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 1ltx_1_A DATA FIRST_RESID 24 DATA SEQUENCE KLKLYQSATQ AVFQKRQAGE LDESVLELTS QILGANPDFA TLWNCRREVL DATA SEQUENCE QHLETEKSPE ESAALVKAEL GFLESCLRVN PKSYGTWHHR CWLLSRLPEP DATA SEQUENCE NWARELELCA RFLEADERNF HCWDYRRFVA AQAAVAPAEE LAFTDSLITR DATA SEQUENCE NFSNYSSWHY RSCLLPQLHP XXXXXXQGRL PENVLLKELE LVQNAFFTDP DATA SEQUENCE NDQSAWFYHR WLLGRAEPXX VLCCVHVSRE EACLSVCFSR PLTVGSRMGT DATA SEQUENCE LLLMVDEAPL SVEWRTPDGR NRPSHVWLCD LPAASLNDQL PQHTFRVIWT DATA SEQUENCE GSDSQKECVL LKDRPECWCR DSATDEQLFR CELSVEKSTV LQSELESCKE DATA SEQUENCE LQELEPENKW CLLTIILLMR ALDPLLYEKE TLQYFSTLKA VDPMRAAYLD DATA SEQUENCE DLRSKFLLEN SVLKMEYADV RVLHLAHKDL TVLCHLEQLL LVTHLDLSHN DATA SEQUENCE RLRALPPALA ALRCLEVLQA SDNALENVDG VANLPRLQEL LLCNNRLQQS DATA SEQUENCE AAIQPLVSCP RLVLLNLQGN SLCQEEGIQE RLAEMLPSVS SILT 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.609 176.600 0.014 0.000 0.988 24 K CA 0.000 56.294 56.287 0.012 0.000 0.838 24 K CB 0.000 32.507 32.500 0.012 0.000 1.064 25 L N -3.948 117.284 121.223 0.015 0.000 2.672 25 L HA 0.791 5.132 4.340 0.001 0.000 0.256 25 L C -1.455 175.425 176.870 0.017 0.000 0.946 25 L CA -0.615 54.236 54.840 0.017 0.000 0.889 25 L CB 1.124 43.194 42.059 0.018 0.000 1.441 25 L HN 0.989 nan 8.230 nan 0.000 0.418 26 K N 1.414 121.825 120.400 0.019 0.000 2.182 26 K HA 0.922 5.243 4.320 0.001 0.000 0.262 26 K C 0.048 176.661 176.600 0.022 0.000 0.957 26 K CA -0.177 56.121 56.287 0.018 0.000 0.842 26 K CB 1.407 33.917 32.500 0.016 0.000 1.099 26 K HN 1.996 nan 8.250 nan 0.000 0.438 27 L N 2.178 123.413 121.223 0.020 0.000 2.450 27 L HA 0.444 4.784 4.340 0.001 0.000 0.256 27 L C 1.545 178.430 176.870 0.026 0.000 1.374 27 L CA 0.893 55.747 54.840 0.024 0.000 1.210 27 L CB -2.196 39.875 42.059 0.020 0.000 1.394 27 L HN 1.313 nan 8.230 nan 0.000 0.438 28 Y N 0.469 120.789 120.300 0.032 0.000 2.457 28 Y HA -0.031 4.519 4.550 0.001 0.000 0.292 28 Y C 2.240 178.167 175.900 0.046 0.000 1.125 28 Y CA 1.455 59.575 58.100 0.034 0.000 1.254 28 Y CB -0.437 38.049 38.460 0.042 0.000 1.012 28 Y HN 0.899 nan 8.280 nan 0.000 0.555 29 Q N 0.571 120.407 119.800 0.061 0.000 2.170 29 Q HA -0.140 4.201 4.340 0.001 0.000 0.203 29 Q C 1.759 177.802 176.000 0.073 0.000 0.976 29 Q CA 1.970 57.825 55.803 0.087 0.000 0.858 29 Q CB -1.097 27.693 28.738 0.087 0.000 0.907 29 Q HN 0.494 nan 8.270 nan 0.000 0.433 30 S N 1.594 117.322 115.700 0.046 0.000 2.359 30 S HA -0.223 4.248 4.470 0.001 0.000 0.223 30 S C 2.198 176.807 174.600 0.015 0.000 1.039 30 S CA 1.401 59.621 58.200 0.034 0.000 1.042 30 S CB -0.987 62.225 