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 2cah_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVL 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.578 176.600 -0.036 0.000 0.988 4 K CA 0.000 56.273 56.287 -0.022 0.000 0.838 4 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 5 K N 2.164 122.536 120.400 -0.046 0.000 2.234 5 K HA 0.249 4.569 4.320 -0.001 0.000 0.277 5 K C -0.810 175.734 176.600 -0.093 0.000 1.038 5 K CA -0.555 55.692 56.287 -0.067 0.000 0.888 5 K CB 1.243 33.706 32.500 -0.061 0.000 1.091 5 K HN -0.083 nan 8.250 nan 0.000 0.467 6 L N 4.284 125.429 121.223 -0.130 0.000 2.500 6 L HA 0.070 4.410 4.340 -0.001 0.000 0.272 6 L C 0.003 176.719 176.870 -0.258 0.000 1.149 6 L CA 0.832 55.555 54.840 -0.195 0.000 0.897 6 L CB 0.066 41.978 42.059 -0.246 0.000 1.178 6 L HN 0.740 nan 8.230 nan 0.000 0.473 7 T N 0.631 115.052 114.554 -0.223 0.000 2.940 7 T HA 0.733 5.083 4.350 -0.001 0.000 0.288 7 T C 0.367 174.922 174.700 -0.242 0.000 1.045 7 T CA -0.175 61.797 62.100 -0.214 0.000 1.018 7 T CB 1.205 70.006 68.868 -0.113 0.000 1.151 7 T HN 0.703 nan 8.240 nan 0.000 0.529 8 T N -1.290 113.168 114.554 -0.160 0.000 2.771 8 T HA 0.538 4.887 4.350 -0.001 0.000 0.290 8 T C 1.764 176.485 174.700 0.035 0.000 1.005 8 T CA -0.327 61.784 62.100 0.019 0.000 0.944 8 T CB 0.031 68.959 68.868 0.099 0.000 1.147 8 T HN 0.938 nan 8.240 nan 0.000 0.534 9 A N -0.204 122.652 122.820 0.060 0.000 2.121 9 A HA 0.388 4.708 4.320 -0.001 0.000 0.218 9 A C 2.199 179.800 177.584 0.028 0.000 1.154 9 A CA 1.039 53.086 52.037 0.018 0.000 0.679 9 A CB -1.130 17.866 19.000 -0.007 0.000 0.795 9 A HN 1.165 nan 8.150 nan 0.000 0.458 10 A N -2.211 120.630 122.820 0.034 0.000 2.423 10 A HA 0.482 4.801 4.320 -0.001 0.000 0.246 10 A C 1.508 179.098 177.584 0.010 0.000 1.278 10 A CA 0.962 53.015 52.037 0.026 0.000 0.903 10 A CB -0.489 18.533 19.000 0.036 0.000 0.997 10 A HN 1.670 nan 8.150 nan 0.000 0.510 11 G N -1.760 107.038 108.800 -0.004 0.000 2.218 11 G HA2 0.131 4.091 3.960 -0.001 0.000 0.216 11 G HA3 0.131 4.091 3.960 -0.001 0.000 0.216 11 G C 0.456 175.336 174.900 -0.033 0.000 0.994 11 G CA 0.037 45.126 45.100 -0.018 0.000 0.637 11 G HN 1.557 nan 8.290 nan 0.000 0.505 12 A N 1.505 124.304 122.820 -0.034 0.000 2.316 12 A HA 0.789 5.108 4.320 -0.001 0.000 0.284 12 A C -1.935 175.592 177.584 -0.095 0.000 1.115 12 A CA -1.205 50.804 52.037 -0.047 0.000 0.812 12 A CB 0.841 19.827 19.000 -0.023 0.000 1.064 12 A HN 0.171 nan 8.150 nan 0.000 0.489 13 P HA 0.227 nan 4.420 nan 0.000 0.275 13 P C -0.287 176.886 177.300 -0.212 0.000 1.227 13 P CA 0.057 63.066 63.100 -0.152 0.000 0.781 13 P CB 1.124 32.758 31.700 -0.110 0.000 0.906 14 V N 3.051 122.760 119.914 -0.342 0.000 2.370 14 V HA 0.136 4.256 4.120 -0.001 0.000 0.279 14 V C 1.003 176.918 176.094 -0.299 0.000 1.029 14 V CA -0.149 61.876 62.300 -0.458 0.000 0.870 14 V CB 1.208 32.373 31.823 -1.097 0.000 0.984 14 V HN 0.275 nan 8.190 nan 0.000 0.451 15 V N 3.781 123.580 119.914 -0.191 0.000 2.307 15 V HA 0.033 4.153 4.120 -0.001 0.000 0.245 15 V C 0.913 176.956 176.094 -0.084 0.000 1.045 15 V CA 2.274 64.510 62.300 -0.107 0.000 1.024 15 V CB -0.339 31.450 31.823 -0.056 0.000 0.651 15 V HN 1.091 nan 8.190 nan 0.000 0.449 16 D N -1.464 118.899 120.400 -0.061 0.000 2.890 16 D HA 0.191 4.830 4.640 -0.001 0.000 0.233 16 D C -0.513 175.822 176.300 0.057 0.000 1.306 16 D CA -0.361 53.638 54.000 -0.002 0.000 0.929 16 D CB 1.362 42.181 40.800 0.032 0.000 1.512 16 D HN 0.057 nan 8.370 nan 0.000 0.568 17 N N 2.803 121.538 118.700 0.060 0.000 2.238 17 N HA 0.190 4.929 4.740 -0.001 0.000 0.222 17 N C -0.268 175.346 175.510 0.173 0.000 1.133 17 N CA 0.098 53.268 53.050 0.199 0.000 0.854 17 N CB 0.193 38.760 38.487 0.132 0.000 1.041 17 N HN 0.262 nan 8.380 nan 0.000 0.510 18 N N -1.484 117.286 118.700 0.116 0.000 2.075 18 N HA 0.222 4.961 4.740 -0.001 0.000 0.226 18 N C -1.301 174.249 175.510 0.068 0.000 1.343 18 N CA -0.255 52.843 53.050 0.081 0.000 0.881 18 N CB 0.567 39.082 38.487 0.047 0.000 1.100 18 N HN 0.028 nan 8.380 nan 0.000 0.495 19 N N 0.966 119.711 118.700 0.075 0.000 2.371 19 N HA 0.270 5.009 4.740 -0.001 0.000 0.291 19 N C -0.791 174.756 175.510 0.062 0.000 1.053 19 N CA -0.412 52.668 53.050 0.051 0.000 0.870 19 N CB 2.923 41.427 38.487 0.029 0.000 1.503 19 N HN -0.145 nan 8.380 nan 0.000 0.485 20 V N -0.211 119.721 119.914 0.030 0.000 3.003 20 V HA 0.471 4.590 4.120 -0.001 0.000 0.305 20 V C 0.853 176.940 176.094 -0.011 0.000 1.078 20 V CA -0.694 61.609 62.300 0.005 0.000 1.083 20 V CB 0.617 32.368 31.823 -0.120 0.000 1.039 20 V HN 0.469 nan 8.190 nan 0.000 0.481 21 I N 2.643 123.208 120.570 -0.008 0.000 2.452 21 I HA 0.316 4.486 4.170 -0.001 0.000 0.287 21 I C 0.529 176.623 176.117 -0.038 0.000 1.079 21 I CA 0.781 62.076 61.300 -0.007 0.000 1.387 21 I CB 0.965 38.971 38.000 0.011 0.000 1.404 21 I HN 0.948 nan 8.210 nan 0.000 0.522 22 T N 4.869 119.405 114.554 -0.031 0.000 2.900 22 T HA 0.611 4.961 4.350 -0.001 0.000 0.295 22 T C -0.475 174.209 174.700 -0.026 0.000 1.044 22 T CA -0.649 61.427 62.100 -0.040 0.000 0.995 22 T CB 1.497 70.339 68.868 -0.043 0.000 1.072 22 T HN 0.611 nan 8.240 nan 0.000 0.473 23 A N 2.843 125.647 122.820 -0.026 0.000 2.805 23 A HA 0.661 4.980 4.320 -0.001 0.000 0.301 23 A C 1.090 178.664 177.584 -0.016 0.000 1.557 23 A CA 0.399 52.425 52.037 -0.018 0.000 1.254 23 A CB -1.457 17.533 19.000 -0.017 0.000 1.114 23 A HN 1.966 nan 8.150 nan 0.000 0.553 24 G N 3.631 112.424 108.800 -0.013 0.000 2.733 24 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.686 24 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.686 24 G C -1.121 173.770 174.900 -0.014 0.000 1.373 24 G CA -0.305 44.788 45.100 -0.011 0.000 0.838 24 G HN 0.486 nan 8.290 nan 0.000 0.588 25 P HA -0.143 nan 4.420 nan 0.000 0.218 25 P C 1.048 178.339 177.300 -0.015 0.000 1.146 25 P CA 1.514 64.607 63.100 -0.012 0.000 0.813 25 P CB 0.201 31.896 31.700 -0.009 0.000 0.778 26 R N -0.378 120.113 120.500 -0.015 0.000 2.668 26 R HA 0.379 4.718 4.340 -0.001 0.000 0.435 26 R C 0.379 176.667 176.300 -0.020 0.000 1.059 26 R CA -0.219 55.871 56.100 -0.017 0.000 1.073 26 R CB 0.510 30.802 30.300 -0.013 0.000 1.401 26 R HN 0.079 nan 8.270 nan 0.000 0.590 27 G N 0.882 109.668 108.800 -0.023 0.000 2.491 27 G HA2 0.436 4.395 3.960 -0.001 0.000 0.327 27 G HA3 0.436 4.395 3.960 -0.001 0.000 0.327 27 G C -2.409 172.470 174.900 -0.035 0.000 1.189 27 G CA -1.247 43.838 45.100 -0.025 0.000 0.956 27 G HN 0.008 nan 8.290 nan 0.000 0.491 28 P HA 0.030 nan 4.420 nan 0.000 0.269 28 P C -0.105 177.158 177.300 -0.061 0.000 1.217 28 P CA 0.188 63.260 63.100 -0.047 0.000 0.783 28 P CB 0.684 32.361 31.700 -0.037 0.000 0.898 29 M N 0.963 120.509 119.600 -0.089 0.000 2.235 29 M HA 0.182 4.662 4.480 -0.001 0.000 0.351 29 M C 0.225 176.474 176.300 -0.085 0.000 1.178 29 M CA -0.624 54.606 55.300 -0.117 0.000 1.143 29 M CB 0.303 32.776 32.600 -0.212 0.000 1.530 29 M HN 0.186 nan 8.290 nan 0.000 0.461 30 L N 2.221 123.404 121.223 -0.066 0.000 2.375 30 L HA 0.184 4.523 4.340 -0.001 0.000 0.271 30 L C 1.020 177.878 176.870 -0.020 0.000 1.107 30 L CA 0.328 55.148 54.840 -0.032 0.000 0.806 30 L CB 0.853 42.904 42.059 -0.014 0.000 1.146 30 L HN 0.714 nan 8.230 nan 0.000 0.447 31 L N 2.025 123.249 121.223 0.002 0.000 2.275 31 L HA -0.154 4.185 4.340 -0.001 0.000 0.215 31 L C 1.732 178.631 176.870 0.048 0.000 1.119 31 L CA 1.068 55.924 54.840 0.026 0.000 0.790 31 L CB -0.008 42.068 42.059 0.028 0.000 0.919 31 L HN 0.897 nan 8.230 nan 0.000 0.443 32 Q N -1.618 118.205 119.800 0.040 0.000 2.322 32 Q HA -0.042 4.297 4.340 -0.001 0.000 0.203 32 Q C 0.129 176.175 176.000 0.077 0.000 0.923 32 Q CA -0.108 55.728 55.803 0.055 0.000 0.949 32 Q CB -0.213 28.549 28.738 0.041 0.000 1.039 32 Q HN 0.126 nan 8.270 nan 0.000 0.496 33 D N 1.975 122.428 120.400 0.089 0.000 2.498 33 D HA -0.010 4.630 4.640 -0.001 0.000 0.229 33 D C 1.268 177.685 176.300 0.196 0.000 1.188 33 D CA -0.181 53.903 54.000 0.138 0.000 1.028 33 D CB 1.112 41.987 40.800 0.126 0.000 1.087 33 D HN 0.226 nan 8.370 nan 0.000 0.510 34 V N 2.392 122.408 119.914 0.170 0.000 2.626 34 V HA -0.110 4.010 4.120 -0.001 0.000 0.252 34 V C 2.127 178.342 176.094 0.201 0.000 1.067 34 V CA 0.773 63.171 62.300 0.163 0.000 1.081 34 V CB -1.015 30.888 31.823 0.133 0.000 0.686 34 V HN 0.604 nan 8.190 nan 0.000 0.468 35 W N 0.463 121.803 121.300 0.067 0.000 2.355 35 W HA -0.250 4.410 4.660 -0.000 0.000 0.309 35 W C 2.318 178.857 176.519 0.033 0.000 1.206 35 W CA 1.677 59.044 57.345 0.036 0.000 1.284 35 W CB -0.375 29.105 29.460 0.033 0.000 1.145 35 W HN 0.384 nan 8.180 nan 0.000 0.502 36 F N 1.569 121.430 119.950 -0.148 0.000 2.065 36 F HA -0.309 4.218 4.527 -0.001 0.000 0.298 36 F C 2.118 177.793 175.800 -0.208 0.000 1.112 36 F CA 2.080 59.941 58.000 -0.230 0.000 1.212 36 F CB -1.006 37.947 39.000 -0.079 0.000 0.975 36 F HN -0.212 nan 8.300 nan 0.000 0.476 37 L N 0.707 121.848 121.223 -0.135 0.000 2.017 37 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 37 L C 2.513 179.252 176.870 -0.218 0.000 1.073 37 L CA 2.034 56.786 54.840 -0.147 0.000 0.745 37 L CB -1.379 40.705 42.059 0.042 0.000 0.894 37 L HN 0.302 nan 8.230 nan 0.000 0.432 38 E N -0.537 119.557 120.200 -0.177 0.000 2.077 38 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 38 E C 2.258 178.671 176.600 -0.312 0.000 0.989 38 E CA 1.277 57.597 56.400 -0.134 0.000 0.800 38 E CB 0.049 29.716 29.700 -0.055 0.000 0.746 38 E HN 0.352 nan 8.360 nan 0.000 0.452 39 K N 0.026 119.972 120.400 -0.756 0.000 2.057 39 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 39 K C 2.114 178.441 176.600 -0.455 0.000 1.050 39 K CA 0.777 56.566 56.287 -0.829 0.000 0.935 39 K CB 0.064 31.759 32.500 -1.342 0.000 0.715 39 K HN 0.081 nan 8.250 nan 0.000 0.439 40 L N 0.392 121.292 121.223 -0.538 0.000 2.209 40 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 40 L C 2.285 179.092 176.870 -0.105 0.000 1.094 40 L CA 1.155 55.802 54.840 -0.322 0.000 0.790 40 L CB -0.278 41.432 42.059 -0.582 0.000 0.932 40 L HN 0.177 nan 8.230 nan 0.000 0.447 41 A N -1.165 121.567 122.820 -0.147 0.000 1.908 41 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 41 A C 2.212 179.746 177.584 -0.084 0.000 1.181 41 A CA 1.632 53.613 52.037 -0.092 0.000 0.627 41 A CB -0.790 18.158 19.000 -0.086 0.000 0.818 41 A HN 0.492 nan 8.150 nan 0.000 0.445 42 H N -2.579 116.425 119.070 -0.109 0.000 2.395 42 H HA -0.091 4.464 4.556 -0.001 0.000 0.299 42 H C 1.972 177.266 175.328 -0.057 0.000 1.070 42 H CA 1.680 57.679 56.048 -0.082 0.000 1.356 42 H CB -0.228 29.487 29.762 -0.078 0.000 1.401 42 H HN 0.648 nan 8.280 nan 0.000 0.524 43 F N 2.471 122.376 119.950 -0.075 0.000 2.186 43 F HA -0.150 4.377 4.527 -0.001 0.000 0.299 43 F C 1.620 177.361 175.800 -0.098 0.000 1.090 43 F CA 1.116 59.057 58.000 -0.099 0.000 1.307 43 F CB -0.147 38.773 39.000 -0.133 0.000 1.019 43 F HN -0.070 nan 8.300 nan 0.000 0.489 44 D N 0.420 120.664 120.400 -0.260 0.000 2.384 44 D HA -0.090 4.550 4.640 -0.001 0.000 0.222 44 D C 1.388 177.517 176.300 -0.285 0.000 0.976 44 D CA 0.863 54.662 54.000 -0.336 0.000 0.915 44 D CB -0.255 40.462 40.800 -0.139 0.000 0.896 44 D HN 0.435 nan 8.370 nan 0.000 0.523 45 R N 0.126 120.481 120.500 -0.242 0.000 2.613 45 R HA 0.177 4.517 4.340 -0.001 0.000 0.361 45 R C 1.062 177.246 176.300 -0.194 0.000 1.072 45 R CA -0.086 55.897 56.100 -0.196 0.000 1.089 45 R CB 0.549 30.743 30.300 -0.177 0.000 1.343 45 R HN 0.154 nan 8.270 nan 0.000 0.571 46 E N 0.617 120.669 120.200 -0.247 0.000 2.208 46 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 46 E C 0.906 177.375 176.600 -0.218 0.000 0.988 46 E CA 0.752 57.001 56.400 -0.251 0.000 0.828 46 E CB 0.390 29.932 29.700 -0.265 0.000 0.763 46 E HN 0.079 nan 8.360 nan 0.000 0.478 47 V N 1.111 120.934 119.914 -0.150 0.000 2.539 47 V HA 0.422 4.542 4.120 -0.001 0.000 0.292 47 V C -0.120 175.975 176.094 0.001 0.000 1.045 47 V CA -0.894 61.377 62.300 -0.048 0.000 0.945 47 V CB 0.897 32.693 31.823 -0.046 0.000 0.993 47 V HN 0.127 nan 8.190 nan 0.000 0.464 48 I N 2.700 123.325 120.570 0.093 0.000 2.947 48 I HA 0.774 4.944 4.170 -0.001 0.000 0.314 48 I C -2.406 173.720 176.117 0.015 0.000 1.028 48 I CA -2.689 58.635 61.300 0.040 0.000 1.077 48 I CB 1.179 39.229 38.000 0.084 0.000 1.274 48 I HN 0.394 nan 8.210 nan 0.000 0.485 49 P HA 0.100 nan 4.420 nan 0.000 0.268 49 P C -0.969 176.352 177.300 0.035 0.000 1.205 49 P CA -0.146 62.954 63.100 0.000 0.000 0.771 49 P CB 0.413 32.093 31.700 -0.033 0.000 0.858 50 E N 2.398 122.636 120.200 0.064 0.000 2.369 50 E HA 0.234 4.584 4.350 -0.001 0.000 0.255 50 E C -0.344 176.303 176.600 0.078 0.000 1.172 50 E CA -0.868 55.575 56.400 0.072 0.000 0.932 50 E CB 0.638 30.386 29.700 0.079 0.000 1.040 50 E HN 0.257 nan 8.360 nan 0.000 0.454 51 R N 0.916 121.464 120.500 0.079 0.000 2.623 51 R HA 0.096 4.436 4.340 -0.001 0.000 0.271 51 R C 0.733 177.085 176.300 0.086 0.000 1.043 51 R CA -0.455 55.694 56.100 0.082 0.000 1.083 51 R CB 0.514 30.871 30.300 0.095 0.000 0.974 51 R HN 0.399 nan 8.270 nan 0.000 0.436 55 A N 0.591 123.505 122.820 0.156 0.000 2.014 55 A HA -0.046 4.274 4.320 -0.001 0.000 0.218 55 A C 1.372 179.045 177.584 0.149 0.000 1.163 55 A CA 1.011 53.129 52.037 0.135 0.000 0.652 55 A CB 0.131 19.194 19.000 0.104 0.000 0.808 55 A HN 0.070 nan 8.150 nan 0.000 0.449 56 K N 0.160 120.654 120.400 0.157 0.000 2.211 56 K HA 0.548 4.868 4.320 -0.001 0.000 0.275 56 K C -0.045 176.684 176.600 0.216 0.000 1.024 56 K CA 0.606 57.001 56.287 0.180 0.000 0.887 56 K CB 0.897 33.493 32.500 0.160 0.000 1.084 56 K HN 0.296 nan 8.250 nan 0.000 0.463 57 G N 0.758 109.704 108.800 0.243 0.000 2.608 57 G HA2 0.589 4.548 3.960 -0.001 0.000 0.291 57 G HA3 0.589 4.548 3.960 -0.001 0.000 0.291 57 G C -1.496 173.568 174.900 0.273 0.000 1.425 57 G CA -0.702 44.509 45.100 0.186 0.000 0.787 57 G HN 0.536 nan 8.290 nan 0.000 0.484 58 S N -1.924 113.855 115.700 0.131 0.000 2.579 58 S HA 0.926 5.396 4.470 -0.001 0.000 0.272 58 S C -0.099 174.508 174.600 0.011 0.000 1.141 58 S CA -0.128 58.222 58.200 0.250 0.000 0.843 58 S CB 2.007 65.430 63.200 0.371 0.000 1.122 58 S HN 1.607 nan 8.310 nan 0.000 0.468 59 G N -0.248 108.566 108.800 0.023 0.000 2.727 59 G HA2 0.912 4.872 3.960 -0.001 0.000 0.289 59 G HA3 0.912 4.872 3.960 -0.001 0.000 0.289 59 G C -1.628 173.176 174.900 -0.161 0.000 1.418 59 G CA -0.232 44.681 45.100 -0.311 0.000 0.818 59 G HN 1.171 nan 8.290 nan 0.000 0.486 60 A N -1.146 121.398 122.820 -0.461 0.000 2.586 60 A HA 0.758 5.078 4.320 -0.001 0.000 0.291 60 A C -1.943 175.422 177.584 -0.366 0.000 1.062 60 A CA -0.738 51.197 52.037 -0.171 0.000 0.666 60 A CB 0.670 19.671 19.000 0.002 0.000 1.281 60 A HN 0.748 nan 8.150 nan 0.000 0.421 61 F N 0.099 120.079 119.950 0.049 0.000 2.432 61 F HA 0.771 5.298 4.527 -0.001 0.000 0.329 61 F C 1.114 176.908 175.800 -0.012 0.000 1.076 61 F CA 0.854 58.896 58.000 0.070 0.000 1.018 61 F CB 2.471 41.545 39.000 0.123 0.000 1.201 61 F HN 1.018 nan 8.300 nan 0.000 0.489 62 G N 0.007 108.917 108.800 0.184 0.000 2.650 62 G HA2 0.577 4.537 3.960 -0.001 0.000 0.310 62 G HA3 0.577 4.537 3.960 -0.001 0.000 0.310 62 G C -1.748 173.242 174.900 0.150 0.000 1.270 62 G CA -0.735 44.444 45.100 0.133 0.000 0.810 62 G HN 0.500 nan 8.290 nan 0.000 0.493 63 T N 0.227 114.891 114.554 0.183 0.000 2.886 63 T HA 0.553 4.902 4.350 -0.001 0.000 0.292 63 T C -1.684 173.180 174.700 0.273 0.000 1.012 63 T CA -0.214 62.007 62.100 0.200 0.000 0.982 63 T CB 1.903 70.849 68.868 0.129 0.000 1.018 63 T HN 0.520 nan 8.240 nan 0.000 0.451 64 F N 2.581 122.629 119.950 0.163 0.000 2.436 64 F HA 0.622 5.149 4.527 -0.001 0.000 0.340 64 F C -0.223 175.596 175.800 0.033 0.000 1.113 64 F CA -0.291 57.818 58.000 0.183 0.000 1.022 64 F CB 1.283 40.512 39.000 0.382 0.000 1.128 64 F HN 0.454 nan 8.300 nan 0.000 0.466 65 T N 5.629 119.689 114.554 -0.822 0.000 2.824 65 T HA 0.437 4.787 4.350 -0.001 0.000 0.282 65 T C -0.723 173.658 174.700 -0.533 0.000 0.993 65 T CA -0.633 61.169 62.100 -0.497 0.000 0.967 65 T CB 1.492 70.157 68.868 -0.339 0.000 0.960 65 T HN 0.366 nan 8.240 nan 0.000 0.441 66 V N 3.799 123.624 119.914 -0.148 0.000 2.555 66 V HA 0.253 4.372 4.120 -0.001 0.000 0.286 66 V C 1.561 177.714 176.094 0.099 0.000 1.044 66 V CA 0.176 62.506 62.300 0.049 0.000 1.026 66 V CB 0.904 32.866 31.823 0.232 0.000 0.981 66 V HN 1.189 nan 8.190 nan 0.000 0.480 67 T N 0.027 114.688 114.554 0.179 0.000 3.003 67 T HA 0.294 4.644 