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 1tb6_1_I DATA FIRST_RESID 4 DATA SEQUENCE PVDIcTAKPR DIPMNPMcIY RSPXXXXXXX XXXEQKIPEA TNRRVWELSK DATA SEQUENCE ANSRFATTFY QHLADSKNDN DNIFLSPLSI STAFAMTKLG AcNDTLQQLM DATA SEQUENCE EVFKFDTISE KTSDQIHFFF AKLNcRLYRK ANKASKLVSA NRLFGDKSLT DATA SEQUENCE FNETYQDISE LVYGAKLQPL DFKENAEQSR AAINKWVSNK TEGRITDVIP DATA SEQUENCE SEAINELTVL VLVNTIYFKG LWKSKFSPEN TRKELFYKAD GEScSASMMY DATA SEQUENCE QEGKFRYRRV AEGTQVLELP FKGDDITMVL ILPKPEKSLA KVEKELTPEV DATA SEQUENCE LQEWLDELEE MMLcVHMPRF RIEDGFSLKE QLQDMGLVDL FSPEKSKLPG DATA SEQUENCE IVAEGRDDLY VSDAFHKAFL EVNEEGXXXX XXTAVVIAGR SLNPNRVcFK DATA SEQUENCE ANRPFLVFIR EVPLNTIIFM GRVANPcV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.297 177.300 -0.005 0.000 1.155 4 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 4 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 5 V N 1.416 121.327 119.914 -0.005 0.000 2.311 5 V HA 0.246 4.364 4.120 -0.003 0.000 0.275 5 V C -0.006 176.091 176.094 0.004 0.000 1.022 5 V CA -0.237 62.062 62.300 -0.001 0.000 0.830 5 V CB 1.225 33.046 31.823 -0.004 0.000 1.012 5 V HN 0.651 nan 8.190 nan 0.000 0.452 6 D N 5.502 125.908 120.400 0.009 0.000 2.411 6 D HA 0.135 4.773 4.640 -0.003 0.000 0.225 6 D C 1.360 177.678 176.300 0.029 0.000 1.156 6 D CA -0.488 53.519 54.000 0.011 0.000 0.874 6 D CB 1.152 41.958 40.800 0.010 0.000 1.034 6 D HN 0.460 nan 8.370 nan 0.000 0.502 7 I N 1.059 121.647 120.570 0.029 0.000 2.567 7 I HA -0.200 3.968 4.170 -0.003 0.000 0.257 7 I C 1.764 177.893 176.117 0.019 0.000 1.184 7 I CA 0.601 61.936 61.300 0.059 0.000 1.451 7 I CB -1.873 36.149 38.000 0.036 0.000 1.089 7 I HN 0.314 nan 8.210 nan 0.000 0.441 8 c N 1.518 120.116 118.600 -0.003 0.000 2.500 8 c HA 0.028 4.596 4.570 -0.003 0.000 0.273 8 c C 2.714 176.809 174.090 0.009 0.000 1.428 8 c CA 1.268 57.588 56.329 -0.015 0.000 1.766 8 c CB -1.419 41.087 42.510 -0.006 0.000 1.817 8 c HN 0.784 nan 8.230 nan 0.000 0.543 9 T N -2.523 112.050 114.554 0.031 0.000 2.964 9 T HA 0.397 4.745 4.350 -0.003 0.000 0.250 9 T C 0.759 175.498 174.700 0.064 0.000 0.982 9 T CA 0.677 62.801 62.100 0.040 0.000 0.959 9 T CB -0.159 68.726 68.868 0.028 0.000 1.141 9 T HN 0.314 nan 8.240 nan 0.000 0.494 10 A N 1.723 124.591 122.820 0.081 0.000 2.448 10 A HA 0.547 4.865 4.320 -0.003 0.000 0.239 10 A C 0.112 177.786 177.584 0.150 0.000 1.080 10 A CA -0.161 51.928 52.037 0.086 0.000 0.779 10 A CB 0.193 19.237 19.000 0.074 0.000 1.026 10 A HN 0.531 nan 8.150 nan 0.000 0.499 11 K N 1.435 121.863 120.400 0.046 0.000 2.208 11 K HA 0.378 4.695 4.320 -0.003 0.000 0.247 11 K C -2.008 174.421 176.600 -0.287 0.000 0.953 11 K CA -1.968 54.324 56.287 0.008 0.000 0.837 11 K CB 1.593 34.101 32.500 0.014 0.000 1.131 11 K HN 0.272 nan 8.250 nan 0.000 0.431 12 P HA -0.318 nan 4.420 nan 0.000 0.222 12 P C 0.730 177.767 177.300 -0.439 0.000 1.157 12 P CA 1.908 64.540 63.100 -0.781 0.000 0.905 12 P CB 0.095 31.521 31.700 -0.457 0.000 0.792 13 R N -1.044 119.311 120.500 -0.241 0.000 2.090 13 R HA -0.081 4.257 4.340 -0.003 0.000 0.228 13 R C 1.641 177.858 176.300 -0.139 0.000 1.110 13 R CA 1.572 57.579 56.100 -0.156 0.000 0.973 13 R CB -1.499 28.746 30.300 -0.091 0.000 0.869 13 R HN 0.087 nan 8.270 nan 0.000 0.440 14 D N 1.709 122.028 120.400 -0.134 0.000 2.218 14 D HA -0.146 4.492 4.640 -0.003 0.000 0.194 14 D C 0.738 176.978 176.300 -0.100 0.000 1.007 14 D CA 1.825 55.768 54.000 -0.095 0.000 0.879 14 D CB -0.024 40.730 40.800 -0.077 0.000 0.918 14 D HN 0.413 nan 8.370 nan 0.000 0.449 15 I N -3.310 117.172 120.570 -0.147 0.000 2.548 15 I HA 0.334 4.502 4.170 -0.003 0.000 0.287 15 I C -3.047 172.981 176.117 -0.148 0.000 1.103 15 I CA -2.542 58.685 61.300 -0.122 0.000 1.049 15 I CB 1.620 39.561 38.000 -0.098 0.000 1.232 15 I HN -0.290 nan 8.210 nan 0.000 0.429 16 P HA 0.317 nan 4.420 nan 0.000 0.271 16 P C -0.303 176.960 177.300 -0.063 0.000 1.233 16 P CA -0.128 62.920 63.100 -0.086 0.000 0.764 16 P CB 0.931 32.598 31.700 -0.055 0.000 0.825 17 M N 0.255 119.824 119.600 -0.051 0.000 4.590 17 M HA 0.313 4.791 4.480 -0.003 0.000 0.545 17 M C -1.281 175.084 176.300 0.109 0.000 2.120 17 M CA -0.633 54.681 55.300 0.024 0.000 0.513 17 M CB -0.293 32.341 32.600 0.057 0.000 1.450 17 M HN -0.117 nan 8.290 nan 0.000 0.599 18 N N 3.604 122.335 118.700 0.051 0.000 2.482 18 N HA 0.482 5.220 4.740 -0.003 0.000 0.260 18 N C -2.278 173.268 175.510 0.059 0.000 1.236 18 N CA -0.436 52.661 53.050 0.078 0.000 0.938 18 N CB 0.549 39.059 38.487 0.039 0.000 1.128 18 N HN 0.364 nan 8.380 nan 0.000 0.448 19 P HA 0.027 nan 4.420 nan 0.000 0.275 19 P C 0.328 177.649 177.300 0.035 0.000 1.266 19 P CA -0.353 62.761 63.100 0.023 0.000 0.793 19 P CB 0.778 32.505 31.700 0.046 0.000 1.074 20 M N -0.409 119.211 119.600 0.033 0.000 2.319 20 M HA 0.020 4.498 4.480 -0.003 0.000 0.265 20 M C -0.304 176.019 176.300 0.039 0.000 1.068 20 M CA 1.469 56.788 55.300 0.033 0.000 1.118 20 M CB 0.038 32.655 32.600 0.029 0.000 1.395 20 M HN 0.214 nan 8.290 nan 0.000 0.435 21 c N 0.471 119.101 118.600 0.050 0.000 2.898 21 c HA 0.672 5.240 4.570 -0.003 0.000 0.304 21 c C -0.146 173.997 174.090 0.088 0.000 1.237 21 c CA -1.421 54.946 56.329 0.064 0.000 1.529 21 c CB 1.780 44.330 42.510 0.066 0.000 2.021 21 c HN 0.545 nan 8.230 nan 0.000 0.474 22 I N -0.252 120.379 120.570 0.102 0.000 3.108 22 I HA 0.788 4.956 4.170 -0.003 0.000 0.312 22 I C -1.482 174.749 176.117 0.191 0.000 1.095 22 I CA -0.792 60.587 61.300 0.131 0.000 1.000 22 I CB 1.980 40.036 38.000 0.093 0.000 1.229 22 I HN 0.723 nan 8.210 nan 0.000 0.454 23 Y N 1.750 122.084 120.300 0.057 0.000 2.545 23 Y HA 0.714 5.262 4.550 -0.003 0.000 0.348 23 Y C -1.242 174.689 175.900 0.051 0.000 1.002 23 Y CA -0.834 57.300 58.100 0.057 0.000 1.039 23 Y CB 1.776 40.281 38.460 0.075 0.000 1.271 23 Y HN 0.526 nan 8.280 nan 0.000 0.467 24 R N 3.107 123.091 120.500 -0.860 0.000 2.515 24 R HA 0.319 4.657 4.340 -0.003 0.000 0.291 24 R C -1.376 174.440 176.300 -0.806 0.000 1.046 24 R CA -0.698 55.056 56.100 -0.577 0.000 0.914 24 R CB 1.694 31.828 30.300 -0.277 0.000 1.191 24 R HN 0.821 nan 8.270 nan 0.000 0.435 25 S N 2.371 117.834 115.700 -0.395 0.000 2.541 25 S HA 0.669 5.137 4.470 -0.003 0.000 0.283 25 S C -1.537 173.013 174.600 -0.084 0.000 1.196 25 S CA -0.910 57.195 58.200 -0.158 0.000 1.062 25 S CB 0.869 64.135 63.200 0.111 0.000 1.009 25 S HN 0.321 nan 8.310 nan 0.000 0.502 38 Q N 0.685 120.565 119.800 0.134 0.000 2.301 38 Q HA 0.766 5.104 4.340 -0.003 0.000 0.267 38 Q C 0.020 176.190 176.000 0.282 0.000 1.035 38 Q CA -0.285 55.640 55.803 0.203 0.000 0.856 38 Q CB 1.450 30.348 28.738 0.268 0.000 1.337 38 Q HN 0.784 nan 8.270 nan 0.000 0.450 39 K N 1.264 121.758 120.400 0.156 0.000 2.144 39 K HA 0.537 4.855 4.320 -0.003 0.000 0.270 39 K C -0.346 176.114 176.600 -0.232 0.000 1.005 39 K CA -0.421 55.884 56.287 0.029 0.000 0.932 39 K CB 0.893 33.378 32.500 -0.026 0.000 1.021 39 K HN 0.798 nan 8.250 nan 0.000 0.462 40 I N 5.218 125.492 120.570 -0.495 0.000 2.588 40 I HA 0.145 4.313 4.170 -0.003 0.000 0.283 40 I C -2.091 173.575 176.117 -0.752 0.000 1.119 40 I CA -2.020 58.537 61.300 -1.238 0.000 1.419 40 I CB 1.048 38.575 38.000 -0.788 0.000 1.394 40 I HN 0.590 nan 8.210 nan 0.000 0.562 41 P HA 0.047 nan 4.420 nan 0.000 0.270 41 P C -0.914 176.210 177.300 -0.294 0.000 1.223 41 P CA -0.197 62.643 63.100 -0.433 0.000 0.785 41 P CB 0.392 31.856 31.700 -0.394 0.000 0.923 42 E N 1.199 121.294 120.200 -0.176 0.000 2.404 42 E HA 0.196 4.544 4.350 -0.003 0.000 0.261 42 E C 0.515 177.057 176.600 -0.097 0.000 1.074 42 E CA 0.241 56.571 56.400 -0.117 0.000 0.917 42 E CB -0.033 29.623 29.700 -0.074 0.000 0.965 42 E HN 0.581 nan 8.360 nan 0.000 0.433 43 A N 2.136 124.914 122.820 -0.069 0.000 2.511 43 A HA -0.191 4.127 4.320 -0.003 0.000 0.297 43 A C -0.070 177.484 177.584 -0.049 0.000 1.476 43 A CA 1.464 53.475 52.037 -0.045 0.000 0.757 43 A CB -1.787 17.198 19.000 -0.025 0.000 1.072 43 A HN 0.363 nan 8.150 nan 0.000 0.413 44 T N 1.002 115.512 114.554 -0.073 0.000 2.952 44 T HA 0.411 4.759 4.350 -0.003 0.000 0.305 44 T C -0.239 174.441 174.700 -0.035 0.000 1.064 44 T CA -0.624 61.437 62.100 -0.065 0.000 1.008 44 T CB 1.196 69.979 68.868 -0.141 0.000 1.078 44 T HN 0.573 nan 8.240 nan 0.000 0.459 45 N N 2.217 120.925 118.700 0.014 0.000 2.470 45 N HA 0.037 4.775 4.740 -0.003 0.000 0.268 45 N C 1.593 177.139 175.510 0.060 0.000 1.136 45 N CA -0.426 52.649 53.050 0.042 0.000 0.961 45 N CB 0.901 39.434 38.487 0.077 0.000 1.067 45 N HN 0.710 nan 8.380 nan 0.000 0.468 46 R N 3.934 124.473 120.500 0.065 0.000 2.139 46 R HA -0.127 4.211 4.340 -0.003 0.000 0.243 46 R C 1.168 177.510 176.300 0.070 0.000 1.145 46 R CA 1.102 57.289 56.100 0.145 0.000 0.976 46 R CB -0.136 30.233 30.300 0.115 0.000 0.866 46 R HN 0.537 nan 8.270 nan 0.000 0.449 47 R N 0.683 121.118 120.500 -0.108 0.000 2.093 47 R HA 0.034 4.372 4.340 -0.003 0.000 0.224 47 R C 2.335 178.451 176.300 -0.307 0.000 1.101 47 R CA 1.100 56.981 56.100 -0.365 0.000 0.979 47 R CB -0.177 29.597 30.300 -0.878 0.000 0.877 47 R HN 0.038 nan 8.270 nan 0.000 0.441 48 V N -0.111 119.725 119.914 -0.130 0.000 2.515 48 V HA -0.215 3.903 4.120 -0.003 0.000 0.250 48 V C 1.743 177.859 176.094 0.036 0.000 1.058 48 V CA 1.361 63.632 62.300 -0.047 0.000 1.064 48 V CB -0.399 31.445 31.823 0.035 0.000 0.675 48 V HN 0.468 nan 8.190 nan 0.000 0.461 49 W N 1.710 122.939 121.300 -0.117 0.000 2.409 49 W HA -0.143 4.515 4.660 -0.004 0.000 0.299 49 W C 2.523 178.989 176.519 -0.088 0.000 1.203 49 W CA 1.610 58.906 57.345 -0.082 0.000 1.298 49 W CB -0.264 29.161 29.460 -0.059 0.000 1.127 49 W HN 0.547 nan 8.180 nan 0.000 0.528 50 E N -0.288 119.799 120.200 -0.189 0.000 2.268 50 E HA -0.207 4.141 4.350 -0.003 0.000 0.195 50 E C 1.966 178.413 176.600 -0.254 0.000 0.995 50 E CA 1.225 57.416 56.400 -0.348 0.000 0.836 50 E CB -0.776 28.772 29.700 -0.253 0.000 0.763 50 E HN 0.324 nan 8.360 nan 0.000 0.491 51 L N 1.114 122.203 121.223 -0.223 0.000 2.095 51 L HA -0.026 4.312 4.340 -0.003 0.000 0.204 51 L C 2.539 179.322 176.870 -0.145 0.000 1.080 51 L CA 1.715 56.409 54.840 -0.242 0.000 0.759 51 L CB -0.522 41.294 42.059 -0.405 0.000 0.914 51 L HN 0.180 nan 8.230 nan 0.000 0.439 52 S N -0.976 114.664 115.700 -0.099 0.000 2.419 52 S HA -0.200 4.268 4.470 -0.003 0.000 0.233 52 S C 2.012 176.595 174.600 -0.028 0.000 1.016 52 S CA 1.400 59.596 58.200 -0.007 0.000 0.974 52 S CB -0.146 63.105 63.200 0.084 0.000 0.786 52 S HN 0.452 nan 8.310 nan 0.000 0.492 53 K N 0.538 120.846 120.400 -0.154 0.000 2.228 53 K HA 0.222 4.540 4.320 -0.003 0.000 0.202 53 K C 2.227 178.786 176.600 -0.068 0.000 1.051 53 K CA 0.854 57.037 56.287 -0.173 0.000 0.960 53 K CB -0.212 32.055 32.500 -0.387 0.000 0.743 53 K HN 0.383 nan 8.250 nan 0.000 0.458 54 A N 1.623 124.429 122.820 -0.024 0.000 1.897 54 A HA -0.171 4.147 4.320 -0.003 0.000 0.215 54 A C 1.977 179.665 177.584 0.173 0.000 1.181 54 A CA 1.407 53.491 52.037 0.078 0.000 0.620 54 A CB -0.604 18.483 19.000 0.144 0.000 0.821 54 A HN 0.359 nan 8.150 nan 0.000 0.443 55 N N 0.108 118.930 118.700 0.202 0.000 2.166 55 N HA -0.138 4.600 4.740 -0.003 0.000 0.186 55 N C 1.662 177.328 175.510 0.259 0.000 1.019 55 N CA 1.650 54.882 53.050 0.303 0.000 0.856 55 N CB -0.070 38.589 38.487 0.286 0.000 0.993 55 N HN 0.356 nan 8.380 nan 0.000 0.426 56 S N 0.547 116.329 115.700 0.137 0.000 2.402 56 S HA 0.020 4.488 4.470 -0.003 0.000 0.229 56 S C 1.844 176.485 174.600 0.068 0.000 1.021 56 S CA 0.642 58.889 58.200 0.079 0.000 0.974 56 S CB -0.028 63.181 63.200 0.016 0.000 0.800 56 S HN 0.414 nan 8.310 nan 0.000 0.484 57 R N -0.360 120.188 120.500 0.080 0.000 2.115 57 R HA 0.015 4.353 4.340 -0.003 0.000 0.226 57 R C 2.023 178.384 176.300 0.103 0.000 1.100 57 R CA 1.073 57.210 56.100 0.061 0.000 0.980 57 R CB -0.329 29.999 30.300 0.046 0.000 0.875 57 R HN 0.452 nan 8.270 nan 0.000 0.445 58 F N 1.621 121.587 119.950 0.027 0.000 2.098 58 F HA -0.010 4.514 4.527 -0.004 0.000 0.294 58 F C 2.270 178.127 175.800 0.095 0.000 1.107 58 F CA 1.102 59.113 58.000 0.018 0.000 1.234 58 F CB -0.575 38.439 39.000 0.024 0.000 1.002 58 F HN -0.061 nan 8.300 nan 0.000 0.472 59 A N 0.003 122.774 122.820 -0.082 0.000 1.927 59 A HA -0.246 4.072 4.320 -0.003 0.000 0.220 59 A C 2.194 179.770 177.584 -0.013 0.000 1.185 59 A CA 2.604 54.590 52.037 -0.085 0.000 0.639 59 A CB -1.582 17.477 19.000 0.098 0.000 0.820 59 A HN 0.508 nan 8.150 nan 0.000 0.451 60 T N -0.217 114.336 114.554 -0.002 0.000 2.643 60 T HA -0.136 4.212 4.350 -0.003 0.000 0.264 60 T C 2.048 176.768 174.700 0.034 0.000 1.045 60 T CA 2.088 64.204 62.100 0.026 0.000 1.155 60 T CB -0.694 68.173 68.868 -0.002 0.000 0.863 60 T HN 0.605 nan 8.240 nan 0.000 0.420 61 T N 1.609 116.152 114.554 -0.018 0.000 2.746 61 T HA -0.036 4.312 4.350 -0.003 0.000 0.267 61 T C 1.586 176.298 174.700 0.019 0.000 1.039 61 T CA 0.956 63.064 62.100 0.013 0.000 1.142 61 T CB -0.496 68.371 68.868 -0.002 0.000 0.866 61 T HN 0.309 nan 8.240 nan 0.000 0.444 62 F N 0.688 120.436 119.950 -0.336 0.000 2.113 62 F HA -0.038 4.487 4.527 -0.004 0.000 0.297 62 F C 2.189 177.917 175.800 -0.120 0.000 1.103 62 F CA 0.743 58.523 58.000 -0.366 0.000 1.248 62 F CB -0.505 38.005 39.000 -0.818 0.000 0.999 62 F HN 0.130 nan 8.300 nan 0.000 0.475 63 Y N 0.883 121.158 120.300 -0.043 0.000 2.207 63 Y HA -0.305 4.242 4.550 -0.004 0.000 0.287 63 Y C 2.571 178.398 175.900 -0.121 0.000 1.156 63 Y CA 2.159 60.233 58.100 -0.044 0.000 1.182 63 Y CB -0.639 37.853 38.460 0.053 0.000 0.979 63 Y HN 0.186 nan 8.280 nan 0.000 0.521 64 Q N -0.477 119.352 119.800 0.049 0.000 2.020 64 Q HA -0.212 4.126 4.340 -0.003 0.000 0.202 64 Q C 2.234 178.103 176.000 -0.219 0.000 0.982 64 Q CA 2.276 58.050 55.803 -0.048 0.000 0.838 64 Q CB -0.555 28.163 28.738 -0.033 0.000 0.899 64 Q HN 0.627 nan 8.270 nan 0.000 0.423 65 H N -0.830 118.051 119.070 -0.316 0.000 2.352 65 H HA -0.145 4.409 4.556 -0.003 0.000 0.299 65 H C 1.983 177.050 175.328 -0.435 0.000 1.097 65 H CA 1.545 57.380 56.048 -0.354 0.000 1.311 65 H CB -0.103 29.413 29.762 -0.409 0.000 1.377 65 H HN 0.239 nan 8.280 nan 0.000 0.504 66 L N 1.097 122.027 121.223 -0.489 0.000 2.046 66 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 66 L C 2.566 179.156 176.870 -0.466 0.000 1.077 66 L CA 1.799 56.306 