176.672 175.328 0.030 0.000 1.164 293 H CA 0.919 56.985 56.048 0.031 0.000 1.425 293 H CB 0.340 30.116 29.762 0.023 0.000 1.414 293 H HN 0.045 nan 8.280 nan 0.000 0.614 294 T N 1.113 115.746 114.554 0.132 0.000 2.951 294 T HA -0.111 4.237 4.350 -0.002 0.000 0.268 294 T C 1.509 176.232 174.700 0.038 0.000 1.073 294 T CA 1.240 63.378 62.100 0.063 0.000 1.134 294 T CB -0.021 68.865 68.868 0.030 0.000 0.884 294 T HN 0.503 nan 8.240 nan 0.000 0.479 295 E N 2.005 122.243 120.200 0.063 0.000 2.023 295 E HA -0.038 4.311 4.350 -0.002 0.000 0.196 295 E C 2.454 179.060 176.600 0.011 0.000 1.003 295 E CA 1.402 57.812 56.400 0.018 0.000 0.809 295 E CB -0.686 29.022 29.700 0.012 0.000 0.755 295 E HN 0.479 nan 8.360 nan 0.000 0.449 296 A N 0.238 123.083 122.820 0.042 0.000 2.019 296 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 296 A C 2.276 179.891 177.584 0.052 0.000 1.164 296 A CA 1.824 53.890 52.037 0.048 0.000 0.644 296 A CB -0.670 18.378 19.000 0.079 0.000 0.805 296 A HN 0.232 nan 8.150 nan 0.000 0.449 297 S N -0.838 114.897 115.700 0.058 0.000 2.406 297 S HA -0.098 4.371 4.470 -0.002 0.000 0.228 297 S C 1.996 176.580 174.600 -0.026 0.000 1.020 297 S CA 1.261 59.496 58.200 0.059 0.000 0.965 297 S CB -0.192 63.050 63.200 0.071 0.000 0.798 297 S HN 0.484 nan 8.310 nan 0.000 0.488 298 K N 1.446 121.804 120.400 -0.071 0.000 2.103 298 K HA 0.205 4.523 4.320 -0.002 0.000 0.204 298 K C 2.280 178.821 176.600 -0.098 0.000 1.052 298 K CA 1.047 57.254 56.287 -0.132 0.000 0.945 298 K CB -0.952 31.470 32.500 -0.130 0.000 0.722 298 K HN 0.417 nan 8.250 nan 0.000 0.443 299 A N 1.500 124.284 122.820 -0.060 0.000 2.076 299 A HA -0.110 4.209 4.320 -0.002 0.000 0.220 299 A C 2.128 179.671 177.584 -0.069 0.000 1.160 299 A CA 1.108 53.112 52.037 -0.055 0.000 0.653 299 A CB -0.622 18.362 19.000 -0.026 0.000 0.801 299 A HN 0.192 nan 8.150 nan 0.000 0.455 300 L N -0.555 120.629 121.223 -0.066 0.000 2.313 300 L HA -0.071 4.267 4.340 -0.002 0.000 0.214 300 L C 1.690 178.538 176.870 -0.038 0.000 1.119 300 L CA 0.451 55.231 54.840 -0.099 0.000 0.809 300 L CB -0.522 41.485 42.059 -0.088 0.000 0.933 300 L HN 0.367 nan 8.230 nan 0.000 0.449 301 N N 0.627 119.298 118.700 -0.050 0.000 2.459 301 N HA -0.080 4.658 4.740 -0.002 0.000 0.181 301 N C 1.726 177.139 175.510 -0.163 0.000 1.046 301 N CA 0.816 53.818 53.050 -0.079 0.000 0.904 301 N CB 0.156 38.552 38.487 -0.152 0.000 0.964 301 N HN 0.495 nan 8.380 nan 0.000 0.444 302 R N 0.651 121.069 120.500 -0.136 0.000 2.121 302 R HA 0.283 4.622 4.340 -0.002 0.000 0.206 302 R C 0.802 177.053 176.300 -0.081 0.000 1.094 302 R CA 0.058 56.083 56.100 -0.125 0.000 1.055 302 R CB -0.144 30.089 30.300 -0.111 0.000 0.964 302 R HN -0.041 nan 8.270 nan 0.000 0.473 303 A N 4.634 127.410 122.820 -0.072 0.000 2.566 303 A HA 0.126 4.445 4.320 -0.002 0.000 0.245 303 A C -1.958 175.597 177.584 -0.048 0.000 1.056 303 A CA -0.817 51.188 52.037 -0.054 0.000 0.757 303 A CB -0.329 18.636 19.000 -0.059 0.000 0.979 303 A HN 0.089 nan 8.150 nan 0.000 0.508 304 P HA 0.281 nan 4.420 nan 0.000 0.276 304 P C 0.624 177.917 177.300 -0.012 0.000 1.252 304 P CA 0.065 63.153 63.100 -0.020 0.000 0.802 304 P CB 0.738 32.430 31.700 -0.014 0.000 1.035 305 G N 0.836 109.631 108.800 -0.009 0.000 2.611 305 G HA2 0.343 4.301 3.960 -0.002 0.000 0.273 305 G HA3 0.343 4.301 3.960 -0.002 0.000 0.273 305 G C -2.192 172.711 174.900 0.006 0.000 1.305 305 G CA -0.969 44.130 45.100 -0.001 0.000 1.010 305 G HN 0.464 nan 8.290 nan 0.000 0.509 306 P HA 0.350 nan 4.420 nan 0.000 0.293 306 P C -0.690 176.629 177.300 0.032 0.000 1.300 306 P CA -0.019 63.086 63.100 0.008 0.000 0.792 306 P CB 1.157 32.855 31.700 -0.004 0.000 0.925 307 M N 2.239 121.859 119.600 0.033 0.000 2.365 307 M HA 0.477 4.956 4.480 -0.002 0.000 0.287 307 M C -1.295 175.038 176.300 0.055 0.000 1.154 307 M CA -1.178 54.175 55.300 0.088 0.000 0.941 307 M CB 2.275 34.959 32.600 0.140 0.000 1.704 307 M HN 0.002 nan 8.290 nan 0.000 0.479 308 V N 1.216 121.180 119.914 0.082 0.000 2.383 308 V HA 0.825 4.943 4.120 -0.002 0.000 0.275 308 V C -0.377 175.761 176.094 0.073 0.000 1.036 308 V CA -0.551 61.776 62.300 0.046 0.000 0.889 308 V CB 0.952 32.797 31.823 0.036 0.000 0.985 308 V HN 0.738 nan 8.190 nan 0.000 0.459 309 V N 5.856 125.762 119.914 -0.013 0.000 2.628 309 V HA 0.621 4.740 4.120 -0.002 0.000 0.306 309 V C -0.431 175.628 176.094 -0.059 0.000 1.045 309 V CA -0.547 61.710 62.300 -0.072 0.000 0.905 309 V CB 1.636 33.262 31.823 -0.329 0.000 0.997 309 V HN 0.756 nan 8.190 nan 0.000 0.436 310 L N 3.941 125.149 121.223 -0.025 0.000 2.376 310 L HA 0.938 5.276 4.340 -0.002 0.000 0.275 310 L C 0.022 176.892 176.870 0.001 0.000 0.987 310 L CA -0.014 54.821 54.840 -0.009 0.000 0.828 310 L CB 1.578 43.650 42.059 0.023 0.000 1.249 310 L HN 0.907 nan 8.230 nan 0.000 0.409 311 A N 