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 1bpo_1_B DATA FIRST_RESID 1 DATA SEQUENCE MAQILPIRFQ EHLQLQNLGI NPANIGFSTL TMESDKFICI REKVGEQAQV DATA SEQUENCE VIIDMNDPSN PIRRPISADS AIMNPASKVI ALKAGKTLQI FNIEMKSKMK DATA SEQUENCE AHTMTDDVTF WKWISLNTVA LVTDNAVYHW SMEGESQPVK MFDRHSSLAG DATA SEQUENCE CQIINYRTDA KQKWLLLTGI SAQQNRVVGA MQLYSVDRKV SQPIEGHAAS DATA SEQUENCE FAQFKMEGNA EESTLFCFAV RGQAGGKLHI IEVGTPPTGN QPFPKKAVDV DATA SEQUENCE FFPPEAQNDF PVAMQISEKH DVVFLITKYG YIHLYDLETG TCIYMNRISG DATA SEQUENCE ETIFVTAPHE ATAGIIGVNR KGQVLSVCVE EENIIPYITN VLQNPDLALR DATA SEQUENCE MAVRNNLAGA EELFARKFNA LFAQGNYSEA AKVAANAPKG ILRTPDTIRR DATA SEQUENCE FQSVPAQPGQ TSPLLQYFGI LLDQGQLNKY ESLELCRPVL QQGRKQLLEK DATA SEQUENCE WLKEDKLECS EELGDLVKSV DPTLALSVYL RANVPNKVIQ CFA 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 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 A N 1.026 123.880 122.820 0.057 0.000 2.425 2 A HA 0.435 4.755 4.320 0.001 0.000 0.242 2 A C -0.284 177.361 177.584 0.102 0.000 1.077 2 A CA 0.285 52.393 52.037 0.119 0.000 0.781 2 A CB -0.087 19.050 19.000 0.227 0.000 1.020 2 A HN 0.583 nan 8.150 nan 0.000 0.494 3 Q N 0.236 120.104 119.800 0.113 0.000 2.074 3 Q HA 0.617 4.958 4.340 0.001 0.000 0.265 3 Q C -0.818 175.236 176.000 0.090 0.000 0.855 3 Q CA 0.082 55.932 55.803 0.079 0.000 1.083 3 Q CB 0.330 29.090 28.738 0.037 0.000 1.260 3 Q HN 0.600 nan 8.270 nan 0.000 0.427 4 I N 0.236 120.889 120.570 0.140 0.000 2.739 4 I HA 0.202 4.373 4.170 0.001 0.000 0.287 4 I C -2.024 174.137 176.117 0.074 0.000 1.558 4 I CA -1.041 60.321 61.300 0.103 0.000 1.050 4 I CB 1.721 39.792 38.000 0.118 0.000 1.432 4 I HN 0.107 nan 8.210 nan 0.000 0.432 5 L N 10.664 131.875 121.223 -0.019 0.000 2.361 5 L HA 0.526 4.866 4.340 0.001 0.000 0.278 5 L C -1.818 174.902 176.870 -0.251 0.000 1.113 5 L CA -1.413 53.347 54.840 -0.133 0.000 0.849 5 L CB 0.447 42.454 42.059 -0.086 0.000 1.155 5 L HN 0.448 nan 8.230 nan 0.000 0.452 6 P HA 0.095 nan 4.420 nan 0.000 0.252 6 P C -0.109 176.901 177.300 -0.484 0.000 1.218 6 P CA 0.472 63.219 63.100 -0.587 0.000 0.807 6 P CB 0.192 31.217 31.700 -1.125 0.000 1.072 7 I N -3.851 116.423 120.570 -0.494 0.000 3.206 7 I HA 0.634 4.804 4.170 0.001 0.000 0.313 7 I C -0.615 175.410 176.117 -0.153 0.000 1.103 7 I CA -1.772 59.352 61.300 -0.293 0.000 0.985 7 I CB 2.282 40.094 38.000 -0.314 0.000 1.240 7 I HN -0.418 nan 8.210 nan 0.000 0.464 8 R N 1.584 122.047 120.500 -0.063 0.000 2.637 8 R HA 0.542 4.882 4.340 0.001 0.000 0.291 8 R C -1.814 174.529 176.300 0.072 0.000 0.963 8 R CA -0.681 55.412 56.100 -0.012 0.000 0.901 8 R CB 2.569 32.857 30.300 -0.021 0.000 1.160 8 R HN 0.623 nan 8.270 nan 0.000 0.457 9 F N 3.738 123.623 119.950 -0.108 0.000 2.513 9 F HA 0.300 4.828 4.527 0.000 0.000 0.358 9 F C -0.947 174.766 175.800 -0.144 0.000 1.118 9 F CA -0.986 56.945 58.000 -0.114 0.000 1.037 9 F CB 1.030 39.981 39.000 -0.083 0.000 1.276 9 F HN 0.383 nan 8.300 nan 0.000 0.446 10 Q N 3.901 123.547 119.800 -0.257 0.000 2.301 10 Q HA 0.385 4.725 4.340 0.001 0.000 0.267 10 Q C -1.094 174.533 176.000 -0.622 0.000 1.035 10 Q CA -0.916 54.598 55.803 -0.481 0.000 0.856 10 Q CB 2.968 31.438 28.738 -0.447 0.000 1.337 10 Q HN 0.689 nan 8.270 nan 0.000 0.450 11 E N 1.718 121.561 120.200 -0.595 0.000 2.256 11 E HA 0.117 4.467 4.350 0.001 0.000 0.243 11 E C 0.024 176.375 176.600 -0.414 0.000 0.925 11 E CA -0.374 55.758 56.400 -0.446 0.000 0.748 11 E CB 0.393 29.907 29.700 -0.310 0.000 1.206 11 E HN 0.636 nan 8.360 nan 0.000 0.428 12 H N 2.813 121.824 119.070 -0.098 0.000 2.491 12 H HA -0.029 4.528 4.556 0.000 0.000 0.290 12 H C 0.648 175.949 175.328 -0.045 0.000 1.050 12 H CA 0.975 56.983 56.048 -0.067 0.000 1.309 12 H CB 0.015 29.741 29.762 -0.059 0.000 1.392 12 H HN 0.398 nan 8.280 nan 0.000 0.554 13 L N -1.818 119.424 121.223 0.031 0.000 2.866 13 L HA 0.395 4.735 4.340 0.001 0.000 0.262 13 L C -1.245 175.632 176.870 0.012 0.000 0.986 13 L CA -1.222 53.633 54.840 0.025 0.000 0.925 13 L CB 2.122 44.210 42.059 0.048 0.000 1.484 13 L HN -0.213 nan 8.230 nan 0.000 0.414 14 Q N 1.125 120.931 119.800 0.011 0.000 2.363 14 Q HA 0.604 4.944 4.340 0.001 0.000 0.265 14 Q C -0.175 175.843 176.000 0.029 0.000 1.032 14 Q CA -0.335 55.477 55.803 0.015 0.000 0.746 14 Q CB 1.258 29.996 28.738 0.000 0.000 1.237 14 Q HN 0.837 nan 8.270 nan 0.000 0.475 15 L N 2.237 123.487 121.223 0.045 0.000 2.081 15 L HA -0.273 4.067 4.340 0.001 0.000 0.212 15 L C 1.758 178.655 176.870 0.044 0.000 1.080 15 L CA 1.517 56.388 54.840 0.052 0.000 0.754 15 L CB -0.218 41.886 42.059 0.074 0.000 0.893 15 L HN 0.742 nan 8.230 nan 0.000 0.433 16 Q N -0.223 119.601 119.800 0.040 0.000 2.226 16 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 16 Q C 1.465 177.480 176.000 0.025 0.000 0.975 16 Q CA 1.245 57.068 55.803 0.033 0.000 0.866 16 Q CB -0.510 28.246 28.738 0.030 0.000 0.915 16 Q HN 0.684 nan 8.270 nan 0.000 0.440 17 N N 0.460 119.173 118.700 0.022 0.000 2.609 17 N HA -0.036 4.704 4.740 0.001 0.000 0.190 17 N C 0.907 176.429 175.510 0.019 0.000 1.157 17 N CA 0.213 53.273 53.050 0.016 0.000 0.918 17 N CB 0.123 38.617 38.487 0.011 0.000 0.978 17 N HN 0.183 nan 8.380 nan 0.000 0.448 18 L N -0.331 120.907 121.223 0.025 0.000 2.769 18 L HA 0.251 4.591 4.340 0.001 0.000 0.240 18 L C 0.745 177.631 176.870 0.027 0.000 1.163 18 L CA -0.340 54.516 54.840 0.027 0.000 0.962 18 L CB 0.318 42.398 42.059 0.034 0.000 1.258 18 L HN 0.064 nan 8.230 nan 0.000 0.513 19 G N 1.782 110.597 108.800 0.025 0.000 2.338 19 G HA2 -0.296 3.664 3.960 0.001 0.000 0.296 19 G HA3 -0.296 3.664 3.960 0.001 0.000 0.296 19 G C -0.157 174.759 174.900 0.027 0.000 1.040 19 G CA 0.113 45.227 45.100 0.023 0.000 1.004 19 G HN 0.303 nan 8.290 nan 0.000 0.509 20 I N 0.110 120.700 120.570 0.033 0.000 2.353 20 I HA 0.221 4.391 4.170 0.001 0.000 0.293 20 I C 0.621 176.760 176.117 0.036 0.000 0.992 20 I CA -0.986 60.337 61.300 0.038 0.000 1.268 20 I CB 1.264 39.294 38.000 0.050 0.000 1.387 20 I HN 0.278 nan 8.210 nan 0.000 0.478 21 N N 8.591 127.311 118.700 0.032 0.000 2.440 21 N HA 0.080 4.820 4.740 0.001 0.000 0.265 21 N C -2.000 173.530 175.510 0.032 0.000 1.239 21 N CA -1.114 51.953 53.050 0.028 0.000 0.909 21 N CB 0.831 39.332 38.487 0.023 0.000 1.066 21 N HN 0.235 nan 8.380 nan 0.000 0.474 22 P HA 0.031 nan 4.420 nan 0.000 0.239 22 P C 0.175 177.489 177.300 0.022 0.000 1.184 22 P CA 0.459 63.580 63.100 0.035 0.000 0.760 22 P CB 0.139 31.859 31.700 0.033 0.000 0.884 23 A N -0.087 122.743 122.820 0.017 0.000 2.072 23 A HA -0.038 4.282 4.320 0.001 0.000 0.216 23 A C 1.745 179.332 177.584 0.004 0.000 1.156 23 A CA 0.905 52.947 52.037 0.008 0.000 0.701 23 A CB -0.695 18.312 19.000 0.011 0.000 0.816 23 A HN 0.104 nan 8.150 nan 0.000 0.458 24 N N -0.216 118.494 118.700 0.017 0.000 2.280 24 N HA 0.170 4.910 4.740 0.001 0.000 0.192 24 N C -0.196 175.333 175.510 0.032 0.000 1.109 24 N CA 0.267 53.331 53.050 0.022 0.000 0.855 24 N CB 0.297 38.805 38.487 0.034 0.000 0.974 24 N HN 0.430 nan 8.380 nan 0.000 0.482 25 I N 1.176 121.763 120.570 0.027 0.000 2.257 25 I HA 0.345 4.515 4.170 0.001 0.000 0.290 25 I C 0.576 176.589 176.117 -0.173 0.000 1.137 25 I CA -0.416 60.929 61.300 0.074 0.000 1.255 25 I CB 0.455 38.542 38.000 0.145 0.000 1.485 25 I HN -0.086 nan 8.210 nan 0.000 0.534 26 G N 1.933 110.548 108.800 -0.308 0.000 2.660 26 G HA2 0.241 4.201 3.960 0.001 0.000 0.290 26 G HA3 0.241 4.201 3.960 0.001 0.000 0.290 26 G C -0.133 174.519 174.900 -0.414 0.000 1.432 26 G CA -0.587 44.076 45.100 -0.729 0.000 0.807 26 G HN 0.239 nan 8.290 nan 0.000 0.485 27 F N 1.376 121.039 119.950 -0.478 0.000 2.085 27 F HA -0.225 4.302 4.527 0.000 0.000 0.299 27 F C 2.778 178.646 175.800 0.113 0.000 1.096 27 F CA 3.174 61.218 58.000 0.073 0.000 1.227 27 F CB 0.042 39.102 39.000 0.100 0.000 0.983 27 F HN 0.429 nan 8.300 nan 0.000 0.482 28 S N -2.255 113.505 115.700 0.100 0.000 2.528 28 S HA -0.008 4.462 4.470 0.001 0.000 0.219 28 S C 1.386 175.990 174.600 0.006 0.000 0.985 28 S CA 0.823 59.033 58.200 0.017 0.000 0.914 28 S CB -0.675 62.593 63.200 0.112 0.000 0.776 28 S HN 0.494 nan 8.310 nan 0.000 0.526 29 T N -0.547 114.020 114.554 0.021 0.000 2.959 29 T HA 0.417 4.767 4.350 0.001 0.000 0.254 29 T C -0.075 174.667 174.700 0.070 0.000 1.003 29 T CA -0.406 61.716 62.100 0.037 0.000 0.950 29 T CB 0.141 69.027 68.868 0.030 0.000 1.090 29 T HN 0.302 nan 8.240 nan 0.000 0.503 30 L N 3.370 124.666 121.223 0.121 0.000 2.362 30 L HA 0.768 5.108 4.340 0.001 0.000 0.275 30 L C -0.757 176.234 176.870 0.201 0.000 0.998 30 L CA -0.499 54.463 54.840 0.203 0.000 0.820 30 L CB 1.424 43.701 42.059 0.365 0.000 1.270 30 L HN 0.331 nan 8.230 nan 0.000 0.415 31 T N 2.653 117.279 114.554 0.119 0.000 2.893 31 T HA 0.685 5.035 4.350 0.001 0.000 0.291 31 T C -0.468 174.273 174.700 0.069 0.000 1.028 31 T CA -0.630 61.514 62.100 0.072 0.000 0.995 31 T CB 1.420 70.300 68.868 0.020 0.000 1.051 31 T HN 0.747 nan 8.240 nan 0.000 0.470 32 M N 2.975 122.608 119.600 0.055 0.000 1.996 32 M HA 0.352 4.832 4.480 0.001 0.000 0.268 32 M C 0.183 176.520 176.300 0.061 0.000 0.888 32 M CA -0.433 54.897 55.300 0.050 0.000 0.939 32 M CB 1.130 33.741 32.600 0.018 0.000 1.736 32 M HN 0.683 nan 8.290 nan 0.000 0.407 33 E N 1.094 121.333 120.200 0.065 0.000 2.435 33 E HA 0.099 4.449 4.350 0.001 0.000 0.195 33 E C 0.050 176.688 176.600 0.064 0.000 1.029 33 E CA 0.466 56.914 56.400 0.080 0.000 0.865 33 E CB 0.294 30.038 29.700 0.073 0.000 0.833 33 E HN 0.745 nan 8.360 nan 0.000 0.510 34 S N 0.173 115.898 115.700 0.042 0.000 2.655 34 S HA 0.142 4.612 4.470 0.001 0.000 0.266 34 S C -0.386 174.209 174.600 -0.009 0.000 1.149 34 S CA -0.568 57.641 58.200 0.015 0.000 0.818 34 S CB 1.002 64.193 63.200 -0.015 0.000 1.130 34 S HN -0.080 nan 8.310 nan 0.000 0.476 35 D N -0.432 119.945 120.400 -0.039 0.000 2.336 35 D HA 0.202 4.842 4.640 0.001 0.000 0.229 35 D C 0.898 177.113 176.300 -0.143 0.000 1.061 35 D CA 0.180 54.147 54.000 -0.055 0.000 0.875 35 D CB 0.013 40.796 40.800 -0.028 0.000 0.904 35 D HN 0.271 nan 8.370 nan 0.000 0.525 36 K N -0.665 119.612 120.400 -0.204 0.000 2.211 36 K HA 0.288 4.608 4.320 0.001 0.000 0.201 36 K C -0.257 175.917 176.600 -0.710 0.000 1.052 36 K CA 0.512 56.520 56.287 -0.465 0.000 0.973 36 K CB 0.197 32.382 32.500 -0.525 0.000 0.766 36 K HN 0.177 nan 8.250 nan 0.000 0.466 37 F N -1.083 118.831 119.950 -0.060 0.000 2.626 37 F HA 0.488 5.015 4.527 0.000 0.000 0.311 37 F C -0.539 175.243 175.800 -0.030 0.000 1.088 37 F CA -1.115 56.856 58.000 -0.048 0.000 0.949 37 F CB 1.725 40.685 39.000 -0.066 0.000 1.322 37 F HN -0.383 nan 8.300 nan 0.000 0.461 38 I N 1.697 122.395 120.570 0.213 0.000 2.647 38 I HA 0.460 4.630 4.170 0.001 0.000 0.295 38 I C -1.458 174.733 176.117 0.124 0.000 1.078 38 I CA -0.754 60.624 61.300 0.130 0.000 1.048 38 I CB 2.163 40.219 38.000 0.094 0.000 1.239 38 I HN 0.592 nan 8.210 nan 0.000 0.421 39 C N 7.631 126.987 119.300 0.093 0.000 2.397 39 C HA 0.714 5.175 4.460 0.001 0.000 0.325 39 C C -0.820 174.213 174.990 0.071 0.000 1.201 39 C CA -0.321 58.736 59.018 0.065 0.000 1.377 39 C CB -0.091 27.666 27.740 0.030 0.000 2.038 39 C HN 0.613 nan 8.230 nan 0.000 0.457 40 I N 5.097 125.707 120.570 0.066 0.000 2.493 40 I HA 0.586 4.756 4.170 0.001 0.000 0.298 40 I C 0.283 176.429 176.117 0.048 0.000 0.998 40 I CA -0.340 61.001 61.300 0.067 0.000 1.137 40 I CB 1.374 39.417 38.000 0.072 0.000 1.310 40 I HN 0.491 nan 8.210 nan 0.000 0.445 41 R N 4.586 125.113 120.500 0.045 0.000 2.265 41 R HA 0.525 4.865 4.340 0.001 0.000 0.328 41 R C -0.857 175.461 176.300 0.030 0.000 0.969 41 R CA -0.544 55.576 56.100 0.034 0.000 0.832 41 R CB 1.271 31.593 30.300 0.035 0.000 1.139 41 R HN 0.616 nan 8.270 nan 0.000 0.457 42 E N 1.863 122.077 120.200 0.023 0.000 2.288 42 E HA 0.212 4.562 4.350 0.001 0.000 0.268 42 E C -0.856 175.752 176.600 0.013 0.000 0.885 42 E CA -0.908 55.504 56.400 0.020 0.000 0.767 42 E CB 2.471 32.184 29.700 0.022 0.000 1.220 42 E HN 0.035 nan 8.360 nan 0.000 0.427 43 K N 2.879 123.286 120.400 0.012 0.000 2.291 43 K HA 0.213 4.533 4.320 0.001 0.000 0.242 43 K C -0.923 175.682 176.600 0.008 0.000 1.098 43 K CA -0.328 55.963 56.287 0.008 0.000 1.036 43 K CB 0.365 32.869 32.500 0.007 0.000 1.655 43 K HN 0.295 nan 8.250 nan 0.000 0.432 44 V N 3.057 122.975 119.914 0.008 0.000 2.403 44 V HA 0.149 4.270 4.120 0.001 0.000 0.265 44 V C 1.356 177.453 176.094 0.006 0.000 1.034 44 V CA 0.774 63.078 62.300 0.008 0.000 1.036 44 V CB -0.116 31.712 31.823 0.008 0.000 1.032 44 V HN 1.040 nan 8.190 nan 0.000 0.478 45 G N 5.444 114.248 108.800 0.006 0.000 2.559 45 G HA2 -0.287 3.673 3.960 0.001 0.000 0.282 45 G HA3 -0.287 3.673 3.960 0.001 0.000 0.282 45 G C 0.579 175.481 174.900 0.004 0.000 1.177 45 G CA 0.516 45.618 45.100 0.005 0.000 0.960 45 G HN 0.657 nan 8.290 nan 0.000 0.540 46 E N 0.882 121.083 120.200 0.002 0.000 2.526 46 E HA 0.323 4.673 4.350 0.001 0.000 0.208 46 E C 0.928 177.528 176.600 -0.000 0.000 0.997 46 E CA 0.798 57.199 56.400 0.001 0.000 0.961 46 E CB 0.346 30.046 29.700 0.000 0.000 1.030 46 E HN 0.639 nan 8.360 nan 0.000 0.483 47 Q N 0.060 119.860 119.800 -0.000 0.000 2.222 47 Q HA 0.638 4.978 4.340 0.001 0.000 0.252 47 Q C -1.042 174.957 176.000 -0.001 0.000 0.926 47 Q CA -0.597 55.205 55.803 -0.002 0.000 0.899 47 Q CB 1.633 30.369 28.738 -0.003 0.000 1.250 47 Q HN 0.043 nan 8.270 nan 0.000 0.441 48 A N 4.009 126.826 122.820 -0.005 0.000 2.304 48 A HA 0.631 4.952 4.320 0.001 0.000 0.323 48 A C -1.059 176.520 177.584 -0.007 0.000 1.195 48 A CA -0.571 51.464 52.037 -0.004 0.000 0.826 48 A CB 0.783 19.780 19.000 -0.005 0.000 1.184 48 A HN 0.858 nan 8.150 nan 0.000 0.496 49 Q N 0.561 120.360 119.800 -0.002 0.000 2.687 49 Q HA 0.765 5.105 4.340 0.001 0.000 0.305 49 Q C -1.482 174.518 176.000 0.001 0.000 1.006 49 Q CA -1.143 54.656 55.803 -0.005 0.000 0.763 49 Q CB 2.009 30.746 28.738 -0.002 0.000 1.506 49 Q HN 0.381 nan 8.270 nan 0.000 0.459 50 V N 1.022 120.935 119.914 -0.002 0.000 2.531 50 V HA 0.435 4.555 4.120 0.001 0.000 0.301 50 V C -0.717 175.383 176.094 0.009 0.000 1.034 50 V CA -0.774 61.529 62.300 0.005 0.000 0.865 50 V CB 1.771 33.591 31.823 -0.006 0.000 0.995 50 V HN 0.571 nan 8.190 nan 0.000 0.424 51 V N 6.114 126.041 119.914 0.022 0.000 2.398 51 V HA 0.543 4.663 4.120 0.001 0.000 0.286 51 V C -0.274 175.840 176.094 0.035 0.000 1.026 51 V CA -0.419 61.898 62.300 0.029 0.000 0.868 51 V CB 1.657 33.503 31.823 0.037 0.000 0.982 51 V HN 0.710 nan 8.190 nan 0.000 0.443 52 I N 5.865 126.455 120.570 0.033 0.000 2.382 52 I HA 0.452 4.622 4.170 0.001 0.000 0.285 52 I C -0.472 175.712 176.117 0.111 0.000 1.007 52 I CA -0.147 61.179 61.300 0.044 0.000 1.142 52 I CB 1.483 39.459 38.000 -0.041 0.000 1.289 52 I HN 0.465 nan 8.210 nan 0.000 0.453 53 I N 5.364 126.025 120.570 0.151 0.000 2.304 53 I HA 0.189 4.359 4.170 0.001 0.000 0.291 53 I C -0.115 176.137 176.117 0.226 0.000 1.018 53 I CA -0.386 61.004 61.300 0.151 0.000 1.260 53 I CB 0.880 38.938 38.000 0.098 0.000 1.390 53 I HN 0.483 nan 8.210 nan 0.000 0.475 54 D N 7.974 128.494 120.400 0.200 0.000 2.380 54 D HA 0.126 4.766 4.640 0.001 0.000 0.230 54 D C 0.884 177.129 176.300 -0.092 0.000 1.154 54 D CA -0.410 53.618 54.000 0.048 0.000 0.859 54 D CB 1.005 41.885 40.800 0.133 0.000 1.045 54 D HN 0.341 nan 8.370 nan 0.000 0.495 55 M N 2.937 122.425 119.600 -0.187 0.000 2.771 55 M HA -0.094 4.386 4.480 0.001 0.000 0.246 55 M C 0.381 176.601 176.300 -0.133 0.000 1.054 55 M CA 0.577 55.797 55.300 -0.134 0.000 1.068 55 M CB -1.292 31.217 32.600 -0.151 0.000 1.452 55 M HN 0.343 nan 8.290 nan 0.000 0.549 56 N N 0.492 119.102 118.700 -0.150 0.000 2.273 56 N HA 0.025 4.766 4.740 0.001 0.000 0.231 56 N C -0.690 174.786 175.510 -0.057 0.000 1.134 56 N CA 0.011 52.996 53.050 -0.109 0.000 0.856 56 N CB 0.529 38.936 38.487 -0.134 0.000 1.068 56 N HN 0.105 nan 8.380 nan 0.000 0.510 57 D N -1.278 119.101 120.400 -0.035 0.000 3.706 57 D HA -0.009 4.631 4.640 0.001 0.000 0.189 57 D C -2.315 173.988 176.300 0.005 0.000 1.335 57 D CA -0.586 53.409 54.000 -0.009 0.000 1.472 57 D CB 0.286 41.085 40.800 -0.002 0.000 1.083 57 D HN -0.038 nan 8.370 nan 0.000 0.828 58 P HA -0.085 nan 4.420 nan 0.000 0.226 58 P C 1.214 178.530 177.300 0.026 0.000 1.153 58 P CA 0.654 63.766 63.100 0.020 0.000 0.777 58 P CB 0.062 31.775 31.700 0.021 0.000 0.794 59 S N -0.501 115.211 115.700 0.019 0.000 2.469 59 S HA -0.053 4.417 4.470 0.001 0.000 0.238 59 S C 0.896 175.510 174.600 0.022 0.000 0.998 59 S CA 0.488 58.699 58.200 0.018 0.000 0.957 59 S CB -0.817 62.391 63.200 0.012 0.000 0.764 59 S HN 0.226 nan 8.310 nan 0.000 0.514 60 N N 2.222 120.938 118.700 0.027 0.000 2.790 60 N HA 0.349 5.089 4.740 0.001 0.000 0.256 60 N C -3.194 172.341 175.510 0.042 0.000 1.409 60 N CA -1.013 52.055 53.050 0.030 0.000 0.799 60 N CB 1.048 39.550 38.487 0.026 0.000 1.170 60 N HN 0.182 nan 8.380 nan 0.000 0.507 61 P HA 0.152 nan 4.420 nan 0.000 0.271 61 P C -0.151 177.178 177.300 0.047 0.000 1.233 61 P CA -0.015 63.116 63.100 0.053 0.000 0.795 61 P CB 0.925 32.653 31.700 0.046 0.000 0.936 62 I N 0.605 121.204 120.570 0.047 0.000 2.418 62 I HA 0.379 4.549 4.170 0.001 