54.840 -0.555 0.000 0.747 66 L CB -0.727 40.916 42.059 -0.693 0.000 0.896 66 L HN 0.159 nan 8.230 nan 0.000 0.432 67 A N -0.970 121.547 122.820 -0.506 0.000 1.898 67 A HA -0.182 4.136 4.320 -0.003 0.000 0.216 67 A C 1.615 179.056 177.584 -0.239 0.000 1.181 67 A CA 1.639 53.442 52.037 -0.390 0.000 0.620 67 A CB -0.831 17.952 19.000 -0.362 0.000 0.819 67 A HN 0.532 nan 8.150 nan 0.000 0.442 68 D N -0.647 119.619 120.400 -0.224 0.000 2.344 68 D HA 0.099 4.737 4.640 -0.003 0.000 0.242 68 D C 1.144 177.349 176.300 -0.159 0.000 1.159 68 D CA 0.850 54.747 54.000 -0.171 0.000 0.859 68 D CB 0.164 40.854 40.800 -0.183 0.000 0.925 68 D HN 0.460 nan 8.370 nan 0.000 0.510 69 S N -1.621 113.973 115.700 -0.176 0.000 2.817 69 S HA 0.190 4.658 4.470 -0.003 0.000 0.262 69 S C 0.421 174.938 174.600 -0.139 0.000 1.051 69 S CA -0.547 57.564 58.200 -0.148 0.000 1.185 69 S CB 0.517 63.618 63.200 -0.166 0.000 1.152 69 S HN -0.087 nan 8.310 nan 0.000 0.653 70 K N 1.076 121.386 120.400 -0.150 0.000 2.346 70 K HA 0.423 4.741 4.320 -0.003 0.000 0.238 70 K C -1.120 175.425 176.600 -0.092 0.000 1.039 70 K CA -1.005 55.207 56.287 -0.126 0.000 0.861 70 K CB 0.673 33.077 32.500 -0.160 0.000 1.278 70 K HN 0.096 nan 8.250 nan 0.000 0.460 71 N N 1.363 120.021 118.700 -0.069 0.000 2.472 71 N HA 0.001 4.739 4.740 -0.003 0.000 0.277 71 N C -0.187 175.295 175.510 -0.045 0.000 1.081 71 N CA 0.170 53.191 53.050 -0.049 0.000 0.973 71 N CB 1.251 39.718 38.487 -0.033 0.000 1.105 71 N HN 0.460 nan 8.380 nan 0.000 0.470 72 D N 1.694 122.072 120.400 -0.036 0.000 2.292 72 D HA -0.150 4.488 4.640 -0.003 0.000 0.205 72 D C 0.530 176.822 176.300 -0.014 0.000 0.994 72 D CA 1.217 55.203 54.000 -0.024 0.000 0.897 72 D CB 0.168 40.961 40.800 -0.013 0.000 0.907 72 D HN 0.540 nan 8.370 nan 0.000 0.467 73 N N 0.726 119.418 118.700 -0.013 0.000 2.268 73 N HA -0.013 4.725 4.740 -0.003 0.000 0.204 73 N C -0.583 174.916 175.510 -0.019 0.000 1.124 73 N CA 0.096 53.144 53.050 -0.004 0.000 0.838 73 N CB 0.635 39.125 38.487 0.006 0.000 0.994 73 N HN 0.164 nan 8.380 nan 0.000 0.489 74 D N 0.688 121.069 120.400 -0.032 0.000 2.175 74 D HA 0.210 4.848 4.640 -0.003 0.000 0.248 74 D C 0.126 176.398 176.300 -0.047 0.000 1.047 74 D CA -0.210 53.768 54.000 -0.038 0.000 0.883 74 D CB 1.163 41.937 40.800 -0.043 0.000 1.180 74 D HN -0.043 nan 8.370 nan 0.000 0.438 75 N N 0.950 119.622 118.700 -0.046 0.000 2.424 75 N HA 0.429 5.167 4.740 -0.003 0.000 0.257 75 N C -0.118 175.396 175.510 0.007 0.000 1.250 75 N CA -0.021 53.000 53.050 -0.048 0.000 0.946 75 N CB 1.328 39.776 38.487 -0.065 0.000 1.175 75 N HN 0.362 nan 8.380 nan 0.000 0.477 76 I N 0.391 120.999 120.570 0.062 0.000 2.722 76 I HA 0.423 4.591 4.170 -0.003 0.000 0.295 76 I C -1.473 174.846 176.117 0.337 0.000 1.161 76 I CA -0.685 60.696 61.300 0.135 0.000 1.032 76 I CB 2.160 40.195 38.000 0.058 0.000 1.244 76 I HN 0.286 nan 8.210 nan 0.000 0.421 77 F N 7.265 127.341 119.950 0.209 0.000 2.639 77 F HA 0.695 5.220 4.527 -0.004 0.000 0.326 77 F C -1.755 174.316 175.800 0.451 0.000 1.150 77 F CA -0.615 57.555 58.000 0.282 0.000 1.057 77 F CB 1.409 40.523 39.000 0.191 0.000 1.300 77 F HN 0.320 nan 8.300 nan 0.000 0.486 78 L N 2.007 123.205 121.223 -0.041 0.000 2.720 78 L HA 0.832 5.170 4.340 -0.003 0.000 0.261 78 L C -1.552 175.410 176.870 0.153 0.000 1.046 78 L CA -0.914 54.116 54.840 0.318 0.000 0.886 78 L CB 1.966 44.370 42.059 0.575 0.000 1.493 78 L HN 0.449 nan 8.230 nan 0.000 0.407 79 S N 0.883 116.767 115.700 0.307 0.000 2.622 79 S HA 0.539 5.007 4.470 -0.003 0.000 0.283 79 S C -1.806 172.772 174.600 -0.038 0.000 1.197 79 S CA -1.354 56.843 58.200 -0.005 0.000 1.146 79 S CB 0.990 64.129 63.200 -0.102 0.000 1.007 79 S HN 0.655 nan 8.310 nan 0.000 0.478 80 P HA -0.126 nan 4.420 nan 0.000 0.218 80 P C 1.710 179.106 177.300 0.160 0.000 1.149 80 P CA 0.400 63.584 63.100 0.140 0.000 0.817 80 P CB 0.061 31.888 31.700 0.211 0.000 0.785 81 L N 0.635 121.910 121.223 0.086 0.000 2.012 81 L HA -0.126 4.212 4.340 -0.003 0.000 0.210 81 L C 2.495 179.391 176.870 0.044 0.000 1.073 81 L CA 2.590 57.492 54.840 0.103 0.000 0.748 81 L CB -1.528 40.553 42.059 0.035 0.000 0.891 81 L HN 0.078 nan 8.230 nan 0.000 0.431 82 S N -0.340 115.364 115.700 0.006 0.000 2.382 82 S HA -0.147 4.321 4.470 -0.003 0.000 0.228 82 S C 2.049 176.655 174.600 0.010 0.000 1.027 82 S CA 1.144 59.372 58.200 0.047 0.000 0.991 82 S CB -0.225 63.069 63.200 0.157 0.000 0.823 82 S HN 0.481 nan 8.310 nan 0.000 0.469 83 I N 1.064 121.606 120.570 -0.047 0.000 2.202 83 I HA -0.110 4.058 4.170 -0.003 0.000 0.242 83 I C 2.690 178.763 176.117 -0.074 0.000 1.091 83 I CA 1.196 62.486 61.300 -0.017 0.000 1.368 83 I CB -0.541 37.417 38.000 -0.070 0.000 1.058 83 I HN 0.298 nan 8.210 nan 0.000 0.410 84 S N 0.223 115.818 115.700 -0.175 0.000 2.382 84 S HA -0.173 4.295 4.470 -0.003 0.000 0.228 84 S C 2.043 176.252 174.600 -0.652 0.000 1.027 84 S CA 1.922 59.898 58.200 -0.373 0.000 0.991 84 S CB -0.373 62.839 63.200 0.019 0.000 0.823 84 S HN 0.464 nan 8.310 nan 0.000 0.469 85 T N 2.349 116.473 114.554 -0.716 0.000 2.708 85 T HA -0.043 4.305 4.350 -0.003 0.000 0.266 85 T C 2.176 176.499 174.700 -0.630 0.000 1.037 85 T CA 1.234 62.741 62.100 -0.988 0.000 1.146 85 T CB -0.533 68.092 68.868 -0.405 0.000 0.865 85 T HN 0.467 nan 8.240 nan 0.000 0.435 86 A N 1.005 123.610 122.820 -0.358 0.000 1.883 86 A HA -0.033 4.285 4.320 -0.003 0.000 0.217 86 A C 1.879 179.115 177.584 -0.579 0.000 1.186 86 A CA 1.439 53.232 52.037 -0.406 0.000 0.624 86 A CB -1.025 17.872 19.000 -0.173 0.000 0.822 86 A HN 0.500 nan 8.150 nan 0.000 0.444 87 F N -0.181 119.453 119.950 -0.526 0.000 2.748 87 F HA 0.143 4.668 4.527 -0.003 0.000 0.299 87 F C 2.428 177.948 175.800 -0.467 0.000 1.154 87 F CA 0.513 58.181 58.000 -0.552 0.000 1.446 87 F CB -0.078 38.364 39.000 -0.931 0.000 1.112 87 F HN 0.259 nan 8.300 nan 0.000 0.584 88 A N -0.707 121.889 122.820 -0.373 0.000 2.119 88 A HA -0.059 4.259 4.320 -0.003 0.000 0.216 88 A C 2.150 179.582 177.584 -0.253 0.000 1.152 88 A CA 0.850 52.731 52.037 -0.261 0.000 0.708 88 A CB -0.335 18.425 19.000 -0.400 0.000 0.805 88 A HN 0.147 nan 8.150 nan 0.000 0.460 89 M N 0.169 119.530 119.600 -0.399 0.000 2.349 89 M HA -0.058 4.420 4.480 -0.003 0.000 0.266 89 M C 2.244 178.440 176.300 -0.173 0.000 1.076 89 M CA 1.928 56.999 55.300 -0.381 0.000 1.126 89 M CB -1.344 30.867 32.600 -0.649 0.000 1.392 89 M HN 0.678 nan 8.290 nan 0.000 0.440 90 T N -2.409 112.025 114.554 -0.199 0.000 2.937 90 T HA -0.041 4.307 4.350 -0.003 0.000 0.260 90 T C 1.881 176.552 174.700 -0.048 0.000 1.051 90 T CA 0.622 62.649 62.100 -0.121 0.000 1.141 90 T CB -0.144 68.622 68.868 -0.170 0.000 0.879 90 T HN 0.139 nan 8.240 nan 0.000 0.459 91 K N 1.021 121.399 120.400 -0.037 0.000 2.160 91 K HA -0.092 4.226 4.320 -0.003 0.000 0.206 91 K C 2.185 178.787 176.600 0.003 0.000 1.047 91 K CA 1.105 57.402 56.287 0.017 0.000 0.930 91 K CB -0.701 31.835 32.500 0.060 0.000 0.720 91 K HN 0.416 nan 8.250 nan 0.000 0.450 92 L N 0.360 121.558 121.223 -0.042 0.000 2.127 92 L HA -0.083 4.255 4.340 -0.003 0.000 0.211 92 L C 1.759 178.648 176.870 0.031 0.000 1.089 92 L CA 2.342 57.128 54.840 -0.091 0.000 0.757 92 L CB -0.666 41.258 42.059 -0.226 0.000 0.899 92 L HN 0.252 nan 8.230 nan 0.000 0.434 93 G N -1.796 107.045 108.800 0.068 0.000 3.519 93 G HA2 0.484 4.442 3.960 -0.003 0.000 0.269 93 G HA3 0.484 4.442 3.960 -0.003 0.000 0.269 93 G C 0.323 175.215 174.900 -0.013 0.000 1.028 93 G CA 0.289 45.399 45.100 0.017 0.000 0.809 93 G HN 0.579 nan 8.290 nan 0.000 0.521 94 A N -0.556 122.266 122.820 0.003 0.000 2.286 94 A HA 0.726 5.044 4.320 -0.003 0.000 0.286 94 A C -0.251 177.349 177.584 0.026 0.000 1.097 94 A CA -0.203 51.837 52.037 0.006 0.000 0.821 94 A CB 0.844 19.850 19.000 0.009 0.000 1.076 94 A HN 0.347 nan 8.150 nan 0.000 0.490 95 c N 0.344 118.960 118.600 0.026 0.000 3.291 95 c HA 0.622 5.190 4.570 -0.003 0.000 0.316 95 c C 0.769 174.886 174.090 0.044 0.000 1.391 95 c CA -0.665 55.690 56.329 0.043 0.000 1.394 95 c CB 1.180 43.711 42.510 0.035 0.000 1.744 95 c HN 1.170 nan 8.230 nan 0.000 0.461 96 N N 0.806 119.544 118.700 0.063 0.000 1.175 96 N HA -0.221 4.517 4.740 -0.003 0.000 0.114 96 N C 0.316 175.860 175.510 0.057 0.000 0.804 96 N CA 1.923 55.011 53.050 0.063 0.000 0.858 96 N CB -0.790 37.723 38.487 0.043 0.000 1.032 96 N HN 0.908 nan 8.380 nan 0.000 0.617 97 D N 0.019 120.443 120.400 0.040 0.000 2.218 97 D HA -0.033 4.605 4.640 -0.003 0.000 0.204 97 D C 1.643 177.945 176.300 0.003 0.000 0.976 97 D CA 1.807 55.823 54.000 0.026 0.000 0.853 97 D CB -0.234 40.580 40.800 0.023 0.000 0.939 97 D HN 0.417 nan 8.370 nan 0.000 0.481 98 T N 0.535 115.091 114.554 0.004 0.000 2.777 98 T HA -0.104 4.244 4.350 -0.003 0.000 0.266 98 T C 1.791 176.482 174.700 -0.015 0.000 1.040 98 T CA 0.490 62.585 62.100 -0.009 0.000 1.141 98 T CB -0.257 68.606 68.868 -0.008 0.000 0.868 98 T HN 0.075 nan 8.240 nan 0.000 0.444 99 L N 1.036 122.254 121.223 -0.009 0.000 2.056 99 L HA -0.006 4.332 4.340 -0.003 0.000 0.207 99 L C 2.561 179.345 176.870 -0.144 0.000 1.078 99 L CA 1.789 56.615 54.840 -0.024 0.000 0.749 99 L CB -0.710 41.364 42.059 0.025 0.000 0.901 99 L HN 0.213 nan 8.230 nan 0.000 0.433 100 Q N -0.880 118.809 119.800 -0.184 0.000 2.030 100 Q HA -0.287 4.051 4.340 -0.003 0.000 0.204 100 Q C 2.266 178.108 176.000 -0.263 0.000 0.986 100 Q CA 2.279 57.843 55.803 -0.399 0.000 0.843 100 Q CB -0.160 28.512 28.738 -0.110 0.000 0.904 100 Q HN 0.666 nan 8.270 nan 0.000 0.420 101 Q N 0.073 119.803 119.800 -0.117 0.000 2.061 101 Q HA -0.192 4.146 4.340 -0.003 0.000 0.204 101 Q C 2.273 178.230 176.000 -0.072 0.000 0.984 101 Q CA 1.557 57.313 55.803 -0.079 0.000 0.846 101 Q CB -0.151 28.563 28.738 -0.040 0.000 0.902 101 Q HN 0.409 nan 8.270 nan 0.000 0.421 102 L N -0.151 121.061 121.223 -0.017 0.000 2.012 102 L HA -0.257 4.081 4.340 -0.003 0.000 0.210 102 L C 2.478 179.394 176.870 0.077 0.000 1.073 102 L CA 0.932 55.842 54.840 0.115 0.000 0.748 102 L CB -0.379 41.769 42.059 0.148 0.000 0.891 102 L HN 0.376 nan 8.230 nan 0.000 0.431 103 M N -0.709 118.877 119.600 -0.025 0.000 2.117 103 M HA -0.197 4.281 4.480 -0.003 0.000 0.262 103 M C 2.141 178.388 176.300 -0.088 0.000 1.065 103 M CA 1.750 57.040 55.300 -0.017 0.000 1.114 103 M CB -1.153 31.293 32.600 -0.258 0.000 1.361 103 M HN 0.319 nan 8.290 nan 0.000 0.408 104 E N -0.134 119.988 120.200 -0.131 0.000 2.107 104 E HA -0.084 4.264 4.350 -0.003 0.000 0.191 104 E C 2.220 178.735 176.600 -0.141 0.000 0.982 104 E CA 1.002 57.346 56.400 -0.093 0.000 0.809 104 E CB -0.161 29.498 29.700 -0.068 0.000 0.756 104 E HN 0.267 nan 8.360 nan 0.000 0.459 105 V N 0.658 120.441 119.914 -0.219 0.000 2.358 105 V HA -0.189 3.929 4.120 -0.003 0.000 0.246 105 V C 1.601 177.368 176.094 -0.544 0.000 1.047 105 V CA 1.518 63.600 62.300 -0.365 0.000 1.035 105 V CB -0.379 31.145 31.823 -0.498 0.000 0.658 105 V HN 0.173 nan 8.190 nan 0.000 0.452 106 F N 0.009 119.648 119.950 -0.517 0.000 2.765 106 F HA 0.246 4.771 4.527 -0.004 0.000 0.302 106 F C 1.215 176.586 175.800 -0.715 0.000 1.111 106 F CA -0.151 57.290 58.000 -0.930 0.000 1.359 106 F CB 0.042 37.970 39.000 -1.786 0.000 1.097 106 F HN 0.007 nan 8.300 nan 0.000 0.577 107 K N -1.233 119.014 120.400 -0.255 0.000 3.230 107 K HA -0.222 4.096 4.320 -0.003 0.000 0.285 107 K C 0.406 177.072 176.600 0.109 0.000 1.196 107 K CA 0.470 56.733 56.287 -0.040 0.000 0.838 107 K CB -2.804 29.723 32.500 0.044 0.000 1.262 107 K HN 0.267 nan 8.250 nan 0.000 0.492 108 F N 1.369 121.378 119.950 0.098 0.000 2.615 108 F HA -0.018 4.507 4.527 -0.004 0.000 0.297 108 F C 2.011 177.861 175.800 0.083 0.000 1.124 108 F CA 0.826 58.876 58.000 0.083 0.000 1.451 108 F CB -0.310 38.749 39.000 0.099 0.000 1.103 108 F HN 0.165 nan 8.300 nan 0.000 0.569 109 D N -0.320 120.225 120.400 0.242 0.000 2.352 109 D HA -0.088 4.550 4.640 -0.003 0.000 0.232 109 D C 1.490 177.896 176.300 0.176 0.000 1.055 109 D CA 1.203 55.348 54.000 0.242 0.000 0.891 109 D CB -0.669 40.260 40.800 0.216 0.000 0.897 109 D HN 0.383 nan 8.370 nan 0.000 0.529 110 T N -1.440 113.195 114.554 0.134 0.000 3.045 110 T HA 0.104 4.452 4.350 -0.003 0.000 0.239 110 T C 1.645 176.373 174.700 0.045 0.000 1.008 110 T CA 0.101 62.245 62.100 0.073 0.000 1.143 110 T CB -0.494 68.399 68.868 0.042 0.000 0.894 110 T HN 0.299 nan 8.240 nan 0.000 0.451 111 I N 2.891 123.488 120.570 0.044 0.000 3.466 111 I HA 0.262 4.429 4.170 -0.003 0.000 0.272 111 I C 0.747 176.863 176.117 -0.002 0.000 1.305 111 I CA -0.675 60.620 61.300 -0.010 0.000 1.307 111 I CB -0.060 37.919 38.000 -0.035 0.000 1.365 111 I HN 0.405 nan 8.210 nan 0.000 0.629 112 S N 1.626 117.303 115.700 -0.039 0.000 2.608 112 S HA 0.133 4.601 4.470 -0.003 0.000 0.261 112 S C 0.906 175.502 174.600 -0.006 0.000 1.314 112 S CA -0.462 57.722 58.200 -0.027 0.000 0.992 112 S CB 1.205 64.376 63.200 -0.049 0.000 0.935 112 S HN 0.752 nan 8.310 nan 0.000 0.564 113 E N 1.557 121.761 120.200 0.007 0.000 2.021 113 E HA -0.231 4.117 4.350 -0.003 0.000 0.200 113 E C 1.853 178.476 176.600 0.038 0.000 1.015 113 E CA 1.482 57.897 56.400 0.026 0.000 0.824 113 E CB -0.595 29.116 29.700 0.019 0.000 0.762 113 E HN 0.823 nan 8.360 nan 0.000 0.454 114 K N 0.492 120.911 120.400 0.032 0.000 2.063 114 K HA -0.133 4.185 4.320 -0.003 0.000 0.208 114 K C 2.242 178.910 176.600 0.113 0.000 1.048 114 K CA 1.802 58.133 56.287 0.074 0.000 0.928 114 K CB -0.080 32.465 32.500 0.074 0.000 0.713 114 K HN 0.048 nan 8.250 nan 0.000 0.442 115 T N 0.020 114.555 114.554 -0.032 0.000 2.746 115 T HA -0.140 4.207 4.350 -0.003 0.000 0.267 115 T C 1.928 176.635 174.700 0.012 0.000 1.039 115 T CA 1.568 63.573 62.100 -0.159 0.000 1.142 115 T CB -0.316 68.347 68.868 -0.343 0.000 0.866 115 T HN 0.293 nan 8.240 nan 0.000 0.444 116 S N 1.024 116.731 115.700 0.012 0.000 2.353 116 S HA -0.185 4.283 4.470 -0.003 0.000 0.222 116 S C 1.808 176.461 174.600 0.089 0.000 1.035 116 S CA 1.515 59.741 58.200 0.044 0.000 1.025 116 S CB -0.622 62.635 63.200 0.094 0.000 0.902 116 S HN 0.418 nan 8.310 nan 0.000 0.440 117 D N 0.586 121.053 120.400 0.111 0.000 2.144 117 D HA -0.052 4.586 4.640 -0.003 0.000 0.199 117 D C 1.234 177.622 176.300 0.148 0.000 0.984 117 D CA 0.919 54.997 54.000 0.129 0.000 0.834 117 D CB -0.160 40.701 40.800 0.102 0.000 0.955 117 