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 1lfk_1_A DATA FIRST_RESID 5 DATA SEQUENCE DPRPLHIRRQ GLDPADELLA AGALTRVTXX XXXXAETHWM ATAHAVVRQV DATA SEQUENCE MGDHQQFSTR RRWDPXXXXX XXXXXXXXEL VGNLMDYDPP EHTRLRRKLT DATA SEQUENCE PGFTLRKMQR MAPYIEQIVN DRLDEMERAG SPADLIAFVA DKVPGAVLCE DATA SEQUENCE LVGVPRDDRD MFMKLCHGHL DASLSQKRRA ALGDKFSRYL LAMIARERKE DATA SEQUENCE PGEGMIGAVV AEYGDDATDE ELRGFCVQVM LAGDDNISGM IGLGVLAMLR DATA SEQUENCE HPEQIDAFRG DEQSAQRAVD ELIRYLTVPY SPTPRIARED LTLAGQEIKK DATA SEQUENCE GDSVICSLPA ANRDPALAPD VDRLDVTREP IPHVAFGHGV HHCLGAALAR DATA SEQUENCE LELRTVFTEL WRRFPALRLA DPAQDTEFRL TTPAYGLTEL MVAW 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.277 176.300 -0.038 0.000 2.045 5 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 5 D CB 0.000 40.776 40.800 -0.041 0.000 0.688 6 P HA 0.118 nan 4.420 nan 0.000 0.231 6 P C 0.165 177.432 177.300 -0.055 0.000 1.168 6 P CA -0.089 62.987 63.100 -0.039 0.000 0.779 6 P CB 0.493 32.173 31.700 -0.034 0.000 0.844 7 R N 1.624 122.079 120.500 -0.076 0.000 2.522 7 R HA 0.166 4.506 4.340 -0.001 0.000 0.284 7 R C -2.094 174.131 176.300 -0.126 0.000 1.032 7 R CA -1.355 54.674 56.100 -0.118 0.000 1.049 7 R CB -0.609 29.603 30.300 -0.147 0.000 0.956 7 R HN 0.185 nan 8.270 nan 0.000 0.422 8 P HA -0.086 nan 4.420 nan 0.000 0.266 8 P C 0.754 177.964 177.300 -0.150 0.000 1.193 8 P CA 0.123 63.158 63.100 -0.109 0.000 0.770 8 P CB 0.539 32.175 31.700 -0.107 0.000 0.836 9 L N 2.124 123.326 121.223 -0.036 0.000 2.043 9 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 9 L C 2.440 179.280 176.870 -0.050 0.000 1.075 9 L CA 1.668 56.487 54.840 -0.034 0.000 0.752 9 L CB -0.943 41.127 42.059 0.017 0.000 0.891 9 L HN 0.675 nan 8.230 nan 0.000 0.432 10 H N -0.512 118.514 119.070 -0.074 0.000 2.545 10 H HA -0.060 4.496 4.556 -0.001 0.000 0.282 10 H C 1.766 177.042 175.328 -0.087 0.000 1.020 10 H CA 0.920 56.936 56.048 -0.054 0.000 1.243 10 H CB -0.216 29.528 29.762 -0.031 0.000 1.377 10 H HN 0.426 nan 8.280 nan 0.000 0.581 11 I N 0.984 121.160 120.570 -0.656 0.000 3.883 11 I HA 0.070 4.240 4.170 -0.001 0.000 0.326 11 I C 0.376 176.203 176.117 -0.484 0.000 1.283 11 I CA -0.099 60.710 61.300 -0.817 0.000 1.161 11 I CB 0.099 37.503 38.000 -0.992 0.000 1.012 11 I HN -0.005 nan 8.210 nan 0.000 0.421 12 R N 2.471 122.803 120.500 -0.281 0.000 2.298 12 R HA 0.423 4.763 4.340 -0.001 0.000 0.310 12 R C -0.275 175.901 176.300 -0.206 0.000 1.068 12 R CA -0.374 55.598 56.100 -0.213 0.000 0.957 12 R CB 0.966 31.175 30.300 -0.152 0.000 1.003 12 R HN 0.044 nan 8.270 nan 0.000 0.454 13 R N 1.845 122.179 120.500 -0.277 0.000 2.892 13 R HA 0.284 4.623 4.340 -0.001 0.000 0.265 13 R C -0.794 175.359 176.300 -0.245 0.000 1.025 13 R CA -0.979 54.914 56.100 -0.345 0.000 0.982 13 R CB 1.956 31.808 30.300 -0.747 0.000 1.185 13 R HN 0.555 nan 8.270 nan 0.000 0.484 14 Q N 0.296 119.980 119.800 -0.193 0.000 2.397 14 Q HA 0.392 4.731 4.340 -0.001 0.000 0.260 14 Q C 0.109 176.058 176.000 -0.084 0.000 1.002 14 Q CA 0.205 55.942 55.803 -0.111 0.000 0.716 14 Q CB 1.201 29.904 28.738 -0.059 0.000 1.258 14 Q HN 0.875 nan 8.270 nan 0.000 0.477 15 G N 2.348 111.087 108.800 -0.102 0.000 2.556 15 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.283 15 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.283 15 G C 0.330 175.256 174.900 0.043 0.000 1.177 15 G CA 0.229 45.369 45.100 0.067 0.000 0.978 15 G HN 0.611 nan 8.290 nan 0.000 0.554 16 L N 1.779 123.105 121.223 0.172 0.000 2.592 16 L HA 0.291 4.631 4.340 -0.001 0.000 0.227 16 L C 0.203 177.019 176.870 -0.090 0.000 1.127 16 L CA 0.075 55.003 54.840 0.147 0.000 0.884 16 L CB -0.321 41.875 42.059 0.228 0.000 1.065 16 L HN 0.322 nan 8.230 nan 0.000 0.457 17 D N -0.295 120.046 120.400 -0.099 0.000 2.340 17 D HA 0.380 5.020 4.640 -0.001 0.000 0.243 17 D C -2.456 173.744 176.300 -0.168 0.000 0.988 17 D CA -1.736 52.166 54.000 -0.164 0.000 0.959 17 D CB 1.220 41.965 40.800 -0.092 0.000 1.226 17 D HN -0.253 nan 8.370 nan 0.000 0.509 18 P HA 0.161 nan 4.420 nan 0.000 0.271 18 P C -0.632 176.606 177.300 -0.104 0.000 1.218 18 P CA -0.187 62.835 63.100 -0.130 0.000 0.780 18 P CB 0.424 32.072 31.700 -0.086 0.000 0.901 19 A N 2.379 125.136 122.820 -0.105 0.000 2.507 19 A HA -0.007 4.312 4.320 -0.001 0.000 0.235 19 A C 1.305 178.859 177.584 -0.050 0.000 1.070 19 A CA 0.204 52.193 52.037 -0.081 0.000 0.768 19 A CB -0.277 18.672 19.000 -0.085 0.000 1.011 19 A HN 0.546 nan 8.150 nan 0.000 0.502 20 D N 0.608 120.987 120.400 -0.036 0.000 2.149 20 D HA -0.173 4.467 4.640 -0.001 0.000 0.198 20 D C 1.891 178.181 176.300 -0.017 0.000 0.990 20 D CA 1.767 55.755 54.000 -0.021 0.000 0.839 20 D CB -0.047 40.746 40.800 -0.012 0.000 0.948 20 D HN 0.826 nan 8.370 nan 0.000 0.460 21 E N 0.695 120.882 120.200 -0.021 0.000 2.268 21 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 21 E C 2.213 178.806 176.600 -0.012 0.000 0.995 21 E CA 0.404 56.794 56.400 -0.015 0.000 0.836 21 E CB -0.466 29.222 29.700 -0.019 0.000 0.763 21 E HN 0.262 nan 8.360 nan 0.000 0.491 22 L N 0.876 122.087 121.223 -0.019 0.000 2.131 22 L HA 0.056 4.395 4.340 -0.001 0.000 0.206 22 L C 2.279 179.147 176.870 -0.003 0.000 1.087 22 L CA 1.139 55.974 54.840 -0.008 0.000 0.767 22 L CB -0.394 41.656 42.059 -0.016 0.000 0.917 22 L HN 0.041 nan 8.230 nan 0.000 0.441 23 L N -0.248 120.969 121.223 -0.010 0.000 2.275 23 L HA -0.071 4.269 4.340 -0.001 0.000 0.215 23 L C 2.267 179.138 176.870 0.002 0.000 1.119 23 L CA 0.913 55.750 54.840 -0.005 0.000 0.790 23 L CB -0.696 41.357 42.059 -0.010 0.000 0.919 23 L HN 0.393 nan 8.230 nan 0.000 0.443 24 A N -0.192 122.630 122.820 0.002 0.000 2.275 24 A HA 0.412 4.732 4.320 -0.001 0.000 0.212 24 A C 1.213 178.804 177.584 0.011 0.000 1.201 24 A CA 0.247 52.288 52.037 0.006 0.000 0.843 24 A CB -0.258 18.744 19.000 0.004 0.000 0.873 24 A HN 0.235 nan 8.150 nan 0.000 0.492 25 A N 0.225 123.053 122.820 0.014 0.000 2.445 25 A HA 0.515 4.835 4.320 -0.001 0.000 0.242 25 A C 1.025 178.625 177.584 0.027 0.000 1.075 25 A CA 0.218 52.268 52.037 0.022 0.000 0.777 25 A CB -0.259 18.756 19.000 0.025 0.000 1.013 25 A HN 0.775 nan 8.150 nan 0.000 0.493 26 G N -0.438 108.383 108.800 0.036 0.000 2.684 26 G HA2 0.448 4.408 3.960 -0.001 0.000 0.255 26 G HA3 0.448 4.408 3.960 -0.001 0.000 0.255 26 G C 1.219 176.143 174.900 0.041 0.000 1.219 26 G CA 0.197 45.320 45.100 0.038 0.000 0.901 26 G HN 1.461 nan 8.290 nan 0.000 0.548 27 A N -0.523 122.317 122.820 0.033 0.000 1.892 27 A HA 0.049 4.369 4.320 -0.001 0.000 0.218 27 A C 0.988 178.590 177.584 0.030 0.000 1.188 27 A CA 1.714 53.765 52.037 0.024 0.000 0.631 27 A CB -0.342 18.665 19.000 0.012 0.000 0.822 27 A HN 1.120 nan 8.150 nan 0.000 0.447 28 L N -0.295 120.964 121.223 0.059 0.000 2.596 28 L HA 0.536 4.875 4.340 -0.001 0.000 0.265 28 L C -0.388 176.626 176.870 0.240 0.000 0.962 28 L CA 0.618 55.522 54.840 0.107 0.000 0.891 28 L CB 1.766 43.826 42.059 0.003 0.000 1.248 28 L HN 0.390 nan 8.230 nan 0.000 0.410 29 T N 1.226 115.959 114.554 0.298 0.000 2.865 29 T HA 0.682 5.031 4.350 -0.001 0.000 0.294 29 T C -0.320 174.487 174.700 0.177 0.000 1.119 29 T CA -1.042 61.225 62.100 0.278 0.000 1.007 29 T CB 1.609 70.550 68.868 0.122 0.000 1.225 29 T HN 0.591 nan 8.240 nan 0.000 0.515 30 R N 0.475 120.927 120.500 -0.080 0.000 2.357 30 R HA 0.683 5.023 4.340 -0.001 0.000 0.296 30 R C -0.335 175.880 176.300 -0.141 0.000 1.052 30 R CA -0.731 55.175 56.100 -0.323 0.000 0.988 30 R CB 1.444 31.452 30.300 -0.487 0.000 1.025 30 R HN 0.696 nan 8.270 nan 0.000 0.469 31 V N -1.223 118.622 119.914 -0.116 0.000 3.007 31 V HA 0.683 4.803 4.120 -0.001 0.000 0.311 31 V C -0.331 175.755 176.094 -0.013 0.000 1.120 31 V CA -0.725 61.554 62.300 -0.036 0.000 0.980 31 V CB 2.229 34.061 31.823 0.014 0.000 1.033 31 V HN 0.709 nan 8.190 nan 0.000 0.429 40 E N 0.921 121.133 120.200 0.019 0.000 2.212 40 E HA 0.601 4.951 4.350 -0.001 0.000 0.268 40 E C -0.362 176.171 176.600 -0.111 0.000 0.902 40 E CA -0.674 55.685 56.400 -0.069 0.000 0.779 40 E CB 2.464 32.135 29.700 -0.048 0.000 1.172 40 E HN 0.576 nan 8.360 nan 0.000 0.409 41 T N 1.960 116.353 114.554 -0.268 0.000 2.824 41 T HA 0.370 4.720 4.350 -0.001 0.000 0.280 41 T C -0.678 173.764 174.700 -0.430 0.000 0.995 41 T CA -0.398 61.564 62.100 -0.230 0.000 1.009 41 T CB 0.611 69.354 68.868 -0.209 0.000 0.955 41 T HN 0.447 nan 8.240 nan 0.000 0.452 42 H N 1.672 120.638 119.070 -0.175 0.000 2.977 42 H HA 0.319 4.875 4.556 -0.001 0.000 0.350 42 H C -1.151 174.034 175.328 -0.238 0.000 1.238 42 H CA -0.974 54.980 56.048 -0.157 0.000 1.124 42 H CB 1.088 30.809 29.762 -0.069 0.000 1.866 42 H HN 0.589 nan 8.280 nan 0.000 0.550 43 W N 1.593 122.954 121.300 0.101 0.000 2.376 43 W HA 0.427 5.086 4.660 -0.000 0.000 0.322 43 W C 0.192 176.701 176.519 -0.018 0.000 1.160 43 W CA -0.596 56.767 57.345 0.030 0.000 1.218 43 W CB 1.061 30.531 29.460 0.016 0.000 1.205 43 W HN 0.215 nan 8.180 nan 0.000 0.559 44 M N 3.439 123.165 119.600 0.209 0.000 2.190 44 M HA 0.662 5.142 4.480 -0.001 0.000 0.312 44 M C -0.872 175.471 176.300 0.071 0.000 0.990 44 M CA -0.449 54.887 55.300 0.061 0.000 0.927 44 M CB 1.063 33.674 32.600 0.018 0.000 1.571 44 M HN 0.478 nan 8.290 nan 0.000 0.427 45 A N 3.039 125.859 122.820 0.001 0.000 2.274 45 A HA 0.591 4.910 4.320 -0.001 0.000 0.309 45 A C 0.576 178.147 177.584 -0.022 0.000 1.226 45 A CA -0.254 51.768 52.037 -0.024 0.000 0.853 45 A CB 0.293 19.237 19.000 -0.093 0.000 1.146 45 A HN 0.951 nan 8.150 nan 0.000 0.518 46 T N -0.845 113.708 114.554 -0.002 0.000 2.958 46 T HA 0.484 4.833 4.350 -0.001 0.000 0.256 46 T C 0.737 175.447 174.700 0.016 0.000 0.983 46 T CA 0.704 62.809 62.100 0.009 0.000 0.924 46 T CB -0.101 68.779 68.868 0.020 0.000 1.136 46 T HN 1.176 nan 8.240 nan 0.000 0.506 47 A N 1.663 124.489 122.820 0.009 0.000 2.363 47 A HA 0.422 4.742 4.320 -0.001 0.000 0.270 47 A C 1.206 178.813 177.584 0.038 0.000 1.121 47 A CA -0.390 51.664 52.037 0.029 0.000 0.800 47 A CB -0.022 18.988 19.000 0.016 0.000 1.052 47 A HN 0.507 nan 8.150 nan 0.000 0.493 48 H N 2.426 121.477 119.070 -0.031 0.000 2.319 48 H HA -0.227 4.329 4.556 -0.001 0.000 0.297 48 H C 2.002 177.290 175.328 -0.066 0.000 1.097 48 H CA 2.395 58.418 56.048 -0.042 0.000 1.285 48 H CB 0.150 29.894 29.762 -0.030 0.000 1.368 48 H HN 0.733 nan 8.280 nan 0.000 0.495 49 A N 0.271 123.108 122.820 0.028 0.000 1.969 49 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 49 A C 2.817 180.344 177.584 -0.094 0.000 1.169 49 A CA 1.259 53.268 52.037 -0.047 0.000 0.635 49 A CB -0.602 18.404 19.000 0.011 0.000 0.810 49 A HN 0.302 nan 8.150 nan 0.000 0.445 50 V N -0.604 119.263 119.914 -0.078 0.000 2.379 50 V HA -0.180 3.940 4.120 -0.001 0.000 0.245 50 V C 2.540 178.546 176.094 -0.147 0.000 1.044 50 V CA 1.775 64.016 62.300 -0.099 0.000 1.036 50 V CB -0.614 31.159 31.823 -0.083 0.000 0.664 50 V HN 0.350 nan 8.190 nan 0.000 0.453 51 V N -0.042 119.782 119.914 -0.151 0.000 2.343 51 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 51 V C 2.600 178.586 176.094 -0.180 0.000 1.051 51 V CA 2.069 64.267 62.300 -0.170 0.000 1.036 51 V CB -0.753 30.983 31.823 -0.143 0.000 0.654 51 V HN 0.467 nan 8.190 nan 0.000 0.451 52 R N -0.533 119.809 120.500 -0.263 0.000 2.096 52 R HA -0.202 4.138 4.340 -0.001 0.000 0.235 52 R C 2.422 178.691 176.300 -0.052 0.000 1.127 52 R CA 1.670 57.590 56.100 -0.300 0.000 0.968 52 R CB -0.285 29.693 30.300 -0.537 0.000 0.861 52 R HN 0.602 nan 8.270 nan 0.000 0.440 53 Q N 0.500 120.253 119.800 -0.079 0.000 2.079 53 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 53 Q C 1.989 177.979 176.000 -0.017 0.000 0.974 53 Q CA 1.428 57.223 55.803 -0.014 0.000 0.840 53 Q CB 0.202 28.928 28.738 -0.021 0.000 0.898 53 Q HN 0.169 nan 8.270 nan 0.000 0.430 54 V N 0.856 120.656 119.914 -0.190 0.000 2.295 54 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 54 V C 2.299 178.270 176.094 -0.205 0.000 1.049 54 V CA 1.970 63.975 62.300 -0.493 0.000 1.024 54 V CB -0.434 30.963 31.823 -0.709 0.000 0.648 54 V HN 0.460 nan 8.190 nan 0.000 0.447 55 M N 0.038 119.595 119.600 -0.071 0.000 2.419 55 M HA 0.047 4.527 4.480 -0.001 0.000 0.264 55 M C 2.104 178.477 176.300 0.123 0.000 1.082 55 M CA 1.517 56.840 55.300 0.038 0.000 1.119 55 M CB -0.530 32.116 32.600 0.077 0.000 1.398 55 M HN 0.457 nan 8.290 nan 0.000 0.453 56 G N -0.443 108.466 108.800 0.182 0.000 2.551 56 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.216 56 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.216 56 G C 0.165 175.123 174.900 0.096 0.000 1.137 56 G CA 0.168 45.337 45.100 0.115 0.000 0.798 56 G HN 0.312 nan 8.290 nan 0.000 0.536 57 D N 0.321 120.788 120.400 0.112 0.000 2.524 57 D HA 0.084 4.723 4.640 -0.001 0.000 0.222 57 D C 1.695 178.029 176.300 0.056 0.000 1.142 57 D CA -0.680 53.343 54.000 0.037 0.000 0.973 57 D CB -0.317 40.555 40.800 0.120 0.000 1.025 57 D HN 0.521 nan 8.370 nan 0.000 0.519 58 H N 1.262 120.389 119.070 0.095 0.000 2.524 58 H HA -0.024 4.531 4.556 -0.001 0.000 0.282 58 H C 0.899 176.263 175.328 0.059 0.000 1.016 58 H CA 0.471 56.574 56.048 0.091 0.000 1.270 58 