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 3ab4_1_C DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXTPGRV REALDEGKIC IVAGXXXXXX XXXXXXXXXX DATA SEQUENCE XGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVX DATA SEQUENCE XXXDGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLGG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.590 177.584 0.010 0.000 1.274 2 A CA 0.000 52.043 52.037 0.009 0.000 0.836 2 A CB 0.000 19.006 19.000 0.010 0.000 0.831 3 L N 1.203 122.430 121.223 0.007 0.000 2.296 3 L HA 0.772 5.112 4.340 -0.000 0.000 0.286 3 L C -0.915 175.961 176.870 0.010 0.000 1.023 3 L CA -0.851 53.993 54.840 0.006 0.000 0.812 3 L CB 1.330 43.387 42.059 -0.004 0.000 1.223 3 L HN 1.082 nan 8.230 nan 0.000 0.421 4 V N 6.074 126.000 119.914 0.019 0.000 2.638 4 V HA 0.583 4.703 4.120 -0.000 0.000 0.306 4 V C -0.998 175.117 176.094 0.035 0.000 1.052 4 V CA -0.346 61.971 62.300 0.027 0.000 0.885 4 V CB 2.215 34.063 31.823 0.041 0.000 0.999 4 V HN 0.492 nan 8.190 nan 0.000 0.424 5 V N 6.530 126.460 119.914 0.027 0.000 2.612 5 V HA 0.597 4.717 4.120 -0.000 0.000 0.301 5 V C -0.174 175.949 176.094 0.048 0.000 1.046 5 V CA -0.454 61.865 62.300 0.033 0.000 0.946 5 V CB 1.669 33.497 31.823 0.008 0.000 1.003 5 V HN 1.003 nan 8.190 nan 0.000 0.459 6 Q N 2.958 122.808 119.800 0.083 0.000 2.323 6 Q HA 0.489 4.829 4.340 -0.000 0.000 0.271 6 Q C -0.998 175.033 176.000 0.052 0.000 1.048 6 Q CA -0.785 55.068 55.803 0.083 0.000 0.792 6 Q CB 3.021 31.885 28.738 0.211 0.000 1.280 6 Q HN 0.526 nan 8.270 nan 0.000 0.441 7 K N 2.616 122.986 120.400 -0.051 0.000 2.244 7 K HA 0.387 4.707 4.320 -0.000 0.000 0.260 7 K C -1.740 174.794 176.600 -0.111 0.000 0.951 7 K CA -0.480 55.807 56.287 -0.000 0.000 0.826 7 K CB 0.965 33.471 32.500 0.010 0.000 1.108 7 K HN 0.609 nan 8.250 nan 0.000 0.433 8 Y N 0.908 121.300 120.300 0.153 0.000 2.328 8 Y HA 0.343 4.892 4.550 -0.000 0.000 0.336 8 Y C 0.954 176.915 175.900 0.102 0.000 0.960 8 Y CA -0.631 57.556 58.100 0.145 0.000 1.134 8 Y CB 1.988 40.496 38.460 0.080 0.000 1.166 8 Y HN 0.756 nan 8.280 nan 0.000 0.464 9 G N 0.795 109.727 108.800 0.220 0.000 2.621 9 G HA2 0.327 4.287 3.960 -0.000 0.000 0.271 9 G HA3 0.327 4.287 3.960 -0.000 0.000 0.271 9 G C 1.058 176.046 174.900 0.147 0.000 1.236 9 G CA -0.169 45.022 45.100 0.152 0.000 0.958 9 G HN 0.853 nan 8.290 nan 0.000 0.512 10 G N -0.461 108.402 108.800 0.105 0.000 2.408 10 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 10 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 10 G C 2.201 177.153 174.900 0.086 0.000 1.150 10 G CA 1.918 47.070 45.100 0.086 0.000 0.776 10 G HN 0.944 nan 8.290 nan 0.000 0.542 11 S N 1.088 116.843 115.700 0.091 0.000 2.359 11 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 11 S C 2.386 177.059 174.600 0.121 0.000 1.039 11 S CA 1.959 60.215 58.200 0.092 0.000 1.042 11 S CB -0.806 62.447 63.200 0.090 0.000 0.915 11 S HN 0.216 nan 8.310 nan 0.000 0.439 12 S N 1.773 117.571 115.700 0.164 0.000 2.440 12 S HA 0.136 4.606 4.470 -0.000 0.000 0.238 12 S C 1.223 175.897 174.600 0.123 0.000 1.010 12 S CA 1.086 59.406 58.200 0.200 0.000 0.972 12 S CB -0.443 62.938 63.200 0.302 0.000 0.774 12 S HN 0.501 nan 8.310 nan 0.000 0.501 13 L N 0.568 121.847 121.223 0.093 0.000 3.017 13 L HA 0.294 4.634 4.340 -0.000 0.000 0.255 13 L C 1.510 178.405 176.870 0.042 0.000 1.247 13 L CA -0.050 54.816 54.840 0.042 0.000 1.038 13 L CB 0.012 42.092 42.059 0.036 0.000 1.380 13 L HN 0.133 nan 8.230 nan 0.000 0.548 14 E N 0.849 121.082 120.200 0.056 0.000 2.038 14 E HA -0.132 4.217 4.350 -0.000 0.000 0.195 14 E C 0.706 177.325 176.600 0.032 0.000 1.000 14 E CA 1.539 57.965 56.400 0.044 0.000 0.803 14 E CB 0.232 29.960 29.700 0.046 0.000 0.750 14 E HN 0.532 nan 8.360 nan 0.000 0.448 15 S N -2.058 113.661 115.700 0.033 0.000 2.661 15 S HA 0.623 5.092 4.470 -0.000 0.000 0.285 15 S C 0.683 175.293 174.600 0.016 0.000 1.138 15 S CA -0.479 57.734 58.200 0.023 0.000 0.855 15 S CB 1.616 64.832 63.200 0.025 0.000 1.136 15 S HN 0.094 nan 8.310 nan 0.000 0.484 16 A N 0.677 123.502 122.820 0.008 0.000 1.927 16 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 16 A C 1.984 179.570 177.584 0.002 0.000 1.185 16 A CA 2.072 54.109 52.037 -0.001 0.000 0.639 16 A CB -1.187 17.812 19.000 -0.002 0.000 0.820 16 A HN 0.950 nan 8.150 nan 0.000 0.451 17 E N -0.544 119.667 120.200 0.019 0.000 2.058 17 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 17 E C 2.196 178.830 176.600 0.058 0.000 0.997 17 E CA 1.144 57.566 56.400 0.038 0.000 0.801 17 E CB -0.111 29.621 29.700 0.054 0.000 0.746 17 E HN 0.473 nan 8.360 nan 0.000 0.450 18 R N 0.183 120.730 120.500 0.079 0.000 2.115 18 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 18 R C 2.434 178.726 176.300 -0.013 0.000 1.111 18 R CA 0.608 56.772 56.100 0.106 0.000 0.976 18 R CB -0.542 29.842 30.300 0.140 0.000 0.870 18 R HN 0.364 nan 8.270 nan 0.000 0.445 19 I N 0.572 121.122 120.570 -0.032 0.000 2.493 19 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 19 I C 2.343 178.391 176.117 -0.115 0.000 1.160 19 I CA 1.185 62.433 61.300 -0.087 0.000 1.445 19 I CB -0.121 37.843 38.000 -0.059 0.000 1.086 19 I HN 0.124 nan 8.210 nan 0.000 0.433 20 R N 0.388 120.839 120.500 -0.082 0.000 2.075 20 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 20 R C 2.231 178.449 176.300 -0.136 0.000 1.114 20 R CA 1.144 57.190 56.100 -0.091 0.000 0.972 20 R CB -0.526 29.743 30.300 -0.052 0.000 0.869 20 R HN 0.412 nan 8.270 nan 0.000 0.437 21 N N 1.110 119.717 118.700 -0.156 0.000 2.060 21 N HA -0.185 4.554 4.740 -0.000 0.000 0.195 21 N C 1.665 176.984 175.510 -0.318 0.000 1.028 21 N CA 1.778 54.654 53.050 -0.289 0.000 0.861 21 N CB 0.028 38.215 38.487 -0.499 0.000 1.029 21 N HN 0.019 nan 8.380 nan 0.000 0.428 22 V N 1.572 121.295 119.914 -0.317 0.000 2.307 22 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 22 V C 2.695 178.550 176.094 -0.399 0.000 1.045 22 V CA 1.842 63.864 62.300 -0.462 0.000 1.024 22 V CB -1.010 30.416 31.823 -0.662 0.000 0.651 22 V HN 0.497 nan 8.190 nan 0.000 0.449 23 A N -0.329 122.322 122.820 -0.281 0.000 1.972 23 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 23 A C 2.270 179.765 177.584 -0.149 0.000 1.169 23 A CA 1.950 53.868 52.037 -0.197 0.000 0.635 23 A CB -0.492 18.424 19.000 -0.139 0.000 0.810 23 A HN 0.695 nan 8.150 nan 0.000 0.446 24 E N -0.122 119.988 120.200 -0.150 0.000 2.077 24 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 24 E C 2.178 178.713 176.600 -0.107 0.000 0.989 24 E CA 1.025 57.356 56.400 -0.114 0.000 0.800 24 E CB -0.167 29.463 29.700 -0.117 0.000 0.746 24 E HN 0.603 nan 8.360 nan 0.000 0.452 25 R N 0.309 120.721 120.500 -0.147 0.000 2.075 25 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 25 R C 2.544 178.806 176.300 -0.062 0.000 1.126 25 R CA 1.292 57.323 56.100 -0.115 0.000 0.963 25 R CB -0.257 29.933 30.300 -0.183 0.000 0.858 25 R HN 0.331 nan 8.270 nan 0.000 0.435 26 I N 0.551 121.071 120.570 -0.082 0.000 2.127 26 I HA -0.253 3.917 4.170 -0.000 0.000 0.241 26 I C 2.405 178.516 176.117 -0.010 0.000 1.075 26 I CA 1.564 62.850 61.300 -0.023 0.000 1.334 26 I CB -0.800 37.163 38.000 -0.061 0.000 1.040 26 I HN 0.000 nan 8.210 nan 0.000 0.405 27 V N 1.235 121.129 119.914 -0.033 0.000 2.427 27 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 27 V C 2.810 178.897 176.094 -0.011 0.000 1.051 27 V CA 1.549 63.837 62.300 -0.020 0.000 1.048 27 V CB -0.900 30.905 31.823 -0.030 0.000 0.666 27 V HN 0.459 nan 8.190 nan 0.000 0.456 28 A N 0.118 122.928 122.820 -0.016 0.000 1.908 28 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 28 A C 2.400 179.990 177.584 0.010 0.000 1.181 28 A CA 2.610 54.644 52.037 -0.005 0.000 0.627 28 A CB -0.922 18.072 19.000 -0.010 0.000 0.818 28 A HN 0.520 nan 8.150 nan 0.000 0.445 29 T N -0.379 114.187 114.554 0.020 0.000 2.777 29 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 29 T C 1.998 176.716 174.700 0.030 0.000 1.040 29 T CA 1.673 63.795 62.100 0.037 0.000 1.141 29 T CB -0.170 68.736 68.868 0.063 0.000 0.868 29 T HN 0.518 nan 8.240 nan 0.000 0.444 30 K N 1.648 122.062 120.400 0.024 0.000 2.032 30 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 30 K C 2.082 178.690 176.600 0.014 0.000 1.048 30 K CA 1.550 57.849 56.287 0.019 0.000 0.927 30 K CB -0.186 32.323 32.500 0.015 0.000 0.712 30 K HN 0.181 nan 8.250 nan 0.000 0.441 31 K N -0.562 119.844 120.400 0.009 0.000 2.283 31 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 31 K C 1.666 178.271 176.600 0.008 0.000 1.048 31 K CA 0.915 57.206 56.287 0.007 0.000 0.948 31 K CB -0.022 32.479 32.500 0.002 0.000 0.742 31 K HN 0.253 nan 8.250 nan 0.000 0.458 32 A N 0.450 123.277 122.820 0.012 0.000 2.235 32 A HA 0.153 4.473 4.320 -0.000 0.000 0.208 32 A C 1.087 178.678 177.584 0.012 0.000 1.172 32 A CA 0.803 52.847 52.037 0.013 0.000 0.786 32 A CB -0.325 18.685 19.000 0.017 0.000 0.804 32 A HN 0.361 nan 8.150 nan 0.000 0.479 33 G N -0.545 108.262 108.800 0.013 0.000 2.270 33 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.224 33 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.224 33 G C -0.526 174.382 174.900 0.013 0.000 1.079 33 G CA -0.002 45.105 45.100 0.012 0.000 0.807 33 G HN 0.605 nan 8.290 nan 0.000 0.492 34 N N 0.483 119.193 118.700 0.017 0.000 2.319 34 N HA 0.536 5.276 4.740 -0.000 0.000 0.305 34 N C -0.814 174.708 175.510 0.019 0.000 1.103 34 N CA -0.943 52.118 53.050 0.019 0.000 0.815 34 N CB 1.269 39.772 38.487 0.025 0.000 1.288 34 N HN 0.078 nan 8.380 nan 0.000 0.493 35 D N 0.730 121.140 120.400 0.016 0.000 2.382 35 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 35 D C -0.387 175.927 176.300 0.023 0.000 1.120 35 D CA 0.046 54.056 54.000 0.016 0.000 0.890 35 D CB 1.064 41.869 40.800 0.008 0.000 1.201 35 D HN 0.236 nan 8.370 nan 0.000 0.433 36 V N -0.456 119.475 119.914 0.029 0.000 2.623 36 V HA 0.601 4.721 4.120 -0.000 0.000 0.304 36 V C -0.517 175.603 176.094 0.044 0.000 1.054 36 V CA -1.016 61.310 62.300 0.042 0.000 0.882 36 V CB 1.739 33.593 31.823 0.052 0.000 1.002 36 V HN 0.266 nan 8.190 nan 0.000 0.424 37 V N 5.240 125.181 119.914 0.045 0.000 2.531 37 V HA 0.866 4.986 4.120 -0.000 0.000 0.301 37 V C -0.932 175.208 176.094 0.076 0.000 1.034 37 V CA -0.352 61.972 62.300 0.040 0.000 0.865 37 V CB 1.857 33.672 31.823 -0.014 0.000 0.995 37 V HN 1.383 nan 8.190 nan 0.000 0.424 38 V N 7.350 127.326 119.914 0.103 0.000 2.513 38 V HA 0.771 4.891 4.120 -0.000 0.000 0.299 38 V C -0.785 175.393 176.094 0.141 0.000 1.035 38 V CA -0.131 62.266 62.300 0.163 0.000 0.889 38 V CB 2.072 34.006 31.823 0.185 0.000 0.988 38 V HN 0.868 nan 8.190 nan 0.000 0.440 39 V N 6.237 126.248 119.914 0.162 0.000 2.448 39 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 39 V C -0.186 176.018 176.094 0.183 0.000 1.025 39 V CA -0.461 61.919 62.300 0.133 0.000 0.859 39 V CB 1.409 33.285 31.823 0.089 0.000 0.988 39 V HN 1.021 nan 8.190 nan 0.000 0.431 40 C N 3.186 122.574 119.300 0.146 0.000 2.417 40 C HA 0.668 5.128 4.460 -0.000 0.000 0.324 40 C C 0.954 176.011 174.990 0.112 0.000 1.240 40 C CA -0.469 58.639 59.018 0.150 0.000 1.632 40 C CB 1.449 29.247 27.740 0.097 0.000 2.241 40 C HN 0.895 nan 8.230 nan 0.000 0.499 41 S N 1.069 116.840 115.700 0.118 0.000 2.655 41 S HA 0.626 5.096 4.470 -0.000 0.000 0.265 41 S C 0.464 175.107 174.600 0.071 0.000 1.240 41 S CA -0.392 57.861 58.200 0.088 0.000 0.986 41 S CB 0.718 63.973 63.200 0.091 0.000 0.985 41 S HN 0.995 nan 8.310 nan 0.000 0.562 42 A N 1.295 124.150 122.820 0.057 0.000 2.366 42 A HA 0.411 4.731 4.320 -0.000 0.000 0.249 42 A C 0.278 177.890 177.584 0.046 0.000 1.084 42 A CA -0.238 51.826 52.037 0.045 0.000 0.794 42 A CB -0.204 18.820 19.000 0.038 0.000 1.034 42 A HN 0.793 nan 8.150 nan 0.000 0.491 43 M N 1.539 121.161 119.600 0.037 0.000 2.248 43 M HA 0.198 4.678 4.480 -0.000 0.000 0.345 43 M C 1.297 177.619 176.300 0.037 0.000 1.243 43 M CA 0.720 56.041 55.300 0.036 0.000 1.090 43 M CB -0.067 32.548 32.600 0.025 0.000 1.683 43 M HN 0.946 nan 8.290 nan 0.000 0.450 44 G N 3.168 111.993 108.800 0.042 0.000 2.930 44 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.322 44 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.322 44 G C 0.332 175.252 174.900 0.033 0.000 0.250 44 G CA 0.245 45.370 45.100 0.041 0.000 1.215 44 G HN 1.022 nan 8.290 nan 0.000 0.231 45 D N 0.558 120.979 120.400 0.035 0.000 2.653 45 D HA -0.227 4.413 4.640 -0.000 0.000 0.184 45 D C 1.853 178.169 176.300 0.028 0.000 0.993 45 D CA 1.983 56.001 54.000 0.030 0.000 1.027 45 D CB -1.476 39.340 40.800 0.025 0.000 1.089 45 D HN 0.581 nan 8.370 nan 0.000 0.447 46 T N 0.013 114.584 114.554 0.028 0.000 2.649 46 T HA -0.277 4.072 4.350 -0.000 0.000 0.268 46 T C 2.080 176.796 174.700 0.026 0.000 1.036 46 T CA 3.295 65.410 62.100 0.025 0.000 1.157 46 T CB -0.636 68.247 68.868 0.026 