4.350 -0.001 0.000 0.261 67 T C 0.258 174.929 174.700 -0.049 0.000 1.003 67 T CA 0.034 62.217 62.100 0.137 0.000 0.917 67 T CB 0.016 69.027 68.868 0.239 0.000 1.084 67 T HN 0.669 nan 8.240 nan 0.000 0.522 68 H N 0.411 119.526 119.070 0.074 0.000 2.928 68 H HA 0.571 5.127 4.556 -0.001 0.000 0.371 68 H C -1.454 173.907 175.328 0.054 0.000 1.186 68 H CA -1.001 55.080 56.048 0.055 0.000 1.134 68 H CB 1.507 31.297 29.762 0.048 0.000 1.824 68 H HN 0.051 nan 8.280 nan 0.000 0.554 69 D N 2.342 122.821 120.400 0.131 0.000 2.347 69 D HA 0.106 4.746 4.640 -0.001 0.000 0.235 69 D C 0.470 176.815 176.300 0.075 0.000 1.149 69 D CA -0.208 53.839 54.000 0.078 0.000 0.850 69 D CB 0.636 41.456 40.800 0.034 0.000 1.061 69 D HN 0.661 nan 8.370 nan 0.000 0.487 70 I N 0.898 121.498 120.570 0.051 0.000 3.927 70 I HA 0.123 4.293 4.170 -0.001 0.000 0.332 70 I C 1.111 177.206 176.117 -0.037 0.000 1.485 70 I CA -0.517 60.811 61.300 0.047 0.000 1.131 70 I CB 0.300 38.317 38.000 0.028 0.000 1.092 70 I HN 0.014 nan 8.210 nan 0.000 0.410 71 T N 0.452 114.973 114.554 -0.055 0.000 2.869 71 T HA -0.214 4.136 4.350 -0.001 0.000 0.270 71 T C 1.746 176.350 174.700 -0.160 0.000 1.082 71 T CA 1.645 63.696 62.100 -0.081 0.000 1.123 71 T CB -0.235 68.607 68.868 -0.045 0.000 0.856 71 T HN 0.506 nan 8.240 nan 0.000 0.499 72 K N 0.152 120.376 120.400 -0.294 0.000 2.209 72 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 72 K C 1.368 177.612 176.600 -0.592 0.000 1.048 72 K CA 1.252 57.259 56.287 -0.466 0.000 0.940 72 K CB -0.101 31.976 32.500 -0.707 0.000 0.729 72 K HN 0.447 nan 8.250 nan 0.000 0.451 73 Y N -0.517 119.609 120.300 -0.289 0.000 2.503 73 Y HA 0.147 4.697 4.550 -0.001 0.000 0.277 73 Y C 0.874 176.668 175.900 -0.176 0.000 1.102 73 Y CA 0.283 58.090 58.100 -0.488 0.000 1.261 73 Y CB 0.684 38.837 38.460 -0.510 0.000 1.096 73 Y HN -0.137 nan 8.280 nan 0.000 0.546 74 T N 0.807 115.270 114.554 -0.151 0.000 2.928 74 T HA 0.301 4.651 4.350 -0.001 0.000 0.296 74 T C 0.324 174.938 174.700 -0.144 0.000 1.000 74 T CA -0.904 61.033 62.100 -0.272 0.000 0.989 74 T CB 0.896 69.217 68.868 -0.911 0.000 1.005 74 T HN 0.395 nan 8.240 nan 0.000 0.442 75 R N 2.964 123.422 120.500 -0.071 0.000 2.325 75 R HA 0.508 4.848 4.340 -0.001 0.000 0.214 75 R C 0.674 176.950 176.300 -0.040 0.000 0.961 75 R CA -0.256 55.825 56.100 -0.032 0.000 1.086 75 R CB -0.178 30.127 30.300 0.008 0.000 1.037 75 R HN 0.434 nan 8.270 nan 0.000 0.493 76 A N 1.715 124.473 122.820 -0.102 0.000 2.440 76 A HA 0.168 4.488 4.320 -0.001 0.000 0.251 76 A C 0.641 178.149 177.584 -0.127 0.000 1.089 76 A CA -0.564 51.379 52.037 -0.157 0.000 0.779 76 A CB 0.631 19.448 19.000 -0.305 0.000 1.022 76 A HN 0.211 nan 8.150 nan 0.000 0.492 77 K N 2.090 122.415 120.400 -0.124 0.000 2.147 77 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 77 K C 1.619 178.153 176.600 -0.110 0.000 1.049 77 K CA 1.280 57.523 56.287 -0.073 0.000 0.936 77 K CB -0.274 32.203 32.500 -0.039 0.000 0.722 77 K HN 0.863 nan 8.250 nan 0.000 0.446 78 I N 0.191 120.587 120.570 -0.289 0.000 2.454 78 I HA -0.245 3.925 4.170 -0.001 0.000 0.254 78 I C 0.888 176.912 176.117 -0.155 0.000 1.156 78 I CA 1.342 62.440 61.300 -0.338 0.000 1.433 78 I CB 0.100 37.676 38.000 -0.707 0.000 1.082 78 I HN -0.050 nan 8.210 nan 0.000 0.432 79 F N 0.294 120.233 119.950 -0.017 0.000 2.695 79 F HA 0.126 4.652 4.527 -0.001 0.000 0.303 79 F C 2.599 178.406 175.800 0.012 0.000 1.091 79 F CA 0.413 58.430 58.000 0.027 0.000 1.300 79 F CB -0.864 38.096 39.000 -0.067 0.000 1.071 79 F HN 0.106 nan 8.300 nan 0.000 0.578 80 S N -0.276 115.509 115.700 0.142 0.000 2.465 80 S HA -0.172 4.298 4.470 -0.001 0.000 0.241 80 S C 0.634 175.281 174.600 0.078 0.000 1.000 80 S CA 0.891 59.141 58.200 0.082 0.000 0.964 80 S CB -0.309 62.917 63.200 0.044 0.000 0.763 80 S HN 0.540 nan 8.310 nan 0.000 0.512 81 E N 0.143 120.403 120.200 0.100 0.000 2.415 81 E HA 0.343 4.693 4.350 -0.001 0.000 0.302 81 E C -1.239 175.413 176.600 0.087 0.000 0.907 81 E CA -0.584 55.861 56.400 0.075 0.000 0.798 81 E CB 1.887 31.621 29.700 0.057 0.000 1.315 81 E HN 0.071 nan 8.360 nan 0.000 0.396 82 V N 3.528 123.484 119.914 0.069 0.000 2.843 82 V HA 0.093 4.212 4.120 -0.001 0.000 0.305 82 V C 1.639 177.768 176.094 0.058 0.000 1.120 82 V CA 2.291 64.627 62.300 0.060 0.000 1.254 82 V CB 0.767 32.599 31.823 0.017 0.000 0.901 82 V HN 1.101 nan 8.190 nan 0.000 0.503 83 G N 3.282 112.122 108.800 0.066 0.000 2.234 83 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.260 83 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.260 83 G C 0.453 175.397 174.900 0.073 0.000 0.987 83 G CA 0.510 45.651 45.100 0.067 0.000 0.625 83 G HN 0.787 nan 8.290 nan 0.000 0.532 84 K N 1.269 121.722 120.400 0.088 0.000 2.412 84 K HA 0.314 4.633 4.320 -0.001 0.000 0.281 84 K C 0.089 176.758 176.600 0.115 0.000 1.027 84 K CA -0.005 56.342 56.287 0.100 0.000 0.989 84 K CB 0.232 32.800 32.500 0.115 0.000 0.935 84 K HN 0.041 nan 8.250 nan 0.000 0.475 85 K N 3.196 123.662 120.400 0.109 0.000 2.213 85 K HA 0.222 4.542 4.320 -0.001 0.000 0.270 85 K C -0.726 175.979 176.600 0.175 0.000 1.002 85 K CA -0.480 55.882 56.287 0.124 0.000 0.868 85 K CB 1.893 34.449 32.500 0.094 0.000 1.093 85 K HN 0.549 nan 8.250 nan 0.000 0.454 86 T N 2.505 117.219 114.554 0.266 0.000 2.824 86 T HA 0.192 4.541 4.350 -0.001 0.000 0.282 86 T C -0.260 174.621 174.700 0.302 0.000 0.993 86 T CA -0.873 61.390 62.100 0.272 0.000 0.967 86 T CB 1.327 70.371 68.868 0.294 0.000 0.960 86 T HN 0.467 nan 8.240 nan 0.000 0.441 87 E N 3.804 124.158 120.200 0.257 0.000 2.319 87 E HA 0.665 5.014 4.350 -0.001 0.000 0.268 87 E C -0.433 176.346 176.600 0.298 0.000 1.050 87 E CA -0.847 55.709 56.400 0.259 0.000 0.878 87 E CB 1.464 31.293 29.700 0.214 0.000 1.066 87 E HN 0.468 nan 8.360 nan 0.000 0.406 88 M N 2.294 122.018 119.600 0.207 0.000 2.644 88 M HA 0.459 4.938 4.480 -0.001 0.000 0.273 88 M C -2.199 174.107 176.300 0.011 0.000 1.253 88 M CA -0.862 54.379 55.300 -0.098 0.000 0.852 88 M CB 2.322 34.679 32.600 -0.406 0.000 1.708 88 M HN 0.724 nan 8.290 nan 0.000 0.471 89 F N 1.940 121.623 119.950 -0.445 0.000 2.532 89 F HA 0.860 5.386 4.527 -0.001 0.000 0.321 89 F C -1.361 174.020 175.800 -0.699 0.000 1.089 89 F CA -0.384 57.291 58.000 -0.542 0.000 0.926 89 F CB 1.832 40.520 39.000 -0.520 0.000 1.168 89 F HN 0.697 nan 8.300 nan 0.000 0.459 90 A N 6.187 127.976 122.820 -1.718 0.000 2.371 90 A HA 0.766 5.085 4.320 -0.001 0.000 0.311 90 A C -1.274 175.237 177.584 -1.788 0.000 1.068 90 A CA -0.845 50.202 52.037 -1.648 0.000 0.744 90 A CB 1.369 19.416 19.000 -1.588 0.000 1.239 90 A HN 0.859 nan 8.150 nan 0.000 0.435 91 R N 2.141 121.760 120.500 -1.469 0.000 2.480 91 R HA 0.636 4.976 4.340 -0.001 0.000 0.306 91 R C -1.823 173.775 176.300 -1.169 0.000 0.958 91 R CA -0.385 55.059 56.100 -1.092 0.000 0.861 91 R CB 0.807 30.782 30.300 -0.543 0.000 1.171 91 R HN 0.580 nan 8.270 nan 0.000 0.445 92 F N 1.491 120.980 119.950 -0.769 0.000 2.458 92 F HA 0.519 5.046 4.527 -0.001 0.000 0.330 92 F C 0.409 175.729 175.800 -0.801 0.000 1.082 92 F CA -0.241 57.205 58.000 -0.923 0.000 0.995 92 F CB 2.176 40.365 39.000 -1.352 0.000 1.170 92 F HN 0.553 nan 8.300 nan 0.000 0.478 93 S N -1.173 114.372 115.700 -0.259 0.000 2.625 93 S HA 0.720 5.189 4.470 -0.001 0.000 0.271 93 S C -0.488 174.319 174.600 0.345 0.000 1.161 93 S CA -0.729 57.530 58.200 0.098 0.000 0.820 93 S CB 1.485 64.796 63.200 0.186 0.000 1.137 93 S HN 0.720 nan 8.310 nan 0.000 0.470 94 T N -1.551 113.192 114.554 0.314 0.000 2.924 94 T HA 0.678 5.027 4.350 -0.001 0.000 0.301 94 T C 0.827 175.545 174.700 0.030 0.000 1.120 94 T CA -0.026 62.209 62.100 0.224 0.000 0.940 94 T CB 0.067 69.043 68.868 0.180 0.000 1.591 94 T HN 0.577 nan 8.240 nan 0.000 0.578 95 V N -0.230 119.640 119.914 -0.074 0.000 2.950 95 V HA 0.350 4.469 4.120 -0.001 0.000 0.231 95 V C 2.859 178.884 176.094 -0.116 0.000 1.205 95 V CA 0.706 62.825 62.300 -0.301 0.000 1.239 95 V CB -0.900 30.811 31.823 -0.186 0.000 1.050 95 V HN 0.993 nan 8.190 nan 0.000 0.498 96 A N 0.685 123.488 122.820 -0.027 0.000 1.898 96 A HA 0.272 4.591 4.320 -0.001 0.000 0.214 96 A C 1.631 179.224 177.584 0.015 0.000 1.183 96 A CA 1.162 53.196 52.037 -0.006 0.000 0.622 96 A CB -1.046 17.959 19.000 0.008 0.000 0.824 96 A HN 0.576 nan 8.150 nan 0.000 0.444 97 G N 0.227 109.049 108.800 0.037 0.000 2.491 97 G HA2 0.406 4.365 3.960 -0.001 0.000 0.238 97 G HA3 0.406 4.365 3.960 -0.001 0.000 0.238 97 G C -0.210 174.723 174.900 0.056 0.000 1.277 97 G CA -0.209 44.920 45.100 0.048 0.000 0.851 97 G HN 0.472 nan 8.290 nan 0.000 0.573 98 E N 0.347 120.578 120.200 0.051 0.000 2.869 98 E HA 0.291 4.641 4.350 -0.001 0.000 0.258 98 E C 1.774 178.416 176.600 0.070 0.000 1.354 98 E CA -0.657 55.777 56.400 0.057 0.000 1.065 98 E CB 0.631 30.358 29.700 0.044 0.000 1.215 98 E HN 0.466 nan 8.360 nan 0.000 0.659 99 R N -0.267 120.277 120.500 0.073 0.000 2.174 99 R HA -0.180 4.160 4.340 -0.001 0.000 0.253 99 R C 1.191 177.533 176.300 0.069 0.000 1.165 99 R CA 1.731 57.881 56.100 0.083 0.000 0.984 99 R CB -0.340 30.007 30.300 0.079 0.000 0.873 99 R HN 0.595 nan 8.270 nan 0.000 0.456 100 G N -1.738 107.094 108.800 0.053 0.000 3.596 100 G HA2 0.407 4.367 3.960 -0.001 0.000 0.274 100 G HA3 0.407 4.367 3.960 -0.001 0.000 0.274 100 G C -0.172 174.752 174.900 0.041 0.000 1.007 100 G CA 0.155 45.279 45.100 0.040 0.000 0.825 100 G HN 0.339 nan 8.290 nan 0.000 0.508 101 A N 0.444 123.295 122.820 0.051 0.000 2.310 101 A HA 0.751 5.071 4.320 -0.001 0.000 0.260 101 A C 0.976 178.592 177.584 0.052 0.000 1.112 101 A CA 0.306 52.373 52.037 0.049 0.000 0.804 101 A CB 0.177 19.209 19.000 0.054 0.000 1.081 101 A HN 1.094 nan 8.150 nan 0.000 0.499 102 A N -0.058 122.790 122.820 0.047 0.000 2.477 102 A HA 0.329 4.649 4.320 -0.001 0.000 0.246 102 A C 0.621 178.239 177.584 0.056 0.000 1.078 102 A CA 0.078 52.142 52.037 0.045 0.000 0.770 102 A CB -0.100 18.923 19.000 0.038 0.000 1.011 102 A HN 0.783 nan 8.150 nan 0.000 0.494 103 D N 2.088 122.517 120.400 0.049 0.000 2.097 103 D HA -0.021 4.619 4.640 -0.001 0.000 0.197 103 D C 1.312 177.623 176.300 0.018 0.000 0.984 103 D CA 1.979 56.005 54.000 0.044 0.000 0.826 103 D CB -0.085 40.723 40.800 0.014 0.000 0.973 103 D HN 0.648 nan 8.370 nan 0.000 0.460 104 A N 1.269 124.096 122.820 0.012 0.000 3.091 104 A HA 0.223 4.542 4.320 -0.001 0.000 0.264 104 A C 0.023 177.627 177.584 0.034 0.000 1.673 104 A CA -0.056 51.988 52.037 0.012 0.000 1.362 104 A CB -0.351 18.653 19.000 0.007 0.000 1.137 104 A HN 0.010 nan 8.150 nan 0.000 0.617 105 E N 0.216 120.446 120.200 0.050 0.000 2.235 105 E HA 0.340 4.690 4.350 -0.001 0.000 0.265 105 E C -0.131 176.515 176.600 0.077 0.000 0.940 105 E CA -1.005 55.433 56.400 0.063 0.000 0.819 105 E CB 1.729 31.471 29.700 0.069 0.000 1.206 105 E HN 0.573 nan 8.360 nan 0.000 0.409 106 R N 2.288 122.838 120.500 0.084 0.000 2.288 106 R HA 0.087 4.427 4.340 -0.001 0.000 0.330 106 R C -1.053 175.316 176.300 0.115 0.000 1.069 106 R CA 0.537 56.696 56.100 0.098 0.000 0.941 106 R CB 0.182 30.543 30.300 0.102 0.000 0.998 106 R HN 0.412 nan 8.270 nan 0.000 0.452 107 D N 3.244 123.721 120.400 0.127 0.000 2.742 107 D HA 0.170 4.810 4.640 -0.001 0.000 0.262 107 D C -0.518 175.881 176.300 0.165 0.000 1.240 107 D CA -0.603 53.484 54.000 0.145 0.000 0.752 107 D CB 1.052 41.930 40.800 0.129 0.000 1.290 107 D HN 0.406 nan 8.370 nan 0.000 0.420 108 I N 1.370 122.052 120.570 0.187 0.000 2.892 108 I HA 0.088 4.257 4.170 -0.001 0.000 0.287 108 I C 0.713 176.981 176.117 0.251 0.000 1.205 108 I CA 0.101 61.530 61.300 0.215 0.000 1.409 108 I CB 0.320 38.475 38.000 0.260 0.000 1.367 108 I HN 0.045 nan 8.210 nan 0.000 0.597 109 R N 3.505 124.186 120.500 0.302 0.000 2.514 109 R HA 0.456 4.796 4.340 -0.001 0.000 0.301 109 R C -0.187 176.346 176.300 0.388 0.000 0.962 109 R CA -0.853 55.470 56.100 0.371 0.000 0.882 109 R CB 1.469 32.032 30.300 0.438 0.000 1.143 109 R HN 0.780 nan 8.270 nan 0.000 0.452 110 G N 1.014 110.043 108.800 0.383 0.000 2.444 110 G HA2 0.392 4.352 3.960 -0.001 0.000 0.268 110 G HA3 0.392 4.352 3.960 -0.001 0.000 0.268 110 G C -1.088 173.864 174.900 0.087 0.000 1.203 110 G CA -0.179 45.050 45.100 0.215 0.000 0.835 110 G HN 0.437 nan 8.290 nan 0.000 0.543 111 F N 2.356 122.182 119.950 -0.206 0.000 2.686 111 F HA 0.587 5.114 4.527 -0.001 0.000 0.365 111 F C 0.196 175.606 175.800 -0.650 0.000 1.196 111 F CA -0.871 56.927 58.000 -0.337 0.000 1.198 111 F CB 0.974 39.876 39.000 -0.164 0.000 1.454 111 F HN 0.635 nan 8.300 nan 0.000 0.539 112 A N 5.501 127.717 122.820 -1.007 0.000 2.288 112 A HA 0.807 5.127 4.320 -0.001 0.000 0.320 112 A C -1.680 175.097 177.584 -1.345 0.000 1.217 112 A CA -0.501 50.816 52.037 -1.199 0.000 0.840 112 A CB 0.766 18.719 19.000 -1.746 0.000 1.179 112 A HN 0.453 nan 8.150 nan 0.000 0.504 113 L N 1.575 122.166 121.223 -1.053 0.000 2.362 113 L HA 0.626 4.965 4.340 -0.001 0.000 0.271 113 L C 0.086 176.456 176.870 -0.835 0.000 1.002 113 L CA -0.480 53.700 54.840 -1.101 0.000 0.818 113 L CB 1.551 42.793 42.059 -1.361 0.000 1.298 113 L HN 0.835 nan 8.230 nan 0.000 0.420 114 K N 2.233 122.114 120.400 -0.865 0.000 2.463 114 K HA 0.589 4.909 4.320 -0.001 0.000 0.255 114 K C -1.747 174.181 176.600 -1.119 0.000 0.942 114 K CA -0.357 55.458 56.287 -0.787 0.000 0.814 114 K CB 1.122 33.227 32.500 -0.659 0.000 1.122 114 K HN 0.288 nan 8.250 nan 0.000 0.425 115 F N 3.795 123.374 119.950 -0.619 0.000 2.426 115 F HA 0.319 4.846 4.527 -0.001 0.000 0.348 115 F C -0.581 175.008 175.800 -0.351 0.000 1.124 115 F CA -0.711 57.027 58.000 -0.437 0.000 1.008 115 F CB 0.942 39.792 39.000 -0.250 0.000 1.139 115 F HN 0.401 nan 8.300 nan 0.000 0.452 116 Y N 1.727 122.075 120.300 0.081 0.000 2.691 116 Y HA 0.317 4.867 4.550 -0.001 0.000 0.338 116 Y C 0.838 176.768 175.900 0.050 0.000 1.148 116 Y CA -0.945 57.173 58.100 0.029 0.000 1.430 116 Y CB 0.076 38.533 38.460 -0.005 0.000 1.303 116 Y HN 0.559 nan 8.280 nan 0.000 0.499 117 T N -2.398 112.243 114.554 0.146 0.000 2.936 117 T HA 0.300 4.650 4.350 -0.001 0.000 0.282 117 T C 0.923 175.655 174.700 0.053 0.000 1.003 117 T CA -0.769 61.378 62.100 0.078 0.000 1.005 117 T CB 1.333 70.202 68.868 0.001 0.000 1.097 117 T HN 0.548 nan 8.240 nan 0.000 0.532 118 E N -0.036 120.181 120.200 0.029 0.000 2.268 118 E HA -0.047 4.302 4.350 -0.001 0.000 0.195 118 E C 1.143 177.743 176.600 0.000 0.000 0.995 118 E CA 0.931 57.344 56.400 0.022 0.000 0.836 118 E CB 0.073 29.788 29.700 0.025 0.000 0.763 118 E HN 0.734 nan 8.360 nan 0.000 0.491 119 E N -0.200 119.979 120.200 -0.034 0.000 2.651 119 E HA 0.289 4.639 4.350 -0.001 0.000 0.208 119 E C 0.033 176.577 176.600 -0.094 0.000 0.997 119 E CA -0.178 56.168 56.400 -0.090 0.000 1.020 119 E CB 1.275 30.887 29.700 -0.147 0.000 1.052 119 E HN 0.192 nan 8.360 nan 0.000 0.465 120 G N 1.101 109.878 108.800 -0.038 0.000 2.351 120 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.353 120 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.353 120 G C -1.458 173.450 174.900 0.012 0.000 1.358 120 G CA -1.110 43.976 45.100 -0.023 0.000 0.995 120 G HN 0.112 nan 8.290 nan 0.000 0.611 121 N N -0.145 118.558 118.700 0.006 0.000 2.434 121 N HA 0.429 5.169 4.740 -0.001 0.000 0.272 121 N C -1.036 174.510 175.510 0.060 0.000 1.040 121 N CA -0.330 52.715 53.050 -0.008 0.000 0.956 121 N CB 1.348 39.787 38.487 -0.080 0.000 1.108 121 N HN 0.546 nan 8.380 nan 0.000 0.481 122 W N 3.920 125.156 121.300 -0.106 0.000 2.429 122 W HA 0.342 5.002 4.660 -0.001 0.000 0.314 122 W C -1.262 175.228 176.519 -0.048 0.000 1.062 122 W CA -0.878 56.421 57.345 -0.076 0.000 1.211 122 W CB 0.609 30.001 29.460 -0.113 0.000 1.305 122 W HN 0.374 nan 8.180 nan 0.000 0.476 123 D N 6.467 126.699 120.400 -0.280 0.000 2.308 123 D HA 0.207 4.847 4.640 -0.001 0.000 0.242 123 D C -0.433 175.486 176.300 -0.636 0.000 1.059 123 D CA -0.319 53.436 54.000 -0.409 0.000 0.830 123 D CB 1.749 42.466 40.800 -0.139 0.000 1.161 123 D HN 0.258 nan 8.370 nan 0.000 0.494 124 M N 3.773 122.899 119.600 -0.791 0.000 2.060 124 M HA 0.216 4.695 4.480 -0.001 0.000 0.342 124 M C -1.555 174.450 176.300 -0.491 0.000 1.031 124 M CA -0.832 54.043 55.300 -0.708 0.000 0.981 124 M CB 0.688 32.737 32.600 -0.919 0.000 1.376 124 M HN -0.019 nan 8.290 nan 0.000 0.397 125 V N 5.272 124.983 119.914 -0.338 0.000 2.320 125 V HA 0.653 4.773 4.120 -0.001 0.000 0.265 125 V C 0.814 176.802 176.094 -0.177 0.000 1.048 125 V CA -0.384 61.705 62.300 -0.351 0.000 0.865 125 V CB 