1.492 124.314 122.820 0.003 0.000 2.599 311 A HA 0.961 5.280 4.320 -0.002 0.000 0.290 311 A C -0.597 176.999 177.584 0.021 0.000 1.101 311 A CA -0.039 52.026 52.037 0.046 0.000 0.674 311 A CB 1.336 20.411 19.000 0.125 0.000 1.277 311 A HN 0.733 nan 8.150 nan 0.000 0.419 312 G N -0.623 108.200 108.800 0.039 0.000 2.932 312 G HA2 0.567 4.526 3.960 -0.002 0.000 0.283 312 G HA3 0.567 4.526 3.960 -0.002 0.000 0.283 312 G C 0.065 174.982 174.900 0.030 0.000 1.336 312 G CA 0.230 45.337 45.100 0.011 0.000 1.056 312 G HN 1.305 nan 8.290 nan 0.000 0.522 313 S N -1.414 114.299 115.700 0.021 0.000 2.563 313 S HA 0.294 4.763 4.470 -0.002 0.000 0.284 313 S C 1.848 176.406 174.600 -0.071 0.000 1.331 313 S CA 0.455 58.666 58.200 0.019 0.000 1.047 313 S CB 0.640 63.870 63.200 0.049 0.000 0.859 313 S HN 1.048 nan 8.310 nan 0.000 0.514 314 G N 3.050 111.734 108.800 -0.194 0.000 2.470 314 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.220 314 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.220 314 G C 0.843 175.462 174.900 -0.469 0.000 1.121 314 G CA 0.487 45.172 45.100 -0.691 0.000 0.766 314 G HN 0.710 nan 8.290 nan 0.000 0.553 315 M N 0.110 119.638 119.600 -0.119 0.000 2.685 315 M HA 0.385 4.864 4.480 -0.002 0.000 0.355 315 M C 0.363 176.660 176.300 -0.005 0.000 1.197 315 M CA -0.190 55.102 55.300 -0.013 0.000 0.947 315 M CB 0.538 33.219 32.600 0.135 0.000 1.346 315 M HN 0.031 nan 8.290 nan 0.000 0.516 316 L N -0.680 120.540 121.223 -0.004 0.000 4.179 316 L HA -0.343 3.996 4.340 -0.002 0.000 0.418 316 L C 1.646 178.519 176.870 0.006 0.000 1.168 316 L CA 0.323 55.170 54.840 0.011 0.000 0.972 316 L CB -1.952 40.127 42.059 0.032 0.000 2.005 316 L HN 0.535 nan 8.230 nan 0.000 0.935 317 A N -0.673 122.160 122.820 0.021 0.000 2.015 317 A HA 0.358 4.676 4.320 -0.002 0.000 0.219 317 A C 1.574 179.164 177.584 0.010 0.000 1.163 317 A CA 2.132 54.186 52.037 0.027 0.000 0.646 317 A CB -0.087 18.948 19.000 0.057 0.000 0.806 317 A HN 0.824 nan 8.150 nan 0.000 0.448 318 G N -3.523 105.278 108.800 0.002 0.000 2.725 318 G HA2 0.537 4.496 3.960 -0.002 0.000 0.098 318 G HA3 0.537 4.496 3.960 -0.002 0.000 0.098 318 G C 0.679 175.563 174.900 -0.027 0.000 1.188 318 G CA 0.557 45.644 45.100 -0.021 0.000 1.237 318 G HN 1.845 nan 8.290 nan 0.000 0.596 319 G N -0.467 108.328 108.800 -0.008 0.000 2.806 319 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.236 319 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.236 319 G C 0.717 175.613 174.900 -0.007 0.000 1.387 319 G CA 0.749 45.858 45.100 0.016 0.000 0.884 319 G HN 0.919 nan 8.290 nan 0.000 0.560 320 R N -0.729 119.816 120.500 0.075 0.000 2.193 320 R HA 0.102 4.441 4.340 -0.002 0.000 0.213 320 R C 2.643 179.022 176.300 0.132 0.000 1.055 320 R CA 0.961 57.149 56.100 0.146 0.000 0.995 320 R CB -0.184 30.239 30.300 0.204 0.000 0.893 320 R HN 0.483 nan 8.270 nan 0.000 0.459 321 I N 1.448 122.098 120.570 0.134 0.000 2.399 321 I HA -0.256 3.913 4.170 -0.002 0.000 0.254 321 I C 1.641 177.804 176.117 0.075 0.000 1.146 321 I CA 1.444 62.838 61.300 0.157 0.000 1.412 321 I CB -0.033 38.009 38.000 0.071 0.000 1.076 321 I HN 0.134 nan 8.210 nan 0.000 0.432 322 L N -0.743 120.451 121.223 -0.048 0.000 2.056 322 L HA -0.214 4.125 4.340 -0.002 0.000 0.207 322 L C 2.602 179.382 176.870 -0.149 0.000 1.078 322 L CA 1.105 55.868 54.840 -0.129 0.000 0.749 322 L CB -1.111 40.810 42.059 -0.229 0.000 0.901 322 L HN 0.327 nan 8.230 nan 0.000 0.433 323 H N -0.757 118.257 119.070 -0.093 0.000 2.352 323 H HA -0.153 4.402 4.556 -0.002 0.000 0.299 323 H C 2.333 177.573 175.328 -0.146 0.000 1.097 323 H CA 1.454 57.407 56.048 -0.159 0.000 1.311 323 H CB -0.313 29.315 29.762 -0.224 0.000 1.377 323 H HN 0.438 nan 8.280 nan 0.000 0.504 324 H N -0.149 119.002 119.070 0.136 0.000 2.423 324 H HA -0.060 4.494 4.556 -0.002 0.000 0.297 324 H C 2.279 177.627 175.328 0.034 0.000 1.075 324 H CA 0.602 56.700 56.048 0.084 0.000 1.342 324 H CB -0.037 29.750 29.762 0.041 0.000 1.395 324 H HN 0.174 nan 8.280 nan 0.000 0.530 325 L N 0.945 122.226 121.223 0.097 0.000 2.240 325 L HA -0.053 4.286 4.340 -0.002 0.000 0.211 325 L C 2.430 179.281 176.870 -0.032 0.000 1.106 325 L CA 1.120 55.974 54.840 0.024 0.000 0.793 325 L CB -0.337 41.725 42.059 0.005 0.000 0.927 325 L HN 0.099 nan 8.230 nan 0.000 0.446 326 K N -1.415 118.925 120.400 -0.100 0.000 2.283 326 K HA -0.126 4.192 4.320 -0.002 0.000 0.202 326 K C 1.122 177.507 176.600 -0.357 0.000 1.048 326 K CA 1.067 57.204 56.287 -0.249 0.000 0.948 326 K CB 0.099 32.387 32.500 -0.354 0.000 0.742 326 K HN 0.420 nan 8.250 nan 0.000 0.458 327 H N -2.448 116.635 119.070 0.021 0.000 3.058 327 H HA 0.195 4.750 4.556 -0.002 0.000 0.266 327 H C 1.230 176.568 175.328 0.015 0.000 1.135 327 H CA 0.568 56.625 56.048 0.015 0.000 1.174 327 H CB 1.516 31.284 29.762 0.010 0.000 1.581 327 