D HN 0.501 nan 8.370 nan 0.000 0.465 118 Q N 0.186 120.057 119.800 0.118 0.000 2.186 118 Q HA 0.199 4.537 4.340 -0.003 0.000 0.241 118 Q C 1.783 177.727 176.000 -0.093 0.000 0.849 118 Q CA -0.331 55.411 55.803 -0.101 0.000 1.053 118 Q CB 0.906 29.586 28.738 -0.096 0.000 1.146 118 Q HN 0.359 nan 8.270 nan 0.000 0.475 119 I N 1.193 121.804 120.570 0.068 0.000 2.185 119 I HA -0.417 3.751 4.170 -0.003 0.000 0.246 119 I C 2.213 178.401 176.117 0.118 0.000 1.088 119 I CA 1.974 63.307 61.300 0.056 0.000 1.347 119 I CB 0.170 38.103 38.000 -0.112 0.000 1.041 119 I HN 0.423 nan 8.210 nan 0.000 0.415 120 H N -1.114 118.025 119.070 0.115 0.000 2.352 120 H HA -0.271 4.283 4.556 -0.004 0.000 0.299 120 H C 2.111 177.512 175.328 0.123 0.000 1.097 120 H CA 1.874 57.980 56.048 0.097 0.000 1.311 120 H CB -1.089 28.657 29.762 -0.027 0.000 1.377 120 H HN 0.440 nan 8.280 nan 0.000 0.504 121 F N 1.643 121.287 119.950 -0.511 0.000 2.075 121 F HA -0.121 4.404 4.527 -0.004 0.000 0.297 121 F C 1.612 177.227 175.800 -0.309 0.000 1.113 121 F CA 1.070 58.809 58.000 -0.434 0.000 1.218 121 F CB -0.648 37.932 39.000 -0.700 0.000 0.984 121 F HN 0.068 nan 8.300 nan 0.000 0.472 122 F N -0.742 119.019 119.950 -0.315 0.000 2.333 122 F HA -0.120 4.404 4.527 -0.003 0.000 0.300 122 F C 2.039 177.641 175.800 -0.331 0.000 1.083 122 F CA 0.932 58.688 58.000 -0.406 0.000 1.395 122 F CB -1.112 37.736 39.000 -0.254 0.000 1.056 122 F HN -0.011 nan 8.300 nan 0.000 0.529 123 F N -0.199 119.710 119.950 -0.067 0.000 2.234 123 F HA -0.010 4.515 4.527 -0.003 0.000 0.296 123 F C 2.392 178.150 175.800 -0.069 0.000 1.089 123 F CA 0.804 58.776 58.000 -0.045 0.000 1.343 123 F CB -0.924 38.051 39.000 -0.041 0.000 1.040 123 F HN -0.072 nan 8.300 nan 0.000 0.498 124 A N -0.309 122.539 122.820 0.047 0.000 1.877 124 A HA -0.195 4.123 4.320 -0.003 0.000 0.216 124 A C 2.317 179.832 177.584 -0.115 0.000 1.186 124 A CA 1.572 53.589 52.037 -0.034 0.000 0.620 124 A CB -0.626 18.313 19.000 -0.102 0.000 0.822 124 A HN 0.246 nan 8.150 nan 0.000 0.443 125 K N -0.928 119.296 120.400 -0.293 0.000 2.009 125 K HA -0.184 4.134 4.320 -0.003 0.000 0.210 125 K C 1.988 178.545 176.600 -0.073 0.000 1.049 125 K CA 1.664 57.801 56.287 -0.250 0.000 0.929 125 K CB -0.412 31.874 32.500 -0.358 0.000 0.714 125 K HN 0.397 nan 8.250 nan 0.000 0.440 126 L N 1.781 122.985 121.223 -0.031 0.000 2.012 126 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 126 L C 1.366 178.279 176.870 0.071 0.000 1.073 126 L CA 1.931 56.787 54.840 0.026 0.000 0.748 126 L CB -0.839 41.231 42.059 0.018 0.000 0.891 126 L HN 0.214 nan 8.230 nan 0.000 0.431 127 N N -1.535 117.226 118.700 0.101 0.000 2.120 127 N HA -0.207 4.531 4.740 -0.003 0.000 0.188 127 N C 1.918 177.503 175.510 0.124 0.000 1.024 127 N CA 1.534 54.660 53.050 0.127 0.000 0.852 127 N CB -0.377 38.194 38.487 0.140 0.000 1.003 127 N HN 0.423 nan 8.380 nan 0.000 0.424 128 c N 0.929 119.569 118.600 0.066 0.000 2.367 128 c HA -0.183 4.384 4.570 -0.003 0.000 0.276 128 c C 2.723 176.875 174.090 0.104 0.000 1.195 128 c CA 0.912 57.278 56.329 0.062 0.000 1.756 128 c CB -1.159 41.354 42.510 0.005 0.000 2.046 128 c HN 0.478 nan 8.230 nan 0.000 0.453 129 R N 0.382 120.925 120.500 0.072 0.000 2.103 129 R HA -0.163 4.175 4.340 -0.003 0.000 0.242 129 R C 1.977 178.334 176.300 0.095 0.000 1.142 129 R CA 1.762 57.906 56.100 0.074 0.000 0.960 129 R CB -0.342 29.990 30.300 0.053 0.000 0.858 129 R HN 0.556 nan 8.270 nan 0.000 0.439 130 L N -0.900 120.388 121.223 0.108 0.000 2.179 130 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 130 L C 2.279 179.215 176.870 0.110 0.000 1.096 130 L CA 0.757 55.657 54.840 0.099 0.000 0.779 130 L CB -0.531 41.578 42.059 0.083 0.000 0.922 130 L HN 0.207 nan 8.230 nan 0.000 0.443 131 Y N 1.334 121.668 120.300 0.057 0.000 2.114 131 Y HA -0.248 4.299 4.550 -0.004 0.000 0.284 131 Y C 2.598 178.538 175.900 0.065 0.000 1.143 131 Y CA 1.568 59.707 58.100 0.065 0.000 1.135 131 Y CB 0.010 38.499 38.460 0.048 0.000 0.980 131 Y HN -0.052 nan 8.280 nan 0.000 0.499 132 R N 0.348 121.003 120.500 0.259 0.000 2.237 132 R HA -0.056 4.282 4.340 -0.003 0.000 0.219 132 R C 2.071 178.426 176.300 0.092 0.000 1.080 132 R CA 0.971 57.176 56.100 0.175 0.000 0.995 132 R CB -0.207 30.181 30.300 0.147 0.000 0.875 132 R HN 0.297 nan 8.270 nan 0.000 0.462 133 K N -0.699 119.747 120.400 0.076 0.000 2.137 133 K HA 0.131 4.449 4.320 -0.003 0.000 0.202 133 K C 1.844 178.482 176.600 0.064 0.000 1.052 133 K CA 0.997 57.327 56.287 0.070 0.000 0.961 133 K CB 0.126 32.672 32.500 0.078 0.000 0.741 133 K HN 0.157 nan 8.250 nan 0.000 0.452 134 A N 1.268 124.111 122.820 0.037 0.000 1.970 134 A HA -0.043 4.275 4.320 -0.003 0.000 0.216 134 A C 1.552 179.129 177.584 -0.011 0.000 1.170 134 A CA 0.994 53.065 52.037 0.056 0.000 0.645 134 A CB -0.201 18.852 19.000 0.087 0.000 0.816 134 A HN 0.222 nan 8.150 nan 0.000 0.447 135 N N -0.250 118.404 118.700 -0.076 0.000 2.461 135 N HA -0.033 4.705 4.740 -0.003 0.000 0.188 135 N C 1.000 176.507 175.510 -0.006 0.000 1.134 135 N CA 0.118 53.124 53.050 -0.072 0.000 0.878 135 N CB 0.064 38.489 38.487 -0.103 0.000 0.972 135 N HN 0.290 nan 8.380 nan 0.000 0.456 136 K N 1.013 121.424 120.400 0.019 0.000 2.044 136 K HA -0.109 4.209 4.320 -0.003 0.000 0.210 136 K C 1.489 178.103 176.600 0.024 0.000 1.049 136 K CA 1.378 57.685 56.287 0.034 0.000 0.927 136 K CB 0.105 32.635 32.500 0.050 0.000 0.713 136 K HN 0.203 nan 8.250 nan 0.000 0.443 137 A N -0.589 122.240 122.820 0.015 0.000 1.817 137 A HA 0.174 4.492 4.320 -0.003 0.000 0.204 137 A C 0.928 178.483 177.584 -0.049 0.000 1.741 137 A CA -0.189 51.850 52.037 0.003 0.000 1.196 137 A CB 0.152 19.173 19.000 0.036 0.000 1.211 137 A HN 0.129 nan 8.150 nan 0.000 0.450 138 S N 0.950 116.603 115.700 -0.079 0.000 2.617 138 S HA 0.338 4.806 4.470 -0.003 0.000 0.259 138 S C -0.050 174.390 174.600 -0.265 0.000 1.301 138 S CA -0.187 57.865 58.200 -0.246 0.000 0.984 138 S CB 0.440 63.450 63.200 -0.316 0.000 0.954 138 S HN 0.270 nan 8.310 nan 0.000 0.572 139 K N 1.854 121.970 120.400 -0.473 0.000 2.347 139 K HA 0.375 4.693 4.320 -0.003 0.000 0.262 139 K C -1.451 175.053 176.600 -0.160 0.000 1.052 139 K CA -0.422 55.697 56.287 -0.280 0.000 0.946 139 K CB 0.708 33.074 32.500 -0.223 0.000 1.220 139 K HN 0.353 nan 8.250 nan 0.000 0.450 140 L N 5.916 127.134 121.223 -0.007 0.000 2.495 140 L HA 0.246 4.584 4.340 -0.003 0.000 0.248 140 L C -0.834 176.060 176.870 0.041 0.000 1.229 140 L CA -0.849 54.064 54.840 0.122 0.000 0.942 140 L CB 0.957 43.058 42.059 0.070 0.000 1.242 140 L HN 0.210 nan 8.230 nan 0.000 0.484 141 V N 1.143 121.186 119.914 0.215 0.000 2.713 141 V HA 1.030 5.148 4.120 -0.003 0.000 0.307 141 V C -0.018 176.230 176.094 0.256 0.000 1.052 141 V CA 0.267 62.704 62.300 0.228 0.000 0.967 141 V CB 1.579 33.493 31.823 0.152 0.000 1.019 141 V HN 0.814 nan 8.190 nan 0.000 0.459 142 S N 2.214 118.041 115.700 0.213 0.000 2.607 142 S HA 0.920 5.388 4.470 -0.003 0.000 0.273 142 S C -0.633 174.001 174.600 0.056 0.000 1.148 142 S CA -0.334 57.965 58.200 0.165 0.000 0.833 142 S CB 1.746 65.066 63.200 0.200 0.000 1.130 142 S HN 2.446 nan 8.310 nan 0.000 0.470 143 A N 2.186 125.035 122.820 0.048 0.000 2.569 143 A HA 0.703 5.021 4.320 -0.003 0.000 0.282 143 A C -1.116 176.604 177.584 0.227 0.000 1.165 143 A CA -0.780 51.258 52.037 0.001 0.000 0.747 143 A CB 0.272 19.115 19.000 -0.262 0.000 1.215 143 A HN 0.703 nan 8.150 nan 0.000 0.431 144 N N 1.576 120.398 118.700 0.203 0.000 2.319 144 N HA 0.792 5.530 4.740 -0.003 0.000 0.305 144 N C -0.451 175.098 175.510 0.065 0.000 1.103 144 N CA -0.448 52.679 53.050 0.128 0.000 0.815 144 N CB 2.195 40.595 38.487 -0.145 0.000 1.288 144 N HN 0.740 nan 8.380 nan 0.000 0.493 145 R N 0.156 120.698 120.500 0.071 0.000 2.825 145 R HA 0.345 4.683 4.340 -0.003 0.000 0.274 145 R C -1.927 174.218 176.300 -0.258 0.000 1.026 145 R CA -0.653 55.304 56.100 -0.239 0.000 0.867 145 R CB 1.001 30.798 30.300 -0.839 0.000 1.268 145 R HN 0.335 nan 8.270 nan 0.000 0.491 146 L N 2.269 123.232 121.223 -0.433 0.000 2.346 146 L HA 0.602 4.940 4.340 -0.003 0.000 0.276 146 L C -1.161 175.376 176.870 -0.555 0.000 1.006 146 L CA -0.057 54.605 54.840 -0.296 0.000 0.817 146 L CB 1.509 43.450 42.059 -0.196 0.000 1.272 146 L HN 0.410 nan 8.230 nan 0.000 0.421 147 F N 0.870 120.790 119.950 -0.049 0.000 2.507 147 F HA 0.758 5.284 4.527 -0.003 0.000 0.325 147 F C 0.709 176.564 175.800 0.092 0.000 1.116 147 F CA -0.678 57.308 58.000 -0.024 0.000 0.930 147 F CB 2.139 41.201 39.000 0.104 0.000 1.146 147 F HN 0.461 nan 8.300 nan 0.000 0.447 148 G N 1.202 110.086 108.800 0.140 0.000 2.498 148 G HA2 0.286 4.244 3.960 -0.003 0.000 0.312 148 G HA3 0.286 4.244 3.960 -0.003 0.000 0.312 148 G C -1.706 173.376 174.900 0.303 0.000 1.230 148 G CA -0.634 44.657 45.100 0.318 0.000 0.968 148 G HN 0.540 nan 8.290 nan 0.000 0.481 149 D N 0.456 121.092 120.400 0.393 0.000 2.389 149 D HA 0.001 4.638 4.640 -0.003 0.000 0.247 149 D C 1.557 177.932 176.300 0.126 0.000 1.128 149 D CA -0.235 53.865 54.000 0.166 0.000 0.884 149 D CB 1.161 42.125 40.800 0.273 0.000 1.194 149 D HN 0.553 nan 8.370 nan 0.000 0.441 150 K N 1.377 121.785 120.400 0.013 0.000 2.280 150 K HA -0.157 4.161 4.320 -0.003 0.000 0.202 150 K C 1.562 178.154 176.600 -0.013 0.000 1.047 150 K CA 1.313 57.617 56.287 0.029 0.000 0.942 150 K CB -0.193 32.295 32.500 -0.021 0.000 0.739 150 K HN 0.305 nan 8.250 nan 0.000 0.457 151 S N 0.960 116.646 115.700 -0.023 0.000 2.442 151 S HA -0.049 4.419 4.470 -0.003 0.000 0.236 151 S C 1.083 175.613 174.600 -0.118 0.000 1.007 151 S CA 0.117 58.288 58.200 -0.048 0.000 0.965 151 S CB -0.572 62.616 63.200 -0.020 0.000 0.773 151 S HN 0.258 nan 8.310 nan 0.000 0.504 152 L N 1.319 122.416 121.223 -0.210 0.000 2.456 152 L HA 0.364 4.702 4.340 -0.003 0.000 0.257 152 L C -0.068 176.461 176.870 -0.568 0.000 1.162 152 L CA -0.439 54.138 54.840 -0.440 0.000 0.808 152 L CB 0.835 42.470 42.059 -0.707 0.000 1.136 152 L HN 0.053 nan 8.230 nan 0.000 0.466 153 T N 1.429 115.660 114.554 -0.539 0.000 2.821 153 T HA 0.460 4.808 4.350 -0.003 0.000 0.307 153 T C -0.451 173.998 174.700 -0.419 0.000 1.034 153 T CA -0.347 61.535 62.100 -0.364 0.000 0.953 153 T CB 0.084 68.844 68.868 -0.179 0.000 0.968 153 T HN 0.064 nan 8.240 nan 0.000 0.462 154 F N 2.416 122.339 119.950 -0.045 0.000 2.375 154 F HA 0.331 4.856 4.527 -0.004 0.000 0.333 154 F C 1.194 176.973 175.800 -0.035 0.000 1.104 154 F CA -1.277 56.687 58.000 -0.061 0.000 1.149 154 F CB 0.541 39.506 39.000 -0.059 0.000 1.190 154 F HN 0.366 nan 8.300 nan 0.000 0.533 155 N N 2.097 120.890 118.700 0.156 0.000 2.438 155 N HA -0.059 4.679 4.740 -0.003 0.000 0.267 155 N C 0.876 176.476 175.510 0.151 0.000 1.222 155 N CA 0.272 53.389 53.050 0.111 0.000 0.930 155 N CB 0.685 39.226 38.487 0.089 0.000 1.083 155 N HN 0.574 nan 8.380 nan 0.000 0.476 156 E N 2.080 122.340 120.200 0.100 0.000 2.153 156 E HA -0.087 4.261 4.350 -0.003 0.000 0.194 156 E C 1.116 177.757 176.600 0.068 0.000 0.988 156 E CA 1.348 57.796 56.400 0.080 0.000 0.811 156 E CB 0.075 29.803 29.700 0.048 0.000 0.746 156 E HN 0.658 nan 8.360 nan 0.000 0.466 157 T N -0.588 114.007 114.554 0.069 0.000 2.821 157 T HA -0.155 4.193 4.350 -0.003 0.000 0.267 157 T C 1.519 176.244 174.700 0.042 0.000 1.046 157 T CA 1.227 63.352 62.100 0.042 0.000 1.139 157 T CB -0.485 68.406 68.868 0.037 0.000 0.871 157 T HN 0.327 nan 8.240 nan 0.000 0.454 158 Y N 1.866 122.146 120.300 -0.032 0.000 2.224 158 Y HA -0.165 4.383 4.550 -0.004 0.000 0.289 158 Y C 2.617 178.478 175.900 -0.065 0.000 1.146 158 Y CA 1.189 59.254 58.100 -0.059 0.000 1.182 158 Y CB -0.174 38.256 38.460 -0.051 0.000 0.983 158 Y HN 0.051 nan 8.280 nan 0.000 0.524 159 Q N 0.434 120.305 119.800 0.118 0.000 2.050 159 Q HA -0.196 4.142 4.340 -0.003 0.000 0.202 159 Q C 1.814 177.771 176.000 -0.073 0.000 0.980 159 Q CA 1.808 57.623 55.803 0.020 0.000 0.840 159 Q CB -0.566 28.203 28.738 0.051 0.000 0.898 159 Q HN 0.591 nan 8.270 nan 0.000 0.424 160 D N 0.429 120.801 120.400 -0.047 0.000 2.149 160 D HA -0.117 4.521 4.640 -0.003 0.000 0.198 160 D C 2.034 178.285 176.300 -0.081 0.000 0.990 160 D CA 0.847 54.816 54.000 -0.052 0.000 0.839 160 D CB -0.163 40.619 40.800 -0.031 0.000 0.948 160 D HN 0.289 nan 8.370 nan 0.000 0.460 161 I N 0.355 120.846 120.570 -0.132 0.000 2.286 161 I HA -0.198 3.969 4.170 -0.003 0.000 0.245 161 I C 2.552 178.561 176.117 -0.181 0.000 1.104 161 I CA 0.600 61.813 61.300 -0.145 0.000 1.397 161 I CB -0.211 37.670 38.000 -0.198 0.000 1.072 161 I HN -0.062 nan 8.210 nan 0.000 0.417 162 S N 0.750 116.260 115.700 -0.317 0.000 2.359 162 S HA -0.292 4.176 4.470 -0.003 0.000 0.224 162 S C 2.056 176.606 174.600 -0.083 0.000 1.035 162 S CA 1.996 60.034 58.200 -0.269 0.000 1.018 162 S CB -0.283 62.701 63.200 -0.359 0.000 0.876 162 S HN 0.480 nan 8.310 nan 0.000 0.448 163 E N -0.344 119.805 120.200 -0.084 0.000 2.153 163 E HA -0.140 4.208 4.350 -0.003 0.000 0.194 163 E C 2.053 178.634 176.600 -0.033 0.000 0.988 163 E CA 1.147 57.516 56.400 -0.052 0.000 0.811 163 E CB -0.196 29.472 29.700 -0.054 0.000 0.746 163 E HN 0.525 nan 8.360 nan 0.000 0.466 164 L N -0.129 121.077 121.223 -0.028 0.000 2.044 164 L HA -0.053 4.285 4.340 -0.003 0.000 0.205 164 L C 2.209 179.090 176.870 0.019 0.000 1.075 164 L CA 1.240 56.077 54.840 -0.006 0.000 0.747 164 L CB -0.194 41.864 42.059 -0.001 0.000 0.903 164 L HN 0.076 nan 8.230 nan 0.000 0.435 165 V N -2.009 117.930 119.914 0.042 0.000 3.174 165 V HA -0.084 4.034 4.120 -0.003 0.000 0.254 165 V C 1.256 177.429 176.094 0.131 0.000 1.120 165 V CA 0.598 62.949 62.300 0.084 0.000 1.114 165 V CB 0.022 31.926 31.823 0.135 0.000 0.756 165 V HN 0.635 nan 8.190 nan 0.000 0.467 166 Y N 0.234 120.491 120.300 -0.073 0.000 2.500 166 Y HA 0.487 5.035 4.550 -0.003 0.000 0.246 166 Y C 1.503 177.363 175.900 -0.068 0.000 1.146 166 Y CA 0.025 58.077 58.100 -0.081 0.000 1.230 166 Y CB 0.788 39.174 38.460 -0.124 0.000 1.214 166 Y HN 0.268 nan 8.280 nan 0.000 0.526 167 G N 0.636 109.395 108.800 -0.068 0.000 2.336 167 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.233 167 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.233 167 G C 0.279 175.122 174.900 -0.094 0.000 1.053 167 G CA -0.001 45.027 45.100 -0.120 0.000 0.625 167 G HN 1.018 nan 8.290 nan 0.000 