0.000 0.287 62 I C 0.516 176.648 176.117 0.024 0.000 1.008 62 I CA -0.260 61.061 61.300 0.034 0.000 1.104 62 I CB 1.566 39.585 38.000 0.032 0.000 1.264 62 I HN 0.129 nan 8.210 nan 0.000 0.438 63 R N 5.461 125.972 120.500 0.019 0.000 2.664 63 R HA 0.750 5.091 4.340 0.001 0.000 0.286 63 R C -1.022 175.281 176.300 0.004 0.000 0.967 63 R CA -0.918 55.189 56.100 0.012 0.000 0.933 63 R CB 1.420 31.728 30.300 0.014 0.000 1.146 63 R HN 0.455 nan 8.270 nan 0.000 0.468 64 R N 2.554 123.050 120.500 -0.006 0.000 2.604 64 R HA 0.336 4.676 4.340 0.001 0.000 0.270 64 R C -2.906 173.376 176.300 -0.030 0.000 1.052 64 R CA -2.294 53.793 56.100 -0.021 0.000 0.902 64 R CB 1.787 32.065 30.300 -0.037 0.000 1.233 64 R HN 0.465 nan 8.270 nan 0.000 0.455 65 P HA 0.423 nan 4.420 nan 0.000 0.281 65 P C -0.442 176.825 177.300 -0.056 0.000 1.252 65 P CA -0.210 62.870 63.100 -0.033 0.000 0.778 65 P CB 0.734 32.417 31.700 -0.028 0.000 0.895 66 I N 1.457 121.998 120.570 -0.048 0.000 2.686 66 I HA 0.051 4.222 4.170 0.001 0.000 0.280 66 I C -0.480 175.615 176.117 -0.036 0.000 1.322 66 I CA -0.251 61.011 61.300 -0.064 0.000 1.107 66 I CB 1.589 39.542 38.000 -0.079 0.000 1.366 66 I HN 0.119 nan 8.210 nan 0.000 0.443 67 S N 4.432 120.111 115.700 -0.034 0.000 2.499 67 S HA 0.808 5.278 4.470 0.001 0.000 0.275 67 S C -0.169 174.422 174.600 -0.015 0.000 1.257 67 S CA -0.219 57.969 58.200 -0.020 0.000 1.050 67 S CB 1.006 64.194 63.200 -0.020 0.000 0.937 67 S HN 0.660 nan 8.310 nan 0.000 0.490 68 A N 3.388 126.206 122.820 -0.002 0.000 2.555 68 A HA 0.417 4.738 4.320 0.001 0.000 0.297 68 A C 0.253 177.842 177.584 0.008 0.000 1.060 68 A CA -0.612 51.431 52.037 0.010 0.000 0.710 68 A CB 0.865 19.890 19.000 0.042 0.000 1.282 68 A HN 0.663 nan 8.150 nan 0.000 0.399 69 D N 0.455 120.846 120.400 -0.015 0.000 2.218 69 D HA 0.012 4.653 4.640 0.001 0.000 0.204 69 D C 0.642 176.943 176.300 0.001 0.000 0.976 69 D CA 2.338 56.322 54.000 -0.028 0.000 0.853 69 D CB 0.476 41.228 40.800 -0.080 0.000 0.939 69 D HN 0.589 nan 8.370 nan 0.000 0.481 70 S N -1.617 114.111 115.700 0.047 0.000 2.567 70 S HA 0.606 5.076 4.470 0.001 0.000 0.270 70 S C -1.994 172.780 174.600 0.291 0.000 1.152 70 S CA -0.478 57.816 58.200 0.157 0.000 0.835 70 S CB 1.840 65.156 63.200 0.194 0.000 1.115 70 S HN 0.059 nan 8.310 nan 0.000 0.459 71 A N 2.769 125.748 122.820 0.265 0.000 2.459 71 A HA 0.804 5.124 4.320 0.001 0.000 0.296 71 A C -0.914 176.735 177.584 0.108 0.000 1.039 71 A CA -0.704 51.463 52.037 0.217 0.000 0.698 71 A CB 0.924 19.993 19.000 0.116 0.000 1.261 71 A HN 1.522 nan 8.150 nan 0.000 0.405 72 I N -0.496 120.083 120.570 0.015 0.000 2.607 72 I HA 0.595 4.766 4.170 0.001 0.000 0.290 72 I C -0.692 175.454 176.117 0.048 0.000 1.129 72 I CA -0.913 60.370 61.300 -0.029 0.000 1.042 72 I CB 1.926 39.804 38.000 -0.204 0.000 1.242 72 I HN 0.464 nan 8.210 nan 0.000 0.421 73 M N 3.507 123.069 119.600 -0.064 0.000 2.247 73 M HA 0.273 4.753 4.480 0.001 0.000 0.326 73 M C 0.063 175.985 176.300 -0.631 0.000 1.134 73 M CA -0.207 54.936 55.300 -0.261 0.000 1.136 73 M CB 0.925 33.348 32.600 -0.295 0.000 1.454 73 M HN 0.720 nan 8.290 nan 0.000 0.467 74 N N 1.660 119.825 118.700 -0.891 0.000 2.479 74 N HA 0.078 4.818 4.740 0.001 0.000 0.257 74 N C -1.973 173.160 175.510 -0.629 0.000 1.232 74 N CA -0.776 51.449 53.050 -1.375 0.000 0.920 74 N CB 0.746 38.626 38.487 -1.011 0.000 1.105 74 N HN 0.249 nan 8.380 nan 0.000 0.444 75 P HA 0.016 nan 4.420 nan 0.000 0.228 75 P C -0.438 176.803 177.300 -0.098 0.000 1.151 75 P CA 1.031 64.026 63.100 -0.176 0.000 0.770 75 P CB 0.410 32.056 31.700 -0.089 0.000 0.786 76 A N -2.564 120.184 122.820 -0.120 0.000 2.533 76 A HA 0.287 4.608 4.320 0.001 0.000 0.180 76 A C 0.692 178.291 177.584 0.025 0.000 1.566 76 A CA 0.185 52.195 52.037 -0.045 0.000 1.153 76 A CB 0.039 18.996 19.000 -0.072 0.000 1.462 76 A HN 0.184 nan 8.150 nan 0.000 0.523 77 S N -0.052 115.628 115.700 -0.034 0.000 2.677 77 S HA 0.518 4.988 4.470 0.001 0.000 0.304 77 S C -0.487 174.064 174.600 -0.081 0.000 1.108 77 S CA -0.804 57.383 58.200 -0.022 0.000 0.944 77 S CB 1.093 64.231 63.200 -0.103 0.000 1.127 77 S HN 0.158 nan 8.310 nan 0.000 0.511 78 K N 1.465 121.813 120.400 -0.087 0.000 2.715 78 K HA 0.299 4.619 4.320 0.001 0.000 0.248 78 K C -0.957 175.503 176.600 -0.233 0.000 1.276 78 K CA -0.078 56.063 56.287 -0.243 0.000 1.209 78 K CB -0.656 31.771 32.500 -0.123 0.000 1.509 78 K HN 0.339 nan 8.250 nan 0.000 0.261 79 V N 2.349 122.096 119.914 -0.278 0.000 2.588 79 V HA 0.455 4.576 4.120 0.001 0.000 0.304 79 V C -0.320 175.662 176.094 -0.186 0.000 1.042 79 V CA -0.977 61.209 62.300 -0.189 0.000 0.877 79 V CB 2.318 34.030 31.823 -0.184 0.000 0.996 79 V HN 0.442 nan 8.190 nan 0.000 0.425 80 I N 3.091 123.657 120.570 -0.006 0.000 2.646 80 I HA 0.835 5.005 4.170 0.001 0.000 0.299 80 I C -0.194 176.039 176.117 0.192 0.000 1.036 80 I CA -0.820 60.512 61.300 0.053 0.000 1.074 80 I CB 2.088 40.112 38.000 0.039 0.000 1.258 80 I HN 0.708 nan 8.210 nan 0.000 0.430 81 A N 8.215 131.153 122.820 0.198 0.000 2.277 81 A HA 0.662 4.982 4.320 0.001 0.000 0.318 81 A C -1.121 176.661 177.584 0.329 0.000 1.339 81 A CA -0.450 51.679 52.037 0.154 0.000 0.875 81 A CB 0.284 19.120 19.000 -0.274 0.000 1.158 81 A HN 0.621 nan 8.150 nan 0.000 0.514 82 L N 2.169 123.640 121.223 0.413 0.000 2.325 82 L HA 0.549 4.890 4.340 0.001 0.000 0.279 82 L C 0.457 177.571 176.870 0.406 0.000 1.054 82 L CA -0.421 54.653 54.840 0.390 0.000 0.804 82 L CB 1.616 43.781 42.059 0.176 0.000 1.200 82 L HN 0.711 nan 8.230 nan 0.000 0.436 83 K N 2.655 123.181 120.400 0.210 0.000 2.450 83 K HA 0.700 5.020 4.320 0.001 0.000 0.257 83 K C -1.160 175.380 176.600 -0.100 0.000 0.953 83 K CA -0.559 55.653 56.287 -0.125 0.000 0.844 83 K CB 1.749 33.823 32.500 -0.710 0.000 1.103 83 K HN 0.671 nan 8.250 nan 0.000 0.429 84 A N 3.851 126.624 122.820 -0.078 0.000 2.736 84 A HA 0.531 4.851 4.320 0.001 0.000 0.335 84 A C 1.014 178.540 177.584 -0.096 0.000 1.446 84 A CA 0.209 52.207 52.037 -0.066 0.000 1.028 84 A CB -0.262 18.716 19.000 -0.035 0.000 1.154 84 A HN 1.173 nan 8.150 nan 0.000 0.507 85 G N 1.932 110.661 108.800 -0.119 0.000 5.260 85 G HA2 -0.397 3.563 3.960 0.001 0.000 0.276 85 G HA3 -0.397 3.563 3.960 0.001 0.000 0.276 85 G C 1.059 175.866 174.900 -0.154 0.000 1.357 85 G CA 1.360 46.387 45.100 -0.121 0.000 1.008 85 G HN 0.752 nan 8.290 nan 0.000 0.777 86 K N -0.219 120.095 120.400 -0.144 0.000 2.558 86 K HA 0.254 4.575 4.320 0.001 0.000 0.215 86 K C -0.251 176.255 176.600 -0.155 0.000 1.298 86 K CA 0.583 56.772 56.287 -0.163 0.000 1.008 86 K CB 1.086 33.501 32.500 -0.142 0.000 1.073 86 K HN 0.330 nan 8.250 nan 0.000 0.606 87 T N 2.601 117.084 114.554 -0.119 0.000 2.762 87 T HA 0.365 4.715 4.350 0.001 0.000 0.303 87 T C -0.106 174.580 174.700 -0.025 0.000 0.977 87 T CA -0.343 61.712 62.100 -0.075 0.000 0.961 87 T CB 0.486 69.327 68.868 -0.045 0.000 0.944 87 T HN 0.043 nan 8.240 nan 0.000 0.481 88 L N 3.288 124.526 121.223 0.025 0.000 2.375 88 L HA 0.588 4.928 4.340 0.001 0.000 0.271 88 L C 0.296 177.391 176.870 0.375 0.000 1.107 88 L CA -0.685 54.275 54.840 0.199 0.000 0.806 88 L CB 0.851 43.083 42.059 0.289 0.000 1.146 88 L HN 0.522 nan 8.230 nan 0.000 0.447 89 Q N 1.921 121.981 119.800 0.433 0.000 2.379 89 Q HA 0.598 4.938 4.340 0.001 0.000 0.278 89 Q C -1.424 174.776 176.000 0.334 0.000 1.068 89 Q CA -0.424 55.602 55.803 0.371 0.000 0.816 89 Q CB 2.895 31.782 28.738 0.248 0.000 1.387 89 Q HN 0.541 nan 8.270 nan 0.000 0.413 90 I N 3.732 124.432 120.570 0.217 0.000 2.495 90 I HA 0.320 4.490 4.170 0.001 0.000 0.277 90 I C -1.149 175.069 176.117 0.169 0.000 1.045 90 I CA -0.513 60.856 61.300 0.114 0.000 1.135 90 I CB 0.728 38.640 38.000 -0.147 0.000 1.241 90 I HN 0.528 nan 8.210 nan 0.000 0.469 91 F N 6.454 126.428 119.950 0.041 0.000 2.432 91 F HA 0.440 4.967 4.527 0.001 0.000 0.329 91 F C 0.374 176.165 175.800 -0.015 0.000 1.076 91 F CA -0.461 57.549 58.000 0.018 0.000 1.018 91 F CB 1.204 40.221 39.000 0.028 0.000 1.201 91 F HN 0.320 nan 8.300 nan 0.000 0.489 92 N N 6.520 124.769 118.700 -0.752 0.000 2.678 92 N HA 0.119 4.860 4.740 0.001 0.000 0.231 92 N C 1.013 176.222 175.510 -0.501 0.000 1.038 92 N CA -0.192 52.568 53.050 -0.484 0.000 0.932 92 N CB 0.277 38.520 38.487 -0.408 0.000 1.176 92 N HN 0.659 nan 8.380 nan 0.000 0.511 93 I N 1.870 122.393 120.570 -0.079 0.000 2.145 93 I HA -0.290 3.881 4.170 0.001 0.000 0.244 93 I C 2.129 178.246 176.117 0.000 0.000 1.075 93 I CA 1.290 62.656 61.300 0.109 0.000 1.332 93 I CB -0.774 37.228 38.000 0.005 0.000 1.033 93 I HN 0.593 nan 8.210 nan 0.000 0.410 94 E N 2.032 122.187 120.200 -0.075 0.000 2.055 94 E HA -0.254 4.097 4.350 0.001 0.000 0.209 94 E C 1.703 178.267 176.600 -0.060 0.000 1.036 94 E CA 2.198 58.561 56.400 -0.061 0.000 0.849 94 E CB -0.369 29.286 29.700 -0.076 0.000 0.767 94 E HN 0.572 nan 8.360 nan 0.000 0.461 95 M N -1.424 118.107 119.600 -0.116 0.000 2.771 95 M HA 0.388 4.868 4.480 0.001 0.000 0.341 95 M C -0.307 175.902 176.300 -0.153 0.000 1.226 95 M CA -0.247 54.990 55.300 -0.105 0.000 0.955 95 M CB 0.845 33.384 32.600 -0.101 0.000 1.318 95 M HN -0.177 nan 8.290 nan 0.000 0.514 96 K N 0.978 121.284 120.400 -0.156 0.000 2.852 96 K HA -0.157 4.163 4.320 0.001 0.000 0.248 96 K C -0.581 175.782 176.600 -0.395 0.000 0.967 96 K CA 1.159 57.393 56.287 -0.088 0.000 0.724 96 K CB -1.835 30.796 32.500 0.219 0.000 1.223 96 K HN 0.806 nan 8.250 nan 0.000 0.480 97 S N 0.508 115.820 115.700 -0.646 0.000 2.616 97 S HA 0.372 4.842 4.470 0.001 0.000 0.277 97 S C 0.081 174.298 174.600 -0.639 0.000 1.234 97 S CA -1.015 56.930 58.200 -0.425 0.000 1.028 97 S CB 2.452 65.509 63.200 -0.240 0.000 0.988 97 S HN 0.250 nan 8.310 nan 0.000 0.522 98 K N 1.307 121.628 120.400 -0.132 0.000 2.263 98 K HA 0.324 4.644 4.320 0.001 0.000 0.282 98 K C 0.618 177.224 176.600 0.010 0.000 1.089 98 K CA -0.243 56.092 56.287 0.079 0.000 0.907 98 K CB 0.110 32.768 32.500 0.263 0.000 1.148 98 K HN 0.683 nan 8.250 nan 0.000 0.470 99 M N 2.747 122.330 119.600 -0.030 0.000 2.254 99 M HA -0.061 4.419 4.480 0.001 0.000 0.265 99 M C 0.275 176.591 176.300 0.026 0.000 1.066 99 M CA 1.228 56.512 55.300 -0.026 0.000 1.123 99 M CB 0.065 32.628 32.600 -0.062 0.000 1.388 99 M HN 0.542 nan 8.290 nan 0.000 0.425 100 K N -0.883 119.569 120.400 0.086 0.000 2.768 100 K HA 0.520 4.840 4.320 0.001 0.000 0.283 100 K C -2.234 174.554 176.600 0.313 0.000 1.078 100 K CA -0.362 56.018 56.287 0.155 0.000 0.920 100 K CB 0.837 33.359 32.500 0.037 0.000 1.390 100 K HN -0.015 nan 8.250 nan 0.000 0.389 101 A N 2.043 125.128 122.820 0.441 0.000 2.504 101 A HA 0.857 5.177 4.320 0.001 0.000 0.285 101 A C -1.651 176.208 177.584 0.457 0.000 1.261 101 A CA -0.294 52.054 52.037 0.519 0.000 0.741 101 A CB 1.453 20.619 19.000 0.276 0.000 1.327 101 A HN 0.963 nan 8.150 nan 0.000 0.441 102 H N -1.014 118.087 119.070 0.052 0.000 3.179 102 H HA 0.354 4.910 4.556 0.000 0.000 0.301 102 H C -1.430 173.756 175.328 -0.237 0.000 1.382 102 H CA 0.067 55.985 56.048 -0.216 0.000 1.605 102 H CB 0.720 30.074 29.762 -0.680 0.000 2.343 102 H HN 0.593 nan 8.280 nan 0.000 0.372 103 T N 7.050 121.298 114.554 -0.510 0.000 2.737 103 T HA 0.180 4.530 4.350 0.001 0.000 0.296 103 T C 0.799 175.184 174.700 -0.526 0.000 0.922 103 T CA -0.580 61.290 62.100 -0.383 0.000 1.079 103 T CB 0.103 68.803 68.868 -0.280 0.000 0.892 103 T HN 0.398 nan 8.240 nan 0.000 0.514 104 M N 2.185 121.621 119.600 -0.273 0.000 2.198 104 M HA 0.125 4.605 4.480 0.001 0.000 0.315 104 M C 1.832 178.003 176.300 -0.215 0.000 1.134 104 M CA 0.245 55.419 55.300 -0.209 0.000 1.171 104 M CB 0.263 32.732 32.600 -0.218 0.000 1.413 104 M HN 0.544 nan 8.290 nan 0.000 0.467 105 T N 0.333 114.779 114.554 -0.181 0.000 2.937 105 T HA -0.020 4.330 4.350 0.001 0.000 0.260 105 T C -0.168 174.460 174.700 -0.120 0.000 1.051 105 T CA 0.914 62.931 62.100 -0.137 0.000 1.141 105 T CB 0.088 68.896 68.868 -0.100 0.000 0.879 105 T HN 0.642 nan 8.240 nan 0.000 0.459 106 D N 0.727 121.047 120.400 -0.133 0.000 2.414 106 D HA 0.353 4.993 4.640 0.001 0.000 0.241 106 D C -0.955 175.263 176.300 -0.136 0.000 1.008 106 D CA -0.814 53.122 54.000 -0.107 0.000 1.001 106 D CB 0.530 41.286 40.800 -0.074 0.000 1.277 106 D HN -0.025 nan 8.370 nan 0.000 0.538 107 D N 0.115 120.447 120.400 -0.112 0.000 2.351 107 D HA 0.144 4.785 4.640 0.001 0.000 0.251 107 D C -0.004 176.212 176.300 -0.141 0.000 1.137 107 D CA -0.232 53.688 54.000 -0.133 0.000 0.879 107 D CB 1.295 42.033 40.800 -0.103 0.000 1.181 107 D HN 0.049 nan 8.370 nan 0.000 0.448 108 V N 2.861 122.650 119.914 -0.208 0.000 2.485 108 V HA -0.043 4.077 4.120 0.001 0.000 0.287 108 V C 1.607 177.620 176.094 -0.136 0.000 1.022 108 V CA 0.478 62.660 62.300 -0.197 0.000 1.067 108 V CB 0.923 32.545 31.823 -0.334 0.000 0.967 108 V HN 0.628 nan 8.190 nan 0.000 0.479 109 T N 5.288 119.837 114.554 -0.007 0.000 3.107 109 T HA 0.291 4.641 4.350 0.001 0.000 0.249 109 T C -0.317 174.522 174.700 0.233 0.000 1.096 109 T CA 0.338 62.483 62.100 0.074 0.000 1.012 109 T CB -0.374 68.546 68.868 0.086 0.000 0.977 109 T HN 0.557 nan 8.240 nan 0.000 0.527 110 F N 1.214 121.197 119.950 0.054 0.000 2.740 110 F HA 0.457 4.984 4.527 0.000 0.000 0.312 110 F C -2.442 173.523 175.800 0.275 0.000 1.121 110 F CA -1.223 56.885 58.000 0.179 0.000 0.977 110 F CB 0.764 39.888 39.000 0.206 0.000 1.265 110 F HN 0.065 nan 8.300 nan 0.000 0.443 111 W N 4.617 125.662 121.300 -0.425 0.000 2.988 111 W HA 0.764 5.424 4.660 0.001 0.000 0.355 111 W C -2.186 174.168 176.519 -0.275 0.000 1.233 111 W CA -1.775 55.487 57.345 -0.137 0.000 1.176 111 W CB 0.867 30.264 29.460 -0.105 0.000 1.477 111 W HN 0.906 nan 8.180 nan 0.000 0.582 112 K N 1.016 121.343 120.400 -0.122 0.000 2.669 112 K HA 0.180 4.501 4.320 0.001 0.000 0.274 112 K C -1.968 174.600 176.600 -0.053 0.000 1.057 112 K CA -0.455 55.759 56.287 -0.121 0.000 1.001 112 K CB 0.192 32.807 32.500 0.191 0.000 1.384 112 K HN 0.416 nan 8.250 nan 0.000 0.418 113 W N 5.860 127.085 121.300 -0.125 0.000 2.347 113 W HA 0.146 4.806 4.660 0.000 0.000 0.333 113 W C 1.474 178.007 176.519 0.025 0.000 1.383 113 W CA -0.090 57.214 57.345 -0.070 0.000 1.283 113 W CB 0.345 29.747 29.460 -0.096 0.000 1.253 113 W HN 0.552 nan 8.180 nan 0.000 0.563 114 I N 0.971 121.673 120.570 0.221 0.000 3.976 114 I HA 0.360 4.530 4.170 0.001 0.000 0.337 114 I C 0.394 176.611 176.117 0.167 0.000 1.359 114 I CA -0.102 61.306 61.300 0.180 0.000 1.098 114 I CB -0.328 37.738 38.000 0.111 0.000 1.027 114 I HN 0.239 nan 8.210 nan 0.000 0.394 115 S N -0.359 115.477 115.700 0.227 0.000 2.656 115 S HA 0.271 4.742 4.470 0.001 0.000 0.265 115 S C 0.243 174.968 174.600 0.209 0.000 1.110 115 S CA -0.839 57.467 58.200 0.177 0.000 0.821 115 S CB 0.597 63.877 63.200 0.133 0.000 1.099 115 S HN -0.033 nan 8.310 nan 0.000 0.471 116 L N 1.653 122.939 121.223 0.106 0.000 2.357 116 L HA -0.028 4.312 4.340 0.001 0.000 0.220 116 L C 1.364 178.294 176.870 0.099 0.000 1.123 116 L CA 2.340 57.204 54.840 0.040 0.000 0.782 116 L CB -1.873 40.194 42.059 0.015 0.000 0.910 116 L HN 1.006 nan 8.230 nan 0.000 0.442 117 N N -2.701 116.136 118.700 0.228 0.000 2.423 117 N HA -0.002 4.738 4.740 0.001 0.000 0.262 117 N C -0.564 175.091 175.510 0.241 0.000 1.467 117 N CA -0.103 53.130 53.050 0.306 0.000 0.847 117 N CB 0.525 39.091 38.487 0.132 0.000 1.394 117 N HN -0.071 nan 8.380 nan 0.000 0.495 118 T N 0.566 115.255 114.554 0.226 0.000 2.921 118 T HA 0.432 4.783 4.350 0.001 0.000 0.297 118 T C -0.483 174.087 174.700 -0.217 0.000 1.013 118 T CA -0.346 61.745 62.100 -0.013 0.000 0.990 118 T CB 2.533 71.429 68.868 0.046 0.000 1.023 118 T HN -0.023 nan 8.240 nan 0.000 0.447 119 V N 2.027 121.663 119.914 -0.463 0.000 2.713 119 V HA 0.864 4.984 4.120 0.001 0.000 0.307 119 V C 0.180 176.178 176.094 -0.159 0.000 1.052 119 V CA -0.955 60.993 62.300 -0.586 0.000 0.967 119 V CB 1.642 33.010 31.823 -0.759 0.000 1.019 119 V HN 1.065 nan 8.190 nan 0.000 0.459 120 A N 4.889 127.665 122.820 -0.074 0.000 2.304 120 A HA 0.831 5.152 4.320 0.001 0.000 0.314 120 A C -0.837 176.838 177.584 0.152 0.000 1.187 120 A CA -0.507 51.548 52.037 0.030 0.000 0.810 120 A CB 0.470 19.493 19.000 0.038 0.000 1.183 120 A HN 0.782 nan 8.150 nan 0.000 0.487 121 L N 3.056 124.386 121.223 0.178 0.000 2.287 121 L HA 0.562 4.903 4.340 0.001 0.000 0.287 121 L C -0.703 176.257 176.870 0.149 0.000 1.022 121 L CA -0.919 54.037 54.840 0.194 0.000 0.814 121 L CB 1.516 43.615 42.059 0.066 0.000 1.217 121 L HN 0.343 nan 8.230 nan 0.000 0.420 122 V N 2.511 122.523 119.914 0.163 0.000 2.347 122 V HA 0.379 4.499 4.120 0.001 0.000 0.280 122 V C 0.409 176.559 176.094 0.094 0.000 1.021 122 V CA -0.160 62.200 62.300 0.100 0.000 0.847 122 V CB 1.691 33.595 31.823 0.135 0.000 0.990 122 V HN 0.805 nan 8.190 nan 0.000 0.444 123 T N 2.488 117.095 114.554 0.088 0.000 2.923 123 T HA 0.161 4.511 4.350 0.001 0.000 0.281 123 T C 0.967 175.696 174.700 0.048 0.000 0.995 123 T CA -0.180 61.955 62.100 0.058 0.000 0.985 123 T CB 1.429 70.373 68.868 0.128 0.000 1.114 123 T HN 0.846 nan 8.240 nan 0.000 0.548 124 D N -0.064 120.355 120.400 0.032 0.000 2.309 124 D HA -0.073 