0.243 31.841 31.823 -0.375 0.000 1.043 125 V HN 0.899 nan 8.190 nan 0.000 0.474 126 G N 3.673 112.374 108.800 -0.165 0.000 3.108 126 G HA2 0.635 4.595 3.960 -0.001 0.000 0.268 126 G HA3 0.635 4.595 3.960 -0.001 0.000 0.268 126 G C -0.967 173.969 174.900 0.060 0.000 1.361 126 G CA -0.618 44.488 45.100 0.011 0.000 1.047 126 G HN 0.478 nan 8.290 nan 0.000 0.540 127 N N -0.965 117.829 118.700 0.155 0.000 2.701 127 N HA 0.240 4.980 4.740 -0.001 0.000 0.290 127 N C 0.246 175.934 175.510 0.297 0.000 1.338 127 N CA -0.685 52.501 53.050 0.228 0.000 0.799 127 N CB 1.568 40.179 38.487 0.208 0.000 1.491 127 N HN 0.526 nan 8.380 nan 0.000 0.540 128 N N -1.280 117.618 118.700 0.329 0.000 2.314 128 N HA -0.003 4.736 4.740 -0.001 0.000 0.200 128 N C -0.276 175.487 175.510 0.423 0.000 1.135 128 N CA 0.025 53.308 53.050 0.389 0.000 0.835 128 N CB 0.108 38.809 38.487 0.357 0.000 0.989 128 N HN 0.371 nan 8.380 nan 0.000 0.478 129 T N 0.222 114.879 114.554 0.172 0.000 2.887 129 T HA 0.410 4.760 4.350 -0.001 0.000 0.288 129 T C -2.360 171.997 174.700 -0.573 0.000 1.021 129 T CA -1.954 60.024 62.100 -0.202 0.000 1.000 129 T CB 2.240 71.044 68.868 -0.107 0.000 1.034 129 T HN -0.141 nan 8.240 nan 0.000 0.467 130 P HA 0.191 nan 4.420 nan 0.000 0.245 130 P C 0.329 177.358 177.300 -0.451 0.000 1.206 130 P CA 0.172 62.766 63.100 -0.843 0.000 0.781 130 P CB 0.341 31.494 31.700 -0.913 0.000 0.994 131 V N -1.512 118.165 119.914 -0.395 0.000 3.156 131 V HA 0.765 4.885 4.120 -0.001 0.000 0.310 131 V C -1.717 174.296 176.094 -0.134 0.000 1.234 131 V CA -1.031 61.083 62.300 -0.309 0.000 1.065 131 V CB 2.547 34.039 31.823 -0.552 0.000 1.088 131 V HN -0.101 nan 8.190 nan 0.000 0.451 132 F N 0.179 119.965 119.950 -0.274 0.000 2.804 132 F HA 0.569 5.095 4.527 -0.001 0.000 0.323 132 F C -0.132 175.564 175.800 -0.173 0.000 1.171 132 F CA -0.662 57.193 58.000 -0.241 0.000 0.950 132 F CB 1.332 40.287 39.000 -0.074 0.000 1.404 132 F HN 0.561 nan 8.300 nan 0.000 0.493 133 Y N 1.337 121.292 120.300 -0.575 0.000 2.516 133 Y HA 0.265 4.815 4.550 -0.000 0.000 0.291 133 Y C 0.148 176.038 175.900 -0.018 0.000 1.131 133 Y CA 0.475 58.404 58.100 -0.285 0.000 1.281 133 Y CB -0.204 38.089 38.460 -0.279 0.000 1.013 133 Y HN 0.014 nan 8.280 nan 0.000 0.554 134 L N -1.019 120.388 121.223 0.308 0.000 2.354 134 L HA 0.508 4.847 4.340 -0.001 0.000 0.264 134 L C 0.684 177.668 176.870 0.190 0.000 1.008 134 L CA -0.905 54.106 54.840 0.284 0.000 0.819 134 L CB 2.259 44.564 42.059 0.410 0.000 1.339 134 L HN -0.258 nan 8.230 nan 0.000 0.420 135 R N -0.505 120.013 120.500 0.029 0.000 2.254 135 R HA 0.149 4.489 4.340 -0.001 0.000 0.193 135 R C -0.274 175.964 176.300 -0.104 0.000 0.929 135 R CA 0.368 56.400 56.100 -0.114 0.000 1.038 135 R CB 0.525 30.549 30.300 -0.459 0.000 1.009 135 R HN 0.594 nan 8.270 nan 0.000 0.512 136 D N -1.017 119.360 120.400 -0.038 0.000 2.780 136 D HA 0.144 4.784 4.640 -0.001 0.000 0.242 136 D C -2.102 174.279 176.300 0.135 0.000 1.135 136 D CA -2.056 51.966 54.000 0.037 0.000 0.859 136 D CB 2.463 43.287 40.800 0.040 0.000 1.530 136 D HN -0.159 nan 8.370 nan 0.000 0.493 137 P HA -0.010 nan 4.420 nan 0.000 0.225 137 P C 1.800 179.208 177.300 0.180 0.000 1.156 137 P CA 0.229 63.424 63.100 0.158 0.000 0.787 137 P CB 0.692 32.441 31.700 0.081 0.000 0.802 138 L N -0.533 120.775 121.223 0.141 0.000 2.261 138 L HA -0.111 4.229 4.340 -0.001 0.000 0.216 138 L C 2.153 179.101 176.870 0.129 0.000 1.114 138 L CA 1.200 56.112 54.840 0.120 0.000 0.777 138 L CB -0.506 41.614 42.059 0.101 0.000 0.910 138 L HN -0.087 nan 8.230 nan 0.000 0.440 139 K N -1.070 119.439 120.400 0.182 0.000 2.444 139 K HA 0.004 4.324 4.320 -0.001 0.000 0.193 139 K C 1.592 178.296 176.600 0.172 0.000 1.024 139 K CA 0.345 56.752 56.287 0.201 0.000 1.077 139 K CB -0.058 32.613 32.500 0.284 0.000 0.833 139 K HN 0.150 nan 8.250 nan 0.000 0.517 140 F N 2.467 122.457 119.950 0.068 0.000 2.163 140 F HA -0.019 4.508 4.527 -0.001 0.000 0.297 140 F C -0.976 174.763 175.800 -0.102 0.000 1.094 140 F CA 0.514 58.544 58.000 0.051 0.000 1.290 140 F CB -0.653 38.398 39.000 0.085 0.000 1.017 140 F HN 0.017 nan 8.300 nan 0.000 0.483 141 P HA -0.164 nan 4.420 nan 0.000 0.215 141 P C 1.194 178.000 177.300 -0.822 0.000 1.153 141 P CA 1.960 64.819 63.100 -0.403 0.000 0.853 141 P CB -0.063 31.481 31.700 -0.260 0.000 0.788 142 D N -0.706 119.339 120.400 -0.593 0.000 2.097 142 D HA -0.142 4.498 4.640 -0.001 0.000 0.195 142 D C 1.974 177.669 176.300 -1.007 0.000 0.989 142 D CA 0.996 54.572 54.000 -0.706 0.000 0.827 142 D CB -0.686 39.883 40.800 -0.385 0.000 0.966 142 D HN 0.070 nan 8.370 nan 0.000 0.456 143 L N 1.977 122.683 121.223 -0.863 0.000 2.012 143 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 143 L C 1.837 178.279 176.870 -0.714 0.000 1.073 143 L CA 1.654 55.966 54.840 -0.881 0.000 0.748 143 L CB -0.799 40.950 42.059 -0.518 0.000 0.891 143 L HN -0.035 nan 8.230 nan 0.000 0.431 144 N N -0.553 117.760 118.700 -0.646 0.000 2.104 144 N HA -0.282 4.458 4.740 -0.001 0.000 0.190 144 N C 1.848 177.219 175.510 -0.232 0.000 1.024 144 N CA 2.075 54.878 53.050 -0.412 0.000 0.853 144 N CB -0.375 37.910 38.487 -0.338 0.000 1.008 144 N HN 0.701 nan 8.380 nan 0.000 0.424 145 H N -0.575 118.266 119.070 -0.380 0.000 2.543 145 H HA -0.053 4.503 4.556 -0.001 0.000 0.286 145 H C 1.456 176.589 175.328 -0.324 0.000 1.037 145 H CA 1.148 57.007 56.048 -0.314 0.000 1.250 145 H CB 0.241 29.811 29.762 -0.319 0.000 1.373 145 H HN 0.437 nan 8.280 nan 0.000 0.580 146 I N -4.113 116.258 120.570 -0.332 0.000 4.181 146 I HA 0.078 4.247 4.170 -0.001 0.000 0.331 146 I C 1.533 177.510 176.117 -0.232 0.000 1.312 146 I CA 0.156 61.282 61.300 -0.290 0.000 1.146 146 I CB 0.183 37.896 38.000 -0.478 0.000 1.074 146 I HN -0.134 nan 8.210 nan 0.000 0.402 147 V N 0.806 120.563 119.914 -0.263 0.000 2.878 147 V HA 0.093 4.213 4.120 -0.001 0.000 0.250 147 V C 1.852 177.891 176.094 -0.092 0.000 1.075 147 V CA 1.419 63.614 62.300 -0.175 0.000 1.096 147 V CB -0.267 31.418 31.823 -0.231 0.000 0.724 147 V HN 0.352 nan 8.190 nan 0.000 0.467 148 K N -0.271 120.076 120.400 -0.088 0.000 3.861 148 K HA 0.420 4.739 4.320 -0.001 0.000 0.225 148 K C 0.018 176.600 176.600 -0.029 0.000 1.097 148 K CA -0.657 55.604 56.287 -0.045 0.000 1.792 148 K CB 0.277 32.753 32.500 -0.040 0.000 2.642 148 K HN 0.094 nan 8.250 nan 0.000 0.702 149 R N 1.424 121.909 120.500 -0.025 0.000 2.664 149 R HA 0.157 4.496 4.340 -0.001 0.000 0.286 149 R C -0.769 175.527 176.300 -0.005 0.000 0.967 149 R CA -0.738 55.355 56.100 -0.011 0.000 0.933 149 R CB 1.129 31.422 30.300 -0.011 0.000 1.146 149 R HN 0.495 nan 8.270 nan 0.000 0.468 150 D N 3.306 123.723 120.400 0.029 0.000 2.455 150 D HA -0.009 4.631 4.640 -0.001 0.000 0.241 150 D C -1.310 175.007 176.300 0.028 0.000 1.138 150 D CA -1.371 52.676 54.000 0.079 0.000 0.877 150 D CB 1.208 42.054 40.800 0.076 0.000 1.187 150 D HN 0.254 nan 8.370 nan 0.000 0.451 151 P HA -0.154 nan 4.420 nan 0.000 0.216 151 P C 1.208 178.501 177.300 -0.012 0.000 1.150 151 P CA 1.297 64.377 63.100 -0.034 0.000 0.837 151 P CB 0.237 31.900 31.700 -0.061 0.000 0.786 152 R N -1.242 119.267 120.500 0.015 0.000 2.195 152 R HA 0.135 4.474 4.340 -0.001 0.000 0.197 152 R C 1.952 178.255 176.300 0.006 0.000 0.990 152 R CA 0.878 56.983 56.100 0.008 0.000 1.048 152 R CB -0.928 29.381 30.300 0.016 0.000 0.997 152 R HN -0.158 nan 8.270 nan 0.000 0.502 153 T N 0.945 115.505 114.554 0.009 0.000 3.023 153 T HA -0.015 4.335 4.350 -0.001 0.000 0.266 153 T C 0.300 174.998 174.700 -0.002 0.000 1.093 153 T CA 1.071 63.170 62.100 -0.001 0.000 1.129 153 T CB -0.378 68.484 68.868 -0.010 0.000 0.899 153 T HN 0.526 nan 8.240 nan 0.000 0.491 154 N N 0.254 118.953 118.700 -0.001 0.000 2.714 154 N HA -0.162 4.578 4.740 -0.001 0.000 0.250 154 N C -0.687 174.822 175.510 -0.001 0.000 1.117 154 N CA 0.826 53.874 53.050 -0.003 0.000 0.719 154 N CB -1.226 37.259 38.487 -0.003 0.000 1.081 154 N HN 0.468 nan 8.380 nan 0.000 0.557 155 M N -0.131 119.468 119.600 -0.002 0.000 2.619 155 M HA 0.406 4.885 4.480 -0.001 0.000 0.297 155 M C 0.138 176.437 176.300 -0.001 0.000 1.229 155 M CA -0.807 54.493 55.300 -0.001 0.000 0.860 155 M CB 2.064 34.662 32.600 -0.003 0.000 1.741 155 M HN -0.102 nan 8.290 nan 0.000 0.462 156 R N 1.915 122.417 120.500 0.004 0.000 2.623 156 R HA 0.182 4.521 4.340 -0.001 0.000 0.271 156 R C -0.405 175.894 176.300 -0.002 0.000 1.043 156 R CA -0.079 56.025 56.100 0.007 0.000 1.083 156 R CB 0.105 30.416 30.300 0.018 0.000 0.974 156 R HN 0.513 nan 8.270 nan 0.000 0.436 157 N N 3.283 121.978 118.700 -0.009 0.000 2.491 157 N HA 0.087 4.827 4.740 -0.001 0.000 0.274 157 N C 0.595 176.096 175.510 -0.015 0.000 1.023 157 N CA -0.435 52.571 53.050 -0.073 0.000 0.902 157 N CB 1.225 39.573 38.487 -0.232 0.000 1.267 157 N HN 0.458 nan 8.380 nan 0.000 0.503 158 M N 1.837 121.467 119.600 0.050 0.000 2.394 158 M HA 0.015 4.495 4.480 -0.001 0.000 0.264 158 M C 1.692 178.149 176.300 0.261 0.000 1.073 158 M CA 0.630 56.055 55.300 0.208 0.000 1.111 158 M CB -1.042 31.716 32.600 0.262 0.000 1.401 158 M HN 0.626 nan 8.290 nan 0.000 0.448 159 A N -0.377 122.487 122.820 0.074 0.000 1.929 159 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 159 A C 1.835 179.547 177.584 0.214 0.000 1.176 159 A CA 1.117 53.215 52.037 0.101 0.000 0.628 159 A CB -0.633 18.332 19.000 -0.058 0.000 0.816 159 A HN 0.353 nan 8.150 nan 0.000 0.444 160 Y N 0.194 120.537 120.300 0.071 0.000 2.220 160 Y HA -0.090 4.460 4.550 -0.001 0.000 0.291 160 Y C 2.299 178.180 175.900 -0.032 0.000 1.129 160 Y CA 0.908 59.015 58.100 0.012 0.000 1.161 160 Y CB -0.857 37.576 38.460 -0.046 0.000 0.997 160 Y HN 0.400 nan 8.280 nan 0.000 0.522 161 K N -0.447 120.007 120.400 0.090 0.000 2.001 161 K HA -0.254 4.065 4.320 -0.001 0.000 0.214 161 K C 1.925 178.405 176.600 -0.199 0.000 1.050 161 K CA 2.468 58.651 56.287 -0.174 0.000 0.934 161 K CB -0.635 31.758 32.500 -0.178 0.000 0.718 161 K HN 0.296 nan 8.250 nan 0.000 0.443 162 W N 1.208 122.625 121.300 0.195 0.000 2.467 162 W HA -0.089 4.570 4.660 -0.001 0.000 0.275 162 W C 2.011 178.650 176.519 0.199 0.000 1.239 162 W CA 0.880 58.368 57.345 0.239 0.000 1.266 162 W CB -0.296 29.280 29.460 0.194 0.000 1.112 162 W HN 0.382 nan 8.180 nan 0.000 0.576 163 D N -0.137 120.473 120.400 0.351 0.000 2.123 163 D HA -0.268 4.372 4.640 -0.001 0.000 0.196 163 D C 1.856 178.323 176.300 0.278 0.000 0.992 163 D CA 1.385 55.569 54.000 0.307 0.000 0.833 163 D CB -0.479 40.481 40.800 0.267 0.000 0.954 163 D HN 0.080 nan 8.370 nan 0.000 0.455 164 F N 0.043 119.958 119.950 -0.059 0.000 2.051 164 F HA -0.112 4.414 4.527 -0.001 0.000 0.296 164 F C 1.997 177.743 175.800 -0.091 0.000 1.122 164 F CA 1.362 59.229 58.000 -0.222 0.000 1.201 164 F CB -0.728 37.969 39.000 -0.504 0.000 0.978 164 F HN -0.101 nan 8.300 nan 0.000 0.472 165 F N 1.163 121.041 119.950 -0.119 0.000 2.216 165 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 165 F C 2.961 178.693 175.800 -0.114 0.000 1.085 165 F CA 1.246 59.104 58.000 -0.237 0.000 1.326 165 F CB -1.732 37.072 39.000 -0.327 0.000 1.027 165 F HN 0.144 nan 8.300 nan 0.000 0.497 166 S N -1.018 114.816 115.700 0.224 0.000 2.440 166 S HA -0.235 4.235 4.470 -0.001 0.000 0.238 166 S C 1.311 175.861 174.600 -0.084 0.000 1.010 166 S CA 1.472 59.721 58.200 0.082 0.000 0.972 166 S CB -0.970 62.288 63.200 0.096 0.000 0.774 166 S HN 0.509 nan 8.310 nan 0.000 0.501 167 H N 0.616 119.616 119.070 -0.116 0.000 2.526 167 H HA 0.495 5.051 4.556 -0.001 0.000 0.274 167 H C -0.207 174.980 175.328 -0.235 0.000 0.999 167 H CA 0.080 56.028 56.048 -0.167 0.000 1.157 167 H CB 0.046 29.701 29.762 -0.179 0.000 1.407 167 H HN 0.330 nan 8.280 nan 0.000 0.568 168 L N 0.940 122.073 121.223 -0.150 0.000 2.481 168 L HA 0.254 4.594 4.340 -0.001 0.000 0.255 168 L C -1.985 174.736 176.870 -0.248 0.000 1.192 168 L CA -1.492 53.226 54.840 -0.203 0.000 0.924 168 L CB 2.222 44.150 42.059 -0.218 0.000 1.179 168 L HN -0.035 nan 8.230 nan 0.000 0.491 169 P HA -0.217 nan 4.420 nan 0.000 0.217 169 P C 1.342 178.364 177.300 -0.462 0.000 1.148 169 P CA 1.087 63.854 63.100 -0.555 0.000 0.828 169 P CB 0.180 31.291 31.700 -0.981 0.000 0.783 170 E N 0.488 120.458 120.200 -0.384 0.000 2.401 170 E HA -0.130 4.220 4.350 -0.001 0.000 0.199 170 E C 1.291 177.889 176.600 -0.004 0.000 1.023 170 E CA 1.494 57.879 56.400 -0.024 0.000 0.859 170 E CB -0.994 28.793 29.700 0.145 0.000 0.780 170 E HN 0.356 nan 8.360 nan 0.000 0.523 171 S N 0.403 116.076 115.700 -0.046 0.000 2.527 171 S HA 0.019 4.488 4.470 -0.001 0.000 0.222 171 S C 1.858 176.418 174.600 -0.067 0.000 0.985 171 S CA -0.102 58.082 58.200 -0.026 0.000 0.921 171 S CB -0.134 63.029 63.200 -0.061 0.000 0.772 171 S HN 0.060 nan 8.310 nan 0.000 0.529 172 L N 2.076 123.269 121.223 -0.050 0.000 2.129 172 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 172 L C 2.399 179.362 176.870 0.155 0.000 1.087 172 L CA 1.868 56.726 54.840 0.031 0.000 0.757 172 L CB -1.794 40.294 42.059 0.049 0.000 0.896 172 L HN 0.590 nan 8.230 nan 0.000 0.434 173 H N -1.584 117.492 119.070 0.011 0.000 2.363 173 H HA -0.184 4.372 4.556 -0.001 0.000 0.301 173 H C 2.321 177.622 175.328 -0.044 0.000 1.074 173 H CA 1.168 57.224 56.048 0.014 0.000 1.354 173 H CB 0.621 30.371 29.762 -0.019 0.000 1.397 173 H HN 0.229 nan 8.280 nan 0.000 0.516 174 Q N 0.829 120.582 119.800 -0.078 0.000 2.049 174 Q HA -0.065 4.274 4.340 -0.001 0.000 0.198 174 Q C 2.389 178.298 176.000 -0.151 0.000 0.971 174 Q CA 1.195 56.811 55.803 -0.312 0.000 0.833 174 Q CB -0.270 27.974 28.738 -0.824 0.000 0.896 174 Q HN 0.516 nan 8.270 nan 0.000 0.434 175 L N -0.090 121.098 121.223 -0.058 0.000 2.081 175 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 175 L C 2.220 179.231 176.870 0.235 0.000 1.080 175 L CA 1.761 56.654 54.840 0.088 0.000 0.754 175 L CB -0.874 41.232 42.059 0.077 0.000 0.893 175 L HN 0.279 nan 8.230 nan 0.000 0.433 176 T N -0.087 114.638 114.554 0.286 0.000 2.833 176 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 176 T C 1.865 176.684 174.700 0.199 0.000 1.054 176 T CA 1.158 63.461 62.100 0.339 0.000 1.135 176 T CB -0.102 68.995 68.868 0.380 0.000 0.869 176 T HN 0.262 nan 8.240 nan 0.000 0.466 177 I N 0.838 121.482 120.570 0.123 0.000 2.584 177 I HA -0.059 4.110 4.170 -0.001 0.000 0.255 177 I C 2.092 178.253 176.117 0.074 0.000 1.145 177 I CA 0.810 62.152 61.300 0.070 0.000 1.462 177 I CB -0.281 37.715 38.000 -0.006 0.000 1.102 177 I HN 0.072 nan 8.210 nan 0.000 0.433 178 D N 1.054 121.501 120.400 0.078 0.000 2.117 178 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 178 D C 2.142 178.523 176.300 0.136 0.000 0.987 178 D CA 1.292 55.357 54.000 0.109 0.000 0.829 178 D CB -0.075 40.808 40.800 0.137 0.000 0.961 178 D HN 0.172 nan 8.370 nan 0.000 0.460 179 M N 0.836 120.537 119.600 0.169 0.000 2.619 179 M HA 0.034 4.513 4.480 -0.001 0.000 0.251 179 M C 1.069 177.424 176.300 0.093 0.000 1.106 179 M CA 0.175 55.569 55.300 0.158 0.000 1.086 179 M CB -0.833 31.894 32.600 0.212 0.000 1.465 179 M HN -0.102 nan 8.290 nan 0.000 0.506 180 S N 0.193 115.940 115.700 0.078 0.000 2.626 180 S HA 0.082 4.551 4.470 -0.001 0.000 0.257 180 S C 0.846 175.461 174.600 0.025 0.000 1.288 180 S CA -0.406 57.814 58.200 0.032 0.000 0.980 180 S CB 1.014 64.237 63.200 0.038 0.000 0.975 180 S HN 0.193 nan 8.310 nan 0.000 0.577 181 D N 0.174 120.574 120.400 -0.000 0.000 2.264 181 D HA -0.013 4.627 4.640 -0.001 0.000 0.208 181 D C 1.742 178.058 176.300 0.026 0.000 0.966 181 D CA 0.918 54.920 54.000 0.003 0.000 0.864 181 D CB -0.283 40.506 40.800 -0.020 0.000 0.933 181 D HN 0.512 nan 8.370 nan 0.000 0.499 182 R N -0.098 120.426 120.500 0.040 0.000 2.328 182 R HA 0.103 4.443 4.340 -0.001 0.000 0.200 182 R C 1.742 178.093 176.300 0.083 0.000 0.983 182 R CA 0.225 56.363 56.100 0.064 0.000 1.062 182 R CB 0.028 30.374 30.300 0.077 0.000 0.956 182 R HN 0.045 nan 8.270 nan 0.000 0.479 183 G N -0.437 108.410 108.800 0.079 0.000 2.985 183 G HA2 0.049 4.009 3.960 -0.001 0.000 0.209 183 G HA3 0.049 4.009 3.960 -0.001 0.000 0.209 183 G C -0.064 174.893 174.900 0.096 0.000 1.165 183 G CA -0.010 45.147 45.100 0.095 0.000 0.776 183 G HN 0.133 nan 8.290 nan 0.000 0.541 184 L N 0.721 121.992 121.223 0.080 0.000 2.490 184 L HA 0.472 4.812 4.340 -0.001 0.000 0.261 184 L C -2.709 174.197 176.870 0.060 0.000 1.232 184 L CA -2.365 52.517 54.840 0.070 0.000 0.892 184 L CB 1.859 43.952 42.059 0.057 0.000 1.085 184 L HN -0.229 nan 8.230 nan 0.000 0.491 185 P HA 