0.511 168 A N -0.308 122.452 122.820 -0.100 0.000 2.594 168 A HA 0.754 5.072 4.320 -0.003 0.000 0.295 168 A C -0.343 177.185 177.584 -0.093 0.000 1.071 168 A CA 0.268 52.246 52.037 -0.097 0.000 0.685 168 A CB 1.144 20.069 19.000 -0.125 0.000 1.285 168 A HN 1.116 nan 8.150 nan 0.000 0.405 169 K N 1.372 121.699 120.400 -0.121 0.000 2.098 169 K HA 0.680 4.998 4.320 -0.003 0.000 0.258 169 K C -0.151 176.320 176.600 -0.214 0.000 0.973 169 K CA -0.685 55.525 56.287 -0.128 0.000 0.898 169 K CB 1.568 34.010 32.500 -0.096 0.000 1.057 169 K HN 0.712 nan 8.250 nan 0.000 0.447 170 L N 1.833 122.925 121.223 -0.219 0.000 2.678 170 L HA -0.108 4.229 4.340 -0.003 0.000 0.285 170 L C -0.231 176.379 176.870 -0.434 0.000 1.233 170 L CA 0.511 55.121 54.840 -0.383 0.000 0.920 170 L CB 0.378 42.142 42.059 -0.492 0.000 1.176 170 L HN 0.633 nan 8.230 nan 0.000 0.495 171 Q N 6.927 126.425 119.800 -0.502 0.000 2.360 171 Q HA 0.395 4.733 4.340 -0.003 0.000 0.254 171 Q C -2.354 173.537 176.000 -0.181 0.000 0.975 171 Q CA -1.851 53.738 55.803 -0.357 0.000 0.912 171 Q CB 1.533 29.986 28.738 -0.475 0.000 1.212 171 Q HN 0.430 nan 8.270 nan 0.000 0.452 172 P HA 0.219 nan 4.420 nan 0.000 0.271 172 P C -0.689 176.553 177.300 -0.097 0.000 1.216 172 P CA 0.188 63.275 63.100 -0.021 0.000 0.771 172 P CB 0.691 32.433 31.700 0.071 0.000 0.864 173 L N 1.873 122.947 121.223 -0.248 0.000 2.359 173 L HA 0.445 4.783 4.340 -0.003 0.000 0.256 173 L C -0.052 176.521 176.870 -0.495 0.000 1.026 173 L CA -0.789 53.795 54.840 -0.425 0.000 0.828 173 L CB 2.149 43.794 42.059 -0.690 0.000 1.406 173 L HN 0.151 nan 8.230 nan 0.000 0.413 174 D N 0.279 120.466 120.400 -0.354 0.000 2.564 174 D HA 0.212 4.850 4.640 -0.003 0.000 0.226 174 D C 0.617 176.845 176.300 -0.121 0.000 1.149 174 D CA -0.146 53.736 54.000 -0.196 0.000 0.994 174 D CB 0.286 41.032 40.800 -0.090 0.000 1.029 174 D HN 0.209 nan 8.370 nan 0.000 0.517 175 F N 1.332 121.294 119.950 0.020 0.000 2.186 175 F HA -0.020 4.505 4.527 -0.004 0.000 0.299 175 F C 2.214 178.024 175.800 0.016 0.000 1.090 175 F CA 0.791 58.800 58.000 0.015 0.000 1.307 175 F CB -0.230 38.783 39.000 0.023 0.000 1.019 175 F HN 0.219 nan 8.300 nan 0.000 0.489 176 K N -0.186 120.332 120.400 0.198 0.000 2.097 176 K HA -0.138 4.180 4.320 -0.003 0.000 0.206 176 K C 1.620 178.268 176.600 0.080 0.000 1.049 176 K CA 1.446 57.805 56.287 0.120 0.000 0.933 176 K CB -0.102 32.450 32.500 0.086 0.000 0.717 176 K HN 0.234 nan 8.250 nan 0.000 0.442 177 E N -0.072 120.164 120.200 0.060 0.000 2.372 177 E HA 0.051 4.398 4.350 -0.003 0.000 0.201 177 E C -0.096 176.527 176.600 0.037 0.000 0.938 177 E CA 0.405 56.828 56.400 0.039 0.000 0.944 177 E CB 0.432 30.144 29.700 0.020 0.000 0.937 177 E HN 0.168 nan 8.360 nan 0.000 0.495 178 N N 0.248 118.974 118.700 0.043 0.000 2.733 178 N HA 0.253 4.991 4.740 -0.003 0.000 0.271 178 N C 0.206 175.760 175.510 0.074 0.000 1.720 178 N CA 0.108 53.181 53.050 0.038 0.000 0.803 178 N CB 1.302 39.792 38.487 0.006 0.000 1.208 178 N HN -0.004 nan 8.380 nan 0.000 0.498 179 A N 0.251 123.137 122.820 0.110 0.000 1.877 179 A HA -0.130 4.188 4.320 -0.003 0.000 0.216 179 A C 2.036 179.678 177.584 0.096 0.000 1.186 179 A CA 1.222 53.354 52.037 0.157 0.000 0.620 179 A CB -0.097 18.971 19.000 0.113 0.000 0.822 179 A HN 0.306 nan 8.150 nan 0.000 0.443 180 E N -0.206 120.025 120.200 0.051 0.000 2.077 180 E HA -0.199 4.148 4.350 -0.003 0.000 0.193 180 E C 2.240 178.849 176.600 0.015 0.000 0.989 180 E CA 1.591 58.006 56.400 0.024 0.000 0.800 180 E CB -0.304 29.405 29.700 0.015 0.000 0.746 180 E HN 0.706 nan 8.360 nan 0.000 0.452 181 Q N -0.062 119.748 119.800 0.015 0.000 2.124 181 Q HA -0.028 4.310 4.340 -0.003 0.000 0.202 181 Q C 2.258 178.251 176.000 -0.011 0.000 0.977 181 Q CA 1.397 57.200 55.803 0.000 0.000 0.850 181 Q CB -0.202 28.535 28.738 -0.002 0.000 0.901 181 Q HN 0.042 nan 8.270 nan 0.000 0.429 182 S N 0.033 115.734 115.700 0.002 0.000 2.383 182 S HA -0.091 4.377 4.470 -0.003 0.000 0.227 182 S C 1.751 176.337 174.600 -0.023 0.000 1.026 182 S CA 0.619 58.804 58.200 -0.026 0.000 0.981 182 S CB -0.076 63.135 63.200 0.017 0.000 0.818 182 S HN 0.245 nan 8.310 nan 0.000 0.472 183 R N 1.438 121.945 120.500 0.011 0.000 2.073 183 R HA -0.010 4.328 4.340 -0.003 0.000 0.234 183 R C 2.389 178.651 176.300 -0.063 0.000 1.134 183 R CA 1.527 57.603 56.100 -0.041 0.000 0.952 183 R CB -0.758 29.523 30.300 -0.032 0.000 0.850 183 R HN 0.414 nan 8.270 nan 0.000 0.433 184 A N 0.451 123.250 122.820 -0.036 0.000 1.930 184 A HA -0.056 4.262 4.320 -0.003 0.000 0.217 184 A C 2.328 179.901 177.584 -0.018 0.000 1.175 184 A CA 1.676 53.698 52.037 -0.026 0.000 0.627 184 A CB -0.541 18.451 19.000 -0.014 0.000 0.815 184 A HN 0.446 nan 8.150 nan 0.000 0.443 185 A N -0.018 122.786 122.820 -0.027 0.000 1.902 185 A HA -0.060 4.258 4.320 -0.003 0.000 0.217 185 A C 2.107 179.698 177.584 0.011 0.000 1.181 185 A CA 1.463 53.498 52.037 -0.004 0.000 0.623 185 A CB -0.566 18.416 19.000 -0.030 0.000 0.818 185 A HN 0.494 nan 8.150 nan 0.000 0.443 186 I N 0.055 120.552 120.570 -0.121 0.000 2.179 186 I HA -0.256 3.912 4.170 -0.003 0.000 0.242 186 I C 2.123 178.274 176.117 0.056 0.000 1.088 186 I CA 1.193 62.385 61.300 -0.180 0.000 1.357 186 I CB -0.450 37.270 38.000 -0.466 0.000 1.051 186 I HN 0.323 nan 8.210 nan 0.000 0.409 187 N N 0.525 119.224 118.700 -0.002 0.000 2.142 187 N HA -0.175 4.563 4.740 -0.003 0.000 0.186 187 N C 1.959 177.492 175.510 0.039 0.000 1.023 187 N CA 1.135 54.193 53.050 0.014 0.000 0.852 187 N CB -0.345 38.126 38.487 -0.027 0.000 0.998 187 N HN 0.145 nan 8.380 nan 0.000 0.424 188 K N 0.205 120.634 120.400 0.047 0.000 2.097 188 K HA -0.133 4.185 4.320 -0.003 0.000 0.206 188 K C 1.753 178.396 176.600 0.072 0.000 1.049 188 K CA 1.063 57.374 56.287 0.041 0.000 0.933 188 K CB -0.810 31.716 32.500 0.044 0.000 0.717 188 K HN 0.532 nan 8.250 nan 0.000 0.442 189 W N 0.190 121.486 121.300 -0.007 0.000 2.388 189 W HA -0.058 4.598 4.660 -0.006 0.000 0.294 189 W C 1.755 178.296 176.519 0.035 0.000 1.212 189 W CA 1.293 58.657 57.345 0.031 0.000 1.271 189 W CB -0.275 29.241 29.460 0.094 0.000 1.126 189 W HN 0.048 nan 8.180 nan 0.000 0.535 190 V N 0.075 120.008 119.914 0.031 0.000 2.307 190 V HA -0.293 3.825 4.120 -0.003 0.000 0.245 190 V C 2.497 178.431 176.094 -0.267 0.000 1.045 190 V CA 2.197 64.382 62.300 -0.192 0.000 1.024 190 V CB -1.215 30.662 31.823 0.091 0.000 0.651 190 V HN 0.312 nan 8.190 nan 0.000 0.449 191 S N 0.241 115.847 115.700 -0.156 0.000 2.382 191 S HA -0.252 4.216 4.470 -0.003 0.000 0.228 191 S C 2.081 176.553 174.600 -0.213 0.000 1.027 191 S CA 1.937 60.039 58.200 -0.163 0.000 0.991 191 S CB -0.569 62.568 63.200 -0.105 0.000 0.823 191 S HN 0.692 nan 8.310 nan 0.000 0.469 192 N N 1.224 119.782 118.700 -0.237 0.000 2.058 192 N HA -0.100 4.638 4.740 -0.003 0.000 0.191 192 N C 1.727 177.055 175.510 -0.304 0.000 1.037 192 N CA 1.194 54.101 53.050 -0.237 0.000 0.848 192 N CB -0.415 37.945 38.487 -0.212 0.000 1.021 192 N HN 0.286 nan 8.380 nan 0.000 0.422 193 K N 0.143 120.254 120.400 -0.482 0.000 2.442 193 K HA -0.053 4.265 4.320 -0.003 0.000 0.198 193 K C 0.816 177.239 176.600 -0.294 0.000 1.044 193 K CA 1.328 57.343 56.287 -0.453 0.000 0.948 193 K CB -0.144 31.897 32.500 -0.766 0.000 0.762 193 K HN 0.515 nan 8.250 nan 0.000 0.472 194 T N -2.745 111.641 114.554 -0.280 0.000 3.200 194 T HA 0.065 4.413 4.350 -0.003 0.000 0.284 194 T C -0.268 174.252 174.700 -0.300 0.000 1.009 194 T CA -0.244 61.704 62.100 -0.252 0.000 0.907 194 T CB 0.263 68.990 68.868 -0.235 0.000 1.120 194 T HN 0.015 nan 8.240 nan 0.000 0.534 195 E N 0.383 120.435 120.200 -0.247 0.000 2.228 195 E HA -0.145 4.203 4.350 -0.003 0.000 0.213 195 E C 1.470 177.916 176.600 -0.256 0.000 1.282 195 E CA 1.083 57.346 56.400 -0.228 0.000 0.707 195 E CB -2.417 27.153 29.700 -0.217 0.000 1.150 195 E HN 1.782 nan 8.360 nan 0.000 0.362 196 G N -0.872 107.788 108.800 -0.233 0.000 2.196 196 G HA2 -0.473 3.485 3.960 -0.003 0.000 0.268 196 G HA3 -0.473 3.485 3.960 -0.003 0.000 0.268 196 G C 1.013 175.734 174.900 -0.299 0.000 0.975 196 G CA 1.079 46.047 45.100 -0.221 0.000 0.648 196 G HN 0.528 nan 8.290 nan 0.000 0.538 197 R N -0.147 120.094 120.500 -0.433 0.000 2.075 197 R HA 0.296 4.634 4.340 -0.003 0.000 0.232 197 R C 1.385 177.375 176.300 -0.516 0.000 1.126 197 R CA 1.236 56.939 56.100 -0.661 0.000 0.963 197 R CB -0.034 29.625 30.300 -1.068 0.000 0.858 197 R HN 0.539 nan 8.270 nan 0.000 0.435 198 I N 1.139 121.537 120.570 -0.287 0.000 2.382 198 I HA 0.224 4.392 4.170 -0.003 0.000 0.286 198 I C -0.346 175.728 176.117 -0.072 0.000 1.002 198 I CA -0.578 60.657 61.300 -0.108 0.000 1.135 198 I CB 1.796 39.790 38.000 -0.010 0.000 1.288 198 I HN 0.121 nan 8.210 nan 0.000 0.448 199 T N 0.302 114.839 114.554 -0.028 0.000 2.924 199 T HA 0.357 4.705 4.350 -0.003 0.000 0.291 199 T C -0.226 174.479 174.700 0.007 0.000 1.045 199 T CA -0.696 61.392 62.100 -0.021 0.000 1.015 199 T CB 1.849 70.699 68.868 -0.031 0.000 1.103 199 T HN 0.628 nan 8.240 nan 0.000 0.496 200 D N 0.479 120.874 120.400 -0.009 0.000 2.689 200 D HA -0.145 4.493 4.640 -0.003 0.000 0.237 200 D C 1.345 177.629 176.300 -0.027 0.000 1.148 200 D CA 0.480 54.469 54.000 -0.019 0.000 0.656 200 D CB -1.535 39.263 40.800 -0.004 0.000 1.050 200 D HN 0.443 nan 8.370 nan 0.000 0.426 201 V N -0.426 119.471 119.914 -0.028 0.000 2.287 201 V HA -0.195 3.923 4.120 -0.003 0.000 0.248 201 V C 1.619 177.602 176.094 -0.185 0.000 1.053 201 V CA 1.416 63.698 62.300 -0.030 0.000 1.027 201 V CB -0.087 31.749 31.823 0.022 0.000 0.646 201 V HN 0.387 nan 8.190 nan 0.000 0.447 202 I N 2.982 123.369 120.570 -0.306 0.000 2.312 202 I HA 0.290 4.458 4.170 -0.003 0.000 0.290 202 I C -2.230 173.687 176.117 -0.333 0.000 1.008 202 I CA -1.970 58.964 61.300 -0.610 0.000 1.226 202 I CB 1.676 39.296 38.000 -0.633 0.000 1.371 202 I HN 0.142 nan 8.210 nan 0.000 0.468 203 P HA 0.048 nan 4.420 nan 0.000 0.274 203 P C -0.231 177.018 177.300 -0.084 0.000 1.231 203 P CA -0.278 62.763 63.100 -0.098 0.000 0.790 203 P CB 1.249 32.941 31.700 -0.013 0.000 0.951 204 S N 0.873 116.549 115.700 -0.041 0.000 2.572 204 S HA 0.202 4.670 4.470 -0.003 0.000 0.279 204 S C 1.057 175.656 174.600 -0.002 0.000 1.341 204 S CA 1.044 59.228 58.200 -0.026 0.000 1.043 204 S CB -0.392 62.801 63.200 -0.011 0.000 0.887 204 S HN 0.715 nan 8.310 nan 0.000 0.516 205 E N 1.460 121.662 120.200 0.004 0.000 4.182 205 E HA -0.226 4.122 4.350 -0.003 0.000 0.326 205 E C 1.036 177.660 176.600 0.041 0.000 0.591 205 E CA 1.719 58.133 56.400 0.024 0.000 1.969 205 E CB -2.315 27.404 29.700 0.033 0.000 1.831 205 E HN 1.669 nan 8.360 nan 0.000 0.515 206 A N 0.803 123.651 122.820 0.047 0.000 2.119 206 A HA 0.554 4.872 4.320 -0.003 0.000 0.217 206 A C 1.448 179.079 177.584 0.079 0.000 1.153 206 A CA 1.267 53.383 52.037 0.131 0.000 0.692 206 A CB -0.259 18.867 19.000 0.210 0.000 0.799 206 A HN 0.810 nan 8.150 nan 0.000 0.458 207 I N 1.037 121.603 120.570 -0.006 0.000 2.439 207 I HA 0.262 4.430 4.170 -0.003 0.000 0.285 207 I C -0.820 175.276 176.117 -0.035 0.000 1.021 207 I CA -0.756 60.501 61.300 -0.071 0.000 1.091 207 I CB 1.793 39.732 38.000 -0.102 0.000 1.242 207 I HN 0.440 nan 8.210 nan 0.000 0.439 208 N N 4.719 123.394 118.700 -0.042 0.000 3.294 208 N HA 0.249 4.987 4.740 -0.003 0.000 0.355 208 N C 0.505 176.031 175.510 0.026 0.000 1.497 208 N CA -0.756 52.298 53.050 0.008 0.000 0.707 208 N CB 0.193 38.692 38.487 0.020 0.000 1.732 208 N HN 0.403 nan 8.380 nan 0.000 0.640 209 E N -0.118 120.114 120.200 0.053 0.000 2.478 209 E HA -0.034 4.314 4.350 -0.003 0.000 0.198 209 E C 0.786 177.434 176.600 0.079 0.000 1.046 209 E CA 0.775 57.224 56.400 0.081 0.000 0.870 209 E CB -0.427 29.315 29.700 0.070 0.000 0.818 209 E HN 0.663 nan 8.360 nan 0.000 0.527 210 L N 1.157 122.413 121.223 0.055 0.000 2.607 210 L HA 0.151 4.489 4.340 -0.003 0.000 0.228 210 L C 0.520 177.410 176.870 0.033 0.000 1.123 210 L CA -0.062 54.822 54.840 0.073 0.000 0.890 210 L CB 0.042 42.157 42.059 0.093 0.000 1.103 210 L HN -0.145 nan 8.230 nan 0.000 0.468 211 T N 0.649 115.160 114.554 -0.073 0.000 2.888 211 T HA 0.120 4.468 4.350 -0.003 0.000 0.301 211 T C 1.157 175.750 174.700 -0.179 0.000 1.001 211 T CA 0.072 62.004 62.100 -0.281 0.000 1.147 211 T CB 1.822 70.243 68.868 -0.744 0.000 0.931 211 T HN 0.127 nan 8.240 nan 0.000 0.541 212 V N 1.224 121.026 119.914 -0.187 0.000 3.250 212 V HA 0.559 4.677 4.120 -0.003 0.000 0.240 212 V C -0.040 176.124 176.094 0.116 0.000 1.275 212 V CA -0.134 62.172 62.300 0.011 0.000 1.206 212 V CB 0.026 31.766 31.823 -0.137 0.000 0.976 212 V HN 0.530 nan 8.190 nan 0.000 0.467 213 L N 1.170 122.358 121.223 -0.060 0.000 2.464 213 L HA 0.857 5.195 4.340 -0.003 0.000 0.266 213 L C -1.303 175.575 176.870 0.014 0.000 0.965 213 L CA -0.579 54.285 54.840 0.040 0.000 0.833 213 L CB 2.163 44.201 42.059 -0.035 0.000 1.296 213 L HN 0.010 nan 8.230 nan 0.000 0.405 214 V N 5.503 125.501 119.914 0.140 0.000 2.638 214 V HA 0.543 4.661 4.120 -0.003 0.000 0.306 214 V C -0.630 175.600 176.094 0.227 0.000 1.052 214 V CA -0.584 61.826 62.300 0.184 0.000 0.885 214 V CB 1.872 33.844 31.823 0.249 0.000 0.999 214 V HN 0.590 nan 8.190 nan 0.000 0.424 215 L N 4.816 126.131 121.223 0.153 0.000 2.309 215 L HA 0.718 5.056 4.340 -0.003 0.000 0.282 215 L C -0.399 176.629 176.870 0.264 0.000 1.036 215 L CA -0.048 54.850 54.840 0.098 0.000 0.806 215 L CB 1.905 43.883 42.059 -0.136 0.000 1.220 215 L HN 0.457 nan 8.230 nan 0.000 0.429 216 V N 2.784 122.877 119.914 0.299 0.000 2.567 216 V HA 0.458 4.576 4.120 -0.003 0.000 0.298 216 V C -1.179 175.112 176.094 0.328 0.000 1.047 216 V CA -0.836 61.692 62.300 0.379 0.000 0.880 216 V CB 1.733 33.863 31.823 0.512 0.000 1.009 216 V HN 0.904 nan 8.190 nan 0.000 0.429 217 N N 1.727 120.614 118.700 0.311 0.000 2.461 217 N HA 0.712 5.450 4.740 -0.003 0.000 0.284 217 N C -0.655 175.014 175.510 0.264 0.000 1.049 217 N CA -0.653 52.577 53.050 0.300 0.000 0.889 217 N CB 2.214 40.886 38.487 0.308 0.000 1.365 217 N HN 0.585 nan 8.380 nan 0.000 0.499 218 T N -0.269 114.403 114.554 0.196 0.000 2.887 218 T HA 0.716 5.064 4.350 -0.003 0.000 0.288 218 T C -0.516 174.288 174.700 0.173 0.000 1.021 218 T CA -0.808 61.361 62.100 0.114 0.000 1.000 218 T CB 1.275 70.209 68.868 0.110 0.000 1.034 218 T HN 0.636 