4.567 4.640 0.001 0.000 0.212 124 D C 1.352 177.668 176.300 0.027 0.000 0.968 124 D CA 1.231 55.249 54.000 0.030 0.000 0.882 124 D CB 0.146 40.957 40.800 0.018 0.000 0.918 124 D HN 0.578 nan 8.370 nan 0.000 0.503 125 N N -1.165 117.551 118.700 0.026 0.000 2.297 125 N HA 0.302 5.042 4.740 0.001 0.000 0.208 125 N C -0.251 175.235 175.510 -0.039 0.000 1.176 125 N CA 0.040 53.094 53.050 0.007 0.000 0.882 125 N CB 0.905 39.396 38.487 0.007 0.000 1.134 125 N HN 0.060 nan 8.380 nan 0.000 0.489 126 A N -0.015 122.784 122.820 -0.035 0.000 2.594 126 A HA 0.723 5.043 4.320 0.001 0.000 0.291 126 A C -1.581 175.821 177.584 -0.304 0.000 1.105 126 A CA -0.655 51.223 52.037 -0.265 0.000 0.694 126 A CB 1.388 20.121 19.000 -0.445 0.000 1.291 126 A HN -0.064 nan 8.150 nan 0.000 0.410 127 V N 1.432 120.884 119.914 -0.768 0.000 2.435 127 V HA 0.585 4.706 4.120 0.001 0.000 0.290 127 V C -0.985 174.695 176.094 -0.691 0.000 1.030 127 V CA -0.238 61.667 62.300 -0.658 0.000 0.881 127 V CB 0.838 31.978 31.823 -1.138 0.000 0.983 127 V HN 0.769 nan 8.190 nan 0.000 0.445 128 Y N 1.904 122.066 120.300 -0.231 0.000 2.686 128 Y HA 0.648 5.198 4.550 0.000 0.000 0.330 128 Y C 0.182 176.187 175.900 0.175 0.000 1.082 128 Y CA -1.394 56.642 58.100 -0.107 0.000 1.158 128 Y CB 1.340 39.729 38.460 -0.118 0.000 1.333 128 Y HN 0.560 nan 8.280 nan 0.000 0.519 129 H N -0.600 118.549 119.070 0.132 0.000 2.877 129 H HA 0.136 4.692 4.556 0.000 0.000 0.347 129 H C -1.924 173.528 175.328 0.207 0.000 1.042 129 H CA -0.737 55.398 56.048 0.145 0.000 1.276 129 H CB 1.688 31.533 29.762 0.137 0.000 1.681 129 H HN 0.624 nan 8.280 nan 0.000 0.521 130 W N 4.026 125.354 121.300 0.046 0.000 2.361 130 W HA 0.304 4.964 4.660 0.000 0.000 0.314 130 W C -0.390 176.101 176.519 -0.047 0.000 1.041 130 W CA -0.949 56.377 57.345 -0.032 0.000 1.241 130 W CB 1.638 31.038 29.460 -0.100 0.000 1.279 130 W HN 0.370 nan 8.180 nan 0.000 0.436 131 S N 6.159 121.919 115.700 0.101 0.000 2.545 131 S HA 0.222 4.693 4.470 0.001 0.000 0.275 131 S C 1.200 175.607 174.600 -0.322 0.000 1.299 131 S CA -0.575 57.584 58.200 -0.067 0.000 1.048 131 S CB 0.611 63.837 63.200 0.043 0.000 0.938 131 S HN 0.602 nan 8.310 nan 0.000 0.496 132 M N 1.480 120.915 119.600 -0.275 0.000 2.682 132 M HA 0.371 4.852 4.480 0.001 0.000 0.235 132 M C -0.139 176.071 176.300 -0.150 0.000 1.114 132 M CA 0.443 55.560 55.300 -0.305 0.000 1.053 132 M CB -0.231 32.341 32.600 -0.046 0.000 1.599 132 M HN 0.339 nan 8.290 nan 0.000 0.520 133 E N 1.664 121.814 120.200 -0.083 0.000 2.231 133 E HA 0.669 5.019 4.350 0.001 0.000 0.277 133 E C 0.625 177.228 176.600 0.005 0.000 0.999 133 E CA 0.626 57.012 56.400 -0.023 0.000 0.827 133 E CB 1.297 31.001 29.700 0.007 0.000 1.101 133 E HN 0.474 nan 8.360 nan 0.000 0.393 134 G N 2.865 111.676 108.800 0.017 0.000 2.641 134 G HA2 -0.328 3.632 3.960 0.001 0.000 0.254 134 G HA3 -0.328 3.632 3.960 0.001 0.000 0.254 134 G C 0.522 175.468 174.900 0.077 0.000 1.315 134 G CA 0.295 45.421 45.100 0.044 0.000 0.907 134 G HN 0.530 nan 8.290 nan 0.000 0.572 135 E N 0.296 120.550 120.200 0.090 0.000 2.478 135 E HA 0.290 4.640 4.350 0.001 0.000 0.194 135 E C 1.890 178.586 176.600 0.161 0.000 1.045 135 E CA 0.935 57.406 56.400 0.118 0.000 0.868 135 E CB -0.043 29.709 29.700 0.088 0.000 0.885 135 E HN 0.930 nan 8.360 nan 0.000 0.505 136 S N -0.006 115.789 115.700 0.159 0.000 2.537 136 S HA -0.116 4.354 4.470 0.001 0.000 0.280 136 S C 0.386 175.152 174.600 0.276 0.000 1.335 136 S CA 0.220 58.531 58.200 0.186 0.000 1.025 136 S CB 0.572 63.878 63.200 0.177 0.000 0.836 136 S HN 0.158 nan 8.310 nan 0.000 0.523 137 Q N 1.423 121.324 119.800 0.169 0.000 2.495 137 Q HA 0.514 4.854 4.340 0.001 0.000 0.283 137 Q C -2.615 173.310 176.000 -0.124 0.000 1.097 137 Q CA -2.551 53.248 55.803 -0.006 0.000 0.836 137 Q CB 1.205 29.924 28.738 -0.031 0.000 1.426 137 Q HN 0.497 nan 8.270 nan 0.000 0.459 138 P HA -0.027 nan 4.420 nan 0.000 0.265 138 P C -1.220 176.064 177.300 -0.028 0.000 1.187 138 P CA 0.264 63.154 63.100 -0.351 0.000 0.766 138 P CB 0.404 31.670 31.700 -0.722 0.000 0.820 139 V N 4.325 124.299 119.914 0.100 0.000 2.325 139 V HA 0.184 4.304 4.120 0.001 0.000 0.280 139 V C 0.499 176.573 176.094 -0.033 0.000 1.016 139 V CA -0.856 61.480 62.300 0.060 0.000 0.818 139 V CB 0.939 32.791 31.823 0.049 0.000 1.019 139 V HN 0.476 nan 8.190 nan 0.000 0.434 140 K N 4.275 124.593 120.400 -0.138 0.000 2.550 140 K HA 0.010 4.330 4.320 0.001 0.000 0.280 140 K C 0.943 177.307 176.600 -0.393 0.000 0.987 140 K CA 0.554 56.514 56.287 -0.545 0.000 1.048 140 K CB 0.439 32.602 32.500 -0.561 0.000 0.879 140 K HN 0.536 nan 8.250 nan 0.000 0.491 141 M N 4.020 123.318 119.600 -0.503 0.000 2.571 141 M HA 0.181 4.662 4.480 0.001 0.000 0.259 141 M C -0.102 176.042 176.300 -0.261 0.000 1.205 141 M CA 0.577 55.686 55.300 -0.318 0.000 1.138 141 M CB -0.416 31.972 32.600 -0.354 0.000 1.329 141 M HN 0.624 nan 8.290 nan 0.000 0.503 142 F N -2.493 117.118 119.950 -0.565 0.000 2.978 142 F HA 0.559 5.086 4.527 0.000 0.000 0.324 142 F C -1.977 173.551 175.800 -0.453 0.000 1.157 142 F CA -1.624 55.975 58.000 -0.669 0.000 0.879 142 F CB 0.628 38.854 39.000 -1.291 0.000 1.364 142 F HN -0.248 nan 8.300 nan 0.000 0.465 143 D N 1.574 121.958 120.400 -0.027 0.000 2.278 143 D HA 0.287 4.928 4.640 0.001 0.000 0.245 143 D C -0.573 175.818 176.300 0.152 0.000 1.052 143 D CA -0.521 53.448 54.000 -0.051 0.000 0.834 143 D CB 2.109 42.880 40.800 -0.049 0.000 1.194 143 D HN 0.430 nan 8.370 nan 0.000 0.481 144 R N 1.699 122.242 120.500 0.071 0.000 2.537 144 R HA -0.061 4.280 4.340 0.001 0.000 0.281 144 R C 0.721 177.127 176.300 0.176 0.000 0.988 144 R CA 0.175 56.379 56.100 0.174 0.000 1.077 144 R CB 0.288 30.642 30.300 0.090 0.000 0.932 144 R HN 0.498 nan 8.270 nan 0.000 0.409 145 H N 1.344 120.485 119.070 0.118 0.000 2.671 145 H HA -0.031 4.526 4.556 0.000 0.000 0.372 145 H C 0.947 176.302 175.328 0.046 0.000 1.227 145 H CA 0.812 56.898 56.048 0.064 0.000 1.426 145 H CB 1.170 30.960 29.762 0.047 0.000 1.480 145 H HN 0.643 nan 8.280 nan 0.000 0.611 146 S N 1.150 116.858 115.700 0.013 0.000 2.489 146 S HA -0.107 4.363 4.470 0.001 0.000 0.228 146 S C 1.779 176.522 174.600 0.238 0.000 0.995 146 S CA 0.655 58.912 58.200 0.095 0.000 0.934 146 S CB -0.291 62.863 63.200 -0.076 0.000 0.771 146 S HN 0.595 nan 8.310 nan 0.000 0.522 147 S N 1.471 117.464 115.700 0.488 0.000 2.474 147 S HA 0.122 4.593 4.470 0.001 0.000 0.235 147 S C 1.077 175.735 174.600 0.097 0.000 0.997 147 S CA 0.470 58.780 58.200 0.183 0.000 0.949 147 S CB -0.509 62.696 63.200 0.008 0.000 0.766 147 S HN 0.431 nan 8.310 nan 0.000 0.517 148 L N 1.410 122.710 121.223 0.129 0.000 2.791 148 L HA 0.466 4.807 4.340 0.001 0.000 0.239 148 L C 0.764 177.681 176.870 0.077 0.000 1.203 148 L CA -0.093 54.797 54.840 0.084 0.000 1.002 148 L CB -0.547 41.571 42.059 0.097 0.000 1.295 148 L HN 0.256 nan 8.230 nan 0.000 0.504 149 A N -0.439 122.424 122.820 0.072 0.000 2.409 149 A HA 0.527 4.847 4.320 0.001 0.000 0.267 149 A C 1.442 179.050 177.584 0.040 0.000 1.127 149 A CA 0.354 52.422 52.037 0.052 0.000 0.795 149 A CB -0.171 18.855 19.000 0.042 0.000 1.061 149 A HN 0.600 nan 8.150 nan 0.000 0.502 150 G N 0.946 109.769 108.800 0.039 0.000 2.160 150 G HA2 -0.238 3.723 3.960 0.001 0.000 0.251 150 G HA3 -0.238 3.723 3.960 0.001 0.000 0.251 150 G C 0.318 175.240 174.900 0.037 0.000 1.008 150 G CA 0.267 45.388 45.100 0.035 0.000 0.724 150 G HN 0.984 nan 8.290 nan 0.000 0.514 151 C N 0.213 119.540 119.300 0.045 0.000 2.405 151 C HA 0.639 5.100 4.460 0.001 0.000 0.365 151 C C 0.855 175.882 174.990 0.063 0.000 1.233 151 C CA -0.540 58.505 59.018 0.045 0.000 2.230 151 C CB 1.465 29.232 27.740 0.045 0.000 2.443 151 C HN 0.687 nan 8.230 nan 0.000 0.556 152 Q N 3.217 123.055 119.800 0.064 0.000 2.323 152 Q HA 0.292 4.633 4.340 0.001 0.000 0.257 152 Q C -0.542 175.526 176.000 0.113 0.000 1.022 152 Q CA 0.138 55.996 55.803 0.093 0.000 0.919 152 Q CB 0.044 28.821 28.738 0.064 0.000 1.220 152 Q HN 0.505 nan 8.270 nan 0.000 0.427 153 I N 7.226 127.887 120.570 0.151 0.000 2.517 153 I HA -0.034 4.136 4.170 0.001 0.000 0.285 153 I C 1.178 177.425 176.117 0.217 0.000 1.106 153 I CA 0.216 61.576 61.300 0.101 0.000 1.402 153 I CB 0.018 38.043 38.000 0.041 0.000 1.399 153 I HN 0.883 nan 8.210 nan 0.000 0.535 154 I N 2.524 123.181 120.570 0.144 0.000 4.035 154 I HA 0.340 4.510 4.170 0.001 0.000 0.321 154 I C 0.278 176.623 176.117 0.380 0.000 1.289 154 I CA 0.265 61.782 61.300 0.361 0.000 1.236 154 I CB 0.636 38.774 38.000 0.231 0.000 1.076 154 I HN 0.511 nan 8.210 nan 0.000 0.418 155 N N 0.079 118.762 118.700 -0.028 0.000 2.961 155 N HA 0.387 5.127 4.740 0.001 0.000 0.245 155 N C -2.205 173.280 175.510 -0.041 0.000 1.404 155 N CA -0.453 52.635 53.050 0.063 0.000 0.880 155 N CB 1.898 40.554 38.487 0.281 0.000 1.461 155 N HN 0.151 nan 8.380 nan 0.000 0.510 156 Y N 1.019 121.359 120.300 0.066 0.000 2.362 156 Y HA 0.574 5.125 4.550 0.000 0.000 0.326 156 Y C -1.153 174.919 175.900 0.287 0.000 1.083 156 Y CA -0.470 57.725 58.100 0.159 0.000 1.073 156 Y CB 1.000 39.565 38.460 0.176 0.000 1.211 156 Y HN 0.523 nan 8.280 nan 0.000 0.433 157 R N 3.260 123.627 120.500 -0.221 0.000 2.867 157 R HA 0.820 5.161 4.340 0.001 0.000 0.268 157 R C -1.201 175.011 176.300 -0.147 0.000 1.014 157 R CA -1.255 54.822 56.100 -0.038 0.000 0.946 157 R CB 2.382 32.839 30.300 0.260 0.000 1.208 157 R HN 0.622 nan 8.270 nan 0.000 0.477 158 T N 0.459 115.024 114.554 0.018 0.000 2.883 158 T HA 0.206 4.556 4.350 0.001 0.000 0.296 158 T C -1.203 173.309 174.700 -0.314 0.000 1.117 158 T CA -0.826 61.185 62.100 -0.148 0.000 1.006 158 T CB 1.770 70.614 68.868 -0.039 0.000 1.191 158 T HN 0.702 nan 8.240 nan 0.000 0.508 159 D N 0.390 120.434 120.400 -0.594 0.000 2.432 159 D HA 0.433 5.074 4.640 0.001 0.000 0.258 159 D C 1.410 177.658 176.300 -0.088 0.000 1.146 159 D CA -0.458 53.256 54.000 -0.477 0.000 1.015 159 D CB 1.128 41.616 40.800 -0.521 0.000 1.107 159 D HN 0.518 nan 8.370 nan 0.000 0.529 160 A N 0.796 123.623 122.820 0.013 0.000 1.948 160 A HA -0.235 4.086 4.320 0.001 0.000 0.220 160 A C 1.869 179.479 177.584 0.042 0.000 1.177 160 A CA 1.663 53.728 52.037 0.048 0.000 0.636 160 A CB -0.604 18.434 19.000 0.064 0.000 0.815 160 A HN 0.615 nan 8.150 nan 0.000 0.449 161 K N -0.323 120.099 120.400 0.038 0.000 2.458 161 K HA 0.125 4.445 4.320 0.001 0.000 0.194 161 K C -0.046 176.578 176.600 0.041 0.000 1.024 161 K CA 0.221 56.535 56.287 0.045 0.000 1.108 161 K CB 0.054 32.586 32.500 0.054 0.000 0.846 161 K HN 0.575 nan 8.250 nan 0.000 0.518 162 Q N -0.117 119.703 119.800 0.032 0.000 2.435 162 Q HA -0.277 4.064 4.340 0.001 0.000 0.286 162 Q C 0.491 176.510 176.000 0.032 0.000 1.229 162 Q CA 0.482 56.324 55.803 0.065 0.000 0.884 162 Q CB -0.734 28.092 28.738 0.147 0.000 1.245 162 Q HN 0.089 nan 8.270 nan 0.000 0.488 163 K N -1.117 119.263 120.400 -0.032 0.000 2.354 163 K HA 0.106 4.426 4.320 0.001 0.000 0.194 163 K C -0.328 176.016 176.600 -0.426 0.000 1.045 163 K CA 0.724 56.898 56.287 -0.189 0.000 1.026 163 K CB 0.496 32.891 32.500 -0.176 0.000 0.866 163 K HN 0.252 nan 8.250 nan 0.000 0.530 164 W N 1.239 122.391 121.300 -0.247 0.000 2.739 164 W HA 0.479 5.139 4.660 0.000 0.000 0.331 164 W C -0.708 175.615 176.519 -0.327 0.000 1.049 164 W CA -0.583 56.571 57.345 -0.318 0.000 1.234 164 W CB 0.999 30.199 29.460 -0.433 0.000 1.404 164 W HN -0.296 nan 8.180 nan 0.000 0.477 165 L N 4.307 125.582 121.223 0.087 0.000 2.381 165 L HA 0.748 5.088 4.340 0.001 0.000 0.268 165 L C -1.018 175.953 176.870 0.169 0.000 0.997 165 L CA -1.339 53.583 54.840 0.137 0.000 0.818 165 L CB 1.586 43.938 42.059 0.487 0.000 1.310 165 L HN 0.224 nan 8.230 nan 0.000 0.416 166 L N 3.249 124.547 121.223 0.125 0.000 2.385 166 L HA 0.686 5.026 4.340 0.001 0.000 0.273 166 L C -1.374 175.651 176.870 0.257 0.000 0.990 166 L CA -0.388 54.565 54.840 0.189 0.000 0.821 166 L CB 1.921 44.143 42.059 0.271 0.000 1.279 166 L HN 0.551 nan 8.230 nan 0.000 0.412 167 L N 4.050 125.469 121.223 0.325 0.000 2.346 167 L HA 0.843 5.184 4.340 0.001 0.000 0.276 167 L C -0.783 176.194 176.870 0.177 0.000 1.006 167 L CA 0.335 55.394 54.840 0.365 0.000 0.817 167 L CB 2.246 44.571 42.059 0.443 0.000 1.272 167 L HN 0.741 nan 8.230 nan 0.000 0.421 168 T N 3.097 117.720 114.554 0.114 0.000 2.893 168 T HA 0.864 5.215 4.350 0.001 0.000 0.293 168 T C -0.389 174.344 174.700 0.055 0.000 1.027 168 T CA -0.503 61.648 62.100 0.083 0.000 0.988 168 T CB 1.715 70.651 68.868 0.114 0.000 1.043 168 T HN 0.879 nan 8.240 nan 0.000 0.461 169 G N 1.175 110.010 108.800 0.058 0.000 2.672 169 G HA2 0.777 4.737 3.960 0.001 0.000 0.292 169 G HA3 0.777 4.737 3.960 0.001 0.000 0.292 169 G C -1.476 173.455 174.900 0.052 0.000 1.375 169 G CA -0.915 44.220 45.100 0.058 0.000 0.890 169 G HN 0.881 nan 8.290 nan 0.000 0.476 170 I N -1.452 119.148 120.570 0.050 0.000 2.828 170 I HA 0.859 5.030 4.170 0.001 0.000 0.302 170 I C -0.144 175.974 176.117 0.002 0.000 1.101 170 I CA -1.053 60.262 61.300 0.026 0.000 1.031 170 I CB 2.485 40.516 38.000 0.052 0.000 1.231 170 I HN 0.482 nan 8.210 nan 0.000 0.427 171 S N 2.055 117.738 115.700 -0.029 0.000 2.569 171 S HA 0.843 5.314 4.470 0.001 0.000 0.280 171 S C -0.341 174.227 174.600 -0.053 0.000 1.111 171 S CA -0.658 57.526 58.200 -0.028 0.000 0.887 171 S CB 1.789 64.975 63.200 -0.023 0.000 1.095 171 S HN 1.042 nan 8.310 nan 0.000 0.476 172 A N 2.081 124.878 122.820 -0.038 0.000 3.215 172 A HA 0.342 4.662 4.320 0.001 0.000 0.269 172 A C 0.311 177.872 177.584 -0.038 0.000 1.517 172 A CA -0.673 51.337 52.037 -0.045 0.000 1.221 172 A CB -0.426 18.560 19.000 -0.023 0.000 1.160 172 A HN 0.634 nan 8.150 nan 0.000 0.620 173 Q N 1.347 121.118 119.800 -0.048 0.000 2.307 173 Q HA 0.156 4.497 4.340 0.001 0.000 0.259 173 Q C -0.474 175.505 176.000 -0.036 0.000 0.998 173 Q CA -0.189 55.592 55.803 -0.037 0.000 0.923 173 Q CB 0.425 29.139 28.738 -0.040 0.000 1.196 173 Q HN 0.669 nan 8.270 nan 0.000 0.416 174 Q N 2.376 122.161 119.800 -0.025 0.000 2.439 174 Q HA -0.286 4.054 4.340 0.001 0.000 0.325 174 Q C -0.532 175.452 176.000 -0.026 0.000 1.372 174 Q CA 0.445 56.235 55.803 -0.022 0.000 0.909 174 Q CB -1.371 27.356 28.738 -0.019 0.000 1.167 174 Q HN 0.879 nan 8.270 nan 0.000 0.418 175 N N -1.559 117.125 118.700 -0.026 0.000 2.967 175 N HA -0.131 4.610 4.740 0.001 0.000 0.241 175 N C -0.761 174.724 175.510 -0.041 0.000 0.983 175 N CA 1.394 54.430 53.050 -0.024 0.000 0.918 175 N CB -0.321 38.157 38.487 -0.015 0.000 1.109 175 N HN 0.433 nan 8.380 nan 0.000 0.567 176 R N -0.204 120.257 120.500 -0.066 0.000 2.795 176 R HA 0.550 4.891 4.340 0.001 0.000 0.275 176 R C -0.288 175.918 176.300 -0.158 0.000 0.981 176 R CA -0.760 55.273 56.100 -0.111 0.000 0.917 176 R CB 1.121 31.356 30.300 -0.108 0.000 1.202 176 R HN -0.102 nan 8.270 nan 0.000 0.469 177 V N 2.755 122.494 119.914 -0.292 0.000 2.356 177 V HA 0.138 4.259 4.120 0.001 0.000 0.258 177 V C 0.136 176.056 176.094 -0.291 0.000 1.065 177 V CA -0.416 61.660 62.300 -0.374 0.000 0.935 177 V CB 0.971 32.330 31.823 -0.773 0.000 1.061 177 V HN 0.364 nan 8.190 nan 0.000 0.484 178 V N 4.571 124.387 119.914 -0.164 0.000 2.481 178 V HA 0.672 4.793 4.120 0.001 0.000 0.286 178 V C 0.859 176.863 176.094 -0.150 0.000 1.042 178 V CA -0.287 61.919 62.300 -0.157 0.000 0.928 178 V CB 1.615 33.366 31.823 -0.120 0.000 0.986 178 V HN 0.833 nan 8.190 nan 0.000 0.462 179 G N 2.646 111.272 108.800 -0.290 0.000 2.371 179 G HA2 0.683 4.644 3.960 0.001 0.000 0.326 179 G HA3 0.683 4.644 3.960 0.001 0.000 0.326 179 G C -0.646 174.171 174.900 -0.139 0.000 1.127 179 G CA -0.377 44.621 45.100 -0.170 0.000 0.885 179 G HN 1.118 nan 8.290 nan 0.000 0.477 180 A N 2.659 125.444 122.820 -0.058 0.000 2.335 180 A HA 0.756 5.077 4.320 0.001 0.000 0.304 180 A C -0.105 177.459 177.584 -0.032 0.000 1.118 180 A CA -0.582 51.422 52.037 -0.056 0.000 0.757 180 A CB 0.873 19.853 19.000 -0.033 0.000 1.188 180 A HN 0.649 nan 8.150 nan 0.000 0.460 181 M N 1.659 121.218 119.600 -0.067 0.000 2.508 181 M HA 0.484 4.965 4.480 0.001 0.000 0.327 181 M C -0.343 175.907 176.300 -0.082 0.000 1.160 181 M CA -0.391 54.885 55.300 -0.041 0.000 0.980 181 M CB 2.168 34.739 32.600 -0.049 0.000 1.693 181 M HN 0.773 nan 8.290 nan 0.000 0.452 182 Q N 3.092 122.878 119.800 -0.022 0.000 2.363 182 Q HA 0.431 4.771 4.340 0.001 0.000 0.265 182 Q C -1.998 173.970 176.000 -0.053 0.000 1.032 182 Q CA -0.727 55.043 55.803 -0.055 0.000 0.746 182 Q CB 1.607 30.372 28.738 0.046 0.000 1.237 182 Q HN 0.697 nan 8.270 nan 0.000 0.475 183 L N 5.640 126.791 121.223 -0.120 0.000 2.270 183 L HA 0.342 4.682 4.340 0.001 0.000 0.286 183 L C -1.739 175.083 176.870 -0.079 0.000 1.059 183 L CA -0.322 54.441 54.840 -0.129 0.000 0.839 183 L CB 0.341 42.226 42.059 -0.290 0.000 1.221 183 L HN 0.587 nan 8.230 nan 0.000 0.431 184 Y N 3.778 123.902 120.300 -0.293 0.000 2.326 184 Y HA 0.471 5.022 4.550 0.001 0.000 0.337 184 Y C 0.226 175.938 175.900 -0.313 0.000 1.023 184 Y CA -0.152 57.697 58.100 -0.419 0.000 1.143 184 Y CB 1.273 39.144 38.460 -0.981 0.000 1.183 184 Y HN 0.678 nan 8.280 nan 0.000 0.485 185 S N 5.140 120.167 115.700 -1.121 