H CB 0.186 29.982 29.762 0.056 0.000 1.394 58 H HN 0.432 nan 8.280 nan 0.000 0.568 59 Q N 0.554 120.184 119.800 -0.284 0.000 2.167 59 Q HA -0.070 4.270 4.340 -0.001 0.000 0.202 59 Q C 1.890 177.822 176.000 -0.113 0.000 0.970 59 Q CA 1.178 56.899 55.803 -0.137 0.000 0.855 59 Q CB 0.210 28.831 28.738 -0.195 0.000 0.911 59 Q HN 0.646 nan 8.270 nan 0.000 0.438 60 Q N -1.245 118.459 119.800 -0.159 0.000 2.378 60 Q HA 0.111 4.451 4.340 -0.001 0.000 0.216 60 Q C -0.502 175.179 176.000 -0.531 0.000 0.892 60 Q CA 0.173 55.763 55.803 -0.355 0.000 0.931 60 Q CB 0.807 29.257 28.738 -0.481 0.000 1.086 60 Q HN 0.167 nan 8.270 nan 0.000 0.528 61 F N 1.157 121.095 119.950 -0.020 0.000 2.610 61 F HA 0.226 4.752 4.527 -0.001 0.000 0.355 61 F C 0.084 175.894 175.800 0.015 0.000 1.140 61 F CA -0.985 57.009 58.000 -0.010 0.000 1.037 61 F CB 1.467 40.454 39.000 -0.023 0.000 1.287 61 F HN -0.159 nan 8.300 nan 0.000 0.457 62 S N 0.637 116.433 115.700 0.159 0.000 2.652 62 S HA 0.579 5.049 4.470 -0.001 0.000 0.270 62 S C 0.091 174.728 174.600 0.061 0.000 1.243 62 S CA -0.701 57.566 58.200 0.112 0.000 0.999 62 S CB 1.293 64.537 63.200 0.073 0.000 0.973 62 S HN 0.557 nan 8.310 nan 0.000 0.544 63 T N -0.495 114.060 114.554 0.002 0.000 2.856 63 T HA 0.346 4.695 4.350 -0.001 0.000 0.292 63 T C 0.128 174.791 174.700 -0.061 0.000 0.980 63 T CA -0.896 61.148 62.100 -0.094 0.000 1.091 63 T CB 0.459 69.193 68.868 -0.223 0.000 0.936 63 T HN 0.827 nan 8.240 nan 0.000 0.503 64 R N 2.641 123.091 120.500 -0.083 0.000 2.522 64 R HA 0.106 4.446 4.340 -0.001 0.000 0.284 64 R C 0.186 176.492 176.300 0.010 0.000 1.032 64 R CA -0.329 55.753 56.100 -0.031 0.000 1.049 64 R CB 0.413 30.681 30.300 -0.053 0.000 0.956 64 R HN 0.643 nan 8.270 nan 0.000 0.422 65 R N 3.410 123.920 120.500 0.017 0.000 2.560 65 R HA 0.129 4.468 4.340 -0.001 0.000 0.270 65 R C 0.199 176.543 176.300 0.073 0.000 1.074 65 R CA -0.463 55.644 56.100 0.011 0.000 1.140 65 R CB 0.545 30.818 30.300 -0.045 0.000 1.073 65 R HN 0.756 nan 8.270 nan 0.000 0.527 66 R N -0.049 120.493 120.500 0.069 0.000 3.416 66 R HA -0.219 4.120 4.340 -0.001 0.000 0.263 66 R C -0.802 175.588 176.300 0.150 0.000 1.053 66 R CA 0.613 56.763 56.100 0.083 0.000 0.705 66 R CB -1.324 29.004 30.300 0.047 0.000 1.124 66 R HN 0.538 nan 8.270 nan 0.000 0.444 67 W N 1.567 122.864 121.300 -0.005 0.000 2.261 67 W HA 0.267 4.926 4.660 -0.001 0.000 0.323 67 W C -0.418 176.106 176.519 0.009 0.000 1.243 67 W CA -0.350 56.997 57.345 0.003 0.000 1.210 67 W CB 0.783 30.243 29.460 -0.001 0.000 1.149 67 W HN 0.039 nan 8.180 nan 0.000 0.562 68 D N 6.901 126.847 120.400 -0.756 0.000 2.505 68 D HA 0.225 4.864 4.640 -0.001 0.000 0.250 68 D C -1.997 173.549 176.300 -1.256 0.000 1.164 68 D CA -0.989 52.538 54.000 -0.790 0.000 0.870 68 D CB 1.402 41.981 40.800 -0.369 0.000 1.160 68 D HN 0.102 nan 8.370 nan 0.000 0.549 84 L N 3.193 124.471 121.223 0.091 0.000 2.418 84 L HA 0.572 4.912 4.340 -0.001 0.000 0.265 84 L C 0.087 177.035 176.870 0.130 0.000 1.143 84 L CA -1.303 53.607 54.840 0.117 0.000 0.809 84 L CB 1.194 43.340 42.059 0.146 0.000 1.124 84 L HN 0.398 nan 8.230 nan 0.000 0.456 85 V N 1.446 121.420 119.914 0.100 0.000 2.583 85 V HA 0.325 4.445 4.120 -0.001 0.000 0.287 85 V C 1.035 177.161 176.094 0.054 0.000 1.051 85 V CA 0.493 62.842 62.300 0.082 0.000 1.010 85 V CB 0.817 32.643 31.823 0.005 0.000 0.988 85 V HN 1.066 nan 8.190 nan 0.000 0.478 86 G N 4.062 112.932 108.800 0.116 0.000 2.179 86 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.257 86 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.257 86 G C 0.211 175.291 174.900 0.300 0.000 1.010 86 G CA 0.377 45.510 45.100 0.055 0.000 0.736 86 G HN 0.871 nan 8.290 nan 0.000 0.513 87 N N 0.552 119.494 118.700 0.404 0.000 2.406 87 N HA 0.345 5.084 4.740 -0.001 0.000 0.265 87 N C 1.894 177.696 175.510 0.487 0.000 1.203 87 N CA -0.134 53.143 53.050 0.377 0.000 0.945 87 N CB 0.136 38.788 38.487 0.275 0.000 1.165 87 N HN 0.260 nan 8.380 nan 0.000 0.485 88 L N 2.294 123.770 121.223 0.420 0.000 2.081 88 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 88 L C 1.901 179.129 176.870 0.598 0.000 1.080 88 L CA 0.935 56.069 54.840 0.490 0.000 0.754 88 L CB -0.376 41.887 42.059 0.340 0.000 0.893 88 L HN 0.638 nan 8.230 nan 0.000 0.433 89 M N -0.760 119.064 119.600 0.373 0.000 2.358 89 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 89 M C 1.418 177.782 176.300 0.107 0.000 1.064 89 M CA 1.322 56.730 55.300 0.180 0.000 1.093 89 M CB -0.980 31.701 32.600 0.135 0.000 1.401 89 M HN 0.198 nan 8.290 nan 0.000 0.440 90 D N -0.642 119.845 120.400 0.146 0.000 2.317 90 D HA -0.001 4.638 4.640 -0.001 0.000 0.211 90 D C 0.022 176.181 176.300 -0.234 0.000 0.966 90 D CA 0.725 54.651 54.000 -0.122 0.000 0.876 90 D CB 0.097 40.691 40.800 -0.344 0.000 0.927 90 D HN 0.258 nan 8.370 nan 0.000 0.519 91 Y N 0.233 120.669 120.300 0.226 0.000 2.602 91 Y HA 0.459 5.009 4.550 -0.001 0.000 0.330 91 Y C 0.499 176.556 175.900 0.262 0.000 1.114 91 Y CA -1.026 57.208 58.100 0.224 0.000 1.182 91 Y CB 1.312 39.904 38.460 0.220 0.000 1.305 91 Y HN -0.336 nan 8.280 nan 0.000 0.502 92 D N 0.213 120.826 120.400 0.355 0.000 2.477 92 D HA 0.361 5.001 4.640 -0.001 0.000 0.234 92 D C -2.836 173.552 176.300 0.146 0.000 1.048 92 D CA -1.817 52.301 54.000 0.196 0.000 0.959 92 D CB 2.081 42.987 40.800 0.177 0.000 1.408 92 D HN 0.117 nan 8.370 nan 0.000 0.496 93 P HA 0.066 nan 4.420 nan 0.000 0.267 93 P C -1.690 175.652 177.300 0.070 0.000 1.200 93 P CA -0.614 62.483 63.100 -0.005 0.000 0.772 93 P CB 0.314 31.904 31.700 -0.184 0.000 0.855 94 P HA -0.008 nan 4.420 nan 0.000 0.235 94 P C 0.704 178.017 177.300 0.021 0.000 1.177 94 P CA 0.924 64.041 63.100 0.029 0.000 0.785 94 P CB 0.379 32.093 31.700 0.023 0.000 0.885 95 E N -0.405 119.831 120.200 0.060 0.000 2.110 95 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 95 E C 2.210 178.784 176.600 -0.042 0.000 0.988 95 E CA 1.047 57.458 56.400 0.017 0.000 0.804 95 E CB -1.161 28.617 29.700 0.130 0.000 0.745 95 E HN 0.468 nan 8.360 nan 0.000 0.458 96 H N 0.193 119.255 119.070 -0.013 0.000 2.389 96 H HA -0.029 4.526 4.556 -0.001 0.000 0.299 96 H C 1.388 176.649 175.328 -0.112 0.000 1.081 96 H CA 1.827 57.855 56.048 -0.033 0.000 1.345 96 H CB 0.143 29.902 29.762 -0.005 0.000 1.393 96 H HN 0.135 nan 8.280 nan 0.000 0.520 97 T N 0.971 115.453 114.554 -0.121 0.000 2.788 97 T HA -0.105 4.244 4.350 -0.001 0.000 0.268 97 T C 2.213 176.792 174.700 -0.202 0.000 1.044 97 T CA 1.439 63.437 62.100 -0.170 0.000 1.139 97 T CB -0.075 68.751 68.868 -0.070 0.000 0.867 97 T HN 0.398 nan 8.240 nan 0.000 0.454 98 R N 0.490 120.889 120.500 -0.167 0.000 2.066 98 R HA 0.138 4.478 4.340 -0.001 0.000 0.232 98 R C 2.515 178.693 176.300 -0.203 0.000 1.131 98 R CA 0.919 56.919 56.100 -0.167 0.000 0.955 98 R CB -0.566 29.651 30.300 -0.139 0.000 0.851 98 R HN 0.296 nan 8.270 nan 0.000 0.432 99 L N 0.235 121.326 121.223 -0.221 0.000 2.017 99 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 99 L C 2.780 179.537 176.870 -0.189 0.000 1.073 99 L CA 1.412 56.165 54.840 -0.144 0.000 0.745 99 L CB -0.292 41.664 42.059 -0.171 0.000 0.894 99 L HN 0.169 nan 8.230 nan 0.000 0.432 100 R N 0.113 120.397 120.500 -0.360 0.000 2.092 100 R HA -0.196 4.144 4.340 -0.001 0.000 0.231 100 R C 2.465 178.614 176.300 -0.251 0.000 1.119 100 R CA 1.307 57.185 56.100 -0.369 0.000 0.970 100 R CB -0.133 29.863 30.300 -0.507 0.000 0.864 100 R HN 0.215 nan 8.270 nan 0.000 0.440 101 R N 0.805 121.180 120.500 -0.208 0.000 2.091 101 R HA -0.185 4.154 4.340 -0.001 0.000 0.238 101 R C 2.093 178.336 176.300 -0.094 0.000 1.136 101 R CA 2.041 58.070 56.100 -0.118 0.000 0.959 101 R CB -0.167 30.065 30.300 -0.114 0.000 0.856 101 R HN 0.100 nan 8.270 nan 0.000 0.437 102 K N 0.029 120.301 120.400 -0.213 0.000 2.148 102 K HA -0.132 4.187 4.320 -0.001 0.000 0.204 102 K C 1.862 178.423 176.600 -0.066 0.000 1.050 102 K CA 1.097 57.243 56.287 -0.235 0.000 0.942 102 K CB -0.022 32.379 32.500 -0.165 0.000 0.724 102 K HN 0.213 nan 8.250 nan 0.000 0.446 103 L N 0.748 121.783 121.223 -0.312 0.000 2.375 103 L HA 0.034 4.374 4.340 -0.001 0.000 0.215 103 L C 1.731 178.568 176.870 -0.055 0.000 1.108 103 L CA 1.490 56.066 54.840 -0.440 0.000 0.830 103 L CB -0.406 41.108 42.059 -0.909 0.000 0.959 103 L HN 0.076 nan 8.230 nan 0.000 0.457 104 T N 1.081 115.617 114.554 -0.029 0.000 2.721 104 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 104 T C -0.571 174.211 174.700 0.137 0.000 1.038 104 T CA 1.986 64.127 62.100 0.068 0.000 1.145 104 T CB -0.877 68.001 68.868 0.017 0.000 0.858 104 T HN 0.298 nan 8.240 nan 0.000 0.459 105 P HA -0.037 nan 4.420 nan 0.000 0.218 105 P C 1.405 178.716 177.300 0.019 0.000 1.146 105 P CA 0.976 64.111 63.100 0.057 0.000 0.813 105 P CB -0.345 31.381 31.700 0.044 0.000 0.778 106 G N -2.821 105.995 108.800 0.027 0.000 2.920 106 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.208 106 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.208 106 G C 0.413 175.040 174.900 -0.455 0.000 1.159 106 G CA 0.110 45.089 45.100 -0.201 0.000 0.784 106 G HN 0.223 nan 8.290 nan 0.000 0.535 107 F N 0.993 120.918 119.950 -0.042 0.000 2.775 107 F HA 0.221 4.747 4.527 -0.001 0.000 0.313 107 F C 1.351 177.135 175.800 -0.026 0.000 1.121 107 F CA -0.835 57.144 58.000 -0.034 0.000 1.206 107 F CB 0.030 39.006 39.000 -0.041 0.000 1.052 107 F HN -0.034 nan 8.300 nan 0.000 0.524 108 T N -1.502 113.103 114.554 0.085 0.000 2.903 108 T HA 0.095 4.444 4.350 -0.001 0.000 0.314 108 T C 1.499 176.224 174.700 0.041 0.000 1.078 108 T CA -0.359 61.774 62.100 0.056 0.000 1.114 108 T CB 0.914 69.796 68.868 0.023 0.000 0.987 108 T HN 0.262 nan 8.240 nan 0.000 0.548 109 L N 0.962 122.208 121.223 0.038 0.000 2.131 109 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 109 L C 3.204 180.087 176.870 0.022 0.000 1.092 109 L CA 1.358 56.218 54.840 0.033 0.000 0.759 109 L CB -0.491 41.586 42.059 0.029 0.000 0.903 109 L HN 0.733 nan 8.230 nan 0.000 0.435 110 R N 0.047 120.555 120.500 0.013 0.000 2.092 110 R HA -0.116 4.223 4.340 -0.001 0.000 0.231 110 R C 2.275 178.575 176.300 0.001 0.000 1.119 110 R CA 1.000 57.104 56.100 0.007 0.000 0.970 110 R CB -0.088 30.213 30.300 0.002 0.000 0.864 110 R HN 0.305 nan 8.270 nan 0.000 0.440 111 K N -0.207 120.187 120.400 -0.011 0.000 2.103 111 K HA -0.016 4.304 4.320 -0.001 0.000 0.204 111 K C 2.000 178.584 176.600 -0.026 0.000 1.052 111 K CA 0.943 57.209 56.287 -0.034 0.000 0.945 111 K CB 0.082 32.541 32.500 -0.069 0.000 0.722 111 K HN 0.069 nan 8.250 nan 0.000 0.443 112 M N 0.982 120.578 119.600 -0.007 0.000 2.175 112 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 112 M C 1.964 178.281 176.300 0.027 0.000 1.063 112 M CA 1.621 56.927 55.300 0.011 0.000 1.119 112 M CB -0.924 31.697 32.600 0.035 0.000 1.377 112 M HN 0.166 nan 8.290 nan 0.000 0.415 113 Q N -0.301 119.516 119.800 0.028 0.000 2.096 113 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 113 Q C 2.151 178.178 176.000 0.045 0.000 0.982 113 Q CA 1.096 56.920 55.803 0.035 0.000 0.850 113 Q CB -0.182 28.574 28.738 0.029 0.000 0.901 113 Q HN 0.391 nan 8.270 nan 0.000 0.422 114 R N -0.022 120.503 120.500 0.042 0.000 2.189 114 R HA -0.001 4.339 4.340 -0.001 0.000 0.223 114 R C 1.922 178.303 176.300 0.135 0.000 1.092 114 R CA 0.795 56.938 56.100 0.071 0.000 0.989 114 R CB -0.189 30.138 30.300 0.045 0.000 0.876 114 R HN 0.387 nan 8.270 nan 0.000 0.457 115 M N -0.324 119.331 119.600 0.091 0.000 2.319 115 M HA 0.022 4.502 4.480 -0.001 0.000 0.265 115 M C 2.237 178.638 176.300 0.168 0.000 1.068 115 M CA 0.879 56.258 55.300 0.133 0.000 1.118 115 M CB -0.674 31.949 32.600 0.038 0.000 1.395 115 M HN 0.045 nan 8.290 nan 0.000 0.435 116 A N 1.681 124.561 122.820 0.100 0.000 1.903 116 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 116 A C -0.381 177.229 177.584 0.042 0.000 1.191 116 A CA 1.925 54.002 52.037 0.066 0.000 0.638 116 A CB -2.181 16.847 19.000 0.047 0.000 0.823 116 A HN 0.321 nan 8.150 nan 0.000 0.451 117 P HA -0.132 nan 4.420 nan 0.000 0.218 117 P C 0.933 178.126 177.300 -0.178 0.000 1.149 117 P CA 1.197 64.231 63.100 -0.111 0.000 0.817 117 P CB -0.245 31.336 31.700 -0.199 0.000 0.785 118 Y N -0.623 119.668 120.300 -0.016 0.000 2.242 118 Y HA -0.080 4.470 4.550 -0.001 0.000 0.291 118 Y C 2.453 178.342 175.900 -0.018 0.000 1.137 118 Y CA 0.941 59.029 58.100 -0.019 0.000 1.181 118 Y CB -1.029 37.417 38.460 -0.023 0.000 0.989 118 Y HN -0.152 nan 8.280 nan 0.000 0.527 119 I N -0.146 120.504 120.570 0.133 0.000 2.252 119 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 119 I C 2.006 178.134 176.117 0.018 0.000 1.102 119 I CA 1.396 62.736 61.300 0.066 0.000 1.385 119 I CB -0.362 37.668 38.000 0.050 0.000 1.064 119 I HN 0.261 nan 8.210 nan 0.000 0.414 120 E N 0.299 120.498 120.200 -0.003 0.000 2.085 120 E HA -0.305 4.044 4.350 -0.001 0.000 0.194 120 E C 2.121 178.699 176.600 -0.038 0.000 0.994 120 E CA 1.182 57.565 56.400 -0.027 0.000 0.801 120 E CB -0.089 29.589 29.700 -0.037 0.000 0.743 120 E HN 0.299 nan 8.360 nan 0.000 0.453 121 Q N 0.819 120.591 119.800 -0.046 0.000 2.079 121 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 121 Q C 1.909 177.900 176.000 -0.014 0.000 0.974 121 Q CA 1.281 57.057 55.803 -0.045 0.000 0.840 121 Q CB -0.159 28.536 28.738 -0.072 0.000 0.898 121 Q HN 0.333 nan 8.270 nan 0.000 0.430 122 I N -0.858 119.718 120.570 0.011 0.000 2.163 122 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 122 I C 2.054 178.172 176.117 0.001 0.000 1.085 122 I CA 1.032 62.343 61.300 0.019 0.000 1.347 122 I CB -0.369 37.652 38.000 0.034 0.000 1.044 122 I HN 0.029 nan 8.210 nan 0.000 0.408 123 V N 1.045 120.950 119.914 -0.014 0.000 2.295 123 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 123 V C 2.134 178.203 176.094 -0.040 0.000 1.049 123 V CA 1.930 64.210 62.300 -0.032 0.000 1.024 123 V CB -0.821 30.971 31.823 -0.053 0.000 0.648 123 V HN 0.462 nan 8.190 nan 0.000 0.447 124 N N 0.099 118.770 118.700 -0.050 0.000 2.309 124 N HA -0.146 4.594 4.740 -0.001 0.000 0.182 124 N C 1.486 176.969 175.510 -0.045 0.000 1.018 124 N CA 1.353 54.363 53.050 -0.067 0.000 0.876 124 N CB -0.269 38.172 38.487 -0.076 0.000 0.972 124 N HN 0.507 nan 8.380 nan 0.000 0.434 125 D N 0.721 121.108 120.400 -0.020 0.000 2.144 125 D HA -0.069 4.570 4.640 -0.001 0.000 0.200 125 D C 1.976 178.289 176.300 0.021 0.000 0.978 125 D CA 0.731 54.731 54.000 0.001 0.000 0.833 125 D CB 0.073 40.880 40.800 0.012 0.000 0.961 125 D HN 0.164 nan 8.370 nan 0.000 0.470 126 R N 0.347 120.863 120.500 0.026 0.000 2.090 126 R HA 0.060 4.400 4.340 -0.001 0.000 0.228 126 R C 2.562 178.892 176.300 0.050 0.000 1.110 126 R CA 0.198 56.337 56.100 0.064 0.000 0.973 126 R CB -0.857 29.480 30.300 0.061 0.000 0.869 126 R HN 0.297 nan 8.270 nan 0.000 0.440 127 L N 0.945 122.168 121.223 -0.000 0.000 2.131 127 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 127 L C 1.689 178.544 176.870 -0.024 0.000 1.092 127 L CA 1.095 55.929 54.840 -0.010 0.000 0.759 127 L CB -0.431 41.576 42.059 -0.087 0.000 0.903 127 L HN 0.046 nan 8.230 nan 0.000 0.435 128 D N 0.161 120.543 120.400 -0.030 0.000 2.144 128 D HA -0.167 4.473 4.640 -0.001 0.000 0.200 128 D C 2.119 178.422 176.300 0.005 0.000 0.978 128 D CA 1.105 55.093 54.000 -0.020 0.000 0.833 128 D CB 0.031 40.825 40.800 -0.011 0.000 0.961 128 D HN 0.375 nan 8.370 nan 0.000 0.470 129 E N -0.134 120.090 120.200 0.040 0.000 2.106 129 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 129 E C 2.032 178.562 176.600 -0.118 0.000 0.984 129 E CA 0.454 56.913 56.400 0.100 0.000 0.806 129 E CB -0.044 29.816 29.700 0.266 0.000 0.750 129 E HN 0.222 nan 8.360 nan 0.000 0.458 130 M N 0.737 120.146 119.600 -0.318 0.000 2.132 130 M HA -0.194 4.286 4.480 -0.001 0.000 0.263 130 M C 2.280 178.353 176.300 -0.378 0.000 1.065 130 M CA 1.507 56.300 55.300 -0.845 0.000 1.122 130 M CB 0.119 32.322 32.600 -0.661 0.000 1.365 130 M HN 0.009 nan 8.290 nan 0.000 0.411 131 E N 0.070 120.206 120.200 -0.106 0.000 2.077 131 E HA -0.244 4.106 4.350 -0.001 0.000 0.193 131 E C 1.984 178.675 176.600 0.153 0.000 0.989 131 E CA 1.385 57.865 56.400 0.134 0.000 0.800 131 E CB 0.017 29.796 29.700 0.132 0.000 0.746 131 E HN 0.502 nan 8.360 nan 0.000 0.452 132 R N -0.232 120.300 120.500 0.053 0.000 2.120 132 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 132 R C 2.306 178.641 176.300 0.057 0.000 1.123 132 R CA 0.958 57.096 56.100 0.062 0.000 0.975 132 R CB -0.195 30.137 30.300 0.054 0.000 0.866 132 R HN 0.157 nan 8.270 nan 0.000 0.446 133 A N 0.747 123.569 122.820 0.004 0.000 2.015 133 A HA 0.145 4.464 4.320 -0.001 0.000 0.219 133 A C 1.000 178.599 177.584 0.025 0.000 1.163 133 A CA 1.079 53.129 52.037 0.022 0.000 0.646 133 A CB -0.387 18.588 19.000 -0.043 0.000 0.806 133 A HN 0.464 nan 8.150 nan 0.000 0.448 134 G N -1.371 107.478 108.800 0.081 0.000 2.705 134 G HA2 0.079 4.039 3.960 -0.001 0.000 0.686 134 G HA3 0.079 4.039 3.960 -0.001 0.000 0.686 134 G C -0.103 174.601 174.900 -0.327 0.000 1.285 134 G CA -0.037 45.051 45.100 -0.019 0.000 0.800 134 G HN 1.202 nan 8.290 nan 0.000 0.611 135 S N 1.825 116.997 115.700 -0.881 0.000 2.548 135 S HA 0.702 5.171 4.470 -0.001 0.000 0.277 135 S C -0.893 173.371 174.600 -0.562 0.000 1.315 135 S CA -0.193 57.237 58.200 -1.283 0.000 1.050 135 S CB 0.520 62.678 63.200 -1.736 0.000 0.918 135 S HN 0.808 nan 8.310 nan 0.000 0.497 136 P HA 0.667 nan 4.420 nan 0.000 0.284 136 P C -1.439 175.778 177.300 -0.138 0.000 1.258 136 P CA -0.655 62.260 63.100 -0.308 0.000 0.824 136 P CB 1.520 33.119 31.700 -0.169 0.000 1.038 137 A N 0.714 123.539 122.820 0.007 0.000 2.566 137 A HA 0.470 4.790 4.320 -0.001 0.000 0.292 137 A C -1.212 176.465 177.584 0.155 0.000 1.112 137 A CA -0.548 51.561 52.037 0.119 0.000 0.707 137 A CB 1.242 20.285 19.000 0.071 0.000 1.302 137 A HN 0.505 nan 8.150 nan 0.000 0.409 138 D N 1.171 121.725 120.400 0.256 0.000 2.393 138 D HA 0.220 4.860 4.640 -0.001 0.000 0.232 138 D C 0.842 177.288 176.300 0.243 0.000 1.192 138 D CA -0.210 53.905 54.000 0.191 0.000 0.882 138 D CB 0.626 41.510 40.800 0.141 0.000 1.038 138 D HN 0.420 nan 8.370 nan 0.000 0.499 139 L N 4.694 125.984 121.223 0.110 0.000 2.265 139 L HA -0.143 4.197 4.340 -0.001 0.000 0.215 139 L C 1.651 178.569 176.870 0.081 0.000 1.117 139 L CA 0.932 55.815 54.840 0.072 0.000 0.782 139 L CB -0.015 42.032 42.059 -0.020 0.000 0.914 139 L HN 0.516 nan 8.230 nan 0.000 0.441 140 I N -0.215 120.387 120.570 0.054 0.000 2.233 140 I HA -0.167 4.002 4.170 -0.001 0.000 0.243 140 I C 2.729 178.854 176.117 0.013 0.000 1.093 140 I CA 1.386 62.700 61.300 0.024 0.000 1.380 140 I CB -1.809 36.190 38.000 -0.002 0.000 1.067 140 I HN 0.289 nan 8.210 nan 0.000 0.413 141 A N 0.389 123.203 122.820 -0.009 0.000 1.930 141 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 141 A C 2.146 179.629 177.584 -0.169 0.000 1.175 141 A CA 1.344 53.306 52.037 -0.124 0.000 0.627 141 A CB -0.845 18.013 19.000 -0.236 0.000 0.815 141 A HN 0.315 nan 8.150 nan 0.000 0.443 142 F N -1.387 118.554 119.950 -0.015 0.000 2.335 142 F HA 0.029 4.556 4.527 -0.001 0.000 0.296 142 F C 2.018 177.805 175.800 -0.022 0.000 1.091 142 F CA 1.254 59.245 58.000 -0.015 0.000 1.399 142 F CB 0.318 39.305 39.000 -0.022 0.000 1.067 142 F HN 0.048 nan 8.300 nan 0.000 0.520 143 V N -1.705 118.300 119.914 0.152 0.000 3.054 143 V HA 0.213 4.332 4.120 -0.001 0.000 0.227 143 V C 2.150 178.261 176.094 0.029 0.000 1.252 143 V CA 0.804 63.146 62.300 0.070 0.000 1.279 143 V CB -0.785 31.056 31.823 0.030 0.000 1.118 143 V HN 0.096 nan 8.190 nan 0.000 0.504 144 A N 0.292 123.127 122.820 0.025 0.000 1.908 144 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 144 A C 1.713 179.307 177.584 0.016 0.000 1.181 144 A CA 2.411 54.457 52.037 0.015 0.000 0.627 144 A CB -0.589 18.424 19.000 0.021 0.000 0.818 144 A HN 0.546 nan 8.150 nan 0.000 0.445 145 D N -1.168 119.240 120.400 0.012 0.000 2.355 145 D HA 0.052 4.691 4.640 -0.001 0.000 0.218 145 D C 1.700 178.011 176.300 0.019 0.000 1.004 145 D CA 0.770 54.777 54.000 0.011 0.000 0.880 145 D CB 0.143 40.938 40.800 -0.009 0.000 0.911 145 D HN 0.550 nan 8.370 nan 0.000 0.528 146 K N -0.546 119.866 120.400 0.021 0.000 2.306 146 K HA 0.107 4.427 4.320 -0.001 0.000 0.200 146 K C 1.956 178.577 176.600 0.034 0.000 1.083 146 K CA 0.038 56.341 56.287 0.027 0.000 0.959 146 K CB 0.614 33.128 32.500 0.024 0.000 0.994 146 K HN -0.132 nan 8.250 nan 0.000 0.492 147 V N 2.503 122.432 119.914 0.025 0.000 2.287 147 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 147 V C -1.089 175.024 176.094 0.031 0.000 1.053 147 V CA 1.954 64.266 62.300 0.019 0.000 1.027 147 V CB -1.112 30.706 31.823 -0.008 0.000 0.646 147 V HN 0.152 nan 8.190 nan 0.000 0.447 148 P HA -0.137 nan 4.420 nan 0.000 0.215 148 P C 1.697 179.045 177.300 0.081 0.000 1.157 148 P CA 1.961 65.097 63.100 0.060 0.000 0.868 148 P CB -0.340 31.400 31.700 0.067 0.000 0.788 149 G N -0.413 108.441 108.800 0.089 0.000 2.422 149 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 149 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 149 G C 1.615 176.566 174.900 0.085 0.000 1.140 149 G CA 0.806 45.970 45.100 0.106 0.000 0.775 149 G HN 0.322 nan 8.290 nan 0.000 0.545 150 A N 0.187 123.045 122.820 0.063 0.000 1.930 150 A HA 0.139 4.459 4.320 -0.001 0.000 0.217 150 A C 2.551 180.159 177.584 0.039 0.000 1.175 150 A CA 1.579 53.645 52.037 0.048 0.000 0.627 150 A CB -0.481 18.543 19.000 0.041 0.000 0.815 150 A HN 0.220 nan 8.150 nan 0.000 0.443 151 V N 0.170 120.110 119.914 0.044 0.000 2.427 151 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 151 V C 2.526 178.640 176.094 0.032 0.000 1.051 151 V CA 1.804 64.126 62.300 0.037 0.000 1.048 151 V CB -0.694 31.154 31.823 0.042 0.000 0.666 151 V HN 0.564 nan 8.190 nan 0.000 0.456 152 L N -1.060 120.200 121.223 0.062 0.000 2.083 152 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 152 L C 2.607 179.500 176.870 0.040 0.000 1.083 152 L CA 1.377 56.263 54.840 0.077 0.000 0.752 152 L CB -0.707 41.433 42.059 0.136 0.000 0.899 152 L HN 0.379 nan 8.230 nan 0.000 0.433 153 C N -0.276 119.041 119.300 0.028 0.000 2.425 153 C HA -0.151 4.309 4.460 -0.001 0.000 0.277 153 C C 2.777 177.703 174.990 -0.107 0.000 1.280 153 C CA 0.924 59.906 59.018 -0.059 0.000 1.744 153 C CB -0.480 27.231 27.740 -0.049 0.000 1.989 153 C HN 0.530 nan 8.230 nan 0.000 0.491 154 E N 1.054 121.211 120.200 -0.072 0.000 2.051 154 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 154 E C 1.920 178.428 176.600 -0.154 0.000 0.991 154 E CA 1.134 57.466 56.400 -0.114 0.000 0.799 154 E CB -0.528 29.130 29.700 -0.070 0.000 0.748 154 E HN 0.462 nan 8.360 nan 0.000 0.449 155 L N -0.244 120.907 121.223 -0.119 0.000 2.012 155 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 155 L C 2.248 179.016 176.870 -0.170 0.000 1.073 155 L CA 1.638 56.382 54.840 -0.160 0.000 0.748 155 L CB -0.540 41.438 42.059 -0.135 0.000 0.891 155 L HN 0.138 nan 8.230 nan 0.000 0.431 156 V N -0.138 119.704 119.914 -0.119 0.000 2.548 156 V HA 0.089 4.209 4.120 -0.001 0.000 0.249 156 V C 1.769 177.782 176.094 -0.135 0.000 1.055 156 V CA 1.349 63.589 62.300 -0.099 0.000 1.065 156 V CB -0.713 31.078 31.823 -0.053 0.000 0.681 156 V HN 0.800 nan 8.190 nan 0.000 0.462 157 G N -0.635 108.064 108.800 -0.169 0.000 2.148 157 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.157 157 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.157 157 G C -0.017 174.777 174.900 -0.176 0.000 1.012 157 G CA -0.115 44.885 45.100 -0.166 0.000 0.677 157 G HN 0.319 nan 8.290 nan 0.000 0.506 158 V N 1.719 121.492 119.914 -0.235 0.000 2.508 158 V HA 0.339 4.458 4.120 -0.001 0.000 0.281 158 V C -1.287 174.730 176.094 -0.129 0.000 1.041 158 V CA -1.091 61.059 62.300 -0.250 0.000 1.016 158 V CB 1.178 32.698 31.823 -0.505 0.000 0.984 158 V HN 0.141 nan 8.190 nan 0.000 0.478 159 P HA 0.108 nan 4.420 nan 0.000 0.265 159 P C 0.773 178.067 177.300 -0.011 0.000 1.193 159 P CA 0.003 63.090 63.100 -0.021 0.000 0.765 159 P CB 0.543 32.254 31.700 0.017 0.000 0.823 160 R N 2.722 123.220 120.500 -0.003 0.000 2.113 160 R HA -0.211 4.128 4.340 -0.001 0.000 0.244 160 R C 1.082 177.393 176.300 0.018 0.000 1.142 160 R CA 2.013 58.120 56.100 0.011 0.000 0.953 160 R CB -0.436 29.879 30.300 0.025 0.000 0.860 160 R HN 0.494 nan 8.270 nan 0.000 0.438 161 D N -0.143 120.272 120.400 0.025 0.000 2.378 161 D HA -0.092 4.547 4.640 -0.001 0.000 0.222 161 D C 0.472 176.793 176.300 0.035 0.000 0.980 161 D CA 0.856 54.873 54.000 0.030 0.000 0.907 161 D CB 0.014 40.833 40.800 0.032 0.000 0.899 161 D HN 0.307 nan 8.370 nan 0.000 0.527 162 D N -0.353 120.070 120.400 0.038 0.000 2.379 162 D HA 0.077 4.716 4.640 -0.001 0.000 0.208 162 D C 1.899 178.207 176.300 0.014 0.000 1.065 162 D CA -0.049 53.972 54.000 0.036 0.000 0.848 162 D CB 0.233 41.092 40.800 0.100 0.000 0.949 162 D HN 0.125 nan 8.370 nan 0.000 0.509 163 R N 0.789 121.300 120.500 0.019 0.000 2.091 163 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 163 R C 1.339 177.680 176.300 0.069 0.000 1.136 163 R CA 1.155 57.282 56.100 0.046 0.000 0.959 163 R CB -0.067 30.250 30.300 0.028 0.000 0.856 163 R HN 0.137 nan 8.270 nan 0.000 0.437 164 D N 0.630 121.052 120.400 0.037 0.000 2.097 164 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 164 D C 1.839 178.146 176.300 0.011 0.000 0.989 164 D CA 1.258 55.272 54.000 0.024 0.000 0.827 164 D CB -0.207 40.602 40.800 0.015 0.000 0.966 164 D HN 0.194 nan 8.370 nan 0.000 0.456 165 M N -0.356 119.246 119.600 0.003 0.000 2.117 165 M HA -0.199 4.280 4.480 -0.001 0.000 0.262 165 M C 2.151 178.420 176.300 -0.052 0.000 1.065 165 M CA 1.283 56.566 55.300 -0.028 0.000 1.114 165 M CB -0.168 32.408 32.600 -0.039 0.000 1.361 165 M HN -0.068 nan 8.290 nan 0.000 0.408 166 F N 1.101 120.924 119.950 -0.213 0.000 2.126 166 F HA -0.288 4.239 4.527 -0.001 0.000 0.299 166 F C 2.035 177.749 175.800 -0.143 0.000 1.096 166 F CA 1.675 59.545 58.000 -0.217 0.000 1.255 166 F CB -0.206 38.667 39.000 -0.213 0.000 0.997 166 F HN 0.157 nan 8.300 nan 0.000 0.479 167 M N 0.429 120.008 119.600 -0.034 0.000 2.117 167 M HA -0.202 4.278 4.480 -0.001 0.000 0.262 167 M C 2.023 178.168 176.300 -0.259 