0.000 0.861 46 T HN 0.660 nan 8.240 nan 0.000 0.445 47 T N 1.706 116.278 114.554 0.030 0.000 2.708 47 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 47 T C 1.640 176.356 174.700 0.027 0.000 1.037 47 T CA 1.772 63.889 62.100 0.030 0.000 1.146 47 T CB -0.582 68.306 68.868 0.034 0.000 0.865 47 T HN 0.577 nan 8.240 nan 0.000 0.435 48 D N 0.801 121.217 120.400 0.027 0.000 2.347 48 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 48 D C 1.851 178.164 176.300 0.022 0.000 0.985 48 D CA 0.452 54.467 54.000 0.024 0.000 0.879 48 D CB -0.483 40.332 40.800 0.025 0.000 0.919 48 D HN 0.586 nan 8.370 nan 0.000 0.526 49 E N -0.319 119.894 120.200 0.021 0.000 2.072 49 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 49 E C 1.583 178.194 176.600 0.018 0.000 0.985 49 E CA 0.455 56.866 56.400 0.018 0.000 0.801 49 E CB 0.016 29.726 29.700 0.018 0.000 0.750 49 E HN 0.142 nan 8.360 nan 0.000 0.452 50 L N 0.430 121.665 121.223 0.019 0.000 2.141 50 L HA -0.164 4.175 4.340 -0.000 0.000 0.209 50 L C 2.015 178.896 176.870 0.018 0.000 1.094 50 L CA 1.124 55.975 54.840 0.018 0.000 0.763 50 L CB -0.437 41.634 42.059 0.020 0.000 0.908 50 L HN 0.181 nan 8.230 nan 0.000 0.437 51 L N -0.834 120.401 121.223 0.020 0.000 2.072 51 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 51 L C 2.511 179.391 176.870 0.018 0.000 1.079 51 L CA 1.387 56.238 54.840 0.020 0.000 0.752 51 L CB -1.034 41.038 42.059 0.022 0.000 0.906 51 L HN 0.355 nan 8.230 nan 0.000 0.436 52 E N -0.397 119.814 120.200 0.018 0.000 2.023 52 E HA -0.230 4.119 4.350 -0.000 0.000 0.196 52 E C 2.318 178.927 176.600 0.014 0.000 1.003 52 E CA 1.219 57.628 56.400 0.016 0.000 0.809 52 E CB -0.228 29.481 29.700 0.015 0.000 0.755 52 E HN 0.384 nan 8.360 nan 0.000 0.449 53 L N 0.527 121.759 121.223 0.014 0.000 2.012 53 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 53 L C 2.665 179.543 176.870 0.012 0.000 1.073 53 L CA 1.212 56.059 54.840 0.013 0.000 0.748 53 L CB -0.581 41.485 42.059 0.012 0.000 0.891 53 L HN 0.149 nan 8.230 nan 0.000 0.431 54 A N -0.054 122.774 122.820 0.014 0.000 1.892 54 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 54 A C 2.476 180.068 177.584 0.013 0.000 1.188 54 A CA 2.081 54.126 52.037 0.013 0.000 0.631 54 A CB -0.781 18.228 19.000 0.015 0.000 0.822 54 A HN 0.455 nan 8.150 nan 0.000 0.447 55 A N -0.624 122.204 122.820 0.014 0.000 1.969 55 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 55 A C 2.422 180.013 177.584 0.012 0.000 1.169 55 A CA 1.804 53.849 52.037 0.013 0.000 0.635 55 A CB -0.784 18.225 19.000 0.015 0.000 0.810 55 A HN 1.034 nan 8.150 nan 0.000 0.445 56 A N -0.856 121.971 122.820 0.012 0.000 1.968 56 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 56 A C 2.132 179.722 177.584 0.009 0.000 1.169 56 A CA 1.503 53.546 52.037 0.010 0.000 0.638 56 A CB -0.618 18.388 19.000 0.010 0.000 0.812 56 A HN 0.328 nan 8.150 nan 0.000 0.446 57 V N -0.279 119.641 119.914 0.010 0.000 2.719 57 V HA -0.031 4.089 4.120 -0.000 0.000 0.252 57 V C 0.738 176.837 176.094 0.009 0.000 1.065 57 V CA 1.705 64.010 62.300 0.009 0.000 1.086 57 V CB -0.714 31.115 31.823 0.009 0.000 0.700 57 V HN 0.752 nan 8.190 nan 0.000 0.467 58 N N -1.536 117.170 118.700 0.010 0.000 2.697 58 N HA 0.209 4.949 4.740 -0.000 0.000 0.271 58 N C -2.532 172.984 175.510 0.010 0.000 1.149 58 N CA -0.806 52.250 53.050 0.010 0.000 0.939 58 N CB 2.105 40.598 38.487 0.010 0.000 1.534 58 N HN -0.199 nan 8.380 nan 0.000 0.556 59 P HA -0.093 nan 4.420 nan 0.000 0.216 59 P C -0.294 177.013 177.300 0.012 0.000 1.150 59 P CA 0.912 64.019 63.100 0.011 0.000 0.837 59 P CB 0.343 32.049 31.700 0.010 0.000 0.786 60 V N 0.897 120.818 119.914 0.012 0.000 2.239 60 V HA 0.262 4.382 4.120 -0.000 0.000 0.267 60 V C -2.404 173.697 176.094 0.012 0.000 1.056 60 V CA -1.953 60.354 62.300 0.012 0.000 0.830 60 V CB 0.569 32.399 31.823 0.012 0.000 1.090 60 V HN -0.017 nan 8.190 nan 0.000 0.459 61 P HA 0.283 nan 4.420 nan 0.000 0.271 61 P C -2.568 174.740 177.300 0.013 0.000 1.220 61 P CA -1.340 61.768 63.100 0.013 0.000 0.768 61 P CB -0.085 31.623 31.700 0.014 0.000 0.848 62 P HA 0.048 nan 4.420 nan 0.000 0.266 62 P C 0.810 178.118 177.300 0.013 0.000 1.215 62 P CA 0.139 63.246 63.100 0.012 0.000 0.763 62 P CB 0.428 32.134 31.700 0.010 0.000 0.806 63 A N 4.314 127.142 122.820 0.013 0.000 2.009 63 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 63 A C 2.207 179.800 177.584 0.014 0.000 1.175 63 A CA 1.887 53.933 52.037 0.015 0.000 0.651 63 A CB -0.778 18.231 19.000 0.015 0.000 0.815 63 A HN 0.388 nan 8.150 nan 0.000 0.459 64 R N 0.132 120.640 120.500 0.013 0.000 2.148 64 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 64 R C 1.550 177.857 176.300 0.012 0.000 1.103 64 R CA 1.793 57.901 56.100 0.012 0.000 0.983 64 R CB -0.213 30.093 30.300 0.010 0.000 0.874 64 R HN 0.635 nan 8.270 nan 0.000 0.451 65 E N -0.862 119.345 120.200 0.012 0.000 2.340 65 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 65 E C 1.669 178.277 176.600 0.013 0.000 0.996 65 E CA 0.245 56.652 56.400 0.012 0.000 0.869 65 E CB -0.194 29.513 29.700 0.011 0.000 0.835 65 E HN 0.268 nan 8.360 nan 0.000 0.493 66 M N 1.328 120.937 119.600 0.015 0.000 2.296 66 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 66 M C 0.880 177.191 176.300 0.018 0.000 1.064 66 M CA 1.072 56.382 55.300 0.016 0.000 1.109 66 M CB -0.382 32.228 32.600 0.017 0.000 1.396 66 M HN -0.029 nan 8.290 nan 0.000 0.430 67 D N -0.149 120.261 120.400 0.017 0.000 2.183 67 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 67 D C 1.987 178.298 176.300 0.018 0.000 0.969 67 D CA 1.098 55.109 54.000 0.019 0.000 0.842 67 D CB -0.088 40.723 40.800 0.018 0.000 0.957 67 D HN 0.383 nan 8.370 nan 0.000 0.484 68 M N -0.180 119.430 119.600 0.016 0.000 2.200 68 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 68 M C 2.114 178.423 176.300 0.016 0.000 1.066 68 M CA 0.660 55.969 55.300 0.015 0.000 1.127 68 M CB -0.057 32.551 32.600 0.012 0.000 1.379 68 M HN -0.006 nan 8.290 nan 0.000 0.420 69 L N 0.806 122.038 121.223 0.016 0.000 2.005 69 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 69 L C 2.100 178.982 176.870 0.019 0.000 1.072 69 L CA 1.859 56.708 54.840 0.016 0.000 0.744 69 L CB -0.532 41.536 42.059 0.016 0.000 0.895 69 L HN 0.220 nan 8.230 nan 0.000 0.433 70 L N -1.582 119.654 121.223 0.021 0.000 2.109 70 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 70 L C 2.317 179.203 176.870 0.027 0.000 1.086 70 L CA 1.364 56.219 54.840 0.025 0.000 0.760 70 L CB -1.068 41.007 42.059 0.027 0.000 0.910 70 L HN 0.252 nan 8.230 nan 0.000 0.437 71 T N 0.225 114.795 114.554 0.025 0.000 2.720 71 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 71 T C 2.029 176.743 174.700 0.024 0.000 1.037 71 T CA 1.505 63.621 62.100 0.026 0.000 1.144 71 T CB -0.200 68.683 68.868 0.024 0.000 0.864 71 T HN 0.458 nan 8.240 nan 0.000 0.444 72 A N 1.206 124.038 122.820 0.020 0.000 1.930 72 A HA 0.185 4.504 4.320 -0.000 0.000 0.217 72 A C 2.625 180.220 177.584 0.018 0.000 1.175 72 A CA 1.673 53.721 52.037 0.017 0.000 0.627 72 A CB -1.221 17.787 19.000 0.014 0.000 0.815 72 A HN 0.512 nan 8.150 nan 0.000 0.443 73 G N -0.587 108.225 108.800 0.020 0.000 2.443 73 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 73 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 73 G C 1.400 176.315 174.900 0.025 0.000 1.131 73 G CA 0.931 46.044 45.100 0.022 0.000 0.775 73 G HN 0.659 nan 8.290 nan 0.000 0.547 74 E N -0.158 120.060 120.200 0.029 0.000 2.170 74 E HA 0.041 4.391 4.350 -0.000 0.000 0.191 74 E C 2.650 179.269 176.600 0.031 0.000 0.981 74 E CA -0.098 56.323 56.400 0.035 0.000 0.830 74 E CB 0.031 29.756 29.700 0.042 0.000 0.775 74 E HN 0.274 nan 8.360 nan 0.000 0.470 75 R N 0.748 121.264 120.500 0.026 0.000 2.120 75 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 75 R C 2.491 178.799 176.300 0.014 0.000 1.123 75 R CA 1.241 57.353 56.100 0.020 0.000 0.975 75 R CB -0.367 29.942 30.300 0.015 0.000 0.866 75 R HN 0.245 nan 8.270 nan 0.000 0.446 76 I N -1.883 118.695 120.570 0.013 0.000 2.546 76 I HA -0.049 4.121 4.170 -0.000 0.000 0.255 76 I C 1.863 177.984 176.117 0.007 0.000 1.163 76 I CA 1.453 62.758 61.300 0.008 0.000 1.457 76 I CB -0.112 37.892 38.000 0.008 0.000 1.092 76 I HN -0.154 nan 8.210 nan 0.000 0.434 77 S N 0.756 116.464 115.700 0.013 0.000 2.395 77 S HA -0.122 4.347 4.470 -0.000 0.000 0.225 77 S C 1.897 176.501 174.600 0.007 0.000 1.027 77 S CA 1.473 59.680 58.200 0.012 0.000 0.965 77 S CB -0.665 62.551 63.200 0.026 0.000 0.812 77 S HN 0.742 nan 8.310 nan 0.000 0.482 78 N N 0.880 119.590 118.700 0.017 0.000 2.084 78 N HA -0.090 4.650 4.740 -0.000 0.000 0.190 78 N C 1.766 177.278 175.510 0.003 0.000 1.030 78 N CA 1.248 54.310 53.050 0.020 0.000 0.849 78 N CB -0.316 38.190 38.487 0.032 0.000 1.012 78 N HN 0.364 nan 8.380 nan 0.000 0.423 79 A N 0.702 123.521 122.820 -0.002 0.000 1.877 79 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 79 A C 2.205 179.779 177.584 -0.017 0.000 1.186 79 A CA 1.010 53.041 52.037 -0.011 0.000 0.620 79 A CB -0.864 18.130 19.000 -0.010 0.000 0.822 79 A HN 0.352 nan 8.150 nan 0.000 0.443 80 L N -0.558 120.655 121.223 -0.017 0.000 2.083 80 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 80 L C 2.504 179.350 176.870 -0.040 0.000 1.083 80 L CA 0.883 55.708 54.840 -0.025 0.000 0.752 80 L CB -0.406 41.641 42.059 -0.021 0.000 0.899 80 L HN 0.254 nan 8.230 nan 0.000 0.433 81 V N -0.192 119.694 119.914 -0.047 0.000 2.358 81 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 81 V C 2.726 178.787 176.094 -0.056 0.000 1.047 81 V CA 1.670 63.926 62.300 -0.074 0.000 1.035 81 V CB -0.777 30.992 31.823 -0.090 0.000 0.658 81 V HN 0.467 nan 8.190 nan 0.000 0.452 82 A N -0.281 122.520 122.820 -0.033 0.000 1.865 82 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 82 A C 2.249 179.816 177.584 -0.028 0.000 1.191 82 A CA 2.471 54.494 52.037 -0.024 0.000 0.623 82 A CB -0.558 18.433 19.000 -0.016 0.000 0.826 82 A HN 0.489 nan 8.150 nan 0.000 0.444 83 M N -0.680 118.902 119.600 -0.028 0.000 2.202 83 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 83 M C 2.466 178.747 176.300 -0.032 0.000 1.063 83 M CA 1.408 56.691 55.300 -0.027 0.000 1.097 83 M CB -0.406 32.179 32.600 -0.024 0.000 1.382 83 M HN 0.525 nan 8.290 nan 0.000 0.413 84 A N 0.605 123.400 122.820 -0.042 0.000 1.897 84 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 84 A C 1.973 179.526 177.584 -0.052 0.000 1.181 84 A CA 1.059 53.065 52.037 -0.051 0.000 0.620 84 A CB -0.532 18.426 19.000 -0.069 0.000 0.821 84 A HN 0.352 nan 8.150 nan 0.000 0.443 85 I N 0.314 120.852 120.570 -0.054 0.000 2.226 85 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 85 I C 2.247 178.345 176.117 -0.032 0.000 1.100 85 I CA 1.640 62.912 61.300 -0.046 0.000 1.374 85 I CB -1.715 36.263 38.000 -0.038 0.000 1.057 85 I HN 0.446 nan 8.210 nan 0.000 0.413 86 E N 0.993 121.177 120.200 -0.027 0.000 2.110 86 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 86 E C 2.430 179.018 176.600 -0.021 0.000 0.988 86 E CA 1.480 57.867 56.400 -0.021 0.000 0.804 86 E CB -0.196 29.493 29.700 -0.020 0.000 0.745 86 E HN 0.627 nan 8.360 nan 0.000 0.458 87 S N 0.777 116.463 115.700 -0.025 0.000 2.419 87 S HA -0.085 4.384 4.470 -0.000 0.000 0.233 87 S C 1.808 176.394 174.600 -0.023 0.000 1.016 87 S CA 0.950 59.136 58.200 -0.023 0.000 0.974 87 S CB -0.319 62.865 63.200 -0.026 0.000 0.786 87 S HN 0.064 nan 8.310 nan 0.000 0.492 88 L N 0.062 121.269 121.223 -0.027 0.000 2.653 88 L HA 0.332 4.672 4.340 -0.000 0.000 0.231 88 L C 1.695 178.553 176.870 -0.020 0.000 1.153 88 L CA 0.335 55.159 54.840 -0.026 0.000 0.933 88 L CB 0.147 42.185 42.059 -0.034 0.000 1.175 88 L HN 0.528 nan 8.230 nan 0.000 0.473 89 G N -0.268 108.522 108.800 -0.017 0.000 2.254 89 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 89 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 89 G C 0.490 175.384 174.900 -0.010 0.000 1.003 89 G CA -0.072 45.020 45.100 -0.012 0.000 0.622 89 G HN 0.474 nan 8.290 nan 0.000 0.507 90 A N 0.198 123.012 122.820 -0.011 0.000 2.296 90 A HA 0.682 5.002 4.320 -0.000 0.000 0.264 90 A C 0.246 177.828 177.584 -0.005 0.000 1.097 90 A CA 0.246 52.279 52.037 -0.006 0.000 0.811 90 A CB 0.389 19.386 19.000 -0.007 0.000 1.072 90 A HN 0.437 nan 8.150 nan 0.000 0.495 91 E N -0.547 119.654 120.200 0.002 0.000 2.191 91 E HA 0.556 4.906 4.350 -0.000 0.000 0.274 91 E C -0.557 176.050 176.600 0.011 0.000 0.948 91 E CA -0.555 55.847 56.400 0.003 0.000 0.802 91 E CB 1.969 31.673 29.700 0.006 0.000 1.137 91 E HN 0.766 nan 8.360 nan 0.000 0.397 92 A N 2.708 125.532 122.820 0.006 0.000 2.374 92 A HA 0.536 4.856 4.320 -0.000 0.000 0.317 92 A C -1.019 176.570 177.584 0.009 0.000 1.094 92 A CA -0.598 51.449 52.037 0.016 0.000 0.765 92 A CB 1.699 20.702 19.000 0.005 0.000 1.268 92 A HN 0.512 nan 