63.200 0.020 0.000 0.915 30 S HN 0.667 nan 8.310 nan 0.000 0.439 31 A N 1.445 124.260 122.820 -0.007 0.000 1.948 31 A HA -0.153 4.167 4.320 0.001 0.000 0.220 31 A C 2.334 179.869 177.584 -0.082 0.000 1.177 31 A CA 2.152 54.161 52.037 -0.046 0.000 0.636 31 A CB -1.398 17.568 19.000 -0.057 0.000 0.815 31 A HN 0.513 nan 8.150 nan 0.000 0.449 32 T N -0.672 113.848 114.554 -0.057 0.000 2.639 32 T HA -0.170 4.181 4.350 0.001 0.000 0.261 32 T C 2.071 176.741 174.700 -0.049 0.000 1.053 32 T CA 1.712 63.743 62.100 -0.115 0.000 1.158 32 T CB -0.355 68.547 68.868 0.057 0.000 0.863 32 T HN 0.518 nan 8.240 nan 0.000 0.413 33 Q N 1.246 121.132 119.800 0.143 0.000 2.308 33 Q HA -0.033 4.308 4.340 0.001 0.000 0.209 33 Q C 2.046 178.133 176.000 0.145 0.000 0.985 33 Q CA 1.601 57.559 55.803 0.258 0.000 0.881 33 Q CB -0.674 28.164 28.738 0.167 0.000 0.917 33 Q HN 0.546 nan 8.270 nan 0.000 0.443 34 A N -1.004 121.834 122.820 0.031 0.000 1.854 34 A HA -0.089 4.232 4.320 0.001 0.000 0.214 34 A C 2.202 179.758 177.584 -0.047 0.000 1.192 34 A CA 1.429 53.462 52.037 -0.007 0.000 0.611 34 A CB -0.767 18.212 19.000 -0.036 0.000 0.832 34 A HN 0.242 nan 8.150 nan 0.000 0.442 35 V N -0.828 118.993 119.914 -0.154 0.000 2.469 35 V HA -0.254 3.867 4.120 0.001 0.000 0.251 35 V C 2.303 178.272 176.094 -0.208 0.000 1.064 35 V CA 1.940 64.094 62.300 -0.244 0.000 1.066 35 V CB -1.055 30.517 31.823 -0.418 0.000 0.667 35 V HN 0.515 nan 8.190 nan 0.000 0.461 36 F N -0.295 119.623 119.950 -0.053 0.000 2.084 36 F HA -0.112 4.416 4.527 0.001 0.000 0.296 36 F C 2.640 178.422 175.800 -0.029 0.000 1.111 36 F CA 1.361 59.340 58.000 -0.034 0.000 1.224 36 F CB -0.795 38.198 39.000 -0.011 0.000 0.991 36 F HN 0.062 nan 8.300 nan 0.000 0.471 37 Q N 0.592 120.495 119.800 0.172 0.000 2.020 37 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 37 Q C 1.557 177.580 176.000 0.039 0.000 0.982 37 Q CA 1.174 57.028 55.803 0.084 0.000 0.838 37 Q CB -0.469 28.305 28.738 0.059 0.000 0.899 37 Q HN 0.203 nan 8.270 nan 0.000 0.423 38 K N 0.882 121.287 120.400 0.008 0.000 2.878 38 K HA -0.035 4.286 4.320 0.001 0.000 0.242 38 K C 1.254 177.836 176.600 -0.029 0.000 0.985 38 K CA 0.250 56.525 56.287 -0.020 0.000 1.168 38 K CB 0.152 32.626 32.500 -0.044 0.000 0.993 38 K HN 0.174 nan 8.250 nan 0.000 0.476 39 R N -0.049 120.449 120.500 -0.003 0.000 3.246 39 R HA -0.106 4.235 4.340 0.001 0.000 0.144 39 R C 1.363 177.671 176.300 0.013 0.000 0.772 39 R CA 0.342 56.438 56.100 -0.007 0.000 1.364 39 R CB 0.045 30.343 30.300 -0.003 0.000 1.665 39 R HN 0.012 nan 8.270 nan 0.000 0.520 40 Q N 0.903 120.729 