H HN 0.335 nan 8.280 nan 0.000 0.553 328 G N 0.138 109.000 108.800 0.103 0.000 2.748 328 G HA2 0.014 3.972 3.960 -0.002 0.000 0.204 328 G HA3 0.014 3.972 3.960 -0.002 0.000 0.204 328 G C 1.244 176.156 174.900 0.020 0.000 1.095 328 G CA -0.091 45.046 45.100 0.061 0.000 0.775 328 G HN 0.050 nan 8.290 nan 0.000 0.531 329 L N 2.415 123.641 121.223 0.005 0.000 2.376 329 L HA 0.064 4.402 4.340 -0.002 0.000 0.219 329 L C 2.746 179.611 176.870 -0.008 0.000 1.133 329 L CA 1.578 56.410 54.840 -0.013 0.000 0.816 329 L CB -0.112 41.935 42.059 -0.021 0.000 0.933 329 L HN 0.322 nan 8.230 nan 0.000 0.449 330 S N -2.681 113.022 115.700 0.005 0.000 2.562 330 S HA 0.019 4.488 4.470 -0.002 0.000 0.221 330 S C 0.732 175.337 174.600 0.007 0.000 0.975 330 S CA -0.174 58.031 58.200 0.007 0.000 0.918 330 S CB -0.248 62.963 63.200 0.017 0.000 0.772 330 S HN 0.347 nan 8.310 nan 0.000 0.531 331 D N 2.421 122.826 120.400 0.008 0.000 2.303 331 D HA 0.327 4.965 4.640 -0.002 0.000 0.236 331 D C -1.710 174.588 176.300 -0.003 0.000 1.068 331 D CA -2.515 51.488 54.000 0.005 0.000 0.830 331 D CB 2.026 42.831 40.800 0.009 0.000 1.109 331 D HN -0.044 nan 8.370 nan 0.000 0.496 332 P HA -0.094 nan 4.420 nan 0.000 0.225 332 P C 0.959 178.255 177.300 -0.006 0.000 1.148 332 P CA 0.589 63.685 63.100 -0.007 0.000 0.779 332 P CB 0.494 32.191 31.700 -0.005 0.000 0.780 333 R N -1.149 119.349 120.500 -0.004 0.000 2.236 333 R HA 0.080 4.419 4.340 -0.002 0.000 0.208 333 R C 0.905 177.201 176.300 -0.006 0.000 1.036 333 R CA 0.177 56.274 56.100 -0.004 0.000 1.001 333 R CB -0.185 30.112 30.300 -0.005 0.000 0.896 333 R HN 0.280 nan 8.270 nan 0.000 0.464 334 N N 0.587 119.282 118.700 -0.008 0.000 2.408 334 N HA 0.295 5.034 4.740 -0.002 0.000 0.260 334 N C -0.772 174.729 175.510 -0.014 0.000 1.242 334 N CA 0.210 53.253 53.050 -0.012 0.000 0.959 334 N CB 1.388 39.868 38.487 -0.012 0.000 1.201 334 N HN 0.051 nan 8.380 nan 0.000 0.511 335 A N 0.941 123.751 122.820 -0.016 0.000 2.437 335 A HA 0.422 4.740 4.320 -0.002 0.000 0.293 335 A C -1.047 176.514 177.584 -0.038 0.000 1.038 335 A CA -0.603 51.433 52.037 -0.001 0.000 0.708 335 A CB 0.858 19.905 19.000 0.078 0.000 1.251 335 A HN 0.577 nan 8.150 nan 0.000 0.409 336 L N 3.542 124.702 121.223 -0.105 0.000 2.289 336 L HA 0.735 5.074 4.340 -0.002 0.000 0.285 336 L C -0.608 176.122 176.870 -0.232 0.000 1.049 336 L CA -0.807 53.903 54.840 -0.216 0.000 0.804 336 L CB 1.578 43.435 42.059 -0.336 0.000 1.195 336 L HN 0.683 nan 8.230 nan 0.000 0.428 337 V N 0.924 120.702 119.914 -0.226 0.000 2.483 337 V HA 0.467 4.586 4.120 -0.002 0.000 0.297 337 V C -0.714 175.276 176.094 -0.173 0.000 1.027 337 V CA -0.703 61.532 62.300 -0.108 0.000 0.855 337 V CB 1.270 33.143 31.823 0.083 0.000 0.995 337 V HN 0.446 nan 8.190 nan 0.000 0.424 338 F N 4.327 124.306 119.950 0.047 0.000 2.411 338 F HA 0.554 5.079 4.527 -0.002 0.000 0.355 338 F C 1.176 176.975 175.800 -0.002 0.000 1.117 338 F CA -0.530 57.475 58.000 0.009 0.000 1.139 338 F CB 1.994 41.010 39.000 0.027 0.000 1.120 338 F HN 0.559 nan 8.300 nan 0.000 0.493 339 V N 0.531 120.521 119.914 0.126 0.000 3.578 339 V HA 0.584 4.702 4.120 -0.002 0.000 0.290 339 V C 0.610 176.807 176.094 0.171 0.000 1.376 339 V CA 0.361 62.645 62.300 -0.026 0.000 1.083 339 V CB -0.034 31.584 31.823 -0.341 0.000 0.911 339 V HN 0.690 nan 8.190 nan 0.000 0.433 340 G N -1.001 107.940 108.800 0.235 0.000 2.667 340 G HA2 0.472 4.430 3.960 -0.002 0.000 0.298 340 G HA3 0.472 4.430 3.960 -0.002 0.000 0.298 340 G C -1.377 173.721 174.900 0.331 0.000 1.377 340 G CA -0.995 44.335 45.100 0.383 0.000 0.964 340 G HN 0.235 nan 8.290 nan 0.000 0.493 341 Y N 1.477 121.947 120.300 0.284 0.000 2.904 341 Y HA 0.142 4.691 4.550 -0.002 0.000 0.336 341 Y C 0.084 176.033 175.900 0.083 0.000 1.263 341 Y CA 0.612 58.825 58.100 0.189 0.000 1.547 341 Y CB 0.668 39.271 38.460 0.238 0.000 1.272 341 Y HN 0.308 nan 8.280 nan 0.000 0.596 342 Q N 8.513 127.830 119.800 -0.804 0.000 2.333 342 Q HA 0.343 4.682 4.340 -0.002 0.000 0.268 342 Q C -2.456 172.939 176.000 -1.008 0.000 1.007 342 Q CA -2.180 53.186 55.803 -0.728 0.000 0.810 342 Q CB 1.550 29.831 28.738 -0.761 0.000 1.264 342 Q HN 0.560 nan 8.270 nan 0.000 0.452 343 P HA -0.032 nan 4.420 nan 0.000 0.269 343 P C -0.633 176.554 177.300 -0.188 0.000 1.209 343 P CA -0.196 62.780 63.100 -0.206 0.000 0.776 343 P CB 0.660 32.393 31.700 0.055 0.000 0.876 344 Q N 0.720 120.469 119.800 -0.084 0.000 2.314 344 Q HA 0.449 4.788 4.340 -0.002 0.000 0.258 344 Q C 0.809 176.786 176.000 -0.038 0.000 0.954 344 Q CA 0.121 55.886 55.803 -0.064 0.000 0.890 344 Q CB 0.016 28.744 28.738 -0.017 0.000 1.210 344 Q HN 0.839 nan 8.270 nan 0.000 0.410 345 G N 1.127 109.902 108.800 -0.042 0.000 2.130 345 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.216 345 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.216 