8.150 nan 0.000 0.438 93 Q N 0.859 120.681 119.800 0.038 0.000 2.275 93 Q HA 0.563 4.903 4.340 -0.000 0.000 0.266 93 Q C -1.250 174.729 176.000 -0.036 0.000 1.002 93 Q CA -0.038 55.749 55.803 -0.028 0.000 0.761 93 Q CB 1.795 30.562 28.738 0.048 0.000 1.255 93 Q HN 0.648 nan 8.270 nan 0.000 0.446 94 S N 3.594 119.180 115.700 -0.191 0.000 2.541 94 S HA 0.679 5.149 4.470 -0.000 0.000 0.283 94 S C -1.102 173.282 174.600 -0.361 0.000 1.196 94 S CA -0.267 57.862 58.200 -0.119 0.000 1.062 94 S CB 0.383 63.538 63.200 -0.074 0.000 1.009 94 S HN 0.498 nan 8.310 nan 0.000 0.502 95 F N 1.097 121.049 119.950 0.004 0.000 2.539 95 F HA 0.491 5.018 4.527 -0.000 0.000 0.318 95 F C 0.612 176.415 175.800 0.004 0.000 1.135 95 F CA -0.477 57.524 58.000 0.002 0.000 0.915 95 F CB 2.236 41.237 39.000 0.002 0.000 1.176 95 F HN 0.439 nan 8.300 nan 0.000 0.440 118 P HA -0.017 nan 4.420 nan 0.000 0.218 118 P C 1.760 178.997 177.300 -0.106 0.000 1.148 118 P CA 1.636 64.656 63.100 -0.134 0.000 0.822 118 P CB -0.606 31.023 31.700 -0.118 0.000 0.784 119 G N -0.190 108.567 108.800 -0.071 0.000 2.432 119 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 119 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 119 G C 1.920 176.807 174.900 -0.021 0.000 1.135 119 G CA 1.175 46.251 45.100 -0.040 0.000 0.767 119 G HN 0.462 nan 8.290 nan 0.000 0.550 120 R N -0.211 120.279 120.500 -0.017 0.000 2.206 120 R HA 0.460 4.800 4.340 -0.000 0.000 0.198 120 R C 2.496 178.819 176.300 0.039 0.000 0.986 120 R CA 0.942 57.077 56.100 0.058 0.000 1.029 120 R CB -0.836 29.555 30.300 0.151 0.000 0.966 120 R HN 0.247 nan 8.270 nan 0.000 0.487 121 V N 1.132 120.927 119.914 -0.198 0.000 2.343 121 V HA -0.233 3.886 4.120 -0.000 0.000 0.247 121 V C 2.673 178.700 176.094 -0.112 0.000 1.051 121 V CA 2.157 64.244 62.300 -0.355 0.000 1.036 121 V CB -0.421 31.109 31.823 -0.489 0.000 0.654 121 V HN 0.527 nan 8.190 nan 0.000 0.451 122 R N 0.540 120.992 120.500 -0.080 0.000 2.105 122 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 122 R C 2.111 178.410 176.300 -0.002 0.000 1.135 122 R CA 1.783 57.859 56.100 -0.039 0.000 0.967 122 R CB -0.483 29.793 30.300 -0.039 0.000 0.861 122 R HN 0.648 nan 8.270 nan 0.000 0.442 123 E N -0.628 119.584 120.200 0.020 0.000 2.031 123 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 123 E C 1.959 178.593 176.600 0.058 0.000 0.994 123 E CA 1.377 57.801 56.400 0.040 0.000 0.800 123 E CB -0.281 29.451 29.700 0.054 0.000 0.752 123 E HN 0.449 nan 8.360 nan 0.000 0.447 124 A N 1.049 123.932 122.820 0.104 0.000 1.908 124 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 124 A C 2.129 179.760 177.584 0.079 0.000 1.181 124 A CA 1.225 53.338 52.037 0.127 0.000 0.627 124 A CB -0.605 18.556 19.000 0.269 0.000 0.818 124 A HN 0.111 nan 8.150 nan 0.000 0.445 125 L N 0.385 121.639 121.223 0.052 0.000 2.013 125 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 125 L C 1.940 178.823 176.870 0.022 0.000 1.073 125 L CA 2.277 57.133 54.840 0.026 0.000 0.753 125 L CB -0.890 41.169 42.059 -0.002 0.000 0.890 125 L HN 0.374 nan 8.230 nan 0.000 0.432 126 D N -0.793 119.618 120.400 0.019 0.000 2.178 126 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 126 D C 2.062 178.374 176.300 0.019 0.000 0.980 126 D CA 0.815 54.824 54.000 0.015 0.000 0.842 126 D CB -0.006 40.801 40.800 0.012 0.000 0.948 126 D HN 0.476 nan 8.370 nan 0.000 0.472 127 E N -0.391 119.824 120.200 0.026 0.000 2.347 127 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 127 E C 1.087 177.701 176.600 0.023 0.000 1.008 127 E CA 0.532 56.947 56.400 0.024 0.000 0.852 127 E CB 0.217 29.934 29.700 0.029 0.000 0.783 127 E HN 0.323 nan 8.360 nan 0.000 0.505 128 G N 1.795 110.610 108.800 0.026 0.000 2.141 128 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 128 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 128 G C -0.013 174.904 174.900 0.028 0.000 0.984 128 G CA -0.068 45.046 45.100 0.023 0.000 0.660 128 G HN 0.098 nan 8.290 nan 0.000 0.525 129 K N -0.119 120.305 120.400 0.040 0.000 2.185 129 K HA 0.545 4.865 4.320 -0.000 0.000 0.271 129 K C 0.275 176.910 176.600 0.058 0.000 1.013 129 K CA -0.570 55.746 56.287 0.047 0.000 0.943 129 K CB 1.280 33.816 32.500 0.060 0.000 0.998 129 K HN 0.169 nan 8.250 nan 0.000 0.468 130 I N 2.203 122.805 120.570 0.054 0.000 2.379 130 I HA 0.008 4.178 4.170 -0.000 0.000 0.290 130 I C -0.086 176.090 176.117 0.099 0.000 1.063 130 I CA -0.264 61.073 61.300 0.061 0.000 1.351 130 I CB 0.425 38.451 38.000 0.043 0.000 1.410 130 I HN 0.474 nan 8.210 nan 0.000 0.505 131 C N 7.342 126.713 119.300 0.118 0.000 2.415 131 C HA 0.473 4.933 4.460 -0.000 0.000 0.369 131 C C 0.225 175.316 174.990 0.169 0.000 1.279 131 C CA -0.418 58.722 59.018 0.202 0.000 1.886 131 C CB -0.188 27.611 27.740 0.098 0.000 2.468 131 C HN 0.564 nan 8.230 nan 0.000 0.553 132 I N 6.119 126.830 120.570 0.235 0.000 2.382 132 I HA 0.629 4.799 4.170 -0.000 0.000 0.286 132 I C -0.294 175.955 176.117 0.221 0.000 1.002 132 I CA -0.310 61.092 61.300 0.169 0.000 1.135 132 I CB 1.207 39.270 38.000 0.104 0.000 1.288 132 I HN 0.534 nan 8.210 nan 0.000 0.448 133 V N 5.582 125.587 119.914 0.153 0.000 2.487 133 V HA 0.928 5.047 4.120 -0.000 0.000 0.298 133 V C 0.310 176.464 176.094 0.100 0.000 1.028 133 V CA -0.544 61.842 62.300 0.143 0.000 0.860 133 V CB 0.971 32.826 31.823 0.053 0.000 0.991 133 V HN 1.052 nan 8.190 nan 0.000 0.427 134 A N 4.257 127.136 122.820 0.098 0.000 2.540 134 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 134 A C 1.131 178.751 177.584 0.060 0.000 1.061 134 A CA 0.673 52.753 52.037 0.072 0.000 0.758 134 A CB -0.334 18.705 19.000 0.064 0.000 0.991 134 A HN 2.071 nan 8.150 nan 0.000 0.502 154 S N 0.730 116.468 115.700 0.062 0.000 2.353 154 S HA -0.135 4.335 4.470 -0.000 0.000 0.222 154 S C 1.859 176.497 174.600 0.064 0.000 1.035 154 S CA 2.076 60.314 58.200 0.064 0.000 1.025 154 S CB -0.231 63.013 63.200 0.073 0.000 0.902 154 S HN 0.695 nan 8.310 nan 0.000 0.440 155 D N 1.025 121.464 120.400 0.065 0.000 2.104 155 D HA -0.077 4.562 4.640 -0.000 0.000 0.194 155 D C 2.123 178.477 176.300 0.091 0.000 0.994 155 D CA 1.548 55.587 54.000 0.065 0.000 0.830 155 D CB -0.700 40.134 40.800 0.057 0.000 0.959 155 D HN 0.315 nan 8.370 nan 0.000 0.452 156 T N -0.325 114.303 114.554 0.123 0.000 2.821 156 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 156 T C 1.952 176.699 174.700 0.079 0.000 1.046 156 T CA 1.475 63.688 62.100 0.189 0.000 1.139 156 T CB -0.435 68.598 68.868 0.275 0.000 0.871 156 T HN 0.161 nan 8.240 nan 0.000 0.454 157 T N 2.145 116.729 114.554 0.049 0.000 2.684 157 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 157 T C 2.404 177.103 174.700 -0.001 0.000 1.036 157 T CA 1.273 63.379 62.100 0.010 0.000 1.148 157 T CB -0.594 68.287 68.868 0.022 0.000 0.863 157 T HN 0.436 nan 8.240 nan 0.000 0.436 158 A N 1.017 123.850 122.820 0.023 0.000 1.865 158 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 158 A C 2.623 180.210 177.584 0.005 0.000 1.191 158 A CA 1.671 53.717 52.037 0.015 0.000 0.623 158 A CB -1.117 17.899 19.000 0.028 0.000 0.826 158 A HN 0.351 nan 8.150 nan 0.000 0.444 159 V N -0.083 119.853 119.914 0.036 0.000 2.343 159 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 159 V C 3.053 179.138 176.094 -0.016 0.000 1.051 159 V CA 1.860 64.189 62.300 0.048 0.000 1.036 159 V CB -1.390 30.513 31.823 0.134 0.000 0.654 159 V HN 0.638 nan 8.190 nan 0.000 0.451 160 A N 0.048 122.834 122.820 -0.056 0.000 1.873 160 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 160 A C 2.242 179.719 177.584 -0.178 0.000 1.193 160 A CA 2.197 54.131 52.037 -0.171 0.000 0.629 160 A CB -0.704 18.184 19.000 -0.186 0.000 0.826 160 A HN 0.489 nan 8.150 nan 0.000 0.447 161 L N -0.908 120.243 121.223 -0.121 0.000 2.042 161 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 161 L C 3.088 179.889 176.870 -0.114 0.000 1.076 161 L CA 1.155 55.922 54.840 -0.121 0.000 0.749 161 L CB -0.484 41.519 42.059 -0.094 0.000 0.893 161 L HN 0.470 nan 8.230 nan 0.000 0.432 162 A N -0.307 122.462 122.820 -0.084 0.000 1.930 162 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 162 A C 2.511 180.031 177.584 -0.106 0.000 1.175 162 A CA 1.572 53.569 52.037 -0.067 0.000 0.627 162 A CB -0.612 18.373 19.000 -0.024 0.000 0.815 162 A HN 0.410 nan 8.150 nan 0.000 0.443 163 A N -0.025 122.688 122.820 -0.179 0.000 1.877 163 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 163 A C 2.516 179.899 177.584 -0.336 0.000 1.186 163 A CA 2.108 53.944 52.037 -0.335 0.000 0.620 163 A CB -1.047 17.546 19.000 -0.679 0.000 0.822 163 A HN 1.026 nan 8.150 nan 0.000 0.443 164 A N -1.039 121.602 122.820 -0.298 0.000 1.930 164 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 164 A C 1.752 179.244 177.584 -0.154 0.000 1.175 164 A CA 1.516 53.413 52.037 -0.234 0.000 0.627 164 A CB -0.358 18.520 19.000 -0.203 0.000 0.815 164 A HN 0.375 nan 8.150 nan 0.000 0.443 165 L N -0.000 121.145 121.223 -0.129 0.000 2.558 165 L HA 0.122 4.462 4.340 -0.000 0.000 0.225 165 L C 0.937 177.767 176.870 -0.067 0.000 1.128 165 L CA 0.690 55.476 54.840 -0.090 0.000 0.868 165 L CB -1.732 40.277 42.059 -0.082 0.000 1.006 165 L HN 0.683 nan 8.230 nan 0.000 0.454 166 N N 0.134 118.790 118.700 -0.073 0.000 2.738 166 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 166 N C 0.312 175.808 175.510 -0.024 0.000 1.047 166 N CA 0.261 53.286 53.050 -0.041 0.000 0.707 166 N CB -0.226 38.245 38.487 -0.027 0.000 0.937 166 N HN 0.338 nan 8.380 nan 0.000 0.545 167 A N 0.304 123.108 122.820 -0.027 0.000 2.483 167 A HA 0.065 4.385 4.320 -0.000 0.000 0.238 167 A C 1.105 178.691 177.584 0.004 0.000 1.070 167 A CA 0.254 52.284 52.037 -0.012 0.000 0.770 167 A CB 0.284 19.275 19.000 -0.015 0.000 1.008 167 A HN 0.482 nan 8.150 nan 0.000 0.497 168 D N -0.718 119.686 120.400 0.007 0.000 2.183 168 D HA 0.042 4.682 4.640 -0.000 0.000 0.203 168 D C 0.676 176.985 176.300 0.015 0.000 0.969 168 D CA 2.147 56.155 54.000 0.012 0.000 0.842 168 D CB 0.096 40.902 40.800 0.009 0.000 0.957 168 D HN 0.587 nan 8.370 nan 0.000 0.484 169 V N -2.507 117.414 119.914 0.012 0.000 3.204 169 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 169 V C -1.323 174.773 176.094 0.003 0.000 1.328 169 V CA -1.288 61.016 62.300 0.007 0.000 1.035 169 V CB 2.246 34.065 31.823 -0.007 0.000 1.095 169 V HN 0.016 nan 8.190 nan 0.000 0.442 170 C N 2.767 122.065 119.300 -0.004 0.000 2.344 170 C HA 0.661 5.121 4.460 -0.000 0.000 0.326 170 C C -0.106 174.842 174.990 -0.070 0.000 1.201 170 C CA 0.003 59.010 59.018 -0.017 0.000 1.410 170 C CB -0.173 27.570 27.740 0.006 0.000 2.070 170 C HN 1.048 nan 8.230 nan 0.000 0.445 171 E N 5.053 125.184 120.200 -0.116 0.000 2.227 171 E HA 0.453 4.803 4.350 -0.000 0.000 0.282 171 E C -0.316 176.049 176.600 -0.392 0.000 1.015 171 E CA -0.163 56.055 56.400 -0.304 0.000 0.823 171 E CB 1.231 30.708 29.700 -0.372 0.000 1.081 171 E HN 0.794 nan 8.360 nan 0.000 0.396 172 I N 0.109 120.415 120.570 -0.439 0.000 2.355 172 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 172 I C -1.171 174.684 176.117 -0.437 0.000 0.999 172 I CA -0.977 60.130 61.300 -0.321 0.000 1.163 172 I CB 0.472 38.383 38.000 -0.149 0.000 1.316 172 I HN 0.357 nan 8.210 nan 0.000 0.454 173 Y N 5.293 125.458 120.300 -0.225 0.000 2.369 173 Y HA 0.550 5.099 4.550 -0.000 0.000 0.337 173 Y C 0.743 176.637 175.900 -0.010 0.000 0.961 173 Y CA -0.196 57.809 58.100 -0.158 0.000 1.186 173 Y CB 1.684 39.927 38.460 -0.362 0.000 1.139 173 Y HN 0.851 nan 8.280 nan 0.000 0.494 174 S N -0.068 115.727 115.700 0.159 0.000 3.081 174 S HA 0.376 4.846 4.470 -0.000 0.000 0.316 174 S C 0.000 174.702 174.600 0.168 0.000 1.089 174 S CA -0.710 57.582 58.200 0.153 0.000 0.897 174 S CB 1.082 64.338 63.200 0.093 0.000 1.358 174 S HN 0.377 nan 8.310 nan 0.000 0.678 175 D N 0.720 121.197 120.400 0.128 0.000 2.355 175 D HA 0.160 4.800 4.640 -0.000 0.000 0.218 175 D C 0.657 177.017 176.300 0.100 0.000 1.004 175 D CA 0.479 54.547 54.000 0.114 0.000 0.880 175 D CB 0.086 40.931 40.800 0.074 0.000 0.911 175 D HN 0.515 nan 8.370 nan 0.000 0.528 176 V N 0.241 120.214 119.914 0.098 0.000 2.481 176 V HA 0.320 4.439 4.120 -0.000 0.000 0.286 176 V C 0.623 176.791 176.094 0.123 0.000 1.042 176 V CA -0.696 61.669 62.300 0.108 0.000 0.928 176 V CB 1.839 33.723 31.823 0.101 0.000 0.986 176 V HN -0.102 nan 8.190 nan 0.000 0.462 177 D N 2.787 123.284 120.400 0.163 0.000 2.340 177 D HA 0.383 5.022 4.640 -0.000 0.000 0.220 177 D C 0.626 176.973 176.300 0.078 0.000 1.039 177 D CA 0.960 55.040 54.000 0.133 0.000 0.866 177 D CB 0.630 41.521 40.800 0.153 0.000 0.913 177 D HN 1.137 nan 8.370 nan 0.000 0.523 178 G N -0.666 108.198 108.800 0.106 0.000 2.430 178 G HA2 0.425 4.385 3.960 -0.000 0.000 0.300 178 G HA3 0.425 4.385 3.960 -0.000 0.000 0.300 178 G C -1.563 173.355 174.900 0.031 0.000 1.330 178 