119.800 0.043 0.000 2.290 40 Q HA -0.118 4.223 4.340 0.001 0.000 0.211 40 Q C 1.314 177.322 176.000 0.014 0.000 0.991 40 Q CA 2.321 58.146 55.803 0.037 0.000 0.893 40 Q CB -0.567 28.197 28.738 0.042 0.000 0.913 40 Q HN 0.395 nan 8.270 nan 0.000 0.428 41 A N -0.119 122.703 122.820 0.005 0.000 1.901 41 A HA 0.553 4.874 4.320 0.001 0.000 0.210 41 A C 1.611 179.185 177.584 -0.016 0.000 1.208 41 A CA 0.825 52.860 52.037 -0.004 0.000 0.644 41 A CB -0.057 18.940 19.000 -0.004 0.000 0.863 41 A HN 0.903 nan 8.150 nan 0.000 0.454 42 G N -0.331 108.451 108.800 -0.029 0.000 2.507 42 G HA2 0.084 4.045 3.960 0.001 0.000 0.225 42 G HA3 0.084 4.045 3.960 0.001 0.000 0.225 42 G C -0.748 174.105 174.900 -0.078 0.000 1.078 42 G CA -0.179 44.887 45.100 -0.056 0.000 0.939 42 G HN 0.182 nan 8.290 nan 0.000 0.538 43 E N 1.290 121.452 120.200 -0.063 0.000 2.346 43 E HA 0.335 4.686 4.350 0.001 0.000 0.317 43 E C 1.049 177.601 176.600 -0.079 0.000 1.404 43 E CA -0.396 55.968 56.400 -0.059 0.000 1.534 43 E CB -0.142 29.534 29.700 -0.041 0.000 1.309 43 E HN 0.447 nan 8.360 nan 0.000 0.499 44 L N 0.272 121.410 121.223 -0.141 0.000 2.650 44 L HA 0.214 4.555 4.340 0.001 0.000 0.239 44 L C 0.101 176.963 176.870 -0.013 0.000 1.412 44 L CA -0.395 54.352 54.840 -0.155 0.000 1.219 44 L CB -1.673 40.114 42.059 -0.453 0.000 1.534 44 L HN 0.063 nan 8.230 nan 0.000 0.430 45 D N -1.454 118.945 120.400 -0.003 0.000 2.607 45 D HA 0.267 4.908 4.640 0.001 0.000 0.253 45 D C 0.623 176.925 176.300 0.004 0.000 1.171 45 D CA -0.565 53.450 54.000 0.027 0.000 1.084 45 D CB 0.465 41.271 40.800 0.009 0.000 1.203 45 D HN 0.210 nan 8.370 nan 0.000 0.629 46 E N -0.854 119.340 120.200 -0.009 0.000 2.431 46 E HA 0.015 4.366 4.350 0.001 0.000 0.200 46 E C 1.681 178.247 176.600 -0.056 0.000 0.995 46 E CA 0.483 56.863 56.400 -0.033 0.000 0.915 46 E CB 0.080 29.762 29.700 -0.030 0.000 0.930 46 E HN 0.439 nan 8.360 nan 0.000 0.496 47 S N 1.236 116.906 115.700 -0.049 0.000 2.465 47 S HA -0.146 4.325 4.470 0.001 0.000 0.241 47 S C 2.145 176.698 174.600 -0.078 0.000 1.000 47 S CA 1.196 59.361 58.200 -0.058 0.000 0.964 47 S CB -0.429 62.744 63.200 -0.045 0.000 0.763 47 S HN 0.279 nan 8.310 nan 0.000 0.512 48 V N -1.578 118.284 119.914 -0.086 0.000 3.048 48 V HA 0.371 4.491 4.120 0.001 0.000 0.241 48 V C 2.043 178.055 176.094 -0.137 0.000 1.129 48 V CA 0.441 62.672 62.300 -0.115 0.000 1.128 48 V CB -0.723 31.032 31.823 -0.113 0.000 0.849 48 V HN 0.401 nan 8.190 nan 0.000 0.475 49 L N 0.307 121.462 121.223 -0.113 0.000 2.187 49 L HA -0.145 4.196 4.340 0.001 0.000 0.213 49 L C 2.419 179.176 176.870 -0.189 0.000 1.100 49 L CA 2.120 56.886 54.840 -0.124 0.000 0.765 49 L CB -0.026 41.987 42.059 -0.077 0.000 0.904 49 L HN 0.416 nan 8.230 nan 0.000 0.437 50 E N -0.947 119.146 120.200 -0.177 0.000 2.127 50 E HA -0.105 4.246 4.350 0.001 0.000 0.191 50 E C 1.734 178.214 176.600 -0.200 0.000 0.964 50 E CA 0.488 56.762 56.400 -0.210 0.000 0.832 50 E CB -0.202 29.404 29.700 -0.157 0.000 0.790 50 E HN 0.232 nan 8.360 nan 0.000 0.465 51 L N 1.150 122.274 121.223 -0.164 0.000 2.191 51 L HA -0.139 4.202 4.340 0.001 0.000 0.212 51 L C 2.070 178.825 176.870 -0.191 0.000 1.103 51 L CA 1.995 56.742 54.840 -0.155 0.000 0.769 51 L CB -0.882 41.093 42.059 -0.139 0.000 0.908 51 L HN 0.324 nan 8.230 nan 0.000 0.438 52 T N -3.891 110.527 114.554 -0.226 0.000 2.737 52 T HA -0.177 4.174 4.350 0.001 0.000 0.265 52 T C 2.082 176.648 174.700 -0.224 0.000 1.038 52 T CA 1.331 63.268 62.100 -0.272 0.000 1.144 52 T CB -1.076 67.618 68.868 -0.291 0.000 0.866 52 T HN 0.498 nan 8.240 nan 0.000 0.434 53 S N 1.604 117.167 115.700 -0.227 0.000 2.420 53 S HA -0.286 4.185 4.470 0.001 0.000 0.237 53 S C 2.196 176.784 174.600 -0.020 0.000 1.023 53 S CA 1.485 59.615 58.200 -0.117 0.000 0.991 53 S CB -0.745 62.096 63.200 -0.599 0.000 0.792 53 S HN 0.610 nan 8.310 nan 0.000 0.488 54 Q N 1.264 121.009 119.800 -0.092 0.000 1.967 54 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 54 Q C 1.844 177.825 176.000 -0.031 0.000 0.985 54 Q CA 2.036 57.806 55.803 -0.054 0.000 0.839 54 Q CB -0.508 28.186 28.738 -0.074 0.000 0.906 54 Q HN 0.593 nan 8.270 nan 0.000 0.423 55 I N -0.121 120.405 120.570 -0.072 0.000 2.233 55 I HA -0.156 4.015 4.170 0.001 0.000 0.243 55 I C 1.992 178.097 176.117 -0.019 0.000 1.093 55 I CA 0.601 61.876 61.300 -0.042 0.000 1.380 55 I CB -0.616 37.319 38.000 -0.107 0.000 1.067 55 I HN 0.230 nan 8.210 nan 0.000 0.413 56 L N 0.939 122.100 121.223 -0.103 0.000 2.351 56 L HA -0.163 4.177 4.340 0.001 0.000 0.220 56 L C 2.269 179.153 176.870 0.024 0.000 1.127 56 L CA 1.786 56.551 54.840 -0.125 0.000 0.786 56 L CB -1.271 40.572 42.059 -0.360 0.000 0.914 56 L HN 0.328 nan 8.230 nan 0.000 0.443 57 G N -1.942 106.898 108.800 0.067 0.000 2.394 57 G HA2 -0.107 3.854 3.960 0.001 0.000 0.215 57 G HA3 -0.107 3.854 3.960 0.001 0.000 0.215 57 G C 1.562 176.506 174.900 0.075 0.000 1.165 57 G CA 0.606 45.758 45.100 0.088 0.000 0.784 57 G HN 0.512 nan 8.290 nan 0.000 0.535 58 A N -0.029 122.835 122.820 0.073 0.000 1.887 58 A HA 0.162 4.482 4.320 0.001 0.000 0.212 58 A C 1.517 179.160 177.584 0.099 0.000 1.198 58 A CA 0.661 52.743 52.037 0.075 0.000 0.628 58 A CB -0.081 18.959 