345 G C 0.110 174.992 174.900 -0.030 0.000 0.999 345 G CA -0.348 44.735 45.100 -0.027 0.000 0.686 345 G HN 1.110 nan 8.290 nan 0.000 0.515 346 G N -1.627 107.143 108.800 -0.050 0.000 3.013 346 G HA2 0.683 4.642 3.960 -0.002 0.000 0.278 346 G HA3 0.683 4.642 3.960 -0.002 0.000 0.278 346 G C 0.859 175.733 174.900 -0.045 0.000 1.353 346 G CA -0.058 45.014 45.100 -0.046 0.000 1.043 346 G HN 0.872 nan 8.290 nan 0.000 0.523 347 L N 0.520 121.725 121.223 -0.030 0.000 2.191 347 L HA 0.137 4.476 4.340 -0.002 0.000 0.212 347 L C 2.497 179.370 176.870 0.005 0.000 1.103 347 L CA 2.761 57.597 54.840 -0.007 0.000 0.769 347 L CB -0.625 41.437 42.059 0.005 0.000 0.908 347 L HN 0.593 nan 8.230 nan 0.000 0.438 348 G N -1.253 107.513 108.800 -0.056 0.000 2.403 348 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.216 348 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.216 348 G C 1.569 176.372 174.900 -0.162 0.000 1.154 348 G CA 0.539 45.551 45.100 -0.147 0.000 0.784 348 G HN 0.577 nan 8.290 nan 0.000 0.538 349 A N 0.841 123.571 122.820 -0.149 0.000 1.969 349 A HA 0.066 4.385 4.320 -0.002 0.000 0.218 349 A C 2.123 179.682 177.584 -0.042 0.000 1.169 349 A CA 1.740 53.710 52.037 -0.112 0.000 0.635 349 A CB -0.231 18.708 19.000 -0.102 0.000 0.810 349 A HN 0.458 nan 8.150 nan 0.000 0.445 350 E N -0.096 120.092 120.200 -0.020 0.000 2.028 350 E HA -0.103 4.245 4.350 -0.002 0.000 0.190 350 E C 1.870 178.485 176.600 0.025 0.000 0.984 350 E CA 1.181 57.582 56.400 0.001 0.000 0.800 350 E CB -0.297 29.404 29.700 0.001 0.000 0.758 350 E HN 0.668 nan 8.360 nan 0.000 0.448 351 I N 1.327 121.932 120.570 0.058 0.000 2.163 351 I HA -0.282 3.887 4.170 -0.002 0.000 0.243 351 I C 2.413 178.589 176.117 0.099 0.000 1.085 351 I CA 1.174 62.529 61.300 0.091 0.000 1.347 351 I CB -0.325 37.778 38.000 0.172 0.000 1.044 351 I HN 0.112 nan 8.210 nan 0.000 0.408 352 I N 0.984 121.630 120.570 0.127 0.000 2.530 352 I HA -0.259 3.910 4.170 -0.002 0.000 0.257 352 I C 2.605 178.753 176.117 0.050 0.000 1.179 352 I CA 1.023 62.388 61.300 0.108 0.000 1.440 352 I CB -0.432 37.608 38.000 0.065 0.000 1.087 352 I HN 0.206 nan 8.210 nan 0.000 0.440 353 A N 0.429 123.267 122.820 0.030 0.000 2.119 353 A HA -0.105 4.213 4.320 -0.002 0.000 0.217 353 A C 1.402 178.996 177.584 0.016 0.000 1.153 353 A CA 0.304 52.352 52.037 0.017 0.000 0.692 353 A CB -0.208 18.797 19.000 0.008 0.000 0.799 353 A HN 0.440 nan 8.150 nan 0.000 0.458 354 R N -0.978 119.533 120.500 0.018 0.000 3.209 354 R HA -0.108 4.231 4.340 -0.002 0.000 0.252 354 R C -2.450 173.852 176.300 0.003 0.000 0.958 354 R CA 0.695 56.800 56.100 0.007 0.000 0.651 354 R CB -2.213 28.089 30.300 0.002 0.000 1.142 354 R HN 0.504 nan 8.270 nan 0.000 0.441 355 P HA 0.314 nan 4.420 nan 0.000 0.284 355 P C -1.868 175.431 177.300 -0.002 0.000 1.292 355 P CA -1.045 62.055 63.100 0.001 0.000 0.800 355 P CB 0.779 32.480 31.700 0.001 0.000 1.188 356 P HA 0.004 nan 4.420 nan 0.000 0.215 356 P C 0.325 177.622 177.300 -0.005 0.000 1.157 356 P CA 1.314 64.412 63.100 -0.004 0.000 0.859 356 P CB 0.074 31.772 31.700 -0.003 0.000 0.786 357 A N -0.916 121.901 122.820 -0.005 0.000 2.515 357 A HA 0.628 4.947 4.320 -0.002 0.000 0.296 357 A C -1.239 176.341 177.584 -0.007 0.000 1.094 357 A CA -0.533 51.500 52.037 -0.007 0.000 0.718 357 A CB 1.988 20.983 19.000 -0.007 0.000 1.307 357 A HN -0.107 nan 8.150 nan 0.000 0.408 358 V N 0.950 120.859 119.914 -0.010 0.000 2.656 358 V HA 0.535 4.654 4.120 -0.002 0.000 0.307 358 V C 0.103 176.187 176.094 -0.016 0.000 1.051 358 V CA -0.699 61.596 62.300 -0.009 0.000 0.893 358 V CB 1.823 33.643 31.823 -0.004 0.000 0.999 358 V HN 0.957 nan 8.190 nan 0.000 0.426 359 R N 4.631 125.121 120.500 -0.016 0.000 2.216 359 R HA 0.651 4.989 4.340 -0.002 0.000 0.332 359 R C -1.302 174.981 176.300 -0.028 0.000 1.056 359 R CA -0.097 55.990 56.100 -0.022 0.000 0.901 359 R CB 0.322 30.611 30.300 -0.018 0.000 1.039 359 R HN 0.719 nan 8.270 nan 0.000 0.456 360 I N 5.981 126.527 120.570 -0.040 0.000 2.534 360 I HA 0.168 4.337 4.170 -0.002 0.000 0.288 360 I C -0.409 175.669 176.117 -0.065 0.000 1.077 360 I CA -1.125 60.143 61.300 -0.054 0.000 1.051 360 I CB 2.007 39.967 38.000 -0.066 0.000 1.234 360 I HN 0.632 nan 8.210 nan 0.000 0.425 361 L N 6.238 127.422 121.223 -0.066 0.000 3.737 361 L HA -0.211 4.127 4.340 -0.002 0.000 0.418 361 L C 1.080 177.928 176.870 -0.037 0.000 1.216 361 L CA 1.327 56.131 54.840 -0.060 0.000 0.915 361 L CB -2.079 39.934 42.059 -0.076 0.000 1.834 361 L HN 1.116 nan 8.230 nan 0.000 0.943 362 G N -0.880 107.901 108.800 -0.031 0.000 2.246 362 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.273 362 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.273 362 G C 0.161 175.048 174.900 -0.021 0.000 1.055 362 G CA 0.556 45.643 45.100 -0.022 0.000 0.851 362 G HN 