0.106 nan 4.420 nan 0.000 0.270 185 P C 0.792 178.133 177.300 0.068 0.000 1.223 185 P CA -0.239 62.914 63.100 0.088 0.000 0.785 185 P CB 0.841 32.617 31.700 0.127 0.000 0.923 186 L N 1.428 122.713 121.223 0.103 0.000 2.072 186 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 186 L C 0.748 177.683 176.870 0.107 0.000 1.079 186 L CA 2.187 57.091 54.840 0.106 0.000 0.752 186 L CB -0.470 41.653 42.059 0.105 0.000 0.906 186 L HN 0.644 nan 8.230 nan 0.000 0.436 187 S N -4.723 111.057 115.700 0.134 0.000 2.724 187 S HA 0.221 4.690 4.470 -0.001 0.000 0.278 187 S C 0.117 174.612 174.600 -0.175 0.000 1.190 187 S CA -0.332 57.794 58.200 -0.124 0.000 0.860 187 S CB -0.272 62.881 63.200 -0.079 0.000 1.206 187 S HN 0.008 nan 8.310 nan 0.000 0.507 188 Y N 0.742 120.969 120.300 -0.121 0.000 2.583 188 Y HA 0.330 4.879 4.550 -0.001 0.000 0.293 188 Y C 2.310 178.028 175.900 -0.302 0.000 1.157 188 Y CA 0.160 58.087 58.100 -0.287 0.000 1.315 188 Y CB -0.402 37.683 38.460 -0.624 0.000 1.021 188 Y HN 0.468 nan 8.280 nan 0.000 0.536 189 R N -0.897 119.432 120.500 -0.285 0.000 2.297 189 R HA 0.090 4.429 4.340 -0.001 0.000 0.197 189 R C -0.497 175.435 176.300 -0.614 0.000 0.943 189 R CA 0.403 56.207 56.100 -0.493 0.000 1.038 189 R CB 0.044 29.833 30.300 -0.852 0.000 0.957 189 R HN 0.126 nan 8.270 nan 0.000 0.484 190 F N -0.091 119.898 119.950 0.064 0.000 2.597 190 F HA 0.354 4.880 4.527 -0.001 0.000 0.336 190 F C -0.480 175.353 175.800 0.055 0.000 1.432 190 F CA -0.784 57.222 58.000 0.010 0.000 1.120 190 F CB 0.961 39.946 39.000 -0.025 0.000 1.253 190 F HN -0.342 nan 8.300 nan 0.000 0.546 191 V N 0.203 120.297 119.914 0.299 0.000 2.932 191 V HA 0.410 4.530 4.120 -0.001 0.000 0.307 191 V C -0.579 175.726 176.094 0.352 0.000 1.147 191 V CA -0.756 61.715 62.300 0.285 0.000 0.951 191 V CB 2.341 34.385 31.823 0.368 0.000 1.031 191 V HN 0.223 nan 8.190 nan 0.000 0.426 192 H N 1.584 120.817 119.070 0.270 0.000 2.508 192 H HA 0.711 5.267 4.556 -0.001 0.000 0.358 192 H C 0.326 175.433 175.328 -0.367 0.000 1.212 192 H CA 0.256 56.328 56.048 0.040 0.000 1.356 192 H CB 1.874 31.576 29.762 -0.099 0.000 1.525 192 H HN 0.853 nan 8.280 nan 0.000 0.578 193 G N 0.149 108.458 108.800 -0.817 0.000 2.533 193 G HA2 0.577 4.536 3.960 -0.001 0.000 0.304 193 G HA3 0.577 4.536 3.960 -0.001 0.000 0.304 193 G C -1.657 172.791 174.900 -0.753 0.000 1.263 193 G CA -0.449 43.808 45.100 -1.405 0.000 0.964 193 G HN 0.324 nan 8.290 nan 0.000 0.479 194 F N -1.063 118.806 119.950 -0.135 0.000 2.654 194 F HA 0.510 5.036 4.527 -0.001 0.000 0.308 194 F C 1.037 176.907 175.800 0.115 0.000 1.108 194 F CA -0.477 57.546 58.000 0.038 0.000 0.957 194 F CB 2.074 41.017 39.000 -0.096 0.000 1.309 194 F HN 0.619 nan 8.300 nan 0.000 0.446 195 G N -0.093 108.974 108.800 0.444 0.000 2.712 195 G HA2 0.196 4.155 3.960 -0.001 0.000 0.212 195 G HA3 0.196 4.155 3.960 -0.001 0.000 0.212 195 G C 0.898 176.014 174.900 0.360 0.000 1.142 195 G CA 0.818 46.210 45.100 0.488 0.000 0.789 195 G HN 0.706 nan 8.290 nan 0.000 0.535 196 S N -0.670 115.121 115.700 0.152 0.000 1.988 196 S HA -0.278 4.191 4.470 -0.001 0.000 0.231 196 S C 1.041 175.551 174.600 -0.150 0.000 0.994 196 S CA 1.606 59.746 58.200 -0.099 0.000 1.876 196 S CB -1.284 61.786 63.200 -0.216 0.000 2.008 196 S HN 0.708 nan 8.310 nan 0.000 0.530 197 H N 1.811 120.857 119.070 -0.039 0.000 2.730 197 H HA 0.253 4.809 4.556 -0.001 0.000 0.376 197 H C 0.385 175.585 175.328 -0.214 0.000 1.299 197 H CA 0.946 56.882 56.048 -0.187 0.000 1.447 197 H CB 0.037 29.577 29.762 -0.369 0.000 1.493 197 H HN 0.367 nan 8.280 nan 0.000 0.619 198 T N 2.626 117.120 114.554 -0.100 0.000 2.729 198 T HA 0.219 4.569 4.350 -0.001 0.000 0.296 198 T C -0.142 174.509 174.700 -0.081 0.000 0.928 198 T CA -0.207 61.816 62.100 -0.128 0.000 1.045 198 T CB -0.222 68.647 68.868 0.002 0.000 0.902 198 T HN 0.273 nan 8.240 nan 0.000 0.500 199 Y N 1.215 121.589 120.300 0.124 0.000 2.565 199 Y HA 0.565 5.114 4.550 -0.001 0.000 0.325 199 Y C 1.142 177.221 175.900 0.298 0.000 1.221 199 Y CA -0.814 57.443 58.100 0.261 0.000 1.316 199 Y CB 1.171 39.866 38.460 0.393 0.000 1.404 199 Y HN 0.637 nan 8.280 nan 0.000 0.527 200 S N -0.090 115.914 115.700 0.507 0.000 2.600 200 S HA 0.697 5.166 4.470 -0.001 0.000 0.300 200 S C -1.512 173.316 174.600 0.379 0.000 1.087 200 S CA -0.792 57.662 58.200 0.423 0.000 0.965 200 S CB 1.622 65.027 63.200 0.341 0.000 1.089 200 S HN 0.273 nan 8.310 nan 0.000 0.496 201 F N 0.832 120.920 119.950 0.229 0.000 2.492 201 F HA 0.656 5.183 4.527 -0.001 0.000 0.327 201 F C -0.230 175.699 175.800 0.214 0.000 1.079 201 F CA -2.030 56.092 58.000 0.204 0.000 0.967 201 F CB 1.614 40.745 39.000 0.219 0.000 1.169 201 F HN 0.427 nan 8.300 nan 0.000 0.472 202 I N 3.270 124.032 120.570 0.321 0.000 2.533 202 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 202 I C -0.520 175.699 176.117 0.170 0.000 1.056 202 I CA -0.844 60.580 61.300 0.206 0.000 1.057 202 I CB 1.634 39.693 38.000 0.100 0.000 1.240 202 I HN 0.538 nan 8.210 nan 0.000 0.423 203 N N 5.484 124.305 118.700 0.201 0.000 2.563 203 N HA 0.280 5.020 4.740 -0.001 0.000 0.288 203 N C 0.656 176.205 175.510 0.065 0.000 1.246 203 N CA -0.832 52.295 53.050 0.128 0.000 0.946 203 N CB 0.865 39.462 38.487 0.184 0.000 1.213 203 N HN 0.583 nan 8.380 nan 0.000 0.578 204 K N -0.908 119.509 120.400 0.028 0.000 2.160 204 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 204 K C -0.290 176.310 176.600 -0.000 0.000 1.047 204 K CA 1.710 57.997 56.287 0.001 0.000 0.930 204 K CB -0.233 32.259 32.500 -0.014 0.000 0.720 204 K HN 0.492 nan 8.250 nan 0.000 0.450 205 D N 0.920 121.331 120.400 0.018 0.000 2.328 205 D HA 0.006 4.645 4.640 -0.001 0.000 0.221 205 D C -0.434 175.868 176.300 0.004 0.000 1.072 205 D CA 0.115 54.121 54.000 0.009 0.000 0.850 205 D CB -0.158 40.651 40.800 0.016 0.000 0.922 205 D HN 0.336 nan 8.370 nan 0.000 0.516 206 N N 1.620 120.328 118.700 0.013 0.000 2.746 206 N HA -0.159 4.580 4.740 -0.001 0.000 0.250 206 N C -0.990 174.499 175.510 -0.035 0.000 1.055 206 N CA 0.463 53.512 53.050 -0.003 0.000 0.699 206 N CB -0.493 37.985 38.487 -0.015 0.000 0.919 206 N HN 0.400 nan 8.380 nan 0.000 0.548 207 E N 0.697 120.883 120.200 -0.023 0.000 2.199 207 E HA 0.341 4.691 4.350 -0.001 0.000 0.269 207 E C -0.144 176.341 176.600 -0.191 0.000 0.899 207 E CA -0.691 55.618 56.400 -0.152 0.000 0.772 207 E CB 2.204 31.807 29.700 -0.161 0.000 1.155 207 E HN 0.210 nan 8.360 nan 0.000 0.408 208 R N 3.005 123.276 120.500 -0.382 0.000 2.407 208 R HA 0.440 4.780 4.340 -0.001 0.000 0.303 208 R C -1.399 174.484 176.300 -0.694 0.000 0.981 208 R CA -0.313 55.560 56.100 -0.379 0.000 0.905 208 R CB 0.560 30.615 30.300 -0.409 0.000 1.099 208 R HN 0.337 nan 8.270 nan 0.000 0.459 209 F N 2.852 122.753 119.950 -0.083 0.000 2.532 209 F HA 0.426 4.953 4.527 -0.001 0.000 0.321 209 F C -0.540 175.274 175.800 0.024 0.000 1.089 209 F CA -0.684 57.298 58.000 -0.030 0.000 0.926 209 F CB 1.161 40.234 39.000 0.121 0.000 1.168 209 F HN 0.439 nan 8.300 nan 0.000 0.459 210 W N 2.541 123.985 121.300 0.240 0.000 2.316 210 W HA 0.648 5.308 4.660 -0.001 0.000 0.321 210 W C -0.470 176.171 176.519 0.203 0.000 1.203 210 W CA -0.831 56.665 57.345 0.251 0.000 1.214 210 W CB 1.515 31.155 29.460 0.301 0.000 1.169 210 W HN 0.333 nan 8.180 nan 0.000 0.561 211 V N 3.676 123.726 119.914 0.228 0.000 3.078 211 V HA 0.555 4.675 4.120 -0.001 0.000 0.311 211 V C -1.100 174.709 176.094 -0.475 0.000 1.138 211 V CA -1.104 61.062 62.300 -0.224 0.000 1.007 211 V CB 2.320 33.631 31.823 -0.853 0.000 1.045 211 V HN 0.466 nan 8.190 nan 0.000 0.432 212 K N 3.508 123.573 120.400 -0.558 0.000 2.422 212 K HA 0.556 4.876 4.320 -0.001 0.000 0.251 212 K C -1.929 174.458 176.600 -0.355 0.000 0.933 212 K CA -0.334 55.659 56.287 -0.491 0.000 0.798 212 K CB 2.336 34.572 32.500 -0.441 0.000 1.238 212 K HN 0.530 nan 8.250 nan 0.000 0.428 213 F N 1.501 121.474 119.950 0.038 0.000 2.436 213 F HA 0.320 4.847 4.527 -0.001 0.000 0.340 213 F C 0.071 175.823 175.800 -0.079 0.000 1.113 213 F CA -0.632 57.391 58.000 0.039 0.000 1.022 213 F CB 1.144 40.250 39.000 0.177 0.000 1.128 213 F HN 0.410 nan 8.300 nan 0.000 0.466 214 H N 2.784 121.838 119.070 -0.027 0.000 2.609 214 H HA 0.484 5.040 4.556 -0.001 0.000 0.344 214 H C -1.356 173.762 175.328 -0.350 0.000 1.040 214 H CA -0.898 55.063 56.048 -0.145 0.000 1.216 214 H CB 1.103 30.813 29.762 -0.086 0.000 1.529 214 H HN 0.348 nan 8.280 nan 0.000 0.519 215 F N 2.205 122.032 119.950 -0.205 0.000 2.402 215 F HA 0.461 4.988 4.527 -0.001 0.000 0.355 215 F C 0.506 176.307 175.800 0.002 0.000 1.123 215 F CA -0.726 57.283 58.000 0.015 0.000 1.021 215 F CB 1.107 40.126 39.000 0.032 0.000 1.160 215 F HN 0.256 nan 8.300 nan 0.000 0.451 216 R N 1.593 122.245 120.500 0.253 0.000 2.368 216 R HA 0.386 4.725 4.340 -0.001 0.000 0.302 216 R C -0.860 175.647 176.300 0.345 0.000 1.002 216 R CA -0.657 55.555 56.100 0.187 0.000 0.929 216 R CB 1.598 31.897 30.300 -0.002 0.000 1.073 216 R HN 0.695 nan 8.270 nan 0.000 0.464 217 C N 3.689 123.264 119.300 0.458 0.000 2.464 217 C HA 0.093 4.552 4.460 -0.001 0.000 0.370 217 C C 1.368 176.291 174.990 -0.112 0.000 1.267 217 C CA -0.474 58.536 59.018 -0.013 0.000 1.781 217 C CB 0.040 27.822 27.740 0.070 0.000 2.431 217 C HN 0.723 nan 8.230 nan 0.000 0.556 218 Q N 2.915 122.527 119.800 -0.313 0.000 2.482 218 Q HA -0.033 4.306 4.340 -0.001 0.000 0.209 218 Q C 1.328 177.239 176.000 -0.149 0.000 0.961 218 Q CA 1.093 56.790 55.803 -0.176 0.000 0.945 218 Q CB 0.088 28.720 28.738 -0.176 0.000 1.012 218 Q HN 0.814 nan 8.270 nan 0.000 0.515 219 Q N -0.820 118.875 119.800 -0.174 0.000 2.319 219 Q HA 0.345 4.685 4.340 -0.001 0.000 0.209 219 Q C 0.508 176.592 176.000 0.141 0.000 0.884 219 Q CA 0.580 56.383 55.803 0.001 0.000 0.938 219 Q CB 1.280 30.013 28.738 -0.009 0.000 1.098 219 Q HN 0.325 nan 8.270 nan 0.000 0.517 220 G N 0.093 108.941 108.800 0.080 0.000 2.422 220 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.607 220 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.607 220 G C -1.539 173.392 174.900 0.053 0.000 1.270 220 G CA -0.954 44.177 45.100 0.052 0.000 0.992 220 G HN -0.005 nan 8.290 nan 0.000 0.499 221 I N 1.077 121.633 120.570 -0.024 0.000 2.439 221 I HA 0.457 4.627 4.170 -0.001 0.000 0.285 221 I C -0.065 175.998 176.117 -0.091 0.000 1.021 221 I CA -0.529 60.751 61.300 -0.033 0.000 1.091 221 I CB 1.416 39.377 38.000 -0.064 0.000 1.242 221 I HN 0.515 nan 8.210 nan 0.000 0.439 222 K N 5.517 125.840 120.400 -0.129 0.000 2.378 222 K HA 0.563 4.883 4.320 -0.001 0.000 0.252 222 K C -0.794 175.746 176.600 -0.099 0.000 0.931 222 K CA -0.888 55.249 56.287 -0.250 0.000 0.794 222 K CB 2.744 34.864 32.500 -0.633 0.000 1.181 222 K HN 0.430 nan 8.250 nan 0.000 0.425 223 N N 1.805 120.460 118.700 -0.076 0.000 2.545 223 N HA 0.529 5.269 4.740 -0.001 0.000 0.289 223 N C -0.980 174.513 175.510 -0.029 0.000 1.279 223 N CA -0.669 52.368 53.050 -0.022 0.000 0.824 223 N CB 1.448 39.929 38.487 -0.010 0.000 1.395 223 N HN 0.285 nan 8.380 nan 0.000 0.526 224 L N 1.501 122.721 121.223 -0.005 0.000 2.341 224 L HA 0.443 4.782 4.340 -0.001 0.000 0.278 224 L C -0.117 176.753 176.870 -0.001 0.000 1.005 224 L CA -0.747 54.090 54.840 -0.005 0.000 0.818 224 L CB 1.394 43.457 42.059 0.006 0.000 1.259 224 L HN 0.265 nan 8.230 nan 0.000 0.418 225 M N 1.454 121.050 119.600 -0.007 0.000 2.241 225 M HA 0.100 4.579 4.480 -0.001 0.000 0.335 225 M C 1.216 177.521 176.300 0.007 0.000 1.122 225 M CA 0.024 55.322 55.300 -0.003 0.000 1.164 225 M CB 0.507 33.101 32.600 -0.011 0.000 1.459 225 M HN 0.543 nan 8.290 nan 0.000 0.461 226 D N 1.694 122.102 120.400 0.014 0.000 2.154 226 D HA -0.253 4.386 4.640 -0.001 0.000 0.190 226 D C 1.043 177.354 176.300 0.018 0.000 1.003 226 D CA 2.429 56.442 54.000 0.022 0.000 0.849 226 D CB -0.232 40.584 40.800 0.026 0.000 0.942 226 D HN 0.707 nan 8.370 nan 0.000 0.446 227 D N 0.726 121.133 120.400 0.012 0.000 2.178 227 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 227 D C 1.700 178.005 176.300 0.008 0.000 0.974 227 D CA 0.800 54.806 54.000 0.011 0.000 0.841 227 D CB -0.610 40.194 40.800 0.007 0.000 0.953 227 D HN 0.335 nan 8.370 nan 0.000 0.478 228 E N 0.449 120.652 120.200 0.005 0.000 2.107 228 E HA -0.055 4.295 4.350 -0.001 0.000 0.191 228 E C 2.219 178.823 176.600 0.007 0.000 0.982 228 E CA 0.912 57.314 56.400 0.003 0.000 0.809 228 E CB -0.131 29.567 29.700 -0.003 0.000 0.756 228 E HN 0.406 nan 8.360 nan 0.000 0.459 229 A N 1.668 124.494 122.820 0.011 0.000 1.877 229 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 229 A C 1.950 179.545 177.584 0.018 0.000 1.186 229 A CA 1.437 53.483 52.037 0.016 0.000 0.620 229 A CB -0.452 18.561 19.000 0.022 0.000 0.822 229 A HN 0.142 nan 8.150 nan 0.000 0.443 230 E N -0.298 119.914 120.200 0.019 0.000 2.097 230 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 230 E C 2.291 178.900 176.600 0.015 0.000 1.000 230 E CA 1.078 57.489 56.400 0.019 0.000 0.804 230 E CB -0.302 29.409 29.700 0.019 0.000 0.740 230 E HN 0.632 nan 8.360 nan 0.000 0.454 231 A N 1.017 123.844 122.820 0.012 0.000 1.902 231 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 231 A C 2.148 179.739 177.584 0.011 0.000 1.181 231 A CA 1.100 53.144 52.037 0.010 0.000 0.623 231 A CB -0.519 18.485 19.000 0.008 0.000 0.818 231 A HN 0.228 nan 8.150 nan 0.000 0.443 232 L N -0.090 121.140 121.223 0.012 0.000 2.017 232 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 232 L C 2.382 179.260 176.870 0.014 0.000 1.073 232 L CA 1.862 56.709 54.840 0.012 0.000 0.745 232 L CB -0.536 41.530 42.059 0.012 0.000 0.894 232 L HN 0.146 nan 8.230 nan 0.000 0.432 233 V N 0.082 120.005 119.914 0.016 0.000 2.407 233 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 233 V C 2.549 178.653 176.094 0.016 0.000 1.055 233 V CA 1.695 64.006 62.300 0.018 0.000 1.049 233 V CB -1.504 30.332 31.823 0.022 0.000 0.662 233 V HN 0.644 nan 8.190 nan 0.000 0.455 234 G N -0.557 108.252 108.800 0.015 0.000 2.509 234 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 234 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 234 G C 1.592 176.499 174.900 0.012 0.000 1.124 234 G CA 0.575 45.683 45.100 0.014 0.000 0.776 234 G HN 0.522 nan 8.290 nan 0.000 0.547 235 K N -1.070 119.337 120.400 0.012 0.000 2.370 235 K HA 0.148 4.467 4.320 -0.001 0.000 0.194 235 K C -0.522 176.085 176.600 0.012 0.000 1.070 235 K CA 0.091 56.385 56.287 0.012 0.000 0.998 235 K CB 0.831 33.338 32.500 0.012 0.000 0.911 235 K HN 0.096 nan 8.250 nan 0.000 0.533 236 D N -0.125 120.283 120.400 0.013 0.000 2.613 236 D HA 0.184 4.823 4.640 -0.001 0.000 0.230 236 D C -0.229 176.079 176.300 0.014 0.000 1.365 236 D CA -0.259 53.749 54.000 0.013 0.000 0.976 236 D CB 1.181 41.989 40.800 0.014 0.000 1.415 236 D HN -0.281 nan 8.370 nan 0.000 0.589 237 R N 1.155 121.664 120.500 0.014 0.000 2.307 237 R HA 0.127 4.467 4.340 -0.001 0.000 0.199 237 R C 0.477 176.790 176.300 0.022 0.000 1.000 237 R CA 0.753 56.864 56.100 0.019 0.000 1.023 237 R CB 0.349 30.660 30.300 0.019 0.000 0.908 237 R HN 0.294 nan 8.270 nan 0.000 0.473 238 E N -0.861 119.349 120.200 0.016 0.000 2.609 238 E HA 0.150 4.499 4.350 -0.001 0.000 0.208 238 E C 0.600 177.215 176.600 0.024 0.000 1.013 238 E CA 0.008 56.420 56.400 0.020 0.000 1.093 238 E CB 0.567 30.268 29.700 0.002 0.000 1.129 238 E HN 0.114 nan 8.360 nan 0.000 0.450 239 S N 0.663 116.370 115.700 0.013 0.000 2.369 239 S HA -0.214 4.256 4.470 -0.001 0.000 0.225 239 S C 2.021 176.616 174.600 -0.008 0.000 1.043 239 S CA 1.819 60.021 58.200 0.003 0.000 1.074 239 S CB -0.317 62.877 63.200 -0.011 0.000 0.962 239 S HN 0.230 nan 8.310 nan 0.000 0.433 240 S N 1.604 117.264 115.700 -0.068 0.000 2.402 240 S HA -0.117 4.353 4.470 -0.001 0.000 0.229 240 S C 2.042 176.683 174.600 0.069 0.000 1.021 240 S CA 1.246 59.358 58.200 -0.147 0.000 0.974 240 S CB -0.406 62.431 63.200 -0.605 0.000 0.800 240 S HN 0.559 nan 8.310 nan 0.000 0.484 241 Q N 2.339 122.229 119.800 0.150 0.000 2.046 241 Q HA -0.003 4.337 4.340 -0.001 0.000 0.200 241 Q C 2.120 178.241 176.000 0.202 0.000 0.975 241 Q CA 1.612 57.547 55.803 0.221 0.000 0.836 241 Q CB -0.397 28.431 28.738 0.151 0.000 0.896 241 Q HN 0.488 nan 8.270 nan 0.000 0.428 242 R N -0.042 120.535 120.500 0.128 0.000 2.083 242 R HA -0.213 4.127 4.340 -0.001 0.000 0.237 242 R C 1.876 178.275 176.300 0.166 0.000 1.137 242 R CA 2.111 58.292 56.100 0.135 0.000 0.951 242 R CB -0.633 29.713 30.300 0.077 0.000 0.851 242 R HN 0.528 