G CA -0.357 44.721 45.100 -0.038 0.000 0.813 178 G HN 0.468 nan 8.290 nan 0.000 0.487 179 V N -1.182 118.697 119.914 -0.060 0.000 2.347 179 V HA 0.776 4.896 4.120 -0.000 0.000 0.280 179 V C -0.775 175.296 176.094 -0.038 0.000 1.021 179 V CA -1.021 61.292 62.300 0.023 0.000 0.847 179 V CB 0.194 32.015 31.823 -0.002 0.000 0.990 179 V HN 0.616 nan 8.190 nan 0.000 0.444 180 Y N 2.903 123.206 120.300 0.005 0.000 2.374 180 Y HA 0.400 4.951 4.550 0.000 0.000 0.322 180 Y C 2.195 178.116 175.900 0.035 0.000 1.275 180 Y CA 0.259 58.369 58.100 0.016 0.000 1.307 180 Y CB 1.891 40.355 38.460 0.007 0.000 1.282 180 Y HN 0.826 nan 8.280 nan 0.000 0.509 181 T N -1.271 113.415 114.554 0.221 0.000 3.007 181 T HA 0.331 4.681 4.350 -0.000 0.000 0.270 181 T C 0.379 175.236 174.700 0.263 0.000 1.107 181 T CA 0.752 62.989 62.100 0.229 0.000 1.118 181 T CB -0.249 68.805 68.868 0.310 0.000 0.889 181 T HN 0.694 nan 8.240 nan 0.000 0.506 182 A N 0.230 123.153 122.820 0.171 0.000 2.544 182 A HA 0.491 4.811 4.320 -0.000 0.000 0.291 182 A C -1.687 175.892 177.584 -0.009 0.000 1.055 182 A CA -0.827 51.236 52.037 0.042 0.000 0.651 182 A CB 0.328 19.254 19.000 -0.123 0.000 1.296 182 A HN 0.098 nan 8.150 nan 0.000 0.431 183 D N 0.756 121.126 120.400 -0.050 0.000 2.401 183 D HA 0.294 4.934 4.640 -0.000 0.000 0.254 183 D C -1.542 174.667 176.300 -0.153 0.000 1.192 183 D CA -1.210 52.733 54.000 -0.095 0.000 0.885 183 D CB 1.182 41.940 40.800 -0.069 0.000 1.147 183 D HN 0.089 nan 8.370 nan 0.000 0.478 184 P HA -0.079 nan 4.420 nan 0.000 0.221 184 P C 1.249 178.455 177.300 -0.156 0.000 1.150 184 P CA 1.145 64.111 63.100 -0.223 0.000 0.800 184 P CB 0.123 31.613 31.700 -0.351 0.000 0.787 185 R N -0.045 120.372 120.500 -0.140 0.000 2.241 185 R HA -0.074 4.266 4.340 -0.000 0.000 0.224 185 R C 1.733 177.985 176.300 -0.081 0.000 1.101 185 R CA 1.460 57.502 56.100 -0.097 0.000 0.995 185 R CB -1.617 28.634 30.300 -0.082 0.000 0.870 185 R HN 0.210 nan 8.270 nan 0.000 0.463 186 I N -1.091 119.425 120.570 -0.091 0.000 3.565 186 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 186 I C 0.170 176.229 176.117 -0.097 0.000 1.193 186 I CA 0.382 61.635 61.300 -0.079 0.000 1.402 186 I CB 0.344 38.303 38.000 -0.069 0.000 1.284 186 I HN -0.002 nan 8.210 nan 0.000 0.454 187 V N 3.946 123.775 119.914 -0.141 0.000 2.293 187 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 187 V C -1.503 174.492 176.094 -0.165 0.000 1.021 187 V CA -1.003 61.181 62.300 -0.193 0.000 0.815 187 V CB 1.225 32.816 31.823 -0.386 0.000 1.025 187 V HN 0.011 nan 8.190 nan 0.000 0.448 188 P HA -0.128 nan 4.420 nan 0.000 0.216 188 P C 0.850 178.124 177.300 -0.044 0.000 1.150 188 P CA 1.411 64.473 63.100 -0.063 0.000 0.843 188 P CB 0.121 31.799 31.700 -0.037 0.000 0.787 189 N N -1.040 117.635 118.700 -0.043 0.000 2.383 189 N HA 0.161 4.901 4.740 -0.000 0.000 0.192 189 N C 0.287 175.848 175.510 0.085 0.000 1.141 189 N CA -0.068 53.009 53.050 0.046 0.000 0.851 189 N CB -0.314 38.252 38.487 0.133 0.000 0.976 189 N HN 0.074 nan 8.380 nan 0.000 0.465 190 A N 1.353 124.116 122.820 -0.095 0.000 2.520 190 A HA 0.149 4.469 4.320 -0.000 0.000 0.245 190 A C 0.443 178.158 177.584 0.219 0.000 1.072 190 A CA -0.010 52.025 52.037 -0.004 0.000 0.761 190 A CB 0.016 18.962 19.000 -0.091 0.000 1.004 190 A HN 0.414 nan 8.150 nan 0.000 0.499 191 Q N 1.883 121.853 119.800 0.282 0.000 2.458 191 Q HA 0.570 4.910 4.340 -0.000 0.000 0.282 191 Q C -0.651 175.365 176.000 0.026 0.000 1.106 191 Q CA -1.105 54.830 55.803 0.221 0.000 0.814 191 Q CB 1.468 30.275 28.738 0.115 0.000 1.425 191 Q HN 0.589 nan 8.270 nan 0.000 0.437 192 K N 1.585 121.821 120.400 -0.274 0.000 2.379 192 K HA 0.128 4.448 4.320 -0.000 0.000 0.284 192 K C -0.676 175.751 176.600 -0.288 0.000 1.044 192 K CA -0.494 55.405 56.287 -0.647 0.000 0.974 192 K CB 0.446 32.563 32.500 -0.639 0.000 0.962 192 K HN 0.470 nan 8.250 nan 0.000 0.474 193 L N 4.149 125.220 121.223 -0.252 0.000 2.439 193 L HA 0.017 4.357 4.340 -0.000 0.000 0.269 193 L C 1.521 178.303 176.870 -0.148 0.000 1.179 193 L CA 0.643 55.395 54.840 -0.147 0.000 0.828 193 L CB 0.963 42.955 42.059 -0.111 0.000 1.106 193 L HN 0.781 nan 8.230 nan 0.000 0.467 194 E N 0.943 121.078 120.200 -0.108 0.000 2.290 194 E HA 0.099 4.449 4.350 -0.000 0.000 0.197 194 E C 0.258 176.802 176.600 -0.092 0.000 0.948 194 E CA 0.023 56.366 56.400 -0.095 0.000 0.895 194 E CB 0.654 30.310 29.700 -0.074 0.000 0.865 194 E HN 0.439 nan 8.360 nan 0.000 0.486 195 K N 0.372 120.718 120.400 -0.089 0.000 2.469 195 K HA 0.540 4.860 4.320 -0.000 0.000 0.254 195 K C -2.147 174.394 176.600 -0.099 0.000 0.939 195 K CA -0.988 55.240 56.287 -0.097 0.000 0.812 195 K CB 2.069 34.516 32.500 -0.089 0.000 1.301 195 K HN 0.053 nan 8.250 nan 0.000 0.433 196 L N 1.788 122.940 121.223 -0.120 0.000 2.545 196 L HA 0.369 4.709 4.340 -0.000 0.000 0.258 196 L C -0.846 175.927 176.870 -0.162 0.000 0.942 196 L CA -0.158 54.615 54.840 -0.113 0.000 0.855 196 L CB 2.040 44.044 42.059 -0.092 0.000 1.374 196 L HN 0.786 nan 8.230 nan 0.000 0.411 197 S N 2.379 117.998 115.700 -0.134 0.000 2.624 197 S HA 0.375 4.845 4.470 -0.000 0.000 0.263 197 S C 1.105 175.628 174.600 -0.127 0.000 1.287 197 S CA -0.147 57.951 58.200 -0.169 0.000 0.990 197 S CB 0.358 63.514 63.200 -0.074 0.000 0.950 197 S HN 0.451 nan 8.310 nan 0.000 0.561 198 F N 1.931 121.869 119.950 -0.020 0.000 2.051 198 F HA -0.034 4.493 4.527 -0.000 0.000 0.296 198 F C 2.779 178.562 175.800 -0.028 0.000 1.122 198 F CA 1.864 59.851 58.000 -0.021 0.000 1.201 198 F CB -0.801 38.189 39.000 -0.017 0.000 0.978 198 F HN 0.722 nan 8.300 nan 0.000 0.472 199 E N 0.677 120.982 120.200 0.175 0.000 2.106 199 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 199 E C 1.838 178.461 176.600 0.038 0.000 0.984 199 E CA 1.389 57.836 56.400 0.078 0.000 0.806 199 E CB -1.027 28.702 29.700 0.048 0.000 0.750 199 E HN 0.524 nan 8.360 nan 0.000 0.458 200 E N 0.414 120.627 120.200 0.022 0.000 2.097 200 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 200 E C 2.029 178.631 176.600 0.003 0.000 1.000 200 E CA 1.849 58.248 56.400 -0.002 0.000 0.804 200 E CB -0.229 29.457 29.700 -0.023 0.000 0.740 200 E HN 0.153 nan 8.360 nan 0.000 0.454 201 M N 0.483 120.092 119.600 0.015 0.000 2.099 201 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 201 M C 1.891 178.204 176.300 0.021 0.000 1.067 201 M CA 1.227 56.537 55.300 0.017 0.000 1.124 201 M CB -0.137 32.481 32.600 0.031 0.000 1.353 201 M HN 0.045 nan 8.290 nan 0.000 0.410 202 L N 0.228 121.469 121.223 0.030 0.000 2.043 202 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 202 L C 2.385 179.254 176.870 -0.002 0.000 1.075 202 L CA 1.955 56.800 54.840 0.009 0.000 0.752 202 L CB -1.660 40.401 42.059 0.002 0.000 0.891 202 L HN 0.395 nan 8.230 nan 0.000 0.432 203 E N -0.392 119.807 120.200 -0.000 0.000 2.047 203 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 203 E C 2.364 178.963 176.600 -0.002 0.000 0.987 203 E CA 0.947 57.343 56.400 -0.007 0.000 0.799 203 E CB -0.167 29.527 29.700 -0.010 0.000 0.752 203 E HN 0.375 nan 8.360 nan 0.000 0.449 204 L N -0.191 121.033 121.223 0.003 0.000 2.017 204 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 204 L C 2.463 179.340 176.870 0.010 0.000 1.073 204 L CA 1.168 56.014 54.840 0.010 0.000 0.745 204 L CB -0.640 41.427 42.059 0.013 0.000 0.894 204 L HN 0.189 nan 8.230 nan 0.000 0.432 205 A N 0.043 122.868 122.820 0.008 0.000 1.986 205 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 205 A C 2.429 180.013 177.584 0.000 0.000 1.171 205 A CA 1.826 53.866 52.037 0.005 0.000 0.640 205 A CB -0.600 18.400 19.000 0.001 0.000 0.811 205 A HN 0.444 nan 8.150 nan 0.000 0.451 206 A N -1.403 121.414 122.820 -0.004 0.000 2.067 206 A HA 0.282 4.602 4.320 -0.000 0.000 0.217 206 A C 1.406 178.989 177.584 -0.000 0.000 1.156 206 A CA 1.498 53.531 52.037 -0.007 0.000 0.683 206 A CB -0.021 18.971 19.000 -0.015 0.000 0.808 206 A HN 0.557 nan 8.150 nan 0.000 0.455 207 V N -1.968 117.950 119.914 0.006 0.000 3.199 207 V HA 0.483 4.603 4.120 -0.000 0.000 0.331 207 V C 1.051 177.155 176.094 0.017 0.000 1.446 207 V CA 0.529 62.835 62.300 0.011 0.000 1.120 207 V CB -0.042 31.787 31.823 0.011 0.000 1.051 207 V HN 0.733 nan 8.190 nan 0.000 0.495 208 G N -0.275 108.535 108.800 0.016 0.000 4.399 208 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.158 208 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.158 208 G C 0.340 175.251 174.900 0.019 0.000 1.911 208 G CA 0.310 45.421 45.100 0.018 0.000 0.926 208 G HN 0.218 nan 8.290 nan 0.000 0.292 209 S N 1.868 117.580 115.700 0.021 0.000 2.673 209 S HA 0.244 4.714 4.470 -0.000 0.000 0.308 209 S C 0.892 175.505 174.600 0.020 0.000 1.246 209 S CA 0.581 58.796 58.200 0.024 0.000 1.077 209 S CB 0.297 63.513 63.200 0.026 0.000 0.814 209 S HN 0.354 nan 8.310 nan 0.000 0.503 210 K N 5.147 125.560 120.400 0.022 0.000 2.493 210 K HA 0.215 4.534 4.320 -0.000 0.000 0.207 210 K C 1.125 177.739 176.600 0.023 0.000 1.033 210 K CA -0.078 56.221 56.287 0.021 0.000 1.161 210 K CB 0.126 32.638 32.500 0.021 0.000 0.873 210 K HN 0.625 nan 8.250 nan 0.000 0.491 211 I N 0.646 121.231 120.570 0.024 0.000 2.286 211 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 211 I C 0.427 176.555 176.117 0.018 0.000 1.104 211 I CA 1.162 62.477 61.300 0.025 0.000 1.397 211 I CB 0.108 38.124 38.000 0.026 0.000 1.072 211 I HN 0.033 nan 8.210 nan 0.000 0.417 212 L N -0.505 120.726 121.223 0.014 0.000 2.354 212 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 212 L C -0.343 176.533 176.870 0.009 0.000 1.008 212 L CA -0.854 53.993 54.840 0.012 0.000 0.819 212 L CB 1.365 43.431 42.059 0.011 0.000 1.339 212 L HN -0.202 nan 8.230 nan 0.000 0.420 213 V N 0.722 120.642 119.914 0.010 0.000 2.508 213 V HA 0.210 4.330 4.120 -0.000 0.000 0.281 213 V C 1.240 177.319 176.094 -0.025 0.000 1.041 213 V CA -0.113 62.187 62.300 0.000 0.000 1.016 213 V CB 0.554 32.384 31.823 0.011 0.000 0.984 213 V HN 0.777 nan 8.190 nan 0.000 0.478 214 L N 3.122 124.322 121.223 -0.038 0.000 2.051 214 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 214 L C 2.861 179.648 176.870 -0.139 0.000 1.076 214 L CA 2.539 57.338 54.840 -0.068 0.000 0.758 214 L CB -0.606 41.414 42.059 -0.065 0.000 0.890 214 L HN 0.885 nan 8.230 nan 0.000 0.433 215 R N 0.105 120.507 120.500 -0.164 0.000 2.112 215 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 215 R C 2.608 178.616 176.300 -0.487 0.000 1.137 215 R CA 2.215 58.114 56.100 -0.335 0.000 0.944 215 R CB -0.334 29.861 30.300 -0.175 0.000 0.857 215 R HN 0.535 nan 8.270 nan 0.000 0.435 216 S N -0.624 114.983 115.700 -0.157 0.000 2.399 216 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 216 S C 1.985 176.578 174.600 -0.013 0.000 1.022 216 S CA 1.415 59.622 58.200 0.011 0.000 0.983 216 S CB -0.306 62.933 63.200 0.066 0.000 0.803 216 S HN 0.200 nan 8.310 nan 0.000 0.480 217 V N 1.833 121.710 119.914 -0.062 0.000 2.453 217 V HA -0.039 4.081 4.120 -0.000 0.000 0.247 217 V C 2.844 178.876 176.094 -0.104 0.000 1.048 217 V CA 1.903 64.191 62.300 -0.020 0.000 1.049 217 V CB -0.953 30.877 31.823 0.011 0.000 0.672 217 V HN 0.518 nan 8.190 nan 0.000 0.457 218 E N 0.341 120.410 120.200 -0.219 0.000 2.077 218 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 218 E C 2.008 178.488 176.600 -0.201 0.000 0.989 218 E CA 1.797 58.042 56.400 -0.259 0.000 0.800 218 E CB -0.514 28.983 29.700 -0.338 0.000 0.746 218 E HN 0.716 nan 8.360 nan 0.000 0.452 219 Y N 0.015 120.291 120.300 -0.040 0.000 2.181 219 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 219 Y C 2.392 178.299 175.900 0.012 0.000 1.146 219 Y CA 0.361 58.482 58.100 0.035 0.000 1.164 219 Y CB -0.479 38.041 38.460 0.100 0.000 0.982 219 Y HN 0.155 nan 8.280 nan 0.000 0.515 220 A N 1.580 124.444 122.820 0.073 0.000 1.869 220 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 220 A C 2.221 179.478 177.584 -0.545 0.000 1.203 220 A CA 2.704 54.706 52.037 -0.059 0.000 0.638 220 A CB -0.849 18.190 19.000 0.064 0.000 0.831 220 A HN 0.620 nan 8.150 nan 0.000 0.450 221 R N -0.696 119.310 120.500 -0.824 0.000 2.119 221 R HA 0.270 4.610 4.340 -0.000 0.000 0.222 221 R C 2.185 178.140 176.300 -0.574 0.000 1.088 221 R CA 1.385 56.739 56.100 -1.243 0.000 0.984 221 R CB -0.730 29.108 30.300 -0.768 0.000 0.884 221 R HN 0.313 nan 8.270 nan 0.000 0.447 222 A N 1.325 123.931 122.820 -0.355 0.000 1.884 222 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 222 A C 0.697 177.970 177.584 -0.518 0.000 1.197 222 A CA 1.138 52.945 52.037 -0.383 0.000 0.637 222 A CB -0.656 18.139 19.000 -0.342 0.000 0.827 222 A HN 0.299 nan 8.150 nan 0.000 0.450 223 F N -1.820 118.054 119.950 -0.126 0.000 2.294 223 F HA 0.404 4.931 4.527 -0.000 0.000 0.319 223 F C 0.918 176.633 175.800 -0.141 0.000 1.107 223 F CA -0.661 57.283 58.000 -0.094 0.000 1.094 223 F CB 0.216 