0.000 1.065 167 M CA 1.631 56.815 55.300 -0.194 0.000 1.114 167 M CB -1.278 31.292 32.600 -0.049 0.000 1.361 167 M HN 0.139 nan 8.290 nan 0.000 0.408 168 K N 0.054 120.369 120.400 -0.142 0.000 2.057 168 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 168 K C 2.126 178.625 176.600 -0.167 0.000 1.049 168 K CA 1.079 57.301 56.287 -0.108 0.000 0.931 168 K CB -0.349 32.115 32.500 -0.060 0.000 0.714 168 K HN 0.317 nan 8.250 nan 0.000 0.440 169 L N 0.545 121.628 121.223 -0.234 0.000 2.027 169 L HA -0.213 4.127 4.340 -0.001 0.000 0.206 169 L C 2.887 179.381 176.870 -0.627 0.000 1.074 169 L CA 0.841 55.517 54.840 -0.273 0.000 0.745 169 L CB -0.600 41.393 42.059 -0.110 0.000 0.898 169 L HN 0.379 nan 8.230 nan 0.000 0.433 170 C N -0.369 118.362 119.300 -0.948 0.000 2.436 170 C HA -0.192 4.268 4.460 -0.001 0.000 0.277 170 C C 2.939 177.679 174.990 -0.418 0.000 1.241 170 C CA 0.865 59.120 59.018 -1.271 0.000 1.721 170 C CB -0.908 26.193 27.740 -1.064 0.000 2.043 170 C HN 0.506 nan 8.230 nan 0.000 0.472 171 H N -0.021 118.890 119.070 -0.265 0.000 2.428 171 H HA 0.084 4.640 4.556 -0.001 0.000 0.296 171 H C 2.473 177.723 175.328 -0.130 0.000 1.062 171 H CA 1.510 57.467 56.048 -0.152 0.000 1.350 171 H CB -1.147 28.549 29.762 -0.110 0.000 1.403 171 H HN 0.619 nan 8.280 nan 0.000 0.533 172 G N 1.086 109.876 108.800 -0.017 0.000 2.422 172 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 172 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 172 G C 1.464 176.352 174.900 -0.019 0.000 1.146 172 G CA 1.005 46.089 45.100 -0.027 0.000 0.769 172 G HN 0.579 nan 8.290 nan 0.000 0.547 173 H N 0.154 119.104 119.070 -0.201 0.000 2.563 173 H HA 0.185 4.740 4.556 -0.001 0.000 0.272 173 H C 1.386 176.645 175.328 -0.114 0.000 1.005 173 H CA 0.370 56.327 56.048 -0.152 0.000 1.171 173 H CB -0.246 29.401 29.762 -0.191 0.000 1.351 173 H HN 0.371 nan 8.280 nan 0.000 0.602 174 L N 0.356 121.354 121.223 -0.374 0.000 3.016 174 L HA 0.172 4.511 4.340 -0.001 0.000 0.267 174 L C 0.033 176.798 176.870 -0.175 0.000 1.182 174 L CA -0.239 54.388 54.840 -0.356 0.000 0.997 174 L CB 0.650 42.480 42.059 -0.383 0.000 1.354 174 L HN -0.030 nan 8.230 nan 0.000 0.569 175 D N 1.224 121.554 120.400 -0.117 0.000 2.352 175 D HA 0.221 4.861 4.640 -0.001 0.000 0.245 175 D C 1.034 177.291 176.300 -0.073 0.000 1.224 175 D CA 0.130 54.081 54.000 -0.082 0.000 0.879 175 D CB 1.913 42.680 40.800 -0.054 0.000 1.057 175 D HN 0.178 nan 8.370 nan 0.000 0.491 176 A N 3.010 125.785 122.820 -0.075 0.000 2.015 176 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 176 A C 2.078 179.633 177.584 -0.047 0.000 1.163 176 A CA 1.570 53.570 52.037 -0.061 0.000 0.646 176 A CB -0.368 18.593 19.000 -0.063 0.000 0.806 176 A HN 0.585 nan 8.150 nan 0.000 0.448 177 S N -0.668 115.005 115.700 -0.046 0.000 2.515 177 S HA 0.141 4.611 4.470 -0.001 0.000 0.231 177 S C 0.725 175.307 174.600 -0.030 0.000 0.987 177 S CA -0.000 58.178 58.200 -0.036 0.000 0.936 177 S CB -0.650 62.529 63.200 -0.035 0.000 0.766 177 S HN 0.398 nan 8.310 nan 0.000 0.528 178 L N 2.305 123.510 121.223 -0.030 0.000 2.468 178 L HA 0.394 4.733 4.340 -0.001 0.000 0.254 178 L C 1.017 177.875 176.870 -0.020 0.000 1.171 178 L CA -0.635 54.191 54.840 -0.023 0.000 0.809 178 L CB 0.711 42.756 42.059 -0.022 0.000 1.155 178 L HN 0.297 nan 8.230 nan 0.000 0.473 179 S N -0.278 115.413 115.700 -0.014 0.000 2.600 179 S HA 0.028 4.498 4.470 -0.001 0.000 0.265 179 S C 0.686 175.281 174.600 -0.009 0.000 1.325 179 S CA -0.462 57.731 58.200 -0.011 0.000 1.002 179 S CB 1.341 64.536 63.200 -0.007 0.000 0.921 179 S HN 0.615 nan 8.310 nan 0.000 0.554 180 Q N 1.228 121.023 119.800 -0.007 0.000 2.050 180 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 180 Q C 2.079 178.079 176.000 0.001 0.000 0.980 180 Q CA 1.988 57.789 55.803 -0.005 0.000 0.840 180 Q CB -0.571 28.165 28.738 -0.003 0.000 0.898 180 Q HN 0.934 nan 8.270 nan 0.000 0.424 181 K N 0.047 120.449 120.400 0.002 0.000 2.063 181 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 181 K C 2.193 178.798 176.600 0.008 0.000 1.048 181 K CA 1.363 57.654 56.287 0.006 0.000 0.928 181 K CB -0.083 32.420 32.500 0.005 0.000 0.713 181 K HN 0.002 nan 8.250 nan 0.000 0.442 182 R N 0.369 120.871 120.500 0.004 0.000 2.075 182 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 182 R C 2.493 178.797 176.300 0.007 0.000 1.126 182 R CA 1.517 57.619 56.100 0.004 0.000 0.963 182 R CB -0.098 30.200 30.300 -0.002 0.000 0.858 182 R HN 0.132 nan 8.270 nan 0.000 0.435 183 R N -0.285 120.217 120.500 0.003 0.000 2.115 183 R HA -0.051 4.288 4.340 -0.001 0.000 0.230 183 R C 1.928 178.246 176.300 0.029 0.000 1.111 183 R CA 1.371 57.474 56.100 0.006 0.000 0.976 183 R CB -0.128 30.165 30.300 -0.012 0.000 0.870 183 R HN 0.267 nan 8.270 nan 0.000 0.445 184 A N 0.319 123.156 122.820 0.027 0.000 1.968 184 A HA 0.034 4.354 4.320 -0.001 0.000 0.217 184 A C 2.225 179.837 177.584 0.047 0.000 1.169 184 A CA 1.247 53.308 52.037 0.040 0.000 0.638 184 A CB -0.441 18.577 19.000 0.029 0.000 0.812 184 A HN 0.485 nan 8.150 nan 0.000 0.446 185 A N -0.175 122.666 122.820 0.036 0.000 1.929 185 A HA 0.054 4.374 4.320 -0.001 0.000 0.216 185 A C 2.100 179.712 177.584 0.046 0.000 1.176 185 A CA 1.262 53.321 52.037 0.037 0.000 0.628 185 A CB -0.516 18.499 19.000 0.026 0.000 0.816 185 A HN 0.443 nan 8.150 nan 0.000 0.444 186 L N -0.704 120.544 121.223 0.042 0.000 2.093 186 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 186 L C 2.760 179.675 176.870 0.076 0.000 1.085 186 L CA 0.989 55.853 54.840 0.040 0.000 0.755 186 L CB -0.625 41.443 42.059 0.015 0.000 0.904 186 L HN 0.495 nan 8.230 nan 0.000 0.435 187 G N -0.338 108.527 108.800 0.109 0.000 2.408 187 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.217 187 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.217 187 G C 1.176 176.158 174.900 0.136 0.000 1.150 187 G CA 0.972 46.167 45.100 0.160 0.000 0.776 187 G HN 0.436 nan 8.290 nan 0.000 0.542 188 D N 0.190 120.648 120.400 0.097 0.000 2.117 188 D HA -0.065 4.575 4.640 -0.001 0.000 0.198 188 D C 2.356 178.706 176.300 0.084 0.000 0.982 188 D CA 1.101 55.148 54.000 0.078 0.000 0.828 188 D CB -0.091 40.743 40.800 0.057 0.000 0.967 188 D HN 0.270 nan 8.370 nan 0.000 0.464 189 K N -0.956 119.499 120.400 0.092 0.000 2.057 189 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 189 K C 1.965 178.655 176.600 0.150 0.000 1.050 189 K CA 0.837 57.186 56.287 0.104 0.000 0.935 189 K CB -0.307 32.244 32.500 0.085 0.000 0.715 189 K HN 0.172 nan 8.250 nan 0.000 0.439 190 F N 1.865 121.785 119.950 -0.050 0.000 2.102 190 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 190 F C 2.235 178.026 175.800 -0.014 0.000 1.105 190 F CA 1.437 59.371 58.000 -0.110 0.000 1.239 190 F CB -0.416 38.377 39.000 -0.345 0.000 0.991 190 F HN -0.113 nan 8.300 nan 0.000 0.474 191 S N 0.281 115.987 115.700 0.011 0.000 2.359 191 S HA -0.207 4.262 4.470 -0.001 0.000 0.224 191 S C 2.056 176.620 174.600 -0.059 0.000 1.035 191 S CA 1.455 59.618 58.200 -0.062 0.000 1.018 191 S CB -0.351 62.862 63.200 0.021 0.000 0.876 191 S HN 0.365 nan 8.310 nan 0.000 0.448 192 R N -0.654 119.849 120.500 0.004 0.000 2.096 192 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 192 R C 2.227 178.525 176.300 -0.004 0.000 1.127 192 R CA 1.531 57.635 56.100 0.006 0.000 0.968 192 R CB -0.375 29.948 30.300 0.038 0.000 0.861 192 R HN 0.506 nan 8.270 nan 0.000 0.440 193 Y N 0.986 121.238 120.300 -0.081 0.000 2.184 193 Y HA -0.130 4.419 4.550 -0.001 0.000 0.290 193 Y C 2.005 177.840 175.900 -0.108 0.000 1.129 193 Y CA 1.324 59.388 58.100 -0.061 0.000 1.144 193 Y CB -0.123 38.340 38.460 0.004 0.000 0.995 193 Y HN -0.041 nan 8.280 nan 0.000 0.513 194 L N -0.431 120.746 121.223 -0.077 0.000 2.046 194 L HA -0.260 4.080 4.340 -0.001 0.000 0.208 194 L C 2.322 179.096 176.870 -0.160 0.000 1.077 194 L CA 1.376 56.122 54.840 -0.157 0.000 0.747 194 L CB -0.495 41.351 42.059 -0.355 0.000 0.896 194 L HN 0.344 nan 8.230 nan 0.000 0.432 195 L N -0.909 120.229 121.223 -0.141 0.000 2.083 195 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 195 L C 2.764 179.557 176.870 -0.128 0.000 1.083 195 L CA 1.088 55.863 54.840 -0.109 0.000 0.752 195 L CB -0.669 41.344 42.059 -0.077 0.000 0.899 195 L HN 0.248 nan 8.230 nan 0.000 0.433 196 A N -0.282 122.433 122.820 -0.174 0.000 1.930 196 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 196 A C 2.315 179.764 177.584 -0.225 0.000 1.175 196 A CA 1.668 53.591 52.037 -0.189 0.000 0.627 196 A CB -0.437 18.430 19.000 -0.222 0.000 0.815 196 A HN 0.431 nan 8.150 nan 0.000 0.443 197 M N -0.443 118.972 119.600 -0.309 0.000 2.132 197 M HA -0.073 4.407 4.480 -0.001 0.000 0.263 197 M C 1.822 178.031 176.300 -0.151 0.000 1.065 197 M CA 1.807 56.946 55.300 -0.268 0.000 1.122 197 M CB -0.319 32.105 32.600 -0.294 0.000 1.365 197 M HN 0.366 nan 8.290 nan 0.000 0.411 198 I N 0.586 121.084 120.570 -0.120 0.000 2.286 198 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 198 I C 2.635 178.712 176.117 -0.065 0.000 1.115 198 I CA 1.222 62.480 61.300 -0.071 0.000 1.392 198 I CB -0.640 37.329 38.000 -0.053 0.000 1.065 198 I HN 0.432 nan 8.210 nan 0.000 0.418 199 A N 0.729 123.502 122.820 -0.078 0.000 1.898 199 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 199 A C 2.397 179.943 177.584 -0.064 0.000 1.181 199 A CA 1.367 53.366 52.037 -0.063 0.000 0.620 199 A CB -0.511 18.449 19.000 -0.066 0.000 0.819 199 A HN 0.297 nan 8.150 nan 0.000 0.442 200 R N -0.479 119.971 120.500 -0.083 0.000 2.081 200 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 200 R C 1.995 178.256 176.300 -0.064 0.000 1.131 200 R CA 1.368 57.422 56.100 -0.077 0.000 0.960 200 R CB -0.248 29.993 30.300 -0.098 0.000 0.856 200 R HN 0.486 nan 8.270 nan 0.000 0.436 201 E N 0.447 120.608 120.200 -0.065 0.000 2.150 201 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 201 E C 1.989 178.567 176.600 -0.036 0.000 0.985 201 E CA 0.967 57.336 56.400 -0.051 0.000 0.814 201 E CB -0.047 29.626 29.700 -0.046 0.000 0.752 201 E HN 0.332 nan 8.360 nan 0.000 0.466 202 R N 0.619 121.100 120.500 -0.031 0.000 2.092 202 R HA -0.085 4.255 4.340 -0.001 0.000 0.231 202 R C 2.283 178.569 176.300 -0.024 0.000 1.119 202 R CA 1.117 57.204 56.100 -0.021 0.000 0.970 202 R CB -0.098 30.191 30.300 -0.017 0.000 0.864 202 R HN -0.081 nan 8.270 nan 0.000 0.440 203 K N 1.142 121.524 120.400 -0.031 0.000 2.057 203 K HA -0.106 4.213 4.320 -0.001 0.000 0.206 203 K C 0.186 176.769 176.600 -0.029 0.000 1.050 203 K CA 1.254 57.524 56.287 -0.029 0.000 0.935 203 K CB 0.312 32.793 32.500 -0.033 0.000 0.715 203 K HN 0.002 nan 8.250 nan 0.000 0.439 204 E N 0.095 120.274 120.200 -0.034 0.000 2.649 204 E HA 0.238 4.588 4.350 -0.001 0.000 0.310 204 E C -2.675 173.902 176.600 -0.039 0.000 1.036 204 E CA -2.140 54.240 56.400 -0.034 0.000 0.772 204 E CB 1.082 30.762 29.700 -0.033 0.000 1.513 204 E HN -0.086 nan 8.360 nan 0.000 0.384 205 P HA 0.093 nan 4.420 nan 0.000 0.264 205 P C -0.018 177.253 177.300 -0.049 0.000 1.193 205 P CA 0.237 63.312 63.100 -0.042 0.000 0.763 205 P CB 1.116 32.794 31.700 -0.038 0.000 0.810 206 G N 2.226 110.991 108.800 -0.059 0.000 2.583 206 G HA2 0.139 4.099 3.960 -0.001 0.000 0.280 206 G HA3 0.139 4.099 3.960 -0.001 0.000 0.280 206 G C 0.459 175.312 174.900 -0.079 0.000 1.376 206 G CA -0.341 44.718 45.100 -0.069 0.000 1.043 206 G HN 0.326 nan 8.290 nan 0.000 0.538 207 E N -0.250 119.892 120.200 -0.097 0.000 2.481 207 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 207 E C 1.571 178.090 176.600 -0.135 0.000 1.047 207 E CA 0.170 56.504 56.400 -0.109 0.000 0.867 207 E CB 0.034 29.663 29.700 -0.119 0.000 0.858 207 E HN 0.382 nan 8.360 nan 0.000 0.513 208 G N 0.674 109.390 108.800 -0.140 0.000 2.621 208 G HA2 0.108 4.068 3.960 -0.001 0.000 0.271 208 G HA3 0.108 4.068 3.960 -0.001 0.000 0.271 208 G C 0.923 175.737 174.900 -0.143 0.000 1.236 208 G CA -0.365 44.641 45.100 -0.158 0.000 0.958 208 G HN 0.076 nan 8.290 nan 0.000 0.512 209 M N -0.381 119.118 119.600 -0.168 0.000 2.082 209 M HA -0.118 4.361 4.480 -0.001 0.000 0.258 209 M C 2.328 178.600 176.300 -0.047 0.000 1.069 209 M CA 1.671 56.877 55.300 -0.158 0.000 1.102 209 M CB -0.295 32.192 32.600 -0.188 0.000 1.336 209 M HN 0.557 nan 8.290 nan 0.000 0.404 210 I N -0.512 120.047 120.570 -0.018 0.000 2.202 210 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 210 I C 2.568 178.691 176.117 0.010 0.000 1.091 210 I CA 1.329 62.647 61.300 0.030 0.000 1.368 210 I CB -1.146 36.864 38.000 0.016 0.000 1.058 210 I HN 0.448 nan 8.210 nan 0.000 0.410 211 G N 0.620 109.402 108.800 -0.030 0.000 2.442 211 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.219 211 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.219 211 G C 1.855 176.736 174.900 -0.031 0.000 1.141 211 G CA 0.891 45.969 45.100 -0.036 0.000 0.763 211 G HN 0.495 nan 8.290 nan 0.000 0.554 212 A N 0.010 122.805 122.820 -0.041 0.000 1.898 212 A HA 0.121 4.441 4.320 -0.001 0.000 0.216 212 A C 2.604 180.187 177.584 -0.003 0.000 1.181 212 A CA 1.750 53.764 52.037 -0.040 0.000 0.620 212 A CB -0.523 18.441 19.000 -0.061 0.000 0.819 212 A HN 0.250 nan 8.150 nan 0.000 0.442 213 V N 0.330 120.274 119.914 0.049 0.000 2.307 213 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 213 V C 2.734 178.910 176.094 0.138 0.000 1.045 213 V CA 2.027 64.414 62.300 0.145 0.000 1.024 213 V CB -0.849 31.099 31.823 0.209 0.000 0.651 213 V HN 0.594 nan 8.190 nan 0.000 0.449 214 V N -0.970 118.995 119.914 0.086 0.000 2.667 214 V HA -0.028 4.091 4.120 -0.001 0.000 0.252 214 V C 2.409 178.510 176.094 0.012 0.000 1.065 214 V CA 1.645 63.983 62.300 0.064 0.000 1.083 214 V CB -1.176 30.671 31.823 0.040 0.000 0.692 214 V HN 0.366 nan 8.190 nan 0.000 0.468 215 A N 0.559 123.366 122.820 -0.022 0.000 1.969 215 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 215 A C 2.197 179.715 177.584 -0.110 0.000 1.169 215 A CA 1.951 53.954 52.037 -0.057 0.000 0.635 215 A CB -0.454 18.510 19.000 -0.061 0.000 0.810 215 A HN 0.650 nan 8.150 nan 0.000 0.445 216 E N -1.586 118.512 120.200 -0.171 0.000 2.140 216 E HA -0.010 4.340 4.350 -0.001 0.000 0.191 216 E C 1.010 177.264 176.600 -0.578 0.000 0.973 216 E CA 1.085 57.231 56.400 -0.423 0.000 0.829 216 E CB -0.219 29.120 29.700 -0.601 0.000 0.781 216 E HN 0.705 nan 8.360 nan 0.000 0.466 217 Y N -0.922 119.386 120.300 0.013 0.000 2.500 217 Y HA 0.358 4.908 4.550 -0.001 0.000 0.246 217 Y C 1.347 177.255 175.900 0.013 0.000 1.146 217 Y CA -0.252 57.858 58.100 0.016 0.000 1.230 217 Y CB 0.892 39.371 38.460 0.031 0.000 1.214 217 Y HN 0.200 nan 8.280 nan 0.000 0.526 218 G N 1.355 110.219 108.800 0.107 0.000 2.652 218 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.318 218 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.318 218 G C 0.676 175.622 174.900 0.077 0.000 1.295 218 G CA 1.033 46.174 45.100 0.069 0.000 0.999 218 G HN 0.331 nan 8.290 nan 0.000 0.548 219 D N 0.850 121.281 120.400 0.052 0.000 2.309 219 D HA 0.021 4.661 4.640 -0.001 0.000 0.212 219 D C 1.885 178.210 176.300 0.041 0.000 0.968 219 D CA 1.193 55.215 54.000 0.037 0.000 0.882 219 D CB -0.345 40.468 40.800 0.021 0.000 0.918 219 D HN 0.389 nan 8.370 nan 0.000 0.503 220 D N 0.437 120.878 120.400 0.069 0.000 2.218 220 D HA -0.052 4.588 4.640 -0.001 0.000 0.204 220 D C 0.551 176.868 176.300 0.028 0.000 0.976 220 D CA 0.586 54.617 54.000 0.051 0.000 0.853 220 D CB -0.070 40.783 40.800 0.088 0.000 0.939 220 D HN 0.098 nan 8.370 nan 0.000 0.481 221 A N 0.857 123.722 122.820 0.074 0.000 2.316 221 A HA 0.431 4.751 4.320 -0.001 0.000 0.311 221 A C 0.633 178.225 177.584 0.013 0.000 1.339 221 A CA -0.505 51.570 52.037 0.063 0.000 0.960 221 A CB -0.116 18.985 19.000 0.168 0.000 1.152 221 A HN 0.140 nan 8.150 nan 0.000 0.547 222 T N -0.006 114.523 114.554 -0.042 0.000 2.828 222 T HA 0.192 4.542 4.350 -0.001 0.000 0.290 222 T C 0.481 175.144 174.700 -0.062 0.000 1.019 222 T CA -0.109 61.962 62.100 -0.048 0.000 1.031 222 T CB 0.649 69.480 68.868 -0.062 0.000 1.001 222 T HN 0.466 nan 8.240 nan 0.000 0.531 223 D N 0.238 120.611 120.400 -0.045 0.000 2.123 223 D HA -0.106 4.533 4.640 -0.001 0.000 0.196 223 D C 2.004 178.264 176.300 -0.067 0.000 0.992 223 D CA 1.194 55.167 54.000 -0.045 0.000 0.833 223 D CB -0.073 40.705 40.800 -0.036 0.000 0.954 223 D HN 0.681 nan 8.370 nan 0.000 0.455 224 E N 0.488 120.644 120.200 -0.073 0.000 2.077 224 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 224 E C 1.982 178.485 176.600 -0.162 0.000 0.989 224 E CA 0.694 57.047 56.400 -0.079 0.000 0.800 224 E CB 0.016 29.683 29.700 -0.055 0.000 0.746 224 E HN 0.463 nan 8.360 nan 0.000 0.452 225 E N 0.491 120.535 120.200 -0.259 0.000 2.077 225 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 225 E C 2.310 178.470 176.600 -0.733 0.000 0.989 225 E CA 0.730 56.779 56.400 -0.584 0.000 0.800 225 E CB -0.056 29.285 29.700 -0.599 0.000 0.746 225 E HN 0.185 nan 8.360 nan 0.000 0.452 226 L N 0.556 121.591 121.223 -0.314 0.000 2.046 226 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 226 L C 2.752 179.629 176.870 0.012 0.000 1.077 226 L CA 1.138 55.944 54.840 -0.056 0.000 0.747 226 L CB -0.416 41.669 42.059 0.042 0.000 0.896 226 L HN 0.080 nan 8.230 nan 0.000 0.432 227 R N 0.418 120.903 120.500 -0.027 0.000 2.083 227 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 227 R C 2.259 178.619 176.300 0.099 0.000 1.137 227 R CA 1.652 57.773 56.100 0.035 0.000 0.951 227 R CB -0.563 29.744 30.300 0.010 0.000 0.851 227 R HN 0.391 nan 8.270 nan 0.000 0.434 228 G N 0.106 108.912 108.800 0.010 0.000 2.418 228 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 228 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 228 G C 1.413 176.441 174.900 0.213 0.000 1.158 228 G CA 0.727 45.868 45.100 0.068 0.000 0.771 228 G HN 0.351 nan 8.290 nan 0.000 0.545 229 F N 0.355 120.388 119.950 0.139 0.000 2.134 229 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 229 F C 3.111 179.027 175.800 0.193 0.000 1.097 229 F CA 0.490 58.582 58.000 0.154 0.000 1.264 229 F CB -0.335 38.748 39.000 0.138 0.000 1.001 229 F HN 0.165 nan 8.300 nan 0.000 0.479 230 C N -0.181 119.352 119.300 0.389 0.000 2.413 230 C HA -0.148 4.311 4.460 -0.001 0.000 0.276 230 C C 2.802 178.009 174.990 0.361 0.000 1.236 230 C CA 0.754 59.982 59.018 0.349 0.000 1.735 230 C CB -0.946 26.990 27.740 0.327 0.000 2.031 230 C HN 0.290 nan 8.230 nan 0.000 0.474 231 V N 0.541 120.664 119.914 0.349 0.000 2.343 231 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 231 V C 2.434 178.691 176.094 0.271 0.000 1.051 231 V CA 1.991 64.486 62.300 0.326 0.000 1.036 231 V CB -0.915 31.106 31.823 0.329 0.000 0.654 231 V HN 0.625 nan 8.190 nan 0.000 0.451 232 Q N -0.455 119.507 119.800 0.271 0.000 2.096 232 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 232 Q C 2.340 178.480 176.000 0.234 0.000 0.982 232 Q CA 1.871 57.818 55.803 0.241 0.000 0.850 232 Q CB -0.419 28.476 28.738 0.262 0.000 0.901 232 Q HN 0.527 nan 8.270 nan 0.000 0.422 233 V N 0.617 120.692 119.914 0.270 0.000 2.358 233 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 233 V C 2.185 178.429 176.094 0.251 0.000 1.047 233 V CA 1.346 63.809 62.300 0.272 0.000 1.035 233 V CB -0.384 31.644 31.823 0.341 0.000 0.658 233 V HN 0.438 nan 8.190 nan 0.000 0.452 234 M N -0.822 118.935 119.600 0.262 0.000 2.159 234 M HA -0.116 4.363 4.480 -0.001 0.000 0.263 234 M C 2.127 178.580 176.300 0.253 0.000 1.063 234 M CA 1.801 57.251 55.300 0.250 0.000 1.110 234 M CB -1.067 31.673 32.600 0.233 0.000 1.374 234 M HN 0.288 nan 8.290 nan 0.000 0.411 235 L N -0.782 120.577 121.223 0.226 0.000 2.131 235 L HA -0.048 4.292 4.340 -0.001 0.000 0.206 235 L C 2.557 179.513 176.870 0.145 0.000 1.087 235 L CA 0.778 55.724 54.840 0.176 0.000 0.767 235 L CB -0.696 41.443 42.059 0.134 0.000 0.917 235 L HN 0.225 nan 8.230 nan 0.000 0.441 236 A N -0.267 122.649 122.820 0.160 0.000 2.067 236 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 236 A C 1.932 179.606 177.584 0.150 0.000 1.156 236 A CA 1.236 53.362 52.037 0.147 0.000 0.683 236 A CB -0.486 18.603 19.000 0.148 0.000 0.808 236 A HN 0.397 nan 8.150 nan 0.000 0.455 237 G N -1.445 107.454 108.800 0.165 0.000 3.690 237 G HA2 0.257 4.216 3.960 -0.001 0.000 0.283 237 G HA3 0.257 4.216 3.960 -0.001 0.000 0.283 237 G C 0.537 175.523 174.900 0.143 0.000 1.057 237 G CA 0.677 45.874 45.100 0.162 0.000 0.821 237 G HN 0.318 nan 8.290 nan 0.000 0.526 238 D N 0.479 120.959 120.400 0.133 0.000 3.032 238 D HA -0.034 4.605 4.640 -0.001 0.000 0.280 238 D C 1.471 177.821 176.300 0.083 0.000 1.381 238 D CA 0.225 54.296 54.000 0.118 0.000 1.068 238 D CB 0.436 41.327 40.800 0.152 0.000 1.148 238 D HN -0.053 nan 8.370 nan 0.000 0.401 239 D N 0.639 121.076 120.400 0.062 0.000 2.149 239 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 239 D C 1.673 178.006 176.300 0.054 0.000 0.990 239 D CA 0.729 54.756 54.000 0.045 0.000 0.839 239 D CB -0.305 40.513 40.800 0.030 0.000 0.948 239 D HN 0.207 nan 8.370 nan 0.000 0.460 240 N N 0.303 119.044 118.700 0.069 0.000 2.166 240 N HA -0.093 4.647 4.740 -0.001 0.000 0.186 240 N C 1.803 177.356 175.510 0.071 0.000 1.019 240 N CA 0.473 53.562 53.050 0.065 0.000 0.856 240 N CB -0.019 38.521 38.487 0.087 0.000 0.993 240 N HN 0.237 nan 8.380 nan 0.000 0.426 241 I N 0.996 121.616 120.570 0.083 0.000 2.333 241 I HA -0.131 4.039 4.170 -0.001 0.000 0.246 241 I C 2.294 178.442 176.117 0.053 0.000 1.106 241 I CA 0.870 62.215 61.300 0.074 0.000 1.411 241 I CB -1.256 36.789 38.000 0.075 0.000 1.082 241 I HN 0.115 nan 8.210 nan 0.000 0.420 242 S N 1.027 116.756 115.700 0.048 0.000 2.399 242 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 242 S C 2.152 176.777 174.600 0.041 0.000 1.022 242 S CA 1.094 59.316 58.200 0.037 0.000 0.983 242 S CB -1.152 62.066 63.200 0.031 0.000 0.803 242 S HN 0.440 nan 8.310 nan 0.000 0.480 243 G N 1.619 110.445 108.800 0.043 0.000 2.402 243 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.216 243 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.216 243 G C 1.479 176.418 174.900 0.065 0.000 1.162 243 G CA 0.898 46.019 45.100 0.036 0.000 0.777 243 G HN 0.354 nan 8.290 nan 0.000 0.539 244 M N 0.318 119.971 119.600 0.088 0.000 2.175 244 M HA 0.121 4.601 4.480 -0.001 0.000 0.264 244 M C 2.580 179.032 176.300 0.252 0.000 1.063 244 M CA 0.805 56.198 55.300 0.155 0.000 1.119 244 M CB -0.789 31.900 32.600 0.149 0.000 1.377 244 M HN 0.238 nan 8.290 nan 0.000 0.415 245 I N -0.585 120.082 120.570 0.161 0.000 2.142 245 I HA -0.199 3.970 4.170 -0.001 0.000 0.240 245 I C 2.551 178.807 176.117 0.231 0.000 1.078 245 I CA 1.436 62.847 61.300 0.185 0.000 1.343 245 I CB -0.979 37.033 38.000 0.021 0.000 1.046 245 I HN 0.303 nan 8.210 nan 0.000 0.405 246 G N 1.032 109.903 108.800 0.118 0.000 2.433 246 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 246 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 246 G C 1.700 176.652 174.900 0.087 0.000 1.186 246 G CA 0.518 45.663 45.100 0.075 0.000 0.779 246 G HN 0.248 nan 8.290 nan 0.000 0.543 247 L N 0.920 122.197 121.223 0.089 0.000 2.083 247 L HA 0.027 4.367 4.340 -0.001 0.000 0.209 247 L C 3.163 180.125 176.870 0.153 0.000 1.083 247 L CA 0.865 55.769 54.840 0.107 0.000 0.752 247 L CB -0.613 41.507 42.059 0.102 0.000 0.899 247 L HN 0.338 nan 8.230 nan 0.000 0.433 248 G N -0.347 108.570 108.800 0.196 0.000 2.421 248 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 248 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 248 G C 1.583 176.491 174.900 0.012 0.000 1.171 248 G CA 0.920 46.089 45.100 0.115 0.000 0.775 248 G HN 0.186 nan 8.290 nan 0.000 0.543 249 V N 0.664 120.665 119.914 0.144 0.000 2.427 249 V HA -0.111 4.008 4.120 -0.001 0.000 0.248 249 V C 2.671 178.876 176.094 0.184 0.000 1.051 249 V CA 1.560 63.973 62.300 0.188 0.000 1.048 249 V CB -0.371 31.521 31.823 0.115 0.000 0.666 249 V HN 0.347 nan 8.190 nan 0.000 0.456 250 L N 0.965 122.264 121.223 0.127 0.000 2.046 250 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 250 L C 2.435 179.397 176.870 0.153 0.000 1.077 250 L CA 2.351 57.257 54.840 0.110 0.000 0.747 250 L CB -0.932 41.163 42.059 0.060 0.000 0.896 250 L HN 0.211 nan 8.230 nan 0.000 0.432 251 A N -0.926 122.003 122.820 0.180 0.000 1.902 251 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 251 A C 2.176 179.905 177.584 0.241 0.000 1.181 251 A CA 2.005 54.187 52.037 0.241 0.000 0.623 251 A CB -0.494 18.634 19.000 0.214 0.000 0.818 251 A HN 0.466 nan 8.150 nan 0.000 0.443 252 M N -0.438 119.243 119.600 0.135 0.000 2.200 252 M HA 0.038 4.518 4.480 -0.001 0.000 0.265 252 M C 2.054 178.419 176.300 0.109 0.000 1.066 252 M CA 1.091 56.429 55.300 0.063 0.000 1.127 252 M CB -1.344 31.216 32.600 -0.067 0.000 1.379 252 M HN 0.376 nan 8.290 nan 0.000 0.420 253 L N -0.791 120.545 121.223 0.188 0.000 2.201 253 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 253 L C 2.348 179.251 176.870 0.056 0.000 1.105 253 L CA 0.862 55.797 54.840 0.159 0.000 0.775 253 L CB -0.486 41.679 42.059 0.177 0.000 0.913 253 L HN 0.292 nan 8.230 nan 0.000 0.440 254 R N -1.048 119.467 120.500 0.025 0.000 2.276 254 R HA -0.005 4.334 4.340 -0.001 0.000 0.203 254 R C -0.083 175.942 176.300 -0.458 0.000 1.017 254 R CA 0.479 56.473 56.100 -0.177 0.000 1.010 254 R CB 0.069 30.259 30.300 -0.184 0.000 0.900 254 R HN 0.421 nan 8.270 nan 0.000 0.469 255 H N -0.798 118.255 119.070 -0.029 0.000 2.511 255 H HA 0.138 4.694 4.556 -0.001 0.000 0.228 255 H C -1.892 173.386 175.328 -0.083 0.000 1.424 255 H CA -1.593 54.417 56.048 -0.064 0.000 1.321 255 H CB 0.920 30.619 29.762 -0.105 0.000 1.720 255 H HN -0.026 nan 8.280 nan 0.000 0.512 256 P HA -0.234 nan 4.420 nan 0.000 0.217 256 P C 1.318 178.578 177.300 -0.066 0.000 1.148 256 P CA 1.243 64.321 63.100 -0.037 0.000 0.828 256 P CB 0.761 32.456 31.700 -0.009 0.000 0.783 257 E N -0.065 120.110 120.200 -0.043 0.000 2.204 257 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 257 E C 2.083 178.628 176.600 -0.092 0.000 0.990 257 E CA 0.814 57.181 56.400 -0.056 0.000 0.821 257 E CB -0.148 29.530 29.700 -0.037 0.000 0.750 257 E HN 0.438 nan 8.360 nan 0.000 0.477 258 Q N -0.225 119.515 119.800 -0.101 0.000 2.472 258 Q HA -0.032 4.308 