nan 8.270 nan 0.000 0.434 243 D N -0.119 120.350 120.400 0.116 0.000 2.092 243 D HA -0.200 4.440 4.640 -0.001 0.000 0.193 243 D C 2.011 178.382 176.300 0.117 0.000 0.994 243 D CA 1.307 55.365 54.000 0.097 0.000 0.828 243 D CB -0.079 40.749 40.800 0.046 0.000 0.963 243 D HN 0.253 nan 8.370 nan 0.000 0.450 244 L N -0.584 120.730 121.223 0.153 0.000 2.093 244 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 244 L C 2.065 179.052 176.870 0.194 0.000 1.085 244 L CA 0.816 55.759 54.840 0.173 0.000 0.755 244 L CB -0.336 41.875 42.059 0.254 0.000 0.904 244 L HN 0.191 nan 8.230 nan 0.000 0.435 245 F N 1.095 121.123 119.950 0.130 0.000 2.084 245 F HA -0.247 4.280 4.527 -0.001 0.000 0.296 245 F C 2.436 178.307 175.800 0.119 0.000 1.111 245 F CA 1.911 59.990 58.000 0.132 0.000 1.224 245 F CB -0.043 39.027 39.000 0.116 0.000 0.991 245 F HN 0.056 nan 8.300 nan 0.000 0.471 246 E N -0.038 120.312 120.200 0.251 0.000 2.072 246 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 246 E C 2.348 178.992 176.600 0.074 0.000 0.985 246 E CA 0.901 57.397 56.400 0.160 0.000 0.801 246 E CB -0.429 29.381 29.700 0.183 0.000 0.750 246 E HN 0.470 nan 8.360 nan 0.000 0.452 247 A N 1.311 124.177 122.820 0.077 0.000 1.903 247 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 247 A C 2.162 179.796 177.584 0.084 0.000 1.191 247 A CA 1.515 53.590 52.037 0.062 0.000 0.638 247 A CB -0.721 18.309 19.000 0.050 0.000 0.823 247 A HN 0.195 nan 8.150 nan 0.000 0.451 248 I N -1.395 119.225 120.570 0.082 0.000 2.500 248 I HA -0.140 4.030 4.170 -0.001 0.000 0.252 248 I C 2.469 178.634 176.117 0.081 0.000 1.142 248 I CA 1.255 62.644 61.300 0.148 0.000 1.451 248 I CB -0.323 37.707 38.000 0.050 0.000 1.093 248 I HN 0.270 nan 8.210 nan 0.000 0.430 249 E N 1.224 121.382 120.200 -0.070 0.000 2.072 249 E HA -0.203 4.146 4.350 -0.001 0.000 0.191 249 E C 2.196 178.818 176.600 0.038 0.000 0.985 249 E CA 1.103 57.475 56.400 -0.048 0.000 0.801 249 E CB -0.177 29.476 29.700 -0.079 0.000 0.750 249 E HN 0.177 nan 8.360 nan 0.000 0.452 250 R N -1.259 119.263 120.500 0.035 0.000 2.241 250 R HA -0.112 4.228 4.340 -0.001 0.000 0.224 250 R C 0.977 177.266 176.300 -0.019 0.000 1.101 250 R CA 1.177 57.290 56.100 0.022 0.000 0.995 250 R CB -0.071 30.244 30.300 0.025 0.000 0.870 250 R HN 0.349 nan 8.270 nan 0.000 0.463 251 G N -0.150 108.634 108.800 -0.027 0.000 2.195 251 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.224 251 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.224 251 G C -0.626 173.974 174.900 -0.499 0.000 0.990 251 G CA 0.125 45.055 45.100 -0.284 0.000 0.639 251 G HN 0.393 nan 8.290 nan 0.000 0.514 252 D N 1.611 121.905 120.400 -0.177 0.000 2.619 252 D HA 0.380 5.020 4.640 -0.001 0.000 0.224 252 D C 0.199 176.522 176.300 0.038 0.000 1.133 252 D CA -0.298 53.631 54.000 -0.119 0.000 1.017 252 D CB -0.316 40.462 40.800 -0.036 0.000 1.077 252 D HN 0.291 nan 8.370 nan 0.000 0.503 253 Y N 2.214 122.530 120.300 0.026 0.000 2.650 253 Y HA 0.116 4.666 4.550 -0.001 0.000 0.331 253 Y C -1.480 174.430 175.900 0.018 0.000 1.165 253 Y CA -2.759 55.373 58.100 0.053 0.000 1.473 253 Y CB -0.656 37.858 38.460 0.089 0.000 1.224 253 Y HN 0.187 nan 8.280 nan 0.000 0.533 254 P HA 0.297 nan 4.420 nan 0.000 0.275 254 P C -0.480 176.784 177.300 -0.060 0.000 1.227 254 P CA -0.365 62.686 63.100 -0.081 0.000 0.781 254 P CB 1.281 32.927 31.700 -0.090 0.000 0.906 255 R N 1.906 122.181 120.500 -0.375 0.000 2.744 255 R HA 0.605 4.944 4.340 -0.001 0.000 0.279 255 R C -1.161 174.836 176.300 -0.504 0.000 0.977 255 R CA -0.442 55.549 56.100 -0.181 0.000 0.906 255 R CB 1.680 31.976 30.300 -0.008 0.000 1.197 255 R HN 0.571 nan 8.270 nan 0.000 0.463 256 W N 2.449 123.585 121.300 -0.274 0.000 2.998 256 W HA 0.399 5.059 4.660 -0.001 0.000 0.335 256 W C -0.604 175.954 176.519 0.065 0.000 1.110 256 W CA -0.759 56.502 57.345 -0.139 0.000 1.230 256 W CB 2.144 31.491 29.460 -0.188 0.000 1.405 256 W HN 0.249 nan 8.180 nan 0.000 0.493 257 K N 2.414 123.018 120.400 0.339 0.000 2.183 257 K HA 0.378 4.698 4.320 -0.001 0.000 0.274 257 K C -0.579 176.180 176.600 0.264 0.000 1.009 257 K CA -0.996 55.473 56.287 0.304 0.000 0.888 257 K CB 1.989 34.580 32.500 0.152 0.000 1.078 257 K HN 0.197 nan 8.250 nan 0.000 0.459 258 L N 4.479 125.878 121.223 0.293 0.000 2.265 258 L HA 0.166 4.506 4.340 -0.001 0.000 0.288 258 L C -0.749 176.135 176.870 0.024 0.000 1.058 258 L CA 0.451 55.311 54.840 0.035 0.000 0.809 258 L CB 0.603 42.838 42.059 0.292 0.000 1.179 258 L HN 0.601 nan 8.230 nan 0.000 0.429 259 Q N 5.591 125.349 119.800 -0.070 0.000 2.389 259 Q HA 0.710 5.050 4.340 -0.001 0.000 0.277 259 Q C -1.147 174.840 176.000 -0.022 0.000 1.082 259 Q CA -0.937 54.834 55.803 -0.054 0.000 0.810 259 Q CB 2.324 31.007 28.738 -0.091 0.000 1.374 259 Q HN 0.732 nan 8.270 nan 0.000 0.422 260 I N -1.988 118.558 120.570 -0.041 0.000 3.067 260 I HA 0.566 4.735 4.170 -0.001 0.000 0.312 260 I C -0.962 175.122 176.117 -0.054 0.000 1.073 260 I CA -1.237 60.036 61.300 -0.043 0.000 1.016 260 I CB 2.394 40.317 38.000 -0.129 0.000 1.227 260 I HN 0.600 nan 8.210 nan 0.000 0.456 261 Q N 2.574 122.371 119.800 -0.005 0.000 2.340 261 Q HA 0.658 4.998 4.340 -0.001 0.000 0.268 261 Q C -1.442 174.628 176.000 0.117 0.000 1.031 261 Q CA -0.693 55.191 55.803 0.134 0.000 0.804 261 Q CB 3.268 32.224 28.738 0.364 0.000 1.286 261 Q HN 0.663 nan 8.270 nan 0.000 0.448 262 I N 2.432 123.049 120.570 0.077 0.000 2.545 262 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 262 I C -1.486 174.663 176.117 0.053 0.000 1.040 262 I CA -0.601 60.681 61.300 -0.030 0.000 1.068 262 I CB 1.645 39.390 38.000 -0.425 0.000 1.251 262 I HN 0.670 nan 8.210 nan 0.000 0.424 263 M N 9.479 129.120 119.600 0.068 0.000 2.213 263 M HA 0.599 5.079 4.480 -0.001 0.000 0.286 263 M C -2.852 173.552 176.300 0.173 0.000 1.008 263 M CA -1.660 53.588 55.300 -0.086 0.000 0.937 263 M CB 2.376 34.509 32.600 -0.778 0.000 1.600 263 M HN 0.248 nan 8.290 nan 0.000 0.450 264 P HA 0.077 nan 4.420 nan 0.000 0.271 264 P C 0.097 177.382 177.300 -0.026 0.000 1.216 264 P CA 0.217 63.365 63.100 0.080 0.000 0.776 264 P CB 0.575 32.339 31.700 0.107 0.000 0.881 265 E N 2.481 122.515 120.200 -0.277 0.000 2.136 265 E HA -0.329 4.021 4.350 -0.001 0.000 0.202 265 E C 1.191 177.796 176.600 0.008 0.000 1.019 265 E CA 1.729 57.930 56.400 -0.332 0.000 0.819 265 E CB 0.044 29.454 29.700 -0.484 0.000 0.739 265 E HN 0.155 nan 8.360 nan 0.000 0.458 266 K N 0.526 120.912 120.400 -0.025 0.000 2.365 266 K HA -0.030 4.290 4.320 -0.001 0.000 0.197 266 K C 1.482 178.106 176.600 0.039 0.000 1.042 266 K CA 0.648 56.948 56.287 0.021 0.000 0.987 266 K CB 0.147 32.640 32.500 -0.012 0.000 0.779 266 K HN 0.111 nan 8.250 nan 0.000 0.484 267 E N -0.736 119.491 120.200 0.044 0.000 2.418 267 E HA -0.031 4.319 4.350 -0.001 0.000 0.197 267 E C 1.211 177.791 176.600 -0.033 0.000 1.026 267 E CA 0.531 56.940 56.400 0.016 0.000 0.862 267 E CB 0.097 29.823 29.700 0.043 0.000 0.799 267 E HN 0.352 nan 8.360 nan 0.000 0.518 268 A N -0.111 122.726 122.820 0.029 0.000 2.119 268 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 268 A C 2.064 179.586 177.584 -0.104 0.000 1.153 268 A CA 0.988 52.974 52.037 -0.085 0.000 0.692 268 A CB 0.031 19.071 19.000 0.067 0.000 0.799 268 A HN 0.159 nan 8.150 nan 0.000 0.458 269 S N -0.901 114.779 115.700 -0.033 0.000 2.527 269 S HA -0.033 4.437 4.470 -0.001 0.000 0.222 269 S C 1.663 176.213 174.600 -0.083 0.000 0.985 269 S CA 1.144 59.317 58.200 -0.045 0.000 0.921 269 S CB -0.049 63.148 63.200 -0.005 0.000 0.772 269 S HN 0.617 nan 8.310 nan 0.000 0.529 270 T N 1.360 115.852 114.554 -0.103 0.000 3.014 270 T HA 0.164 4.514 4.350 -0.001 0.000 0.263 270 T C 0.630 175.224 174.700 -0.176 0.000 1.078 270 T CA 0.361 62.394 62.100 -0.111 0.000 1.135 270 T CB 0.128 68.949 68.868 -0.078 0.000 0.895 270 T HN 0.103 nan 8.240 nan 0.000 0.480 271 V N 3.898 123.642 119.914 -0.283 0.000 2.498 271 V HA 0.195 4.315 4.120 -0.001 0.000 0.279 271 V C -1.301 174.484 176.094 -0.514 0.000 1.048 271 V CA -1.815 60.183 62.300 -0.504 0.000 0.967 271 V CB 1.786 33.217 31.823 -0.653 0.000 0.988 271 V HN 0.187 nan 8.190 nan 0.000 0.473 272 P HA -0.049 nan 4.420 nan 0.000 0.226 272 P C -0.428 176.788 177.300 -0.140 0.000 1.153 272 P CA 1.011 63.982 63.100 -0.216 0.000 0.777 272 P CB -0.066 31.597 31.700 -0.062 0.000 0.794 273 Y N -1.791 118.485 120.300 -0.040 0.000 2.446 273 Y HA 0.578 5.127 4.550 -0.001 0.000 0.338 273 Y C 0.377 176.240 175.900 -0.061 0.000 1.055 273 Y CA -2.482 55.600 58.100 -0.030 0.000 1.101 273 Y CB -0.162 38.303 38.460 0.008 0.000 1.221 273 Y HN -0.334 nan 8.280 nan 0.000 0.460 274 N N 4.477 123.233 118.700 0.093 0.000 2.434 274 N HA 0.030 4.769 4.740 -0.001 0.000 0.268 274 N C -1.662 173.863 175.510 0.025 0.000 1.256 274 N CA -1.739 51.317 53.050 0.010 0.000 0.914 274 N CB 0.729 39.250 38.487 0.057 0.000 1.088 274 N HN 0.584 nan 8.380 nan 0.000 0.478 275 P HA -0.013 nan 4.420 nan 0.000 0.237 275 P C -0.160 176.947 177.300 -0.322 0.000 1.178 275 P CA 0.716 63.716 63.100 -0.168 0.000 0.766 275 P CB -0.004 31.345 31.700 -0.586 0.000 0.876 276 F N -0.295 119.673 119.950 0.030 0.000 2.772 276 F HA 0.307 4.833 4.527 -0.001 0.000 0.302 276 F C 0.607 176.399 175.800 -0.013 0.000 1.136 276 F CA -1.313 56.651 58.000 -0.059 0.000 1.322 276 F CB -0.169 38.747 39.000 -0.139 0.000 0.967 276 F HN -0.166 nan 8.300 nan 0.000 0.513 277 D N 1.389 121.872 120.400 0.138 0.000 2.329 277 D HA 0.143 4.782 4.640 -0.001 0.000 0.232 277 D C 1.254 177.588 176.300 0.057 0.000 1.088 277 D CA -0.021 54.041 54.000 0.105 0.000 0.835 277 D CB 1.277 42.140 40.800 0.106 0.000 1.078 277 D HN 0.219 nan 8.370 nan 0.000 0.495 278 L N 3.089 124.336 121.223 0.041 0.000 2.187 278 L HA -0.186 4.154 4.340 -0.001 0.000 0.213 278 L C 2.027 178.887 176.870 -0.017 0.000 1.100 278 L CA 1.565 56.392 54.840 -0.022 0.000 0.765 278 L CB -0.089 41.976 42.059 0.011 0.000 0.904 278 L HN 0.520 nan 8.230 nan 0.000 0.437 279 T N -4.267 110.311 114.554 0.041 0.000 3.129 279 T HA 0.050 4.400 4.350 -0.001 0.000 0.251 279 T C 0.627 175.414 174.700 0.145 0.000 1.117 279 T CA -0.114 62.024 62.100 0.063 0.000 1.034 279 T CB 0.211 69.145 68.868 0.110 0.000 0.968 279 T HN -0.031 nan 8.240 nan 0.000 0.526 280 K N 0.247 120.697 120.400 0.083 0.000 2.221 280 K HA 0.750 5.070 4.320 -0.001 0.000 0.243 280 K C -1.127 175.476 176.600 0.005 0.000 0.968 280 K CA -0.746 55.595 56.287 0.090 0.000 0.846 280 K CB 2.423 34.971 32.500 0.081 0.000 1.141 280 K HN 0.014 nan 8.250 nan 0.000 0.434 281 V N 1.592 121.504 119.914 -0.003 0.000 3.019 281 V HA 0.492 4.612 4.120 -0.001 0.000 0.317 281 V C -1.265 174.834 176.094 0.008 0.000 1.094 281 V CA -0.776 61.493 62.300 -0.052 0.000 1.000 281 V CB 1.375 33.184 31.823 -0.024 0.000 1.060 281 V HN 0.687 nan 8.190 nan 0.000 0.443 282 W N 3.267 124.505 121.300 -0.103 0.000 2.308 282 W HA 0.447 5.106 4.660 -0.001 0.000 0.311 282 W C -2.311 174.195 176.519 -0.021 0.000 1.088 282 W CA -3.325 53.969 57.345 -0.085 0.000 1.309 282 W CB -0.273 29.248 29.460 0.103 0.000 1.229 282 W HN 0.354 nan 8.180 nan 0.000 0.427 283 P HA -0.137 nan 4.420 nan 0.000 0.259 283 P C 0.918 178.323 177.300 0.174 0.000 1.163 283 P CA 1.066 64.190 63.100 0.041 0.000 0.760 283 P CB 0.357 32.060 31.700 0.005 0.000 0.762 284 H N 2.444 121.576 119.070 0.103 0.000 2.489 284 H HA -0.172 4.383 4.556 -0.001 0.000 0.295 284 H C 1.802 177.153 175.328 0.039 0.000 1.082 284 H CA 0.878 56.970 56.048 0.074 0.000 1.295 284 H CB 0.142 29.927 29.762 0.038 0.000 1.380 284 H HN 0.485 nan 8.280 nan 0.000 0.548 285 A N 0.631 123.536 122.820 0.141 0.000 1.970 285 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 285 A C 1.590 179.155 177.584 -0.032 0.000 1.170 285 A CA 1.509 53.575 52.037 0.049 0.000 0.645 285 A CB 0.087 19.107 19.000 0.033 0.000 0.816 285 A HN 0.260 nan 8.150 nan 0.000 0.447 286 D N -1.880 118.490 120.400 -0.050 0.000 2.162 286 D HA 0.048 4.687 4.640 -0.001 0.000 0.203 286 D C -0.501 175.373 176.300 -0.710 0.000 0.967 286 D CA 1.184 54.999 54.000 -0.307 0.000 0.840 286 D CB -0.038 40.666 40.800 -0.161 0.000 0.972 286 D HN 0.478 nan 8.370 nan 0.000 0.482 287 Y N 0.501 120.857 120.300 0.094 0.000 2.594 287 Y HA 0.299 4.848 4.550 -0.001 0.000 0.338 287 Y C -2.269 173.694 175.900 0.104 0.000 1.019 287 Y CA -2.504 55.652 58.100 0.094 0.000 1.306 287 Y CB 1.591 40.148 38.460 0.162 0.000 1.094 287 Y HN -0.147 nan 8.280 nan 0.000 0.534 288 P HA 0.129 nan 4.420 nan 0.000 0.272 288 P C -0.376 176.918 177.300 -0.009 0.000 1.230 288 P CA -0.186 62.930 63.100 0.026 0.000 0.788 288 P CB 1.702 33.395 31.700 -0.012 0.000 0.949 289 L N 2.332 123.482 121.223 -0.121 0.000 2.331 289 L HA 0.316 4.655 4.340 -0.001 0.000 0.278 289 L C 0.887 177.685 176.870 -0.120 0.000 1.106 289 L CA -0.049 54.690 54.840 -0.167 0.000 0.824 289 L CB -0.045 41.839 42.059 -0.291 0.000 1.142 289 L HN 0.254 nan 8.230 nan 0.000 0.443 290 M N 2.677 122.214 119.600 -0.105 0.000 2.364 290 M HA 0.329 4.809 4.480 -0.001 0.000 0.334 290 M C -0.783 175.435 176.300 -0.136 0.000 1.107 290 M CA -0.691 54.549 55.300 -0.100 0.000 0.988 290 M CB 1.992 34.554 32.600 -0.064 0.000 1.673 290 M HN 0.434 nan 8.290 nan 0.000 0.441 291 D N 1.718 121.976 120.400 -0.237 0.000 2.345 291 D HA 0.199 4.839 4.640 -0.001 0.000 0.247 291 D C 0.377 176.539 176.300 -0.229 0.000 1.108 291 D CA 0.109 53.918 54.000 -0.319 0.000 0.894 291 D CB 2.277 42.680 40.800 -0.662 0.000 1.203 291 D HN 0.319 nan 8.370 nan 0.000 0.430 292 V N 0.958 120.858 119.914 -0.025 0.000 2.948 292 V HA 0.402 4.522 4.120 -0.001 0.000 0.234 292 V C 0.942 177.189 176.094 0.256 0.000 1.205 292 V CA 0.714 63.080 62.300 0.111 0.000 1.234 292 V CB 0.534 32.396 31.823 0.066 0.000 1.020 292 V HN 0.747 nan 8.190 nan 0.000 0.491 293 G N -0.612 108.350 108.800 0.271 0.000 2.427 293 G HA2 0.501 4.460 3.960 -0.001 0.000 0.306 293 G HA3 0.501 4.460 3.960 -0.001 0.000 0.306 293 G C -2.076 172.971 174.900 0.246 0.000 1.280 293 G CA 0.059 45.255 45.100 0.160 0.000 0.837 293 G HN 0.386 nan 8.290 nan 0.000 0.482 294 Y N -1.097 119.108 120.300 -0.158 0.000 2.615 294 Y HA 0.868 5.418 4.550 -0.001 0.000 0.341 294 Y C -1.088 174.978 175.900 0.275 0.000 1.089 294 Y CA -2.832 55.350 58.100 0.137 0.000 1.049 294 Y CB 1.327 39.841 38.460 0.091 0.000 1.296 294 Y HN 1.081 nan 8.280 nan 0.000 0.470 295 F N -0.429 119.761 119.950 0.401 0.000 2.577 295 F HA 0.851 5.378 4.527 -0.001 0.000 0.318 295 F C -1.065 174.966 175.800 0.385 0.000 1.065 295 F CA -1.279 56.921 58.000 0.334 0.000 0.929 295 F CB 2.336 41.676 39.000 0.567 0.000 1.237 295 F HN 0.746 nan 8.300 nan 0.000 0.468 296 E N 2.278 122.790 120.200 0.520 0.000 2.272 296 E HA 0.517 4.866 4.350 -0.001 0.000 0.269 296 E C -2.124 174.722 176.600 0.410 0.000 0.877 296 E CA -0.996 55.659 56.400 0.426 0.000 0.755 296 E CB 1.908 31.806 29.700 0.329 0.000 1.192 296 E HN 0.737 nan 8.360 nan 0.000 0.422 297 L N 4.646 126.107 121.223 0.396 0.000 2.257 297 L HA 0.321 4.660 4.340 -0.001 0.000 0.290 297 L C 0.111 176.977 176.870 -0.006 0.000 1.044 297 L CA -0.025 54.963 54.840 0.247 0.000 0.810 297 L CB 0.734 43.009 42.059 0.361 0.000 1.193 297 L HN 0.649 nan 8.230 nan 0.000 0.425 298 N N 1.721 120.305 118.700 -0.193 0.000 2.118 298 N HA 0.143 4.883 4.740 -0.001 0.000 0.226 298 N C 0.112 175.400 175.510 -0.370 0.000 1.305 298 N CA -0.302 52.319 53.050 -0.714 0.000 0.890 298 N CB 0.512 38.430 38.487 -0.948 0.000 1.118 298 N HN 0.349 nan 8.380 nan 0.000 0.511 299 R N 0.448 120.904 120.500 -0.074 0.000 2.514 299 R HA 0.361 4.701 4.340 -0.001 0.000 0.296 299 R C -1.278 175.116 176.300 0.157 0.000 1.012 299 R CA -0.489 55.625 56.100 0.024 0.000 0.897 299 R CB 1.087 31.419 30.300 0.052 0.000 1.184 299 R HN 0.156 nan 8.270 nan 0.000 0.440 300 N N 3.801 122.548 118.700 0.079 0.000 2.518 300 N HA 0.166 4.905 4.740 -0.001 0.000 0.266 300 N C -2.356 173.342 175.510 0.315 0.000 1.196 300 N CA -1.212 51.919 53.050 0.135 0.000 0.947 300 N CB 0.855 39.284 38.487 -0.097 0.000 1.098 300 N HN 0.264 nan 8.380 nan 0.000 0.450 301 P HA 0.055 nan 4.420 nan 0.000 0.272 301 P C -0.185 177.315 177.300 0.333 0.000 1.223 301 P CA -0.219 63.186 63.100 0.509 0.000 0.784 301 P CB 0.731 32.717 31.700 0.477 0.000 0.923 302 D N 0.109 120.648 120.400 0.230 0.000 2.097 302 D HA -0.099 4.541 4.640 -0.001 0.000 0.195 302 D C 0.431 176.843 176.300 0.186 0.000 0.989 302 D CA 1.701 55.800 54.000 0.164 0.000 0.827 302 D CB 0.038 40.886 40.800 0.079 0.000 0.966 302 D HN 0.387 nan 8.370 