0.000 2.452 185 S HA 0.304 4.775 4.470 0.001 0.000 0.284 185 S C 0.563 174.280 174.600 -1.471 0.000 1.171 185 S CA -0.635 56.801 58.200 -1.274 0.000 1.064 185 S CB 0.691 63.216 63.200 -1.125 0.000 0.967 185 S HN 0.736 nan 8.310 nan 0.000 0.484 186 V N 4.866 124.187 119.914 -0.989 0.000 2.239 186 V HA -0.066 4.054 4.120 0.001 0.000 0.242 186 V C 2.022 177.867 176.094 -0.415 0.000 1.038 186 V CA 1.828 63.828 62.300 -0.500 0.000 1.002 186 V CB -0.618 31.059 31.823 -0.244 0.000 0.641 186 V HN 0.795 nan 8.190 nan 0.000 0.449 187 D N 0.244 120.382 120.400 -0.437 0.000 2.092 187 D HA -0.177 4.463 4.640 0.001 0.000 0.193 187 D C 2.071 178.194 176.300 -0.295 0.000 0.994 187 D CA 1.492 55.309 54.000 -0.305 0.000 0.828 187 D CB -0.302 40.325 40.800 -0.287 0.000 0.963 187 D HN 0.486 nan 8.370 nan 0.000 0.450 188 R N 1.071 121.329 120.500 -0.403 0.000 2.555 188 R HA 0.067 4.407 4.340 0.001 0.000 0.272 188 R C -0.006 176.117 176.300 -0.295 0.000 1.089 188 R CA -0.149 55.776 56.100 -0.292 0.000 1.126 188 R CB -0.200 29.947 30.300 -0.255 0.000 1.250 188 R HN -0.103 nan 8.270 nan 0.000 0.551 189 K N 0.263 120.471 120.400 -0.320 0.000 2.905 189 K HA -0.192 4.128 4.320 0.001 0.000 0.238 189 K C -0.175 176.339 176.600 -0.143 0.000 0.866 189 K CA 0.904 57.064 56.287 -0.212 0.000 0.637 189 K CB -1.422 31.064 32.500 -0.024 0.000 1.309 189 K HN 0.217 nan 8.250 nan 0.000 0.488 190 V N 0.064 119.794 119.914 -0.306 0.000 3.093 190 V HA 0.489 4.609 4.120 0.001 0.000 0.320 190 V C 0.240 176.237 176.094 -0.162 0.000 1.093 190 V CA -0.614 61.599 62.300 -0.146 0.000 1.016 190 V CB 1.968 33.713 31.823 -0.129 0.000 1.096 190 V HN 0.355 nan 8.190 nan 0.000 0.452 191 S N 2.275 117.984 115.700 0.015 0.000 2.566 191 S HA 0.596 5.066 4.470 0.001 0.000 0.273 191 S C -1.286 173.348 174.600 0.058 0.000 1.157 191 S CA -0.758 57.479 58.200 0.061 0.000 0.938 191 S CB 1.773 65.102 63.200 0.215 0.000 1.087 191 S HN 0.880 nan 8.310 nan 0.000 0.474 192 Q N 2.645 122.438 119.800 -0.012 0.000 2.394 192 Q HA 0.740 5.080 4.340 0.001 0.000 0.273 192 Q C -3.131 172.771 176.000 -0.164 0.000 1.089 192 Q CA -2.471 53.301 55.803 -0.050 0.000 0.812 192 Q CB 2.184 30.898 28.738 -0.040 0.000 1.353 192 Q HN 0.416 nan 8.270 nan 0.000 0.438 193 P HA 0.438 nan 4.420 nan 0.000 0.292 193 P C -0.850 176.323 177.300 -0.213 0.000 1.287 193 P CA -0.260 62.634 63.100 -0.342 0.000 0.800 193 P CB 0.878 32.260 31.700 -0.531 0.000 0.945 194 I N 0.809 121.250 120.570 -0.215 0.000 2.647 194 I HA 0.357 4.527 4.170 0.001 0.000 0.295 194 I C 0.211 176.214 176.117 -0.190 0.000 1.078 194 I CA -1.003 60.160 61.300 -0.228 0.000 1.048 194 I CB 2.731 40.492 38.000 -0.397 0.000 1.239 194 I HN 0.266 nan 8.210 nan 0.000 0.421 195 E N 3.512 123.639 120.200 -0.121 0.000 2.152 195 E HA 0.573 4.923 4.350 0.001 0.000 0.285 195 E C -0.566 176.014 176.600 -0.033 0.000 1.043 195 E CA -0.222 56.125 56.400 -0.088 0.000 0.839 195 E CB 1.336 31.003 29.700 -0.055 0.000 1.069 195 E HN 0.883 nan 8.360 nan 0.000 0.399 196 G N 3.041 111.796 108.800 -0.075 0.000 2.720 196 G HA2 0.187 4.148 3.960 0.001 0.000 0.295 196 G HA3 0.187 4.148 3.960 0.001 0.000 0.295 196 G C -0.460 174.454 174.900 0.024 0.000 1.437 196 G CA -0.428 44.719 45.100 0.079 0.000 0.886 196 G HN 0.573 nan 8.290 nan 0.000 0.509 197 H N 0.061 119.240 119.070 0.182 0.000 2.481 197 H HA 0.551 5.107 4.556 0.000 0.000 0.291 197 H C 1.073 176.503 175.328 0.170 0.000 1.009 197 H CA 1.249 57.400 56.048 0.171 0.000 1.282 197 H CB 1.396 31.282 29.762 0.207 0.000 1.457 197 H HN 0.750 nan 8.280 nan 0.000 0.525 198 A N 0.133 123.126 122.820 0.288 0.000 2.549 198 A HA 0.750 5.070 4.320 0.001 0.000 0.297 198 A C -1.173 176.492 177.584 0.135 0.000 1.061 198 A CA 0.154 52.307 52.037 0.193 0.000 0.690 198 A CB 1.692 20.786 19.000 0.157 0.000 1.287 198 A HN 0.355 nan 8.150 nan 0.000 0.402 199 A N 0.033 122.906 122.820 0.089 0.000 2.557 199 A HA 1.008 5.328 4.320 0.001 0.000 0.292 199 A C -0.444 177.116 177.584 -0.040 0.000 1.139 199 A CA 0.110 52.132 52.037 -0.026 0.000 0.665 199 A CB 0.887 19.864 19.000 -0.039 0.000 1.285 199 A HN 2.529 nan 8.150 nan 0.000 0.433 200 S N -1.283 114.310 115.700 -0.178 0.000 2.597 200 S HA 0.703 5.173 4.470 0.001 0.000 0.274 200 S C -1.780 172.658 174.600 -0.270 0.000 1.132 200 S CA -0.537 57.601 58.200 -0.103 0.000 0.835 200 S CB 0.386 63.599 63.200 0.021 0.000 1.092 200 S HN 0.936 nan 8.310 nan 0.000 0.457 201 F N 1.541 121.576 119.950 0.142 0.000 2.457 201 F HA 0.910 5.437 4.527 0.001 0.000 0.330 201 F C 0.762 176.600 175.800 0.064 0.000 1.069 201 F CA 0.129 58.202 58.000 0.122 0.000 1.009 201 F CB 2.026 41.100 39.000 0.123 0.000 1.276 201 F HN 0.883 nan 8.300 nan 0.000 0.492 202 A N 0.908 123.865 122.820 0.228 0.000 2.589 202 A HA 0.594 4.915 4.320 0.001 0.000 0.296 202 A C -1.665 176.001 177.584 0.136 0.000 1.062 202 A CA -0.850 51.274 52.037 0.145 0.000 0.686 202 A CB 1.637 20.675 19.000 0.064 0.000 1.282 202 A HN 0.497 nan 8.150 nan 0.000 0.404 203 Q N 0.542 120.426 119.800 0.141 0.000 2.256 203 Q HA 0.619 4.960 4.340 0.001 0.000 0.254 203 Q C -1.728 174.392 176.000 0.200 0.000 0.916 203 Q CA 0.031 55.913 55.803 0.131 0.000 0.932 203 Q CB 1.692 30.488 28.738 0.097 0.000 1.207 203 Q HN 0.656 nan 8.270 nan 0.000 0.426 204 F N 2.133 122.082 119.950 -0.003 0.000 2.653 204 F HA 0.259 4.786 4.527 0.001 0.000 0.327 204 F C -0.849 174.975 175.800 0.040 0.000 1.195 204 F CA -1.008 56.998 58.000 0.010 0.000 0.993 204 F CB 1.211 40.191 39.000 -0.032 0.000 1.259 204 F HN 0.312 nan 8.300 nan 0.000 0.478 205 K N 8.252 128.348 120.400 -0.507 0.000 2.250 205 K HA 0.417 4.737 4.320 0.001 0.000 0.285 205 K C -0.285 175.951 176.600 -0.606 0.000 1.097 205 K CA -0.401 55.656 56.287 -0.384 0.000 0.913 205 K CB 0.442 32.812 32.500 -0.217 0.000 1.179 205 K HN 0.739 nan 8.250 nan 0.000 0.462 206 M N 1.764 121.158 119.600 -0.344 0.000 2.245 206 M HA -0.004 4.476 4.480 0.001 0.000 0.312 206 M C 0.433 176.672 176.300 -0.102 0.000 1.070 206 M CA 0.366 55.577 55.300 -0.149 0.000 1.162 206 M CB 0.193 32.889 32.600 0.160 0.000 1.448 206 M HN 0.610 nan 8.290 nan 0.000 0.446 207 E N 0.539 120.731 120.200 -0.014 0.000 2.415 207 E HA 0.150 4.501 4.350 0.001 0.000 0.260 207 E C 0.843 177.450 176.600 0.011 0.000 1.016 207 E CA 0.843 57.246 56.400 0.004 0.000 0.924 207 E CB 0.137 29.865 29.700 0.046 0.000 0.961 207 E HN 0.866 nan 8.360 nan 0.000 0.459 208 G N 3.812 112.612 108.800 0.000 0.000 2.157 208 G HA2 -0.271 3.689 3.960 0.001 0.000 0.248 208 G HA3 -0.271 3.689 3.960 0.001 0.000 0.248 208 G C -0.104 174.800 174.900 0.007 0.000 0.979 208 G CA 0.131 45.236 45.100 0.008 0.000 0.650 208 G HN 0.639 nan 8.290 nan 0.000 0.529 209 N N -0.580 118.119 118.700 -0.002 0.000 2.432 209 N HA 0.625 5.365 4.740 0.001 0.000 0.292 209 N C 0.802 176.307 175.510 -0.009 0.000 1.193 209 N CA -0.199 52.854 53.050 0.005 0.000 0.878 209 N CB 1.641 40.139 38.487 0.019 0.000 1.252 209 N HN 0.295 nan 8.380 nan 0.000 0.520 210 A N 0.275 123.095 122.820 0.000 0.000 2.390 210 A HA 0.146 4.467 4.320 0.001 0.000 0.232 210 A C -0.035 177.546 177.584 -0.004 0.000 1.233 210 A CA 0.376 52.410 52.037 -0.005 0.000 0.907 210 A CB 0.291 19.293 19.000 0.002 0.000 0.967 210 A HN 0.530 nan 8.150 nan 0.000 0.512 211 E N 0.460 120.661 120.200 0.001 0.000 2.312 211 E HA 0.384 4.734 4.350 0.001 0.000 0.267 211 E C -1.119 175.482 176.600 0.002 0.000 0.894 211 E CA -0.521 55.884 56.400 0.008 0.000 0.773 211 E CB 1.262 30.976 29.700 0.024 0.000 1.241 211 E HN 0.433 nan 8.360 nan 0.000 0.432 212 E N 0.699 120.902 120.200 0.006 0.000 2.354 212 E HA 0.273 4.623 4.350 0.001 0.000 0.269 212 E C -0.337 176.291 176.600 0.047 0.000 1.036 212 E CA -0.167 56.237 56.400 0.007 0.000 0.876 212 E CB 0.908 30.619 29.700 0.018 0.000 1.009 212 E HN 0.267 nan 8.360 nan 0.000 0.416 213 S N 0.996 116.741 115.700 0.075 0.000 2.669 213 S HA 0.307 4.777 4.470 0.001 0.000 0.270 213 S C -0.068 174.572 174.600 0.066 0.000 1.225 213 S CA -0.730 57.523 58.200 0.088 0.000 0.991 213 S CB 1.346 64.628 63.200 0.137 0.000 0.987 213 S HN 0.398 nan 8.310 nan 0.000 0.552 214 T N 2.121 116.692 114.554 0.029 0.000 2.791 214 T HA 0.508 4.859 4.350 0.001 0.000 0.288 214 T C -0.506 174.176 174.700 -0.029 0.000 0.999 214 T CA -0.414 61.702 62.100 0.026 0.000 0.952 214 T CB 0.006 68.881 68.868 0.012 0.000 0.938 214 T HN 0.319 nan 8.240 nan 0.000 0.444 215 L N 3.084 124.300 121.223 -0.011 0.000 2.332 215 L HA 0.748 5.088 4.340 0.001 0.000 0.269 215 L C -0.759 176.170 176.870 0.099 0.000 1.016 215 L CA -1.203 53.578 54.840 -0.098 0.000 0.809 215 L CB 1.354 43.217 42.059 -0.327 0.000 1.280 215 L HN 0.559 nan 8.230 nan 0.000 0.447 216 F N 1.880 121.734 119.950 -0.161 0.000 2.539 216 F HA 0.495 5.022 4.527 0.000 0.000 0.328 216 F C -0.815 174.875 175.800 -0.184 0.000 1.148 216 F CA -1.027 56.803 58.000 -0.284 0.000 0.940 216 F CB 1.186 40.049 39.000 -0.228 0.000 1.194 216 F HN 0.451 nan 8.300 nan 0.000 0.438 217 C N 8.531 127.436 119.300 -0.659 0.000 2.382 217 C HA 0.915 5.375 4.460 0.001 0.000 0.327 217 C C -0.978 173.630 174.990 -0.637 0.000 1.250 217 C CA -0.509 58.163 59.018 -0.576 0.000 1.707 217 C CB -0.215 27.314 27.740 -0.351 0.000 2.272 217 C HN 0.840 nan 8.230 nan 0.000 0.506 218 F N 3.674 123.225 119.950 -0.664 0.000 2.654 218 F HA 0.860 5.388 4.527 0.000 0.000 0.308 218 F C -0.695 174.948 175.800 -0.261 0.000 1.108 218 F CA -0.566 57.144 58.000 -0.484 0.000 0.957 218 F CB 0.921 39.552 39.000 -0.616 0.000 1.309 218 F HN 0.827 nan 8.300 nan 0.000 0.446 219 A N 1.939 124.702 122.820 -0.094 0.000 2.454 219 A HA 0.932 5.253 4.320 0.001 0.000 0.302 219 A C -1.827 175.849 177.584 0.152 0.000 1.079 219 A CA -0.716 51.236 52.037 -0.141 0.000 0.731 219 A CB 1.885 20.792 19.000 -0.156 0.000 1.299 219 A HN 1.917 nan 8.150 nan 0.000 0.413 220 V N 0.955 120.955 119.914 0.143 0.000 3.204 220 V HA 0.701 4.821 4.120 0.001 0.000 0.298 220 V C -1.388 174.875 176.094 0.281 0.000 1.328 220 V CA -0.711 61.766 62.300 0.296 0.000 1.035 220 V CB 2.228 34.161 31.823 0.185 0.000 1.095 220 V HN 1.026 nan 8.190 nan 0.000 0.442 221 R N 2.680 123.422 120.500 0.403 0.000 2.371 221 R HA 0.687 5.027 4.340 0.001 0.000 0.312 221 R C -0.092 176.251 176.300 0.071 0.000 0.980 221 R CA 0.299 56.483 56.100 0.139 0.000 0.867 221 R CB 1.283 31.523 30.300 -0.100 0.000 1.163 221 R HN 1.041 nan 8.270 nan 0.000 0.492 222 G N 0.525 109.342 108.800 0.028 0.000 2.938 222 G HA2 -0.002 3.958 3.960 0.001 0.000 0.258 222 G HA3 -0.002 3.958 3.960 0.001 0.000 0.258 222 G C 0.072 174.963 174.900 -0.015 0.000 1.356 222 G CA -0.241 44.857 45.100 -0.004 0.000 1.052 222 G HN 0.509 nan 8.290 nan 0.000 0.550 223 Q N -0.674 119.117 119.800 -0.015 0.000 2.135 223 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 223 Q C 2.251 178.249 176.000 -0.004 0.000 0.981 223 Q CA 1.841 57.635 55.803 -0.015 0.000 0.856 223 Q CB -0.484 28.247 28.738 -0.011 0.000 0.902 223 Q HN 0.492 nan 8.270 nan 0.000 0.425 224 A N 0.036 122.861 122.820 0.010 0.000 2.291 224 A HA 0.421 4.742 4.320 0.001 0.000 0.220 224 A C 0.798 178.399 177.584 0.027 0.000 1.262 224 A CA 0.942 52.991 52.037 0.020 0.000 0.867 224 A CB -0.680 18.337 19.000 0.028 0.000 0.888 224 A HN 0.540 nan 8.150 nan 0.000 0.487 225 G N -1.819 106.992 108.800 0.017 0.000 2.685 225 G HA2 0.304 4.264 3.960 0.001 0.000 0.387 225 G HA3 0.304 4.264 3.960 0.001 0.000 0.387 225 G C 0.249 175.186 174.900 0.061 0.000 1.324 225 G CA -0.413 44.708 45.100 0.034 0.000 0.878 225 G HN 1.377 nan 8.290 nan 0.000 0.527 226 G N -0.226 108.661 108.800 0.144 0.000 2.395 226 G HA2 0.624 4.584 3.960 0.001 0.000 0.283 226 G HA3 0.624 4.584 3.960 0.001 0.000 0.283 226 G C -0.333 174.603 174.900 0.060 0.000 1.178 226 G CA -0.029 45.195 45.100 0.207 0.000 0.837 226 G HN 0.597 nan 8.290 nan 0.000 0.518 227 K N 0.268 120.630 120.400 -0.063 0.000 2.536 227 K HA 0.484 4.804 4.320 0.001 0.000 0.269 227 K C -1.657 174.627 176.600 -0.527 0.000 0.965 227 K CA -0.865 55.251 56.287 -0.286 0.000 0.860 227 K CB 2.726 35.057 32.500 -0.282 0.000 1.423 227 K HN 0.399 nan 8.250 nan 0.000 0.438 228 L N 1.420 122.187 121.223 -0.759 0.000 2.385 228 L HA 0.485 4.825 4.340 0.001 0.000 0.273 228 L C -1.285 174.939 176.870 -1.076 0.000 0.990 228 L CA -0.259 54.067 54.840 -0.856 0.000 0.821 228 L CB 1.361 42.925 42.059 -0.827 0.000 1.279 228 L HN 0.516 nan 8.230 nan 0.000 0.412 229 H N 6.030 124.625 119.070 -0.792 0.000 2.529 229 H HA 0.539 5.096 4.556 0.000 0.000 0.348 229 H C -1.053 173.958 175.328 -0.529 0.000 1.079 229 H CA -0.440 55.214 56.048 -0.658 0.000 1.198 229 H CB 2.206 31.424 29.762 -0.906 0.000 1.521 229 H HN 0.542 nan 8.280 nan 0.000 0.514 230 I N 5.499 125.959 120.570 -0.183 0.000 2.411 230 I HA 0.236 4.406 4.170 0.001 0.000 0.284 230 I C -0.007 176.115 176.117 0.009 0.000 1.012 230 I CA -0.468 60.742 61.300 -0.151 0.000 1.119 230 I CB 1.201 39.132 38.000 -0.116 0.000 1.261 230 I HN 0.371 nan 8.210 nan 0.000 0.448 231 I N 2.533 123.096 120.570 -0.012 0.000 2.730 231 I HA 0.559 4.729 4.170 0.001 0.000 0.298 231 I C -0.617 175.493 176.117 -0.012 0.000 1.089 231 I CA -0.643 60.707 61.300 0.083 0.000 1.041 231 I CB 2.078 40.171 38.000 0.156 0.000 1.235 231 I HN 0.579 nan 8.210 nan 0.000 0.423 232 E N 3.172 123.377 120.200 0.009 0.000 2.383 232 E HA 0.379 4.729 4.350 0.001 0.000 0.264 232 E C -1.533 174.998 176.600 -0.115 0.000 1.050 232 E CA -0.396 55.968 56.400 -0.059 0.000 0.896 232 E CB 1.617 31.355 29.700 0.064 0.000 0.982 232 E HN 0.543 nan 8.360 nan 0.000 0.424 233 V N 4.601 124.358 119.914 -0.261 0.000 2.444 233 V HA 0.623 4.743 4.120 0.001 0.000 0.294 233 V C 0.333 176.128 176.094 -0.498 0.000 1.022 233 V CA 0.818 62.714 62.300 -0.673 0.000 0.850 233 V CB 0.664 31.839 31.823 -1.080 0.000 0.992 233 V HN 1.047 nan 8.190 nan 0.000 0.426 234 G N 5.096 113.835 108.800 -0.102 0.000 2.545 234 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 234 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 234 G C -0.120 174.900 174.900 0.201 0.000 1.314 234 G CA -0.168 45.198 45.100 0.442 0.000 0.906 234 G HN 0.809 nan 8.290 nan 0.000 0.563 235 T N 3.456 118.123 114.554 0.189 0.000 2.749 235 T HA 0.607 4.958 4.350 0.001 0.000 0.287 235 T C -1.982 172.779 174.700 0.102 0.000 0.970 235 T CA -0.345 61.827 62.100 0.119 0.000 0.980 235 T CB 1.319 70.243 68.868 0.092 0.000 0.924 235 T HN 0.569 nan 8.240 nan 0.000 0.456 236 P HA 0.128 nan 4.420 nan 0.000 0.264 236 P C -2.444 174.898 177.300 0.071 0.000 1.179 236 P CA -0.943 62.207 63.100 0.083 0.000 0.763 236 P CB -0.341 31.408 31.700 0.082 0.000 0.806 237 P HA -0.012 nan 4.420 nan 0.000 0.267 237 P C -0.302 177.025 177.300 0.046 0.000 1.201 237 P CA 0.358 63.489 63.100 0.052 0.000 0.775 237 P CB 0.107 31.835 31.700 0.046 0.000 0.854 238 T N 1.711 116.288 114.554 0.038 0.000 2.902 238 T HA 0.353 4.703 4.350 0.001 0.000 0.301 238 T C 1.357 176.075 174.700 0.031 0.000 1.012 238 T CA 1.136 63.255 62.100 0.033 0.000 1.151 238 T CB -0.172 68.712 68.868 0.027 0.000 0.946 238 T HN 0.819 nan 8.240 nan 0.000 0.542 239 G N 3.307 112.125 108.800 0.031 0.000 2.175 239 G HA2 -0.223 3.738 3.960 0.001 0.000 0.244 239 G HA3 -0.223 3.738 3.960 0.001 0.000 0.244 239 G C -0.010 174.909 174.900 0.031 0.000 0.982 239 G CA -0.427 44.689 45.100 0.028 0.000 0.641 239 G HN 0.726 nan 8.290 nan 0.000 0.527 240 N N 0.616 119.340 118.700 0.040 0.000 2.473 240 N HA 0.426 5.166 4.740 0.001 0.000 0.291 240 N C -0.154 175.390 175.510 0.055 0.000 1.083 240 N CA -0.740 52.339 53.050 0.049 0.000 0.951 240 N CB 0.668 39.191 38.487 0.060 0.000 1.164 240 N HN 0.027 nan 8.380 nan 0.000 0.480 241 Q N 2.064 121.899 119.800 0.057 0.000 2.354 241 Q HA 0.299 4.639 4.340 0.001 0.000 0.244 241 Q C -2.100 173.952 176.000 0.086 0.000 0.969 241 Q CA -1.390 54.447 55.803 0.058 0.000 0.885 241 Q CB 0.712 29.479 28.738 0.047 0.000 1.241 241 Q HN 0.434 nan 8.270 nan 0.000 0.461 242 P HA 0.154 nan 4.420 nan 0.000 0.276 242 P C -0.885 176.511 177.300 0.160 0.000 1.252 242 P CA -0.383 62.791 63.100 0.124 0.000 0.802 242 P CB 0.450 32.209 31.700 0.097 0.000 1.035 243 F N 2.824 122.816 119.950 0.069 0.000 2.404 243 F HA 0.367 4.894 4.527 0.000 0.000 0.358 243 F C -2.019 173.810 175.800 0.049 0.000 1.120 243 F CA -2.659 55.390 58.000 0.081 0.000 1.144 243 F CB 0.545 39.612 39.000 0.112 0.000 1.133 243 F HN 0.119 nan 8.300 nan 0.000 0.495 244 P HA -0.017 nan 4.420 nan 0.000 0.260 244 P C -1.150 176.095 177.300 -0.091 0.000 1.207 244 P CA -0.136 62.850 63.100 -0.189 0.000 0.780 244 P CB 0.243 31.786 31.700 -0.261 0.000 0.789 245 K N 2.736 123.211 120.400 0.125 0.000 2.561 245 K HA 0.036 4.357 4.320 0.001 0.000 0.280 245 K C -0.282 176.378 176.600 0.099 0.000 0.975 245 K CA 0.468 56.868 56.287 0.188 0.000 1.024 245 K CB 0.354 32.931 32.500 0.129 0.000 0.883 245 K HN 0.133 nan 8.250 nan 0.000 0.496 246 K N 1.087 121.564 120.400 0.128 0.000 2.340 246 K HA 0.754 5.074 4.320 0.001 0.000 0.244 246 K C -1.603 174.997 176.600 -0.000 0.000 0.973 246 K CA -0.558 55.750 56.287 0.035 0.000 0.828 246 K CB 2.388 34.905 32.500 0.028 0.000 1.226 246 K HN 0.778 nan 8.250 nan 0.000 0.437 247 A N 1.156 123.940 122.820 -0.059 0.000 2.491 247 A HA 0.633 