39.183 39.000 -0.054 0.000 1.508 223 F HN 0.066 nan 8.300 nan 0.000 0.506 224 N N 0.394 119.193 118.700 0.165 0.000 3.228 224 N HA 0.238 4.978 4.740 -0.000 0.000 0.289 224 N C -1.701 173.951 175.510 0.237 0.000 1.419 224 N CA -0.034 53.116 53.050 0.167 0.000 1.088 224 N CB 0.027 38.616 38.487 0.169 0.000 1.357 224 N HN 0.263 nan 8.380 nan 0.000 0.504 225 V N 3.296 123.354 119.914 0.241 0.000 2.304 225 V HA 0.406 4.526 4.120 -0.000 0.000 0.269 225 V C -2.023 174.289 176.094 0.365 0.000 1.036 225 V CA -1.793 60.646 62.300 0.232 0.000 0.840 225 V CB 0.992 32.901 31.823 0.144 0.000 1.036 225 V HN 0.364 nan 8.190 nan 0.000 0.466 226 P HA 0.236 nan 4.420 nan 0.000 0.268 226 P C -0.547 176.805 177.300 0.087 0.000 1.204 226 P CA 0.197 63.371 63.100 0.123 0.000 0.768 226 P CB 0.606 32.327 31.700 0.034 0.000 0.842 227 L N 3.946 125.202 121.223 0.055 0.000 2.322 227 L HA 0.707 5.047 4.340 -0.000 0.000 0.269 227 L C 0.715 177.552 176.870 -0.056 0.000 1.012 227 L CA -0.871 53.975 54.840 0.010 0.000 0.815 227 L CB 1.767 43.852 42.059 0.042 0.000 1.295 227 L HN 0.406 nan 8.230 nan 0.000 0.438 228 R N 0.404 120.846 120.500 -0.097 0.000 2.584 228 R HA 0.635 4.975 4.340 -0.000 0.000 0.276 228 R C -1.888 174.299 176.300 -0.187 0.000 1.046 228 R CA -0.826 55.197 56.100 -0.128 0.000 0.906 228 R CB 1.535 31.765 30.300 -0.118 0.000 1.215 228 R HN 0.235 nan 8.270 nan 0.000 0.449 229 V N 3.984 123.807 119.914 -0.151 0.000 2.385 229 V HA 0.461 4.581 4.120 -0.000 0.000 0.269 229 V C 0.212 176.212 176.094 -0.157 0.000 1.043 229 V CA -0.249 61.960 62.300 -0.152 0.000 0.906 229 V CB 0.550 32.325 31.823 -0.080 0.000 0.995 229 V HN 0.702 nan 8.190 nan 0.000 0.467 230 R N 2.627 122.989 120.500 -0.231 0.000 2.855 230 R HA 0.653 4.993 4.340 -0.000 0.000 0.266 230 R C -0.755 175.555 176.300 0.017 0.000 1.034 230 R CA -0.705 55.308 56.100 -0.145 0.000 0.944 230 R CB 2.164 32.307 30.300 -0.262 0.000 1.219 230 R HN 0.601 nan 8.270 nan 0.000 0.474 231 S N -0.535 115.265 115.700 0.166 0.000 2.565 231 S HA 0.172 4.641 4.470 -0.000 0.000 0.290 231 S C 0.577 175.402 174.600 0.375 0.000 1.150 231 S CA -0.617 57.739 58.200 0.260 0.000 1.058 231 S CB 1.408 64.734 63.200 0.208 0.000 1.032 231 S HN 0.591 nan 8.310 nan 0.000 0.510 232 S N 2.932 118.853 115.700 0.368 0.000 2.555 232 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 232 S C -0.168 174.424 174.600 -0.012 0.000 0.978 232 S CA 0.650 58.971 58.200 0.201 0.000 0.934 232 S CB -0.315 63.020 63.200 0.224 0.000 0.766 232 S HN 0.775 nan 8.310 nan 0.000 0.533 233 Y N 1.266 121.631 120.300 0.108 0.000 2.577 233 Y HA 0.514 5.065 4.550 0.001 0.000 0.307 233 Y C 0.288 176.231 175.900 0.070 0.000 0.940 233 Y CA -0.482 57.660 58.100 0.070 0.000 1.132 233 Y CB 0.760 39.255 38.460 0.059 0.000 1.184 233 Y HN 0.147 nan 8.280 nan 0.000 0.611 234 S N -0.999 114.799 115.700 0.164 0.000 2.552 234 S HA 0.410 4.880 4.470 -0.000 0.000 0.272 234 S C 0.178 174.837 174.600 0.099 0.000 1.150 234 S CA 0.181 58.459 58.200 0.131 0.000 0.849 234 S CB 0.326 63.609 63.200 0.138 0.000 1.113 234 S HN 0.429 nan 8.310 nan 0.000 0.458 235 N N 1.425 120.170 118.700 0.076 0.000 2.463 235 N HA 0.109 4.849 4.740 -0.000 0.000 0.181 235 N C 0.336 175.879 175.510 0.055 0.000 1.078 235 N CA 0.577 53.663 53.050 0.059 0.000 0.902 235 N CB -0.306 38.208 38.487 0.044 0.000 0.970 235 N HN 0.749 nan 8.380 nan 0.000 0.451 236 D N 0.363 120.798 120.400 0.059 0.000 2.450 236 D HA 0.033 4.673 4.640 -0.000 0.000 0.247 236 D C -1.330 174.988 176.300 0.029 0.000 1.162 236 D CA -1.485 52.539 54.000 0.040 0.000 0.879 236 D CB 1.416 42.243 40.800 0.044 0.000 1.163 236 D HN 0.125 nan 8.370 nan 0.000 0.472 237 P HA -0.043 nan 4.420 nan 0.000 0.216 237 P C 0.584 177.865 177.300 -0.033 0.000 1.150 237 P CA 1.163 64.257 63.100 -0.009 0.000 0.843 237 P CB 0.063 31.751 31.700 -0.019 0.000 0.787 238 G N -2.165 106.609 108.800 -0.043 0.000 2.615 238 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 238 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 238 G C -0.685 174.160 174.900 -0.093 0.000 1.339 238 G CA -0.373 44.685 45.100 -0.070 0.000 0.884 238 G HN 0.141 nan 8.290 nan 0.000 0.559 239 T N 1.096 115.586 114.554 -0.106 0.000 2.749 239 T HA 0.502 4.851 4.350 -0.000 0.000 0.287 239 T C 0.083 174.720 174.700 -0.104 0.000 0.970 239 T CA -0.238 61.795 62.100 -0.111 0.000 0.980 239 T CB 1.416 70.213 68.868 -0.119 0.000 0.924 239 T HN 0.896 nan 8.240 nan 0.000 0.456 240 L N 5.538 126.700 121.223 -0.102 0.000 2.313 240 L HA 0.536 4.876 4.340 -0.000 0.000 0.282 240 L C -0.420 176.370 176.870 -0.134 0.000 1.092 240 L CA -0.793 53.982 54.840 -0.108 0.000 0.831 240 L CB 0.106 42.105 42.059 -0.100 0.000 1.159 240 L HN 0.617 nan 8.230 nan 0.000 0.442 241 I N 4.968 125.452 120.570 -0.143 0.000 2.337 241 I HA 0.677 4.847 4.170 -0.000 0.000 0.285 241 I C 0.149 176.043 176.117 -0.371 0.000 1.041 241 I CA 0.569 61.746 61.300 -0.206 0.000 1.199 241 I CB 0.851 38.787 38.000 -0.107 0.000 1.370 241 I HN 0.668 nan 8.210 nan 0.000 0.470 242 A N 4.793 127.290 122.820 -0.538 0.000 2.010 242 A HA 0.627 4.947 4.320 -0.000 0.000 0.193 242 A C 1.082 178.210 177.584 -0.759 0.000 1.659 242 A CA 0.396 52.084 52.037 -0.583 0.000 1.175 242 A CB -0.605 18.243 19.000 -0.254 0.000 1.301 242 A HN 0.720 nan 8.150 nan 0.000 0.448 243 G N 0.552 109.011 108.800 -0.568 0.000 2.415 243 G HA2 0.430 4.389 3.960 -0.000 0.000 0.269 243 G HA3 0.430 4.389 3.960 -0.000 0.000 0.269 243 G C 0.101 174.847 174.900 -0.256 0.000 1.209 243 G CA 0.581 45.488 45.100 -0.321 0.000 0.835 243 G HN 0.465 nan 8.290 nan 0.000 0.534 244 S N 1.809 117.553 115.700 0.074 0.000 2.548 244 S HA 0.118 4.588 4.470 -0.000 0.000 0.277 244 S C 1.768 176.406 174.600 0.064 0.000 1.315 244 S CA -0.178 58.142 58.200 0.201 0.000 1.050 244 S CB 0.484 63.805 63.200 0.202 0.000 0.918 244 S HN 0.634 nan 8.310 nan 0.000 0.497 245 M N 3.387 123.022 119.600 0.057 0.000 2.374 245 M HA 0.115 4.595 4.480 -0.000 0.000 0.264 245 M C 1.711 178.023 176.300 0.020 0.000 1.067 245 M CA 1.865 57.177 55.300 0.020 0.000 1.103 245 M CB -1.099 31.511 32.600 0.017 0.000 1.402 245 M HN 0.675 nan 8.290 nan 0.000 0.444 246 E N 1.767 121.986 120.200 0.030 0.000 2.072 246 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 246 E C 1.362 177.973 176.600 0.019 0.000 0.985 246 E CA 1.869 58.282 56.400 0.022 0.000 0.801 246 E CB -1.090 28.623 29.700 0.022 0.000 0.750 246 E HN 0.733 nan 8.360 nan 0.000 0.452 247 D N -0.294 120.120 120.400 0.024 0.000 2.363 247 D HA 0.061 4.700 4.640 -0.000 0.000 0.220 247 D C 0.403 176.707 176.300 0.006 0.000 0.994 247 D CA -0.119 53.892 54.000 0.017 0.000 0.890 247 D CB -0.068 40.747 40.800 0.026 0.000 0.906 247 D HN 0.320 nan 8.370 nan 0.000 0.530 248 I N 2.528 123.099 120.570 0.001 0.000 2.618 248 I HA 0.033 4.203 4.170 -0.000 0.000 0.284 248 I C -1.881 174.236 176.117 -0.001 0.000 1.146 248 I CA -1.766 59.529 61.300 -0.008 0.000 1.425 248 I CB 0.098 38.090 38.000 -0.013 0.000 1.383 248 I HN -0.201 nan 8.210 nan 0.000 0.562 249 P HA 0.082 nan 4.420 nan 0.000 0.271 249 P C 1.181 178.486 177.300 0.008 0.000 1.226 249 P CA -0.349 62.752 63.100 0.002 0.000 0.765 249 P CB 0.498 32.196 31.700 -0.002 0.000 0.835 250 V N 3.362 123.288 119.914 0.019 0.000 2.233 250 V HA -0.416 3.704 4.120 -0.000 0.000 0.256 250 V C 2.079 178.194 176.094 0.034 0.000 1.069 250 V CA 2.484 64.808 62.300 0.039 0.000 1.054 250 V CB -2.068 29.786 31.823 0.051 0.000 0.664 250 V HN 0.694 nan 8.190 nan 0.000 0.453 251 E N 1.975 122.190 120.200 0.025 0.000 2.136 251 E HA -0.362 3.988 4.350 -0.000 0.000 0.208 251 E C 2.009 178.604 176.600 -0.007 0.000 1.035 251 E CA 2.651 59.057 56.400 0.011 0.000 0.838 251 E CB -0.778 28.925 29.700 0.006 0.000 0.748 251 E HN 0.790 nan 8.360 nan 0.000 0.459 252 E N 1.392 121.586 120.200 -0.011 0.000 2.427 252 E HA 0.282 4.632 4.350 -0.000 0.000 0.196 252 E C 1.267 177.848 176.600 -0.031 0.000 1.028 252 E CA 0.670 57.055 56.400 -0.025 0.000 0.864 252 E CB -0.142 29.541 29.700 -0.027 0.000 0.813 252 E HN 0.565 nan 8.360 nan 0.000 0.514 253 A N 0.807 123.615 122.820 -0.020 0.000 2.797 253 A HA 0.547 4.867 4.320 -0.000 0.000 0.296 253 A C 0.204 177.750 177.584 -0.062 0.000 1.580 253 A CA 0.107 52.129 52.037 -0.024 0.000 1.277 253 A CB -0.281 18.726 19.000 0.012 0.000 1.101 253 A HN 0.456 nan 8.150 nan 0.000 0.562 254 V N 3.307 123.176 119.914 -0.074 0.000 3.229 254 V HA 0.546 4.665 4.120 -0.000 0.000 0.310 254 V C -0.150 175.882 176.094 -0.103 0.000 1.206 254 V CA -1.067 61.173 62.300 -0.100 0.000 1.051 254 V CB 1.971 33.751 31.823 -0.073 0.000 1.183 254 V HN 0.692 nan 8.190 nan 0.000 0.466 255 L N 1.798 122.956 121.223 -0.108 0.000 2.319 255 L HA 0.308 4.648 4.340 -0.000 0.000 0.280 255 L C 1.180 177.992 176.870 -0.096 0.000 1.099 255 L CA 0.187 54.951 54.840 -0.127 0.000 0.828 255 L CB 1.259 43.211 42.059 -0.179 0.000 1.150 255 L HN 0.765 nan 8.230 nan 0.000 0.442 256 T N 1.325 115.827 114.554 -0.087 0.000 2.925 256 T HA 0.254 4.604 4.350 -0.000 0.000 0.245 256 T C 0.536 175.215 174.700 -0.036 0.000 1.025 256 T CA 0.642 62.708 62.100 -0.058 0.000 1.149 256 T CB 0.446 69.284 68.868 -0.050 0.000 0.866 256 T HN 0.800 nan 8.240 nan 0.000 0.437 257 G N -0.251 108.531 108.800 -0.031 0.000 2.559 257 G HA2 0.522 4.482 3.960 -0.000 0.000 0.291 257 G HA3 0.522 4.482 3.960 -0.000 0.000 0.291 257 G C -2.191 172.725 174.900 0.027 0.000 1.424 257 G CA -0.486 44.627 45.100 0.021 0.000 0.786 257 G HN 0.106 nan 8.290 nan 0.000 0.485 258 V N 0.315 120.279 119.914 0.082 0.000 2.483 258 V HA 0.790 4.910 4.120 -0.000 0.000 0.297 258 V C 0.281 176.419 176.094 0.073 0.000 1.027 258 V CA -0.191 62.159 62.300 0.083 0.000 0.855 258 V CB 1.103 33.005 31.823 0.131 0.000 0.995 258 V HN 1.417 nan 8.190 nan 0.000 0.424 259 A N 3.465 126.320 122.820 0.059 0.000 2.354 259 A HA 0.953 5.272 4.320 -0.000 0.000 0.321 259 A C -0.295 177.315 177.584 0.043 0.000 1.125 259 A CA -0.595 51.470 52.037 0.046 0.000 0.799 259 A CB 2.018 21.041 19.000 0.038 0.000 1.293 259 A HN 0.647 nan 8.150 nan 0.000 0.452 260 T N 0.962 115.533 114.554 0.030 0.000 2.886 260 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 260 T C -1.908 172.803 174.700 0.018 0.000 1.012 260 T CA -0.203 61.910 62.100 0.023 0.000 0.982 260 T CB 1.357 70.231 68.868 0.011 0.000 1.018 260 T HN 0.692 nan 8.240 nan 0.000 0.451 261 D N 2.092 122.502 120.400 0.017 0.000 2.736 261 D HA 0.311 4.951 4.640 -0.000 0.000 0.243 261 D C 0.028 176.332 176.300 0.007 0.000 1.304 261 D CA -0.670 53.337 54.000 0.012 0.000 0.934 261 D CB 1.161 41.970 40.800 0.015 0.000 1.382 261 D HN 0.571 nan 8.370 nan 0.000 0.571 262 K N 0.762 121.164 120.400 0.003 0.000 2.478 262 K HA 0.185 4.505 4.320 -0.000 0.000 0.205 262 K C 0.671 177.270 176.600 -0.002 0.000 1.033 262 K CA -0.305 55.980 56.287 -0.003 0.000 1.091 262 K CB 0.420 32.917 32.500 -0.004 0.000 0.844 262 K HN 0.107 nan 8.250 nan 0.000 0.507 263 S N -0.163 115.539 115.700 0.004 0.000 2.577 263 S HA 0.141 4.611 4.470 -0.000 0.000 0.219 263 S C -0.157 174.449 174.600 0.011 0.000 0.962 263 S CA -0.539 57.666 58.200 0.009 0.000 0.921 263 S CB -0.125 63.084 63.200 0.015 0.000 0.789 263 S HN 0.350 nan 8.310 nan 0.000 0.497 264 E N 0.424 120.623 120.200 -0.001 0.000 2.277 264 E HA 0.741 5.090 4.350 -0.000 0.000 0.266 264 E C -0.934 175.638 176.600 -0.047 0.000 0.901 264 E CA -0.962 55.435 56.400 -0.005 0.000 0.782 264 E CB 2.198 31.901 29.700 0.004 0.000 1.228 264 E HN 0.361 nan 8.360 nan 0.000 0.424 265 A N 1.926 124.707 122.820 -0.065 0.000 2.320 265 A HA 0.494 4.814 4.320 -0.000 0.000 0.334 265 A C -0.722 176.733 177.584 -0.214 0.000 1.147 265 A CA -0.561 51.364 52.037 -0.187 0.000 0.820 265 A CB 1.042 19.918 19.000 -0.208 0.000 1.218 265 A HN 0.473 nan 8.150 nan 0.000 0.482 266 K N 1.652 121.865 120.400 -0.312 0.000 2.265 266 K HA 0.590 4.910 4.320 -0.000 0.000 0.267 266 K C -1.553 174.796 176.600 -0.417 0.000 0.994 266 K CA -0.334 55.767 56.287 -0.310 0.000 0.860 266 K CB 1.251 33.620 32.500 -0.218 0.000 1.099 266 K HN 0.441 nan 8.250 nan 0.000 0.448 267 V N 3.110 122.659 119.914 -0.609 0.000 2.513 267 V HA 0.419 4.538 4.120 -0.000 0.000 0.299 267 V C -0.498 175.302 176.094 -0.490 0.000 1.035 267 V CA -0.620 61.320 62.300 -0.601 0.000 0.889 267 V CB 2.001 33.273 31.823 -0.918 0.000 0.988 267 V HN 0.856 nan 8.190 nan 0.000 0.440 268 T N 3.532 117.932 114.554 -0.256 0.000 2.879 268 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 268 T C -0.687 173.931 174.700 -0.137 0.000 0.993 268 T CA -0.406 61.600 62.100 -0.157 0.000 0.975 268 T CB 1.709 70.513 68.868 -0.106 0.000 0.981 268 T HN 0.318 nan 8.240 nan 0.000 0.439 269 V N 4.921 124.741 119.914 -0.157 0.000 2.384 269 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 269 V C -0.228 175.785 176.094 -0.135 0.000 1.020 269 V CA -0.756 61.394 62.300 -0.249 0.000 0.850 269 V CB 1.180 32.680 