nan 8.240 nan 0.000 0.467 219 I N 2.010 122.716 120.570 0.225 0.000 2.752 219 I HA 0.674 4.842 4.170 -0.003 0.000 0.295 219 I C -2.173 174.231 176.117 0.479 0.000 1.219 219 I CA -1.271 60.243 61.300 0.357 0.000 1.030 219 I CB 2.215 40.460 38.000 0.408 0.000 1.259 219 I HN 0.924 nan 8.210 nan 0.000 0.423 220 Y N 7.208 127.696 120.300 0.313 0.000 2.536 220 Y HA 0.735 5.284 4.550 -0.001 0.000 0.347 220 Y C -1.977 174.108 175.900 0.307 0.000 1.000 220 Y CA -0.923 57.338 58.100 0.269 0.000 1.051 220 Y CB 1.862 40.377 38.460 0.091 0.000 1.259 220 Y HN 0.529 nan 8.280 nan 0.000 0.468 221 F N 4.878 124.309 119.950 -0.866 0.000 2.665 221 F HA 0.490 5.015 4.527 -0.004 0.000 0.308 221 F C -1.801 173.491 175.800 -0.847 0.000 1.112 221 F CA -0.774 56.810 58.000 -0.693 0.000 0.972 221 F CB 1.531 40.206 39.000 -0.541 0.000 1.295 221 F HN 0.496 nan 8.300 nan 0.000 0.440 222 K N 4.367 123.934 120.400 -1.388 0.000 2.713 222 K HA 0.437 4.754 4.320 -0.003 0.000 0.304 222 K C -1.377 174.489 176.600 -1.223 0.000 1.240 222 K CA -0.459 55.202 56.287 -1.044 0.000 1.080 222 K CB 0.842 33.020 32.500 -0.537 0.000 1.387 222 K HN 0.896 nan 8.250 nan 0.000 0.527 223 G N 3.202 111.023 108.800 -1.631 0.000 2.395 223 G HA2 0.290 4.248 3.960 -0.003 0.000 0.283 223 G HA3 0.290 4.248 3.960 -0.003 0.000 0.283 223 G C -0.454 174.241 174.900 -0.342 0.000 1.178 223 G CA -0.752 43.654 45.100 -1.156 0.000 0.837 223 G HN 0.460 nan 8.290 nan 0.000 0.518 224 L N 2.779 123.925 121.223 -0.128 0.000 2.433 224 L HA 0.198 4.536 4.340 -0.003 0.000 0.275 224 L C 0.119 177.137 176.870 0.248 0.000 1.128 224 L CA -0.505 54.342 54.840 0.011 0.000 0.875 224 L CB -0.188 41.888 42.059 0.028 0.000 1.171 224 L HN 0.606 nan 8.230 nan 0.000 0.463 225 W N 5.319 126.744 121.300 0.209 0.000 2.231 225 W HA -0.034 4.625 4.660 -0.003 0.000 0.341 225 W C 1.540 178.104 176.519 0.075 0.000 1.298 225 W CA -0.359 57.056 57.345 0.118 0.000 1.266 225 W CB 0.706 30.219 29.460 0.088 0.000 1.172 225 W HN 0.590 nan 8.180 nan 0.000 0.568 226 K N 1.283 121.880 120.400 0.328 0.000 2.057 226 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 226 K C 0.714 177.365 176.600 0.084 0.000 1.050 226 K CA 1.465 57.850 56.287 0.163 0.000 0.935 226 K CB -0.072 32.489 32.500 0.102 0.000 0.715 226 K HN 0.346 nan 8.250 nan 0.000 0.439 227 S N 1.098 116.821 115.700 0.038 0.000 2.718 227 S HA 0.223 4.691 4.470 -0.003 0.000 0.294 227 S C -0.779 173.746 174.600 -0.125 0.000 1.157 227 S CA -0.977 57.177 58.200 -0.077 0.000 1.121 227 S CB 1.293 64.365 63.200 -0.212 0.000 1.015 227 S HN 0.210 nan 8.310 nan 0.000 0.479 228 K N 2.535 122.938 120.400 0.006 0.000 2.107 228 K HA 0.629 4.947 4.320 -0.003 0.000 0.251 228 K C -0.733 175.833 176.600 -0.058 0.000 1.012 228 K CA -0.665 55.681 56.287 0.099 0.000 0.920 228 K CB -0.378 32.293 32.500 0.286 0.000 1.033 228 K HN 0.548 nan 8.250 nan 0.000 0.478 229 F N 0.384 120.341 119.950 0.011 0.000 2.375 229 F HA 0.401 4.926 4.527 -0.003 0.000 0.333 229 F C 1.311 177.138 175.800 0.044 0.000 1.104 229 F CA -0.631 57.361 58.000 -0.014 0.000 1.149 229 F CB 1.640 40.627 39.000 -0.022 0.000 1.190 229 F HN 0.708 nan 8.300 nan 0.000 0.533 230 S N 3.194 119.025 115.700 0.218 0.000 2.513 230 S HA 0.314 4.782 4.470 -0.003 0.000 0.276 230 S C -1.771 172.924 174.600 0.159 0.000 1.254 230 S CA -1.415 56.878 58.200 0.155 0.000 1.053 230 S CB 1.130 64.396 63.200 0.109 0.000 0.958 230 S HN 0.336 nan 8.310 nan 0.000 0.491 231 P HA -0.074 nan 4.420 nan 0.000 0.218 231 P C 0.634 177.986 177.300 0.086 0.000 1.148 231 P CA 1.089 64.248 63.100 0.098 0.000 0.822 231 P CB 0.077 31.822 31.700 0.076 0.000 0.784 232 E N -1.102 119.148 120.200 0.082 0.000 2.472 232 E HA -0.076 4.272 4.350 -0.003 0.000 0.200 232 E C 0.751 177.399 176.600 0.080 0.000 1.046 232 E CA 0.363 56.805 56.400 0.070 0.000 0.871 232 E CB -0.412 29.323 29.700 0.059 0.000 0.806 232 E HN 0.298 nan 8.360 nan 0.000 0.533 233 N N 0.142 118.911 118.700 0.115 0.000 2.203 233 N HA 0.024 4.762 4.740 -0.003 0.000 0.207 233 N C -0.527 175.066 175.510 0.138 0.000 1.130 233 N CA 0.254 53.387 53.050 0.139 0.000 0.861 233 N CB 1.074 39.707 38.487 0.244 0.000 1.005 233 N HN -0.086 nan 8.380 nan 0.000 0.507 234 T N 1.914 116.533 114.554 0.108 0.000 2.806 234 T HA 0.498 4.846 4.350 -0.003 0.000 0.290 234 T C 0.505 175.246 174.700 0.068 0.000 0.966 234 T CA -0.425 61.729 62.100 0.090 0.000 1.060 234 T CB 1.262 70.169 68.868 0.066 0.000 0.927 234 T HN 0.322 nan 8.240 nan 0.000 0.485 235 R N 0.709 121.251 120.500 0.070 0.000 2.734 235 R HA 0.544 4.882 4.340 -0.003 0.000 0.271 235 R C -1.402 174.931 176.300 0.055 0.000 1.021 235 R CA -1.317 54.815 56.100 0.053 0.000 0.893 235 R CB 1.039 31.366 30.300 0.045 0.000 1.244 235 R HN 0.150 nan 8.270 nan 0.000 0.464 236 K N 1.404 121.827 120.400 0.040 0.000 2.295 236 K HA 0.255 4.573 4.320 -0.003 0.000 0.270 236 K C -0.618 176.006 176.600 0.040 0.000 1.011 236 K CA 0.066 56.374 56.287 0.036 0.000 0.953 236 K CB 0.807 33.320 32.500 0.022 0.000 0.956 236 K HN 0.642 nan 8.250 nan 0.000 0.477 237 E N 1.031 121.258 120.200 0.045 0.000 2.401 237 E HA 0.255 4.603 4.350 -0.003 0.000 0.280 237 E C -0.824 175.795 176.600 0.032 0.000 1.039 237 E CA -0.627 55.800 56.400 0.044 0.000 0.814 237 E CB 1.661 31.404 29.700 0.071 0.000 1.275 237 E HN 0.279 nan 8.360 nan 0.000 0.448 238 L N 1.956 123.170 121.223 -0.014 0.000 2.452 238 L HA 0.364 4.701 4.340 -0.003 0.000 0.267 238 L C -0.262 176.548 176.870 -0.099 0.000 1.188 238 L CA 0.024 54.784 54.840 -0.134 0.000 0.821 238 L CB 0.228 42.099 42.059 -0.314 0.000 1.102 238 L HN 0.427 nan 8.230 nan 0.000 0.470 239 F N 1.619 121.370 119.950 -0.330 0.000 2.539 239 F HA 0.390 4.915 4.527 -0.003 0.000 0.318 239 F C -0.993 174.605 175.800 -0.337 0.000 1.135 239 F CA -0.671 57.215 58.000 -0.191 0.000 0.915 239 F CB 1.060 40.019 39.000 -0.068 0.000 1.176 239 F HN 0.143 nan 8.300 nan 0.000 0.440 240 Y N 5.861 125.895 120.300 -0.442 0.000 2.535 240 Y HA 0.343 4.891 4.550 -0.003 0.000 0.349 240 Y C 0.396 176.117 175.900 -0.298 0.000 0.992 240 Y CA -0.511 57.426 58.100 -0.272 0.000 1.248 240 Y CB 0.547 38.869 38.460 -0.230 0.000 1.124 240 Y HN 0.399 nan 8.280 nan 0.000 0.520 241 K N 1.254 121.676 120.400 0.036 0.000 2.180 241 K HA 0.347 4.665 4.320 -0.003 0.000 0.251 241 K C 1.079 177.710 176.600 0.051 0.000 1.014 241 K CA 0.182 56.528 56.287 0.099 0.000 0.913 241 K CB 0.792 33.379 32.500 0.145 0.000 1.008 241 K HN 0.746 nan 8.250 nan 0.000 0.490 242 A N 1.997 124.844 122.820 0.045 0.000 1.940 242 A HA -0.245 4.073 4.320 -0.003 0.000 0.219 242 A C 1.592 179.189 177.584 0.021 0.000 1.176 242 A CA 2.309 54.360 52.037 0.023 0.000 0.631 242 A CB -0.793 18.218 19.000 0.019 0.000 0.814 242 A HN 0.935 nan 8.150 nan 0.000 0.446 243 D N -1.912 118.505 120.400 0.027 0.000 2.104 243 D HA 0.195 4.832 4.640 -0.003 0.000 0.194 243 D C 1.372 177.687 176.300 0.025 0.000 0.994 243 D CA 1.811 55.823 54.000 0.021 0.000 0.830 243 D CB -0.479 40.333 40.800 0.020 0.000 0.959 243 D HN 0.798 nan 8.370 nan 0.000 0.452 244 G N -1.863 106.961 108.800 0.041 0.000 2.870 244 G HA2 0.129 4.087 3.960 -0.003 0.000 0.216 244 G HA3 0.129 4.087 3.960 -0.003 0.000 0.216 244 G C 0.179 175.125 174.900 0.076 0.000 0.973 244 G CA 0.238 45.370 45.100 0.054 0.000 0.807 244 G HN 0.728 nan 8.290 nan 0.000 0.573 245 E N 0.524 120.759 120.200 0.058 0.000 2.319 245 E HA 0.817 5.165 4.350 -0.003 0.000 0.268 245 E C 0.702 177.310 176.600 0.013 0.000 1.050 245 E CA 0.364 56.788 56.400 0.040 0.000 0.878 245 E CB 1.274 30.988 29.700 0.024 0.000 1.066 245 E HN 0.811 nan 8.360 nan 0.000 0.406 246 S N -0.899 114.774 115.700 -0.045 0.000 2.484 246 S HA 0.550 5.018 4.470 -0.003 0.000 0.256 246 S C -0.168 174.356 174.600 -0.126 0.000 1.223 246 S CA 0.404 58.475 58.200 -0.215 0.000 1.002 246 S CB 0.378 63.464 63.200 -0.190 0.000 1.043 246 S HN 1.399 nan 8.310 nan 0.000 0.517 247 c N 0.621 119.144 118.600 -0.129 0.000 3.178 247 c HA 0.330 4.898 4.570 -0.003 0.000 0.443 247 c C -0.623 173.451 174.090 -0.026 0.000 0.915 247 c CA -0.761 55.549 56.329 -0.032 0.000 1.192 247 c CB -0.107 42.438 42.510 0.059 0.000 1.649 247 c HN 0.767 nan 8.230 nan 0.000 0.631 248 S N 3.473 119.160 115.700 -0.022 0.000 2.416 248 S HA 0.729 5.197 4.470 -0.003 0.000 0.287 248 S C 0.176 174.774 174.600 -0.004 0.000 1.139 248 S CA 0.477 58.671 58.200 -0.011 0.000 1.058 248 S CB 0.198 63.392 63.200 -0.011 0.000 0.967 248 S HN 1.435 nan 8.310 nan 0.000 0.495 249 A N 4.094 126.925 122.820 0.018 0.000 2.354 249 A HA 0.758 5.076 4.320 -0.003 0.000 0.321 249 A C -0.137 177.468 177.584 0.036 0.000 1.125 249 A CA -0.732 51.309 52.037 0.008 0.000 0.799 249 A CB 1.388 20.382 19.000 -0.009 0.000 1.293 249 A HN 0.650 nan 8.150 nan 0.000 0.452 250 S N 1.003 116.721 115.700 0.030 0.000 2.416 250 S HA 0.381 4.849 4.470 -0.003 0.000 0.287 250 S C -0.253 174.385 174.600 0.064 0.000 1.139 250 S CA -0.064 58.161 58.200 0.042 0.000 1.058 250 S CB -0.050 63.166 63.200 0.026 0.000 0.967 250 S HN 0.569 nan 8.310 nan 0.000 0.495 251 M N 4.882 124.536 119.600 0.090 0.000 2.113 251 M HA 0.434 4.912 4.480 -0.003 0.000 0.352 251 M C -0.527 175.840 176.300 0.110 0.000 1.170 251 M CA -0.007 55.371 55.300 0.129 0.000 1.053 251 M CB 0.404 33.116 32.600 0.187 0.000 1.601 251 M HN 0.548 nan 8.290 nan 0.000 0.459 252 M N 3.718 123.335 119.600 0.029 0.000 2.359 252 M HA 0.409 4.887 4.480 -0.003 0.000 0.322 252 M C -1.148 175.247 176.300 0.159 0.000 1.166 252 M CA -0.506 54.775 55.300 -0.031 0.000 1.067 252 M CB 1.325 33.617 32.600 -0.513 0.000 1.523 252 M HN 0.664 nan 8.290 nan 0.000 0.467 253 Y N 1.132 121.530 120.300 0.163 0.000 2.544 253 Y HA 0.517 5.065 4.550 -0.004 0.000 0.342 253 Y C -1.467 174.520 175.900 0.146 0.000 1.062 253 Y CA -0.560 57.581 58.100 0.070 0.000 1.023 253 Y CB 1.659 40.044 38.460 -0.126 0.000 1.308 253 Y HN 0.763 nan 8.280 nan 0.000 0.457 254 Q N 2.399 121.594 119.800 -1.008 0.000 2.756 254 Q HA 0.536 4.874 4.340 -0.003 0.000 0.295 254 Q C -2.206 173.297 176.000 -0.830 0.000 0.903 254 Q CA -1.212 54.102 55.803 -0.816 0.000 0.768 254 Q CB 2.456 30.810 28.738 -0.640 0.000 1.472 254 Q HN 0.709 nan 8.270 nan 0.000 0.416 255 E N -0.277 119.658 120.200 -0.441 0.000 2.266 255 E HA 0.839 5.187 4.350 -0.003 0.000 0.268 255 E C -0.680 175.845 176.600 -0.125 0.000 0.879 255 E CA -0.896 55.364 56.400 -0.233 0.000 0.762 255 E CB 2.253 31.868 29.700 -0.141 0.000 1.199 255 E HN 0.873 nan 8.360 nan 0.000 0.422 256 G N 1.250 110.018 108.800 -0.052 0.000 2.340 256 G HA2 0.228 4.185 3.960 -0.003 0.000 0.299 256 G HA3 0.228 4.185 3.960 -0.003 0.000 0.299 256 G C -1.612 173.054 174.900 -0.391 0.000 1.291 256 G CA -0.938 43.995 45.100 -0.277 0.000 0.841 256 G HN 0.281 nan 8.290 nan 0.000 0.500 257 K N -0.125 119.875 120.400 -0.666 0.000 2.211 257 K HA 0.696 5.014 4.320 -0.003 0.000 0.275 257 K C -1.420 174.689 176.600 -0.819 0.000 1.024 257 K CA -0.325 55.667 56.287 -0.492 0.000 0.887 257 K CB 0.621 32.927 32.500 -0.323 0.000 1.084 257 K HN 0.271 nan 8.250 nan 0.000 0.463 258 F N 1.206 121.090 119.950 -0.109 0.000 2.645 258 F HA 0.406 4.931 4.527 -0.004 0.000 0.310 258 F C -0.058 175.723 175.800 -0.033 0.000 1.102 258 F CA -1.098 56.842 58.000 -0.101 0.000 0.952 258 F CB 1.383 40.289 39.000 -0.157 0.000 1.326 258 F HN 0.200 nan 8.300 nan 0.000 0.456 259 R N 1.818 122.430 120.500 0.186 0.000 2.267 259 R HA 0.311 4.649 4.340 -0.003 0.000 0.319 259 R C -1.399 175.004 176.300 0.170 0.000 1.067 259 R CA -0.253 55.928 56.100 0.134 0.000 0.936 259 R CB 0.775 31.131 30.300 0.093 0.000 1.006 259 R HN 0.769 nan 8.270 nan 0.000 0.452 260 Y N 1.802 122.116 120.300 0.023 0.000 2.634 260 Y HA 0.583 5.131 4.550 -0.004 0.000 0.340 260 Y C -1.069 174.835 175.900 0.006 0.000 1.058 260 Y CA -1.272 56.830 58.100 0.003 0.000 1.081 260 Y CB 2.179 40.647 38.460 0.013 0.000 1.295 260 Y HN 0.562 nan 8.280 nan 0.000 0.487 261 R N 2.794 122.692 120.500 -1.004 0.000 2.764 261 R HA 0.312 4.650 4.340 -0.003 0.000 0.250 261 R C -2.320 173.478 176.300 -0.838 0.000 1.122 261 R CA -0.630 55.068 56.100 -0.671 0.000 1.022 261 R CB 1.062 31.171 30.300 -0.318 0.000 1.266 261 R HN 0.838 nan 8.270 nan 0.000 0.454 262 R N 4.416 124.630 120.500 -0.478 0.000 2.229 262 R HA 0.513 4.851 4.340 -0.003 0.000 0.332 262 R C 0.036 176.165 176.300 -0.285 0.000 0.989 262 R CA -0.495 55.415 56.100 -0.317 0.000 0.842 262 R CB 0.816 31.077 30.300 -0.065 0.000 1.119 262 R HN 0.530 nan 8.270 nan 0.000 0.456 263 V N 1.747 121.417 119.914 -0.406 0.000 3.859 263 V HA 0.701 4.819 4.120 -0.003 0.000 0.277 263 V C 0.423 176.391 176.094 -0.211 0.000 1.173 263 V CA -0.660 61.397 62.300 -0.405 0.000 0.872 263 V CB 0.343 31.611 31.823 -0.925 0.000 1.240 263 V HN 0.817 nan 8.190 nan 0.000 0.437 264 A N -0.294 122.463 122.820 -0.104 0.000 2.540 264 A HA 0.300 4.618 4.320 -0.003 0.000 0.239 264 A C 0.757 178.336 177.584 -0.008 0.000 1.061 264 A CA 0.815 52.857 52.037 0.008 0.000 0.758 264 A CB -1.085 17.988 19.000 0.122 0.000 0.991 264 A HN 1.207 nan 8.150 nan 0.000 0.502 265 E N 0.589 120.788 120.200 -0.001 0.000 2.791 265 E HA -0.267 4.080 4.350 -0.003 0.000 0.271 265 E C 0.955 177.537 176.600 -0.029 0.000 1.044 265 E CA 1.013 57.410 56.400 -0.003 0.000 0.814 265 E CB -1.947 27.765 29.700 0.021 0.000 1.400 265 E HN 2.285 nan 8.360 nan 0.000 0.423 266 G N -0.282 108.487 108.800 -0.053 0.000 2.155 266 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.257 266 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.257 266 G C 0.347 175.191 174.900 -0.092 0.000 0.983 266 G CA 0.773 45.835 45.100 -0.064 0.000 0.676 266 G HN 0.286 nan 8.290 nan 0.000 0.528 267 T N 1.295 115.770 114.554 -0.132 0.000 2.870 267 T HA 0.441 4.789 4.350 -0.003 0.000 0.300 267 T C 0.492 175.048 174.700 -0.240 0.000 0.989 267 T CA 0.308 62.310 62.100 -0.163 0.000 1.139 267 T CB 0.954 69.709 68.868 -0.189 0.000 0.920 267 T HN 0.450 nan 8.240 nan 0.000 0.537 268 Q N 1.802 121.517 119.800 -0.143 0.000 2.256 268 Q HA 0.590 4.928 4.340 -0.003 0.000 0.257 268 Q C -0.951 175.055 176.000 0.010 0.000 0.936 268 Q CA -0.827 54.915 55.803 -0.103 0.000 0.903 268 Q CB 1.944 30.735 28.738 0.088 0.000 1.263 268 Q HN 0.365 nan 8.270 nan 0.000 0.440 269 V N 3.485 123.289 119.914 -0.183 0.000 2.448 269 V HA 0.501 4.619 4.120 -0.003 0.000 0.295 269 V C -0.905 175.115 176.094 -0.124 0.000 1.025 269 V CA -0.754 61.497 62.300 -0.083 0.000 0.859 269 V CB 1.574 33.297 31.823 -0.166 0.000 0.988 269 V HN 0.548 nan 8.190 nan 0.000 0.431 270 L N 3.829 124.973 121.223 -0.131 0.000 2.401 270 L HA 0.685 5.022 4.340 -0.003 0.000 0.266 270 L C -0.645 176.124 176.870 -0.168 0.000 0.991 270 L CA -0.199 54.460 54.840 -0.301 0.000 0.818 270 L CB 2.199 43.643 42.059 -1.024 0.000 1.321 270 L HN 0.805 nan 8.230 nan 0.000 0.413 271 E N 3.726 123.872 120.200 -0.090 0.000 2.185 271 E HA 0.532 4.880 4.350 -0.003 0.000 0.261 271 E C -1.818 174.780 176.600 -0.004 0.000 0.879 271 E CA -0.669 55.735 56.400 0.007 0.000 0.756 271 E CB 1.130 30.878 29.700 0.081 0.000 1.152 271 E HN 0.563 nan 8.360 nan 0.000 0.416 272 L N 7.368 128.561 121.223 -0.049 0.000 2.277 272 L HA 0.426 4.764 4.340 -0.003 0.000 0.284 272 L C -2.217 174.642 176.870 -0.018 0.000 1.028 272 L CA -1.943 52.835 54.840 -0.104 0.000 0.835 272 L CB 1.020 42.821 42.059 -0.431 0.000 1.215 272 L HN 0.439 nan 8.230 nan 0.000 0.425 273 P HA 0.236 nan 4.420 nan 0.000 0.278 273 P C -0.662 176.686 177.300 0.079 0.000 1.238 273 P CA -0.306 62.843 63.100 0.083 0.000 0.794 273 P CB 0.849 32.620 31.700 0.118 0.000 0.955 274 F N 0.596 120.752 119.950 0.344 0.000 2.380 274 F HA 0.345 4.870 4.527 -0.003 0.000 0.321 274 F C 1.655 177.571 175.800 0.194 0.000 1.103 274 F CA -0.573 57.604 58.000 0.295 0.000 1.067 274 F CB 0.486 39.632 39.000 0.243 0.000 1.265 274 F HN 0.204 nan 8.300 nan 0.000 0.517 275 K N 0.588 121.193 120.400 0.342 0.000 2.472 275 K HA 0.305 4.623 4.320 -0.003 0.000 0.280 275 K C 0.803 177.512 176.600 0.182 0.000 1.028 275 K CA 1.239 57.648 56.287 0.203 0.000 1.045 275 K CB -0.245 32.343 32.500 0.145 0.000 0.902 275 K HN 0.856 nan 8.250 nan 0.000 0.478 276 G N 3.216 112.098 108.800 0.138 0.000 2.391 276 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.204 276 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.204 276 G C 0.280 175.252 174.900 0.119 0.000 1.012 276 G CA 0.174 45.345 45.100 0.118 0.000 0.651 276 G HN 0.861 nan 8.290 nan 0.000 0.494 277 D N -0.210 120.283 120.400 0.155 0.000 2.653 277 D HA -0.157 4.481 4.640 -0.003 0.000 0.184 277 D C 0.781 177.171 176.300 0.151 0.000 0.993 277 D CA 1.577 55.660 54.000 0.140 0.000 1.027 277 D CB -1.298 39.555 40.800 0.088 0.000 1.089 277 D HN 0.526 nan 8.370 nan 0.000 0.447 278 D N 0.023 120.514 120.400 0.152 0.000 2.224 278 D HA 0.015 4.653 4.640 -0.003 0.000 0.205 278 D C 0.832 177.240 176.300 0.181 0.000 0.965 278 D CA 0.690 54.774 54.000 0.139 0.000 0.852 278 D CB 0.434 41.302 40.800 0.112 0.000 0.947 278 D HN 0.286 nan 8.370 nan 0.000 0.494 279 I N 0.493 121.217 120.570 0.258 0.000 2.406 279 I HA 0.153 4.321 4.170 -0.003 0.000 0.290 279 I C 0.410 176.861 176.117 0.556 0.000 0.999 279 I CA -0.403 61.099 61.300 0.336 0.000 1.124 279 I CB 1.970 40.143 38.000 0.288 0.000 1.289 279 I HN -0.215 nan 8.210 nan 0.000 0.441 280 T N 3.380 118.231 114.554 0.496 0.000 2.865 280 T HA 0.726 5.074 4.350 -0.003 0.000 0.294 280 T C -0.604 174.403 174.700 0.512 0.000 1.119 280 T CA -0.899 61.478 62.100 0.463 0.000 1.007 280 T CB 1.621 70.645 68.868 0.260 0.000 1.225 280 T HN 0.507 nan 8.240 nan 0.000 0.515 281 M N 2.206 122.029 119.600 0.372 0.000 2.364 281 M HA 0.688 5.166 4.480 -0.003 0.000 0.334 281 M C -1.903 174.579 176.300 0.303 0.000 1.107 281 M CA -0.797 54.764 55.300 0.434 0.000 0.988 281 M CB 1.526 34.418 32.600 0.487 0.000 1.673 281 M HN 0.582 nan 8.290 nan 0.000 0.441 282 V N 6.323 126.456 119.914 0.364 0.000 2.448 282 V HA 0.480 4.598 4.120 -0.003 0.000 0.295 282 V C -0.493 175.813 176.094 0.353 0.000 1.025 282 V CA -0.701 61.791 62.300 0.320 0.000 0.859 282 V CB 1.673 33.727 31.823 0.385 0.000 0.988 282 V HN 0.806 nan 8.190 nan 0.000 0.431 283 L N 5.729 127.081 121.223 0.216 0.000 2.307 283 L HA 0.632 4.970 4.340 -0.003 0.000 0.284 283 L C -0.990 176.096 176.870 0.360 0.000 1.023 283 L CA -0.637 54.373 54.840 0.283 0.000 0.810 283 L CB 1.879 43.997 42.059 0.099 0.000 1.231 283 L HN 0.452 nan 8.230 nan 0.000 0.423 284 I N 4.354 125.177 120.570 0.422 0.000 2.382 284 I HA 0.308 4.476 4.170 -0.003 0.000 0.285 284 I C -0.608 175.705 176.117 0.327 0.000 1.007 284 I CA -0.136 61.386 61.300 0.369 0.000 1.142 284 I CB 1.688 39.945 38.000 0.428 0.000 1.289 284 I HN 0.319 nan 8.210 nan 0.000 0.453 285 L N 10.419 131.773 121.223 0.218 0.000 2.318 285 L HA 0.703 5.041 4.340 -0.003 0.000 0.277 285 L C -2.451 174.416 176.870 -0.005 0.000 1.008 285 L CA -1.761 53.117 54.840 0.065 0.000 0.846 285 L CB 1.191 43.095 42.059 -0.259 0.000 1.220 285 L HN 0.288 nan 8.230 nan 0.000 0.423 286 P HA 0.186 nan 4.420 nan 0.000 0.276 286 P C -0.990 176.285 177.300 -0.041 0.000 1.252 286 P CA -0.552 62.549 63.100 0.002 0.000 0.802 286 P CB 0.955 32.680 31.700 0.041 0.000 1.035 287 K N 1.692 122.065 120.400 -0.046 0.000 2.380 287 K HA 0.034 4.352 4.320 -0.003 0.000 0.267 287 K C -1.526 175.035 176.600 -0.065 0.000 0.990 287 K CA -0.968 55.282 56.287 -0.061 0.000 0.946 287 K CB -0.604 31.866 32.500 -0.050 0.000 0.937 287 K HN 0.297 nan 8.250 nan 0.000 0.491 288 P HA -0.209 nan 4.420 nan 0.000 0.218 288 P C 0.141 177.394 177.300 -0.079 0.000 1.146 288 P CA 1.409 64.448 63.100 -0.102 0.000 0.820 288 P CB 0.269 31.890 31.700 -0.131 0.000 0.778 289 E N -0.557 119.606 120.200 -0.061 0.000 2.033 289 E HA -0.038 4.310 4.350 -0.003 0.000 0.189 289 E C 0.907 177.490 176.600 -0.028 0.000 0.979 289 E CA 0.693 57.066 56.400 -0.045 0.000 0.802 289 E CB -0.554 29.123 29.700 -0.038 0.000 0.763 289 E HN 0.145 nan 8.360 nan 0.000 0.449 290 K N 2.018 122.406 120.400 -0.019 0.000 2.379 290 K HA 0.106 4.424 4.320 -0.003 0.000 0.284 290 K C -0.242 176.361 176.600 0.005 0.000 1.044 290 K CA -0.159 56.128 56.287 -0.001 0.000 0.974 290 K CB 0.528 33.035 32.500 0.012 0.000 0.962 290 K HN 0.136 nan 8.250 nan 0.000 0.474 291 S N 3.600 119.306 115.700 0.010 0.000 2.585 291 S HA 0.017 4.485 4.470 -0.003 0.000 0.273 291 S C 1.109 175.730 174.600 0.036 0.000 1.339 291 S CA -0.787 57.422 58.200 0.015 0.000 1.028 291 S CB 1.039 64.246 63.200 0.012 0.000 0.906 291 S HN 0.663 nan 8.310 nan 0.000 0.528 292 L N 2.659 123.907 121.223 0.042 0.000 2.046 292 L HA 0.090 4.428 4.340 -0.003 0.000 0.208 292 L C 2.697 179.611 176.870 0.074 0.000 1.077 292 L CA 2.311 57.191 54.840 0.067 0.000 0.747 292 L CB -1.673 40.423 42.059 0.062 0.000 0.896 292 L HN 0.981 nan 8.230 nan 0.000 0.432 293 A N -1.049 121.802 122.820 0.052 0.000 1.948 293 A HA -0.277 4.040 4.320 -0.003 0.000 0.220 293 A C 2.504 180.118 177.584 0.051 0.000 1.177 293 A CA 2.147 54.212 52.037 0.047 0.000 0.636 293 A CB -0.696 18.316 19.000 0.020 0.000 0.815 293 A HN 0.343 nan 8.150 nan 0.000 0.449 294 K N -1.232 119.196 120.400 0.048 0.000 2.057 294 K HA -0.015 4.303 4.320 -0.003 0.000 0.206 294 K C 2.078 178.721 176.600 0.072 0.000 1.050 294 K CA 1.245 57.561 56.287 0.048 0.000 0.935 294 K CB -0.791 31.733 32.500 0.041 0.000 0.715 294 K HN 0.421 nan 8.250 nan 0.000 0.439 295 V N 1.239 121.211 119.914 0.096 0.000 2.427 295 V HA -0.169 3.949 4.120 -0.003 0.000 0.248 295 V C 2.242 178.411 176.094 0.125 0.000 1.051 295 V CA 1.801 64.183 62.300 0.136 0.000 1.048 295 V CB -0.504 31.426 31.823 0.178 0.000 0.666 295 V HN 0.524 nan 8.190 nan 0.000 0.456 296 E N -0.088 120.186 120.200 0.123 0.000 2.153 296 E HA -0.250 4.098 4.350 -0.003 0.000 0.194 296 E C 2.222 178.889 176.600 0.113 0.000 0.988 296 E CA 1.256 57.745 56.400 0.147 0.000 0.811 296 E CB -0.057 29.771 29.700 0.214 0.000 0.746 296 E HN 0.572 nan 8.360 nan 0.000 0.466 297 K N 0.488 120.932 120.400 0.074 0.000 2.098 297 K HA -0.031 4.287 4.320 -0.003 0.000 0.203 297 K C 1.631 178.246 176.600 0.024 0.000 1.051 297 K CA 0.754 57.064 56.287 0.039 0.000 0.957 297 K CB 0.211 32.722 32.500 0.018 0.000 0.738 297 K HN 0.003 nan 8.250 nan 0.000 0.447 298 E N 0.456 120.676 120.200 0.034 0.000 2.502 298 E HA -0.026 4.322 4.350 -0.003 0.000 0.194 298 E C -0.494 176.099 176.600 -0.012 0.000 1.062 298 E CA -0.067 56.345 56.400 0.020 0.000 0.867 298 E CB 0.274 30.001 29.700 0.044 0.000 0.888 298 E HN -0.000 nan 8.360 nan 0.000 0.510 299 L N 1.203 122.415 121.223 -0.018 0.000 2.309 299 L HA 0.296 4.634 4.340 -0.003 0.000 0.282 299 L C -0.019 176.782 176.870 -0.116 0.000 1.036 299 L CA -0.120 54.658 54.840 -0.103 0.000 0.806 299 L CB 1.461 43.483 42.059 -0.062 0.000 1.220 299 L HN -0.092 nan 8.230 nan 0.000 0.429 300 T N 1.117 115.559 114.554 -0.187 0.000 2.907 300 T HA 0.594 4.942 4.350 -0.003 0.000 0.290 300 T C -2.297 172.282 174.700 -0.202 0.000 1.066 300 T CA -1.738 60.271 62.100 -0.152 0.000 1.012 300 T CB 1.680 70.475 68.868 -0.123 0.000 1.184 300 T HN 0.375 nan 8.240 nan 0.000 0.522 301 P HA -0.020 nan 4.420 nan 0.000 0.216 301 P C 1.106 178.302 177.300 -0.173 0.000 1.150 301 P CA 1.012 64.015 63.100 -0.163 0.000 0.837 301 P CB 0.091 31.729 31.700 -0.103 0.000 0.786 302 E N -0.696 119.412 120.200 -0.153 0.000 2.058 302 E HA -0.129 4.219 4.350 -0.003 0.000 0.194 302 E C 2.012 178.487 176.600 -0.208 0.000 0.997 302 E CA 1.092 57.407 56.400 -0.140 0.000 0.801 302 E CB -1.328 28.308 29.700 -0.108 0.000 0.746 302 E HN 0.027 nan 8.360 nan 0.000 0.450 303 V N 0.666 120.393 119.914 -0.312 0.000 2.427 303 V HA -0.179 3.939 4.120 -0.003 0.000 0.248 303 V C 2.189 177.818 176.094 -0.775 0.000 1.051 303 V CA 1.286 63.267 62.300 -0.533 0.000 1.048 303 V CB -0.417 31.021 31.823 -0.641 0.000 0.666 303 V HN 0.201 nan 8.190 nan 0.000 0.456 304 L N 0.358 121.217 121.223 -0.607 0.000 2.017 304 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 304 L C 2.485 179.234 176.870 -0.202 0.000 1.073 304 L CA 2.260 56.825 54.840 -0.458 0.000 0.745 304 L CB -0.742 41.081 42.059 -0.394 0.000 0.894 304 L HN 0.361 nan 8.230 nan 0.000 0.432 305 Q N -0.031 119.670 119.800 -0.166 0.000 2.170 305 Q HA -0.265 4.073 4.340 -0.003 0.000 0.203 305 Q C 2.172 178.166 176.000 -0.010 0.000 0.976 305 Q CA 2.099 57.867 55.803 -0.058 0.000 0.858 305 Q CB -0.298 28.415 28.738 -0.042 0.000 0.907 305 Q HN 0.698 nan 8.270 nan 0.000 0.433 306 E N -1.458 118.709 120.200 -0.054 0.000 2.072 306 E HA -0.161 4.187 4.350 -0.003 0.000 0.191 306 E C 1.193 177.900 176.600 0.179 0.000 0.985 306 E CA 1.098 57.513 56.400 0.025 0.000 0.801 306 E CB -0.120 29.562 29.700 -0.029 0.000 0.750 306 E HN 0.473 nan 8.360 nan 0.000 0.452 307 W N 0.819 122.112 121.300 -0.011 0.000 2.379 307 W HA -0.061 4.597 4.660 -0.004 0.000 0.307 307 W C 2.115 178.628 176.519 -0.010 0.000 1.200 307 W CA 0.469 57.806 57.345 -0.013 0.000 1.297 307 W CB -0.989 28.463 29.460 -0.013 0.000 1.140 307 W HN 0.157 nan 8.180 nan 0.000 0.507 308 L N -0.036 121.330 121.223 0.238 0.000 2.131 308 L HA -0.209 4.129 4.340 -0.003 0.000 0.210 308 L C 1.969 178.902 176.870 0.104 0.000 1.092 308 L CA 1.277 56.201 54.840 0.141 0.000 0.759 308 L CB -0.791 41.326 42.059 0.097 0.000 0.903 308 L HN -0.117 nan 8.230 nan 0.000 0.435 309 D N 0.435 120.894 120.400 0.099 0.000 2.149 309 D HA -0.137 4.501 4.640 -0.003 0.000 0.201 309 D C 2.269 178.612 176.300 0.073 0.000 0.972 309 D CA 1.550 55.595 54.000 0.075 0.000 0.835 309 D CB 0.119 40.959 40.800 0.066 0.000 0.966 309 D HN 0.460 nan 8.370 nan 0.000 0.476 310 E N 0.595 120.849 120.200 0.089 0.000 2.502 310 E HA 0.097 4.445 4.350 -0.003 0.000 0.194 310 E C 1.245 177.872 176.600 0.045 0.000 1.062 310 E CA -0.080 56.360 56.400 0.068 0.000 0.867 310 E CB -0.701 29.047 29.700 0.080 0.000 0.888 310 E HN 0.247 nan 8.360 nan 0.000 0.510 311 L N 1.657 122.908 121.223 0.048 0.000 2.490 311 L HA 0.185 4.523 4.340 -0.003 0.000 0.274 311 L C 0.332 177.231 176.870 0.049 0.000 1.201 311 L CA 0.184 55.044 54.840 0.034 0.000 0.869 311 L CB 0.652 42.738 42.059 0.046 0.000 1.123 311 L HN 0.377 nan 8.230 nan 0.000 0.484 312 E N 2.355 122.595 120.200 0.065 0.000 2.207 312 E HA 0.368 4.716 4.350 -0.003 0.000 0.270 312 E C -1.098 175.554 176.600 0.087 0.000 0.927 312 E CA -0.823 55.619 56.400 0.070 0.000 0.799 312 E CB 1.968 31.712 29.700 0.074 0.000 1.172 312 E HN 0.467 nan 8.360 nan 0.000 0.404 313 E N 2.886 123.119 120.200 0.054 0.000 2.289 313 E HA 0.340 4.688 4.350 -0.003 0.000 0.278 313 E C -0.323 176.294 176.600 0.027 0.000 1.032 313 E CA -0.023 56.399 56.400 0.037 0.000 0.854 313 E CB 0.738 30.438 29.700 0.001 0.000 1.046 313 E HN 0.389 nan 8.360 nan 0.000 0.409 314 M N 0.238 119.851 119.600 0.021 0.000 2.732 314 M HA 0.411 4.889 4.480 -0.003 0.000 0.272 314 M C -1.351 174.932 176.300 -0.028 0.000 1.203 314 M CA -1.084 54.214 55.300 -0.004 0.000 0.841 314 M CB 1.387 33.994 32.600 0.012 0.000 1.685 314 M HN 0.175 nan 8.290 nan 0.000 0.492 315 M N 3.245 122.817 119.600 -0.046 0.000 2.200 315 M HA 0.598 5.076 4.480 -0.003 0.000 0.355 315 M C -0.937 175.335 176.300 -0.046 0.000 1.283 315 M CA -0.089 55.178 55.300 -0.054 0.000 1.124 315 M CB 0.328 32.895 32.600 -0.055 0.000 1.625 315 M HN 0.761 nan 8.290 nan 0.000 0.463 316 L N 2.582 123.793 121.223 -0.020 0.000 2.720 316 L HA 0.791 5.129 4.340 -0.003 0.000 0.261 316 L C -1.120 175.714 176.870 -0.059 0.000 1.046 316 L CA -1.204 53.600 54.840 -0.060 0.000 0.886 316 L CB 1.153 43.124 42.059 -0.147 0.000 1.493 316 L HN 0.732 nan 8.230 nan 0.000 0.407 317 c N -0.385 118.167 118.600 -0.080 0.000 2.376 317 c HA 0.959 5.527 4.570 -0.003 0.000 0.335 317 c C 0.001 173.990 174.090 -0.167 0.000 1.229 317 c CA -1.014 55.211 56.329 -0.174 0.000 1.867 317 c CB 0.643 43.153 42.510 -0.000 0.000 2.319 317 c HN 0.644 nan 8.230 nan 0.000 0.515 318 V N 2.995 122.689 119.914 -0.367 0.000 2.487 318 V HA 0.437 4.555 4.120 -0.003 0.000 0.298 318 V C -0.422 175.600 176.094 -0.120 0.000 1.028 318 V CA -0.173 62.011 62.300 -0.194 0.000 0.860 318 V CB 1.034 32.617 31.823 -0.399 0.000 0.991 318 V HN 0.909 nan 8.190 nan 0.000 0.427 319 H N 5.901 125.086 119.070 0.192 0.000 2.595 319 H HA 0.581 5.135 4.556 -0.004 0.000 0.313 319 H C -0.689 174.738 175.328 0.165 0.000 1.023 319 H CA -0.264 55.922 56.048 0.230 0.000 1.218 319 H CB 1.887 31.776 29.762 0.212 0.000 1.403 319 H HN 0.508 nan 8.280 nan 0.000 0.477 320 M N 5.539 125.246 119.600 0.179 0.000 2.386 320 M HA 0.319 4.797 4.480 -0.003 0.000 0.293 320 M C -2.912 173.449 176.300 0.102 0.000 1.120 320 M CA -1.808 53.556 55.300 0.107 0.000 0.909 320 M CB 3.439 36.040 32.600 0.002 0.000 1.661 320 M HN 0.257 nan 8.290 nan 0.000 0.452 321 P