0.589 nan 8.290 nan 0.000 0.500 363 E N -1.058 119.125 120.200 -0.028 0.000 2.363 363 E HA 0.391 4.740 4.350 -0.002 0.000 0.281 363 E C -0.968 175.614 176.600 -0.030 0.000 0.953 363 E CA -0.991 55.393 56.400 -0.027 0.000 0.778 363 E CB 1.222 30.902 29.700 -0.033 0.000 1.220 363 E HN 0.145 nan 8.360 nan 0.000 0.431 364 E N 0.961 121.148 120.200 -0.022 0.000 2.338 364 E HA 0.312 4.661 4.350 -0.002 0.000 0.272 364 E C -0.863 175.723 176.600 -0.023 0.000 1.029 364 E CA -0.264 56.124 56.400 -0.020 0.000 0.872 364 E CB 1.244 30.936 29.700 -0.013 0.000 1.015 364 E HN 0.274 nan 8.360 nan 0.000 0.417 365 V N 1.342 121.242 119.914 -0.023 0.000 2.524 365 V HA 0.568 4.687 4.120 -0.002 0.000 0.297 365 V C -2.688 173.397 176.094 -0.015 0.000 1.035 365 V CA -2.815 59.471 62.300 -0.024 0.000 0.867 365 V CB 1.688 33.487 31.823 -0.040 0.000 1.004 365 V HN 0.443 nan 8.190 nan 0.000 0.426 366 P HA 0.177 nan 4.420 nan 0.000 0.268 366 P C -0.481 176.813 177.300 -0.010 0.000 1.208 366 P CA -0.060 63.035 63.100 -0.008 0.000 0.777 366 P CB 0.543 32.240 31.700 -0.004 0.000 0.875 367 L N 3.410 124.627 121.223 -0.011 0.000 2.701 367 L HA 0.253 4.592 4.340 -0.002 0.000 0.237 367 L C 1.143 178.001 176.870 -0.020 0.000 1.204 367 L CA 0.390 55.220 54.840 -0.016 0.000 1.109 367 L CB -0.630 41.420 42.059 -0.014 0.000 1.409 367 L HN 0.218 nan 8.230 nan 0.000 0.428 368 R N 1.295 121.784 120.500 -0.018 0.000 2.173 368 R HA 0.309 4.648 4.340 -0.002 0.000 0.208 368 R C 0.845 177.130 176.300 -0.026 0.000 1.035 368 R CA 0.503 56.592 56.100 -0.018 0.000 1.004 368 R CB 0.128 30.422 30.300 -0.010 0.000 0.917 368 R HN 0.576 nan 8.270 nan 0.000 0.462 369 A N 2.135 124.937 122.820 -0.031 0.000 2.488 369 A HA 0.143 4.462 4.320 -0.002 0.000 0.249 369 A C 0.391 177.931 177.584 -0.073 0.000 1.083 369 A CA -0.207 51.804 52.037 -0.042 0.000 0.768 369 A CB 0.242 19.216 19.000 -0.043 0.000 1.017 369 A HN 0.337 nan 8.150 nan 0.000 0.496 370 S N 1.830 117.480 115.700 -0.083 0.000 2.549 370 S HA 0.381 4.850 4.470 -0.002 0.000 0.283 370 S C -0.050 174.382 174.600 -0.280 0.000 1.320 370 S CA -0.613 57.485 58.200 -0.170 0.000 1.058 370 S CB 0.668 63.790 63.200 -0.131 0.000 0.882 370 S HN 0.692 nan 8.310 nan 0.000 0.498 371 V N 4.508 124.204 119.914 -0.364 0.000 2.427 371 V HA 0.421 4.540 4.120 -0.002 0.000 0.286 371 V C -0.315 175.483 176.094 -0.492 0.000 1.034 371 V CA -0.549 61.558 62.300 -0.323 0.000 0.893 371 V CB 1.021 32.763 31.823 -0.135 0.000 0.982 371 V HN 0.908 nan 8.190 nan 0.000 0.452 372 H N 1.948 121.000 119.070 -0.030 0.000 2.840 372 H HA 0.377 4.932 4.556 -0.002 0.000 0.340 372 H C -0.637 174.756 175.328 0.107 0.000 1.004 372 H CA -0.463 55.610 56.048 0.042 0.000 1.288 372 H CB 2.134 31.916 29.762 0.033 0.000 1.607 372 H HN 0.519 nan 8.280 nan 0.000 0.522 373 T N 5.207 119.942 114.554 0.301 0.000 2.781 373 T HA 0.314 4.662 4.350 -0.002 0.000 0.305 373 T C 0.873 175.743 174.700 0.284 0.000 1.001 373 T CA -0.581 61.720 62.100 0.334 0.000 0.950 373 T CB 0.139 69.185 68.868 0.295 0.000 0.955 373 T HN 0.307 nan 8.240 nan 0.000 0.471 374 L N 3.321 124.719 121.223 0.291 0.000 2.417 374 L HA 0.380 4.719 4.340 -0.002 0.000 0.258 374 L C 1.577 178.646 176.870 0.332 0.000 1.088 374 L CA -0.675 54.350 54.840 0.309 0.000 0.975 374 L CB 0.473 42.740 42.059 0.347 0.000 1.341 374 L HN 0.791 nan 8.230 nan 0.000 0.431 375 G N 0.640 109.604 108.800 0.273 0.000 3.155 375 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.213 375 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.213 375 G C 1.202 176.190 174.900 0.147 0.000 1.196 375 G CA 0.525 45.771 45.100 0.243 0.000 0.846 375 G HN 0.710 nan 8.290 nan 0.000 0.516 376 G N 0.243 109.162 108.800 0.198 0.000 2.551 376 G HA2 0.023 3.982 3.960 -0.002 0.000 0.216 376 G HA3 0.023 3.982 3.960 -0.002 0.000 0.216 376 G C 1.019 175.917 174.900 -0.003 0.000 1.137 376 G CA -0.114 45.032 45.100 0.077 0.000 0.798 376 G HN 0.351 nan 8.290 nan 0.000 0.536 377 F N 1.857 121.834 119.950 0.045 0.000 2.795 377 F HA 0.279 4.805 4.527 -0.003 0.000 0.303 377 F C 1.766 177.532 175.800 -0.057 0.000 1.186 377 F CA -0.515 57.510 58.000 0.041 0.000 1.415 377 F CB -0.203 38.826 39.000 0.049 0.000 1.106 377 F HN -0.030 nan 8.300 nan 0.000 0.558 378 S N 0.314 115.965 115.700 -0.082 0.000 2.558 378 S HA 0.144 4.612 4.470 -0.002 0.000 0.293 378 S C 1.553 176.061 174.600 -0.152 0.000 1.292 378 S CA 0.263 58.333 58.200 -0.217 0.000 1.063 378 S CB 0.824 63.460 63.200 -0.940 0.000 0.831 378 S HN 0.455 nan 8.310 nan 0.000 0.499 379 G N 3.576 112.374 108.800 -0.004 0.000 2.939 379 G HA2 0.119 4.078 3.960 -0.002 0.000 0.210 379 G HA3 0.119 4.078 3.960 -0.002 0.000 0.210 379 G C 0.517 175.403 174.900 -0.023 0.000 1.160 379 G CA -0.045 45.022 45.100 -0.055 0.000 0.770 379 G HN 0.799 nan 8.290 nan 0.000 0.543 380 H N -0.071 119.043 119.070 0.073 