nan 0.000 0.456 303 N N -0.863 117.951 118.700 0.189 0.000 2.500 303 N HA -0.042 4.697 4.740 -0.001 0.000 0.291 303 N C -0.069 175.575 175.510 0.223 0.000 1.092 303 N CA -0.323 52.844 53.050 0.196 0.000 0.890 303 N CB 1.294 39.869 38.487 0.146 0.000 1.466 303 N HN -0.125 nan 8.380 nan 0.000 0.507 304 Y N 4.349 124.742 120.300 0.155 0.000 2.145 304 Y HA -0.205 4.345 4.550 -0.001 0.000 0.286 304 Y C 1.741 177.717 175.900 0.128 0.000 1.145 304 Y CA 1.802 59.989 58.100 0.145 0.000 1.148 304 Y CB -0.118 38.425 38.460 0.138 0.000 0.981 304 Y HN 0.661 nan 8.280 nan 0.000 0.507 305 F N -0.384 119.657 119.950 0.151 0.000 2.102 305 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 305 F C 2.683 178.442 175.800 -0.069 0.000 1.105 305 F CA 2.035 60.063 58.000 0.046 0.000 1.239 305 F CB -0.918 38.134 39.000 0.088 0.000 0.991 305 F HN 0.002 nan 8.300 nan 0.000 0.474 306 S N -0.582 115.140 115.700 0.036 0.000 2.402 306 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 306 S C 1.544 176.015 174.600 -0.215 0.000 1.021 306 S CA 1.581 59.740 58.200 -0.068 0.000 0.974 306 S CB -0.294 62.962 63.200 0.093 0.000 0.800 306 S HN 0.473 nan 8.310 nan 0.000 0.484 307 D N -0.559 119.717 120.400 -0.207 0.000 2.525 307 D HA 0.170 4.809 4.640 -0.001 0.000 0.248 307 D C 1.833 177.847 176.300 -0.477 0.000 1.000 307 D CA 0.619 54.437 54.000 -0.303 0.000 0.923 307 D CB 0.029 40.784 40.800 -0.075 0.000 1.101 307 D HN 0.259 nan 8.370 nan 0.000 0.493 308 V N 0.781 120.436 119.914 -0.431 0.000 2.490 308 V HA -0.044 4.076 4.120 -0.001 0.000 0.238 308 V C 2.298 178.113 176.094 -0.466 0.000 1.056 308 V CA 0.843 62.898 62.300 -0.409 0.000 1.075 308 V CB -0.127 31.271 31.823 -0.708 0.000 0.746 308 V HN -0.028 nan 8.190 nan 0.000 0.479 309 E N 1.014 120.837 120.200 -0.629 0.000 2.058 309 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 309 E C 2.093 178.434 176.600 -0.431 0.000 0.997 309 E CA 1.733 57.887 56.400 -0.411 0.000 0.801 309 E CB -0.266 29.241 29.700 -0.322 0.000 0.746 309 E HN 0.624 nan 8.360 nan 0.000 0.450 310 Q N -0.244 119.211 119.800 -0.575 0.000 2.415 310 Q HA 0.229 4.568 4.340 -0.001 0.000 0.206 310 Q C -0.141 175.614 176.000 -0.408 0.000 0.946 310 Q CA 0.127 55.632 55.803 -0.496 0.000 0.951 310 Q CB 0.375 28.787 28.738 -0.543 0.000 1.026 310 Q HN 0.225 nan 8.270 nan 0.000 0.510 311 A N 0.984 123.568 122.820 -0.393 0.000 2.445 311 A HA 0.535 4.854 4.320 -0.001 0.000 0.242 311 A C -0.167 177.150 177.584 -0.445 0.000 1.075 311 A CA 0.080 51.841 52.037 -0.461 0.000 0.777 311 A CB 0.405 19.168 19.000 -0.395 0.000 1.013 311 A HN 0.267 nan 8.150 nan 0.000 0.493 312 A N 1.667 124.107 122.820 -0.633 0.000 2.411 312 A HA 0.671 4.990 4.320 -0.001 0.000 0.285 312 A C -0.984 176.239 177.584 -0.601 0.000 1.129 312 A CA -0.399 51.198 52.037 -0.733 0.000 0.736 312 A CB 0.379 18.731 19.000 -1.081 0.000 1.186 312 A HN 0.614 nan 8.150 nan 0.000 0.445 313 F N 1.270 121.123 119.950 -0.161 0.000 2.450 313 F HA 0.774 5.301 4.527 -0.001 0.000 0.332 313 F C 0.859 176.707 175.800 0.079 0.000 1.093 313 F CA -0.311 57.633 58.000 -0.093 0.000 1.003 313 F CB 2.436 41.325 39.000 -0.185 0.000 1.151 313 F HN 0.469 nan 8.300 nan 0.000 0.474 314 S N 2.566 118.335 115.700 0.116 0.000 2.566 314 S HA 0.414 4.884 4.470 -0.001 0.000 0.273 314 S C -2.365 172.150 174.600 -0.142 0.000 1.157 314 S CA -1.337 56.825 58.200 -0.063 0.000 0.938 314 S CB 1.759 65.026 63.200 0.111 0.000 1.087 314 S HN 0.247 nan 8.310 nan 0.000 0.474 315 P HA 0.039 nan 4.420 nan 0.000 0.222 315 P C 1.063 178.459 177.300 0.161 0.000 1.147 315 P CA 1.029 64.101 63.100 -0.046 0.000 0.790 315 P CB 0.095 31.718 31.700 -0.128 0.000 0.780 316 A N -0.881 121.985 122.820 0.075 0.000 2.216 316 A HA -0.100 4.220 4.320 -0.001 0.000 0.214 316 A C 1.031 178.770 177.584 0.259 0.000 1.160 316 A CA 0.617 52.782 52.037 0.213 0.000 0.725 316 A CB -1.355 17.705 19.000 0.100 0.000 0.784 316 A HN 0.267 nan 8.150 nan 0.000 0.472 317 N N 0.122 118.931 118.700 0.182 0.000 2.968 317 N HA 0.392 5.131 4.740 -0.001 0.000 0.271 317 N C -1.088 174.561 175.510 0.232 0.000 1.174 317 N CA -0.184 52.958 53.050 0.154 0.000 1.096 317 N CB 0.272 38.803 38.487 0.072 0.000 1.403 317 N HN 0.353 nan 8.380 nan 0.000 0.522 318 I N 1.585 122.284 120.570 0.216 0.000 2.525 318 I HA 0.302 4.472 4.170 -0.001 0.000 0.301 318 I C 0.056 176.178 176.117 0.007 0.000 0.992 318 I CA -0.815 60.573 61.300 0.147 0.000 1.162 318 I CB 1.461 39.492 38.000 0.051 0.000 1.332 318 I HN 0.016 nan 8.210 nan 0.000 0.458 319 V N 3.281 123.128 119.914 -0.112 0.000 3.177 319 V HA 0.725 4.845 4.120 -0.001 0.000 0.319 319 V C -2.666 173.311 176.094 -0.194 0.000 1.125 319 V CA -2.483 59.718 62.300 -0.166 0.000 1.029 319 V CB 0.962 32.664 31.823 -0.202 0.000 1.119 319 V HN 0.548 nan 8.190 nan 0.000 0.452 320 P HA 0.420 nan 4.420 nan 0.000 0.271 320 P C 0.759 178.015 177.300 -0.072 0.000 1.220 320 P CA 1.644 64.687 63.100 -0.095 0.000 0.768 320 P CB 0.913 32.567 31.700 -0.076 0.000 0.848 321 G N 2.341 111.126 108.800 -0.025 0.000 2.175 321 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.244 321 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.244 321 G C 0.019 174.912 174.900 -0.012 0.000 0.982 321 G CA -0.349 44.737 45.100 -0.023 0.000 0.641 321 G HN 0.471 nan 8.290 nan 0.000 0.527 322 I N 0.372 120.914 120.570 -0.046 0.000 2.545 322 I HA 0.740 4.910 4.170 -0.001 0.000 0.292 322 I C 0.160 176.269 176.117 -0.014 0.000 1.040 322 I CA -0.675 60.672 61.300 0.078 0.000 1.068 322 I CB 2.145 40.041 38.000 -0.172 0.000 1.251 322 I HN 0.155 nan 8.210 nan 0.000 0.424 323 S N 3.448 119.191 115.700 0.071 0.000 2.843 323 S HA 0.696 5.165 4.470 -0.001 0.000 0.301 323 S C -1.100 173.505 174.600 0.007 0.000 1.206 323 S CA -0.428 57.642 58.200 -0.216 0.000 0.875 323 S CB 0.951 64.052 63.200 -0.165 0.000 1.248 323 S HN 0.300 nan 8.310 nan 0.000 0.555 324 F N 1.876 122.005 119.950 0.298 0.000 2.355 324 F HA 0.786 5.313 4.527 -0.000 0.000 0.340 324 F C 0.996 176.933 175.800 0.228 0.000 1.067 324 F CA -0.344 57.790 58.000 0.224 0.000 1.116 324 F CB 0.322 39.382 39.000 0.100 0.000 1.582 324 F HN 0.640 nan 8.300 nan 0.000 0.512 325 S N -1.671 114.171 115.700 0.237 0.000 2.618 325 S HA 0.513 4.983 4.470 -0.001 0.000 0.277 325 S C -2.748 171.681 174.600 -0.286 0.000 1.138 325 S CA -1.350 56.816 58.200 -0.058 0.000 0.844 325 S CB 1.686 64.707 63.200 -0.299 0.000 1.127 325 S HN 0.195 nan 8.310 nan 0.000 0.474 326 P HA 0.103 nan 4.420 nan 0.000 0.251 326 P C -0.390 176.676 177.300 -0.390 0.000 1.251 326 P CA 0.328 63.137 63.100 -0.484 0.000 0.763 326 P CB -0.393 30.965 31.700 -0.569 0.000 1.067 327 D N 0.833 121.037 120.400 -0.328 0.000 2.451 327 D HA -0.061 4.579 4.640 -0.001 0.000 0.254 327 D C 1.025 177.281 176.300 -0.073 0.000 1.204 327 D CA 0.366 54.314 54.000 -0.086 0.000 0.896 327 D CB 0.717 41.521 40.800 0.007 0.000 1.136 327 D HN 0.055 nan 8.370 nan 0.000 0.499 328 K N 3.485 123.873 120.400 -0.020 0.000 2.160 328 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 328 K C 1.875 178.473 176.600 -0.003 0.000 1.047 328 K CA 0.964 57.246 56.287 -0.010 0.000 0.930 328 K CB 0.013 32.531 32.500 0.030 0.000 0.720 328 K HN 0.532 nan 8.250 nan 0.000 0.450 329 M N 0.609 120.238 119.600 0.048 0.000 2.200 329 M HA -0.083 4.396 4.480 -0.001 0.000 0.265 329 M C 2.237 178.523 176.300 -0.023 0.000 1.066 329 M CA 1.139 56.490 55.300 0.085 0.000 1.127 329 M CB -0.589 32.130 32.600 0.198 0.000 1.379 329 M HN 0.236 nan 8.290 nan 0.000 0.420 330 L N 0.121 121.202 121.223 -0.237 0.000 2.056 330 L HA -0.239 4.101 4.340 -0.001 0.000 0.207 330 L C 2.577 179.226 176.870 -0.369 0.000 1.078 330 L CA 1.340 55.790 54.840 -0.651 0.000 0.749 330 L CB -0.303 41.254 42.059 -0.836 0.000 0.901 330 L HN 0.352 nan 8.230 nan 0.000 0.433 331 Q N -0.392 119.253 119.800 -0.259 0.000 2.061 331 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 331 Q C 2.038 177.953 176.000 -0.142 0.000 0.984 331 Q CA 1.836 57.511 55.803 -0.213 0.000 0.846 331 Q CB -0.638 28.016 28.738 -0.141 0.000 0.902 331 Q HN 0.640 nan 8.270 nan 0.000 0.421 332 G N 0.882 109.634 108.800 -0.081 0.000 2.422 332 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 332 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 332 G C 1.522 176.425 174.900 0.006 0.000 1.146 332 G CA 0.499 45.591 45.100 -0.013 0.000 0.769 332 G HN 0.282 nan 8.290 nan 0.000 0.547 333 R N -0.578 119.888 120.500 -0.057 0.000 2.127 333 R HA -0.011 4.329 4.340 -0.001 0.000 0.238 333 R C 2.272 178.569 176.300 -0.005 0.000 1.134 333 R CA 0.599 56.711 56.100 0.019 0.000 0.975 333 R CB -0.426 29.837 30.300 -0.062 0.000 0.865 333 R HN 0.239 nan 8.270 nan 0.000 0.447 334 L N -0.264 120.882 121.223 -0.128 0.000 2.349 334 L HA -0.168 4.171 4.340 -0.001 0.000 0.220 334 L C 1.755 178.634 176.870 0.014 0.000 1.130 334 L CA 1.511 56.261 54.840 -0.150 0.000 0.791 334 L CB -0.516 41.355 42.059 -0.314 0.000 0.918 334 L HN 0.129 nan 8.230 nan 0.000 0.444 335 F N -1.285 118.617 119.950 -0.080 0.000 2.315 335 F HA 0.007 4.534 4.527 -0.001 0.000 0.284 335 F C 2.698 178.472 175.800 -0.045 0.000 1.049 335 F CA 1.042 59.008 58.000 -0.057 0.000 1.323 335 F CB -0.635 38.331 39.000 -0.057 0.000 1.113 335 F HN -0.011 nan 8.300 nan 0.000 0.544 336 S N -0.384 115.193 115.700 -0.204 0.000 2.368 336 S HA -0.240 4.230 4.470 -0.001 0.000 0.225 336 S C 2.108 176.458 174.600 -0.416 0.000 1.030 336 S CA 1.619 59.574 58.200 -0.408 0.000 0.999 336 S CB -0.961 62.121 63.200 -0.196 0.000 0.844 336 S HN 0.476 nan 8.310 nan 0.000 0.459 337 Y N 1.737 121.802 120.300 -0.392 0.000 2.224 337 Y HA 0.069 4.619 4.550 -0.000 0.000 0.289 337 Y C 2.855 178.226 175.900 -0.882 0.000 1.146 337 Y CA 1.091 58.875 58.100 -0.527 0.000 1.182 337 Y CB -1.065 37.187 38.460 -0.347 0.000 0.983 337 Y HN 0.431 nan 8.280 nan 0.000 0.524 338 G N -0.896 107.665 108.800 -0.399 0.000 2.403 338 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 338 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 338 G C 1.256 175.976 174.900 -0.299 0.000 1.154 338 G CA 1.120 46.038 45.100 -0.303 0.000 0.784 338 G HN 0.387 nan 8.290 nan 0.000 0.538 339 D N 0.784 120.926 120.400 -0.429 0.000 2.117 339 D HA 0.032 4.671 4.640 -0.001 0.000 0.198 339 D C 2.695 178.842 176.300 -0.255 0.000 0.982 339 D CA 1.339 55.105 54.000 -0.391 0.000 0.828 339 D CB -0.287 40.053 40.800 -0.766 0.000 0.967 339 D HN 0.212 nan 8.370 nan 0.000 0.464 340 A N -0.490 122.139 122.820 -0.318 0.000 1.908 340 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 340 A C 1.982 179.547 177.584 -0.032 0.000 1.181 340 A CA 1.872 53.805 52.037 -0.174 0.000 0.627 340 A CB -1.099 17.748 19.000 -0.254 0.000 0.818 340 A HN 0.517 nan 8.150 nan 0.000 0.445 341 H N -1.089 117.897 119.070 -0.140 0.000 2.357 341 H HA -0.040 4.516 4.556 -0.001 0.000 0.301 341 H C 2.433 177.642 175.328 -0.199 0.000 1.082 341 H CA 1.147 57.041 56.048 -0.256 0.000 1.342 341 H CB -0.028 29.425 29.762 -0.516 0.000 1.389 341 H HN 0.389 nan 8.280 nan 0.000 0.511 342 R N -0.039 120.484 120.500 0.037 0.000 2.120 342 R HA -0.171 4.168 4.340 -0.001 0.000 0.234 342 R C 1.996 178.349 176.300 0.088 0.000 1.123 342 R CA 1.438 57.592 56.100 0.090 0.000 0.975 342 R CB -0.242 30.109 30.300 0.085 0.000 0.866 342 R HN 0.395 nan 8.270 nan 0.000 0.446 343 Y N 1.220 121.501 120.300 -0.032 0.000 2.153 343 Y HA -0.120 4.429 4.550 -0.001 0.000 0.289 343 Y C 2.523 178.411 175.900 -0.021 0.000 1.119 343 Y CA 1.324 59.408 58.100 -0.026 0.000 1.116 343 Y CB -0.241 38.195 38.460 -0.040 0.000 1.004 343 Y HN -0.205 nan 8.280 nan 0.000 0.501 344 R N -0.126 120.337 120.500 -0.062 0.000 2.091 344 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 344 R C 1.737 177.930 176.300 -0.177 0.000 1.136 344 R CA 2.330 58.325 56.100 -0.174 0.000 0.959 344 R CB -0.293 30.003 30.300 -0.007 0.000 0.856 344 R HN 0.507 nan 8.270 nan 0.000 0.437 345 L N -1.782 119.368 121.223 -0.121 0.000 2.577 345 L HA 0.386 4.726 4.340 -0.001 0.000 0.225 345 L C 0.654 177.500 176.870 -0.040 0.000 1.053 345 L CA 0.163 54.944 54.840 -0.099 0.000 0.866 345 L CB 0.915 42.896 42.059 -0.130 0.000 1.132 345 L HN 0.452 nan 8.230 nan 0.000 0.486 346 G N -0.515 108.287 108.800 0.003 0.000 2.484 346 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.685 346 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.685 346 G C -0.066 174.922 174.900 0.148 0.000 1.294 346 G CA -0.371 44.754 45.100 0.042 0.000 0.879 346 G HN -0.306 nan 8.290 nan 0.000 0.646 347 V N 0.504 120.478 119.914 0.100 0.000 2.594 347 V HA -0.056 4.063 4.120 -0.001 0.000 0.253 347 V C 1.605 177.719 176.094 0.032 0.000 1.069 347 V CA 2.236 64.597 62.300 0.102 0.000 1.082 347 V CB -0.289 31.561 31.823 0.046 0.000 0.680 347 V HN 0.618 nan 8.190 nan 0.000 0.469 348 N N 0.145 118.836 118.700 -0.014 0.000 2.451 348 N HA 0.066 4.806 4.740 -0.001 0.000 0.264 348 N C 1.144 176.468 175.510 -0.311 0.000 1.167 348 N CA 0.148 53.101 53.050 -0.162 0.000 0.898 348 N CB -0.145 38.233 38.487 -0.182 0.000 1.176 348 N HN 0.761 nan 8.380 nan 0.000 0.507 349 H N 0.282 119.293 119.070 -0.098 0.000 2.541 349 H HA -0.119 4.437 4.556 -0.001 0.000 0.289 349 H C 1.425 176.664 175.328 -0.149 0.000 1.054 349 H CA 0.862 56.825 56.048 -0.141 0.000 1.250 349 H CB -0.498 29.188 29.762 -0.127 0.000 1.369 349 H HN 0.506 nan 8.280 nan 0.000 0.578 350 H N 1.032 119.917 119.070 -0.309 0.000 2.518 350 H HA -0.076 4.480 4.556 -0.001 0.000 0.289 350 H C 1.146 176.431 175.328 -0.072 0.000 1.051 350 H CA 1.001 56.955 56.048 -0.156 0.000 1.280 350 H CB -0.269 29.457 29.762 -0.059 0.000 1.380 350 H HN 0.459 nan 8.280 nan 0.000 0.566 351 Q N 0.770 120.274 119.800 -0.494 0.000 2.311 351 Q HA 0.168 4.508 4.340 -0.001 0.000 0.203 351 Q C 0.663 176.571 176.000 -0.154 0.000 0.954 351 Q CA 0.044 55.681 55.803 -0.276 0.000 0.885 351 Q CB 0.389 28.941 28.738 -0.310 0.000 0.963 351 Q HN 0.443 nan 8.270 nan 0.000 0.471 352 I N 3.256 123.733 120.570 -0.154 0.000 2.618 352 I HA -0.063 4.107 4.170 -0.001 0.000 0.284 352 I C -1.332 174.700 176.117 -0.143 0.000 1.146 352 I CA -1.363 59.854 61.300 -0.139 0.000 1.425 352 I CB 0.793 38.695 38.000 -0.163 0.000 1.383 352 I HN -0.005 nan 8.210 nan 0.000 0.562 353 P HA -0.192 nan 4.420 nan 0.000 0.215 353 P C 1.656 178.848 177.300 -0.181 0.000 1.153 353 P CA 1.166 64.179 63.100 -0.145 0.000 0.853 353 P CB 0.199 31.822 31.700 -0.129 0.000 0.788 354 V N 0.225 120.010 119.914 -0.215 0.000 2.867 354 V HA -0.117 4.002 4.120 -0.001 0.000 0.260 354 V C 1.502 177.472 176.094 -0.206 0.000 1.099 354 V CA 1.836 63.978 62.300 -0.263 0.000 1.122 354 V CB -1.087 30.418 31.823 -0.531 0.000 0.708 354 V HN 0.070 nan 8.190 nan 0.000 0.490 355 N N 0.401 118.978 118.700 -0.205 0.000 2.254 355 N HA 0.255 4.994 4.740 -0.001 0.000 0.190 355 N C 0.563 176.011 175.510 -0.103 0.000 1.107 355 N CA 0.707 53.651 53.050 -0.176 0.000 0.869 355 N CB 0.352 38.732 38.487 -0.178 0.000 0.983 355 N HN 0.504 nan 8.380 nan 0.000 0.487 356 A N 2.787 125.538 122.820 -0.115 0.000 2.425 356 A HA 0.357 4.677 4.320 -0.001 0.000 0.249 356 A C -2.104 175.371 177.584 -0.180 0.000 1.084 356 A CA -0.944 50.992 52.037 -0.169 0.000 0.781 356 A CB -0.009 18.905 19.000 -0.143 0.000 1.019 356 A HN -0.031 nan 8.150 nan 0.000 0.490 357 P HA 0.188 nan 4.420 nan 0.000 0.271 357 P C -0.796 176.415 177.300 -0.148 0.000 1.218 357 P CA -0.129 62.828 63.100 -0.239 0.000 0.780 357 P CB 0.701 32.130 31.700 -0.451 0.000 0.901 358 K N 1.576 121.953 120.400 -0.038 0.000 2.655 358 K HA 0.445 4.765 4.320 -0.001 0.000 0.213 358 K C -0.834 175.761 176.600 -0.009 0.000 1.126 358 K CA -0.275 55.972 56.287 -0.068 0.000 1.076 358 K CB -0.253 32.173 32.500 -0.124 0.000 1.644 358 K HN 0.510 nan 8.250 nan 0.000 0.523 359 C N 0.281 119.586 119.300 0.008 0.000 3.253 359 C HA 0.284 4.744 4.460 -0.001 0.000 0.361 359 C C -2.427 172.624 174.990 0.101 0.000 1.498 359 C CA -1.214 57.831 59.018 0.045 0.000 1.163 359 C CB 0.692 28.459 27.740 0.044 0.000 1.687 359 C HN 0.501 nan 8.230 nan 0.000 0.430 360 P HA 0.069 nan 4.420 nan 0.000 0.255 360 P C -1.306 176.137 177.300 0.238 0.000 1.114 360 P CA 1.156 64.337 63.100 0.134 0.000 0.765 360 P CB -0.268 31.480 31.700 0.079 0.000 0.694 361 F N 3.926 123.902 119.950 0.043 0.000 2.839 361 F HA 0.318 4.845 4.527 -0.001 0.000 0.344 361 F C -1.520 174.352 175.800 0.120 0.000 1.242 361 F CA -1.083 56.951 58.000 0.056 0.000 1.091 361 F CB 0.860 39.880 39.000 0.032 0.000 1.374 361 F HN 0.278 nan 8.300 nan 0.000 0.553 362 H N 5.352 124.349 119.070 -0.121 