HA 0.233 nan 4.420 nan 0.000 0.278 321 P C -1.594 175.878 177.300 0.286 0.000 1.238 321 P CA -0.316 62.913 63.100 0.215 0.000 0.794 321 P CB 0.511 32.328 31.700 0.196 0.000 0.955 322 R N 3.019 123.599 120.500 0.133 0.000 2.357 322 R HA 0.639 4.976 4.340 -0.003 0.000 0.296 322 R C -0.453 175.935 176.300 0.147 0.000 1.052 322 R CA -0.373 55.760 56.100 0.054 0.000 0.988 322 R CB 0.103 30.380 30.300 -0.039 0.000 1.025 322 R HN 0.448 nan 8.270 nan 0.000 0.469 323 F N -1.156 118.759 119.950 -0.057 0.000 2.715 323 F HA 0.638 5.163 4.527 -0.003 0.000 0.318 323 F C -1.205 174.498 175.800 -0.161 0.000 1.141 323 F CA -1.637 56.296 58.000 -0.113 0.000 0.950 323 F CB 1.656 40.576 39.000 -0.134 0.000 1.374 323 F HN 0.532 nan 8.300 nan 0.000 0.477 324 R N 1.470 121.956 120.500 -0.024 0.000 2.574 324 R HA 0.785 5.123 4.340 -0.003 0.000 0.288 324 R C -2.158 174.011 176.300 -0.220 0.000 1.004 324 R CA -0.697 55.255 56.100 -0.247 0.000 0.895 324 R CB 1.939 32.119 30.300 -0.200 0.000 1.191 324 R HN 0.873 nan 8.270 nan 0.000 0.444 325 I N 3.822 124.129 120.570 -0.438 0.000 2.468 325 I HA 0.219 4.387 4.170 -0.003 0.000 0.285 325 I C -0.785 175.087 176.117 -0.409 0.000 1.039 325 I CA -0.582 60.541 61.300 -0.295 0.000 1.074 325 I CB 2.112 40.009 38.000 -0.172 0.000 1.228 325 I HN 0.622 nan 8.210 nan 0.000 0.436 326 E N 4.109 124.200 120.200 -0.182 0.000 2.255 326 E HA 0.428 4.776 4.350 -0.003 0.000 0.245 326 E C -1.432 175.278 176.600 0.183 0.000 0.909 326 E CA -0.754 55.670 56.400 0.041 0.000 0.747 326 E CB 1.535 31.366 29.700 0.218 0.000 1.215 326 E HN 0.326 nan 8.360 nan 0.000 0.424 327 D N 2.960 123.531 120.400 0.284 0.000 2.344 327 D HA 0.487 5.125 4.640 -0.003 0.000 0.239 327 D C -0.720 175.840 176.300 0.433 0.000 1.064 327 D CA -0.448 53.767 54.000 0.359 0.000 0.829 327 D CB 1.543 42.585 40.800 0.404 0.000 1.129 327 D HN 0.566 nan 8.370 nan 0.000 0.506 328 G N 2.045 111.095 108.800 0.416 0.000 2.524 328 G HA2 0.743 4.700 3.960 -0.003 0.000 0.310 328 G HA3 0.743 4.700 3.960 -0.003 0.000 0.310 328 G C -1.243 173.942 174.900 0.476 0.000 1.279 328 G CA -0.835 44.446 45.100 0.300 0.000 0.974 328 G HN 0.411 nan 8.290 nan 0.000 0.484 329 F N -0.735 119.397 119.950 0.303 0.000 2.770 329 F HA 0.730 5.255 4.527 -0.003 0.000 0.313 329 F C -0.405 175.594 175.800 0.331 0.000 1.154 329 F CA -1.558 56.617 58.000 0.293 0.000 0.923 329 F CB 1.245 40.377 39.000 0.221 0.000 1.301 329 F HN 0.566 nan 8.300 nan 0.000 0.449 330 S N 0.852 116.780 115.700 0.380 0.000 2.548 330 S HA 0.470 4.938 4.470 -0.003 0.000 0.277 330 S C 0.408 175.119 174.600 0.186 0.000 1.315 330 S CA -0.599 57.629 58.200 0.047 0.000 1.050 330 S CB 0.547 63.730 63.200 -0.029 0.000 0.918 330 S HN 0.728 nan 8.310 nan 0.000 0.497 331 L N 4.724 126.002 121.223 0.091 0.000 2.446 331 L HA 0.172 4.510 4.340 -0.003 0.000 0.219 331 L C 2.460 179.396 176.870 0.110 0.000 1.116 331 L CA 0.255 55.261 54.840 0.275 0.000 0.844 331 L CB -0.339 41.916 42.059 0.326 0.000 0.970 331 L HN 0.721 nan 8.230 nan 0.000 0.457 332 K N 1.045 121.362 120.400 -0.138 0.000 2.015 332 K HA -0.313 4.004 4.320 -0.003 0.000 0.216 332 K C 2.043 178.413 176.600 -0.383 0.000 1.052 332 K CA 2.227 58.192 56.287 -0.537 0.000 0.937 332 K CB -0.082 32.035 32.500 -0.638 0.000 0.719 332 K HN 0.282 nan 8.250 nan 0.000 0.446 333 E N -0.094 119.989 120.200 -0.194 0.000 2.058 333 E HA -0.268 4.080 4.350 -0.003 0.000 0.194 333 E C 2.206 178.751 176.600 -0.092 0.000 0.997 333 E CA 1.529 57.853 56.400 -0.126 0.000 0.801 333 E CB 0.041 29.699 29.700 -0.071 0.000 0.746 333 E HN 0.279 nan 8.360 nan 0.000 0.450 334 Q N 0.541 120.305 119.800 -0.059 0.000 2.002 334 Q HA -0.147 4.191 4.340 -0.003 0.000 0.204 334 Q C 2.312 178.239 176.000 -0.121 0.000 0.988 334 Q CA 1.597 57.329 55.803 -0.119 0.000 0.843 334 Q CB -0.323 28.327 28.738 -0.147 0.000 0.908 334 Q HN 0.326 nan 8.270 nan 0.000 0.420 335 L N 0.082 121.318 121.223 0.021 0.000 2.043 335 L HA -0.300 4.038 4.340 -0.003 0.000 0.212 335 L C 2.485 179.356 176.870 0.003 0.000 1.075 335 L CA 1.556 56.405 54.840 0.015 0.000 0.752 335 L CB -0.545 41.580 42.059 0.110 0.000 0.891 335 L HN 0.366 nan 8.230 nan 0.000 0.432 336 Q N -0.122 119.685 119.800 0.012 0.000 2.084 336 Q HA -0.235 4.103 4.340 -0.003 0.000 0.202 336 Q C 1.803 177.790 176.000 -0.021 0.000 0.978 336 Q CA 1.844 57.672 55.803 0.042 0.000 0.844 336 Q CB -0.183 28.553 28.738 -0.003 0.000 0.898 336 Q HN 0.464 nan 8.270 nan 0.000 0.426 337 D N 0.051 120.412 120.400 -0.066 0.000 2.221 337 D HA -0.121 4.517 4.640 -0.003 0.000 0.204 337 D C 1.254 177.486 176.300 -0.113 0.000 0.982 337 D CA 1.111 55.077 54.000 -0.056 0.000 0.857 337 D CB 0.081 40.870 40.800 -0.018 0.000 0.934 337 D HN 0.204 nan 8.370 nan 0.000 0.475 338 M N -1.479 117.972 119.600 -0.248 0.000 2.561 338 M HA 0.188 4.666 4.480 -0.003 0.000 0.238 338 M C 1.135 177.356 176.300 -0.132 0.000 1.131 338 M CA 0.430 55.562 55.300 -0.279 0.000 1.046 338 M CB 0.888 33.258 32.600 -0.382 0.000 1.532 338 M HN 0.187 nan 8.290 nan 0.000 0.497 339 G N 0.694 109.449 108.800 -0.075 0.000 2.231 339 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.206 339 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.206 339 G C -0.228 174.660 174.900 -0.019 0.000 0.996 339 G CA -0.612 44.464 45.100 -0.040 0.000 0.645 339 G HN 0.280 nan 8.290 nan 0.000 0.498 340 L N 2.650 123.869 121.223 -0.008 0.000 2.401 340 L HA 0.647 4.985 4.340 -0.003 0.000 0.283 340 L C 1.301 178.278 176.870 0.177 0.000 1.151 340 L CA 0.319 55.188 54.840 0.049 0.000 0.942 340 L CB 0.944 43.039 42.059 0.059 0.000 1.283 340 L HN 0.037 nan 8.230 nan 0.000 0.442 341 V N 2.484 122.464 119.914 0.110 0.000 2.721 341 V HA 0.017 4.135 4.120 -0.003 0.000 0.236 341 V C 1.448 177.615 176.094 0.122 0.000 1.116 341 V CA 0.737 63.127 62.300 0.150 0.000 1.148 341 V CB -0.103 31.768 31.823 0.080 0.000 0.886 341 V HN 0.598 nan 8.190 nan 0.000 0.490 342 D N 0.716 121.144 120.400 0.046 0.000 2.182 342 D HA -0.189 4.449 4.640 -0.003 0.000 0.201 342 D C 1.828 178.125 176.300 -0.006 0.000 0.986 342 D CA 1.058 55.071 54.000 0.021 0.000 0.847 342 D CB -0.257 40.547 40.800 0.007 0.000 0.942 342 D HN 0.271 nan 8.370 nan 0.000 0.467 343 L N -0.556 120.607 121.223 -0.100 0.000 2.083 343 L HA -0.111 4.227 4.340 -0.003 0.000 0.209 343 L C 1.304 178.049 176.870 -0.208 0.000 1.083 343 L CA 1.560 56.258 54.840 -0.236 0.000 0.752 343 L CB -0.325 41.455 42.059 -0.466 0.000 0.899 343 L HN -0.035 nan 8.230 nan 0.000 0.433 344 F N -1.712 118.330 119.950 0.153 0.000 2.765 344 F HA 0.264 4.789 4.527 -0.004 0.000 0.302 344 F C 1.370 177.250 175.800 0.134 0.000 1.111 344 F CA 0.042 58.157 58.000 0.192 0.000 1.359 344 F CB -0.548 38.533 39.000 0.135 0.000 1.097 344 F HN -0.020 nan 8.300 nan 0.000 0.577 345 S N 1.138 116.928 115.700 0.151 0.000 2.438 345 S HA 0.275 4.743 4.470 -0.003 0.000 0.293 345 S C -1.696 172.744 174.600 -0.267 0.000 1.141 345 S CA -1.567 56.604 58.200 -0.049 0.000 1.080 345 S CB 1.178 64.372 63.200 -0.009 0.000 0.978 345 S HN -0.153 nan 8.310 nan 0.000 0.479 346 P HA -0.052 nan 4.420 nan 0.000 0.217 346 P C 0.807 177.945 177.300 -0.271 0.000 1.150 346 P CA 1.047 63.656 63.100 -0.820 0.000 0.832 346 P CB 0.216 31.416 31.700 -0.833 0.000 0.787 347 E N -0.372 119.719 120.200 -0.182 0.000 2.072 347 E HA -0.105 4.243 4.350 -0.003 0.000 0.190 347 E C 1.695 178.266 176.600 -0.048 0.000 0.982 347 E CA 1.266 57.614 56.400 -0.087 0.000 0.803 347 E CB -0.417 29.244 29.700 -0.066 0.000 0.755 347 E HN 0.270 nan 8.360 nan 0.000 0.453 348 K N 0.006 120.381 120.400 -0.042 0.000 2.352 348 K HA 0.203 4.521 4.320 -0.003 0.000 0.194 348 K C 0.709 177.310 176.600 0.001 0.000 1.038 348 K CA -0.042 56.237 56.287 -0.013 0.000 1.023 348 K CB 0.546 33.043 32.500 -0.005 0.000 0.840 348 K HN -0.112 nan 8.250 nan 0.000 0.519 349 S N 1.739 117.445 115.700 0.009 0.000 2.552 349 S HA 0.014 4.482 4.470 -0.003 0.000 0.289 349 S C -0.299 174.321 174.600 0.033 0.000 1.304 349 S CA 0.137 58.359 58.200 0.036 0.000 1.063 349 S CB 0.268 63.532 63.200 0.107 0.000 0.848 349 S HN 0.010 nan 8.310 nan 0.000 0.499 350 K N 5.360 125.771 120.400 0.018 0.000 2.575 350 K HA 0.359 4.677 4.320 -0.003 0.000 0.236 350 K C -1.034 175.566 176.600 0.000 0.000 0.976 350 K CA -0.124 56.171 56.287 0.013 0.000 0.985 350 K CB 0.956 33.464 32.500 0.013 0.000 1.198 350 K HN 0.586 nan 8.250 nan 0.000 0.464 351 L N 3.938 125.156 121.223 -0.008 0.000 2.678 351 L HA 0.233 4.571 4.340 -0.003 0.000 0.250 351 L C -1.737 175.103 176.870 -0.050 0.000 1.455 351 L CA -1.532 53.285 54.840 -0.038 0.000 0.823 351 L CB 1.293 43.318 42.059 -0.057 0.000 1.107 351 L HN 0.129 nan 8.230 nan 0.000 0.514 352 P HA -0.125 nan 4.420 nan 0.000 0.216 352 P C 1.736 179.007 177.300 -0.048 0.000 1.153 352 P CA 1.197 64.278 63.100 -0.031 0.000 0.848 352 P CB 0.274 31.967 31.700 -0.012 0.000 0.787 353 G N -0.428 108.345 108.800 -0.046 0.000 2.479 353 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.220 353 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.220 353 G C 1.485 176.300 174.900 -0.142 0.000 1.115 353 G CA 0.466 45.544 45.100 -0.038 0.000 0.757 353 G HN 0.260 nan 8.290 nan 0.000 0.560 354 I N 0.506 120.900 120.570 -0.295 0.000 2.406 354 I HA 0.009 4.177 4.170 -0.003 0.000 0.249 354 I C 1.349 177.375 176.117 -0.152 0.000 1.122 354 I CA 0.200 61.174 61.300 -0.544 0.000 1.431 354 I CB -0.059 37.638 38.000 -0.505 0.000 1.087 354 I HN 0.094 nan 8.210 nan 0.000 0.424 355 V N -0.803 119.060 119.914 -0.083 0.000 2.716 355 V HA 0.740 4.858 4.120 -0.003 0.000 0.304 355 V C 0.460 176.519 176.094 -0.058 0.000 1.053 355 V CA -1.141 61.114 62.300 -0.076 0.000 0.984 355 V CB 1.114 32.862 31.823 -0.124 0.000 1.021 355 V HN 0.092 nan 8.190 nan 0.000 0.467 356 A N 1.812 124.590 122.820 -0.069 0.000 2.281 356 A HA 0.472 4.790 4.320 -0.003 0.000 0.271 356 A C 0.394 177.951 177.584 -0.046 0.000 1.196 356 A CA -0.001 52.012 52.037 -0.041 0.000 0.807 356 A CB -0.131 18.841 19.000 -0.046 0.000 1.138 356 A HN 1.056 nan 8.150 nan 0.000 0.506 357 E N -1.398 118.783 120.200 -0.032 0.000 2.313 357 E HA 0.495 4.843 4.350 -0.003 0.000 0.276 357 E C 0.598 177.176 176.600 -0.036 0.000 1.031 357 E CA 1.023 57.406 56.400 -0.028 0.000 0.857 357 E CB 0.842 30.531 29.700 -0.018 0.000 1.040 357 E HN 0.914 nan 8.360 nan 0.000 0.408 358 G N 3.562 112.341 108.800 -0.034 0.000 4.329 358 G HA2 0.078 4.036 3.960 -0.003 0.000 0.132 358 G HA3 0.078 4.036 3.960 -0.003 0.000 0.132 358 G C -0.686 174.197 174.900 -0.029 0.000 1.654 358 G CA -0.371 44.708 45.100 -0.035 0.000 0.966 358 G HN 0.425 nan 8.290 nan 0.000 0.310 359 R N 1.391 121.870 120.500 -0.034 0.000 6.104 359 R HA 0.162 4.500 4.340 -0.003 0.000 0.281 359 R C -2.413 173.871 176.300 -0.027 0.000 0.830 359 R CA -0.034 56.052 56.100 -0.024 0.000 1.582 359 R CB -0.245 30.045 30.300 -0.016 0.000 1.270 359 R HN 0.797 nan 8.270 nan 0.000 0.726 360 D N 1.442 121.829 120.400 -0.021 0.000 2.256 360 D HA 0.409 5.047 4.640 -0.003 0.000 0.246 360 D C -0.515 175.795 176.300 0.017 0.000 1.042 360 D CA -0.399 53.591 54.000 -0.016 0.000 0.841 360 D CB 1.856 42.638 40.800 -0.029 0.000 1.223 360 D HN 0.179 nan 8.370 nan 0.000 0.470 361 D N 1.851 122.277 120.400 0.043 0.000 2.772 361 D HA 0.158 4.796 4.640 -0.003 0.000 0.272 361 D C -0.110 176.304 176.300 0.190 0.000 1.314 361 D CA -0.437 53.618 54.000 0.092 0.000 0.835 361 D CB 0.189 41.040 40.800 0.084 0.000 1.080 361 D HN 0.238 nan 8.370 nan 0.000 0.482 362 L N 1.896 123.197 121.223 0.128 0.000 2.371 362 L HA 0.360 4.698 4.340 -0.003 0.000 0.272 362 L C -0.864 176.129 176.870 0.205 0.000 1.124 362 L CA -0.164 54.745 54.840 0.115 0.000 0.816 362 L CB 0.056 42.129 42.059 0.024 0.000 1.129 362 L HN 0.124 nan 8.230 nan 0.000 0.448 363 Y N 1.750 122.061 120.300 0.018 0.000 2.677 363 Y HA 0.616 5.164 4.550 -0.003 0.000 0.334 363 Y C -1.374 174.544 175.900 0.029 0.000 1.196 363 Y CA -1.683 56.422 58.100 0.008 0.000 1.059 363 Y CB 0.498 38.973 38.460 0.026 0.000 1.315 363 Y HN 0.197 nan 8.280 nan 0.000 0.455 364 V N 2.644 122.568 119.914 0.017 0.000 2.488 364 V HA 0.169 4.287 4.120 -0.003 0.000 0.277 364 V C 0.550 176.738 176.094 0.156 0.000 1.046 364 V CA 0.485 62.788 62.300 0.004 0.000 0.986 364 V CB 0.798 32.634 31.823 0.022 0.000 0.989 364 V HN 1.023 nan 8.190 nan 0.000 0.475 365 S N 2.626 118.309 115.700 -0.027 0.000 2.362 365 S HA 0.026 4.493 4.470 -0.003 0.000 0.221 365 S C 0.506 175.180 174.600 0.124 0.000 1.032 365 S CA 0.774 59.005 58.200 0.052 0.000 0.973 365 S CB 0.015 63.154 63.200 -0.101 0.000 0.849 365 S HN 0.908 nan 8.310 nan 0.000 0.465 366 D N -1.603 118.844 120.400 0.077 0.000 2.639 366 D HA 0.628 5.266 4.640 -0.003 0.000 0.271 366 D C -1.805 174.442 176.300 -0.088 0.000 1.254 366 D CA -0.332 53.621 54.000 -0.079 0.000 0.810 366 D CB 2.149 42.801 40.800 -0.248 0.000 1.351 366 D HN 0.168 nan 8.370 nan 0.000 0.427 367 A N 1.278 123.923 122.820 -0.292 0.000 2.381 367 A HA 0.699 5.017 4.320 -0.003 0.000 0.299 367 A C -1.638 175.738 177.584 -0.347 0.000 1.049 367 A CA -0.506 51.480 52.037 -0.085 0.000 0.715 367 A CB 0.552 19.730 19.000 0.297 0.000 1.222 367 A HN 0.280 nan 8.150 nan 0.000 0.428 368 F N 0.986 121.030 119.950 0.157 0.000 2.508 368 F HA 0.627 5.153 4.527 -0.001 0.000 0.325 368 F C 0.214 176.081 175.800 0.111 0.000 1.090 368 F CA -0.208 57.856 58.000 0.107 0.000 0.945 368 F CB 2.241 41.295 39.000 0.089 0.000 1.156 368 F HN 0.768 nan 8.300 nan 0.000 0.463 369 H N 2.032 121.102 119.070 -0.000 0.000 2.690 369 H HA 0.658 5.212 4.556 -0.003 0.000 0.368 369 H C -1.471 173.779 175.328 -0.130 0.000 1.150 369 H CA -1.082 54.897 56.048 -0.114 0.000 1.174 369 H CB 1.903 31.464 29.762 -0.335 0.000 1.684 369 H HN 0.632 nan 8.280 nan 0.000 0.538 370 K N 3.066 123.152 120.400 -0.523 0.000 2.571 370 K HA 0.716 5.034 4.320 -0.003 0.000 0.252 370 K C -2.114 174.357 176.600 -0.215 0.000 0.956 370 K CA -0.568 55.587 56.287 -0.220 0.000 0.822 370 K CB 1.419 33.931 32.500 0.020 0.000 1.286 370 K HN 0.687 nan 8.250 nan 0.000 0.439 371 A N 3.366 126.220 122.820 0.057 0.000 2.414 371 A HA 0.786 5.103 4.320 -0.003 0.000 0.306 371 A C -1.969 175.954 177.584 0.566 0.000 1.054 371 A CA -0.598 51.635 52.037 0.327 0.000 0.724 371 A CB 0.921 20.143 19.000 0.371 0.000 1.267 371 A HN 0.590 nan 8.150 nan 0.000 0.418 372 F N 2.149 122.332 119.950 