4.340 -0.001 0.000 0.208 258 Q C 1.910 177.775 176.000 -0.225 0.000 0.958 258 Q CA 0.298 56.009 55.803 -0.153 0.000 0.932 258 Q CB 0.136 28.786 28.738 -0.148 0.000 1.007 258 Q HN 0.378 nan 8.270 nan 0.000 0.508 259 I N 1.050 121.464 120.570 -0.260 0.000 2.756 259 I HA -0.223 3.947 4.170 -0.001 0.000 0.262 259 I C 0.772 176.732 176.117 -0.262 0.000 1.225 259 I CA 0.822 61.880 61.300 -0.404 0.000 1.472 259 I CB -0.098 37.514 38.000 -0.646 0.000 1.094 259 I HN 0.111 nan 8.210 nan 0.000 0.454 260 D N 1.355 121.641 120.400 -0.190 0.000 2.309 260 D HA -0.137 4.502 4.640 -0.001 0.000 0.212 260 D C 2.151 178.354 176.300 -0.160 0.000 0.968 260 D CA 1.008 54.929 54.000 -0.131 0.000 0.882 260 D CB -0.064 40.678 40.800 -0.098 0.000 0.918 260 D HN 0.341 nan 8.370 nan 0.000 0.503 261 A N -0.625 122.026 122.820 -0.281 0.000 2.168 261 A HA -0.024 4.296 4.320 -0.001 0.000 0.215 261 A C 1.251 178.528 177.584 -0.511 0.000 1.152 261 A CA 0.540 52.334 52.037 -0.405 0.000 0.716 261 A CB -0.531 18.141 19.000 -0.548 0.000 0.794 261 A HN 0.249 nan 8.150 nan 0.000 0.465 262 F N -1.343 118.568 119.950 -0.065 0.000 2.678 262 F HA 0.239 4.765 4.527 -0.001 0.000 0.305 262 F C 1.769 177.598 175.800 0.049 0.000 1.090 262 F CA -0.079 57.937 58.000 0.028 0.000 1.272 262 F CB 0.530 39.577 39.000 0.077 0.000 1.060 262 F HN 0.029 nan 8.300 nan 0.000 0.576 263 R N -0.122 120.442 120.500 0.106 0.000 2.586 263 R HA 0.312 4.652 4.340 -0.001 0.000 0.336 263 R C 0.815 177.142 176.300 0.044 0.000 1.060 263 R CA 0.022 56.175 56.100 0.088 0.000 1.079 263 R CB 0.603 30.935 30.300 0.055 0.000 1.317 263 R HN 0.325 nan 8.270 nan 0.000 0.568 264 G N 0.588 109.404 108.800 0.027 0.000 3.392 264 G HA2 0.096 4.055 3.960 -0.001 0.000 0.185 264 G HA3 0.096 4.055 3.960 -0.001 0.000 0.185 264 G C -0.926 173.987 174.900 0.023 0.000 1.206 264 G CA -0.427 44.679 45.100 0.010 0.000 0.776 264 G HN 0.217 nan 8.290 nan 0.000 0.697 265 D N -0.800 119.605 120.400 0.008 0.000 2.387 265 D HA 0.254 4.893 4.640 -0.001 0.000 0.251 265 D C 1.132 177.450 176.300 0.030 0.000 1.141 265 D CA -0.189 53.822 54.000 0.019 0.000 0.987 265 D CB 1.586 42.392 40.800 0.008 0.000 1.116 265 D HN 0.512 nan 8.370 nan 0.000 0.491 266 E N -0.499 119.726 120.200 0.042 0.000 2.077 266 E HA -0.356 3.994 4.350 -0.001 0.000 0.193 266 E C 1.820 178.450 176.600 0.049 0.000 0.989 266 E CA 1.037 57.474 56.400 0.061 0.000 0.800 266 E CB -0.038 29.698 29.700 0.061 0.000 0.746 266 E HN 0.657 nan 8.360 nan 0.000 0.452 267 Q N 0.274 120.091 119.800 0.029 0.000 2.096 267 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 267 Q C 2.142 178.140 176.000 -0.004 0.000 0.982 267 Q CA 2.079 57.895 55.803 0.021 0.000 0.850 267 Q CB -0.072 28.673 28.738 0.012 0.000 0.901 267 Q HN 0.189 nan 8.270 nan 0.000 0.422 268 S N 0.235 115.916 115.700 -0.033 0.000 2.368 268 S HA -0.121 4.349 4.470 -0.001 0.000 0.225 268 S C 1.932 176.434 174.600 -0.163 0.000 1.030 268 S CA 0.999 59.142 58.200 -0.094 0.000 0.999 268 S CB -0.317 62.818 63.200 -0.108 0.000 0.844 268 S HN 0.601 nan 8.310 nan 0.000 0.459 269 A N 1.213 123.970 122.820 -0.105 0.000 1.929 269 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 269 A C 2.076 179.697 177.584 0.062 0.000 1.176 269 A CA 1.101 53.076 52.037 -0.102 0.000 0.628 269 A CB -0.484 18.641 19.000 0.208 0.000 0.816 269 A HN 0.539 nan 8.150 nan 0.000 0.444 270 Q N -0.577 119.275 119.800 0.088 0.000 2.079 270 Q HA -0.111 4.229 4.340 -0.001 0.000 0.200 270 Q C 2.299 178.364 176.000 0.108 0.000 0.974 270 Q CA 1.181 57.064 55.803 0.133 0.000 0.840 270 Q CB -0.186 28.618 28.738 0.111 0.000 0.898 270 Q HN 0.545 nan 8.270 nan 0.000 0.430 271 R N 0.373 120.896 120.500 0.037 0.000 2.096 271 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 271 R C 2.237 178.540 176.300 0.005 0.000 1.127 271 R CA 1.169 57.284 56.100 0.025 0.000 0.968 271 R CB -0.437 29.853 30.300 -0.016 0.000 0.861 271 R HN 0.216 nan 8.270 nan 0.000 0.440 272 A N 0.933 123.702 122.820 -0.085 0.000 1.902 272 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 272 A C 2.445 180.096 177.584 0.110 0.000 1.181 272 A CA 1.326 53.287 52.037 -0.127 0.000 0.623 272 A CB -0.550 18.123 19.000 -0.545 0.000 0.818 272 A HN 0.095 nan 8.150 nan 0.000 0.443 273 V N 0.793 120.869 119.914 0.270 0.000 2.343 273 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 273 V C 2.171 178.424 176.094 0.265 0.000 1.051 273 V CA 2.335 64.871 62.300 0.394 0.000 1.036 273 V CB -0.810 31.277 31.823 0.441 0.000 0.654 273 V HN 0.520 nan 8.190 nan 0.000 0.451 274 D N -0.362 120.176 120.400 0.230 0.000 2.117 274 D HA -0.190 4.449 4.640 -0.001 0.000 0.197 274 D C 2.168 178.557 176.300 0.147 0.000 0.987 274 D CA 1.530 55.675 54.000 0.243 0.000 0.829 274 D CB -0.160 40.798 40.800 0.263 0.000 0.961 274 D HN 0.512 nan 8.370 nan 0.000 0.460 275 E N 0.837 121.100 120.200 0.105 0.000 2.051 275 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 275 E C 2.225 178.857 176.600 0.054 0.000 0.991 275 E CA 0.731 57.163 56.400 0.054 0.000 0.799 275 E CB -0.447 29.246 29.700 -0.011 0.000 0.748 275 E HN 0.234 nan 8.360 nan 0.000 0.449 276 L N 0.059 121.328 121.223 0.077 0.000 2.083 276 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 276 L C 2.552 179.474 176.870 0.087 0.000 1.083 276 L CA 1.058 55.965 54.840 0.113 0.000 0.752 276 L CB -0.373 41.774 42.059 0.148 0.000 0.899 276 L HN 0.220 nan 8.230 nan 0.000 0.433 277 I N -0.626 119.950 120.570 0.011 0.000 2.226 277 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 277 I C 2.882 178.801 176.117 -0.331 0.000 1.100 277 I CA 1.230 62.424 61.300 -0.178 0.000 1.374 277 I CB -0.335 37.492 38.000 -0.287 0.000 1.057 277 I HN 0.274 nan 8.210 nan 0.000 0.413 278 R N 0.333 120.631 120.500 -0.337 0.000 2.066 278 R HA -0.249 4.091 4.340 -0.001 0.000 0.232 278 R C 2.587 178.859 176.300 -0.046 0.000 1.131 278 R CA 1.855 57.800 56.100 -0.257 0.000 0.955 278 R CB -0.589 29.687 30.300 -0.040 0.000 0.851 278 R HN 0.302 nan 8.270 nan 0.000 0.432 279 Y N 1.149 121.394 120.300 -0.091 0.000 2.224 279 Y HA -0.125 4.425 4.550 -0.001 0.000 0.289 279 Y C 1.799 177.681 175.900 -0.029 0.000 1.146 279 Y CA 1.680 59.750 58.100 -0.050 0.000 1.182 279 Y CB -0.053 38.377 38.460 -0.050 0.000 0.983 279 Y HN 0.063 nan 8.280 nan 0.000 0.524 280 L N -1.028 120.193 121.223 -0.003 0.000 2.416 280 L HA 0.023 4.362 4.340 -0.001 0.000 0.216 280 L C 0.625 177.444 176.870 -0.085 0.000 1.098 280 L CA 0.530 55.337 54.840 -0.055 0.000 0.840 280 L CB -0.710 41.401 42.059 0.087 0.000 0.981 280 L HN -0.096 nan 8.230 nan 0.000 0.462 281 T N 1.199 115.678 114.554 -0.125 0.000 2.637 281 T HA -0.142 4.207 4.350 -0.001 0.000 0.483 281 T C 1.425 176.037 174.700 -0.148 0.000 0.787 281 T CA 0.658 62.667 62.100 -0.152 0.000 2.753 281 T CB -0.859 67.932 68.868 -0.130 0.000 1.511 281 T HN 0.363 nan 8.240 nan 0.000 0.430 282 V N 0.471 120.310 119.914 -0.124 0.000 2.407 282 V HA 0.031 4.151 4.120 -0.001 0.000 0.248 282 V C -1.465 174.471 176.094 -0.264 0.000 1.055 282 V CA 0.438 62.660 62.300 -0.129 0.000 1.049 282 V CB -1.335 30.463 31.823 -0.042 0.000 0.662 282 V HN 0.462 nan 8.190 nan 0.000 0.455 283 P HA 0.202 nan 4.420 nan 0.000 0.276 283 P C -0.204 177.003 177.300 -0.154 0.000 1.235 283 P CA 0.208 63.237 63.100 -0.118 0.000 0.772 283 P CB 0.269 31.975 31.700 0.010 0.000 0.871 284 Y N 0.886 121.237 120.300 0.086 0.000 2.373 284 Y HA -0.039 4.511 4.550 -0.001 0.000 0.293 284 Y C 1.366 177.343 175.900 0.129 0.000 1.129 284 Y CA 1.045 59.196 58.100 0.085 0.000 1.226 284 Y CB 0.135 38.652 38.460 0.094 0.000 1.000 284 Y HN 0.386 nan 8.280 nan 0.000 0.549 285 S N -1.743 114.132 115.700 0.291 0.000 2.595 285 S HA 0.489 4.959 4.470 -0.001 0.000 0.270 285 S C -3.128 171.540 174.600 0.114 0.000 1.145 285 S CA -1.427 56.861 58.200 0.147 0.000 0.825 285 S CB 2.153 65.404 63.200 0.086 0.000 1.107 285 S HN -0.180 nan 8.310 nan 0.000 0.461 286 P HA 0.400 nan 4.420 nan 0.000 0.306 286 P C -0.477 176.577 177.300 -0.411 0.000 1.309 286 P CA -0.287 62.766 63.100 -0.078 0.000 0.759 286 P CB 0.023 31.672 31.700 -0.085 0.000 1.314 287 T N 1.627 115.903 114.554 -0.463 0.000 2.916 287 T HA 0.183 4.533 4.350 -0.001 0.000 0.303 287 T C -2.099 172.116 174.700 -0.807 0.000 1.025 287 T CA -0.339 61.216 62.100 -0.909 0.000 1.142 287 T CB -0.769 67.865 68.868 -0.391 0.000 0.947 287 T HN 0.320 nan 8.240 nan 0.000 0.544 288 P HA 0.145 nan 4.420 nan 0.000 0.267 288 P C -0.201 176.913 177.300 -0.311 0.000 1.200 288 P CA -0.207 62.559 63.100 -0.555 0.000 0.772 288 P CB 0.517 31.919 31.700 -0.496 0.000 0.855 289 R N 2.597 122.994 120.500 -0.172 0.000 2.589 289 R HA 0.559 4.898 4.340 -0.001 0.000 0.293 289 R C -0.372 175.994 176.300 0.109 0.000 0.963 289 R CA -0.774 55.303 56.100 -0.038 0.000 0.905 289 R CB 1.074 31.326 30.300 -0.079 0.000 1.144 289 R HN 0.408 nan 8.270 nan 0.000 0.459 290 I N 1.615 122.285 120.570 0.167 0.000 2.406 290 I HA 0.323 4.493 4.170 -0.001 0.000 0.290 290 I C 0.509 176.734 176.117 0.179 0.000 0.999 290 I CA -1.257 60.144 61.300 0.167 0.000 1.124 290 I CB 1.305 39.352 38.000 0.078 0.000 1.289 290 I HN 0.565 nan 8.210 nan 0.000 0.441 291 A N 6.832 129.738 122.820 0.144 0.000 2.524 291 A HA 0.216 4.536 4.320 -0.001 0.000 0.250 291 A C 1.029 178.532 177.584 -0.135 0.000 1.078 291 A CA -0.047 51.903 52.037 -0.146 0.000 0.761 291 A CB -0.014 18.933 19.000 -0.088 0.000 1.012 291 A HN 0.751 nan 8.150 nan 0.000 0.500 292 R N 0.993 121.361 120.500 -0.221 0.000 2.320 292 R HA 0.203 4.543 4.340 -0.001 0.000 0.211 292 R C -0.223 176.004 176.300 -0.122 0.000 0.931 292 R CA 0.488 56.512 56.100 -0.127 0.000 1.071 292 R CB 0.170 30.401 30.300 -0.114 0.000 1.025 292 R HN 0.892 nan 8.270 nan 0.000 0.495 293 E N -0.584 119.522 120.200 -0.156 0.000 2.377 293 E HA 0.037 4.386 4.350 -0.001 0.000 0.277 293 E C -1.862 174.660 176.600 -0.131 0.000 1.190 293 E CA -0.731 55.598 56.400 -0.118 0.000 0.917 293 E CB 1.046 30.678 29.700 -0.113 0.000 1.296 293 E HN -0.067 nan 8.360 nan 0.000 0.417 294 D N 1.292 121.641 120.400 -0.085 0.000 2.399 294 D HA 0.497 5.136 4.640 -0.001 0.000 0.241 294 D C -0.343 175.897 176.300 -0.100 0.000 1.133 294 D CA 0.553 54.510 54.000 -0.071 0.000 0.890 294 D CB 0.462 41.239 40.800 -0.038 0.000 1.201 294 D HN 0.422 nan 8.370 nan 0.000 0.432 295 L N -2.170 118.993 121.223 -0.101 0.000 2.869 295 L HA 0.580 4.919 4.340 -0.001 0.000 0.265 295 L C -1.110 175.703 176.870 -0.096 0.000 1.011 295 L CA -0.906 53.871 54.840 -0.105 0.000 0.913 295 L CB 1.983 43.953 42.059 -0.148 0.000 1.490 295 L HN 0.069 nan 8.230 nan 0.000 0.410 296 T N 2.902 117.407 114.554 -0.081 0.000 2.772 296 T HA 0.716 5.065 4.350 -0.001 0.000 0.288 296 T C -1.077 173.571 174.700 -0.087 0.000 0.994 296 T CA -0.203 61.844 62.100 -0.087 0.000 0.951 296 T CB 1.189 70.022 68.868 -0.058 0.000 0.933 296 T HN 0.561 nan 8.240 nan 0.000 0.447 297 L N 3.369 124.513 121.223 -0.132 0.000 2.356 297 L HA 0.723 5.063 4.340 -0.001 0.000 0.277 297 L C 0.413 177.204 176.870 -0.131 0.000 0.996 297 L CA -0.301 54.472 54.840 -0.111 0.000 0.822 297 L CB 0.828 42.826 42.059 -0.102 0.000 1.256 297 L HN 0.881 nan 8.230 nan 0.000 0.413 298 A N 3.978 126.750 122.820 -0.080 0.000 2.640 298 A HA 0.096 4.415 4.320 -0.001 0.000 0.300 298 A C 1.522 179.072 177.584 -0.056 0.000 1.499 298 A CA 1.540 53.540 52.037 -0.061 0.000 0.759 298 A CB -2.237 16.725 19.000 -0.063 0.000 1.048 298 A HN 2.546 nan 8.150 nan 0.000 0.450 299 G N -2.503 106.266 108.800 -0.052 0.000 2.175 299 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.265 299 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.265 299 G C -0.038 174.836 174.900 -0.042 0.000 0.979 299 G CA 1.044 46.123 45.100 -0.034 0.000 0.663 299 G HN 1.399 nan 8.290 nan 0.000 0.533 300 Q N 0.280 120.011 119.800 -0.115 0.000 2.266 300 Q HA 0.462 4.802 4.340 -0.001 0.000 0.261 300 Q C -0.193 175.683 176.000 -0.207 0.000 0.985 300 Q CA -0.566 55.133 55.803 -0.173 0.000 0.873 300 Q CB 1.420 29.875 28.738 -0.471 0.000 1.306 300 Q HN 0.444 nan 8.270 nan 0.000 0.447 301 E N 2.433 122.587 120.200 -0.076 0.000 2.044 301 E HA 0.255 4.604 4.350 -0.001 0.000 0.282 301 E C -0.128 176.461 176.600 -0.018 0.000 1.031 301 E CA -0.333 56.052 56.400 -0.024 0.000 0.824 301 E CB 0.713 30.455 29.700 0.071 0.000 1.076 301 E HN 0.352 nan 8.360 nan 0.000 0.395 302 I N 3.288 123.775 120.570 -0.138 0.000 2.331 302 I HA 0.210 4.379 4.170 -0.001 0.000 0.292 302 I C 0.584 176.720 176.117 0.031 0.000 0.998 302 I CA -0.757 60.484 61.300 -0.098 0.000 1.267 302 I CB 0.639 38.500 38.000 -0.231 0.000 1.386 302 I HN 0.025 nan 8.210 nan 0.000 0.476 303 K N 4.820 125.305 120.400 0.143 0.000 2.123 303 K HA 0.302 4.622 4.320 -0.001 0.000 0.259 303 K C -0.051 176.583 176.600 0.057 0.000 0.960 303 K CA -1.018 55.319 56.287 0.084 0.000 0.872 303 K CB 1.625 34.187 32.500 0.103 0.000 1.079 303 K HN 0.438 nan 8.250 nan 0.000 0.440 304 K N 0.317 120.722 120.400 0.009 0.000 2.530 304 K HA -0.066 4.253 4.320 -0.001 0.000 0.280 304 K C 0.740 177.353 176.600 0.020 0.000 1.004 304 K CA 1.590 57.871 56.287 -0.010 0.000 1.071 304 K CB -0.170 32.319 32.500 -0.020 0.000 0.876 