0.000 2.675 362 H HA 0.342 4.898 4.556 -0.001 0.000 0.258 362 H C -0.743 174.478 175.328 -0.178 0.000 1.271 362 H CA -0.339 55.600 56.048 -0.181 0.000 1.462 362 H CB 0.452 30.198 29.762 -0.028 0.000 1.467 362 H HN 0.682 nan 8.280 nan 0.000 0.501 363 N N 3.546 121.890 118.700 -0.592 0.000 2.431 363 N HA -0.084 4.655 4.740 -0.001 0.000 0.265 363 N C 0.444 175.682 175.510 -0.454 0.000 1.184 363 N CA -0.006 52.704 53.050 -0.566 0.000 0.943 363 N CB 0.513 38.530 38.487 -0.784 0.000 1.080 363 N HN 0.659 nan 8.380 nan 0.000 0.477 364 Y N 4.685 124.544 120.300 -0.736 0.000 2.509 364 Y HA -0.023 4.527 4.550 -0.001 0.000 0.293 364 Y C 0.342 175.846 175.900 -0.660 0.000 1.133 364 Y CA 0.597 58.112 58.100 -0.974 0.000 1.283 364 Y CB -0.032 37.767 38.460 -1.101 0.000 1.001 364 Y HN 0.581 nan 8.280 nan 0.000 0.555 365 H N 1.614 120.509 119.070 -0.291 0.000 2.848 365 H HA 0.125 4.681 4.556 -0.001 0.000 0.317 365 H C 0.897 176.058 175.328 -0.278 0.000 1.046 365 H CA 0.119 56.028 56.048 -0.231 0.000 1.470 365 H CB 0.922 30.638 29.762 -0.077 0.000 1.483 365 H HN 0.351 nan 8.280 nan 0.000 0.548 366 R N 1.496 121.889 120.500 -0.178 0.000 2.027 366 R HA -0.011 4.329 4.340 -0.001 0.000 0.191 366 R C -0.350 175.921 176.300 -0.048 0.000 1.221 366 R CA 0.444 56.453 56.100 -0.152 0.000 1.133 366 R CB 0.135 30.335 30.300 -0.167 0.000 0.770 366 R HN 0.644 nan 8.270 nan 0.000 0.515 367 D N 0.665 121.052 120.400 -0.022 0.000 2.454 367 D HA 0.216 4.856 4.640 -0.001 0.000 0.225 367 D C 0.105 176.413 176.300 0.012 0.000 1.081 367 D CA -0.027 53.970 54.000 -0.004 0.000 0.864 367 D CB 1.421 42.217 40.800 -0.007 0.000 1.040 367 D HN 0.415 nan 8.370 nan 0.000 0.517 368 G N 1.102 109.917 108.800 0.025 0.000 2.467 368 G HA2 0.300 4.260 3.960 -0.001 0.000 0.243 368 G HA3 0.300 4.260 3.960 -0.001 0.000 0.243 368 G C 0.766 175.673 174.900 0.012 0.000 1.521 368 G CA 0.524 45.639 45.100 0.025 0.000 1.055 368 G HN 0.457 nan 8.290 nan 0.000 0.553 369 A N -1.768 121.056 122.820 0.006 0.000 1.993 369 A HA 0.459 4.779 4.320 -0.001 0.000 0.202 369 A C 1.334 178.914 177.584 -0.006 0.000 1.461 369 A CA 1.033 53.071 52.037 0.000 0.000 0.824 369 A CB 0.129 19.128 19.000 -0.002 0.000 1.024 369 A HN 0.566 nan 8.150 nan 0.000 0.507 370 M N 1.060 120.652 119.600 -0.014 0.000 2.986 370 M HA 0.472 4.952 4.480 -0.001 0.000 0.241 370 M C -0.371 175.916 176.300 -0.022 0.000 1.191 370 M CA -0.508 54.782 55.300 -0.017 0.000 1.143 370 M CB 0.110 32.697 32.600 -0.021 0.000 1.242 370 M HN 0.101 nan 8.290 nan 0.000 0.543 371 R N 1.878 122.373 120.500 -0.008 0.000 2.308 371 R HA 0.352 4.691 4.340 -0.001 0.000 0.325 371 R C -0.452 175.849 176.300 0.001 0.000 1.161 371 R CA 0.080 56.181 56.100 0.001 0.000 1.022 371 R CB -0.126 30.183 30.300 0.016 0.000 1.091 371 R HN 0.548 nan 8.270 nan 0.000 0.497 372 V N 2.806 122.715 119.914 -0.007 0.000 3.565 372 V HA -0.020 4.100 4.120 -0.001 0.000 0.260 372 V C 0.952 177.052 176.094 0.009 0.000 1.231 372 V CA 1.119 63.417 62.300 -0.002 0.000 1.100 372 V CB 0.142 31.957 31.823 -0.013 0.000 0.807 372 V HN 0.804 nan 8.190 nan 0.000 0.454 373 D N 0.418 120.832 120.400 0.024 0.000 2.336 373 D HA 0.175 4.815 4.640 -0.001 0.000 0.229 373 D C 1.555 177.875 176.300 0.034 0.000 1.061 373 D CA 0.969 54.996 54.000 0.044 0.000 0.875 373 D CB 0.337 41.197 40.800 0.101 0.000 0.904 373 D HN 0.388 nan 8.370 nan 0.000 0.525 374 G N -0.184 108.629 108.800 0.021 0.000 2.213 374 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.226 374 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.226 374 G C 0.423 175.326 174.900 0.004 0.000 0.992 374 G CA 0.044 45.150 45.100 0.010 0.000 0.632 374 G HN 0.614 nan 8.290 nan 0.000 0.511 375 N N -1.144 117.561 118.700 0.009 0.000 6.961 375 N HA -0.197 4.542 4.740 -0.001 0.000 0.424 375 N C 1.322 176.811 175.510 -0.036 0.000 0.941 375 N CA 2.221 55.268 53.050 -0.005 0.000 1.267 375 N CB -1.274 37.208 38.487 -0.009 0.000 0.829 375 N HN 1.210 nan 8.380 nan 0.000 0.253 376 S N -0.547 115.112 115.700 -0.069 0.000 2.558 376 S HA 0.492 4.962 4.470 -0.001 0.000 0.217 376 S C 0.885 175.490 174.600 0.008 0.000 0.975 376 S CA 1.169 59.315 58.200 -0.091 0.000 0.912 376 S CB 0.139 63.198 63.200 -0.234 0.000 0.776 376 S HN 1.450 nan 8.310 nan 0.000 0.526 377 G N 0.625 109.427 108.800 0.004 0.000 2.352 377 G HA2 0.234 4.194 3.960 -0.001 0.000 0.303 377 G HA3 0.234 4.194 3.960 -0.001 0.000 0.303 377 G C -0.920 173.989 174.900 0.015 0.000 1.593 377 G CA -0.862 44.254 45.100 0.027 0.000 0.963 377 G HN 0.017 nan 8.290 nan 0.000 0.685 378 N N -0.153 118.554 118.700 0.011 0.000 2.203 378 N HA 0.244 4.983 4.740 -0.001 0.000 0.207 378 N C 1.275 176.798 175.510 0.022 0.000 1.130 378 N CA 0.871 53.928 53.050 0.012 0.000 0.861 378 N CB 1.439 39.929 38.487 0.005 0.000 1.005 378 N HN 0.799 nan 8.380 nan 0.000 0.507 379 G N 0.081 108.898 108.800 0.028 0.000 2.667 379 G HA2 0.376 4.335 3.960 -0.001 0.000 0.209 379 G HA3 0.376 4.335 3.960 -0.001 0.000 0.209 379 G C -0.141 174.809 174.900 0.084 0.000 1.963 379 G CA -0.305 44.819 45.100 0.040 0.000 0.728 379 G HN 0.083 nan 8.290 nan 0.000 0.807 380 I N 2.325 122.923 120.570 0.046 0.000 2.416 380 I HA 0.231 4.401 4.170 -0.001 0.000 0.288 380 I C 0.657 176.836 176.117 0.104 0.000 1.051 380 I CA 0.187 61.488 61.300 0.002 0.000 1.375 380 I CB 1.645 39.492 38.000 -0.254 0.000 1.407 380 I HN 0.426 nan 8.210 nan 0.000 0.516 381 T N 2.264 116.949 114.554 0.218 0.000 3.296 381 T HA 0.285 4.635 4.350 -0.001 0.000 0.285 381 T C -0.430 174.412 174.700 0.236 0.000 1.014 381 T CA -0.454 61.749 62.100 0.172 0.000 0.920 381 T CB -0.433 68.449 68.868 0.023 0.000 1.143 381 T HN 0.467 nan 8.240 nan 0.000 0.522 382 Y N -1.823 118.641 120.300 0.273 0.000 2.609 382 Y HA 0.900 5.449 4.550 -0.001 0.000 0.342 382 Y C -0.886 175.182 175.900 0.280 0.000 1.058 382 Y CA -1.666 56.589 58.100 0.258 0.000 1.055 382 Y CB 1.411 39.960 38.460 0.149 0.000 1.292 382 Y HN 0.011 nan 8.280 nan 0.000 0.476 383 E N 2.471 122.836 120.200 0.276 0.000 2.335 383 E HA 0.372 4.722 4.350 -0.001 0.000 0.280 383 E C -2.974 173.731 176.600 0.174 0.000 0.918 383 E CA -1.868 54.631 56.400 0.164 0.000 0.765 383 E CB 2.349 32.121 29.700 0.121 0.000 1.218 383 E HN 0.801 nan 8.360 nan 0.000 0.425 384 P HA 0.305 nan 4.420 nan 0.000 0.271 384 P C -0.919 176.509 177.300 0.213 0.000 1.218 384 P CA -0.174 63.014 63.100 0.148 0.000 0.780 384 P CB 0.797 32.563 31.700 0.110 0.000 0.901 385 N N -1.329 117.430 118.700 0.097 0.000 2.853 385 N HA 0.309 5.049 4.740 -0.001 0.000 0.258 385 N C -0.380 175.161 175.510 0.052 0.000 1.444 385 N CA -0.960 52.135 53.050 0.076 0.000 0.837 385 N CB 0.607 38.884 38.487 -0.350 0.000 1.489 385 N HN 0.061 nan 8.380 nan 0.000 0.529 386 S N -1.627 114.109 115.700 0.060 0.000 2.572 386 S HA 0.301 4.770 4.470 -0.001 0.000 0.228 386 S C 0.810 175.408 174.600 -0.002 0.000 0.963 386 S CA -0.129 58.092 58.200 0.035 0.000 0.939 386 S CB -0.079 63.154 63.200 0.054 0.000 0.804 386 S HN 0.773 nan 8.310 nan 0.000 0.480 387 G N 0.578 109.354 108.800 -0.041 0.000 3.774 387 G HA2 0.449 4.409 3.960 -0.001 0.000 0.287 387 G HA3 0.449 4.409 3.960 -0.001 0.000 0.287 387 G C 0.777 175.626 174.900 -0.085 0.000 1.030 387 G CA -0.077 44.987 45.100 -0.059 0.000 0.824 387 G HN 0.539 nan 8.290 nan 0.000 0.518 388 G N -0.099 108.659 108.800 -0.070 0.000 2.393 388 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.299 388 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.299 388 G C 0.907 175.735 174.900 -0.121 0.000 0.990 388 G CA 0.707 45.764 45.100 -0.072 0.000 1.118 388 G HN 1.046 nan 8.290 nan 0.000 0.513 389 V N -1.243 118.567 119.914 -0.174 0.000 3.085 389 V HA 0.570 4.690 4.120 -0.001 0.000 0.245 389 V C 0.679 176.570 176.094 -0.338 0.000 1.114 389 V CA 0.848 62.955 62.300 -0.322 0.000 1.108 389 V CB 0.107 31.654 31.823 -0.460 0.000 0.798 389 V HN 0.362 nan 8.190 nan 0.000 0.471 390 F N 1.937 121.931 119.950 0.073 0.000 2.523 390 F HA 0.565 5.092 4.527 -0.000 0.000 0.322 390 F C 0.028 175.852 175.800 0.041 0.000 1.361 390 F CA -1.030 57.025 58.000 0.092 0.000 1.151 390 F CB 0.786 39.792 39.000 0.009 0.000 1.391 390 F HN 0.061 nan 8.300 nan 0.000 0.566 391 Q N 2.271 122.168 119.800 0.162 0.000 2.288 391 Q HA 0.124 4.463 4.340 -0.001 0.000 0.258 391 Q C 0.479 176.542 176.000 0.105 0.000 0.957 391 Q CA -0.254 55.610 55.803 0.100 0.000 0.919 391 Q CB 1.164 29.934 28.738 0.053 0.000 1.185 391 Q HN 0.682 nan 8.270 nan 0.000 0.408 392 E N 1.869 122.117 120.200 0.080 0.000 2.436 392 E HA -0.057 4.292 4.350 -0.001 0.000 0.262 392 E C -0.736 175.920 176.600 0.093 0.000 1.063 392 E CA 0.128 56.572 56.400 0.074 0.000 0.944 392 E CB 0.518 30.248 29.700 0.051 0.000 0.950 392 E HN 0.399 nan 8.360 nan 0.000 0.444 393 Q N 2.387 122.262 119.800 0.125 0.000 2.706 393 Q HA 0.171 4.511 4.340 -0.001 0.000 0.250 393 Q C -1.953 174.176 176.000 0.215 0.000 1.120 393 Q CA -1.752 54.167 55.803 0.193 0.000 0.972 393 Q CB 1.171 30.084 28.738 0.292 0.000 1.173 393 Q HN 0.533 nan 8.270 nan 0.000 0.522 394 P HA -0.122 nan 4.420 nan 0.000 0.230 394 P C 0.319 177.634 177.300 0.024 0.000 1.158 394 P CA 0.796 63.937 63.100 0.069 0.000 0.769 394 P CB 0.394 32.115 31.700 0.035 0.000 0.807 395 D N -1.245 119.125 120.400 -0.051 0.000 2.264 395 D HA -0.070 4.570 4.640 -0.001 0.000 0.208 395 D C 0.856 176.965 176.300 -0.319 0.000 0.966 395 D CA 0.982 54.840 54.000 -0.236 0.000 0.864 395 D CB -0.357 40.206 40.800 -0.395 0.000 0.933 395 D HN 0.273 nan 8.370 nan 0.000 0.499 396 F N 0.578 120.527 119.950 -0.003 0.000 2.641 396 F HA 0.184 4.711 4.527 -0.001 0.000 0.302 396 F C 1.216 177.012 175.800 -0.007 0.000 1.098 396 F CA -0.443 57.552 58.000 -0.007 0.000 1.318 396 F CB 0.036 39.032 39.000 -0.007 0.000 1.035 396 F HN -0.351 nan 8.300 nan 0.000 0.551 397 K N 2.137 122.620 120.400 0.138 0.000 2.344 397 K HA 0.055 4.374 4.320 -0.001 0.000 0.260 397 K C 0.309 176.947 176.600 0.063 0.000 0.988 397 K CA 0.029 56.369 56.287 0.088 0.000 0.909 397 K CB 0.494 33.025 32.500 0.052 0.000 0.968 397 K HN 0.379 nan 8.250 nan 0.000 0.505 398 E N 2.444 122.671 120.200 0.045 0.000 2.336 398 E HA 0.476 4.826 4.350 -0.001 0.000 0.267 398 E C -2.603 174.003 176.600 0.010 0.000 0.906 398 E CA -2.263 54.153 56.400 0.025 0.000 0.781 398 E CB 1.434 31.147 29.700 0.021 0.000 1.261 398 E HN 0.330 nan 8.360 nan 0.000 0.436 399 P HA 0.162 nan 4.420 nan 0.000 0.269 399 P C -2.344 174.948 177.300 -0.013 0.000 1.215 399 P CA -0.881 62.208 63.100 -0.020 0.000 0.780 399 P CB -0.484 31.188 31.700 -0.046 0.000 0.898 400 P HA 0.115 nan 4.420 nan 0.000 0.268 400 P C -0.475 176.826 177.300 0.001 0.000 1.208 400 P CA -0.004 63.099 63.100 0.004 0.000 0.777 400 P CB 0.225 31.927 31.700 0.003 0.000 0.875 401 L N 1.599 122.834 121.223 0.020 0.000 2.334 401 L HA 0.435 4.774 4.340 -0.001 0.000 0.273 401 L C -0.403 176.488 176.870 0.034 0.000 1.013 401 L CA -0.120 54.738 54.840 0.030 0.000 0.816 401 L CB 1.615 43.715 42.059 0.068 0.000 1.278 401 L HN 0.237 nan 8.230 nan 0.000 0.431 402 S N 5.250 120.973 115.700 0.039 0.000 2.489 402 S HA 0.546 5.016 4.470 -0.001 0.000 0.277 402 S C -0.180 174.442 174.600 0.036 0.000 1.230 402 S CA -0.519 57.700 58.200 0.033 0.000 1.053 402 S CB 0.404 63.623 63.200 0.031 0.000 0.955 402 S HN 0.355 nan 8.310 nan 0.000 0.488 403 I N 3.524 124.109 120.570 0.026 0.000 2.428 403 I HA 0.338 4.507 4.170 -0.001 0.000 0.296 403 I C 0.447 176.570 176.117 0.009 0.000 0.985 403 I CA -0.734 60.577 61.300 0.018 0.000 1.260 403 I CB 1.131 39.145 38.000 0.024 0.000 1.389 403 I HN 0.736 nan 8.210 nan 0.000 0.484 404 E N 4.381 124.574 120.200 -0.012 0.000 2.502 404 E HA 0.654 5.003 4.350 -0.001 0.000 0.261 404 E C -0.338 176.224 176.600 -0.063 0.000 0.974 404 E CA -0.852 55.533 56.400 -0.025 0.000 0.795 404 E CB 1.608 31.291 29.700 -0.030 0.000 1.385 404 E HN 0.825 nan 8.360 nan 0.000 0.400 405 G N 0.848 109.645 108.800 -0.005 0.000 2.333 405 G HA2 0.365 4.324 3.960 -0.001 0.000 0.330 405 G HA3 0.365 4.324 3.960 -0.001 0.000 0.330 405 G C -1.001 174.011 174.900 0.187 0.000 1.465 405 G CA -0.483 44.642 45.100 0.043 0.000 0.996 405 G HN 0.646 nan 8.290 nan 0.000 0.655 406 A N -0.279 122.755 122.820 0.357 0.000 2.296 406 A HA 0.907 5.227 4.320 -0.001 0.000 0.264 406 A C 1.007 178.818 177.584 0.378 0.000 1.097 406 A CA 0.731 52.942 52.037 0.291 0.000 0.811 406 A CB 0.490 19.625 19.000 0.224 0.000 1.072 406 A HN 2.516 nan 8.150 nan 0.000 0.495 407 A N 0.712 123.639 122.820 0.179 0.000 2.309 407 A HA 0.584 4.904 4.320 -0.001 0.000 0.290 407 A C -0.301 177.268 177.584 -0.025 0.000 1.206 407 A CA -0.066 52.048 52.037 0.128 0.000 0.850 407 A CB 0.041 19.064 19.000 0.039 0.000 1.118 407 A HN 0.875 nan 8.150 nan 0.000 0.523 408 D N -0.571 119.755 120.400 -0.124 0.000 2.692 408 D HA 0.174 4.813 4.640 -0.001 0.000 0.290 408 D C -1.091 174.965 176.300 -0.406 0.000 1.281 408 D CA -0.477 53.261 54.000 -0.437 0.000 0.804 408 D CB 0.805 41.085 40.800 -0.868 0.000 1.331 408 D HN 0.524 nan 8.370 nan 0.000 0.432 409 H N 1.417 120.321 119.070 -0.276 0.000 3.157 409 H HA 0.115 4.671 4.556 -0.001 0.000 0.260 409 H C -0.443 174.788 175.328 -0.162 0.000 1.232 409 H CA 0.178 56.154 56.048 -0.119 0.000 1.488 409 H CB -0.252 29.461 29.762 -0.082 0.000 1.548 409 H HN 0.117 nan 8.280 nan 0.000 0.487 410 W N 2.710 124.082 121.300 0.120 0.000 2.287 410 W HA 0.053 4.713 4.660 -0.000 0.000 0.313 410 W C 1.039 177.626 176.519 0.113 0.000 1.267 410 W CA -0.466 56.936 57.345 0.096 0.000 1.201 410 W CB 0.417 29.919 29.460 0.070 0.000 1.196 410 W HN 0.456 nan 8.180 nan 0.000 0.536 411 N N 2.804 121.673 118.700 0.283 0.000 2.452 411 N HA -0.086 4.654 4.740 -0.001 0.000 0.266 411 N C 1.012 176.637 175.510 0.191 0.000 1.175 411 N CA 0.249 53.401 53.050 0.171 0.000 0.945 411 N CB 0.557 39.092 38.487 0.079 0.000 1.063 411 N HN 0.599 nan 8.380 nan 0.000 0.472 412 H N 2.623 121.788 119.070 0.158 0.000 2.502 412 H HA 0.165 4.721 4.556 -0.001 0.000 0.283 412 H C 0.752 176.151 175.328 0.120 0.000 1.015 412 H CA 0.952 57.084 56.048 0.140 0.000 1.298 412 H CB 0.110 29.957 29.762 0.141 0.000 1.411 412 H HN 0.440 nan 8.280 nan 0.000 0.556 413 R N 1.079 121.436 120.500 -0.239 0.000 2.386 413 R HA -0.002 4.338 4.340 -0.001 0.000 0.216 413 R C 0.692 176.981 176.300 -0.018 0.000 1.119 413 R CA 0.296 56.330 56.100 -0.109 0.000 1.158 413 R CB 0.014 30.230 30.300 -0.139 0.000 1.057 413 R HN 0.634 nan 8.270 nan 0.000 0.489 414 E N 0.409 120.616 120.200 0.012 0.000 2.170 414 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 414 E C 0.166 176.745 176.600 -0.034 0.000 0.981 414 E CA 0.440 56.848 56.400 0.012 0.000 0.830 414 E CB 0.153 29.883 29.700 0.051 0.000 0.775 414 E HN 0.181 nan 8.360 nan 0.000 0.470 415 D N 1.605 121.982 120.400 -0.039 0.000 2.336 415 D HA 0.010 4.649 4.640 -0.001 0.000 0.249 415 D C -0.298 175.807 176.300 -0.326 0.000 1.213 415 D CA 0.197 54.133 54.000 -0.106 0.000 0.870 415 D CB 0.578 41.358 40.800 -0.033 0.000 1.076 415 D HN -0.073 nan 8.370 nan 0.000 0.483 416 E N 2.545 122.503 120.200 -0.403 0.000 2.499 416 E HA 0.030 4.380 4.350 -0.001 0.000 0.207 416 E C -0.562 175.578 176.600 -0.767 0.000 1.034 416 E CA -0.213 55.700 56.400 -0.813 0.000 1.098 416 E CB 0.437 29.937 29.700 -0.334 0.000 1.148 416 E HN 0.292 nan 8.360 nan 0.000 0.447 417 D N -0.030 120.046 120.400 -0.540 0.000 2.631 417 D HA 0.022 4.662 4.640 -0.001 0.000 0.227 417 D C -0.042 176.060 176.300 -0.329 0.000 1.146 417 D CA -0.279 53.548 54.000 -0.288 0.000 1.009 417 D CB -0.087 40.647 40.800 -0.110 0.000 1.057 417 D HN 0.122 nan 8.370 nan 0.000 0.509 418 Y N 0.407 120.458 120.300 -0.414 0.000 2.544 418 Y HA 0.131 4.681 4.550 -0.001 0.000 0.286 418 Y C 1.000 176.492 175.900 -0.681 0.000 1.141 418 Y CA 0.163 57.873 58.100 -0.651 0.000 1.299 418 Y CB -0.168 37.672 38.460 -1.033 0.000 1.030 418 Y HN 0.266 nan 8.280 nan 0.000 0.543 419 F N -2.035 117.990 119.950 0.126 0.000 2.740 419 F HA 0.082 4.609 4.527 -0.001 0.000 0.304 419 F C 2.283 178.100 175.800 0.029 0.000 1.098 419 F CA 0.280 58.325 58.000 0.076 0.000 1.258 419 F CB -0.657 38.388 39.000 0.075 0.000 1.061 419 F HN -0.084 nan 8.300 nan 0.000 0.598 420 S N 0.237 116.032 115.700 0.159 0.000 2.356 420 S HA -0.215 4.254 4.470 -0.001 0.000 0.223 420 S C 1.796 176.402 174.600 0.010 0.000 1.032 420 S CA 1.204 59.458 58.200 0.089 0.000 1.005 420 S CB -0.653 62.584 63.200 0.062 0.000 0.867 420 S HN 0.441 nan 8.310 nan 0.000 0.449 421 Q N 1.277 121.019 119.800 -0.097 0.000 2.123 421 Q HA 0.052 4.392 4.340 -0.001 0.000 