0.000 2.525 380 H HA 0.545 5.100 4.556 -0.002 0.000 0.340 380 H C 0.044 175.427 175.328 0.092 0.000 1.168 380 H CA -0.413 55.692 56.048 0.095 0.000 1.247 380 H CB 1.877 31.779 29.762 0.234 0.000 1.568 380 H HN 0.139 nan 8.280 nan 0.000 0.536 381 A N 1.597 124.497 122.820 0.132 0.000 2.425 381 A HA 0.395 4.713 4.320 -0.002 0.000 0.249 381 A C 0.947 178.514 177.584 -0.029 0.000 1.084 381 A CA 0.235 52.292 52.037 0.034 0.000 0.781 381 A CB -0.006 18.959 19.000 -0.057 0.000 1.019 381 A HN 0.770 nan 8.150 nan 0.000 0.490 382 G N -0.350 108.347 108.800 -0.170 0.000 2.621 382 G HA2 0.300 4.259 3.960 -0.002 0.000 0.271 382 G HA3 0.300 4.259 3.960 -0.002 0.000 0.271 382 G C 0.694 175.516 174.900 -0.130 0.000 1.236 382 G CA 0.259 45.121 45.100 -0.396 0.000 0.958 382 G HN 0.908 nan 8.290 nan 0.000 0.512 383 Q N -0.592 119.151 119.800 -0.095 0.000 2.061 383 Q HA -0.205 4.133 4.340 -0.002 0.000 0.204 383 Q C 2.158 178.155 176.000 -0.006 0.000 0.984 383 Q CA 2.300 58.092 55.803 -0.017 0.000 0.846 383 Q CB -0.147 28.590 28.738 -0.003 0.000 0.902 383 Q HN 0.749 nan 8.270 nan 0.000 0.421 384 D N 0.069 120.459 120.400 -0.017 0.000 2.092 384 D HA -0.235 4.403 4.640 -0.002 0.000 0.193 384 D C 1.414 177.725 176.300 0.018 0.000 0.994 384 D CA 1.765 55.767 54.000 0.004 0.000 0.828 384 D CB -0.693 40.109 40.800 0.003 0.000 0.963 384 D HN 0.472 nan 8.370 nan 0.000 0.450 385 E N -0.262 119.943 120.200 0.009 0.000 2.150 385 E HA -0.099 4.250 4.350 -0.002 0.000 0.193 385 E C 2.171 178.810 176.600 0.064 0.000 0.985 385 E CA 0.202 56.621 56.400 0.032 0.000 0.814 385 E CB -0.057 29.647 29.700 0.006 0.000 0.752 385 E HN 0.147 nan 8.360 nan 0.000 0.466 386 L N 0.716 121.963 121.223 0.041 0.000 1.994 386 L HA -0.178 4.160 4.340 -0.002 0.000 0.208 386 L C 2.263 179.201 176.870 0.114 0.000 1.071 386 L CA 1.528 56.410 54.840 0.070 0.000 0.745 386 L CB -0.677 41.407 42.059 0.041 0.000 0.892 386 L HN 0.143 nan 8.230 nan 0.000 0.431 387 L N -0.946 120.320 121.223 0.072 0.000 2.079 387 L HA -0.241 4.098 4.340 -0.002 0.000 0.210 387 L C 2.194 179.103 176.870 0.065 0.000 1.081 387 L CA 1.103 55.979 54.840 0.060 0.000 0.752 387 L CB -0.700 41.381 42.059 0.036 0.000 0.896 387 L HN 0.272 nan 8.230 nan 0.000 0.433 388 D N -0.903 119.543 120.400 0.076 0.000 2.097 388 D HA -0.230 4.409 4.640 -0.002 0.000 0.195 388 D C 1.778 178.134 176.300 0.094 0.000 0.989 388 D CA 1.125 55.167 54.000 0.070 0.000 0.827 388 D CB -0.278 40.566 40.800 0.073 0.000 0.966 388 D HN 0.371 nan 8.370 nan 0.000 0.456 389 W N 0.730 121.997 121.300 -0.055 0.000 2.425 389 W HA -0.070 4.589 4.660 -0.002 0.000 0.277 389 W C 1.346 177.808 176.519 -0.094 0.000 1.231 389 W CA 0.677 57.970 57.345 -0.086 0.000 1.248 389 W CB 0.129 29.526 29.460 -0.106 0.000 1.117 389 W HN -0.090 nan 8.180 nan 0.000 0.568 390 L N 0.632 121.913 121.223 0.096 0.000 2.592 390 L HA 0.085 4.424 4.340 -0.002 0.000 0.227 390 L C 1.176 178.000 176.870 -0.076 0.000 1.127 390 L CA 0.696 55.525 54.840 -0.019 0.000 0.884 390 L CB -1.806 40.300 42.059 0.078 0.000 1.065 390 L HN -0.075 nan 8.230 nan 0.000 0.457 391 Q N 0.976 120.736 119.800 -0.067 0.000 2.320 391 Q HA 0.079 4.418 4.340 -0.002 0.000 0.311 391 Q C 1.241 177.187 176.000 -0.090 0.000 1.083 391 Q CA 1.376 57.143 55.803 -0.061 0.000 1.001 391 Q CB 0.444 29.152 28.738 -0.049 0.000 1.074 391 Q HN 0.583 nan 8.270 nan 0.000 0.379 392 G N 4.018 112.779 108.800 -0.064 0.000 2.241 392 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.244 392 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.244 392 G C -0.198 174.660 174.900 -0.070 0.000 0.998 392 G CA 0.111 45.171 45.100 -0.066 0.000 0.621 392 G HN 0.606 nan 8.290 nan 0.000 0.519 393 E N 1.844 121.993 120.200 -0.084 0.000 2.299 393 E HA 0.214 4.563 4.350 -0.002 0.000 0.272 393 E C -0.958 175.615 176.600 -0.044 0.000 1.043 393 E CA -0.999 55.355 56.400 -0.077 0.000 0.895 393 E CB 1.666 31.307 29.700 -0.098 0.000 1.011 393 E HN 0.337 nan 8.360 nan 0.000 0.432 394 P HA -0.138 nan 4.420 nan 0.000 0.215 394 P C 0.019 177.309 177.300 -0.016 0.000 1.157 394 P CA 1.207 64.293 63.100 -0.023 0.000 0.863 394 P CB 0.561 32.248 31.700 -0.021 0.000 0.787 395 R N -0.285 120.206 120.500 -0.015 0.000 2.480 395 R HA 0.590 4.928 4.340 -0.002 0.000 0.306 395 R C -1.129 175.170 176.300 -0.002 0.000 0.958 395 R CA -0.704 55.391 56.100 -0.008 0.000 0.861 395 R CB 2.595 32.890 30.300 -0.008 0.000 1.171 395 R HN -0.131 nan 8.270 nan 0.000 0.445 396 V N 3.548 123.465 119.914 0.005 0.000 2.588 396 V HA 0.412 4.530 4.120 -0.002 0.000 0.304 396 V C -0.530 175.574 176.094 0.017 0.000 1.042 396 V CA -0.858 61.453 62.300 0.018 0.000 0.877 396 V CB 2.324 34.164 31.823 0.028 0.000 0.996 396 V HN 0.433 nan 8.190 nan 0.000 0.425 397 V N 5.763 125.688 119.914 0.020 0.000 2.409 397 V HA 0.452 4.571 4.120 -0.002 0.000 0.291 397 V