4.953 4.320 0.001 0.000 0.293 247 A C -1.629 175.842 177.584 -0.190 0.000 1.047 247 A CA -0.596 51.348 52.037 -0.154 0.000 0.735 247 A CB 1.072 20.094 19.000 0.037 0.000 1.281 247 A HN 0.334 nan 8.150 nan 0.000 0.398 248 V N 2.079 121.806 119.914 -0.311 0.000 2.962 248 V HA 0.544 4.664 4.120 0.001 0.000 0.313 248 V C -1.152 174.787 176.094 -0.258 0.000 1.099 248 V CA -0.741 61.420 62.300 -0.232 0.000 0.971 248 V CB 2.477 34.148 31.823 -0.254 0.000 1.028 248 V HN 1.022 nan 8.190 nan 0.000 0.430 249 D N 1.686 122.010 120.400 -0.126 0.000 2.193 249 D HA 0.476 5.116 4.640 0.001 0.000 0.249 249 D C -0.252 176.024 176.300 -0.040 0.000 1.034 249 D CA -0.459 53.490 54.000 -0.085 0.000 0.902 249 D CB 1.934 42.739 40.800 0.009 0.000 1.182 249 D HN 0.476 nan 8.370 nan 0.000 0.436 250 V N 0.383 120.272 119.914 -0.043 0.000 2.357 250 V HA 0.491 4.612 4.120 0.001 0.000 0.284 250 V C -0.699 175.360 176.094 -0.059 0.000 1.018 250 V CA -1.069 61.209 62.300 -0.038 0.000 0.841 250 V CB 0.372 32.047 31.823 -0.247 0.000 0.991 250 V HN 0.490 nan 8.190 nan 0.000 0.437 251 F N 7.120 126.992 119.950 -0.130 0.000 2.563 251 F HA 0.619 5.147 4.527 0.001 0.000 0.363 251 F C -0.796 174.738 175.800 -0.444 0.000 1.123 251 F CA -0.283 57.633 58.000 -0.141 0.000 1.307 251 F CB 0.478 39.429 39.000 -0.081 0.000 1.115 251 F HN 0.539 nan 8.300 nan 0.000 0.592 252 F N 6.232 125.522 119.950 -1.100 0.000 2.539 252 F HA 0.408 4.935 4.527 0.001 0.000 0.318 252 F C -2.152 172.853 175.800 -1.324 0.000 1.135 252 F CA -1.936 55.493 58.000 -0.951 0.000 0.915 252 F CB 1.519 40.226 39.000 -0.488 0.000 1.176 252 F HN 0.341 nan 8.300 nan 0.000 0.440 253 P HA 0.256 nan 4.420 nan 0.000 0.276 253 P C -2.501 174.702 177.300 -0.161 0.000 1.252 253 P CA -1.599 61.258 63.100 -0.405 0.000 0.802 253 P CB 1.241 32.925 31.700 -0.027 0.000 1.035 254 P HA -0.198 nan 4.420 nan 0.000 0.216 254 P C 1.191 178.508 177.300 0.029 0.000 1.153 254 P CA 1.777 64.880 63.100 0.005 0.000 0.858 254 P CB -0.112 31.613 31.700 0.041 0.000 0.789 255 E N 0.003 120.237 120.200 0.056 0.000 2.153 255 E HA -0.065 4.286 4.350 0.001 0.000 0.194 255 E C 1.324 178.002 176.600 0.129 0.000 0.988 255 E CA 1.031 57.487 56.400 0.095 0.000 0.811 255 E CB -0.854 28.922 29.700 0.125 0.000 0.746 255 E HN 0.151 nan 8.360 nan 0.000 0.466 256 A N 2.504 125.371 122.820 0.077 0.000 3.077 256 A HA 0.000 4.320 4.320 0.001 0.000 0.255 256 A C 1.195 178.807 177.584 0.048 0.000 1.728 256 A CA -0.287 51.803 52.037 0.089 0.000 1.383 256 A CB -0.778 18.127 19.000 -0.159 0.000 1.097 256 A HN 0.269 nan 8.150 nan 0.000 0.634 257 Q N 1.564 121.437 119.800 0.122 0.000 1.803 257 Q HA -0.240 4.100 4.340 0.001 0.000 0.292 257 Q C 0.250 176.247 176.000 -0.005 0.000 1.038 257 Q CA 1.669 57.516 55.803 0.073 0.000 0.889 257 Q CB -0.683 28.133 28.738 0.130 0.000 0.979 257 Q HN 0.757 nan 8.270 nan 0.000 0.415 258 N N 1.251 119.983 118.700 0.052 0.000 2.761 258 N HA 0.174 4.914 4.740 0.001 0.000 0.317 258 N C -1.292 174.056 175.510 -0.269 0.000 1.546 258 N CA -0.180 52.834 53.050 -0.061 0.000 1.015 258 N CB 0.551 39.065 38.487 0.045 0.000 1.343 258 N HN 0.191 nan 8.380 nan 0.000 0.504 259 D N 1.122 121.221 120.400 -0.501 0.000 2.383 259 D HA 0.528 5.168 4.640 0.001 0.000 0.248 259 D C -0.422 175.574 176.300 -0.507 0.000 1.170 259 D CA -0.111 53.404 54.000 -0.808 0.000 0.977 259 D CB 0.719 41.239 40.800 -0.467 0.000 1.120 259 D HN 0.305 nan 8.370 nan 0.000 0.481 260 F N -2.877 116.775 119.950 -0.495 0.000 2.725 260 F HA 0.487 5.014 4.527 0.000 0.000 0.309 260 F C -3.010 172.631 175.800 -0.264 0.000 1.132 260 F CA -2.096 55.599 58.000 -0.509 0.000 0.957 260 F CB 0.424 38.974 39.000 -0.749 0.000 1.286 260 F HN 0.053 nan 8.300 nan 0.000 0.440 261 P HA 0.188 nan 4.420 nan 0.000 0.266 261 P C 0.053 177.326 177.300 -0.045 0.000 1.193 261 P CA 0.107 63.205 63.100 -0.003 0.000 0.770 261 P CB 1.301 33.078 31.700 0.127 0.000 0.836 262 V N 0.855 120.765 119.914 -0.006 0.000 3.180 262 V HA 0.443 4.563 4.120 0.001 0.000 0.246 262 V C 0.084 176.244 176.094 0.110 0.000 1.545 262 V CA 1.010 63.329 62.300 0.031 0.000 1.138 262 V CB 0.630 32.405 31.823 -0.080 0.000 0.978 262 V HN 0.689 nan 8.190 nan 0.000 0.437 263 A N 0.530 123.410 122.820 0.101 0.000 2.594 263 A HA 0.915 5.235 4.320 0.001 0.000 0.295 263 A C -1.192 176.465 177.584 0.121 0.000 1.071 263 A CA -0.323 51.789 52.037 0.125 0.000 0.685 263 A CB 2.122 21.194 19.000 0.119 0.000 1.285 263 A HN 0.243 nan 8.150 nan 0.000 0.405 264 M N 1.275 120.954 119.600 0.131 0.000 2.413 264 M HA 0.561 5.042 4.480 0.001 0.000 0.287 264 M C -2.178 174.214 176.300 0.155 0.000 1.186 264 M CA -0.328 55.051 55.300 0.133 0.000 0.927 264 M CB 2.100 34.746 32.600 0.077 0.000 1.715 264 M HN 0.710 nan 8.290 nan 0.000 0.478 265 Q N 4.009 123.938 119.800 0.214 0.000 2.377 265 Q HA 0.614 4.954 4.340 0.001 0.000 0.279 265 Q C -1.693 174.495 176.000 0.312 0.000 1.049 265 Q CA -0.527 55.418 55.803 0.236 0.000 0.825 265 Q CB 3.105 31.976 28.738 0.222 0.000 1.401 265 Q HN 0.866 nan 8.270 nan 0.000 0.404 266 I N 0.547 121.264 120.570 0.245 0.000 2.569 266 I HA 0.303 4.474 4.170 0.001 0.000 0.296 266 I C 0.013 176.275 176.117 0.242 0.000 1.028 266 I CA -0.687 60.725 61.300 0.186 0.000 1.082 266 I CB 2.215 40.267 38.000 0.087 0.000 1.264 266 I HN 0.415 nan 8.210 nan 0.000 0.429 267 S N 3.471 119.315 115.700 0.239 0.000 2.430 267 S HA 0.192 4.662 4.470 0.001 0.000 0.289 267 S C 0.710 175.406 174.600 0.161 0.000 1.143 267 S CA -0.299 58.072 58.200 0.285 0.000 1.067 267 S CB 0.814 64.280 63.200 0.443 0.000 0.964 267 S HN 0.677 nan 8.310 nan 0.000 0.485 268 E N 3.778 124.052 120.200 0.124 0.000 2.230 268 E HA 0.026 4.376 4.350 0.001 0.000 0.192 268 E C 1.807 178.427 176.600 0.033 0.000 0.987 268 E CA 0.718 57.174 56.400 0.094 0.000 0.841 268 E CB 0.085 29.836 29.700 0.085 0.000 0.783 268 E HN 0.778 nan 8.360 nan 0.000 0.481 269 K N -0.772 119.603 120.400 -0.041 0.000 2.148 269 K HA -0.148 4.172 4.320 0.001 0.000 0.204 269 K C 0.847 177.202 176.600 -0.408 0.000 1.050 269 K CA 1.542 57.683 56.287 -0.242 0.000 0.942 269 K CB 0.019 32.302 32.500 -0.362 0.000 0.724 269 K HN 0.273 nan 8.250 nan 0.000 0.446 270 H N -0.579 118.553 119.070 0.103 0.000 2.986 270 H HA 0.182 4.738 4.556 0.001 0.000 0.267 270 H C -0.658 174.718 175.328 0.081 0.000 1.072 270 H CA 0.120 56.220 56.048 0.087 0.000 1.202 270 H CB 0.885 30.691 29.762 0.074 0.000 1.535 270 H HN 0.185 nan 8.280 nan 0.000 0.522 271 D N 0.838 121.334 120.400 0.159 0.000 2.716 271 D HA -0.135 4.505 4.640 0.001 0.000 0.239 271 D C -0.806 175.513 176.300 0.032 0.000 1.125 271 D CA 0.399 54.474 54.000 0.124 0.000 0.681 271 D CB -1.369 39.569 40.800 0.230 0.000 1.070 271 D HN 0.159 nan 8.370 nan 0.000 0.432 272 V N 0.320 120.217 119.914 -0.029 0.000 2.680 272 V HA 0.463 4.584 4.120 0.001 0.000 0.309 272 V C 0.446 176.354 176.094 -0.309 0.000 1.052 272 V CA -0.865 61.318 62.300 -0.195 0.000 0.908 272 V CB 2.607 34.236 31.823 -0.324 0.000 1.001 272 V HN -0.019 nan 8.190 nan 0.000 0.431 273 V N 4.868 124.628 119.914 -0.257 0.000 2.394 273 V HA 0.462 4.583 4.120 0.001 0.000 0.282 273 V C -0.621 175.346 176.094 -0.212 0.000 1.031 273 V CA -0.331 61.877 62.300 -0.154 0.000 0.881 273 V CB 1.197 33.006 31.823 -0.024 0.000 0.982 273 V HN 0.648 nan 8.190 nan 0.000 0.451 274 F N 5.566 125.580 119.950 0.107 0.000 2.404 274 F HA 0.615 5.142 4.527 0.000 0.000 0.354 274 F C -0.132 175.732 175.800 0.106 0.000 1.122 274 F CA -0.504 57.559 58.000 0.105 0.000 1.080 274 F CB 1.581 40.632 39.000 0.085 0.000 1.131 274 F HN 0.314 nan 8.300 nan 0.000 0.471 275 L N 5.488 126.887 121.223 0.292 0.000 2.341 275 L HA 0.677 5.017 4.340 0.001 0.000 0.278 275 L C -1.118 175.865 176.870 0.187 0.000 1.005 275 L CA -0.342 54.606 54.840 0.180 0.000 0.818 275 L CB 1.223 43.331 42.059 0.081 0.000 1.259 275 L HN 0.493 nan 8.230 nan 0.000 0.418 276 I N 3.769 124.422 120.570 0.137 0.000 2.433 276 I HA 0.441 4.611 4.170 0.001 0.000 0.292 276 I C 0.264 176.431 176.117 0.084 0.000 1.001 276 I CA -0.513 60.866 61.300 0.131 0.000 1.119 276 I CB 2.211 40.269 38.000 0.098 0.000 1.289 276 I HN 0.736 nan 8.210 nan 0.000 0.438 277 T N 1.257 115.879 114.554 0.112 0.000 2.897 277 T HA 0.282 4.632 4.350 0.001 0.000 0.278 277 T C 0.897 175.560 174.700 -0.061 0.000 0.981 277 T CA -0.637 61.476 62.100 0.022 0.000 0.973 277 T CB 1.738 70.683 68.868 0.129 0.000 1.092 277 T HN 0.511 nan 8.240 nan 0.000 0.543 278 K N -0.247 119.943 120.400 -0.349 0.000 2.103 278 K HA -0.042 4.279 4.320 0.001 0.000 0.207 278 K C 1.280 178.002 176.600 0.203 0.000 1.048 278 K CA 1.535 57.615 56.287 -0.345 0.000 0.930 278 K CB -0.750 31.159 32.500 -0.985 0.000 0.716 278 K HN 0.803 nan 8.250 nan 0.000 0.444 279 Y N -0.755 119.557 120.300 0.020 0.000 2.495 279 Y HA 0.164 4.714 4.550 0.001 0.000 0.293 279 Y C 1.033 177.001 175.900 0.114 0.000 1.186 279 Y CA -0.382 57.791 58.100 0.121 0.000 1.266 279 Y CB 0.397 38.996 38.460 0.231 0.000 1.101 279 Y HN 0.344 nan 8.280 nan 0.000 0.517 280 G N -0.263 108.675 108.800 0.231 0.000 2.141 280 G HA2 -0.315 3.646 3.960 0.001 0.000 0.242 280 G HA3 -0.315 3.646 3.960 0.001 0.000 0.242 280 G C -0.414 174.471 174.900 -0.026 0.000 0.982 280 G CA -0.415 44.720 45.100 0.059 0.000 0.662 280 G HN 0.353 nan 8.290 nan 0.000 0.527 281 Y N -0.867 119.455 120.300 0.036 0.000 2.307 281 Y HA 0.708 5.258 4.550 0.000 0.000 0.324 281 Y C 0.649 176.572 175.900 0.038 0.000 1.238 281 Y CA -0.623 57.474 58.100 -0.005 0.000 1.280 281 Y CB 1.272 39.736 38.460 0.006 0.000 1.248 281 Y HN 0.262 nan 8.280 nan 0.000 0.508 282 I N 2.334 122.986 120.570 0.137 0.000 2.582 282 I HA 0.403 4.573 4.170 0.001 0.000 0.292 282 I C -1.229 174.960 176.117 0.120 0.000 1.066 282 I CA -0.250 61.156 61.300 0.175 0.000 1.053 282 I CB 1.112 39.154 38.000 0.070 0.000 1.241 282 I HN 0.644 nan 8.210 nan 0.000 0.421 283 H N 6.952 126.032 119.070 0.016 0.000 2.768 283 H HA 0.574 5.130 4.556 0.000 0.000 0.371 283 H C -1.306 173.927 175.328 -0.158 0.000 1.151 283 H CA -1.133 54.818 56.048 -0.162 0.000 1.165 283 H CB 2.220 31.813 29.762 -0.281 0.000 1.722 283 H HN 0.301 nan 8.280 nan 0.000 0.543 284 L N 3.019 124.123 121.223 -0.198 0.000 2.362 284 L HA 0.405 4.745 4.340 0.001 0.000 0.275 284 L C -1.268 175.336 176.870 -0.444 0.000 0.998 284 L CA -0.702 53.997 54.840 -0.234 0.000 0.820 284 L CB 1.351 43.326 42.059 -0.140 0.000 1.270 284 L HN 0.559 nan 8.230 nan 0.000 0.415 285 Y N 0.113 120.347 120.300 -0.110 0.000 2.499 285 Y HA 0.248 4.798 4.550 0.000 0.000 0.347 285 Y C 0.048 175.875 175.900 -0.121 0.000 0.987 285 Y CA -0.907 57.136 58.100 -0.094 0.000 1.044 285 Y CB 2.020 40.413 38.460 -0.112 0.000 1.245 285 Y HN 0.504 nan 8.280 nan 0.000 0.461 286 D N 1.844 122.290 120.400 0.077 0.000 2.348 286 D HA 0.022 4.662 4.640 0.001 0.000 0.253 286 D C 0.575 176.862 176.300 -0.022 0.000 1.161 286 D CA -0.071 53.938 54.000 0.016 0.000 0.876 286 D CB 1.369 42.187 40.800 0.030 0.000 1.160 286 D HN 0.535 nan 8.370 nan 0.000 0.459 287 L N 4.166 125.339 121.223 -0.083 0.000 2.093 287 L HA -0.049 4.291 4.340 0.001 0.000 0.208 287 L C 1.897 178.610 176.870 -0.262 0.000 1.085 287 L CA 1.888 56.615 54.840 -0.188 0.000 0.755 287 L CB -0.614 41.303 42.059 -0.236 0.000 0.904 287 L HN 0.752 nan 8.230 nan 0.000 0.435 288 E N -1.458 118.580 120.200 -0.270 0.000 2.158 288 E HA -0.163 4.187 4.350 0.001 0.000 0.191 288 E C 1.582 178.178 176.600 -0.006 0.000 0.982 288 E CA 1.476 57.769 56.400 -0.177 0.000 0.823 288 E CB -0.038 29.626 29.700 -0.060 0.000 0.766 288 E HN 0.619 nan 8.360 nan 0.000 0.468 289 T N -4.545 109.998 114.554 -0.018 0.000 2.959 289 T HA 0.350 4.700 4.350 0.001 0.000 0.254 289 T C 1.454 176.140 174.700 -0.023 0.000 1.003 289 T CA 0.595 62.681 62.100 -0.024 0.000 0.950 289 T CB 0.782 69.643 68.868 -0.011 0.000 1.090 289 T HN 0.332 nan 8.240 nan 0.000 0.503 290 G N 1.470 110.260 108.800 -0.018 0.000 2.157 290 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 290 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 290 G C 0.164 175.095 174.900 0.053 0.000 0.979 290 G CA 0.168 45.245 45.100 -0.038 0.000 0.650 290 G HN 0.761 nan 8.290 nan 0.000 0.529 291 T N 0.652 115.246 114.554 0.066 0.000 2.902 291 T HA 0.316 4.667 4.350 0.001 0.000 0.301 291 T C 0.837 175.634 174.700 0.162 0.000 1.012 291 T CA 0.570 62.723 62.100 0.088 0.000 1.151 291 T CB 1.403 70.298 68.868 0.045 0.000 0.946 291 T HN 0.739 nan 8.240 nan 0.000 0.542 292 C N 5.237 124.632 119.300 0.159 0.000 2.482 292 C HA 0.389 4.850 4.460 0.001 0.000 0.378 292 C C 1.657 176.614 174.990 -0.054 0.000 1.284 292 C CA -0.595 58.421 59.018 -0.004 0.000 1.826 292 C CB -2.055 25.679 27.740 -0.010 0.000 2.473 292 C HN 0.965 nan 8.230 nan 0.000 0.562 293 I N 3.820 124.337 120.570 -0.089 0.000 2.867 293 I HA 0.197 4.368 4.170 0.001 0.000 0.265 293 I C -0.106 176.114 176.117 0.172 0.000 1.162 293 I CA 0.462 61.797 61.300 0.060 0.000 1.471 293 I CB -0.008 38.018 38.000 0.043 0.000 1.123 293 I HN 0.696 nan 8.210 nan 0.000 0.440 294 Y N 0.402 120.607 120.300 -0.160 0.000 2.565 294 Y HA 0.590 5.140 4.550 0.001 0.000 0.330 294 Y C -1.457 174.310 175.900 -0.222 0.000 1.150 294 Y CA -1.422 56.587 58.100 -0.152 0.000 1.055 294 Y CB 1.322 39.648 38.460 -0.223 0.000 1.337 294 Y HN -0.211 nan 8.280 nan 0.000 0.457 295 M N 4.534 123.597 119.600 -0.896 0.000 2.484 295 M HA 0.463 4.943 4.480 0.001 0.000 0.289 295 M C -1.375 174.430 176.300 -0.826 0.000 1.206 295 M CA -0.679 54.176 55.300 -0.742 0.000 0.892 295 M CB 2.685 34.920 32.600 -0.609 0.000 1.712 295 M HN 0.739 nan 8.290 nan 0.000 0.462 296 N N 0.704 119.123 118.700 -0.469 0.000 3.465 296 N HA 0.390 5.130 4.740 0.001 0.000 0.244 296 N C -2.153 173.227 175.510 -0.217 0.000 1.454 296 N CA -0.710 52.160 53.050 -0.299 0.000 0.865 296 N CB 2.139 40.465 38.487 -0.270 0.000 1.439 296 N HN 0.740 nan 8.380 nan 0.000 0.480 297 R N 1.480 121.799 120.500 -0.302 0.000 2.437 297 R HA 0.525 4.865 4.340 0.001 0.000 0.310 297 R C 0.902 176.964 176.300 -0.397 0.000 0.955 297 R CA -0.343 55.453 56.100 -0.507 0.000 0.851 297 R CB 0.539 30.339 30.300 -0.834 0.000 1.161 297 R HN 0.647 nan 8.270 nan 0.000 0.446 298 I N -0.833 119.485 120.570 -0.420 0.000 4.187 298 I HA 0.355 4.525 4.170 0.001 0.000 0.326 298 I C 0.079 176.015 176.117 -0.302 0.000 1.302 298 I CA -0.230 60.718 61.300 -0.586 0.000 1.196 298 I CB 1.089 38.511 38.000 -0.964 0.000 1.095 298 I HN 0.299 nan 8.210 nan 0.000 0.411 299 S N 0.090 115.670 115.700 -0.199 0.000 2.546 299 S HA 0.707 5.178 4.470 0.001 0.000 0.274 299 S C 0.351 174.899 174.600 -0.086 0.000 1.121 299 S CA -0.060 58.097 58.200 -0.072 0.000 0.887 299 S CB 1.800 64.993 63.200 -0.013 0.000 1.094 299 S HN 0.309 nan 8.310 nan 0.000 0.474 300 G N 1.575 110.350 108.800 -0.042 0.000 2.673 300 G HA2 0.213 4.173 3.960 0.001 0.000 0.208 300 G HA3 0.213 4.173 3.960 0.001 0.000 0.208 300 G C 0.204 175.093 174.900 -0.019 0.000 1.128 300 G CA 0.005 45.074 45.100 -0.051 0.000 0.805 300 G HN 0.605 nan 8.290 nan 0.000 0.526 301 E N 0.417 120.626 120.200 0.015 0.000 2.345 301 E HA 0.255 4.605 4.350 0.001 0.000 0.259 301 E C -0.505 176.146 176.600 0.085 0.000 1.117 301 E CA -0.095 56.334 56.400 0.048 0.000 0.913 301 E CB 1.110 30.852 29.700 0.071 0.000 1.057 301 E HN -0.030 nan 8.360 nan 0.000 0.432 302 T N 1.068 115.699 114.554 0.128 0.000 2.817 302 T HA 0.294 4.644 4.350 0.001 0.000 0.293 302 T C 0.227 175.054 174.700 0.211 0.000 0.964 302 T CA -0.478 61.721 62.100 0.166 0.000 1.085 302 T CB -0.047 68.930 68.868 0.182 0.000 0.921 302 T HN 0.211 nan 8.240 nan 0.000 0.502 303 I N 7.518 128.172 120.570 0.140 0.000 2.260 303 I HA 0.158 4.329 4.170 0.001 0.000 0.297 303 I C 0.860 177.028 176.117 0.084 0.000 1.143 303 I CA -0.267 61.075 61.300 0.069 0.000 1.271 303 I CB 0.069 38.084 38.000 0.025 0.000 1.461 303 I HN 0.717 nan 8.210 nan 0.000 0.530 304 F N 5.666 125.697 119.950 0.136 0.000 2.804 304 F HA 0.445 4.973 4.527 0.001 0.000 0.303 304 F C 0.170 176.119 175.800 0.248 0.000 1.154 304 F CA -0.264 57.851 58.000 0.192 0.000 1.401 304 F CB -0.193 38.941 39.000 0.224 0.000 1.106 304 F HN 0.173 nan 8.300 nan 0.000 0.568 305 V N 0.194 119.926 119.914 -0.302 0.000 3.098 305 V HA 0.675 4.795 4.120 0.001 0.000 0.294 305 V C -0.795 175.239 176.094 -0.100 0.000 1.351 305 V CA 0.341 62.569 62.300 -0.119 0.000 0.999 305 V CB 1.947 33.642 31.823 -0.214 0.000 1.104 305 V HN 0.535 nan 8.190 nan 0.000 0.438 306 T N 2.476 117.039 114.554 0.015 0.000 2.671 306 T HA 1.021 5.371 4.350 0.001 0.000 0.300 306 T C -0.497 174.237 174.700 0.056 0.000 1.238 306 T CA -0.234 61.878 62.100 0.020 0.000 1.020 306 T CB 1.579 70.470 68.868 0.038 0.000 1.503 306 T HN 2.558 nan 8.240 nan 0.000 0.497 307 A N 0.631 123.483 122.820 0.054 0.000 2.583 307 A HA 0.812 5.132 4.320 0.001 0.000 0.292 307 A C -3.298 174.329 177.584 0.072 0.000 1.045 307 A CA -1.314 50.766 52.037 0.072 0.000 0.672 307 A CB 0.663 19.697 19.000 0.057 0.000 1.283 307 A HN 0.755 nan 8.150 nan 0.000 0.419 308 P HA 0.301 nan 4.420 nan 0.000 0.274 308 P C -0.947 176.405 177.300 0.086 0.000 1.231 308 P CA 0.292 63.447 63.100 0.092 0.000 0.790 308 P CB 0.434 32.196 31.700 0.104 0.000 0.951 309 H N 2.210 