0.199 421 Q C -0.466 175.300 176.000 -0.391 0.000 0.966 421 Q CA 1.090 56.737 55.803 -0.261 0.000 0.845 421 Q CB -1.337 27.189 28.738 -0.354 0.000 0.907 421 Q HN 0.494 nan 8.270 nan 0.000 0.439 422 P HA -0.193 nan 4.420 nan 0.000 0.215 422 P C 1.165 178.525 177.300 0.100 0.000 1.153 422 P CA 1.328 64.386 63.100 -0.070 0.000 0.853 422 P CB -0.140 31.632 31.700 0.120 0.000 0.788 423 R N 0.034 120.612 120.500 0.131 0.000 2.083 423 R HA -0.139 4.201 4.340 -0.001 0.000 0.237 423 R C 2.154 178.564 176.300 0.182 0.000 1.137 423 R CA 1.925 58.141 56.100 0.193 0.000 0.951 423 R CB -1.043 29.365 30.300 0.179 0.000 0.851 423 R HN 0.061 nan 8.270 nan 0.000 0.434 424 A N 0.656 123.536 122.820 0.099 0.000 1.972 424 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 424 A C 2.001 179.635 177.584 0.084 0.000 1.169 424 A CA 1.331 53.415 52.037 0.078 0.000 0.635 424 A CB -0.522 18.495 19.000 0.028 0.000 0.810 424 A HN 0.406 nan 8.150 nan 0.000 0.446 425 L N -2.052 119.222 121.223 0.085 0.000 2.068 425 L HA -0.017 4.323 4.340 -0.001 0.000 0.204 425 L C 2.242 179.180 176.870 0.113 0.000 1.076 425 L CA 2.071 56.971 54.840 0.099 0.000 0.753 425 L CB -0.996 41.142 42.059 0.131 0.000 0.910 425 L HN 0.485 nan 8.230 nan 0.000 0.439 426 Y N 1.111 121.401 120.300 -0.017 0.000 2.102 426 Y HA -0.317 4.232 4.550 -0.001 0.000 0.280 426 Y C 2.284 178.211 175.900 0.045 0.000 1.178 426 Y CA 2.446 60.486 58.100 -0.101 0.000 1.146 426 Y CB -0.174 38.143 38.460 -0.239 0.000 0.968 426 Y HN 0.413 nan 8.280 nan 0.000 0.504 427 E N -0.315 119.959 120.200 0.122 0.000 2.482 427 E HA -0.081 4.269 4.350 -0.001 0.000 0.196 427 E C 1.832 178.433 176.600 0.001 0.000 1.047 427 E CA 0.579 57.014 56.400 0.059 0.000 0.869 427 E CB -0.117 29.666 29.700 0.137 0.000 0.836 427 E HN 0.529 nan 8.360 nan 0.000 0.520 428 L N 0.496 121.718 121.223 -0.002 0.000 2.492 428 L HA 0.010 4.350 4.340 -0.001 0.000 0.223 428 L C 0.319 177.134 176.870 -0.090 0.000 1.132 428 L CA 0.095 54.921 54.840 -0.022 0.000 0.850 428 L CB 0.145 42.210 42.059 0.010 0.000 0.966 428 L HN 0.064 nan 8.230 nan 0.000 0.454 429 L N -0.709 120.415 121.223 -0.165 0.000 2.344 429 L HA 0.298 4.638 4.340 -0.001 0.000 0.272 429 L C 0.793 177.332 176.870 -0.552 0.000 1.035 429 L CA -0.293 54.370 54.840 -0.295 0.000 0.807 429 L CB 1.419 43.307 42.059 -0.285 0.000 1.237 429 L HN 0.041 nan 8.230 nan 0.000 0.442 430 S N 0.254 115.668 115.700 -0.476 0.000 2.606 430 S HA 0.104 4.574 4.470 -0.001 0.000 0.257 430 S C 0.678 174.856 174.600 -0.705 0.000 1.327 430 S CA -0.368 57.551 58.200 -0.469 0.000 0.984 430 S CB 0.571 63.604 63.200 -0.279 0.000 0.941 430 S HN 0.606 nan 8.310 nan 0.000 0.576 431 D N 0.481 120.629 120.400 -0.420 0.000 2.234 431 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 431 D C 1.167 177.327 176.300 -0.234 0.000 0.962 431 D CA 1.137 54.954 54.000 -0.304 0.000 0.855 431 D CB -0.352 40.381 40.800 -0.112 0.000 0.951 431 D HN 0.622 nan 8.370 nan 0.000 0.500 432 D N 0.874 121.145 120.400 -0.214 0.000 2.084 432 D HA -0.130 4.509 4.640 -0.001 0.000 0.196 432 D C 1.901 178.080 176.300 -0.201 0.000 0.985 432 D CA 0.817 54.722 54.000 -0.159 0.000 0.826 432 D CB -0.048 40.677 40.800 -0.126 0.000 0.978 432 D HN 0.199 nan 8.370 nan 0.000 0.456 433 E N -0.396 119.644 120.200 -0.267 0.000 2.085 433 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 433 E C 1.756 178.165 176.600 -0.319 0.000 0.994 433 E CA 1.088 57.331 56.400 -0.262 0.000 0.801 433 E CB 0.004 29.538 29.700 -0.276 0.000 0.743 433 E HN 0.538 nan 8.360 nan 0.000 0.453 434 H N -1.096 117.688 119.070 -0.476 0.000 2.421 434 H HA -0.103 4.453 4.556 -0.001 0.000 0.298 434 H C 2.123 176.781 175.328 -1.116 0.000 1.087 434 H CA 0.903 56.448 56.048 -0.838 0.000 1.330 434 H CB 0.202 29.472 29.762 -0.820 0.000 1.388 434 H HN 0.082 nan 8.280 nan 0.000 0.526 435 Q N 0.542 120.094 119.800 -0.414 0.000 2.119 435 Q HA -0.052 4.287 4.340 -0.001 0.000 0.201 435 Q C 2.142 178.065 176.000 -0.128 0.000 0.972 435 Q CA 1.025 56.727 55.803 -0.168 0.000 0.847 435 Q CB 0.149 28.880 28.738 -0.011 0.000 0.903 435 Q HN 0.378 nan 8.270 nan 0.000 0.433 436 R N -0.639 119.768 120.500 -0.155 0.000 2.070 436 R HA -0.077 4.262 4.340 -0.001 0.000 0.233 436 R C 2.332 178.588 176.300 -0.075 0.000 1.137 436 R CA 1.662 57.712 56.100 -0.084 0.000 0.945 436 R CB -0.406 29.847 30.300 -0.080 0.000 0.845 436 R HN 0.344 nan 8.270 nan 0.000 0.430 437 M N 0.110 119.612 119.600 -0.163 0.000 2.082 437 M HA -0.207 4.273 4.480 -0.001 0.000 0.258 437 M C 2.059 178.376 176.300 0.027 0.000 1.069 437 M CA 1.821 57.067 55.300 -0.090 0.000 1.102 437 M CB -0.546 31.954 32.600 -0.167 0.000 1.336 437 M HN 0.034 nan 8.290 nan 0.000 0.404 438 F N 0.571 120.541 119.950 0.035 0.000 2.161 438 F HA -0.129 4.398 4.527 -0.001 0.000 0.300 438 F C 2.745 178.527 175.800 -0.030 0.000 1.089 438 F CA 1.123 59.116 58.000 -0.012 0.000 1.282 438 F CB -1.640 37.363 39.000 0.005 0.000 1.010 438 F HN 0.135 nan 8.300 nan 0.000 0.485 439 A N 0.223 123.137 122.820 0.158 0.000 1.898 439 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 439 A C 2.405 180.026 177.584 0.063 0.000 1.181 439 A CA 1.193 53.282 52.037 0.087 0.000 0.620 439 A CB -0.572 18.464 19.000 0.059 0.000 0.819 439 A HN 0.275 nan 8.150 nan 0.000 0.442 440 R N -0.576 119.963 120.500 0.066 0.000 2.081 440 R HA -0.047 4.293 4.340 -0.001 0.000 0.235 440 R C 1.953 178.310 176.300 0.095 0.000 1.131 440 R CA 1.614 57.762 56.100 0.081 0.000 0.960 440 R CB -0.496 29.858 30.300 0.089 0.000 0.856 440 R HN 0.568 nan 8.270 nan 0.000 0.436 441 I N 0.509 121.124 120.570 0.075 0.000 2.286 441 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 441 I C 2.624 178.676 176.117 -0.109 0.000 1.104 441 I CA 1.109 62.411 61.300 0.004 0.000 1.397 441 I CB -0.362 37.581 38.000 -0.095 0.000 1.072 441 I HN 0.137 nan 8.210 nan 0.000 0.417 442 A N 0.950 123.729 122.820 -0.068 0.000 1.933 442 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 442 A C 2.438 179.985 177.584 -0.062 0.000 1.175 442 A CA 1.806 53.791 52.037 -0.088 0.000 0.628 442 A CB -1.484 17.491 19.000 -0.041 0.000 0.814 442 A HN 0.459 nan 8.150 nan 0.000 0.444 443 G N -0.797 107.997 108.800 -0.011 0.000 2.462 443 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.220 443 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.220 443 G C 1.443 176.356 174.900 0.022 0.000 1.121 443 G CA 1.105 46.212 45.100 0.012 0.000 0.758 443 G HN 0.674 nan 8.290 nan 0.000 0.559 444 E N -0.891 119.324 120.200 0.024 0.000 2.079 444 E HA 0.099 4.449 4.350 -0.001 0.000 0.191 444 E C 2.247 178.787 176.600 -0.100 0.000 0.961 444 E CA -0.030 56.423 56.400 0.089 0.000 0.823 444 E CB -0.129 29.771 29.700 0.333 0.000 0.789 444 E HN 0.265 nan 8.360 nan 0.000 0.459 445 L N 1.580 122.560 121.223 -0.406 0.000 2.201 445 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 445 L C 2.166 178.903 176.870 -0.222 0.000 1.105 445 L CA 1.686 56.185 54.840 -0.568 0.000 0.775 445 L CB -0.485 41.123 42.059 -0.751 0.000 0.913 445 L HN 0.039 nan 8.230 nan 0.000 0.440 446 S N -1.370 114.248 115.700 -0.136 0.000 2.400 446 S HA -0.264 4.206 4.470 -0.001 0.000 0.232 446 S C 1.748 176.326 174.600 -0.037 0.000 1.025 446 S CA 1.215 59.372 58.200 -0.071 0.000 0.993 446 S CB -0.705 62.466 63.200 -0.049 0.000 0.808 446 S HN 0.677 nan 8.310 nan 0.000 0.478 447 Q N 1.100 120.888 119.800 -0.021 0.000 2.488 447 Q HA 0.314 4.653 4.340 -0.001 0.000 0.211 447 Q C 0.995 177.007 176.000 0.019 0.000 0.967 447 Q CA 0.585 56.391 55.803 0.005 0.000 0.926 447 Q CB -0.266 28.488 28.738 0.026 0.000 0.992 447 Q HN 0.746 nan 8.270 nan 0.000 0.506 448 A N 0.767 123.602 122.820 0.026 0.000 2.246 448 A HA 0.344 4.663 4.320 -0.001 0.000 0.291 448 A C 0.102 177.716 177.584 0.050 0.000 1.103 448 A CA -0.508 51.571 52.037 0.071 0.000 0.844 448 A CB 0.732 19.809 19.000 0.130 0.000 1.136 448 A HN 0.138 nan 8.150 nan 0.000 0.500 449 S N -0.852 114.891 115.700 0.073 0.000 2.558 449 S HA -0.013 4.457 4.470 -0.001 0.000 0.291 449 S C 1.222 175.846 174.600 0.040 0.000 1.306 449 S CA 0.332 58.567 58.200 0.058 0.000 1.056 449 S CB 0.288 63.537 63.200 0.081 0.000 0.836 449 S HN 0.672 nan 8.310 nan 0.000 0.504 450 K N 2.291 122.705 120.400 0.024 0.000 2.097 450 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 450 K C 2.087 178.694 176.600 0.013 0.000 1.049 450 K CA 1.730 58.024 56.287 0.011 0.000 0.933 450 K CB -0.185 32.317 32.500 0.004 0.000 0.717 450 K HN 0.858 nan 8.250 nan 0.000 0.442 451 E N -0.332 119.881 120.200 0.022 0.000 2.085 451 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 451 E C 1.472 178.084 176.600 0.020 0.000 0.994 451 E CA 1.675 58.086 56.400 0.018 0.000 0.801 451 E CB 0.088 29.805 29.700 0.029 0.000 0.743 451 E HN 0.220 nan 8.360 nan 0.000 0.453 452 T N 0.940 115.524 114.554 0.051 0.000 2.777 452 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 452 T C 1.807 176.540 174.700 0.055 0.000 1.040 452 T CA 1.330 63.477 62.100 0.078 0.000 1.141 452 T CB -0.135 68.824 68.868 0.151 0.000 0.868 452 T HN 0.281 nan 8.240 nan 0.000 0.444 453 Q N 0.433 120.249 119.800 0.026 0.000 2.084 453 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 453 Q C 2.505 178.499 176.000 -0.011 0.000 0.978 453 Q CA 1.276 57.073 55.803 -0.010 0.000 0.844 453 Q CB -0.198 28.522 28.738 -0.029 0.000 0.898 453 Q HN 0.351 nan 8.270 nan 0.000 0.426 454 Q N 1.116 120.909 119.800 -0.012 0.000 1.993 454 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 454 Q C 1.955 177.938 176.000 -0.028 0.000 0.984 454 Q CA 1.635 57.425 55.803 -0.021 0.000 0.837 454 Q CB -0.213 28.513 28.738 -0.020 0.000 0.902 454 Q HN 0.173 nan 8.270 nan 0.000 0.423 455 R N -0.447 120.033 120.500 -0.035 0.000 2.117 455 R HA -0.235 4.104 4.340 -0.001 0.000 0.243 455 R C 2.156 178.416 176.300 -0.066 0.000 1.143 455 R CA 1.905 57.967 56.100 -0.063 0.000 0.968 455 R CB -0.117 30.127 30.300 -0.094 0.000 0.863 455 R HN 0.268 nan 8.270 nan 0.000 0.444 456 Q N 0.590 120.371 119.800 -0.031 0.000 2.119 456 Q HA -0.046 4.293 4.340 -0.001 0.000 0.201 456 Q C 1.907 177.870 176.000 -0.061 0.000 0.972 456 Q CA 1.518 57.285 55.803 -0.059 0.000 0.847 456 Q CB -0.089 28.684 28.738 0.058 0.000 0.903 456 Q HN 0.447 nan 8.270 nan 0.000 0.433 457 I N 0.485 121.075 120.570 0.034 0.000 2.315 457 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 457 I C 1.333 177.451 176.117 0.003 0.000 1.117 457 I CA 1.070 62.423 61.300 0.089 0.000 1.404 457 I CB -0.241 37.768 38.000 0.015 0.000 1.071 457 I HN 0.185 nan 8.210 nan 0.000 0.419 458 D N 0.687 121.059 120.400 -0.047 0.000 2.149 458 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 458 D C 2.091 178.327 176.300 -0.107 0.000 0.990 458 D CA 1.200 55.155 54.000 -0.074 0.000 0.839 458 D CB -0.175 40.584 40.800 -0.069 0.000 0.948 458 D HN 0.139 nan 8.370 nan 0.000 0.460 459 L N -0.317 120.828 121.223 -0.131 0.000 2.027 459 L HA -0.102 4.238 4.340 -0.001 0.000 0.206 459 L C 2.124 178.881 176.870 -0.188 0.000 1.074 459 L CA 1.210 55.966 54.840 -0.140 0.000 0.745 459 L CB -0.691 41.237 42.059 -0.218 0.000 0.898 459 L HN -0.016 nan 8.230 nan 0.000 0.433 460 F N -0.441 119.399 119.950 -0.182 0.000 2.171 460 F HA -0.206 4.321 4.527 -0.001 0.000 0.300 460 F C 2.503 178.118 175.800 -0.309 0.000 1.090 460 F CA 1.585 59.347 58.000 -0.397 0.000 1.293 460 F CB -1.520 37.098 39.000 -0.638 0.000 1.013 460 F HN 0.054 nan 8.300 nan 0.000 0.486 461 T N -0.125 114.405 114.554 -0.040 0.000 2.720 461 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 461 T C 1.886 176.499 174.700 -0.146 0.000 1.037 461 T CA 1.418 63.471 62.100 -0.079 0.000 1.144 461 T CB -0.290 68.523 68.868 -0.090 0.000 0.864 461 T HN 0.245 nan 8.240 nan 0.000 0.444 462 K N 0.661 120.893 120.400 -0.279 0.000 2.283 462 K HA 0.012 4.332 4.320 -0.001 0.000 0.202 462 K C 2.200 178.542 176.600 -0.430 0.000 1.048 462 K CA 0.560 56.524 56.287 -0.539 0.000 0.948 462 K CB -0.237 31.578 32.500 -1.142 0.000 0.742 462 K HN 0.213 nan 8.250 nan 0.000 0.458 463 V N -0.256 119.589 119.914 -0.115 0.000 2.323 463 V HA -0.140 3.979 4.120 -0.001 0.000 0.244 463 V C 0.480 176.638 176.094 0.106 0.000 1.041 463 V CA 1.286 63.666 62.300 0.134 0.000 1.025 463 V CB -0.388 31.631 31.823 0.326 0.000 0.656 463 V HN 0.369 nan 8.190 nan 0.000 0.451 464 H N -1.371 117.654 119.070 -0.074 0.000 3.151 464 H HA 0.227 4.783 4.556 -0.001 0.000 0.333 464 H C -2.374 172.896 175.328 -0.098 0.000 1.093 464 H CA -0.940 55.046 56.048 -0.103 0.000 1.342 464 H CB 2.331 31.961 29.762 -0.219 0.000 1.983 464 H HN -0.194 nan 8.280 nan 0.000 0.503 465 P HA -0.189 nan 4.420 nan 0.000 0.218 465 P C 0.733 178.091 177.300 0.097 0.000 1.149 465 P CA 1.554 64.668 63.100 0.023 0.000 0.817 465 P CB 0.269 31.947 31.700 -0.037 0.000 0.785 466 E N -1.903 118.465 120.200 0.281 0.000 2.427 466 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 466 E C 1.895 178.547 176.600 0.087 0.000 1.028 466 E CA 0.228 56.727 56.400 0.166 0.000 0.864 466 E CB -0.762 29.095 29.700 0.261 0.000 0.813 466 E HN 0.111 nan 8.360 nan 0.000 0.514 467 Y N 1.771 121.972 120.300 -0.165 0.000 2.206 467 Y HA 0.174 4.723 4.550 -0.000 0.000 0.292 467 Y C 2.346 178.095 175.900 -0.251 0.000 1.123 467 Y CA 1.379 59.362 58.100 -0.195 0.000 1.142 467 Y CB -0.770 37.328 38.460 -0.604 0.000 1.006 467 Y HN 0.100 nan 8.280 nan 0.000 0.518 468 G N 0.083 108.836 108.800 -0.078 0.000 2.446 468 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 468 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 468 G C 1.899 176.682 174.900 -0.196 0.000 1.168 468 G CA 1.471 46.498 45.100 -0.122 0.000 0.771 468 G HN 0.562 nan 8.290 nan 0.000 0.551 469 A N 0.995 123.703 122.820 -0.186 0.000 1.858 469 A HA 0.128 4.448 4.320 -0.001 0.000 0.216 469 A C 2.783 180.131 177.584 -0.394 0.000 1.190 469 A CA 2.252 54.161 52.037 -0.213 0.000 0.617 469 A CB -1.327 17.591 19.000 -0.136 0.000 0.827 469 A HN 0.634 nan 8.150 nan 0.000 0.443 470 G N -0.610 107.740 108.800 -0.749 0.000 2.505 470 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.220 470 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.220 470 G C 1.529 175.837 174.900 -0.987 0.000 1.145 470 G CA 1.464 45.633 45.100 -1.551 0.000 0.761 470 G HN 0.358 nan 8.290 nan 0.000 0.571 471 V N 0.402 119.917 119.914 -0.665 0.000 2.358 471 V HA -0.121 3.999 4.120 -0.001 0.000 0.246 471 V C 2.567 178.523 176.094 -0.230 0.000 1.047 471 V CA 2.206 64.308 62.300 -0.329 0.000 1.035 471 V CB -0.245 31.334 31.823 -0.407 0.000 0.658 471 V HN 0.583 nan 8.190 nan 0.000 0.452 472 E N 0.187 120.256 120.200 -0.219 0.000 2.058 472 E HA -0.288 4.062 4.350 -0.001 0.000 0.194 472 E C 2.324 178.851 176.600 -0.121 0.000 0.997 472 E CA 1.652 57.967 56.400 -0.142 0.000 0.801 472 E CB -0.095 29.531 29.700 -0.124 0.000 0.746 472 E HN 0.499 nan 8.360 nan 0.000 0.450 473 K N -0.344 119.968 120.400 -0.147 0.000 2.057 473 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 473 K C 2.014 178.568 176.600 -0.077 0.000 1.049 473 K CA 1.111 57.332 56.287 -0.110 0.000 0.931 473 K CB -0.124 32.289 32.500 -0.145 0.000 0.714 473 K HN 0.166 nan 8.250 nan 0.000 0.440 474 A N 0.903 123.673 122.820 -0.085 0.000 1.929 474 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 474 A C 2.005 179.569 177.584 -0.034 0.000 1.176 474 A CA 1.047 53.070 52.037 -0.024 0.000 0.628 474 A CB -0.402 18.614 19.000 0.026 0.000 0.816 474 A HN 0.266 nan 8.150 nan 0.000 0.444 475 I N -0.480 120.053 120.570 -0.061 0.000 2.163 475 I HA -0.255 3.914 4.170 -0.001 0.000 0.240 475 I C 2.539 178.631 176.117 -0.041 0.000 1.081 475 I CA 1.820 63.086 61.300 -0.057 0.000 1.353 475 I CB -0.212 37.743 38.000 -0.075 0.000 1.054 475 I HN 0.356 nan 8.210 nan 0.000 0.407 476 K N 0.940 121.314 120.400 -0.043 0.000 2.103 476 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 476 K C 1.888 178.474 176.600 -0.022 0.000 1.048 476 K CA 1.309 57.576 56.287 -0.032 0.000 0.930 476 K CB -0.010 32.469 32.500 -0.036 0.000 0.716 476 K HN 0.121 nan 8.250 nan 0.000 0.444 477 V N 1.995 121.898 119.914 -0.019 0.000 3.186 477 V HA -0.121 3.999 4.120 -0.001 0.000 0.270 477 V C 1.216 177.306 176.094 -0.007 0.000 1.149 477 V CA 0.949 63.244 62.300 -0.009 0.000 1.160 477 V CB -0.643 31.179 31.823 -0.002 0.000 0.758 477 V HN 0.201 nan 8.190 nan 0.000 0.516 478 L N 0.000 121.217 121.223 -0.010 0.000 2.949 478 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 478 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 478 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502