C -0.497 175.610 176.094 0.022 0.000 1.020 397 V CA -0.589 61.716 62.300 0.008 0.000 0.848 397 V CB 1.597 33.411 31.823 -0.015 0.000 0.990 397 V HN 0.556 nan 8.190 nan 0.000 0.430 398 L N 6.457 127.697 121.223 0.028 0.000 2.350 398 L HA 0.729 5.068 4.340 -0.002 0.000 0.275 398 L C 0.173 177.075 176.870 0.054 0.000 1.099 398 L CA 0.376 55.244 54.840 0.046 0.000 0.808 398 L CB 1.565 43.650 42.059 0.043 0.000 1.149 398 L HN 0.638 nan 8.230 nan 0.000 0.442 399 V N -0.703 119.266 119.914 0.091 0.000 3.112 399 V HA 0.572 4.691 4.120 -0.002 0.000 0.310 399 V C -0.184 176.042 176.094 0.220 0.000 1.364 399 V CA -0.966 61.417 62.300 0.140 0.000 1.058 399 V CB 1.481 33.393 31.823 0.148 0.000 1.079 399 V HN 0.804 nan 8.190 nan 0.000 0.463 400 H N 0.269 119.410 119.070 0.118 0.000 2.794 400 H HA 0.007 4.562 4.556 -0.002 0.000 0.324 400 H C -0.123 175.206 175.328 0.002 0.000 1.037 400 H CA 1.645 57.748 56.048 0.091 0.000 1.062 400 H CB -0.950 28.900 29.762 0.148 0.000 1.622 400 H HN 2.246 nan 8.280 nan 0.000 0.371 401 G N 2.571 111.369 108.800 -0.003 0.000 2.368 401 G HA2 0.177 4.136 3.960 -0.002 0.000 0.303 401 G HA3 0.177 4.136 3.960 -0.002 0.000 0.303 401 G C -1.089 173.777 174.900 -0.057 0.000 1.590 401 G CA -0.575 44.495 45.100 -0.049 0.000 0.938 401 G HN 0.298 nan 8.290 nan 0.000 0.675 402 E N 0.491 120.637 120.200 -0.089 0.000 2.415 402 E HA 0.096 4.445 4.350 -0.002 0.000 0.263 402 E C 1.269 177.849 176.600 -0.033 0.000 0.995 402 E CA 0.309 56.673 56.400 -0.060 0.000 0.915 402 E CB 1.618 31.276 29.700 -0.070 0.000 0.951 402 E HN 0.682 nan 8.360 nan 0.000 0.449 403 E N 2.906 123.096 120.200 -0.017 0.000 2.136 403 E HA -0.355 3.993 4.350 -0.002 0.000 0.208 403 E C 0.985 177.581 176.600 -0.006 0.000 1.035 403 E CA 2.131 58.528 56.400 -0.005 0.000 0.838 403 E CB 0.210 29.908 29.700 -0.002 0.000 0.748 403 E HN 0.480 nan 8.360 nan 0.000 0.459 404 E N 0.455 120.648 120.200 -0.011 0.000 2.106 404 E HA -0.138 4.210 4.350 -0.002 0.000 0.192 404 E C 1.904 178.499 176.600 -0.010 0.000 0.984 404 E CA 1.256 57.651 56.400 -0.008 0.000 0.806 404 E CB -0.068 29.628 29.700 -0.007 0.000 0.750 404 E HN 0.289 nan 8.360 nan 0.000 0.458 405 K N -0.034 120.352 120.400 -0.023 0.000 2.167 405 K HA -0.001 4.318 4.320 -0.002 0.000 0.203 405 K C 1.699 178.292 176.600 -0.012 0.000 1.052 405 K CA 0.533 56.804 56.287 -0.028 0.000 0.956 405 K CB -0.007 32.450 32.500 -0.071 0.000 0.735 405 K HN 0.023 nan 8.250 nan 0.000 0.451 406 L N 0.692 121.911 121.223 -0.007 0.000 2.072 406 L HA -0.114 4.225 4.340 -0.002 0.000 0.205 406 L C 2.052 178.929 176.870 0.011 0.000 1.079 406 L CA 1.226 56.071 54.840 0.008 0.000 0.752 406 L CB -0.605 41.462 42.059 0.015 0.000 0.906 406 L HN 0.079 nan 8.230 nan 0.000 0.436 407 L N -0.538 120.689 121.223 0.007 0.000 2.083 407 L HA -0.143 4.195 4.340 -0.002 0.000 0.209 407 L C 2.546 179.422 176.870 0.009 0.000 1.083 407 L CA 1.900 56.745 54.840 0.008 0.000 0.752 407 L CB -1.418 40.645 42.059 0.005 0.000 0.899 407 L HN 0.257 nan 8.230 nan 0.000 0.433 408 A N -1.077 121.748 122.820 0.008 0.000 1.855 408 A HA -0.175 4.143 4.320 -0.002 0.000 0.215 408 A C 2.345 179.937 177.584 0.014 0.000 1.191 408 A CA 1.569 53.612 52.037 0.011 0.000 0.613 408 A CB -0.830 18.177 19.000 0.010 0.000 0.829 408 A HN 0.363 nan 8.150 nan 0.000 0.442 409 L N -0.453 120.779 121.223 0.016 0.000 2.042 409 L HA -0.154 4.184 4.340 -0.002 0.000 0.210 409 L C 2.538 179.421 176.870 0.021 0.000 1.076 409 L CA 1.678 56.531 54.840 0.021 0.000 0.749 409 L CB -0.734 41.341 42.059 0.026 0.000 0.893 409 L HN 0.476 nan 8.230 nan 0.000 0.432 410 G N -0.538 108.273 108.800 0.019 0.000 2.432 410 G HA2 -0.318 3.640 3.960 -0.002 0.000 0.219 410 G HA3 -0.318 3.640 3.960 -0.002 0.000 0.219 410 G C 1.660 176.568 174.900 0.013 0.000 1.135 410 G CA 0.875 45.985 45.100 0.017 0.000 0.767 410 G HN 0.344 nan 8.290 nan 0.000 0.550 411 K N -0.038 120.369 120.400 0.012 0.000 2.026 411 K HA 0.040 4.359 4.320 -0.002 0.000 0.208 411 K C 2.511 179.117 176.600 0.011 0.000 1.048 411 K CA 0.878 57.171 56.287 0.011 0.000 0.929 411 K CB -0.257 32.249 32.500 0.010 0.000 0.713 411 K HN 0.334 nan 8.250 nan 0.000 0.439 412 L N 0.888 122.119 121.223 0.013 0.000 2.017 412 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 412 L C 2.464 179.341 176.870 0.012 0.000 1.073 412 L CA 1.034 55.882 54.840 0.013 0.000 0.745 412 L CB -0.551 41.518 42.059 0.016 0.000 0.894 412 L HN 0.227 nan 8.230 nan 0.000 0.432 413 L N -0.004 121.228 121.223 0.015 0.000 2.042 413 L HA -0.213 4.126 4.340 -0.002 0.000 0.210 413 L C 2.879 179.754 176.870 0.008 0.000 1.076 413 L CA 1.269 56.117 54.840 0.013 0.000 0.749 413 L CB -0.727 41.343 42.059 0.018 0.000 0.893 413 L HN 0.262 nan 8.230 nan 0.000 0.432 414 A N -0.468 122.356 122.820 0.008 0.000 1.969 414 A HA -0.131 4.187 4.320 -0.002 0.000 0.218 414 A C 