121.260 119.070 -0.034 0.000 2.724 309 H HA 0.121 4.677 4.556 0.001 0.000 0.278 309 H C 1.156 176.464 175.328 -0.032 0.000 1.159 309 H CA -0.055 55.955 56.048 -0.063 0.000 1.254 309 H CB 0.274 29.984 29.762 -0.086 0.000 1.412 309 H HN 0.249 nan 8.280 nan 0.000 0.488 310 E N 3.686 123.725 120.200 -0.267 0.000 2.077 310 E HA -0.180 4.170 4.350 0.001 0.000 0.193 310 E C 2.056 178.504 176.600 -0.253 0.000 0.989 310 E CA 1.161 57.441 56.400 -0.200 0.000 0.800 310 E CB -0.403 29.205 29.700 -0.154 0.000 0.746 310 E HN 0.736 nan 8.360 nan 0.000 0.452 311 A N 1.240 123.775 122.820 -0.475 0.000 1.917 311 A HA -0.185 4.135 4.320 0.001 0.000 0.219 311 A C 2.399 179.913 177.584 -0.118 0.000 1.182 311 A CA 2.805 54.663 52.037 -0.298 0.000 0.633 311 A CB -0.781 18.018 19.000 -0.335 0.000 0.819 311 A HN 0.414 nan 8.150 nan 0.000 0.448 312 T N -5.356 109.168 114.554 -0.051 0.000 3.040 312 T HA 0.501 4.851 4.350 0.001 0.000 0.250 312 T C 0.756 175.583 174.700 0.213 0.000 1.058 312 T CA 1.061 63.259 62.100 0.164 0.000 0.988 312 T CB 0.047 69.102 68.868 0.312 0.000 0.993 312 T HN 1.911 nan 8.240 nan 0.000 0.519 313 A N -0.214 122.697 122.820 0.151 0.000 2.876 313 A HA 0.228 4.548 4.320 0.001 0.000 0.287 313 A C 0.784 178.557 177.584 0.316 0.000 1.455 313 A CA 0.756 52.923 52.037 0.217 0.000 0.744 313 A CB -1.851 17.292 19.000 0.239 0.000 1.041 313 A HN 1.326 nan 8.150 nan 0.000 0.500 314 G N -1.447 107.456 108.800 0.171 0.000 3.247 314 G HA2 0.742 4.702 3.960 0.001 0.000 0.199 314 G HA3 0.742 4.702 3.960 0.001 0.000 0.199 314 G C -0.415 174.309 174.900 -0.293 0.000 1.172 314 G CA -0.092 44.901 45.100 -0.178 0.000 0.844 314 G HN 1.289 nan 8.290 nan 0.000 0.619 315 I N 0.035 120.281 120.570 -0.541 0.000 2.545 315 I HA 0.730 4.900 4.170 0.001 0.000 0.292 315 I C -1.478 174.531 176.117 -0.181 0.000 1.040 315 I CA -1.229 59.897 61.300 -0.290 0.000 1.068 315 I CB 1.950 39.732 38.000 -0.363 0.000 1.251 315 I HN 0.451 nan 8.210 nan 0.000 0.424 316 I N 6.461 126.985 120.570 -0.077 0.000 2.608 316 I HA 0.817 4.987 4.170 0.001 0.000 0.295 316 I C -0.582 175.515 176.117 -0.033 0.000 1.049 316 I CA -0.211 61.047 61.300 -0.071 0.000 1.063 316 I CB 1.853 39.804 38.000 -0.082 0.000 1.248 316 I HN 0.715 nan 8.210 nan 0.000 0.424 317 G N 5.401 114.183 108.800 -0.031 0.000 2.721 317 G HA2 0.667 4.627 3.960 0.001 0.000 0.296 317 G HA3 0.667 4.627 3.960 0.001 0.000 0.296 317 G C -2.023 172.825 174.900 -0.086 0.000 1.383 317 G CA -0.482 44.578 45.100 -0.066 0.000 0.788 317 G HN 0.467 nan 8.290 nan 0.000 0.500 318 V N 1.166 120.957 119.914 -0.205 0.000 2.789 318 V HA 0.548 4.668 4.120 0.001 0.000 0.311 318 V C -0.625 175.344 176.094 -0.207 0.000 1.073 318 V CA -0.991 61.197 62.300 -0.185 0.000 0.921 318 V CB 1.771 33.449 31.823 -0.242 0.000 1.009 318 V HN 1.059 nan 8.190 nan 0.000 0.426 319 N N 3.267 121.999 118.700 0.053 0.000 2.813 319 N HA 0.435 5.175 4.740 0.001 0.000 0.320 319 N C 0.600 176.345 175.510 0.391 0.000 1.315 319 N CA -1.002 52.176 53.050 0.214 0.000 0.871 319 N CB 0.828 39.401 38.487 0.142 0.000 1.241 319 N HN 0.364 nan 8.380 nan 0.000 0.602 320 R N -0.735 119.956 120.500 0.319 0.000 2.189 320 R HA 0.054 4.394 4.340 0.001 0.000 0.223 320 R C 0.904 177.291 176.300 0.146 0.000 1.092 320 R CA 0.849 57.079 56.100 0.216 0.000 0.989 320 R CB -0.067 30.305 30.300 0.119 0.000 0.876 320 R HN 0.498 nan 8.270 nan 0.000 0.457 321 K N -0.834 119.641 120.400 0.125 0.000 2.296 321 K HA 0.064 4.384 4.320 0.001 0.000 0.200 321 K C 1.299 177.954 176.600 0.092 0.000 1.048 321 K CA 1.087 57.425 56.287 0.086 0.000 0.966 321 K CB 0.383 32.921 32.500 0.063 0.000 0.754 321 K HN 0.391 nan 8.250 nan 0.000 0.466 322 G N 1.349 110.224 108.800 0.125 0.000 2.175 322 G HA2 -0.211 3.750 3.960 0.001 0.000 0.182 322 G HA3 -0.211 3.750 3.960 0.001 0.000 0.182 322 G C -0.333 174.618 174.900 0.085 0.000 1.003 322 G CA -0.474 44.696 45.100 0.116 0.000 0.666 322 G HN 0.299 nan 8.290 nan 0.000 0.506 323 Q N 0.263 120.109 119.800 0.076 0.000 2.296 323 Q HA 0.469 4.809 4.340 0.001 0.000 0.262 323 Q C -0.062 175.964 176.000 0.043 0.000 0.981 323 Q CA -0.153 55.677 55.803 0.046 0.000 0.905 323 Q CB 2.169 30.934 28.738 0.045 0.000 1.186 323 Q HN 0.149 nan 8.270 nan 0.000 0.399 324 V N 5.940 125.873 119.914 0.032 0.000 2.288 324 V HA 0.224 4.345 4.120 0.001 0.000 0.266 324 V C -0.023 176.099 176.094 0.047 0.000 1.048 324 V CA -0.215 62.114 62.300 0.047 0.000 0.842 324 V CB -0.019 31.847 31.823 0.073 0.000 1.064 324 V HN 0.580 nan 8.190 nan 0.000 0.472 325 L N 3.717 124.965 121.223 0.042 0.000 2.399 325 L HA 0.816 5.156 4.340 0.001 0.000 0.265 325 L C 0.377 177.277 176.870 0.050 0.000 1.089 325 L CA -0.056 54.809 54.840 0.042 0.000 0.802 325 L CB 1.729 43.887 42.059 0.164 0.000 1.180 325 L HN 0.660 nan 8.230 nan 0.000 0.454 326 S N 0.574 116.286 115.700 0.020 0.000 2.550 326 S HA 0.824 5.295 4.470 0.001 0.000 0.270 326 S C -1.319 173.277 174.600 -0.007 0.000 1.145 326 S CA -0.622 57.561 58.200 -0.029 0.000 0.852 326 S CB 2.006 65.229 63.200 0.038 0.000 1.119 326 S HN 0.296 nan 8.310 nan 0.000 0.465 327 V N 1.740 121.580 119.914 -0.124 0.000 2.925 327 V HA 0.866 4.987 4.120 0.001 0.000 0.311 327 V C -0.076 175.857 176.094 -0.269 0.000 1.104 327 V CA -0.355 61.872 62.300 -0.121 0.000 0.954 327 V CB 1.216 32.971 31.823 -0.115 0.000 1.022 327 V HN 1.656 nan 8.190 nan 0.000 0.427 328 C N 1.589 120.828 119.300 -0.101 0.000 3.306 328 C HA 0.812 5.272 4.460 0.001 0.000 0.335 328 C C -0.627 174.400 174.990 0.062 0.000 1.382 328 C CA -0.764 58.253 59.018 -0.002 0.000 1.254 328 C CB 0.918 28.677 27.740 0.031 0.000 1.555 328 C HN 0.669 nan 8.230 nan 0.000 0.463 329 V N 2.100 122.043 119.914 0.047 0.000 2.637 329 V HA 0.357 4.477 4.120 0.001 0.000 0.296 329 V C 0.409 176.408 176.094 -0.157 0.000 1.046 329 V CA 0.788 63.001 62.300 -0.146 0.000 1.066 329 V CB 1.191 32.767 31.823 -0.412 0.000 0.968 329 V HN 0.953 nan 8.190 nan 0.000 0.483 330 E N 3.435 123.547 120.200 -0.147 0.000 2.001 330 E HA 0.157 4.507 4.350 0.001 0.000 0.279 330 E C 0.855 177.405 176.600 -0.083 0.000 1.045 330 E CA 0.017 56.360 56.400 -0.095 0.000 0.833 330 E CB 0.685 30.327 29.700 -0.097 0.000 1.077 330 E HN 0.646 nan 8.360 nan 0.000 0.397 331 E N 3.032 123.200 120.200 -0.054 0.000 2.333 331 E HA -0.190 4.161 4.350 0.001 0.000 0.200 331 E C 0.585 177.197 176.600 0.019 0.000 1.010 331 E CA 0.897 57.295 56.400 -0.004 0.000 0.841 331 E CB 0.333 30.081 29.700 0.080 0.000 0.757 331 E HN 0.567 nan 8.360 nan 0.000 0.508 332 E N -0.222 119.982 120.200 0.007 0.000 2.472 332 E HA 0.037 4.387 4.350 0.001 0.000 0.196 332 E C 0.798 177.406 176.600 0.014 0.000 1.033 332 E CA 0.153 56.564 56.400 0.018 0.000 0.886 332 E CB 0.389 30.099 29.700 0.016 0.000 0.944 332 E HN 0.211 nan 8.360 nan 0.000 0.492 333 N N 0.312 119.009 118.700 -0.004 0.000 2.273 333 N HA 0.080 4.820 4.740 0.001 0.000 0.192 333 N C 1.708 177.236 175.510 0.029 0.000 1.132 333 N CA -0.027 53.025 53.050 0.004 0.000 0.887 333 N CB 0.537 39.005 38.487 -0.032 0.000 1.048 333 N HN 0.102 nan 8.380 nan 0.000 0.490 334 I N 1.034 121.604 120.570 0.001 0.000 2.142 334 I HA -0.189 3.981 4.170 0.001 0.000 0.240 334 I C 1.516 177.696 176.117 0.105 0.000 1.078 334 I CA 1.039 62.360 61.300 0.034 0.000 1.343 334 I CB 0.098 38.079 38.000 -0.032 0.000 1.046 334 I HN -0.100 nan 8.210 nan 0.000 0.405 335 I N 1.416 122.034 120.570 0.080 0.000 2.163 335 I HA -0.182 3.989 4.170 0.001 0.000 0.243 335 I C -0.205 175.952 176.117 0.067 0.000 1.085 335 I CA 1.878 63.226 61.300 0.079 0.000 1.347 335 I CB -3.145 34.907 38.000 0.086 0.000 1.044 335 I HN 0.207 nan 8.210 nan 0.000 0.408 336 P HA -0.210 nan 4.420 nan 0.000 0.216 336 P C 1.961 179.296 177.300 0.059 0.000 1.150 336 P CA 1.428 64.557 63.100 0.049 0.000 0.837 336 P CB -0.252 31.480 31.700 0.052 0.000 0.786 337 Y N 0.200 120.489 120.300 -0.018 0.000 2.200 337 Y HA -0.145 4.406 4.550 0.000 0.000 0.290 337 Y C 2.055 177.948 175.900 -0.011 0.000 1.137 337 Y CA 1.409 59.499 58.100 -0.017 0.000 1.163 337 Y CB -0.867 37.574 38.460 -0.032 0.000 0.988 337 Y HN -0.190 nan 8.280 nan 0.000 0.518 338 I N -0.573 120.016 120.570 0.032 0.000 2.252 338 I HA -0.296 3.874 4.170 0.001 0.000 0.245 338 I C 2.156 178.202 176.117 -0.117 0.000 1.102 338 I CA 1.741 63.008 61.300 -0.054 0.000 1.385 338 I CB -0.574 37.459 38.000 0.054 0.000 1.064 338 I HN 0.227 nan 8.210 nan 0.000 0.414 339 T N 0.710 115.219 114.554 -0.075 0.000 2.701 339 T HA -0.092 4.258 4.350 0.001 0.000 0.263 339 T C 1.667 176.303 174.700 -0.106 0.000 1.040 339 T CA 1.433 63.484 62.100 -0.081 0.000 1.147 339 T CB -0.212 68.622 68.868 -0.057 0.000 0.865 339 T HN 0.294 nan 8.240 nan 0.000 0.426 340 N N 0.544 119.174 118.700 -0.117 0.000 2.305 340 N HA 0.069 4.810 4.740 0.001 0.000 0.179 340 N C 2.004 177.409 175.510 -0.176 0.000 1.019 340 N CA 0.563 53.543 53.050 -0.117 0.000 0.869 340 N CB -0.475 37.968 38.487 -0.072 0.000 1.000 340 N HN 0.200 nan 8.380 nan 0.000 0.431 341 V N 1.714 121.439 119.914 -0.314 0.000 2.331 341 V HA 0.036 4.157 4.120 0.001 0.000 0.242 341 V C 2.328 178.193 176.094 -0.382 0.000 1.034 341 V CA 0.847 62.913 62.300 -0.390 0.000 1.027 341 V CB -0.359 31.064 31.823 -0.667 0.000 0.667 341 V HN 0.182 nan 8.190 nan 0.000 0.457 342 L N -0.737 120.195 121.223 -0.484 0.000 2.291 342 L HA -0.060 4.280 4.340 0.001 0.000 0.214 342 L C 1.201 177.971 176.870 -0.167 0.000 1.120 342 L CA 0.837 55.512 54.840 -0.275 0.000 0.799 342 L CB -0.556 41.372 42.059 -0.217 0.000 0.925 342 L HN 0.515 nan 8.230 nan 0.000 0.446 343 Q N 0.741 120.444 119.800 -0.162 0.000 2.451 343 Q HA -0.239 4.101 4.340 0.001 0.000 0.305 343 Q C -0.053 175.896 176.000 -0.085 0.000 1.345 343 Q CA 0.360 56.098 55.803 -0.109 0.000 0.854 343 Q CB -1.245 27.436 28.738 -0.095 0.000 1.162 343 Q HN 0.314 nan 8.270 nan 0.000 0.440 344 N N -0.435 118.215 118.700 -0.083 0.000 2.791 344 N HA 0.253 4.993 4.740 0.001 0.000 0.265 344 N C -2.489 172.990 175.510 -0.052 0.000 1.580 344 N CA -1.970 51.045 53.050 -0.058 0.000 0.809 344 N CB 1.115 39.573 38.487 -0.048 0.000 1.178 344 N HN -0.073 nan 8.380 nan 0.000 0.499 345 P HA 0.017 nan 4.420 nan 0.000 0.226 345 P C 0.503 177.763 177.300 -0.066 0.000 1.153 345 P CA 0.848 63.907 63.100 -0.069 0.000 0.777 345 P CB 0.582 32.235 31.700 -0.078 0.000 0.794 346 D N -0.758 119.615 120.400 -0.044 0.000 2.137 346 D HA -0.069 4.571 4.640 0.001 0.000 0.202 346 D C 1.842 178.137 176.300 -0.008 0.000 0.970 346 D CA 0.748 54.730 54.000 -0.029 0.000 0.837 346 D CB -0.535 40.254 40.800 -0.020 0.000 0.981 346 D HN 0.067 nan 8.370 nan 0.000 0.475 347 L N 1.657 122.879 121.223 -0.003 0.000 2.046 347 L HA -0.072 4.268 4.340 0.001 0.000 0.208 347 L C 2.208 179.096 176.870 0.030 0.000 1.077 347 L CA 1.596 56.447 54.840 0.019 0.000 0.747 347 L CB -0.908 41.162 42.059 0.017 0.000 0.896 347 L HN -0.070 nan 8.230 nan 0.000 0.432 348 A N -0.454 122.371 122.820 0.008 0.000 1.883 348 A HA -0.200 4.121 4.320 0.001 0.000 0.217 348 A C 2.290 179.885 177.584 0.019 0.000 1.186 348 A CA 2.171 54.216 52.037 0.012 0.000 0.624 348 A CB -0.941 18.046 19.000 -0.021 0.000 0.822 348 A HN 0.507 nan 8.150 nan 0.000 0.444 349 L N -1.347 119.855 121.223 -0.035 0.000 2.156 349 L HA -0.129 4.211 4.340 0.001 0.000 0.208 349 L C 2.733 179.683 176.870 0.133 0.000 1.095 349 L CA 1.424 56.239 54.840 -0.041 0.000 0.770 349 L CB -0.372 41.573 42.059 -0.191 0.000 0.914 349 L HN 0.407 nan 8.230 nan 0.000 0.439 350 R N 0.906 121.464 120.500 0.097 0.000 2.055 350 R HA -0.165 4.176 4.340 0.001 0.000 0.228 350 R C 2.274 178.660 176.300 0.143 0.000 1.143 350 R CA 1.865 58.040 56.100 0.125 0.000 0.945 350 R CB -0.671 29.686 30.300 0.095 0.000 0.841 350 R HN 0.183 nan 8.270 nan 0.000 0.429 351 M N -0.087 119.588 119.600 0.124 0.000 2.144 351 M HA -0.143 4.337 4.480 0.001 0.000 0.260 351 M C 1.913 178.305 176.300 0.154 0.000 1.067 351 M CA 2.254 57.634 55.300 0.134 0.000 1.095 351 M CB -0.205 32.461 32.600 0.110 0.000 1.365 351 M HN 0.287 nan 8.290 nan 0.000 0.406 352 A N -0.559 122.366 122.820 0.176 0.000 1.845 352 A HA -0.117 4.203 4.320 0.001 0.000 0.215 352 A C 2.057 179.764 177.584 0.206 0.000 1.195 352 A CA 2.024 54.191 52.037 0.217 0.000 0.616 352 A CB -1.228 17.962 19.000 0.316 0.000 0.832 352 A HN 0.387 nan 8.150 nan 0.000 0.443 353 V N 0.381 120.448 119.914 0.254 0.000 2.261 353 V HA -0.277 3.844 4.120 0.001 0.000 0.246 353 V C 2.690 178.845 176.094 0.102 0.000 1.047 353 V CA 2.368 64.754 62.300 0.144 0.000 1.015 353 V CB -0.888 31.042 31.823 0.178 0.000 0.642 353 V HN 0.718 nan 8.190 nan 0.000 0.446 354 R N 0.796 121.369 120.500 0.122 0.000 2.113 354 R HA -0.245 4.095 4.340 0.001 0.000 0.244 354 R C 1.522 177.875 176.300 0.088 0.000 1.142 354 R CA 2.696 58.858 56.100 0.104 0.000 0.953 354 R CB -0.323 30.061 30.300 0.140 0.000 0.860 354 R HN 0.695 nan 8.270 nan 0.000 0.438 355 N N -0.137 118.628 118.700 0.107 0.000 2.203 355 N HA 0.025 4.765 4.740 0.001 0.000 0.207 355 N C -0.579 174.979 175.510 0.081 0.000 1.130 355 N CA 0.173 53.280 53.050 0.096 0.000 0.861 355 N CB 0.649 39.222 38.487 0.144 0.000 1.005 355 N HN 0.252 nan 8.380 nan 0.000 0.507 356 N N 0.971 119.714 118.700 0.070 0.000 2.740 356 N HA -0.168 4.572 4.740 0.001 0.000 0.248 356 N C -1.290 174.262 175.510 0.071 0.000 1.062 356 N CA 0.510 53.589 53.050 0.048 0.000 0.704 356 N CB -1.145 37.357 38.487 0.025 0.000 0.968 356 N HN 0.285 nan 8.380 nan 0.000 0.547 357 L N -0.454 120.832 121.223 0.104 0.000 2.352 357 L HA 0.816 5.157 4.340 0.001 0.000 0.269 357 L C 0.973 177.910 176.870 0.112 0.000 1.034 357 L CA -0.635 54.273 54.840 0.115 0.000 0.806 357 L CB 1.539 43.680 42.059 0.136 0.000 1.244 357 L HN 0.246 nan 8.230 nan 0.000 0.447 358 A N 0.227 123.104 122.820 0.095 0.000 2.281 358 A HA 0.774 5.094 4.320 0.001 0.000 0.329 358 A C 0.633 178.276 177.584 0.098 0.000 1.122 358 A CA 0.332 52.427 52.037 0.098 0.000 0.850 358 A CB 1.260 20.301 19.000 0.068 0.000 1.207 358 A HN 0.974 nan 8.150 nan 0.000 0.495 359 G N -1.830 107.033 108.800 0.104 0.000 2.260 359 G HA2 0.230 4.190 3.960 0.001 0.000 0.179 359 G HA3 0.230 4.190 3.960 0.001 0.000 0.179 359 G C 0.488 175.438 174.900 0.083 0.000 1.002 359 G CA 0.466 45.614 45.100 0.080 0.000 0.677 359 G HN 1.948 nan 8.290 nan 0.000 0.486 360 A N 0.160 123.068 122.820 0.147 0.000 2.630 360 A HA 0.662 4.982 4.320 0.001 0.000 0.290 360 A C 1.313 178.997 177.584 0.167 0.000 1.267 360 A CA 1.072 53.149 52.037 0.065 0.000 0.950 360 A CB 0.015 18.981 19.000 -0.058 0.000 1.144 360 A HN 0.291 nan 8.150 nan 0.000 0.527 361 E N 0.373 120.701 120.200 0.213 0.000 2.085 361 E HA -0.235 4.115 4.350 0.001 0.000 0.194 361 E C 1.728 178.417 176.600 0.149 0.000 0.994 361 E CA 1.644 58.181 56.400 0.228 0.000 0.801 361 E CB -0.051 29.720 29.700 0.117 0.000 0.743 361 E HN 0.782 nan 8.360 nan 0.000 0.453 362 E N 0.254 120.491 120.200 0.061 0.000 2.152 362 E HA -0.121 4.230 4.350 0.001 0.000 0.192 362 E C 1.795 178.394 176.600 -0.002 0.000 0.983 362 E CA 0.498 56.913 56.400 0.025 0.000 0.818 362 E CB 0.075 29.777 29.700 0.002 0.000 0.758 362 E HN 0.270 nan 8.360 nan 0.000 0.467 363 L N -0.284 120.895 121.223 -0.073 0.000 2.217 363 L HA -0.066 4.274 4.340 0.001 0.000 0.211 363 L C 2.080 178.847 176.870 -0.172 0.000 1.107 363 L CA 0.693 55.433 54.840 -0.168 0.000 0.783 363 L CB -0.334 41.537 42.059 -0.313 0.000 0.919 363 L HN 0.178 nan 8.230 nan 0.000 0.442 364 F N 0.099 120.076 119.950 0.046 0.000 2.187 364 F HA -0.094 4.434 4.527 0.000 0.000 0.295 364 F C 2.660 178.512 175.800 0.088 0.000 1.091 364 F CA 0.817 58.859 58.000 0.069 0.000 1.308 364 F CB -0.263 38.769 39.000 0.053 0.000 1.030 364 F HN -0.009 nan 8.300 nan 0.000 0.487 365 A N 0.330 123.283 122.820 0.221 0.000 1.858 365 A HA -0.208 4.112 4.320 0.001 0.000 0.216 365 A C 2.194 179.874 177.584 0.159 0.000 1.190 365 A CA 1.623 53.737 52.037 0.129 0.000 0.617 365 A CB -0.876 18.152 19.000 0.046 0.000 0.827 365 A HN 0.249 nan 8.150 nan 0.000 0.443 366 R N -0.463 120.096 120.500 0.099 0.000 2.133 366 R HA -0.246 4.094 4.340 0.001 0.000 0.245 366 R C 2.425 178.788 176.300 0.105 0.000 1.137 366 R CA 2.304 58.447 56.100 0.073 0.000 0.947 366 R CB -0.302 30.012 30.300 0.023 0.000 0.865 366 R HN 0.615 nan 8.270 nan 0.000 0.437 367 K N -0.537 119.936 120.400 0.122 0.000 2.097 367 K HA -0.191 4.129 4.320 0.001 0.000 0.206 367 K C 1.992 178.716 176.600 0.206 0.000 1.049 367 K CA 1.572 57.941 56.287 0.137 0.000 0.933 367 K CB -0.219 32.365 32.500 0.139 0.000 0.717 367 K HN 0.116 nan 8.250 nan 0.000 0.442 368 F N 2.264 122.290 119.950 0.127 0.000 2.039 368 F HA -0.228 4.299 4.527 0.000 0.000 0.294 368 F C 1.897 177.767 175.800 0.115 0.000 1.130 368 F CA 1.682 59.768 58.000 0.144 0.000 1.189 368 F CB -0.441 38.628 39.000 0.116 0.000 0.983 368 F HN 0.092 nan 8.300 nan 0.000 0.471 369 N N 1.129 120.046 118.700 0.360 0.000 2.060 369 N HA -0.275 4.465 4.740 0.001 0.000 0.195 369 N C 1.949 177.517 175.510 0.096 0.000 1.028 369 N CA 1.774 54.930 53.050 0.177 0.000 0.861 369 N CB -1.100 37.459 38.487 0.120 0.000 1.029 369 N HN 0.486 nan 8.380 nan 0.000 0.428 370 A N 1.504 124.372 122.820 0.079 0.000 1.865 370 A HA -0.083 4.237 4.320 0.001 0.000 