0.388 0.000 2.518 372 F HA 0.674 5.200 4.527 -0.002 0.000 0.323 372 F C -1.275 174.484 175.800 -0.068 0.000 1.129 372 F CA -1.045 57.092 58.000 0.228 0.000 0.920 372 F CB 1.872 41.055 39.000 0.304 0.000 1.160 372 F HN 0.520 nan 8.300 nan 0.000 0.440 373 L N 5.944 126.787 121.223 -0.633 0.000 2.362 373 L HA 0.548 4.886 4.340 -0.003 0.000 0.275 373 L C -1.241 175.201 176.870 -0.713 0.000 0.998 373 L CA -0.273 54.082 54.840 -0.809 0.000 0.820 373 L CB 1.746 42.859 42.059 -1.577 0.000 1.270 373 L HN 0.715 nan 8.230 nan 0.000 0.415 374 E N 4.096 124.018 120.200 -0.463 0.000 2.199 374 E HA 0.627 4.975 4.350 -0.003 0.000 0.265 374 E C -1.932 174.398 176.600 -0.451 0.000 0.882 374 E CA -0.687 55.506 56.400 -0.346 0.000 0.759 374 E CB 1.850 31.554 29.700 0.007 0.000 1.148 374 E HN 0.532 nan 8.360 nan 0.000 0.412 375 V N 5.420 124.986 119.914 -0.579 0.000 2.483 375 V HA 0.406 4.524 4.120 -0.003 0.000 0.297 375 V C -0.532 175.377 176.094 -0.308 0.000 1.027 375 V CA -0.657 61.330 62.300 -0.522 0.000 0.855 375 V CB 1.369 32.691 31.823 -0.834 0.000 0.995 375 V HN 0.860 nan 8.190 nan 0.000 0.424 376 N N 2.718 121.337 118.700 -0.134 0.000 3.387 376 N HA 0.404 5.141 4.740 -0.003 0.000 0.322 376 N C 0.466 176.056 175.510 0.134 0.000 1.588 376 N CA -0.818 52.210 53.050 -0.037 0.000 0.778 376 N CB 0.844 39.307 38.487 -0.039 0.000 1.883 376 N HN 0.181 nan 8.380 nan 0.000 0.628 377 E N -0.167 120.110 120.200 0.127 0.000 2.058 377 E HA -0.129 4.219 4.350 -0.003 0.000 0.194 377 E C 0.957 177.842 176.600 0.475 0.000 0.997 377 E CA 1.659 58.234 56.400 0.291 0.000 0.801 377 E CB -0.181 29.639 29.700 0.201 0.000 0.746 377 E HN 0.625 nan 8.360 nan 0.000 0.450 378 E N -0.590 119.766 120.200 0.260 0.000 2.208 378 E HA 0.171 4.519 4.350 -0.003 0.000 0.193 378 E C 0.613 177.283 176.600 0.118 0.000 0.988 378 E CA 0.898 57.423 56.400 0.209 0.000 0.828 378 E CB 0.333 30.080 29.700 0.077 0.000 0.763 378 E HN 0.265 nan 8.360 nan 0.000 0.478 387 A N 3.362 126.195 122.820 0.022 0.000 2.592 387 A HA 0.253 4.571 4.320 -0.003 0.000 0.234 387 A C 0.476 178.077 177.584 0.028 0.000 1.049 387 A CA 0.549 52.599 52.037 0.022 0.000 0.874 387 A CB -0.222 18.789 19.000 0.017 0.000 0.896 387 A HN 1.143 nan 8.150 nan 0.000 0.466 388 V N 3.796 123.727 119.914 0.028 0.000 2.509 388 V HA 0.405 4.523 4.120 -0.003 0.000 0.284 388 V C 0.459 176.567 176.094 0.024 0.000 1.047 388 V CA -0.629 61.691 62.300 0.033 0.000 0.952 388 V CB 1.207 33.051 31.823 0.035 0.000 0.988 388 V HN 0.680 nan 8.190 nan 0.000 0.469 389 V N 5.441 125.367 119.914 0.021 0.000 2.716 389 V HA 0.573 4.691 4.120 -0.003 0.000 0.304 389 V C -0.182 175.913 176.094 0.002 0.000 1.053 389 V CA -0.499 61.805 62.300 0.008 0.000 0.984 389 V CB 1.717 33.540 31.823 0.000 0.000 1.021 389 V HN 0.714 nan 8.190 nan 0.000 0.467 390 I N 1.663 122.230 120.570 -0.005 0.000 2.934 390 I HA 0.758 4.926 4.170 -0.003 0.000 0.306 390 I C 0.498 176.603 176.117 -0.019 0.000 1.110 390 I CA -0.142 61.154 61.300 -0.007 0.000 1.019 390 I CB 2.246 40.246 38.000 0.001 0.000 1.227 390 I HN 0.629 nan 8.210 nan 0.000 0.434 391 A N 3.613 126.418 122.820 -0.024 0.000 2.419 391 A HA 0.779 5.097 4.320 -0.003 0.000 0.233 391 A C 0.750 178.318 177.584 -0.026 0.000 1.217 391 A CA 0.428 52.445 52.037 -0.034 0.000 0.944 391 A CB -0.591 18.378 19.000 -0.053 0.000 1.025 391 A HN 1.711 nan 8.150 nan 0.000 0.524 392 G N -0.618 108.172 108.800 -0.016 0.000 2.541 392 G HA2 -0.041 3.917 3.960 -0.003 0.000 0.686 392 G HA3 -0.041 3.917 3.960 -0.003 0.000 0.686 392 G C -0.342 174.552 174.900 -0.010 0.000 1.286 392 G CA -0.480 44.612 45.100 -0.013 0.000 0.894 392 G HN 0.307 nan 8.290 nan 0.000 0.575 393 R N 0.216 120.711 120.500 -0.008 0.000 2.696 393 R HA 0.367 4.705 4.340 -0.003 0.000 0.355 393 R C 1.188 177.484 176.300 -0.007 0.000 1.138 393 R CA 0.373 56.470 56.100 -0.005 0.000 1.059 393 R CB 0.465 30.764 30.300 -0.001 0.000 1.380 393 R HN 0.779 nan 8.270 nan 0.000 0.578 394 S N -0.291 115.402 115.700 -0.012 0.000 2.614 394 S HA 0.213 4.681 4.470 -0.003 0.000 0.265 394 S C 0.398 174.990 174.600 -0.012 0.000 1.303 394 S CA -0.716 57.476 58.200 -0.013 0.000 1.000 394 S CB 1.226 64.415 63.200 -0.017 0.000 0.935 394 S HN 0.218 nan 8.310 nan 0.000 0.551 395 L N 2.074 123.290 121.223 -0.011 0.000 2.342 395 L HA 0.289 4.627 4.340 -0.003 0.000 0.285 395 L C -0.620 176.241 176.870 -0.015 0.000 1.095 395 L CA -0.036 54.798 54.840 -0.010 0.000 0.843 395 L CB -0.310 41.745 42.059 -0.008 0.000 1.201 395 L HN 0.807 nan 8.230 nan 0.000 0.445 396 N N 5.163 123.852 118.700 -0.017 0.000 2.725 396 N HA 0.246 4.984 4.740 -0.003 0.000 0.248 396 N C -2.441 173.057 175.510 -0.020 0.000 1.402 396 N CA -0.757 52.278 53.050 -0.025 0.000 0.766 396 N CB 1.135 39.600 38.487 -0.038 0.000 1.223 396 N HN 0.397 nan 8.380 nan 0.000 0.515 397 P HA 0.058 nan 4.420 nan 0.000 0.269 397 P C -0.811 176.480 177.300 -0.014 0.000 1.209 397 P CA -0.116 62.979 63.100 -0.008 0.000 0.776 397 P CB 0.751 32.448 31.700 -0.005 0.000 0.876 398 N N 2.734 121.431 118.700 -0.005 0.000 2.431 398 N HA 0.048 4.786 4.740 -0.003 0.000 0.265 398 N C 1.204 176.697 175.510 -0.029 0.000 1.184 398 N CA -0.067 52.973 53.050 -0.017 0.000 0.943 398 N CB 0.671 39.164 38.487 0.010 0.000 1.080 398 N HN 0.363 nan 8.380 nan 0.000 0.477 399 R N 1.227 121.696 120.500 -0.052 0.000 2.090 399 R HA 0.127 4.465 4.340 -0.003 0.000 0.228 399 R C 0.447 176.698 176.300 -0.083 0.000 1.110 399 R CA 0.852 56.918 56.100 -0.057 0.000 0.973 399 R CB 0.247 30.512 30.300 -0.059 0.000 0.869 399 R HN 0.393 nan 8.270 nan 0.000 0.440 400 V N -2.595 117.232 119.914 -0.147 0.000 3.165 400 V HA 0.425 4.543 4.120 -0.003 0.000 0.309 400 V C -1.343 174.662 176.094 -0.149 0.000 1.267 400 V CA -0.922 61.256 62.300 -0.203 0.000 1.067 400 V CB 2.354 33.873 31.823 -0.506 0.000 1.082 400 V HN 0.151 nan 8.190 nan 0.000 0.451 401 c N 1.383 119.927 118.600 -0.094 0.000 2.701 401 c HA 0.611 5.179 4.570 -0.003 0.000 0.336 401 c C -1.237 172.916 174.090 0.105 0.000 1.123 401 c CA -0.876 55.475 56.329 0.037 0.000 1.326 401 c CB 0.771 43.352 42.510 0.118 0.000 1.833 401 c HN 0.723 nan 8.230 nan 0.000 0.473 402 F N 5.517 125.461 119.950 -0.009 0.000 2.332 402 F HA 0.527 5.051 4.527 -0.004 0.000 0.368 402 F C 0.067 175.916 175.800 0.081 0.000 1.110 402 F CA -0.148 57.869 58.000 0.028 0.000 1.087 402 F CB 0.480 39.471 39.000 -0.015 0.000 1.235 402 F HN 0.478 nan 8.300 nan 0.000 0.470 403 K N 5.943 126.279 120.400 -0.108 0.000 2.404 403 K HA 0.523 4.841 4.320 -0.003 0.000 0.257 403 K C -0.441 176.057 176.600 -0.169 0.000 1.026 403 K CA -0.644 55.635 56.287 -0.013 0.000 0.951 403 K CB 1.503 33.953 32.500 -0.084 0.000 1.203 403 K HN 0.586 nan 8.250 nan 0.000 0.446 404 A N 3.455 126.229 122.820 -0.077 0.000 3.004 404 A HA 0.053 4.371 4.320 -0.003 0.000 0.286 404 A C 0.329 178.025 177.584 0.186 0.000 1.632 404 A CA -0.533 51.457 52.037 -0.077 0.000 1.339 404 A CB -0.822 18.014 19.000 -0.273 0.000 1.136 404 A HN 0.798 nan 8.150 nan 0.000 0.577 405 N N 0.720 119.450 118.700 0.049 0.000 2.251 405 N HA 0.121 4.859 4.740 -0.003 0.000 0.217 405 N C 0.142 175.334 175.510 -0.531 0.000 1.124 405 N CA -0.316 52.743 53.050 0.015 0.000 0.843 405 N CB 0.104 38.618 38.487 0.045 0.000 1.024 405 N HN 0.723 nan 8.380 nan 0.000 0.501 406 R N -2.443 117.753 120.500 -0.506 0.000 2.781 406 R HA 0.585 4.923 4.340 -0.003 0.000 0.269 406 R C -3.274 172.941 176.300 -0.141 0.000 1.025 406 R CA -2.027 53.648 56.100 -0.708 0.000 0.914 406 R CB -0.061 30.067 30.300 -0.288 0.000 1.236 406 R HN -0.226 nan 8.270 nan 0.000 0.465 407 P HA -0.063 nan 4.420 nan 0.000 0.261 407 P C -1.249 176.171 177.300 0.200 0.000 1.173 407 P CA 0.526 63.715 63.100 0.148 0.000 0.760 407 P CB 0.060 31.798 31.700 0.063 0.000 0.783 408 F N 0.973 120.980 119.950 0.095 0.000 2.643 408 F HA 0.639 5.164 4.527 -0.004 0.000 0.314 408 F C -1.388 174.442 175.800 0.051 0.000 1.096 408 F CA -1.588 56.462 58.000 0.082 0.000 0.953 408 F CB 0.850 39.927 39.000 0.129 0.000 1.345 408 F HN -0.048 nan 8.300 nan 0.000 0.468 409 L N 2.195 123.575 121.223 0.262 0.000 2.379 409 L HA 0.790 5.128 4.340 -0.003 0.000 0.269 409 L C -0.670 176.257 176.870 0.094 0.000 1.084 409 L CA -1.315 53.542 54.840 0.028 0.000 0.802 409 L CB 1.715 43.736 42.059 -0.063 0.000 1.175 409 L HN 0.561 nan 8.230 nan 0.000 0.448 410 V N 1.650 121.472 119.914 -0.153 0.000 2.709 410 V HA 0.534 4.651 4.120 -0.003 0.000 0.308 410 V C -0.955 174.982 176.094 -0.261 0.000 1.062 410 V CA -0.511 61.815 62.300 0.043 0.000 0.901 410 V CB 2.032 34.036 31.823 0.303 0.000 1.003 410 V HN 0.391 nan 8.190 nan 0.000 0.425 411 F N 3.699 123.855 119.950 0.343 0.000 2.588 411 F HA 0.686 5.211 4.527 -0.003 0.000 0.310 411 F C -0.215 175.791 175.800 0.342 0.000 1.082 411 F CA -0.748 57.429 58.000 0.294 0.000 0.929 411 F CB 1.977 41.102 39.000 0.209 0.000 1.254 411 F HN 0.180 nan 8.300 nan 0.000 0.455 412 I N 3.474 124.363 120.570 0.532 0.000 2.447 412 I HA 0.576 4.743 4.170 -0.003 0.000 0.287 412 I C -0.778 175.532 176.117 0.323 0.000 1.023 412 I CA -0.672 60.892 61.300 0.440 0.000 1.083 412 I CB 2.034 40.280 38.000 0.410 0.000 1.245 412 I HN 0.692 nan 8.210 nan 0.000 0.434 413 R N 4.073 124.740 120.500 0.278 0.000 2.799 413 R HA 0.553 4.891 4.340 -0.003 0.000 0.270 413 R C -1.112 175.290 176.300 0.170 0.000 1.010 413 R CA -0.945 55.269 56.100 0.191 0.000 0.916 413 R CB 1.999 32.401 30.300 0.170 0.000 1.228 413 R HN 0.337 nan 8.270 nan 0.000 0.469 414 E N 1.709 121.985 120.200 0.127 0.000 2.115 414 E HA 0.115 4.463 4.350 -0.003 0.000 0.282 414 E C 0.663 177.331 176.600 0.113 0.000 0.987 414 E CA -0.362 56.109 56.400 0.118 0.000 0.797 414 E CB 1.795 31.551 29.700 0.093 0.000 1.086 414 E HN 0.554 nan 8.360 nan 0.000 0.397 415 V N 7.041 127.025 119.914 0.118 0.000 2.219 415 V HA -0.233 3.885 4.120 -0.003 0.000 0.248 415 V C -0.913 175.223 176.094 0.071 0.000 1.053 415 V CA 2.150 64.510 62.300 0.099 0.000 1.009 415 V CB -1.419 30.463 31.823 0.099 0.000 0.636 415 V HN 0.626 nan 8.190 nan 0.000 0.445 416 P HA -0.151 nan 4.420 nan 0.000 0.215 416 P C 1.795 179.100 177.300 0.009 0.000 1.157 416 P CA 1.350 64.459 63.100 0.013 0.000 0.874 416 P CB -0.080 31.619 31.700 -0.000 0.000 0.790 417 L N -1.767 119.484 121.223 0.047 0.000 2.446 417 L HA 0.128 4.465 4.340 -0.003 0.000 0.219 417 L C -0.029 176.943 176.870 0.170 0.000 1.116 417 L CA 0.982 55.884 54.840 0.103 0.000 0.844 417 L CB -1.367 40.761 42.059 0.116 0.000 0.970 417 L HN -0.055 nan 8.230 nan 0.000 0.457 418 N N -1.433 117.341 118.700 0.123 0.000 2.741 418 N HA -0.183 4.554 4.740 -0.003 0.000 0.251 418 N C -0.226 175.345 175.510 0.102 0.000 1.112 418 N CA 1.199 54.316 53.050 0.111 0.000 0.750 418 N CB -2.120 36.438 38.487 0.119 0.000 1.119 418 N HN 0.303 nan 8.380 nan 0.000 0.561 419 T N 1.061 115.681 114.554 0.109 0.000 2.817 419 T HA 0.229 4.577 4.350 -0.003 0.000 0.295 419 T C 0.961 175.711 174.700 0.083 0.000 0.958 419 T CA -0.127 62.031 62.100 0.096 0.000 1.157 419 T CB 0.503 69.427 68.868 0.093 0.000 0.898 419 T HN 0.146 nan 8.240 nan 0.000 0.536 420 I N 4.653 125.270 120.570 0.078 0.000 2.421 420 I HA 0.096 4.264 4.170 -0.003 0.000 0.291 420 I C 1.274 177.424 176.117 0.056 0.000 1.089 420 I CA -0.008 61.350 61.300 0.097 0.000 1.354 420 I CB 0.402 38.465 38.000 0.105 0.000 1.413 420 I HN 0.714 nan 8.210 nan 0.000 0.513 421 I N 5.644 126.223 120.570 0.016 0.000 2.556 421 I HA 0.062 4.230 4.170 -0.003 0.000 0.251 421 I C 0.131 175.969 176.117 -0.465 0.000 1.105 421 I CA 0.865 62.028 61.300 -0.228 0.000 1.436 421 I CB 0.091 37.944 38.000 -0.246 0.000 1.139 421 I HN 0.290 nan 8.210 nan 0.000 0.438 422 F N 1.075 121.046 119.950 0.035 0.000 2.588 422 F HA 0.609 5.134 4.527 -0.004 0.000 0.314 422 F C -0.154 175.696 175.800 0.083 0.000 1.069 422 F CA -0.927 57.035 58.000 -0.062 0.000 0.931 422 F CB 1.891 40.815 39.000 -0.126 0.000 1.260 422 F HN -0.190 nan 8.300 nan 0.000 0.465 423 M N 1.216 120.929 119.600 0.188 0.000 2.470 423 M HA 0.969 5.447 4.480 -0.003 0.000 0.285 423 M C -1.057 175.350 176.300 0.177 0.000 1.213 423 M CA -0.333 55.080 55.300 0.188 0.000 0.901 423 M CB 2.623 35.383 32.600 0.267 0.000 1.718 423 M HN 0.754 nan 8.290 nan 0.000 0.469 424 G N 1.349 110.215 108.800 0.110 0.000 2.490 424 G HA2 0.607 4.565 3.960 -0.003 0.000 0.308 424 G HA3 0.607 4.565 3.960 -0.003 0.000 0.308 424 G C -2.358 172.602 174.900 0.101 0.000 1.286 424 G CA -0.929 44.343 45.100 0.286 0.000 0.825 424 G HN 0.942 nan 8.290 nan 0.000 0.479 425 R N -0.380 120.173 120.500 0.089 0.000 2.548 425 R HA 0.531 4.869 4.340 -0.003 0.000 0.280 425 R C -1.918 174.233 176.300 -0.249 0.000 1.061 425 R CA -0.498 55.560 56.100 -0.070 0.000 0.915 425 R CB 2.098 32.427 30.300 0.049 0.000 1.210 425 R HN 0.450 nan 8.270 nan 0.000 0.442 426 V N 4.563 124.120 119.914 -0.596 0.000 2.288 426 V HA 0.331 4.448 4.120 -0.003 0.000 0.266 426 V C 0.912 176.700 176.094 -0.509 0.000 1.048 426 V CA 0.179 61.982 62.300 -0.827 0.000 0.842 426 V CB 0.727 31.520 31.823 -1.716 0.000 1.064 426 V HN 0.915 nan 8.190 nan 0.000 0.472 427 A N 4.296 126.962 122.820 -0.256 0.000 2.169 427 A HA 0.260 4.578 4.320 -0.003 0.000 0.210 427 A C 0.819 178.411 177.584 0.013 0.000 1.168 427 A CA 0.255 52.258 52.037 -0.055 0.000 0.813 427 A CB 0.012 18.988 19.000 -0.039 0.000 0.861 427 A HN 0.740 nan 8.150 nan 0.000 0.481 428 N N -0.557 118.027 118.700 -0.194 0.000 2.812 428 N HA 0.153 4.891 4.740 -0.003 0.000 0.262 428 N C -2.766 172.513 175.510 -0.385 0.000 1.241 428 N CA -0.879 52.026 53.050 -0.243 0.000 0.854 428 N CB 1.706 40.137 38.487 -0.094 0.000 1.506 428 N HN -0.089 nan 8.380 nan 0.000 0.576 429 P HA 0.135 nan 4.420 nan 0.000 0.226 429 P C 0.780 177.943 177.300 -0.227 0.000 1.160 429 P CA 0.275 63.130 63.100 -0.409 0.000 0.837 429 P CB 0.133 31.511 31.700 -0.537 0.000 0.860 430 c N 0.610 119.061 118.600 -0.249 0.000 2.876 430 c HA 0.310 4.878 4.570 -0.003 0.000 0.284 430 c C 1.608 175.652 174.090 -0.076 0.000 1.458 430 c CA -0.846 55.410 56.329 -0.121 0.000 2.113 430 c CB -1.097 41.358 42.510 -0.091 0.000 2.154 430 c HN 0.013 nan 8.230 nan 0.000 0.694 431 V N 0.000 119.888 119.914 -0.044 0.000 2.409 431 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 431 V CA 0.000 62.283 62.300 -0.027 0.000 1.235 431 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556