31.823 -0.539 0.000 0.987 269 V HN 0.717 nan 8.190 nan 0.000 0.436 270 L N 3.605 124.799 121.223 -0.047 0.000 2.334 270 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 270 L C 1.116 178.042 176.870 0.094 0.000 1.036 270 L CA -0.254 54.599 54.840 0.023 0.000 0.807 270 L CB 1.444 43.525 42.059 0.037 0.000 1.231 270 L HN 0.870 nan 8.230 nan 0.000 0.438 271 G N 2.938 111.789 108.800 0.084 0.000 2.289 271 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.280 271 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.280 271 G C -0.299 174.697 174.900 0.160 0.000 1.089 271 G CA -0.387 44.779 45.100 0.111 0.000 0.939 271 G HN 0.426 nan 8.290 nan 0.000 0.499 272 I N 1.768 122.420 120.570 0.137 0.000 2.325 272 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 272 I C 1.304 177.492 176.117 0.119 0.000 1.019 272 I CA -0.330 61.073 61.300 0.172 0.000 1.302 272 I CB 1.382 39.448 38.000 0.110 0.000 1.401 272 I HN 0.437 nan 8.210 nan 0.000 0.485 273 S N 3.238 119.010 115.700 0.120 0.000 2.560 273 S HA -0.014 4.456 4.470 -0.000 0.000 0.284 273 S C 0.032 174.675 174.600 0.071 0.000 1.327 273 S CA -0.691 57.557 58.200 0.080 0.000 1.055 273 S CB 0.937 64.177 63.200 0.067 0.000 0.868 273 S HN 0.585 nan 8.310 nan 0.000 0.506 274 D N 1.865 122.297 120.400 0.054 0.000 2.608 274 D HA 0.265 4.905 4.640 -0.000 0.000 0.224 274 D C -0.458 175.868 176.300 0.042 0.000 1.123 274 D CA 0.036 54.065 54.000 0.047 0.000 1.030 274 D CB -0.453 40.369 40.800 0.037 0.000 1.093 274 D HN 0.493 nan 8.370 nan 0.000 0.497 275 K N 2.088 122.518 120.400 0.050 0.000 2.422 275 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 275 K C -2.546 174.082 176.600 0.047 0.000 0.933 275 K CA -2.099 54.214 56.287 0.044 0.000 0.798 275 K CB 2.094 34.620 32.500 0.044 0.000 1.238 275 K HN 0.058 nan 8.250 nan 0.000 0.428 276 P HA -0.027 nan 4.420 nan 0.000 0.265 276 P C 0.541 177.869 177.300 0.047 0.000 1.187 276 P CA 0.921 64.045 63.100 0.039 0.000 0.766 276 P CB 0.508 32.225 31.700 0.029 0.000 0.820 277 G N 2.017 110.850 108.800 0.056 0.000 2.199 277 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 277 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 277 G C 1.129 176.080 174.900 0.086 0.000 0.982 277 G CA -0.010 45.128 45.100 0.063 0.000 0.632 277 G HN 0.503 nan 8.290 nan 0.000 0.529 278 E N 0.402 120.659 120.200 0.095 0.000 2.072 278 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 278 E C 2.883 179.564 176.600 0.135 0.000 0.982 278 E CA 1.355 57.834 56.400 0.132 0.000 0.803 278 E CB -0.559 29.219 29.700 0.131 0.000 0.755 278 E HN 0.819 nan 8.360 nan 0.000 0.453 279 A N 1.578 124.472 122.820 0.123 0.000 1.933 279 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 279 A C 2.406 180.116 177.584 0.210 0.000 1.175 279 A CA 1.881 54.019 52.037 0.169 0.000 0.628 279 A CB -0.505 18.614 19.000 0.199 0.000 0.814 279 A HN 0.251 nan 8.150 nan 0.000 0.444 280 A N -0.486 122.428 122.820 0.156 0.000 1.972 280 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 280 A C 2.077 179.730 177.584 0.115 0.000 1.169 280 A CA 1.883 54.004 52.037 0.141 0.000 0.635 280 A CB -0.399 18.657 19.000 0.093 0.000 0.810 280 A HN 0.534 nan 8.150 nan 0.000 0.446 281 K N -0.563 119.906 120.400 0.116 0.000 2.097 281 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 281 K C 1.756 178.426 176.600 0.117 0.000 1.049 281 K CA 1.502 57.873 56.287 0.142 0.000 0.933 281 K CB -0.153 32.480 32.500 0.222 0.000 0.717 281 K HN 0.310 nan 8.250 nan 0.000 0.442 282 V N 0.033 119.912 119.914 -0.059 0.000 2.407 282 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 282 V C 1.608 177.406 176.094 -0.494 0.000 1.041 282 V CA 1.454 63.518 62.300 -0.394 0.000 1.040 282 V CB -0.336 30.951 31.823 -0.892 0.000 0.671 282 V HN 0.185 nan 8.190 nan 0.000 0.455 283 F N 0.018 119.915 119.950 -0.088 0.000 2.664 283 F HA 0.150 4.677 4.527 -0.000 0.000 0.296 283 F C 2.318 178.072 175.800 -0.077 0.000 1.125 283 F CA 0.443 58.362 58.000 -0.135 0.000 1.444 283 F CB -0.365 38.548 39.000 -0.145 0.000 1.114 283 F HN 0.024 nan 8.300 nan 0.000 0.576 284 R N 1.493 122.052 120.500 0.098 0.000 2.073 284 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 284 R C 2.126 178.448 176.300 0.036 0.000 1.120 284 R CA 1.569 57.707 56.100 0.063 0.000 0.967 284 R CB -0.997 29.338 30.300 0.060 0.000 0.862 284 R HN 0.145 nan 8.270 nan 0.000 0.436 285 A N 0.612 123.446 122.820 0.023 0.000 1.877 285 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 285 A C 2.273 179.860 177.584 0.005 0.000 1.186 285 A CA 1.640 53.692 52.037 0.024 0.000 0.620 285 A CB -0.665 18.366 19.000 0.052 0.000 0.822 285 A HN 0.349 nan 8.150 nan 0.000 0.443 286 L N -0.857 120.343 121.223 -0.038 0.000 2.093 286 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 286 L C 3.055 179.922 176.870 -0.005 0.000 1.085 286 L CA 0.916 55.730 54.840 -0.044 0.000 0.755 286 L CB -0.517 41.445 42.059 -0.161 0.000 0.904 286 L HN 0.414 nan 8.230 nan 0.000 0.435 287 A N -0.077 122.751 122.820 0.012 0.000 1.933 287 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 287 A C 1.926 179.520 177.584 0.018 0.000 1.175 287 A CA 1.981 54.029 52.037 0.018 0.000 0.628 287 A CB -0.497 18.519 19.000 0.027 0.000 0.814 287 A HN 0.343 nan 8.150 nan 0.000 0.444 288 D N 0.039 120.451 120.400 0.020 0.000 2.144 288 D HA -0.003 4.637 4.640 -0.000 0.000 0.199 288 D C 1.637 177.949 176.300 0.020 0.000 0.984 288 D CA 1.455 55.467 54.000 0.020 0.000 0.834 288 D CB -0.252 40.561 40.800 0.021 0.000 0.955 288 D HN 0.422 nan 8.370 nan 0.000 0.465 289 A N 0.274 123.107 122.820 0.022 0.000 2.476 289 A HA 0.086 4.406 4.320 -0.000 0.000 0.263 289 A C 0.367 177.967 177.584 0.028 0.000 1.342 289 A CA -0.105 51.947 52.037 0.025 0.000 0.926 289 A CB -0.536 18.482 19.000 0.030 0.000 1.019 289 A HN 0.131 nan 8.150 nan 0.000 0.515 290 E N -0.795 119.419 120.200 0.024 0.000 2.365 290 E HA -0.218 4.132 4.350 -0.000 0.000 0.237 290 E C -0.718 175.902 176.600 0.033 0.000 1.238 290 E CA 0.428 56.843 56.400 0.025 0.000 0.718 290 E CB -1.268 28.447 29.700 0.024 0.000 1.218 290 E HN 0.745 nan 8.360 nan 0.000 0.387 291 I N 1.405 121.996 120.570 0.035 0.000 2.396 291 I HA 0.035 4.205 4.170 -0.000 0.000 0.289 291 I C 0.896 177.040 176.117 0.044 0.000 1.056 291 I CA 0.086 61.419 61.300 0.055 0.000 1.365 291 I CB 0.561 38.604 38.000 0.072 0.000 1.407 291 I HN 0.058 nan 8.210 nan 0.000 0.509 292 N N 6.640 125.376 118.700 0.059 0.000 2.452 292 N HA 0.194 4.934 4.740 -0.000 0.000 0.266 292 N C -0.758 174.793 175.510 0.068 0.000 1.175 292 N CA -0.508 52.571 53.050 0.049 0.000 0.945 292 N CB 0.862 39.379 38.487 0.050 0.000 1.063 292 N HN 0.296 nan 8.380 nan 0.000 0.472 293 I N 2.158 122.744 120.570 0.027 0.000 2.354 293 I HA 0.054 4.224 4.170 -0.000 0.000 0.292 293 I C 0.995 177.129 176.117 0.028 0.000 0.989 293 I CA -0.261 61.058 61.300 0.033 0.000 1.188 293 I CB 1.560 39.514 38.000 -0.076 0.000 1.342 293 I HN 0.543 nan 8.210 nan 0.000 0.457 294 D N 5.258 125.701 120.400 0.072 0.000 2.369 294 D HA 0.132 4.772 4.640 -0.000 0.000 0.231 294 D C 0.213 176.527 176.300 0.022 0.000 0.967 294 D CA 0.861 54.883 54.000 0.038 0.000 0.905 294 D CB 0.534 41.363 40.800 0.049 0.000 1.044 294 D HN 0.406 nan 8.370 nan 0.000 0.487 295 M N 1.184 120.821 119.600 0.061 0.000 2.378 295 M HA 0.414 4.894 4.480 -0.000 0.000 0.289 295 M C -2.086 174.269 176.300 0.092 0.000 1.136 295 M CA -0.839 54.485 55.300 0.040 0.000 0.917 295 M CB 2.425 35.045 32.600 0.034 0.000 1.669 295 M HN -0.152 nan 8.290 nan 0.000 0.461 296 V N 5.784 125.720 119.914 0.035 0.000 2.709 296 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 296 V C -2.217 173.902 176.094 0.042 0.000 1.062 296 V CA -0.480 61.870 62.300 0.083 0.000 0.901 296 V CB 2.147 33.952 31.823 -0.031 0.000 1.003 296 V HN 0.908 nan 8.190 nan 0.000 0.425 297 L N 5.717 126.983 121.223 0.072 0.000 2.410 297 L HA 0.701 5.041 4.340 -0.000 0.000 0.270 297 L C -0.452 176.448 176.870 0.050 0.000 0.983 297 L CA -0.126 54.736 54.840 0.037 0.000 0.822 297 L CB 1.793 43.863 42.059 0.019 0.000 1.285 297 L HN 0.848 nan 8.230 nan 0.000 0.409 298 Q N 2.893 122.714 119.800 0.034 0.000 2.285 298 Q HA 0.503 4.843 4.340 -0.000 0.000 0.269 298 Q C -1.522 174.489 176.000 0.019 0.000 1.030 298 Q CA -0.345 55.480 55.803 0.035 0.000 0.788 298 Q CB 2.210 30.978 28.738 0.050 0.000 1.266 298 Q HN 0.808 nan 8.270 nan 0.000 0.438 299 N N 1.363 120.073 118.700 0.016 0.000 3.061 299 N HA 0.744 5.484 4.740 -0.000 0.000 0.346 299 N C -0.925 174.593 175.510 0.014 0.000 1.392 299 N CA -0.450 52.606 53.050 0.010 0.000 0.762 299 N CB 1.758 40.248 38.487 0.005 0.000 1.367 299 N HN 0.389 nan 8.380 nan 0.000 0.607 306 G N 0.337 109.151 108.800 0.023 0.000 2.187 306 G HA2 0.102 4.062 3.960 -0.000 0.000 0.261 306 G HA3 0.102 4.062 3.960 -0.000 0.000 0.261 306 G C 0.701 175.620 174.900 0.032 0.000 1.000 306 G CA 1.480 46.595 45.100 0.025 0.000 0.718 306 G HN 1.936 nan 8.290 nan 0.000 0.519 307 T N -3.519 111.056 114.554 0.035 0.000 2.916 307 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 307 T C -0.324 174.401 174.700 0.041 0.000 1.055 307 T CA 0.299 62.426 62.100 0.046 0.000 1.009 307 T CB 3.055 71.956 68.868 0.055 0.000 1.118 307 T HN 0.667 nan 8.240 nan 0.000 0.497 308 T N -0.152 114.429 114.554 0.045 0.000 2.773 308 T HA 0.576 4.925 4.350 -0.000 0.000 0.278 308 T C -1.722 172.998 174.700 0.032 0.000 1.011 308 T CA -0.675 61.447 62.100 0.035 0.000 1.014 308 T CB 1.435 70.324 68.868 0.034 0.000 1.293 308 T HN 0.755 nan 8.240 nan 0.000 0.554 309 D N 1.279 121.691 120.400 0.021 0.000 2.481 309 D HA 0.493 5.133 4.640 -0.000 0.000 0.244 309 D C -0.728 175.577 176.300 0.009 0.000 1.057 309 D CA -0.231 53.772 54.000 0.004 0.000 0.848 309 D CB 1.905 42.705 40.800 0.000 0.000 1.388 309 D HN 0.423 nan 8.370 nan 0.000 0.475 310 I N 1.185 121.748 120.570 -0.010 0.000 2.389 310 I HA 0.199 4.368 4.170 -0.000 0.000 0.288 310 I C 0.048 176.194 176.117 0.049 0.000 0.999 310 I CA -0.357 60.970 61.300 0.045 0.000 1.129 310 I CB 1.894 39.935 38.000 0.067 0.000 1.288 310 I HN 0.014 nan 8.210 nan 0.000 0.444 311 T N 6.462 121.063 114.554 0.078 0.000 2.859 311 T HA 0.694 5.044 4.350 -0.000 0.000 0.281 311 T C -0.612 174.197 174.700 0.183 0.000 1.005 311 T CA -0.327 61.796 62.100 0.040 0.000 1.025 311 T CB 1.181 70.042 68.868 -0.012 0.000 0.977 311 T HN 0.432 nan 8.240 nan 0.000 0.458 312 F N -0.693 119.284 119.950 0.045 0.000 2.685 312 F HA 0.820 5.347 4.527 -0.000 0.000 0.315 312 F C -0.803 175.020 175.800 0.038 0.000 1.126 312 F CA -0.987 57.059 58.000 0.076 0.000 0.950 312 F CB 1.468 40.590 39.000 0.203 0.000 1.360 312 F HN 0.408 nan 8.300 nan 0.000 0.469 313 T N 1.616 116.351 114.554 0.301 0.000 2.861 313 T HA 0.676 5.026 4.350 -0.000 0.000 0.287 313 T C -1.198 173.667 174.700 0.275 0.000 1.003 313 T CA -0.321 61.857 62.100 0.130 0.000 0.977 313 T CB 0.609 69.514 68.868 0.062 0.000 0.996 313 T HN 1.113 nan 8.240 nan 0.000 0.448 314 C N 3.693 123.106 119.300 0.189 0.000 3.171 314 C HA 0.861 5.321 4.460 -0.000 0.000 0.308 314 C C -2.973 172.088 174.990 0.118 0.000 1.334 314 C CA -2.614 56.531 59.018 0.212 0.000 1.473 314 C CB 1.077 29.026 27.740 0.349 0.000 1.866 314 C HN 0.530 nan 8.230 nan 0.000 0.465 315 P HA 0.207 nan 4.420 nan 0.000 0.265 315 P C 0.547 177.899 177.300 0.086 0.000 1.187 315 P CA 0.333 63.478 63.100 0.076 0.000 0.766 315 P CB 0.466 32.207 31.700 0.069 0.000 0.820 316 R N 1.766 122.306 120.500 0.067 0.000 2.117 316 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 316 R C 2.200 178.567 176.300 0.112 0.000 1.143 316 R CA 2.415 58.567 56.100 0.086 0.000 0.968 316 R CB -0.865 29.469 30.300 0.058 0.000 0.863 316 R HN 0.608 nan 8.270 nan 0.000 0.444 317 S N -0.004 115.746 115.700 0.083 0.000 2.447 317 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 317 S C 1.119 175.766 174.600 0.078 0.000 1.006 317 S CA 1.197 59.440 58.200 0.072 0.000 0.957 317 S CB -0.011 63.221 63.200 0.053 0.000 0.773 317 S HN 0.203 nan 8.310 nan 0.000 0.507 318 D N 1.852 122.311 120.400 0.098 0.000 2.249 318 D HA 0.135 4.775 4.640 -0.000 0.000 0.205 318 D C 2.158 178.545 176.300 0.145 0.000 0.962 318 D CA 0.939 55.006 54.000 0.111 0.000 0.860 318 D CB -0.883 39.992 40.800 0.125 0.000 0.955 318 D HN 0.504 nan 8.370 nan 0.000 0.505 319 G N 1.457 110.376 108.800 0.200 0.000 2.513 319 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 319 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 319 G C 1.672 176.620 174.900 0.079 0.000 1.160 319 G CA 0.700 46.001 45.100 0.336 0.000 0.767 319 G HN 0.193 nan 8.290 nan 0.000 0.571 320 R N 0.613 121.084 120.500 -0.048 0.000 2.073 320 R HA -0.014 4.326 4.340 -0.000 0.000 0.234 320 R C 2.580 178.822 176.300 -0.096 0.000 1.134 320 R CA 1.597 57.583 56.100 -0.191 0.000 0.952 320 R CB -0.472 29.764 30.300 -0.108 0.000 0.850 320 R HN 0.385 nan 8.270 nan 0.000 0.433 