19.000 0.067 0.000 0.847 58 A HN 0.294 nan 8.150 nan 0.000 0.449 59 N N 0.573 119.351 118.700 0.130 0.000 3.194 59 N HA 0.188 4.929 4.740 0.001 0.000 0.271 59 N C -2.402 173.257 175.510 0.248 0.000 1.308 59 N CA -1.555 51.603 53.050 0.181 0.000 1.042 59 N CB 1.036 39.662 38.487 0.233 0.000 1.310 59 N HN 0.187 nan 8.380 nan 0.000 0.502 60 P HA 0.080 nan 4.420 nan 0.000 0.247 60 P C -0.030 177.569 177.300 0.499 0.000 1.225 60 P CA 0.491 63.850 63.100 0.433 0.000 0.768 60 P CB 0.594 32.469 31.700 0.292 0.000 1.020 61 D N -1.078 119.530 120.400 0.346 0.000 2.398 61 D HA 0.072 4.713 4.640 0.001 0.000 0.210 61 D C 0.208 176.706 176.300 0.330 0.000 1.094 61 D CA -0.275 53.889 54.000 0.274 0.000 0.839 61 D CB -0.163 40.735 40.800 0.163 0.000 0.963 61 D HN 0.231 nan 8.370 nan 0.000 0.506 62 F N 1.775 121.857 119.950 0.221 0.000 2.651 62 F HA 0.153 4.680 4.527 0.001 0.000 0.367 62 F C 1.716 177.651 175.800 0.224 0.000 1.225 62 F CA -0.805 57.287 58.000 0.154 0.000 1.310 62 F CB 0.303 39.344 39.000 0.068 0.000 1.724 62 F HN -0.090 nan 8.300 nan 0.000 0.662 63 A N 1.613 124.741 122.820 0.513 0.000 1.971 63 A HA -0.291 4.030 4.320 0.001 0.000 0.222 63 A C 2.215 179.995 177.584 0.326 0.000 1.182 63 A CA 2.587 54.867 52.037 0.406 0.000 0.649 63 A CB -1.016 18.107 19.000 0.204 0.000 0.818 63 A HN 0.626 nan 8.150 nan 0.000 0.458 64 T N 0.587 115.363 114.554 0.370 0.000 2.720 64 T HA -0.155 4.196 4.350 0.001 0.000 0.268 64 T C 1.785 176.476 174.700 -0.014 0.000 1.037 64 T CA 1.538 63.766 62.100 0.212 0.000 1.144 64 T CB -0.463 68.626 68.868 0.369 0.000 0.864 64 T HN 0.443 nan 8.240 nan 0.000 0.444 65 L N -0.927 120.170 121.223 -0.211 0.000 1.994 65 L HA -0.080 4.261 4.340 0.001 0.000 0.208 65 L C 2.480 179.174 176.870 -0.294 0.000 1.071 65 L CA 1.544 56.125 54.840 -0.432 0.000 0.745 65 L CB -0.799 40.841 42.059 -0.699 0.000 0.892 65 L HN 0.351 nan 8.230 nan 0.000 0.431 66 W N 0.738 121.951 121.300 -0.146 0.000 2.436 66 W HA -0.171 4.490 4.660 0.001 0.000 0.261 66 W C 2.365 178.673 176.519 -0.351 0.000 1.222 66 W CA 0.478 57.682 57.345 -0.235 0.000 1.191 66 W CB -0.559 28.769 29.460 -0.220 0.000 1.132 66 W HN 0.263 nan 8.180 nan 0.000 0.596 67 N N -0.114 118.547 118.700 -0.065 0.000 2.240 67 N HA -0.118 4.623 4.740 0.001 0.000 0.187 67 N C 1.958 177.389 175.510 -0.131 0.000 1.042 67 N CA 1.816 54.792 53.050 -0.124 0.000 0.861 67 N CB -1.396 37.057 38.487 -0.057 0.000 1.026 67 N HN 0.235 nan 8.380 nan 0.000 0.441 68 C N 1.884 121.111 119.300 -0.122 0.000 2.392 68 C HA -0.074 4.387 4.460 0.001 0.000 0.276 68 C C 2.647 177.576 174.990 -0.101 0.000 