304 K HN 0.787 nan 8.250 nan 0.000 0.487 305 G N 3.064 111.878 108.800 0.024 0.000 2.217 305 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.246 305 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.246 305 G C -0.297 174.647 174.900 0.073 0.000 0.990 305 G CA 0.209 45.333 45.100 0.039 0.000 0.627 305 G HN 0.741 nan 8.290 nan 0.000 0.522 306 D N 0.755 121.232 120.400 0.128 0.000 2.423 306 D HA 0.462 5.102 4.640 -0.001 0.000 0.238 306 D C 0.544 176.982 176.300 0.230 0.000 1.142 306 D CA 0.940 55.064 54.000 0.208 0.000 0.884 306 D CB 1.447 42.502 40.800 0.424 0.000 1.199 306 D HN 0.261 nan 8.370 nan 0.000 0.438 307 S N 0.610 116.433 115.700 0.205 0.000 2.489 307 S HA 0.505 4.974 4.470 -0.001 0.000 0.291 307 S C -0.793 173.981 174.600 0.291 0.000 1.151 307 S CA -0.741 57.590 58.200 0.217 0.000 1.082 307 S CB 0.694 64.031 63.200 0.229 0.000 1.019 307 S HN 0.141 nan 8.310 nan 0.000 0.492 308 V N 6.418 126.433 119.914 0.168 0.000 2.444 308 V HA 0.487 4.607 4.120 -0.001 0.000 0.294 308 V C -0.382 175.660 176.094 -0.086 0.000 1.022 308 V CA -0.614 61.735 62.300 0.082 0.000 0.850 308 V CB 1.365 33.137 31.823 -0.085 0.000 0.992 308 V HN 0.849 nan 8.190 nan 0.000 0.426 309 I N 4.012 124.512 120.570 -0.117 0.000 2.321 309 I HA 0.357 4.526 4.170 -0.001 0.000 0.291 309 I C -0.244 175.747 176.117 -0.208 0.000 0.998 309 I CA -0.140 61.000 61.300 -0.266 0.000 1.227 309 I CB 1.294 39.025 38.000 -0.449 0.000 1.368 309 I HN 0.527 nan 8.210 nan 0.000 0.466 310 C N 4.453 123.633 119.300 -0.200 0.000 2.285 310 C HA 0.249 4.709 4.460 -0.001 0.000 0.335 310 C C 0.941 175.882 174.990 -0.082 0.000 1.267 310 C CA -0.525 58.413 59.018 -0.134 0.000 1.762 310 C CB 0.461 28.122 27.740 -0.133 0.000 2.365 310 C HN 0.763 nan 8.230 nan 0.000 0.527 311 S N 4.010 119.685 115.700 -0.041 0.000 2.485 311 S HA 0.251 4.720 4.470 -0.001 0.000 0.312 311 S C 1.130 175.742 174.600 0.021 0.000 1.102 311 S CA -0.592 57.622 58.200 0.023 0.000 1.066 311 S CB -0.141 63.087 63.200 0.045 0.000 1.102 311 S HN 0.646 nan 8.310 nan 0.000 0.519 312 L N 5.513 126.752 121.223 0.027 0.000 2.083 312 L HA 0.004 4.343 4.340 -0.001 0.000 0.209 312 L C -0.773 176.105 176.870 0.012 0.000 1.083 312 L CA 0.969 55.822 54.840 0.021 0.000 0.752 312 L CB -1.706 40.365 42.059 0.019 0.000 0.899 312 L HN 0.438 nan 8.230 nan 0.000 0.433 313 P HA -0.136 nan 4.420 nan 0.000 0.217 313 P C 1.529 178.817 177.300 -0.020 0.000 1.150 313 P CA 1.708 64.785 63.100 -0.038 0.000 0.832 313 P CB 0.041 31.702 31.700 -0.066 0.000 0.787 314 A N 0.003 122.825 122.820 0.003 0.000 1.930 314 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 314 A C 2.297 179.897 177.584 0.027 0.000 1.175 314 A CA 1.841 53.882 52.037 0.007 0.000 0.627 314 A CB -1.556 17.453 19.000 0.016 0.000 0.815 314 A HN 0.177 nan 8.150 nan 0.000 0.443 315 A N 0.097 122.943 122.820 0.043 0.000 1.972 315 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 315 A C 1.671 179.340 177.584 0.140 0.000 1.169 315 A CA 1.585 53.676 52.037 0.091 0.000 0.635 315 A CB -0.470 18.573 19.000 0.072 0.000 0.810 315 A HN 0.493 nan 8.150 nan 0.000 0.446 316 N N -0.578 118.180 118.700 0.096 0.000 2.461 316 N HA 0.017 4.757 4.740 -0.001 0.000 0.188 316 N C 0.700 176.230 175.510 0.033 0.000 1.134 316 N CA 0.313 53.417 53.050 0.090 0.000 0.878 316 N CB 0.145 38.672 38.487 0.067 0.000 0.972 316 N HN 0.235 nan 8.380 nan 0.000 0.456 317 R N 0.339 120.850 120.500 0.018 0.000 2.577 317 R HA 0.124 4.464 4.340 -0.001 0.000 0.344 317 R C -0.364 175.940 176.300 0.007 0.000 1.037 317 R CA -0.359 55.744 56.100 0.005 0.000 1.102 317 R CB -0.238 30.054 30.300 -0.013 0.000 1.313 317 R HN 0.103 nan 8.270 nan 0.000 0.561 318 D N 2.128 122.534 120.400 0.010 0.000 2.472 318 D HA -0.000 4.639 4.640 -0.001 0.000 0.248 318 D C -1.469 174.824 176.300 -0.012 0.000 1.174 318 D CA -1.555 52.450 54.000 0.008 0.000 0.883 318 D CB 1.578 42.395 40.800 0.030 0.000 1.149 318 D HN -0.060 nan 8.370 nan 0.000 0.488 319 P HA -0.119 nan 4.420 nan 0.000 0.218 319 P C 0.827 178.117 177.300 -0.016 0.000 1.146 319 P CA 1.193 64.290 63.100 -0.006 0.000 0.813 319 P CB 0.149 31.850 31.700 0.001 0.000 0.778 320 A N -0.910 121.898 122.820 -0.020 0.000 2.067 320 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 320 A C 2.079 179.631 177.584 -0.053 0.000 1.158 320 A CA 0.990 53.011 52.037 -0.027 0.000 0.661 320 A CB -1.429 17.561 19.000 -0.017 0.000 0.801 320 A HN 0.158 nan 8.150 nan 0.000 0.452 321 L N -1.587 119.586 121.223 -0.084 0.000 2.156 321 L HA 0.167 4.506 4.340 -0.001 0.000 0.208 321 L C 1.033 177.863 176.870 -0.065 0.000 1.095 321 L CA 0.824 55.594 54.840 -0.118 0.000 0.770 321 L CB -0.370 41.587 42.059 -0.169 0.000 0.914 321 L HN 0.473 nan 8.230 nan 0.000 0.439 322 A N -2.132 120.664 122.820 -0.040 0.000 2.590 322 A HA 0.448 4.767 4.320 -0.001 0.000 0.296 322 A C -2.344 175.234 177.584 -0.011 0.000 1.050 322 A CA -0.753 51.270 52.037 -0.023 0.000 0.697 322 A CB 0.276 19.265 19.000 -0.019 0.000 1.277 322 A HN -0.193 nan 8.150 nan 0.000 0.411 323 P HA -0.038 nan 4.420 nan 0.000 0.220 323 P C 0.198 177.500 177.300 0.004 0.000 1.148 323 P CA 1.885 64.984 63.100 -0.002 0.000 0.803 323 P CB 0.111 31.809 31.700 -0.003 0.000 0.782 324 D N -1.713 118.689 120.400 0.004 0.000 2.788 324 D HA 0.021 4.660 4.640 -0.001 0.000 0.289 324 D C 1.104 177.416 176.300 0.021 0.000 1.340 324 D CA -0.614 53.393 54.000 0.011 0.000 0.831 324 D CB -0.763 40.038 40.800 0.002 0.000 1.103 324 D HN -0.097 nan 8.370 nan 0.000 0.476 325 V N 1.450 121.377 119.914 0.022 0.000 2.720 325 V HA -0.199 3.920 4.120 -0.001 0.000 0.256 325 V C 1.215 177.356 176.094 0.079 0.000 1.082 325 V CA 2.333 64.653 62.300 0.035 0.000 1.101 325 V CB -0.292 31.538 31.823 0.012 0.000 0.693 325 V HN 0.364 nan 8.190 nan 0.000 0.479 326 D N -0.904 119.545 120.400 0.082 0.000 2.340 326 D HA -0.022 4.618 4.640 -0.001 0.000 0.220 326 D C 0.732 177.168 176.300 0.228 0.000 1.039 326 D CA -0.062 54.016 54.000 0.130 0.000 0.866 326 D CB -0.062 40.789 40.800 0.085 0.000 0.913 326 D HN 0.336 nan 8.370 nan 0.000 0.523 327 R N 0.614 121.198 120.500 0.141 0.000 2.668 327 R HA 0.436 4.776 4.340 -0.001 0.000 0.279 327 R C -0.459 175.733 176.300 -0.180 0.000 0.976 327 R CA -1.162 54.960 56.100 0.037 0.000 0.978 327 R CB 1.756 32.048 30.300 -0.013 0.000 1.133 327 R HN 0.097 nan 8.270 nan 0.000 0.484 328 L N 2.037 122.870 121.223 -0.649 0.000 2.281 328 L HA 0.267 4.606 4.340 -0.001 0.000 0.285 328 L C -0.666 175.895 176.870 -0.515 0.000 1.074 328 L CA 0.365 54.642 54.840 -0.939 0.000 0.817 328 L CB 0.441 41.566 42.059 -1.556 0.000 1.168 328 L HN 0.468 nan 8.230 nan 0.000 0.434 329 D N 3.333 123.544 120.400 -0.315 0.000 2.328 329 D HA 0.100 4.739 4.640 -0.001 0.000 0.243 329 D C 0.772 176.974 176.300 -0.162 0.000 1.324 329 D CA -0.159 53.716 54.000 -0.209 0.000 0.966 329 D CB 1.210 41.932 40.800 -0.131 0.000 1.324 329 D HN 0.346 nan 8.370 nan 0.000 0.549 330 V N 1.888 121.692 119.914 -0.184 0.000 2.982 330 V HA -0.078 4.041 4.120 -0.001 0.000 0.265 330 V C 1.445 177.464 176.094 -0.125 0.000 1.122 330 V CA 2.184 64.389 62.300 -0.158 0.000 1.143 330 V CB -1.276 30.416 31.823 -0.218 0.000 0.726 330 V HN 0.635 nan 8.190 nan 0.000 0.507 331 T N -1.213 113.275 114.554 -0.110 0.000 3.069 331 T HA 0.233 4.582 4.350 -0.001 0.000 0.252 331 T C 0.929 175.594 174.700 -0.059 0.000 1.053 331 T CA -0.150 61.900 62.100 -0.083 0.000 0.964 331 T CB -0.279 68.541 68.868 -0.080 0.000 1.005 331 T HN 0.852 nan 8.240 nan 0.000 0.532 332 R N 1.116 121.582 120.500 -0.057 0.000 2.863 332 R HA 0.236 4.575 4.340 -0.001 0.000 0.273 332 R C -0.522 175.765 176.300 -0.022 0.000 1.057 332 R CA -0.571 55.506 56.100 -0.038 0.000 1.191 332 R CB 0.101 30.379 30.300 -0.036 0.000 1.104 332 R HN 0.017 nan 8.270 nan 0.000 0.519 333 E N 1.829 122.020 120.200 -0.015 0.000 2.328 333 E HA 0.097 4.447 4.350 -0.001 0.000 0.265 333 E C -1.980 174.622 176.600 0.003 0.000 1.057 333 E CA -1.752 54.644 56.400 -0.006 0.000 0.916 333 E CB 0.309 30.005 29.700 -0.007 0.000 0.993 333 E HN 0.465 nan 8.360 nan 0.000 0.446 334 P HA -0.007 nan 4.420 nan 0.000 0.264 334 P C -0.199 177.123 177.300 0.037 0.000 1.183 334 P CA 0.498 63.620 63.100 0.037 0.000 0.763 334 P CB 0.417 32.146 31.700 0.049 0.000 0.807 335 I N 5.688 126.293 120.570 0.059 0.000 2.339 335 I HA 0.221 4.391 4.170 -0.001 0.000 0.290 335 I C -1.937 174.228 176.117 0.079 0.000 0.994 335 I CA -2.453 58.872 61.300 0.042 0.000 1.191 335 I CB 1.641 39.660 38.000 0.031 0.000 1.343 335 I HN 0.157 nan 8.210 nan 0.000 0.458 336 P HA 0.064 nan 4.420 nan 0.000 0.264 336 P C -0.850 176.524 177.300 0.124 0.000 1.537 336 P CA -0.046 63.078 63.100 0.041 0.000 1.189 336 P CB -0.452 31.279 31.700 0.053 0.000 1.687 337 H N 0.052 119.231 119.070 0.181 0.000 2.544 337 H HA 0.355 4.911 4.556 -0.001 0.000 0.365 337 H C 0.682 176.137 175.328 0.211 0.000 1.268 337 H CA -1.037 55.130 56.048 0.198 0.000 1.400 337 H CB 0.642 30.472 29.762 0.113 0.000 1.538 337 H HN 0.059 nan 8.280 nan 0.000 0.597 338 V N -1.968 118.166 119.914 0.366 0.000 3.271 338 V HA 0.473 4.593 4.120 -0.001 0.000 0.327 338 V C 1.696 177.952 176.094 0.269 0.000 1.389 338 V CA 0.224 62.672 62.300 0.247 0.000 1.156 338 V CB -0.645 31.219 31.823 0.069 0.000 1.103 338 V HN 0.931 nan 8.190 nan 0.000 0.453 339 A N 0.276 123.327 122.820 0.386 0.000 2.070 339 A HA 0.110 4.429 4.320 -0.001 0.000 0.220 339 A C 1.621 179.180 177.584 -0.042 0.000 1.159 339 A CA 1.564 53.607 52.037 0.011 0.000 0.656 339 A CB -0.716 18.071 19.000 -0.355 0.000 0.800 339 A HN 0.635 nan 8.150 nan 0.000 0.453 340 F N -0.627 119.455 119.950 0.220 0.000 2.641 340 F HA 0.408 4.935 4.527 -0.001 0.000 0.302 340 F C 1.529 177.281 175.800 -0.081 0.000 1.098 340 F CA 0.378 58.376 58.000 -0.004 0.000 1.318 340 F CB 0.232 39.148 39.000 -0.141 0.000 1.035 340 F HN 0.469 nan 8.300 nan 0.000 0.551 341 G N 0.550 109.487 108.800 0.229 0.000 2.615 341 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.218 341 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.218 341 G C -1.440 173.687 174.900 0.378 0.000 1.339 341 G CA -0.486 44.744 45.100 0.216 0.000 0.884 341 G HN 0.528 nan 8.290 nan 0.000 0.559 342 H N -0.943 118.248 119.070 0.201 0.000 3.121 342 H HA 0.678 5.234 4.556 -0.001 0.000 0.337 342 H C 0.414 175.826 175.328 0.139 0.000 1.198 342 H CA 1.902 58.053 56.048 0.172 0.000 1.274 342 H CB 1.152 30.949 29.762 0.058 0.000 1.954 342 H HN 2.729 nan 8.280 nan 0.000 0.531 343 G N 0.955 109.420 108.800 -0.558 0.000 2.548 343 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.208 343 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.208 343 G C 1.076 175.916 174.900 -0.099 0.000 1.308 343 G CA 0.301 45.216 45.100 -0.309 0.000 0.924 343 G HN 1.510 nan 8.290 nan 0.000 0.540 344 V N -2.864 116.995 119.914 -0.092 0.000 2.594 344 V HA -0.053 4.067 4.120 -0.001 0.000 0.253 344 V C 1.890 177.879 176.094 -0.176 0.000 1.069 344 V CA 2.619 64.823 62.300 -0.160 0.000 1.082 344 V CB -0.714 30.908 31.823 -0.335 0.000 0.680 344 V HN 0.752 nan 8.190 nan 0.000 0.469 345 H N -0.694 118.340 119.070 -0.060 0.000 2.526 345 H HA 0.190 4.746 4.556 -0.001 0.000 0.274 345 H C 0.807 176.173 175.328 0.063 0.000 0.999 345 H CA 0.214 56.256 56.048 -0.009 0.000 1.157 345 H CB -0.368 29.352 29.762 -0.070 0.000 1.407 345 H HN 0.622 nan 8.280 nan 0.000 0.568 346 H N 1.264 120.380 119.070 0.076 0.000 3.140 346 H HA -0.118 4.438 4.556 -0.001 0.000 0.316 346 H C 0.110 175.471 175.328 0.055 0.000 0.986 346 H CA 0.217 56.311 56.048 0.076 0.000 1.397 346 H CB 0.489 30.266 29.762 0.025 0.000 1.377 346 H HN 0.270 nan 8.280 nan 0.000 0.585 347 C N 7.027 126.078 119.300 -0.415 0.000 2.067 347 C HA -0.149 4.310 4.460 -0.001 0.000 0.408 347 C C 2.167 177.015 174.990 -0.237 0.000 1.539 347 C CA -0.095 58.778 59.018 -0.241 0.000 1.434 347 C CB -1.962 25.677 27.740 -0.170 0.000 2.621 347 C HN 0.852 nan 8.230 nan 0.000 0.610 348 L N 6.053 127.151 121.223 -0.208 0.000 2.191 348 L HA 0.157 4.497 4.340 -0.001 0.000 0.212 348 L C 2.147 178.764 176.870 -0.422 0.000 1.103 348 L CA 2.399 57.014 54.840 -0.374 0.000 0.769 348 L CB -0.514 41.194 42.059 -0.586 0.000 0.908 348 L HN 0.872 nan 8.230 nan 0.000 0.438 349 G N -2.158 106.490 108.800 -0.254 0.000 3.371 349 G HA2 0.266 4.226 3.960 -0.001 0.000 0.248 349 G HA3 0.266 4.226 3.960 -0.001 0.000 0.248 349 G C 1.386 176.236 174.900 -0.084 0.000 1.161 349 G CA 0.386 45.479 45.100 -0.012 0.000 0.796 349 G HN 0.508 nan 8.290 nan 0.000 0.539 350 A N 1.113 123.732 122.820 -0.334 0.000 1.908 350 A HA 0.170 4.489 4.320 -0.001 0.000 0.218 350 A C 2.740 180.120 177.584 -0.340 0.000 1.181 350 A CA 2.171 53.743 52.037 -0.775 0.000 0.627 350 A CB -0.549 17.772 19.000 -1.131 0.000 0.818 350 A HN 0.698 nan 8.150 nan 0.000 0.445 351 A N -0.667 122.080 122.820 -0.121 0.000 1.898 351 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 351 A C 2.113 179.728 177.584 0.051 0.000 1.181 351 A CA 1.693 53.728 52.037 -0.003 0.000 0.620 351 A CB -0.593 18.429 19.000 0.036 0.000 0.819 351 A HN 0.662 nan 8.150 nan 0.000 0.442 352 L N -0.075 121.196 121.223 0.080 0.000 2.017 