321 R N -0.119 120.373 120.500 -0.013 0.000 2.148 321 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 321 R C 2.110 178.436 176.300 0.043 0.000 1.088 321 R CA 1.102 57.209 56.100 0.013 0.000 0.985 321 R CB -0.147 30.171 30.300 0.029 0.000 0.880 321 R HN 0.284 nan 8.270 nan 0.000 0.451 322 A N 0.783 123.654 122.820 0.085 0.000 1.902 322 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 322 A C 2.067 179.720 177.584 0.114 0.000 1.181 322 A CA 1.186 53.318 52.037 0.157 0.000 0.623 322 A CB -0.292 18.890 19.000 0.303 0.000 0.818 322 A HN 0.224 nan 8.150 nan 0.000 0.443 323 M N -0.639 118.973 119.600 0.021 0.000 2.175 323 M HA -0.101 4.378 4.480 -0.000 0.000 0.264 323 M C 2.057 178.354 176.300 -0.005 0.000 1.063 323 M CA 1.730 57.014 55.300 -0.027 0.000 1.119 323 M CB -1.220 31.253 32.600 -0.211 0.000 1.377 323 M HN 0.724 nan 8.290 nan 0.000 0.415 324 E N 0.613 120.802 120.200 -0.018 0.000 2.051 324 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 324 E C 2.047 178.667 176.600 0.033 0.000 0.991 324 E CA 1.156 57.556 56.400 -0.001 0.000 0.799 324 E CB -0.028 29.665 29.700 -0.011 0.000 0.748 324 E HN 0.453 nan 8.360 nan 0.000 0.449 325 I N 0.516 121.115 120.570 0.049 0.000 2.127 325 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 325 I C 2.257 178.441 176.117 0.112 0.000 1.075 325 I CA 0.774 62.116 61.300 0.069 0.000 1.334 325 I CB -0.181 37.861 38.000 0.069 0.000 1.040 325 I HN 0.232 nan 8.210 nan 0.000 0.405 326 L N 0.265 121.573 121.223 0.142 0.000 2.156 326 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 326 L C 2.334 179.387 176.870 0.305 0.000 1.095 326 L CA 1.558 56.546 54.840 0.247 0.000 0.770 326 L CB -1.035 41.120 42.059 0.160 0.000 0.914 326 L HN 0.113 nan 8.230 nan 0.000 0.439 327 K N -0.123 120.380 120.400 0.171 0.000 2.097 327 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 327 K C 2.121 178.776 176.600 0.091 0.000 1.049 327 K CA 0.943 57.310 56.287 0.133 0.000 0.933 327 K CB -0.027 32.513 32.500 0.066 0.000 0.717 327 K HN 0.131 nan 8.250 nan 0.000 0.442 328 K N 0.842 121.284 120.400 0.069 0.000 2.001 328 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 328 K C 2.025 178.613 176.600 -0.019 0.000 1.050 328 K CA 1.138 57.439 56.287 0.022 0.000 0.934 328 K CB -0.476 32.037 32.500 0.022 0.000 0.718 328 K HN -0.061 nan 8.250 nan 0.000 0.443 329 L N 1.414 122.639 121.223 0.003 0.000 2.187 329 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 329 L C 2.380 178.966 176.870 -0.472 0.000 1.100 329 L CA 1.540 56.276 54.840 -0.173 0.000 0.765 329 L CB -0.790 41.243 42.059 -0.042 0.000 0.904 329 L HN 0.334 nan 8.230 nan 0.000 0.437 330 Q N -0.410 119.222 119.800 -0.280 0.000 2.096 330 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 330 Q C 2.246 178.094 176.000 -0.253 0.000 0.982 330 Q CA 2.052 57.649 55.803 -0.343 0.000 0.850 330 Q CB 0.036 28.814 28.738 0.068 0.000 0.901 330 Q HN 0.389 nan 8.270 nan 0.000 0.422 331 V N 0.842 120.667 119.914 -0.148 0.000 2.287 331 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 331 V C 0.915 176.924 176.094 -0.141 0.000 1.053 331 V CA 1.506 63.742 62.300 -0.108 0.000 1.027 331 V CB -0.482 31.300 31.823 -0.068 0.000 0.646 331 V HN 0.418 nan 8.190 nan 0.000 0.447 332 Q N 0.408 120.100 119.800 -0.181 0.000 2.392 332 Q HA 0.346 4.686 4.340 -0.000 0.000 0.262 332 Q C 1.004 176.863 176.000 -0.235 0.000 1.003 332 Q CA 0.714 56.408 55.803 -0.182 0.000 0.888 332 Q CB 0.288 28.917 28.738 -0.181 0.000 1.260 332 Q HN 0.461 nan 8.270 nan 0.000 0.435 333 G N 2.693 111.392 108.800 -0.169 0.000 2.641 333 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.278 333 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.278 333 G C -0.269 174.519 174.900 -0.186 0.000 0.655 333 G CA 0.362 45.374 45.100 -0.146 0.000 2.105 333 G HN 0.697 nan 8.290 nan 0.000 0.558 334 N N -0.729 117.794 118.700 -0.294 0.000 2.356 334 N HA 0.384 5.124 4.740 -0.000 0.000 0.110 334 N C -0.214 175.187 175.510 -0.181 0.000 1.739 334 N CA -0.951 51.875 53.050 -0.373 0.000 1.227 334 N CB 0.420 38.342 38.487 -0.942 0.000 1.075 334 N HN 0.490 nan 8.380 nan 0.000 0.322 335 W N 1.131 122.428 121.300 -0.005 0.000 2.283 335 W HA 0.381 5.041 4.660 -0.000 0.000 0.341 335 W C 1.309 177.828 176.519 0.000 0.000 1.206 335 W CA -0.570 56.774 57.345 -0.001 0.000 1.294 335 W CB -0.166 29.293 29.460 -0.002 0.000 1.154 335 W HN 0.329 nan 8.180 nan 0.000 0.613 336 T N -2.331 112.369 114.554 0.244 0.000 2.978 336 T HA 0.040 4.390 4.350 -0.000 0.000 0.262 336 T C 0.281 175.065 174.700 0.140 0.000 1.063 336 T CA 0.912 63.093 62.100 0.135 0.000 1.140 336 T CB -0.264 68.659 68.868 0.093 0.000 0.886 336 T HN 0.461 nan 8.240 nan 0.000 0.470 337 N N -0.785 118.025 118.700 0.183 0.000 2.859 337 N HA 0.437 5.177 4.740 -0.000 0.000 0.250 337 N C -2.302 173.284 175.510 0.128 0.000 1.341 337 N CA -0.493 52.642 53.050 0.142 0.000 0.881 337 N CB 2.173 40.707 38.487 0.079 0.000 1.516 337 N HN 0.193 nan 8.380 nan 0.000 0.503 338 V N 2.577 122.550 119.914 0.099 0.000 2.623 338 V HA 0.663 4.782 4.120 -0.000 0.000 0.304 338 V C -1.385 174.729 176.094 0.034 0.000 1.054 338 V CA -0.511 61.808 62.300 0.032 0.000 0.882 338 V CB 1.226 33.073 31.823 0.040 0.000 1.002 338 V HN 0.567 nan 8.190 nan 0.000 0.424 339 L N 6.063 127.288 121.223 0.004 0.000 2.330 339 L HA 0.657 4.997 4.340 -0.000 0.000 0.271 339 L C -1.254 175.653 176.870 0.061 0.000 1.013 339 L CA -0.874 53.981 54.840 0.025 0.000 0.816 339 L CB 1.983 44.034 42.059 -0.013 0.000 1.287 339 L HN 0.770 nan 8.230 nan 0.000 0.435 340 Y N 0.895 121.153 120.300 -0.069 0.000 2.442 340 Y HA 0.497 5.047 4.550 -0.001 0.000 0.344 340 Y C -1.300 174.562 175.900 -0.064 0.000 0.976 340 Y CA -0.900 57.154 58.100 -0.078 0.000 1.040 340 Y CB 1.881 40.311 38.460 -0.050 0.000 1.228 340 Y HN 0.519 nan 8.280 nan 0.000 0.451 341 D N 3.681 123.633 120.400 -0.747 0.000 2.470 341 D HA 0.185 4.825 4.640 -0.000 0.000 0.233 341 D C -1.175 174.771 176.300 -0.591 0.000 1.372 341 D CA -0.467 53.242 54.000 -0.484 0.000 0.994 341 D CB 0.900 41.539 40.800 -0.269 0.000 1.377 341 D HN 0.656 nan 8.370 nan 0.000 0.586 342 D N 1.844 121.986 120.400 -0.430 0.000 2.463 342 D HA 0.041 4.681 4.640 -0.000 0.000 0.224 342 D C 0.334 176.561 176.300 -0.122 0.000 1.174 342 D CA 0.044 53.885 54.000 -0.265 0.000 0.829 342 D CB 0.207 40.936 40.800 -0.119 0.000 0.993 342 D HN 0.386 nan 8.370 nan 0.000 0.497 343 Q N 0.552 120.283 119.800 -0.115 0.000 2.157 343 Q HA 0.187 4.526 4.340 -0.000 0.000 0.229 343 Q C 0.355 176.317 176.000 -0.064 0.000 0.827 343 Q CA -0.295 55.468 55.803 -0.066 0.000 1.055 343 Q CB 1.731 30.442 28.738 -0.046 0.000 1.157 343 Q HN 0.318 nan 8.270 nan 0.000 0.482 344 V N -1.701 118.162 119.914 -0.085 0.000 2.775 344 V HA 0.781 4.900 4.120 -0.000 0.000 0.299 344 V C 0.388 176.458 176.094 -0.041 0.000 1.062 344 V CA -0.294 61.966 62.300 -0.067 0.000 1.063 344 V CB 1.191 32.962 31.823 -0.087 0.000 0.994 344 V HN 0.160 nan 8.190 nan 0.000 0.483 345 G N 2.414 111.201 108.800 -0.023 0.000 2.591 345 G HA2 0.589 4.549 3.960 -0.000 0.000 0.306 345 G HA3 0.589 4.549 3.960 -0.000 0.000 0.306 345 G C -1.222 173.682 174.900 0.007 0.000 1.334 345 G CA -1.042 44.053 45.100 -0.007 0.000 0.981 345 G HN 1.006 nan 8.290 nan 0.000 0.491 346 K N 0.965 121.374 120.400 0.014 0.000 2.235 346 K HA 0.628 4.948 4.320 -0.000 0.000 0.266 346 K C -1.263 175.366 176.600 0.048 0.000 0.980 346 K CA -0.635 55.670 56.287 0.031 0.000 0.849 346 K CB 2.034 34.547 32.500 0.022 0.000 1.098 346 K HN 0.350 nan 8.250 nan 0.000 0.445 347 V N 3.471 123.435 119.914 0.084 0.000 2.588 347 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 347 V C -1.423 174.787 176.094 0.193 0.000 1.042 347 V CA -0.193 62.172 62.300 0.108 0.000 0.877 347 V CB 2.041 33.916 31.823 0.087 0.000 0.996 347 V HN 0.921 nan 8.190 nan 0.000 0.425 348 S N 6.280 122.080 115.700 0.167 0.000 2.570 348 S HA 0.773 5.243 4.470 -0.000 0.000 0.286 348 S C -1.275 173.441 174.600 0.193 0.000 1.099 348 S CA -0.564 57.750 58.200 0.189 0.000 0.913 348 S CB 1.847 65.095 63.200 0.081 0.000 1.085 348 S HN 0.837 nan 8.310 nan 0.000 0.480 349 L N 2.988 124.339 121.223 0.213 0.000 2.349 349 L HA 0.815 5.155 4.340 -0.000 0.000 0.278 349 L C -0.800 176.060 176.870 -0.016 0.000 0.996 349 L CA -0.663 54.220 54.840 0.072 0.000 0.825 349 L CB 1.391 43.486 42.059 0.060 0.000 1.243 349 L HN 0.597 nan 8.230 nan 0.000 0.412 350 V N 2.820 122.710 119.914 -0.040 0.000 2.715 350 V HA 1.096 5.215 4.120 -0.000 0.000 0.310 350 V C -0.343 175.708 176.094 -0.073 0.000 1.054 350 V CA 0.322 62.593 62.300 -0.049 0.000 0.928 350 V CB 1.497 33.306 31.823 -0.024 0.000 1.007 350 V HN 1.172 nan 8.190 nan 0.000 0.437 351 G N 2.777 111.535 108.800 -0.070 0.000 2.289 351 G HA2 0.612 4.572 3.960 -0.000 0.000 0.315 351 G HA3 0.612 4.572 3.960 -0.000 0.000 0.315 351 G C 0.217 175.083 174.900 -0.056 0.000 1.587 351 G CA 0.063 45.118 45.100 -0.075 0.000 0.949 351 G HN 1.635 nan 8.290 nan 0.000 0.626 352 A N 0.953 123.748 122.820 -0.041 0.000 2.032 352 A HA 0.119 4.439 4.320 -0.000 0.000 0.221 352 A C 2.594 180.171 177.584 -0.012 0.000 1.165 352 A CA 2.887 54.911 52.037 -0.021 0.000 0.645 352 A CB -0.470 18.520 19.000 -0.016 0.000 0.807 352 A HN 1.813 nan 8.150 nan 0.000 0.453 353 G N 0.100 108.871 108.800 -0.047 0.000 2.498 353 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 353 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 353 G C 1.472 176.356 174.900 -0.026 0.000 1.119 353 G CA 1.087 46.138 45.100 -0.082 0.000 0.766 353 G HN 0.795 nan 8.290 nan 0.000 0.552 354 M N -0.402 119.189 119.600 -0.014 0.000 2.558 354 M HA 0.369 4.849 4.480 -0.000 0.000 0.255 354 M C 2.064 178.403 176.300 0.065 0.000 1.113 354 M CA 1.132 56.448 55.300 0.026 0.000 1.097 354 M CB 0.015 32.598 32.600 -0.029 0.000 1.426 354 M HN 0.083 nan 8.290 nan 0.000 0.488 355 K N 1.208 121.645 120.400 0.062 0.000 2.057 355 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 355 K C 0.768 177.399 176.600 0.053 0.000 1.049 355 K CA 1.754 58.068 56.287 0.044 0.000 0.931 355 K CB 0.095 32.614 32.500 0.032 0.000 0.714 355 K HN 0.401 nan 8.250 nan 0.000 0.440 356 S N -0.320 115.438 115.700 0.096 0.000 2.663 356 S HA 0.142 4.612 4.470 -0.000 0.000 0.243 356 S C -1.134 173.391 174.600 -0.125 0.000 1.009 356 S CA -0.479 57.718 58.200 -0.004 0.000 0.988 356 S CB 0.365 63.538 63.200 -0.045 0.000 0.896 356 S HN 0.288 nan 8.310 nan 0.000 0.502 357 H N 1.100 120.174 119.070 0.007 0.000 2.685 357 H HA 0.332 4.888 4.556 -0.000 0.000 0.307 357 H C -2.082 173.261 175.328 0.025 0.000 1.017 357 H CA -1.644 54.414 56.048 0.018 0.000 1.237 357 H CB 1.017 30.795 29.762 0.026 0.000 1.409 357 H HN -0.070 nan 8.280 nan 0.000 0.488 358 P HA -0.120 nan 4.420 nan 0.000 0.227 358 P C 1.504 178.855 177.300 0.085 0.000 1.145 358 P CA 1.077 64.213 63.100 0.059 0.000 0.769 358 P CB 0.361 32.078 31.700 0.028 0.000 0.769 359 G N -0.405 108.471 108.800 0.126 0.000 2.539 359 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 359 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 359 G C 1.502 176.501 174.900 0.164 0.000 1.141 359 G CA 0.555 45.732 45.100 0.127 0.000 0.806 359 G HN 0.357 nan 8.290 nan 0.000 0.533 360 V N -0.153 119.873 119.914 0.187 0.000 2.548 360 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 360 V C 2.499 178.773 176.094 0.300 0.000 1.055 360 V CA 2.707 65.177 62.300 0.283 0.000 1.065 360 V CB -0.933 30.981 31.823 0.151 0.000 0.681 360 V HN 0.217 nan 8.190 nan 0.000 0.462 361 T N 1.445 116.098 114.554 0.165 0.000 2.708 361 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 361 T C 2.198 177.014 174.700 0.193 0.000 1.037 361 T CA 2.048 64.225 62.100 0.128 0.000 1.146 361 T CB -0.717 68.169 68.868 0.031 0.000 0.865 361 T HN 0.780 nan 8.240 nan 0.000 0.435 362 A N 1.523 124.430 122.820 0.146 0.000 1.940 362 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 362 A C 2.209 179.873 177.584 0.133 0.000 1.176 362 A CA 1.683 53.792 52.037 0.119 0.000 0.631 362 A CB -0.552 18.494 19.000 0.076 0.000 0.814 362 A HN 0.583 nan 8.150 nan 0.000 0.446 363 E N -1.460 118.838 120.200 0.163 0.000 2.072 363 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 363 E C 1.735 178.432 176.600 0.161 0.000 0.985 363 E CA 1.084 57.514 56.400 0.051 0.000 0.801 363 E CB -0.262 29.375 29.700 -0.106 0.000 0.750 363 E HN 0.717 nan 8.360 nan 0.000 0.452 364 F N 1.018 121.172 119.950 0.340 0.000 2.025 364 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 364 F C 2.361 178.243 175.800 0.137 0.000 1.132 364 F CA 1.571 59.763 58.000 0.319 0.000 1.191 364 F CB -0.078 39.057 39.000 0.224 0.000 0.963 364 F HN -0.032 nan 8.300 nan 0.000 0.481 365 M N 0.803 120.680 119.600 0.462 0.000 2.110 365 M HA -0.295 4.185 4.480 -0.000 0.000 0.257 365 M C 2.011 178.384 176.300 0.122 0.000 1.071 365 M CA 2.149 57.610 55.300 0.268 0.000 1.096 