1.212 68 C CA 0.780 59.727 59.018 -0.119 0.000 1.791 68 C CB -1.373 26.262 27.740 -0.175 0.000 2.063 68 C HN 0.400 nan 8.230 nan 0.000 0.481 69 R N 1.173 121.605 120.500 -0.113 0.000 2.062 69 R HA -0.072 4.268 4.340 0.001 0.000 0.229 69 R C 2.727 179.063 176.300 0.060 0.000 1.128 69 R CA 1.379 57.464 56.100 -0.027 0.000 0.960 69 R CB -0.570 29.727 30.300 -0.004 0.000 0.855 69 R HN 0.615 nan 8.270 nan 0.000 0.432 70 R N 0.361 120.828 120.500 -0.054 0.000 2.249 70 R HA -0.134 4.207 4.340 0.001 0.000 0.230 70 R C 1.338 177.611 176.300 -0.045 0.000 1.121 70 R CA 1.616 57.598 56.100 -0.197 0.000 0.997 70 R CB 0.121 29.972 30.300 -0.749 0.000 0.867 70 R HN 0.434 nan 8.270 nan 0.000 0.465 71 E N -0.620 119.573 120.200 -0.012 0.000 2.035 71 E HA -0.126 4.225 4.350 0.001 0.000 0.191 71 E C 2.021 178.681 176.600 0.100 0.000 0.966 71 E CA 1.068 57.495 56.400 0.043 0.000 0.823 71 E CB -0.125 29.569 29.700 -0.010 0.000 0.791 71 E HN 0.207 nan 8.360 nan 0.000 0.459 72 V N 1.615 121.561 119.914 0.054 0.000 2.250 72 V HA -0.303 3.818 4.120 0.001 0.000 0.253 72 V C 2.450 178.640 176.094 0.161 0.000 1.065 72 V CA 2.218 64.560 62.300 0.070 0.000 1.039 72 V CB -1.286 30.549 31.823 0.020 0.000 0.647 72 V HN 0.349 nan 8.190 nan 0.000 0.446 73 L N 1.514 122.839 121.223 0.171 0.000 2.362 73 L HA -0.055 4.285 4.340 0.001 0.000 0.219 73 L C 2.415 179.424 176.870 0.232 0.000 1.134 73 L CA 2.134 57.091 54.840 0.195 0.000 0.807 73 L CB -1.640 40.549 42.059 0.217 0.000 0.927 73 L HN 0.722 nan 8.230 nan 0.000 0.447 74 Q N -1.268 118.711 119.800 0.297 0.000 2.403 74 Q HA -0.098 4.243 4.340 0.001 0.000 0.203 74 Q C 1.321 177.449 176.000 0.214 0.000 0.932 74 Q CA 0.464 56.434 55.803 0.278 0.000 0.945 74 Q CB -0.697 28.276 28.738 0.392 0.000 1.045 74 Q HN 0.756 nan 8.270 nan 0.000 0.511 75 H N 0.339 119.470 119.070 0.101 0.000 2.567 75 H HA 0.214 4.771 4.556 0.001 0.000 0.294 75 H C -0.139 175.216 175.328 0.046 0.000 1.050 75 H CA 0.069 56.156 56.048 0.065 0.000 1.168 75 H CB 0.541 30.334 29.762 0.052 0.000 1.422 75 H HN 0.292 nan 8.280 nan 0.000 0.562 76 L N -0.520 120.695 121.223 -0.014 0.000 3.888 76 L HA 0.088 4.429 4.340 0.001 0.000 0.369 76 L C 1.266 178.120 176.870 -0.026 0.000 1.200 76 L CA 0.083 54.889 54.840 -0.055 0.000 1.268 76 L CB 0.661 42.715 42.059 -0.009 0.000 1.573 76 L HN -0.034 nan 8.230 nan 0.000 0.632 77 E N 0.033 120.234 120.200 0.002 0.000 2.476 77 E HA 0.201 4.552 4.350 0.001 0.000 0.191 77 E C 0.593 177.180 176.600 -0.021 0.000 1.064 77 E CA 0.551 56.946 56.400 -0.009 0.000 0.866 77 E CB 0.433 30.133 29.700 -0.001 0.000 0.952 77 E HN 0.350 