0.217 370 A C 2.411 180.001 177.584 0.011 0.000 1.191 370 A CA 1.129 53.190 52.037 0.040 0.000 0.623 370 A CB -0.842 18.178 19.000 0.033 0.000 0.826 370 A HN 0.258 nan 8.150 nan 0.000 0.444 371 L N -2.354 118.863 121.223 -0.009 0.000 2.191 371 L HA -0.141 4.199 4.340 0.001 0.000 0.212 371 L C 2.427 179.225 176.870 -0.121 0.000 1.103 371 L CA 1.028 55.826 54.840 -0.070 0.000 0.769 371 L CB -0.536 41.481 42.059 -0.070 0.000 0.908 371 L HN 0.404 nan 8.230 nan 0.000 0.438 372 F N 0.666 120.455 119.950 -0.270 0.000 2.216 372 F HA -0.210 4.318 4.527 0.000 0.000 0.300 372 F C 2.440 178.163 175.800 -0.128 0.000 1.085 372 F CA 1.172 59.035 58.000 -0.229 0.000 1.326 372 F CB -0.143 38.709 39.000 -0.246 0.000 1.027 372 F HN 0.017 nan 8.300 nan 0.000 0.497 373 A N -0.297 122.564 122.820 0.069 0.000 1.825 373 A HA -0.233 4.087 4.320 0.001 0.000 0.214 373 A C 1.933 179.462 177.584 -0.092 0.000 1.206 373 A CA 1.514 53.562 52.037 0.018 0.000 0.609 373 A CB -1.056 17.956 19.000 0.021 0.000 0.851 373 A HN 0.347 nan 8.150 nan 0.000 0.445 374 Q N -0.929 118.807 119.800 -0.107 0.000 2.404 374 Q HA -0.006 4.335 4.340 0.001 0.000 0.214 374 Q C 1.226 177.059 176.000 -0.277 0.000 0.992 374 Q CA 1.305 57.019 55.803 -0.148 0.000 0.899 374 Q CB -0.720 27.943 28.738 -0.125 0.000 0.921 374 Q HN 1.202 nan 8.270 nan 0.000 0.453 375 G N 0.751 109.288 108.800 -0.438 0.000 2.221 375 G HA2 -0.393 3.567 3.960 0.001 0.000 0.265 375 G HA3 -0.393 3.567 3.960 0.001 0.000 0.265 375 G C 0.042 174.279 174.900 -1.105 0.000 1.041 375 G CA 0.349 44.868 45.100 -0.968 0.000 0.807 375 G HN 0.549 nan 8.290 nan 0.000 0.502 376 N N -0.240 118.062 118.700 -0.663 0.000 2.802 376 N HA 0.274 5.015 4.740 0.001 0.000 0.288 376 N C 1.685 177.006 175.510 -0.315 0.000 1.268 376 N CA -0.418 52.389 53.050 -0.406 0.000 1.035 376 N CB -0.219 38.149 38.487 -0.199 0.000 1.353 376 N HN 0.572 nan 8.380 nan 0.000 0.522 377 Y N -0.222 119.996 120.300 -0.136 0.000 2.240 377 Y HA -0.431 4.119 4.550 0.001 0.000 0.278 377 Y C 2.751 178.731 175.900 0.133 0.000 1.247 377 Y CA 1.533 59.647 58.100 0.022 0.000 1.183 377 Y CB -0.387 38.121 38.460 0.081 0.000 0.956 377 Y HN 0.453 nan 8.280 nan 0.000 0.533 378 S N -0.689 115.087 115.700 0.126 0.000 2.371 378 S HA -0.175 4.296 4.470 0.001 0.000 0.224 378 S C 1.779 176.431 174.600 0.088 0.000 1.029 378 S CA 1.206 59.462 58.200 0.093 0.000 0.978 378 S CB -0.234 62.993 63.200 0.046 0.000 0.833 378 S HN 0.334 nan 8.310 nan 0.000 0.466 379 E N 2.369 122.598 120.200 0.049 0.000 2.072 379 E HA 0.158 4.509 4.350 0.001 0.000 0.190 379 E C 2.190 178.855 176.600 0.109 0.000 0.982 379 E CA 1.332 57.767 56.400 0.058 0.000 0.803 379 E CB -0.963 28.746 29.700 0.016 0.000 0.755 379 E HN 0.545 nan 8.360 nan 0.000 0.453 380 A N 0.695 123.565 122.820 0.083 0.000 1.948 380 A HA -0.167 4.153 4.320 0.001 0.000 0.220 380 A C 2.348 180.153 177.584 0.369 0.000 1.177 380 A CA 2.352 54.418 52.037 0.049 0.000 0.636 380 A CB -0.806 18.090 19.000 -0.172 0.000 0.815 380 A HN 0.323 nan 8.150 nan 0.000 0.449 381 A N -1.048 122.033 122.820 0.436 0.000 2.072 381 A HA 0.030 4.351 4.320 0.001 0.000 0.216 381 A C 2.033 179.811 177.584 0.325 0.000 1.156 381 A CA 1.497 53.803 52.037 0.448 0.000 0.701 381 A CB -0.288 18.795 19.000 0.138 0.000 0.816 381 A HN 0.545 nan 8.150 nan 0.000 0.458 382 K N -0.008 120.524 120.400 0.220 0.000 1.984 382 K HA -0.088 4.232 4.320 0.001 0.000 0.209 382 K C 1.802 178.516 176.600 0.189 0.000 1.046 382 K CA 1.647 58.024 56.287 0.150 0.000 0.934 382 K CB -0.303 32.266 32.500 0.114 0.000 0.717 382 K HN 0.188 nan 8.250 nan 0.000 0.438 383 V N 1.414 121.477 119.914 0.247 0.000 2.324 383 V HA -0.299 3.821 4.120 0.001 0.000 0.250 383 V C 2.393 178.642 176.094 0.259 0.000 1.060 383 V CA 2.176 64.644 62.300 0.279 0.000 1.042 383 V CB -0.783 31.264 31.823 0.374 0.000 0.650 383 V HN 0.509 nan 8.190 nan 0.000 0.450 384 A N -0.494 122.564 122.820 0.396 0.000 1.970 384 A HA 0.130 4.450 4.320 0.001 0.000 0.216 384 A C 2.330 180.029 177.584 0.192 0.000 1.170 384 A CA 1.494 53.696 52.037 0.274 0.000 0.645 384 A CB -0.504 18.720 19.000 0.373 0.000 0.816 384 A HN 0.561 nan 8.150 nan 0.000 0.447 385 A N -0.202 122.740 122.820 0.203 0.000 2.014 385 A HA -0.056 4.264 4.320 0.001 0.000 0.218 385 A C 1.729 179.321 177.584 0.013 0.000 1.163 385 A CA 1.367 53.450 52.037 0.077 0.000 0.652 385 A CB -0.255 18.754 19.000 0.015 0.000 0.808 385 A HN 0.524 nan 8.150 nan 0.000 0.449 386 N N -0.403 118.300 118.700 0.005 0.000 2.294 386 N HA 0.195 4.935 4.740 0.001 0.000 0.186 386 N C 0.631 176.048 175.510 -0.156 0.000 1.107 386 N CA 0.650 53.674 53.050 -0.043 0.000 0.884 386 N CB 0.015 38.504 38.487 0.003 0.000 1.030 386 N HN 0.368 nan 8.380 nan 0.000 0.482 387 A N 3.010 125.656 122.820 -0.291 0.000 2.540 387 A HA 0.238 4.558 4.320 0.001 0.000 0.239 387 A C -2.099 175.222 177.584 -0.439 0.000 1.061 387 A CA -0.495 51.090 52.037 -0.753 0.000 0.758 387 A CB -0.351 18.129 19.000 -0.866 0.000 0.991 387 A HN -0.004 nan 8.150 nan 0.000 0.502 388 P HA 0.102 nan 4.420 nan 0.000 0.270 388 P C -0.292 176.947 177.300 -0.102 0.000 1.223 388 P CA -0.142 62.864 63.100 -0.158 0.000 0.785 388 P CB 0.261 31.928 31.700 -0.055 0.000 0.923 389 K N 0.822 121.193 120.400 -0.049 0.000 3.012 389 K HA -0.229 4.091 4.320 0.001 0.000 0.259 389 K C 0.972 177.548 176.600 -0.040 0.000 0.989 389 K CA 1.188 57.458 56.287 -0.030 0.000 0.728 389 K CB -2.852 29.643 32.500 -0.009 0.000 1.260 389 K HN 1.058 nan 8.250 nan 0.000 0.480 390 G N 1.087 109.855 108.800 -0.053 0.000 2.337 390 G HA2 -0.363 3.597 3.960 0.001 0.000 0.290 390 G HA3 -0.363 3.597 3.960 0.001 0.000 0.290 390 G C 0.877 175.743 174.900 -0.056 0.000 1.003 390 G CA 0.425 45.496 45.100 -0.048 0.000 0.825 390 G HN 0.540 nan 8.290 nan 0.000 0.509 391 I N -1.004 119.521 120.570 -0.075 0.000 2.423 391 I HA -0.102 4.069 4.170 0.001 0.000 0.254 391 I C 1.960 178.023 176.117 -0.090 0.000 1.151 391 I CA 1.762 63.020 61.300 -0.069 0.000 1.421 391 I CB 0.056 38.027 38.000 -0.049 0.000 1.079 391 I HN 0.427 nan 8.210 nan 0.000 0.431 392 L N 0.027 121.188 121.223 -0.104 0.000 2.858 392 L HA 0.200 4.540 4.340 0.001 0.000 0.251 392 L C 0.682 177.508 176.870 -0.073 0.000 1.149 392 L CA -0.207 54.543 54.840 -0.149 0.000 0.955 392 L CB -0.012 41.918 42.059 -0.215 0.000 1.289 392 L HN -0.104 nan 8.230 nan 0.000 0.542 393 R N 2.383 122.881 120.500 -0.004 0.000 4.164 393 R HA 0.155 4.496 4.340 0.001 0.000 0.195 393 R C 0.172 176.491 176.300 0.032 0.000 1.712 393 R CA 0.077 56.229 56.100 0.086 0.000 1.457 393 R CB -0.509 29.831 30.300 0.066 0.000 1.387 393 R HN 0.219 nan 8.270 nan 0.000 0.785 394 T N -3.307 111.236 114.554 -0.019 0.000 2.942 394 T HA 0.432 4.782 4.350 0.001 0.000 0.289 394 T C -2.140 172.502 174.700 -0.097 0.000 1.044 394 T CA -2.125 59.921 62.100 -0.091 0.000 1.023 394 T CB 2.665 71.453 68.868 -0.134 0.000 1.123 394 T HN -0.116 nan 8.240 nan 0.000 0.512 395 P HA 0.034 nan 4.420 nan 0.000 0.219 395 P C 0.412 177.656 177.300 -0.094 0.000 1.150 395 P CA 0.890 63.779 63.100 -0.353 0.000 0.814 395 P CB -0.032 31.164 31.700 -0.840 0.000 0.787 396 D N -1.733 118.590 120.400 -0.130 0.000 2.149 396 D HA -0.096 4.544 4.640 0.001 0.000 0.201 396 D C 1.730 177.960 176.300 -0.117 0.000 0.972 396 D CA 1.196 55.134 54.000 -0.104 0.000 0.835 396 D CB -1.179 39.542 40.800 -0.131 0.000 0.966 396 D HN 0.067 nan 8.370 nan 0.000 0.476 397 T N 0.345 114.809 114.554 -0.151 0.000 2.881 397 T HA -0.029 4.322 4.350 0.001 0.000 0.270 397 T C 1.913 176.560 174.700 -0.090 0.000 1.068 397 T CA 0.527 62.510 62.100 -0.195 0.000 1.131 397 T CB -0.121 68.587 68.868 -0.267 0.000 0.871 397 T HN 0.174 nan 8.240 nan 0.000 0.479 398 I N 0.450 121.017 120.570 -0.006 0.000 2.333 398 I HA -0.082 4.088 4.170 0.001 0.000 0.246 398 I C 2.617 178.796 176.117 0.102 0.000 1.106 398 I CA 1.047 62.388 61.300 0.069 0.000 1.411 398 I CB -0.193 37.993 38.000 0.310 0.000 1.082 398 I HN 0.109 nan 8.210 nan 0.000 0.420 399 R N 0.121 120.674 120.500 0.088 0.000 2.120 399 R HA -0.111 4.229 4.340 0.001 0.000 0.234 399 R C 2.408 178.721 176.300 0.021 0.000 1.123 399 R CA 0.866 57.005 56.100 0.065 0.000 0.975 399 R CB -0.206 30.119 30.300 0.041 0.000 0.866 399 R HN 0.212 nan 8.270 nan 0.000 0.446 400 R N -0.063 120.417 120.500 -0.032 0.000 2.070 400 R HA -0.067 4.273 4.340 0.001 0.000 0.232 400 R C 2.054 178.367 176.300 0.021 0.000 1.138 400 R CA 1.605 57.644 56.100 -0.100 0.000 0.936 400 R CB -0.583 29.525 30.300 -0.320 0.000 0.839 400 R HN 0.237 nan 8.270 nan 0.000 0.429 401 F N 0.946 120.936 119.950 0.067 0.000 2.293 401 F HA -0.144 4.384 4.527 0.000 0.000 0.300 401 F C 2.695 178.445 175.800 -0.083 0.000 1.086 401 F CA 1.052 59.035 58.000 -0.029 0.000 1.375 401 F CB -0.063 38.839 39.000 -0.163 0.000 1.045 401 F HN 0.166 nan 8.300 nan 0.000 0.516 402 Q N -0.017 119.860 119.800 0.128 0.000 2.297 402 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 402 Q C 2.137 178.165 176.000 0.046 0.000 0.962 402 Q CA 1.416 57.271 55.803 0.086 0.000 0.879 402 Q CB -0.022 28.775 28.738 0.098 0.000 0.947 402 Q HN 0.352 nan 8.270 nan 0.000 0.462 403 S N -1.150 114.566 115.700 0.028 0.000 2.528 403 S HA 0.034 4.504 4.470 0.001 0.000 0.219 403 S C 0.522 175.111 174.600 -0.019 0.000 0.985 403 S CA 0.008 58.214 58.200 0.010 0.000 0.914 403 S CB 0.451 63.660 63.200 0.015 0.000 0.776 403 S HN 0.203 nan 8.310 nan 0.000 0.526 404 V N 3.061 122.927 119.914 -0.079 0.000 2.383 404 V HA 0.576 4.696 4.120 0.001 0.000 0.275 404 V C -2.814 173.222 176.094 -0.096 0.000 1.036 404 V CA -2.434 59.781 62.300 -0.141 0.000 0.889 404 V CB 0.648 32.224 31.823 -0.412 0.000 0.985 404 V HN 0.141 nan 8.190 nan 0.000 0.459 405 P HA 0.245 nan 4.420 nan 0.000 0.266 405 P C -0.519 176.780 177.300 -0.002 0.000 1.195 405 P CA 0.035 63.129 63.100 -0.010 0.000 0.768 405 P CB 0.603 32.306 31.700 0.005 0.000 0.838 406 A N 2.964 125.792 122.820 0.013 0.000 2.671 406 A HA 0.096 4.416 4.320 0.001 0.000 0.306 406 A C 0.568 178.170 177.584 0.029 0.000 1.473 406 A CA -0.330 51.723 52.037 0.026 0.000 1.155 406 A CB -0.664 18.356 19.000 0.034 0.000 1.123 406 A HN 0.546 nan 8.150 nan 0.000 0.545 407 Q N 2.386 122.206 119.800 0.034 0.000 2.428 407 Q HA 0.106 4.446 4.340 0.001 0.000 0.276 407 Q C -2.121 173.896 176.000 0.029 0.000 1.059 407 Q CA -1.052 54.770 55.803 0.030 0.000 0.923 407 Q CB 0.362 29.121 28.738 0.034 0.000 1.283 407 Q HN 0.439 nan 8.270 nan 0.000 0.447 408 P HA 0.115 nan 4.420 nan 0.000 0.262 408 P C -0.080 177.233 177.300 0.022 0.000 1.199 408 P CA 0.722 63.835 63.100 0.022 0.000 0.763 408 P CB 0.531 32.242 31.700 0.018 0.000 0.790 409 G N 2.054 110.868 108.800 0.024 0.000 1.672 409 G HA2 -0.134 3.827 3.960 0.001 0.000 0.110 409 G HA3 -0.134 3.827 3.960 0.001 0.000 0.110 409 G C 0.093 175.010 174.900 0.028 0.000 1.946 409 G CA -0.488 44.626 45.100 0.023 0.000 1.302 409 G HN 0.505 nan 8.290 nan 0.000 0.416 410 Q N 0.814 120.633 119.800 0.032 0.000 2.837 410 Q HA 0.441 4.782 4.340 0.001 0.000 0.187 410 Q C 0.713 176.740 176.000 0.045 0.000 1.175 410 Q CA 1.030 56.855 55.803 0.038 0.000 1.271 410 Q CB -0.031 28.732 28.738 0.043 0.000 1.349 410 Q HN 0.710 nan 8.270 nan 0.000 0.694 411 T N -2.334 112.251 114.554 0.053 0.000 2.895 411 T HA 0.347 4.697 4.350 0.001 0.000 0.283 411 T C 0.037 174.777 174.700 0.067 0.000 1.014 411 T CA -0.776 61.360 62.100 0.060 0.000 1.037 411 T CB 1.579 70.484 68.868 0.062 0.000 1.006 411 T HN 0.581 nan 8.240 nan 0.000 0.468 412 S N 2.803 118.543 115.700 0.066 0.000 2.558 412 S HA 0.113 4.584 4.470 0.001 0.000 0.291 412 S C -1.496 173.139 174.600 0.057 0.000 1.306 412 S CA -0.715 57.521 58.200 0.059 0.000 1.056 412 S CB 0.066 63.305 63.200 0.066 0.000 0.836 412 S HN 0.602 nan 8.310 nan 0.000 0.504 413 P HA -0.048 nan 4.420 nan 0.000 0.219 413 P C 1.396 178.683 177.300 -0.022 0.000 1.146 413 P CA 0.423 63.581 63.100 0.097 0.000 0.808 413 P CB 0.034 31.727 31.700 -0.011 0.000 0.779 414 L N -1.197 120.027 121.223 0.003 0.000 2.068 414 L HA -0.045 4.296 4.340 0.001 0.000 0.204 414 L C 2.041 178.844 176.870 -0.111 0.000 1.076 414 L CA 1.666 56.435 54.840 -0.118 0.000 0.753 414 L CB -1.267 40.790 42.059 -0.002 0.000 0.910 414 L HN -0.162 nan 8.230 nan 0.000 0.439 415 L N -0.295 120.973 121.223 0.075 0.000 2.131 415 L HA -0.202 4.139 4.340 0.001 0.000 0.210 415 L C 2.569 179.492 176.870 0.088 0.000 1.092 415 L CA 1.544 56.488 54.840 0.173 0.000 0.759 415 L CB -1.429 40.726 42.059 0.159 0.000 0.903 415 L HN 0.501 nan 8.230 nan 0.000 0.435 416 Q N -1.454 118.356 119.800 0.016 0.000 2.002 416 Q HA -0.279 4.061 4.340 0.001 0.000 0.204 416 Q C 2.181 178.137 176.000 -0.075 0.000 0.988 416 Q CA 2.108 57.905 55.803 -0.010 0.000 0.843 416 Q CB -0.445 28.292 28.738 -0.001 0.000 0.908 416 Q HN 0.462 nan 8.270 nan 0.000 0.420 417 Y N 0.579 120.644 120.300 -0.391 0.000 2.097 417 Y HA -0.261 4.290 4.550 0.000 0.000 0.282 417 Y C 1.823 177.569 175.900 -0.257 0.000 1.152 417 Y CA 1.686 59.479 58.100 -0.512 0.000 1.136 417 Y CB -0.749 37.086 38.460 -1.042 0.000 0.975 417 Y HN 0.055 nan 8.280 nan 0.000 0.498 418 F N 0.048 119.838 119.950 -0.267 0.000 2.307 418 F HA -0.152 4.375 4.527 0.000 0.000 0.301 418 F C 2.487 178.137 175.800 -0.250 0.000 1.076 418 F CA 0.482 58.293 58.000 -0.316 0.000 1.383 418 F CB -0.548 38.344 39.000 -0.180 0.000 1.055 418 F HN 0.243 nan 8.300 nan 0.000 0.526 419 G N 0.631 109.438 108.800 0.012 0.000 2.404 419 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 419 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 419 G C 1.621 176.493 174.900 -0.046 0.000 1.189 419 G CA 0.666 45.772 45.100 0.009 0.000 0.789 419 G HN 0.298 nan 8.290 nan 0.000 0.533 420 I N 0.597 121.111 120.570 -0.093 0.000 2.194 420 I HA -0.189 3.981 4.170 0.001 0.000 0.246 420 I C 2.764 178.802 176.117 -0.132 0.000 1.093 420 I CA 0.824 62.065 61.300 -0.099 0.000 1.355 420 I CB -0.252 37.683 38.000 -0.109 0.000 1.046 420 I HN 0.145 nan 8.210 nan 0.000 0.413 421 L N 0.094 121.181 121.223 -0.227 0.000 1.994 421 L HA -0.232 4.108 4.340 0.001 0.000 0.208 421 L C 2.577 179.370 176.870 -0.128 0.000 1.071 421 L CA 1.437 56.154 54.840 -0.205 0.000 0.745 421 L CB -0.643 41.250 42.059 -0.277 0.000 0.892 421 L HN 0.263 nan 8.230 nan 0.000 0.431 422 L N -0.308 120.841 121.223 -0.123 0.000 2.189 422 L HA -0.256 4.084 4.340 0.001 0.000 0.214 422 L C 2.168 179.010 176.870 -0.047 0.000 1.097 422 L CA 1.004 55.782 54.840 -0.104 0.000 0.764 422 L CB -0.489 41.505 42.059 -0.108 0.000 0.900 422 L HN 0.349 nan 8.230 nan 0.000 0.436 423 D N -0.940 119.437 120.400 -0.039 0.000 2.146 423 D HA -0.178 4.462 4.640 0.001 0.000 0.209 423 D C 2.017 178.301 176.300 -0.026 0.000 0.973 423 D CA 0.805 54.795 54.000 -0.018 0.000 0.860 423 D CB -0.193 40.599 40.800 -0.013 0.000 1.015 423 D HN 0.195 nan 8.370 nan 0.000 0.465 424 Q N 0.298 120.075 119.800 -0.040 0.000 2.082 424 Q HA -0.153 4.187 4.340 0.001 0.000 0.211 424 Q C 1.063 177.042 176.000 -0.035 0.000 1.002 424 Q CA 2.455 58.236 55.803 -0.038 0.000 0.868 424 Q CB -0.120 28.586 28.738 -0.054 0.000 0.931 424 Q HN 0.359 nan 8.270 nan 0.000 0.414 425 G N -2.301 106.472 108.800 -0.046 0.000 2.667 425 G HA2 0.086 4.046 3.960 0.001 0.000 0.081 425 G HA3 0.086 4.046 3.960 0.001 0.000 0.081 425 G C -1.390 173.479 174.900 -0.050 0.000 1.105 425 G CA -0.527 44.549 45.100 -0.039 0.000 1.326 425 G HN 0.129 nan 8.290 nan 0.000 0.603 426 Q N 0.182 119.953 119.800 -0.049 0.000 2.309 426 Q HA 0.635 4.976 4.340 0.001 0.000 0.264 426 Q C -1.210 174.750 176.000 -0.066 0.000 1.008 426 Q CA -0.674 55.095 55.803 -0.056 0.000 0.853 426 Q CB 2.312 31.028 28.738 -0.036 0.000 1.314 426 Q HN 0.275 nan 8.270 nan 0.000 0.448 427 L N 2.713 123.879 121.223 -0.094 0.000 2.379 427 L HA 0.240 4.581 4.340 0.001 0.000 0.269 427 L C 0.778 177.620 176.870 -0.048 0.000 1.084 427 L CA -0.155 54.634 54.840 -0.086 0.000 0.802 427 L CB 0.639 42.598 42.059 -0.167 0.000 1.175 427 L HN 0.655 nan 8.230 nan 0.000 0.448 428 N N 1.670 120.369 118.700 -0.002 0.000 2.200 428 N HA 0.009 4.749 4.740 0.001 0.000 0.260 428 N C 0.704 176.227 175.510 0.020 0.000 1.279 428 N CA 0.042 53.106 53.050 0.023 0.000 0.929 428 N CB 0.102 38.627 38.487 0.065 0.000 1.007 428 N HN 0.374 nan 8.380 nan 0.000 0.439 429 K N -1.645 118.790 120.400 0.058 0.000 2.190 429 K HA 0.108 4.428 4.320 0.001 0.000 0.202 429 K C 2.154 178.801 176.600 0.078 0.000 1.045 429 K CA 0.134 56.453 56.287 0.053 0.000 0.976 429 K CB -0.426 32.114 32.500 0.067 0.000 0.849 429 K HN 0.381 nan 8.250 nan 0.000 0.468 430 Y N 1.758 122.063 120.300 0.009 0.000 2.200 430 Y HA -0.168 4.382 4.550 0.001 0.000 0.290 430 Y C 1.690 177.609 175.900 0.033 0.000 1.137 430 Y CA 1.748 59.864 58.100 0.027 0.000 1.163 430 Y CB 0.255 38.744 38.460 0.047 0.000 0.988 430 Y HN 0.123 nan 8.280 nan 0.000 0.518 431 E N -0.875 119.444 120.200 0.198 0.000 2.107 431 E HA -0.151 4.199 4.350 0.001 0.000 0.191 431 E C 2.293 178.769 176.600 -0.206 0.000 0.982 431 E CA 1.275 57.746 56.400 0.120 0.000 0.809 431 E CB -0.080 29.732 29.700 0.187 0.000 0.756 431 E HN 0.350 nan 8.360 nan 0.000 0.459 432 S N 0.797 116.391 115.700 -0.177 0.000 2.383 432 S HA -0.122 4.349 4.470 0.001 0.000 0.227 