2.163 179.750 177.584 0.004 0.000 1.169 414 A CA 0.996 53.036 52.037 0.005 0.000 0.635 414 A CB -0.545 18.458 19.000 0.006 0.000 0.810 414 A HN 0.388 nan 8.150 nan 0.000 0.445 415 L N -1.255 119.971 121.223 0.005 0.000 2.650 415 L HA 0.108 4.447 4.340 -0.002 0.000 0.235 415 L C 2.011 178.883 176.870 0.004 0.000 1.149 415 L CA 0.382 55.225 54.840 0.005 0.000 0.887 415 L CB -0.104 41.959 42.059 0.006 0.000 1.021 415 L HN 0.374 nan 8.230 nan 0.000 0.441 416 R N -1.361 119.141 120.500 0.003 0.000 2.508 416 R HA 0.176 4.515 4.340 -0.002 0.000 0.300 416 R C 1.165 177.464 176.300 -0.003 0.000 0.970 416 R CA 0.675 56.776 56.100 0.001 0.000 1.102 416 R CB 0.555 30.855 30.300 0.001 0.000 1.246 416 R HN 0.284 nan 8.270 nan 0.000 0.539 417 G N 0.336 109.135 108.800 -0.002 0.000 2.258 417 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.233 417 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.233 417 G C -0.128 174.769 174.900 -0.005 0.000 1.006 417 G CA -0.191 44.907 45.100 -0.004 0.000 0.620 417 G HN 0.396 nan 8.290 nan 0.000 0.511 418 Q N 1.111 120.909 119.800 -0.005 0.000 2.289 418 Q HA 0.390 4.728 4.340 -0.002 0.000 0.273 418 Q C 0.184 176.182 176.000 -0.002 0.000 1.029 418 Q CA 0.061 55.861 55.803 -0.005 0.000 0.896 418 Q CB 0.954 29.689 28.738 -0.005 0.000 1.182 418 Q HN 0.539 nan 8.270 nan 0.000 0.385 419 E N 2.555 122.753 120.200 -0.004 0.000 2.217 419 E HA 0.237 4.586 4.350 -0.002 0.000 0.279 419 E C -1.344 175.256 176.600 0.001 0.000 1.068 419 E CA -0.287 56.112 56.400 -0.002 0.000 0.882 419 E CB 0.870 30.567 29.700 -0.004 0.000 1.039 419 E HN 0.340 nan 8.360 nan 0.000 0.418 420 V N 3.545 123.461 119.914 0.003 0.000 3.040 420 V HA 0.795 4.913 4.120 -0.002 0.000 0.312 420 V C -1.153 174.945 176.094 0.006 0.000 1.115 420 V CA 0.131 62.436 62.300 0.007 0.000 0.998 420 V CB 2.306 34.136 31.823 0.012 0.000 1.042 420 V HN 0.869 nan 8.190 nan 0.000 0.433 421 S N 4.388 120.092 115.700 0.008 0.000 2.615 421 S HA 0.708 5.177 4.470 -0.002 0.000 0.268 421 S C -1.924 172.682 174.600 0.009 0.000 1.146 421 S CA -0.807 57.397 58.200 0.006 0.000 0.818 421 S CB 1.336 64.536 63.200 0.001 0.000 1.111 421 S HN 0.768 nan 8.310 nan 0.000 0.465 422 L N 1.916 123.144 121.223 0.009 0.000 2.309 422 L HA 0.796 5.135 4.340 -0.002 0.000 0.282 422 L C 0.811 177.688 176.870 0.011 0.000 1.036 422 L CA -0.258 54.591 54.840 0.015 0.000 0.806 422 L CB 1.124 43.194 42.059 0.019 0.000 1.220 422 L HN 1.066 nan 8.230 nan 0.000 0.429 423 A N 4.460 127.288 122.820 0.013 0.000 2.462 423 A HA 0.565 4.883 4.320 -0.002 0.000 0.243 423 A C 0.120 177.718 177.584 0.023 0.000 1.076 423 A CA -0.196 51.841 52.037 0.001 0.000 0.773 423 A CB 0.100 19.097 19.000 -0.005 0.000 1.010 423 A HN 0.709 nan 8.150 nan 0.000 0.493 424 R N 0.869 121.373 120.500 0.005 0.000 2.599 424 R HA 0.318 4.656 4.340 -0.002 0.000 0.295 424 R C -0.923 175.397 176.300 0.033 0.000 0.963 424 R CA -0.625 55.500 56.100 0.041 0.000 0.883 424 R CB 1.638 31.955 30.300 0.028 0.000 1.171 424 R HN 0.708 nan 8.270 nan 0.000 0.450 425 F N 1.963 121.894 119.950 -0.033 0.000 2.604 425 F HA -0.028 4.497 4.527 -0.002 0.000 0.393 425 F C 1.437 177.161 175.800 -0.128 0.000 1.043 425 F CA 2.253 60.222 58.000 -0.051 0.000 1.227 425 F CB 0.440 39.453 39.000 0.022 0.000 1.016 425 F HN 0.928 nan 8.300 nan 0.000 0.556 426 G N 3.718 111.955 108.800 -0.937 0.000 2.189 426 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.267 426 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.267 426 G C 0.169 174.843 174.900 -0.376 0.000 0.975 426 G CA 0.347 45.001 45.100 -0.745 0.000 0.644 426 G HN 0.674 nan 8.290 nan 0.000 0.537 427 E N 1.242 121.281 120.200 -0.268 0.000 2.044 427 E HA 0.461 4.810 4.350 -0.002 0.000 0.282 427 E C 1.042 177.543 176.600 -0.164 0.000 1.031 427 E CA -0.055 56.255 56.400 -0.149 0.000 0.824 427 E CB 0.703 30.360 29.700 -0.072 0.000 1.076 427 E HN 0.392 nan 8.360 nan 0.000 0.395 428 G N 2.055 110.772 108.800 -0.139 0.000 2.353 428 G HA2 0.176 4.134 3.960 -0.002 0.000 0.239 428 G HA3 0.176 4.134 3.960 -0.002 0.000 0.239 428 G C -0.109 174.744 174.900 -0.078 0.000 1.295 428 G CA -0.283 44.749 45.100 -0.112 0.000 0.884 428 G HN 0.315 nan 8.290 nan 0.000 0.537 429 V N 5.666 125.536 119.914 -0.075 0.000 2.448 429 V HA 0.387 4.506 4.120 -0.002 0.000 0.295 429 V C -1.803 174.267 176.094 -0.041 0.000 1.025 429 V CA -1.504 60.765 62.300 -0.053 0.000 0.859 429 V CB 2.195 33.984 31.823 -0.056 0.000 0.988 429 V HN 0.738 nan 8.190 nan 0.000 0.431 430 P HA 0.265 nan 4.420 nan 0.000 0.276 430 P C -0.395 176.895 177.300 -0.017 0.000 1.230 430 P CA 0.106 63.194 63.100 -0.021 0.000 0.776 430 P CB 1.651 33.341 31.700 -0.016 0.000 0.888 431 V N 0.000 119.906 119.914 -0.013 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 431 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556