352 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 352 L C 2.676 179.610 176.870 0.107 0.000 1.073 352 L CA 2.233 57.134 54.840 0.101 0.000 0.745 352 L CB -0.966 41.180 42.059 0.145 0.000 0.894 352 L HN 0.354 nan 8.230 nan 0.000 0.432 353 A N -0.368 122.527 122.820 0.126 0.000 1.883 353 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 353 A C 2.422 180.131 177.584 0.209 0.000 1.186 353 A CA 1.975 54.129 52.037 0.196 0.000 0.624 353 A CB -0.574 18.641 19.000 0.358 0.000 0.822 353 A HN 0.518 nan 8.150 nan 0.000 0.444 354 R N -1.228 119.403 120.500 0.218 0.000 2.081 354 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 354 R C 2.151 178.550 176.300 0.166 0.000 1.131 354 R CA 1.452 57.692 56.100 0.234 0.000 0.960 354 R CB -0.572 29.863 30.300 0.225 0.000 0.856 354 R HN 0.507 nan 8.270 nan 0.000 0.436 355 L N 1.404 122.700 121.223 0.121 0.000 2.056 355 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 355 L C 2.189 179.097 176.870 0.063 0.000 1.078 355 L CA 1.854 56.750 54.840 0.094 0.000 0.749 355 L CB -0.498 41.607 42.059 0.077 0.000 0.901 355 L HN 0.152 nan 8.230 nan 0.000 0.433 356 E N -0.593 119.638 120.200 0.052 0.000 2.077 356 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 356 E C 2.208 178.761 176.600 -0.078 0.000 0.989 356 E CA 1.543 57.945 56.400 0.004 0.000 0.800 356 E CB -0.201 29.512 29.700 0.022 0.000 0.746 356 E HN 0.607 nan 8.360 nan 0.000 0.452 357 L N 0.233 121.419 121.223 -0.062 0.000 2.109 357 L HA -0.104 4.236 4.340 -0.001 0.000 0.207 357 L C 2.913 179.628 176.870 -0.258 0.000 1.086 357 L CA 1.103 55.786 54.840 -0.260 0.000 0.760 357 L CB -0.375 41.668 42.059 -0.026 0.000 0.910 357 L HN 0.138 nan 8.230 nan 0.000 0.437 358 R N -0.278 120.262 120.500 0.068 0.000 2.096 358 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 358 R C 2.161 178.520 176.300 0.099 0.000 1.127 358 R CA 1.931 58.166 56.100 0.224 0.000 0.968 358 R CB -0.196 30.257 30.300 0.255 0.000 0.861 358 R HN 0.231 nan 8.270 nan 0.000 0.440 359 T N 0.316 114.878 114.554 0.012 0.000 2.737 359 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 359 T C 1.832 176.483 174.700 -0.082 0.000 1.038 359 T CA 1.424 63.519 62.100 -0.009 0.000 1.144 359 T CB -0.146 68.715 68.868 -0.011 0.000 0.866 359 T HN 0.032 nan 8.240 nan 0.000 0.434 360 V N 0.888 120.673 119.914 -0.216 0.000 2.295 360 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 360 V C 2.103 178.058 176.094 -0.231 0.000 1.049 360 V CA 1.767 63.894 62.300 -0.287 0.000 1.024 360 V CB -0.805 30.727 31.823 -0.485 0.000 0.648 360 V HN 0.514 nan 8.190 nan 0.000 0.447 361 F N -0.033 119.821 119.950 -0.161 0.000 2.186 361 F HA -0.154 4.372 4.527 -0.001 0.000 0.299 361 F C 2.620 178.339 175.800 -0.136 0.000 1.090 361 F CA 1.342 59.162 58.000 -0.301 0.000 1.307 361 F CB -0.693 37.749 39.000 -0.930 0.000 1.019 361 F HN 0.096 nan 8.300 nan 0.000 0.489 362 T N -0.556 114.076 114.554 0.130 0.000 2.737 362 T HA -0.141 4.208 4.350 -0.001 0.000 0.265 362 T C 1.791 176.579 174.700 0.147 0.000 1.038 362 T CA 1.273 63.517 62.100 0.240 0.000 1.144 362 T CB -0.188 68.821 68.868 0.236 0.000 0.866 362 T HN 0.121 nan 8.240 nan 0.000 0.434 363 E N 0.981 121.208 120.200 0.045 0.000 2.106 363 E HA -0.042 4.307 4.350 -0.001 0.000 0.192 363 E C 2.215 178.760 176.600 -0.091 0.000 0.984 363 E CA 0.532 56.913 56.400 -0.032 0.000 0.806 363 E CB -0.563 29.096 29.700 -0.067 0.000 0.750 363 E HN 0.327 nan 8.360 nan 0.000 0.458 364 L N -0.071 121.099 121.223 -0.089 0.000 2.017 364 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 364 L C 2.037 178.780 176.870 -0.212 0.000 1.073 364 L CA 1.635 56.361 54.840 -0.191 0.000 0.745 364 L CB -0.466 41.399 42.059 -0.323 0.000 0.894 364 L HN 0.160 nan 8.230 nan 0.000 0.432 365 W N -0.039 121.281 121.300 0.032 0.000 2.800 365 W HA 0.011 4.671 4.660 -0.001 0.000 0.249 365 W C 2.669 179.195 176.519 0.011 0.000 1.294 365 W CA 0.844 58.223 57.345 0.057 0.000 1.402 365 W CB -0.196 29.320 29.460 0.093 0.000 1.126 365 W HN 0.317 nan 8.180 nan 0.000 0.652 366 R N 0.815 121.384 120.500 0.115 0.000 2.093 366 R HA -0.118 4.222 4.340 -0.001 0.000 0.224 366 R C 2.262 178.494 176.300 -0.113 0.000 1.101 366 R CA 1.306 57.424 56.100 0.030 0.000 0.979 366 R CB -0.143 30.162 30.300 0.008 0.000 0.877 366 R HN -0.130 nan 8.270 nan 0.000 0.441 367 R N -0.554 119.764 120.500 -0.304 0.000 2.100 367 R HA 0.027 4.367 4.340 -0.001 0.000 0.220 367 R C -0.218 175.606 176.300 -0.793 0.000 1.091 367 R CA 1.212 56.913 56.100 -0.665 0.000 0.986 367 R CB 0.254 29.895 30.300 -1.098 0.000 0.888 367 R HN 0.143 nan 8.270 nan 0.000 0.444 368 F N 0.125 119.962 119.950 -0.188 0.000 2.531 368 F HA 0.405 4.932 4.527 -0.001 0.000 0.333 368 F C -1.837 173.971 175.800 0.013 0.000 1.292 368 F CA -2.354 55.541 58.000 -0.176 0.000 1.184 368 F CB 1.933 40.685 39.000 -0.413 0.000 1.426 368 F HN -0.048 nan 8.300 nan 0.000 0.559 369 P HA -0.192 nan 4.420 nan 0.000 0.218 369 P C 1.254 178.750 177.300 0.326 0.000 1.148 369 P CA 1.158 64.437 63.100 0.298 0.000 0.822 369 P CB 0.304 32.117 31.700 0.189 0.000 0.784 370 A N -1.459 121.537 122.820 0.293 0.000 2.415 370 A HA 0.180 4.499 4.320 -0.001 0.000 0.248 370 A C 0.571 178.321 177.584 0.276 0.000 1.299 370 A CA -0.453 51.739 52.037 0.257 0.000 0.899 370 A CB -1.159 17.962 19.000 0.202 0.000 0.997 370 A HN 0.108 nan 8.150 nan 0.000 0.506 371 L N 1.664 123.072 121.223 0.309 0.000 2.593 371 L HA 0.159 4.499 4.340 -0.001 0.000 0.287 371 L C 0.632 177.639 176.870 0.229 0.000 1.243 371 L CA 1.147 56.122 54.840 0.226 0.000 0.890 371 L CB 0.122 42.206 42.059 0.041 0.000 1.134 371 L HN 0.660 nan 8.230 nan 0.000 0.502 372 R N 3.352 123.945 120.500 0.155 0.000 2.728 372 R HA 0.509 4.849 4.340 -0.001 0.000 0.274 372 R C -1.505 174.839 176.300 0.073 0.000 1.030 372 R CA -1.210 54.963 56.100 0.121 0.000 0.876 372 R CB 0.477 30.835 30.300 0.097 0.000 1.259 372 R HN 0.463 nan 8.270 nan 0.000 0.468 373 L N 1.554 122.809 121.223 0.053 0.000 2.485 373 L HA 0.144 4.484 4.340 -0.001 0.000 0.275 373 L C 1.701 178.574 176.870 0.006 0.000 1.207 373 L CA 0.348 55.202 54.840 0.024 0.000 0.855 373 L CB 0.965 43.032 42.059 0.013 0.000 1.114 373 L HN 1.037 nan 8.230 nan 0.000 0.485 374 A N 2.053 124.866 122.820 -0.011 0.000 1.933 374 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 374 A C 0.677 178.242 177.584 -0.031 0.000 1.175 374 A CA 1.546 53.562 52.037 -0.034 0.000 0.628 374 A CB -0.208 18.765 19.000 -0.044 0.000 0.814 374 A HN 0.799 nan 8.150 nan 0.000 0.444 375 D N -2.972 117.415 120.400 -0.022 0.000 2.686 375 D HA 0.408 5.048 4.640 -0.001 0.000 0.249 375 D C -2.424 173.869 176.300 -0.012 0.000 1.260 375 D CA -2.070 51.919 54.000 -0.019 0.000 0.910 375 D CB 1.630 42.417 40.800 -0.021 0.000 1.323 375 D HN -0.172 nan 8.370 nan 0.000 0.561 376 P HA -0.078 nan 4.420 nan 0.000 0.217 376 P C 0.680 177.977 177.300 -0.004 0.000 1.148 376 P CA 1.259 64.357 63.100 -0.003 0.000 0.834 376 P CB 0.300 31.999 31.700 -0.002 0.000 0.783 377 A N -0.832 121.984 122.820 -0.006 0.000 2.307 377 A HA 0.023 4.342 4.320 -0.001 0.000 0.218 377 A C 1.020 178.599 177.584 -0.007 0.000 1.228 377 A CA -0.267 51.767 52.037 -0.004 0.000 0.857 377 A CB -1.035 17.963 19.000 -0.003 0.000 0.897 377 A HN 0.312 nan 8.150 nan 0.000 0.495 378 Q N 0.575 120.366 119.800 -0.014 0.000 2.421 378 Q HA 0.178 4.517 4.340 -0.001 0.000 0.255 378 Q C -1.190 174.795 176.000 -0.025 0.000 1.013 378 Q CA -0.451 55.339 55.803 -0.020 0.000 0.895 378 Q CB 0.587 29.308 28.738 -0.027 0.000 1.271 378 Q HN 0.290 nan 8.270 nan 0.000 0.460 379 D N 1.895 122.278 120.400 -0.027 0.000 2.360 379 D HA 0.135 4.774 4.640 -0.001 0.000 0.242 379 D C -0.498 175.754 176.300 -0.080 0.000 1.184 379 D CA 0.116 54.097 54.000 -0.030 0.000 0.930 379 D CB 0.966 41.756 40.800 -0.016 0.000 1.161 379 D HN 0.507 nan 8.370 nan 0.000 0.447 380 T N 1.865 116.347 114.554 -0.120 0.000 2.767 380 T HA 0.187 4.537 4.350 -0.001 0.000 0.284 380 T C 0.037 174.515 174.700 -0.368 0.000 0.973 380 T CA -0.724 61.187 62.100 -0.314 0.000 0.996 380 T CB 0.913 69.510 68.868 -0.451 0.000 0.927 380 T HN 0.098 nan 8.240 nan 0.000 0.456 381 E N 3.593 123.578 120.200 -0.359 0.000 1.998 381 E HA 0.222 4.572 4.350 -0.001 0.000 0.257 381 E C -0.507 175.942 176.600 -0.251 0.000 1.038 381 E CA -0.231 56.040 56.400 -0.215 0.000 0.869 381 E CB 0.171 29.798 29.700 -0.121 0.000 1.135 381 E HN 0.538 nan 8.360 nan 0.000 0.430 382 F N 1.043 120.981 119.950 -0.021 0.000 2.418 382 F HA 0.210 4.737 4.527 -0.001 0.000 0.341 382 F C 1.531 177.322 175.800 -0.015 0.000 1.120 382 F CA -0.454 57.509 58.000 -0.063 0.000 1.232 382 F CB 0.933 39.943 39.000 0.015 0.000 1.175 382 F HN 0.048 nan 8.300 nan 0.000 0.569 383 R N 3.925 124.527 120.500 0.171 0.000 2.235 383 R HA 0.323 4.663 4.340 -0.001 0.000 0.338 383 R C -0.195 176.242 176.300 0.228 0.000 1.087 383 R CA -0.114 56.065 56.100 0.133 0.000 0.948 383 R CB 0.043 30.382 30.300 0.065 0.000 1.099 383 R HN 0.829 nan 8.270 nan 0.000 0.483 384 L N 2.969 124.312 121.223 0.199 0.000 2.640 384 L HA 0.123 4.463 4.340 -0.001 0.000 0.230 384 L C 1.501 178.438 176.870 0.110 0.000 1.123 384 L CA 0.128 55.086 54.840 0.198 0.000 0.900 384 L CB 0.658 42.804 42.059 0.146 0.000 1.146 384 L HN 0.616 nan 8.230 nan 0.000 0.484 385 T N -4.382 110.226 114.554 0.089 0.000 3.069 385 T HA 0.104 4.454 4.350 -0.001 0.000 0.252 385 T C 0.752 175.476 174.700 0.041 0.000 1.053 385 T CA -0.004 62.119 62.100 0.040 0.000 0.964 385 T CB -0.202 68.676 68.868 0.017 0.000 1.005 385 T HN 0.189 nan 8.240 nan 0.000 0.532 386 T N -0.685 113.927 114.554 0.096 0.000 2.918 386 T HA 0.546 4.895 4.350 -0.001 0.000 0.286 386 T C -2.310 172.500 174.700 0.183 0.000 1.026 386 T CA -1.901 60.254 62.100 0.092 0.000 1.031 386 T CB 1.706 70.623 68.868 0.082 0.000 1.046 386 T HN -0.281 nan 8.240 nan 0.000 0.479 387 P HA 0.151 nan 4.420 nan 0.000 0.225 387 P C 0.008 177.450 177.300 0.236 0.000 1.148 387 P CA 0.606 63.828 63.100 0.203 0.000 0.779 387 P CB 0.042 31.781 31.700 0.065 0.000 0.780 388 A N -1.270 121.627 122.820 0.128 0.000 2.331 388 A HA 0.424 4.744 4.320 -0.001 0.000 0.320 388 A C -0.907 176.712 177.584 0.058 0.000 1.138 388 A CA -0.574 51.464 52.037 0.001 0.000 0.790 388 A CB 0.284 19.297 19.000 0.021 0.000 1.206 388 A HN -0.084 nan 8.150 nan 0.000 0.470 389 Y N 1.524 121.661 120.300 -0.272 0.000 2.457 389 Y HA 0.443 4.992 4.550 -0.001 0.000 0.341 389 Y C 0.860 176.769 175.900 0.015 0.000 1.240 389 Y CA 0.926 58.964 58.100 -0.105 0.000 1.437 389 Y CB 0.747 39.077 38.460 -0.218 0.000 1.328 389 Y HN 1.081 nan 8.280 nan 0.000 0.588 390 G N 2.969 111.660 108.800 -0.182 0.000 2.428 390 G HA2 0.403 4.363 3.960 -0.001 0.000 0.305 390 G HA3 0.403 4.363 3.960 -0.001 0.000 0.305 390 G C -2.240 172.576 174.900 -0.141 0.000 1.260 390 G CA -0.986 44.036 45.100 -0.131 0.000 0.853 390 G HN 0.640 nan 8.290 nan 0.000 0.480 391 L N 0.562 121.735 121.223 -0.083 0.000 2.354 391 L HA 0.479 4.818 4.340 -0.001 0.000 0.269 391 L C 1.673 178.508 176.870 -0.058 0.000 1.005 391 L CA -0.339 54.435 54.840 -0.109 0.000 0.819 391 L CB 2.445 44.421 42.059 -0.138 0.000 1.311 391 L HN 0.888 nan 8.230 nan 0.000 0.423 392 T N -2.632 111.888 114.554 -0.056 0.000 3.051 392 T HA 0.115 4.465 4.350 -0.001 0.000 0.255 392 T C 0.367 175.043 174.700 -0.039 0.000 1.085 392 T CA 0.213 62.294 62.100 -0.031 0.000 1.109 392 T CB 0.432 69.291 68.868 -0.016 0.000 0.921 392 T HN 0.630 nan 8.240 nan 0.000 0.488 393 E N -0.496 119.670 120.200 -0.057 0.000 2.390 393 E HA 0.520 4.869 4.350 -0.001 0.000 0.280 393 E C -2.452 174.113 176.600 -0.059 0.000 0.992 393 E CA -0.983 55.391 56.400 -0.043 0.000 0.790 393 E CB 2.137 31.815 29.700 -0.036 0.000 1.248 393 E HN 0.142 nan 8.360 nan 0.000 0.447 394 L N 4.044 125.249 121.223 -0.031 0.000 2.617 394 L HA 0.362 4.702 4.340 -0.001 0.000 0.259 394 L C -1.623 175.244 176.870 -0.006 0.000 0.995 394 L CA -0.340 54.478 54.840 -0.036 0.000 0.899 394 L CB 1.421 43.459 42.059 -0.035 0.000 1.181 394 L HN 0.589 nan 8.230 nan 0.000 0.437 395 M N 5.370 124.964 119.600 -0.010 0.000 2.184 395 M HA 0.475 4.954 4.480 -0.001 0.000 0.351 395 M C -0.121 176.181 176.300 0.003 0.000 1.395 395 M CA -0.168 55.135 55.300 0.005 0.000 1.117 395 M CB 0.865 33.460 32.600 -0.008 0.000 1.708 395 M HN 0.408 nan 8.290 nan 0.000 0.468 396 V N 0.891 120.819 119.914 0.023 0.000 2.914 396 V HA 1.059 5.178 4.120 -0.001 0.000 0.314 396 V C -0.424 175.698 176.094 0.047 0.000 1.084 396 V CA -1.046 61.276 62.300 0.037 0.000 0.963 396 V CB 1.616 33.455 31.823 0.028 0.000 1.025 396 V HN 0.913 nan 8.190 nan 0.000 0.432 397 A N 2.553 125.391 122.820 0.030 0.000 2.386 397 A HA 1.097 5.417 4.320 -0.001 0.000 0.308 397 A C -0.971 176.668 177.584 0.092 0.000 1.128 397 A CA -0.407 51.566 52.037 -0.106 0.000 0.789 397 A CB 1.644 20.560 19.000 -0.141 0.000 1.325 397 A HN 2.058 nan 8.150 nan 0.000 0.437 398 W N 0.000 121.235 121.300 -0.108 0.000 2.388 398 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 398 W CA 0.000 57.319 57.345 -0.044 0.000 1.226 398 W CB 0.000 29.411 29.460 -0.082 0.000 1.126 398 W HN 0.000 nan 8.180 nan 0.000 0.535