432 S C 1.781 176.228 174.600 -0.255 0.000 1.026 432 S CA 0.531 58.574 58.200 -0.261 0.000 0.981 432 S CB -0.112 62.993 63.200 -0.159 0.000 0.818 432 S HN 0.104 nan 8.310 nan 0.000 0.472 433 L N 2.067 123.173 121.223 -0.196 0.000 2.017 433 L HA -0.012 4.329 4.340 0.001 0.000 0.208 433 L C 2.198 178.931 176.870 -0.230 0.000 1.073 433 L CA 1.758 56.485 54.840 -0.189 0.000 0.745 433 L CB -0.894 41.054 42.059 -0.185 0.000 0.894 433 L HN 0.113 nan 8.230 nan 0.000 0.432 434 E N -0.826 119.199 120.200 -0.292 0.000 2.204 434 E HA -0.160 4.190 4.350 0.001 0.000 0.194 434 E C 2.223 178.682 176.600 -0.235 0.000 0.989 434 E CA 0.570 56.851 56.400 -0.199 0.000 0.824 434 E CB -0.274 29.396 29.700 -0.050 0.000 0.756 434 E HN 0.409 nan 8.360 nan 0.000 0.477 435 L N -0.321 120.572 121.223 -0.551 0.000 2.095 435 L HA -0.100 4.240 4.340 0.001 0.000 0.204 435 L C 1.920 178.593 176.870 -0.329 0.000 1.080 435 L CA 1.053 55.435 54.840 -0.764 0.000 0.759 435 L CB -0.151 41.227 42.059 -1.136 0.000 0.914 435 L HN 0.178 nan 8.230 nan 0.000 0.439 436 C N -0.652 118.510 119.300 -0.230 0.000 2.492 436 C HA -0.046 4.414 4.460 0.001 0.000 0.279 436 C C 2.739 177.724 174.990 -0.008 0.000 1.335 436 C CA 0.231 59.222 59.018 -0.044 0.000 1.734 436 C CB -0.630 27.085 27.740 -0.042 0.000 2.027 436 C HN 0.521 nan 8.230 nan 0.000 0.496 437 R N 1.450 121.922 120.500 -0.047 0.000 2.168 437 R HA -0.213 4.127 4.340 0.001 0.000 0.242 437 R C -0.545 175.760 176.300 0.008 0.000 1.123 437 R CA 2.802 58.888 56.100 -0.023 0.000 0.928 437 R CB -1.405 28.871 30.300 -0.040 0.000 0.873 437 R HN 0.402 nan 8.270 nan 0.000 0.434 438 P HA -0.131 nan 4.420 nan 0.000 0.210 438 P C 1.583 178.913 177.300 0.050 0.000 1.191 438 P CA 1.408 64.534 63.100 0.042 0.000 0.917 438 P CB -0.286 31.452 31.700 0.062 0.000 0.778 439 V N 0.573 120.535 119.914 0.080 0.000 2.311 439 V HA -0.271 3.850 4.120 0.001 0.000 0.256 439 V C 2.874 178.995 176.094 0.045 0.000 1.077 439 V CA 1.972 64.324 62.300 0.088 0.000 1.067 439 V CB -1.447 30.492 31.823 0.194 0.000 0.659 439 V HN 0.036 nan 8.190 nan 0.000 0.451 440 L N -0.533 120.715 121.223 0.043 0.000 2.083 440 L HA -0.195 4.146 4.340 0.001 0.000 0.209 440 L C 2.746 179.624 176.870 0.013 0.000 1.083 440 L CA 1.369 56.221 54.840 0.021 0.000 0.752 440 L CB -0.649 41.420 42.059 0.015 0.000 0.899 440 L HN 0.409 nan 8.230 nan 0.000 0.433 441 Q N 0.025 119.835 119.800 0.017 0.000 2.083 441 Q HA -0.206 4.135 4.340 0.001 0.000 0.198 441 Q C 1.812 177.819 176.000 0.012 0.000 0.969 441 Q CA 1.147 56.959 55.803 0.014 0.000 0.838 441 Q CB -0.407 28.342 28.738 0.017 0.000 0.900 441 Q HN 0.533 nan 8.270 nan 0.000 0.436 442 Q N 0.302 120.111 119.800 0.015 0.000 2.476 442 Q HA 0.085 4.425 4.340 0.001 0.000 0.215 442 Q C 0.713 176.711 176.000 -0.003 0.000 0.966 442 Q CA 0.553 56.361 55.803 0.010 0.000 0.976 442 Q CB -0.554 28.194 28.738 0.016 0.000 0.988 442 Q HN 0.585 nan 8.270 nan 0.000 0.526 443 G N 1.232 110.029 108.800 -0.005 0.000 2.212 443 G HA2 -0.392 3.568 3.960 0.001 0.000 0.267 443 G HA3 -0.392 3.568 3.960 0.001 0.000 0.267 443 G C -0.144 174.739 174.900 -0.029 0.000 1.002 443 G CA 0.285 45.377 45.100 -0.014 0.000 0.729 443 G HN 0.417 nan 8.290 nan 0.000 0.517 444 R N 0.404 120.883 120.500 -0.035 0.000 2.893 444 R HA 0.290 4.630 4.340 0.001 0.000 0.243 444 R C 1.690 177.937 176.300 -0.087 0.000 1.481 444 R CA 0.290 56.348 56.100 -0.070 0.000 1.250 444 R CB 0.552 30.804 30.300 -0.080 0.000 1.213 444 R HN 0.419 nan 8.270 nan 0.000 0.609 445 K N 2.349 122.702 120.400 -0.078 0.000 2.005 445 K HA -0.181 4.139 4.320 0.001 0.000 0.206 445 K C 1.134 177.665 176.600 -0.116 0.000 1.044 445 K CA 1.380 57.621 56.287 -0.076 0.000 0.942 445 K CB 0.152 32.618 32.500 -0.056 0.000 0.727 445 K HN 0.282 nan 8.250 nan 0.000 0.439 446 Q N 1.073 120.800 119.800 -0.121 0.000 2.142 446 Q HA -0.217 4.124 4.340 0.001 0.000 0.213 446 Q C 2.103 177.961 176.000 -0.236 0.000 1.004 446 Q CA 2.374 58.089 55.803 -0.146 0.000 0.883 446 Q CB -0.480 28.181 28.738 -0.129 0.000 0.939 446 Q HN 0.384 nan 8.270 nan 0.000 0.413 447 L N -0.025 120.998 121.223 -0.333 0.000 2.083 447 L HA -0.120 4.221 4.340 0.001 0.000 0.209 447 L C 1.899 178.271 176.870 -0.829 0.000 1.083 447 L CA 1.715 56.165 54.840 -0.650 0.000 0.752 447 L CB -0.647 40.976 42.059 -0.727 0.000 0.899 447 L HN 0.429 nan 8.230 nan 0.000 0.433 448 L N -1.338 119.653 121.223 -0.387 0.000 2.240 448 L HA -0.015 4.325 4.340 0.001 0.000 0.211 448 L C 2.135 178.997 176.870 -0.013 0.000 1.106 448 L CA 1.359 56.187 54.840 -0.020 0.000 0.793 448 L CB -0.746 41.363 42.059 0.084 0.000 0.927 448 L HN 0.308 nan 8.230 nan 0.000 0.446 449 E N 0.053 120.192 120.200 -0.101 0.000 2.110 449 E HA -0.232 4.118 4.350 0.001 0.000 0.193 449 E C 1.948 178.512 176.600 -0.060 0.000 0.988 449 E CA 1.244 57.603 56.400 -0.068 0.000 0.804 449 E CB -0.082 29.568 29.700 -0.084 0.000 0.745 449 E HN 0.507 nan 8.360 nan 0.000 0.458 450 K N 0.196 120.517 120.400 -0.131 0.000 2.076 450 K HA -0.125 4.196 4.320 0.001 0.000 0.204 450 K C 1.764 178.378 176.600 0.023 0.000 1.051 450 K CA 0.745 56.972 56.287 -0.100 0.000 0.949 450 K CB -0.039 32.343 32.500 -0.196 0.000 0.726 450 K HN 0.152 nan 8.250 nan 0.000 0.443 451 W N 1.948 123.221 121.300 -0.045 0.000 2.342 451 W HA -0.132 4.528 4.660 0.001 0.000 0.297 451 W C 2.096 178.586 176.519 -0.049 0.000 1.213 451 W CA 0.575 57.890 57.345 -0.051 0.000 1.251 451 W CB -0.832 28.589 29.460 -0.067 0.000 1.136 451 W HN 0.100 nan 8.180 nan 0.000 0.526 452 L N 0.059 121.391 121.223 0.182 0.000 1.973 452 L HA -0.240 4.101 4.340 0.001 0.000 0.208 452 L C 2.575 179.476 176.870 0.052 0.000 1.073 452 L CA 1.591 56.481 54.840 0.084 0.000 0.746 452 L CB -0.845 41.239 42.059 0.042 0.000 0.891 452 L HN -0.140 nan 8.230 nan 0.000 0.433 453 K N 0.236 120.656 120.400 0.034 0.000 2.034 453 K HA -0.234 4.086 4.320 0.001 0.000 0.214 453 K C 1.610 178.226 176.600 0.027 0.000 1.051 453 K CA 1.937 58.235 56.287 0.018 0.000 0.931 453 K CB -0.125 32.376 32.500 0.002 0.000 0.715 453 K HN 0.357 nan 8.250 nan 0.000 0.446 454 E N 1.052 121.278 120.200 0.044 0.000 2.527 454 E HA -0.109 4.241 4.350 0.001 0.000 0.204 454 E C -0.716 175.910 176.600 0.043 0.000 1.132 454 E CA 0.442 56.870 56.400 0.046 0.000 0.905 454 E CB -0.281 29.462 29.700 0.071 0.000 0.875 454 E HN 0.289 nan 8.360 nan 0.000 0.548 455 D N 0.756 121.179 120.400 0.039 0.000 2.686 455 D HA -0.207 4.434 4.640 0.001 0.000 0.235 455 D C 0.354 176.664 176.300 0.016 0.000 1.160 455 D CA 0.882 54.897 54.000 0.024 0.000 0.645 455 D CB -0.744 40.064 40.800 0.012 0.000 1.039 455 D HN 0.403 nan 8.370 nan 0.000 0.423 456 K N -0.523 119.893 120.400 0.027 0.000 2.361 456 K HA 0.153 4.473 4.320 0.001 0.000 0.194 456 K C 0.778 177.330 176.600 -0.079 0.000 1.032 456 K CA 0.210 56.482 56.287 -0.024 0.000 1.048 456 K CB 0.873 33.358 32.500 -0.025 0.000 0.842 456 K HN 0.263 nan 8.250 nan 0.000 0.526 457 L N 1.716 122.908 121.223 -0.052 0.000 2.317 457 L HA 0.313 4.653 4.340 0.001 0.000 0.281 457 L C 0.129 176.974 176.870 -0.043 0.000 1.024 457 L CA -0.765 54.028 54.840 -0.079 0.000 0.810 457 L CB 1.719 43.736 42.059 -0.069 0.000 1.240 457 L HN 0.025 nan 8.230 nan 0.000 0.427 458 E N 2.485 122.657 120.200 -0.045 0.000 1.802 458 E HA 0.154 4.504 4.350 0.001 0.000 0.265 458 E C -0.409 176.185 176.600 -0.010 0.000 1.168 458 E CA -0.654 55.734 56.400 -0.019 0.000 1.033 458 E CB 0.287 29.981 29.700 -0.011 0.000 1.095 458 E HN 0.654 nan 8.360 nan 0.000 0.436 459 C N 2.663 121.961 119.300 -0.004 0.000 2.824 459 C HA 0.087 4.547 4.460 0.001 0.000 0.395 459 C C 0.731 175.738 174.990 0.028 0.000 1.240 459 C CA 0.306 59.327 59.018 0.005 0.000 1.892 459 C CB -0.519 27.228 27.740 0.012 0.000 2.683 459 C HN 0.863 nan 8.230 nan 0.000 0.691 460 S N -0.321 115.407 115.700 0.046 0.000 2.587 460 S HA 0.280 4.750 4.470 0.001 0.000 0.269 460 S C 0.017 174.703 174.600 0.144 0.000 1.154 460 S CA -0.543 57.703 58.200 0.076 0.000 0.824 460 S CB 1.065 64.296 63.200 0.051 0.000 1.118 460 S HN 0.790 nan 8.310 nan 0.000 0.462 461 E N 0.478 120.785 120.200 0.179 0.000 2.204 461 E HA -0.166 4.185 4.350 0.001 0.000 0.194 461 E C 1.521 178.303 176.600 0.303 0.000 0.989 461 E CA 1.288 57.867 56.400 0.298 0.000 0.824 461 E CB -0.018 29.762 29.700 0.133 0.000 0.756 461 E HN 0.781 nan 8.360 nan 0.000 0.477 462 E N 0.254 120.545 120.200 0.151 0.000 2.051 462 E HA -0.169 4.182 4.350 0.001 0.000 0.189 462 E C 2.226 178.864 176.600 0.063 0.000 0.979 462 E CA 0.511 56.970 56.400 0.098 0.000 0.803 462 E CB -0.038 29.697 29.700 0.059 0.000 0.761 462 E HN 0.161 nan 8.360 nan 0.000 0.451 463 L N 0.561 121.803 121.223 0.030 0.000 2.191 463 L HA 0.018 4.359 4.340 0.001 0.000 0.212 463 L C 1.940 178.775 176.870 -0.060 0.000 1.103 463 L CA 2.210 57.038 54.840 -0.021 0.000 0.769 463 L CB -0.652 41.386 42.059 -0.036 0.000 0.908 463 L HN 0.194 nan 8.230 nan 0.000 0.438 464 G N -1.149 107.604 108.800 -0.079 0.000 2.395 464 G HA2 -0.203 3.757 3.960 0.001 0.000 0.214 464 G HA3 -0.203 3.757 3.960 0.001 0.000 0.214 464 G C 1.220 176.045 174.900 -0.125 0.000 1.177 464 G CA 0.624 45.483 45.100 -0.401 0.000 0.794 464 G HN 0.402 nan 8.290 nan 0.000 0.532 465 D N 0.454 120.962 120.400 0.180 0.000 2.133 465 D HA -0.112 4.528 4.640 0.001 0.000 0.195 465 D C 2.447 178.788 176.300 0.070 0.000 0.997 465 D CA 0.554 54.665 54.000 0.185 0.000 0.840 465 D CB -0.306 40.581 40.800 0.144 0.000 0.947 465 D HN 0.178 nan 8.370 nan 0.000 0.452 466 L N 0.401 121.642 121.223 0.030 0.000 1.989 466 L HA -0.182 4.158 4.340 0.001 0.000 0.211 466 L C 2.514 179.385 176.870 0.001 0.000 1.071 466 L CA 1.155 56.000 54.840 0.008 0.000 0.749 466 L CB -0.435 41.618 42.059 -0.009 0.000 0.890 466 L HN -0.066 nan 8.230 nan 0.000 0.431 467 V N -0.896 119.004 119.914 -0.024 0.000 2.490 467 V HA -0.306 3.815 4.120 0.001 0.000 0.250 467 V C 2.473 178.571 176.094 0.007 0.000 1.061 467 V CA 1.645 63.929 62.300 -0.027 0.000 1.064 467 V CB -0.715 31.065 31.823 -0.072 0.000 0.670 467 V HN 0.435 nan 8.190 nan 0.000 0.461 468 K N 0.168 120.587 120.400 0.032 0.000 2.209 468 K HA -0.138 4.182 4.320 0.001 0.000 0.204 468 K C 2.201 178.836 176.600 0.059 0.000 1.048 468 K CA 1.382 57.725 56.287 0.094 0.000 0.940 468 K CB -0.132 32.451 32.500 0.138 0.000 0.729 468 K HN 0.452 nan 8.250 nan 0.000 0.451 469 S N -0.036 115.686 115.700 0.036 0.000 2.515 469 S HA -0.075 4.395 4.470 0.001 0.000 0.231 469 S C 1.557 176.170 174.600 0.023 0.000 0.987 469 S CA 1.142 59.357 58.200 0.025 0.000 0.936 469 S CB 0.219 63.430 63.200 0.018 0.000 0.766 469 S HN 0.355 nan 8.310 nan 0.000 0.528 470 V N -3.459 116.469 119.914 0.024 0.000 3.431 470 V HA 0.441 4.561 4.120 0.001 0.000 0.255 470 V C -0.146 175.961 176.094 0.022 0.000 1.403 470 V CA -0.044 62.267 62.300 0.018 0.000 1.101 470 V CB 0.451 32.279 31.823 0.009 0.000 0.891 470 V HN 0.098 nan 8.190 nan 0.000 0.446 471 D N 1.601 122.020 120.400 0.032 0.000 2.411 471 D HA 0.304 4.945 4.640 0.001 0.000 0.239 471 D C -2.296 174.054 176.300 0.084 0.000 1.307 471 D CA -0.881 53.142 54.000 0.038 0.000 0.930 471 D CB 2.471 43.277 40.800 0.009 0.000 1.395 471 D HN 0.140 nan 8.370 nan 0.000 0.536 472 P HA -0.109 nan 4.420 nan 0.000 0.219 472 P C 1.416 178.919 177.300 0.338 0.000 1.146 472 P CA 0.902 64.191 63.100 0.316 0.000 0.808 472 P CB 0.551 32.436 31.700 0.308 0.000 0.779 473 T N 0.260 114.881 114.554 0.111 0.000 2.812 473 T HA -0.013 4.338 4.350 0.001 0.000 0.264 473 T C 1.693 176.345 174.700 -0.079 0.000 1.042 473 T CA 0.531 62.610 62.100 -0.036 0.000 1.140 473 T CB -0.539 68.315 68.868 -0.024 0.000 0.870 473 T HN -0.038 nan 8.240 nan 0.000 0.445 474 L N 1.113 122.314 121.223 -0.036 0.000 2.275 474 L HA 0.081 4.421 4.340 0.001 0.000 0.215 474 L C 2.625 179.433 176.870 -0.103 0.000 1.119 474 L CA 1.137 55.940 54.840 -0.063 0.000 0.790 474 L CB -1.512 40.521 42.059 -0.044 0.000 0.919 474 L HN 0.209 nan 8.230 nan 0.000 0.443 475 A N 0.241 123.015 122.820 -0.076 0.000 1.829 475 A HA -0.245 4.075 4.320 0.001 0.000 0.216 475 A C 2.256 179.685 177.584 -0.259 0.000 1.207 475 A CA 1.684 53.602 52.037 -0.197 0.000 0.622 475 A CB -0.948 18.197 19.000 0.241 0.000 0.846 475 A HN 0.345 nan 8.150 nan 0.000 0.447 476 L N 0.084 121.217 121.223 -0.150 0.000 2.082 476 L HA -0.367 3.973 4.340 0.001 0.000 0.223 476 L C 2.895 179.723 176.870 -0.070 0.000 1.086 476 L CA 1.998 56.727 54.840 -0.184 0.000 0.793 476 L CB -0.544 41.185 42.059 -0.549 0.000 0.896 476 L HN 0.493 nan 8.230 nan 0.000 0.441 477 S N -0.884 114.743 115.700 -0.122 0.000 2.374 477 S HA -0.179 4.292 4.470 0.001 0.000 0.227 477 S C 1.833 176.400 174.600 -0.056 0.000 1.037 477 S CA 1.667 59.820 58.200 -0.079 0.000 1.024 477 S CB -0.491 62.659 63.200 -0.083 0.000 0.861 477 S HN 0.341 nan 8.310 nan 0.000 0.456 478 V N -0.084 119.760 119.914 -0.117 0.000 2.407 478 V HA -0.103 4.017 4.120 0.001 0.000 0.245 478 V C 1.889 177.984 176.094 0.002 0.000 1.041 478 V CA 1.259 63.496 62.300 -0.104 0.000 1.040 478 V CB -1.226 30.467 31.823 -0.217 0.000 0.671 478 V HN 0.489 nan 8.190 nan 0.000 0.455 479 Y N 0.372 120.703 120.300 0.052 0.000 2.145 479 Y HA -0.137 4.413 4.550 0.000 0.000 0.286 479 Y C 2.459 178.383 175.900 0.040 0.000 1.145 479 Y CA 1.061 59.202 58.100 0.068 0.000 1.148 479 Y CB -0.258 38.284 38.460 0.137 0.000 0.981 479 Y HN 0.149 nan 8.280 nan 0.000 0.507 480 L N 0.141 121.480 121.223 0.192 0.000 2.261 480 L HA -0.207 4.134 4.340 0.001 0.000 0.216 480 L C 1.834 178.745 176.870 0.069 0.000 1.114 480 L CA 1.247 56.145 54.840 0.096 0.000 0.777 480 L CB -0.317 41.766 42.059 0.041 0.000 0.910 480 L HN 0.293 nan 8.230 nan 0.000 0.440 481 R N -0.721 119.820 120.500 0.068 0.000 2.365 481 R HA 0.273 4.613 4.340 0.001 0.000 0.223 481 R C 1.692 178.027 176.300 0.059 0.000 0.899 481 R CA 0.693 56.820 56.100 0.045 0.000 1.059 481 R CB 0.097 30.411 30.300 0.024 0.000 1.086 481 R HN 0.162 nan 8.270 nan 0.000 0.522 482 A N 2.112 124.991 122.820 0.099 0.000 2.195 482 A HA -0.025 4.295 4.320 0.001 0.000 0.210 482 A C 0.674 178.310 177.584 0.087 0.000 1.165 482 A CA 0.215 52.316 52.037 0.107 0.000 0.806 482 A CB -0.157 18.951 19.000 0.181 0.000 0.847 482 A HN 0.424 nan 8.150 nan 0.000 0.482 483 N N -1.014 117.731 118.700 0.074 0.000 2.771 483 N HA -0.140 4.600 4.740 0.001 0.000 0.249 483 N C -0.099 175.438 175.510 0.045 0.000 1.069 483 N CA 0.860 53.940 53.050 0.050 0.000 0.688 483 N CB -2.170 36.339 38.487 0.037 0.000 0.928 483 N HN 1.015 nan 8.380 nan 0.000 0.551 484 V N -1.799 118.142 119.914 0.046 0.000 3.503 484 V HA 0.967 5.087 4.120 0.001 0.000 0.294 484 V C -1.843 174.245 176.094 -0.010 0.000 1.102 484 V CA -1.158 61.146 62.300 0.007 0.000 0.979 484 V CB 0.831 32.625 31.823 -0.048 0.000 1.240 484 V HN 0.255 nan 8.190 nan 0.000 0.444 485 P HA 0.575 nan 4.420 nan 0.000 0.289 485 P C 0.067 177.346 177.300 -0.036 0.000 1.293 485 P CA -0.840 62.243 63.100 -0.028 0.000 0.897 485 P CB 0.933 32.614 31.700 -0.032 0.000 1.166 486 N N 0.968 119.657 118.700 -0.018 0.000 2.069 486 N HA -0.232 4.509 4.740 0.001 0.000 0.196 486 N C 1.532 177.028 175.510 -0.024 0.000 1.024 486 N CA 1.266 54.310 53.050 -0.010 0.000 0.869 486 N CB -0.447 38.038 38.487 -0.003 0.000 1.035 486 N HN 0.425 nan 8.380 nan 0.000 0.434 487 K N 1.373 121.749 120.400 -0.041 0.000 2.127 487 K HA -0.144 4.177 4.320 0.001 0.000 0.212 487 K C 1.880 178.423 176.600 -0.096 0.000 1.050 487 K CA 0.987 57.239 56.287 -0.058 0.000 0.929 487 K CB -0.627 31.835 32.500 -0.063 0.000 0.715 487 K HN 0.079 nan 8.250 nan 0.000 0.457 488 V N 1.454 121.284 119.914 -0.139 0.000 2.490 488 V HA -0.229 3.892 4.120 0.001 0.000 0.250 488 V C 2.320 178.331 176.094 -0.139 0.000 1.061 488 V CA 1.328 63.471 62.300 -0.263 0.000 1.064 488 V CB -0.275 31.300 31.823 -0.414 0.000 0.670 488 V HN 0.222 nan 8.190 nan 0.000 0.461 489 I N -0.309 120.270 120.570 0.015 0.000 2.585 489 I HA -0.094 4.076 4.170 0.001 0.000 0.254 489 I C 2.399 178.636 176.117 0.201 0.000 1.129 489 I CA 1.002 62.432 61.300 0.217 0.000 1.455 489 I CB -1.145 36.932 38.000 0.129 0.000 1.111 489 I HN 0.386 nan 8.210 nan 0.000 0.433 490 Q N 0.027 119.870 119.800 0.072 0.000 2.364 490 Q HA -0.128 4.212 4.340 0.001 0.000 0.207 490 Q C 2.423 178.441 176.000 0.031 0.000 0.970 490 Q CA 1.078 56.912 55.803 0.051 0.000 0.888 490 Q CB -0.262 28.485 28.738 0.014 0.000 0.951 490 Q HN 0.454 nan 8.270 nan 0.000 0.469 491 C N -0.141 119.140 119.300 -0.032 0.000 2.435 491 C HA -0.068 4.392 4.460 0.001 0.000 0.279 491 C C 1.777 176.717 174.990 -0.083 0.000 1.321 491 C CA 0.331 59.277 59.018 -0.121 0.000 1.752 491 C CB -0.838 26.741 27.740 -0.267 0.000 1.959 491 C HN 0.482 nan 8.230 nan 0.000 0.500 492 F N 1.462 121.415 119.950 0.004 0.000 2.802 492 F HA 0.161 4.689 4.527 0.000 0.000 0.302 492 F C 1.619 177.428 175.800 0.014 0.000 1.211 492 F CA -0.010 58.003 58.000 0.022 0.000 1.431 492 F CB -0.495 38.529 39.000 0.040 0.000 1.114 492 F HN 0.175 nan 8.300 nan 0.000 0.567 493 A N 0.000 122.911 122.820 0.151 0.000 2.254 493 A HA 0.000 4.320 4.320 0.001 0.000 0.244 493 A CA 0.000 52.092 52.037 0.092 0.000 0.836 493 A CB 0.000 19.032 19.000 0.054 0.000 0.831 493 A HN 0.000 nan 8.150 nan 0.000 0.486