365 M CB -0.746 31.959 32.600 0.174 0.000 1.300 365 M HN 0.191 nan 8.290 nan 0.000 0.411 366 E N -0.809 119.436 120.200 0.075 0.000 2.160 366 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 366 E C 1.963 178.547 176.600 -0.026 0.000 0.991 366 E CA 1.145 57.552 56.400 0.012 0.000 0.810 366 E CB -0.279 29.413 29.700 -0.012 0.000 0.742 366 E HN 0.582 nan 8.360 nan 0.000 0.466 367 A N 0.733 123.521 122.820 -0.055 0.000 1.873 367 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 367 A C 2.025 179.563 177.584 -0.077 0.000 1.186 367 A CA 1.022 52.998 52.037 -0.101 0.000 0.616 367 A CB -0.358 18.546 19.000 -0.159 0.000 0.823 367 A HN 0.109 nan 8.150 nan 0.000 0.442 368 L N 0.068 121.250 121.223 -0.067 0.000 2.141 368 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 368 L C 2.554 179.420 176.870 -0.006 0.000 1.094 368 L CA 2.150 56.968 54.840 -0.036 0.000 0.763 368 L CB -0.999 41.059 42.059 -0.001 0.000 0.908 368 L HN 0.651 nan 8.230 nan 0.000 0.437 369 R N -0.225 120.279 120.500 0.006 0.000 2.081 369 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 369 R C 1.488 177.785 176.300 -0.006 0.000 1.131 369 R CA 1.901 58.006 56.100 0.007 0.000 0.960 369 R CB -0.441 29.867 30.300 0.014 0.000 0.856 369 R HN 0.215 nan 8.270 nan 0.000 0.436 370 D N -0.152 120.237 120.400 -0.018 0.000 2.347 370 D HA -0.017 4.623 4.640 -0.000 0.000 0.215 370 D C 0.823 177.110 176.300 -0.022 0.000 0.976 370 D CA 0.666 54.653 54.000 -0.022 0.000 0.884 370 D CB 0.524 41.304 40.800 -0.033 0.000 0.915 370 D HN 0.137 nan 8.370 nan 0.000 0.526 371 V N 0.909 120.810 119.914 -0.023 0.000 3.271 371 V HA 0.049 4.168 4.120 -0.000 0.000 0.327 371 V C 0.435 176.522 176.094 -0.013 0.000 1.389 371 V CA -0.099 62.190 62.300 -0.020 0.000 1.156 371 V CB -0.765 31.042 31.823 -0.025 0.000 1.103 371 V HN 0.134 nan 8.190 nan 0.000 0.453 372 N N 0.521 119.216 118.700 -0.008 0.000 2.735 372 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 372 N C -0.400 175.110 175.510 0.000 0.000 1.083 372 N CA 1.001 54.049 53.050 -0.003 0.000 0.703 372 N CB -0.812 37.673 38.487 -0.004 0.000 1.005 372 N HN 0.518 nan 8.380 nan 0.000 0.550 373 V N -0.084 119.832 119.914 0.003 0.000 2.483 373 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 373 V C 0.157 176.263 176.094 0.021 0.000 1.035 373 V CA -0.905 61.400 62.300 0.008 0.000 0.896 373 V CB 1.759 33.586 31.823 0.005 0.000 0.986 373 V HN 0.397 nan 8.190 nan 0.000 0.447 374 N N 4.820 123.533 118.700 0.021 0.000 2.422 374 N HA 0.445 5.185 4.740 -0.000 0.000 0.266 374 N C -0.570 174.961 175.510 0.035 0.000 1.007 374 N CA -0.424 52.641 53.050 0.025 0.000 0.941 374 N CB 0.858 39.354 38.487 0.015 0.000 1.115 374 N HN 0.767 nan 8.380 nan 0.000 0.492 375 I N 3.233 123.833 120.570 0.050 0.000 2.436 375 I HA 0.024 4.194 4.170 -0.000 0.000 0.289 375 I C 1.191 177.328 176.117 0.034 0.000 1.083 375 I CA 0.285 61.622 61.300 0.062 0.000 1.372 375 I CB 0.704 38.756 38.000 0.087 0.000 1.408 375 I HN 0.678 nan 8.210 nan 0.000 0.516 376 E N 5.386 125.600 120.200 0.025 0.000 2.166 376 E HA 0.217 4.567 4.350 -0.000 0.000 0.192 376 E C -0.092 176.508 176.600 0.001 0.000 0.967 376 E CA 0.438 56.842 56.400 0.007 0.000 0.840 376 E CB 0.664 30.362 29.700 -0.004 0.000 0.795 376 E HN 0.453 nan 8.360 nan 0.000 0.470 377 L N 0.737 121.961 121.223 0.002 0.000 2.434 377 L HA 0.476 4.816 4.340 -0.000 0.000 0.260 377 L C -1.777 175.085 176.870 -0.013 0.000 0.983 377 L CA -0.571 54.264 54.840 -0.008 0.000 0.820 377 L CB 2.297 44.347 42.059 -0.014 0.000 1.361 377 L HN -0.091 nan 8.230 nan 0.000 0.410 378 I N 2.424 122.977 120.570 -0.030 0.000 2.478 378 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 378 I C -0.672 175.406 176.117 -0.063 0.000 1.042 378 I CA -0.332 60.931 61.300 -0.062 0.000 1.067 378 I CB 1.994 39.949 38.000 -0.075 0.000 1.233 378 I HN 0.430 nan 8.210 nan 0.000 0.431 379 S N 3.849 119.503 115.700 -0.076 0.000 2.503 379 S HA 0.847 5.317 4.470 -0.000 0.000 0.301 379 S C -0.413 174.132 174.600 -0.091 0.000 1.087 379 S CA -0.318 57.844 58.200 -0.064 0.000 1.042 379 S CB 1.603 64.777 63.200 -0.043 0.000 1.043 379 S HN 0.761 nan 8.310 nan 0.000 0.489 380 T N 0.111 114.619 114.554 -0.077 0.000 2.864 380 T HA 0.815 5.165 4.350 -0.000 0.000 0.299 380 T C -0.482 174.181 174.700 -0.061 0.000 1.166 380 T CA -0.611 61.439 62.100 -0.084 0.000 1.007 380 T CB 1.338 70.152 68.868 -0.091 0.000 1.219 380 T HN 0.767 nan 8.240 nan 0.000 0.506 381 S N -0.369 115.296 115.700 -0.058 0.000 2.740 381 S HA 0.481 4.951 4.470 -0.000 0.000 0.300 381 S C 0.963 175.537 174.600 -0.042 0.000 1.147 381 S CA -0.493 57.680 58.200 -0.045 0.000 0.871 381 S CB 1.475 64.651 63.200 -0.039 0.000 1.173 381 S HN 0.974 nan 8.310 nan 0.000 0.510 382 E N -0.630 119.551 120.200 -0.032 0.000 2.171 382 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 382 E C 0.738 177.324 176.600 -0.025 0.000 0.997 382 E CA 1.426 57.811 56.400 -0.025 0.000 0.810 382 E CB -0.097 29.592 29.700 -0.018 0.000 0.738 382 E HN 0.586 nan 8.360 nan 0.000 0.467 383 I N -0.344 120.208 120.570 -0.030 0.000 4.225 383 I HA 0.183 4.353 4.170 -0.000 0.000 0.327 383 I C -0.182 175.908 176.117 -0.045 0.000 1.422 383 I CA -0.061 61.220 61.300 -0.031 0.000 1.150 383 I CB 0.791 38.779 38.000 -0.021 0.000 1.192 383 I HN -0.107 nan 8.210 nan 0.000 0.440 384 R N 0.607 121.075 120.500 -0.054 0.000 2.626 384 R HA 0.613 4.953 4.340 -0.000 0.000 0.274 384 R C -1.802 174.439 176.300 -0.097 0.000 1.031 384 R CA -0.575 55.488 56.100 -0.062 0.000 0.898 384 R CB 1.583 31.857 30.300 -0.044 0.000 1.222 384 R HN 0.009 nan 8.270 nan 0.000 0.455 385 I N 2.167 122.656 120.570 -0.134 0.000 2.433 385 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 385 I C -0.583 175.401 176.117 -0.221 0.000 1.001 385 I CA -0.557 60.578 61.300 -0.275 0.000 1.119 385 I CB 2.348 40.025 38.000 -0.539 0.000 1.289 385 I HN 0.531 nan 8.210 nan 0.000 0.438 386 S N 4.541 120.119 115.700 -0.204 0.000 2.557 386 S HA 0.604 5.074 4.470 -0.000 0.000 0.291 386 S C -1.061 173.495 174.600 -0.073 0.000 1.116 386 S CA -0.543 57.617 58.200 -0.067 0.000 0.992 386 S CB 2.363 65.545 63.200 -0.030 0.000 1.028 386 S HN 0.357 nan 8.310 nan 0.000 0.484 387 V N 4.821 124.766 119.914 0.052 0.000 2.769 387 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 387 V C -1.345 174.792 176.094 0.071 0.000 1.061 387 V CA -0.890 61.450 62.300 0.067 0.000 0.931 387 V CB 1.689 33.628 31.823 0.193 0.000 1.010 387 V HN 0.821 nan 8.190 nan 0.000 0.433 388 L N 7.136 128.381 121.223 0.037 0.000 2.295 388 L HA 0.622 4.962 4.340 -0.000 0.000 0.285 388 L C -0.142 176.743 176.870 0.025 0.000 1.035 388 L CA -0.446 54.407 54.840 0.021 0.000 0.806 388 L CB 1.439 43.495 42.059 -0.006 0.000 1.214 388 L HN 0.633 nan 8.230 nan 0.000 0.426 389 I N -0.240 120.342 120.570 0.021 0.000 3.516 389 I HA 0.580 4.750 4.170 -0.000 0.000 0.307 389 I C -0.613 175.502 176.117 -0.002 0.000 1.157 389 I CA -1.258 60.051 61.300 0.015 0.000 0.983 389 I CB 1.584 39.602 38.000 0.030 0.000 1.351 389 I HN 0.415 nan 8.210 nan 0.000 0.484 390 R N 2.094 122.591 120.500 -0.005 0.000 2.590 390 R HA 0.111 4.450 4.340 -0.000 0.000 0.274 390 R C 1.315 177.608 176.300 -0.010 0.000 1.061 390 R CA 0.202 56.294 56.100 -0.013 0.000 1.081 390 R CB -0.152 30.142 30.300 -0.011 0.000 0.984 390 R HN 0.788 nan 8.270 nan 0.000 0.448 391 E N 1.104 121.295 120.200 -0.016 0.000 2.118 391 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 391 E C 0.018 176.612 176.600 -0.010 0.000 0.992 391 E CA 1.423 57.815 56.400 -0.013 0.000 0.804 391 E CB -0.001 29.689 29.700 -0.016 0.000 0.741 391 E HN 0.418 nan 8.360 nan 0.000 0.458 392 D N 1.150 121.544 120.400 -0.010 0.000 2.263 392 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 392 D C 0.879 177.173 176.300 -0.009 0.000 0.971 392 D CA 0.957 54.952 54.000 -0.009 0.000 0.867 392 D CB -0.169 40.626 40.800 -0.009 0.000 0.929 392 D HN 0.223 nan 8.370 nan 0.000 0.492 393 D N -0.462 119.933 120.400 -0.007 0.000 2.339 393 D HA 0.003 4.643 4.640 -0.000 0.000 0.217 393 D C 1.850 178.147 176.300 -0.006 0.000 1.050 393 D CA -0.130 53.866 54.000 -0.006 0.000 0.856 393 D CB 0.277 41.075 40.800 -0.002 0.000 0.922 393 D HN 0.106 nan 8.370 nan 0.000 0.518 394 L N 0.933 122.153 121.223 -0.006 0.000 2.027 394 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 394 L C 1.431 178.295 176.870 -0.010 0.000 1.074 394 L CA 1.749 56.587 54.840 -0.003 0.000 0.745 394 L CB -0.293 41.765 42.059 -0.002 0.000 0.898 394 L HN -0.163 nan 8.230 nan 0.000 0.433 395 D N -0.328 120.063 120.400 -0.015 0.000 2.104 395 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 395 D C 2.191 178.478 176.300 -0.022 0.000 0.994 395 D CA 1.579 55.566 54.000 -0.021 0.000 0.830 395 D CB -0.246 40.540 40.800 -0.023 0.000 0.959 395 D HN 0.430 nan 8.370 nan 0.000 0.452 396 A N 0.850 123.659 122.820 -0.019 0.000 1.933 396 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 396 A C 2.285 179.855 177.584 -0.024 0.000 1.175 396 A CA 2.253 54.278 52.037 -0.020 0.000 0.628 396 A CB -0.666 18.324 19.000 -0.017 0.000 0.814 396 A HN 0.244 nan 8.150 nan 0.000 0.444 397 A N -0.130 122.675 122.820 -0.025 0.000 1.873 397 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 397 A C 2.532 180.089 177.584 -0.045 0.000 1.186 397 A CA 1.979 53.990 52.037 -0.042 0.000 0.616 397 A CB -1.106 17.874 19.000 -0.033 0.000 0.823 397 A HN 1.051 nan 8.150 nan 0.000 0.442 398 A N -0.216 122.591 122.820 -0.022 0.000 1.883 398 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 398 A C 2.206 179.802 177.584 0.021 0.000 1.186 398 A CA 2.065 54.100 52.037 -0.003 0.000 0.624 398 A CB -0.500 18.494 19.000 -0.010 0.000 0.822 398 A HN 0.482 nan 8.150 nan 0.000 0.444 399 R N -0.461 120.038 120.500 -0.001 0.000 2.094 399 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 399 R C 2.478 178.804 176.300 0.044 0.000 1.137 399 R CA 1.791 57.901 56.100 0.016 0.000 0.943 399 R CB -0.650 29.645 30.300 -0.009 0.000 0.850 399 R HN 0.537 nan 8.270 nan 0.000 0.433 400 A N 0.550 123.370 122.820 -0.000 0.000 1.851 400 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 400 A C 1.923 179.494 177.584 -0.021 0.000 1.195 400 A CA 1.286 53.308 52.037 -0.025 0.000 0.622 400 A CB -0.679 18.287 19.000 -0.056 0.000 0.831 400 A HN 0.144 nan 8.150 nan 0.000 0.444 401 L N -0.610 120.596 121.223 -0.029 0.000 1.990 401 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 401 L C 2.377 179.356 176.870 0.182 0.000 1.072 401 L CA 2.581 57.452 54.840 0.051 0.000 0.755 401 L CB -2.003 40.022 42.059 -0.056 0.000 0.889 401 L HN 0.684 nan 8.230 nan 0.000 0.432 402 H N -0.485 118.619 119.070 0.057 0.000 2.390 402 H HA -0.208 4.348 4.556 0.000 0.000 0.298 402 H C 2.340 177.702 175.328 0.056 0.000 1.106 402 H CA 2.197 58.285 56.048 0.067 0.000 1.297 402 H CB 0.246 30.027 29.762 0.032 0.000 1.375 402 H HN 0.456 nan 8.280 nan 0.000 0.509 403 E N -0.738 119.529 120.200 0.112 0.000 2.051 403 E HA -0.215 4.135 4.350 -0.000 0.000 0.189 403 E C 2.235 178.802 176.600 -0.055 0.000 0.979 403 E CA 0.786 57.206 56.400 0.033 0.000 0.803 403 E CB 0.016 29.731 29.700 0.025 0.000 0.761 403 E HN 0.393 nan 8.360 nan 0.000 0.451 404 Q N 0.359 120.092 119.800 -0.111 0.000 1.985 404 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 404 Q C -0.211 175.568 176.000 -0.370 0.000 0.996 404 Q CA 1.547 57.174 55.803 -0.292 0.000 0.851 404 Q CB -0.432 28.032 28.738 -0.456 0.000 0.921 404 Q HN 0.152 nan 8.270 nan 0.000 0.418 405 F N 1.040 120.939 119.950 -0.085 0.000 2.427 405 F HA 0.210 4.737 4.527 -0.000 0.000 0.352 405 F C 0.611 176.326 175.800 -0.142 0.000 1.100 405 F CA -0.481 57.462 58.000 -0.095 0.000 1.191 405 F CB 0.667 39.614 39.000 -0.087 0.000 1.128 405 F HN 0.024 nan 8.300 nan 0.000 0.533 406 Q N 2.694 122.508 119.800 0.024 0.000 2.800 406 Q HA 0.161 4.501 4.340 -0.000 0.000 0.261 406 Q C -0.818 175.127 176.000 -0.092 0.000 1.093 406 Q CA -0.035 55.742 55.803 -0.044 0.000 0.943 406 Q CB -0.655 28.066 28.738 -0.028 0.000 1.591 406 Q HN 0.367 nan 8.270 nan 0.000 0.429 407 L N -0.418 120.673 121.223 -0.220 0.000 2.439 407 L HA 0.345 4.685 4.340 -0.000 0.000 0.269 407 L C 1.417 178.124 176.870 -0.272 0.000 1.179 407 L CA 0.921 55.547 54.840 -0.358 0.000 0.828 407 L CB 0.479 42.089 42.059 -0.748 0.000 1.106 407 L HN 0.539 nan 8.230 nan 0.000 0.467 408 G N 1.338 110.133 108.800 -0.008 0.000 2.212 408 G HA2 0.217 4.177 3.960 -0.000 0.000 0.255 408 G HA3 0.217 4.177 3.960 -0.000 0.000 0.255 408 G C 0.606 175.540 174.900 0.056 0.000 1.062 408 G CA 0.388 45.570 45.100 0.136 0.000 0.815 408 G HN 1.460 nan 8.290 nan 0.000 0.497 409 G N 0.000 108.810 108.800 0.017 0.000 5.446 409 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 409 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 409 G CA 0.000 45.104 45.100 0.007 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925