nan 8.360 nan 0.000 0.492 78 T N -0.976 113.561 114.554 -0.028 0.000 3.259 78 T HA 0.060 4.411 4.350 0.001 0.000 0.287 78 T C 0.952 175.622 174.700 -0.050 0.000 0.874 78 T CA -0.306 61.777 62.100 -0.029 0.000 0.878 78 T CB 0.799 69.661 68.868 -0.010 0.000 1.223 78 T HN -0.035 nan 8.240 nan 0.000 0.630 79 E N 1.972 122.122 120.200 -0.083 0.000 2.430 79 E HA 0.337 4.688 4.350 0.001 0.000 0.253 79 E C 0.344 176.893 176.600 -0.085 0.000 0.903 79 E CA 0.090 56.421 56.400 -0.116 0.000 1.082 79 E CB -0.365 29.188 29.700 -0.245 0.000 1.751 79 E HN 0.065 nan 8.360 nan 0.000 0.530 80 K N 2.137 122.483 120.400 -0.091 0.000 2.393 80 K HA 0.002 4.323 4.320 0.001 0.000 0.264 80 K C 0.383 176.958 176.600 -0.042 0.000 0.979 80 K CA 0.165 56.417 56.287 -0.058 0.000 0.893 80 K CB -0.079 32.392 32.500 -0.048 0.000 0.967 80 K HN 0.321 nan 8.250 nan 0.000 0.521 81 S N 0.589 116.269 115.700 -0.033 0.000 2.549 81 S HA 0.089 4.560 4.470 0.001 0.000 0.286 81 S C -1.856 172.728 174.600 -0.028 0.000 1.314 81 S CA -0.959 57.224 58.200 -0.028 0.000 1.062 81 S CB 0.721 63.907 63.200 -0.024 0.000 0.865 81 S HN 0.321 nan 8.310 nan 0.000 0.498 82 P HA -0.007 nan 4.420 nan 0.000 0.229 82 P C 0.479 177.762 177.300 -0.028 0.000 1.150 82 P CA 0.775 63.857 63.100 -0.030 0.000 0.765 82 P CB 0.035 31.717 31.700 -0.030 0.000 0.783 83 E N -1.299 118.886 120.200 -0.025 0.000 2.479 83 E HA -0.021 4.330 4.350 0.001 0.000 0.193 83 E C 1.486 178.073 176.600 -0.022 0.000 1.049 83 E CA 0.298 56.684 56.400 -0.023 0.000 0.870 83 E CB -0.145 29.542 29.700 -0.021 0.000 0.944 83 E HN 0.430 nan 8.360 nan 0.000 0.492 84 E N -0.833 119.353 120.200 -0.022 0.000 2.444 84 E HA -0.038 4.313 4.350 0.001 0.000 0.203 84 E C 1.651 178.240 176.600 -0.019 0.000 0.847 84 E CA 0.781 57.169 56.400 -0.020 0.000 1.142 84 E CB 0.089 29.778 29.700 -0.019 0.000 1.125 84 E HN 0.159 nan 8.360 nan 0.000 0.521 85 S N 1.566 117.254 115.700 -0.021 0.000 2.361 85 S HA -0.083 4.388 4.470 0.001 0.000 0.214 85 S C 2.298 176.882 174.600 -0.026 0.000 1.034 85 S CA 1.127 59.316 58.200 -0.019 0.000 1.025 85 S CB -0.881 62.304 63.200 -0.024 0.000 0.996 85 S HN 0.340 nan 8.310 nan 0.000 0.422 86 A N 1.864 124.663 122.820 -0.034 0.000 2.084 86 A HA 0.158 4.479 4.320 0.001 0.000 0.221 86 A C 2.326 179.888 177.584 -0.035 0.000 1.161 86 A CA 1.977 53.989 52.037 -0.041 0.000 0.653 86 A CB -1.326 17.648 19.000 -0.043 0.000 0.802 86 A HN 0.913 nan 8.150 nan 0.000 0.457 87 A N -1.004 121.799 122.820 -0.028 0.000 1.861 87 A HA 0.205 4.526 4.320 0.001 0.000 0.212 87 A C 1.902 179.473 177.584 -0.021 0.000 1.199 87 A CA 1.070 53.092 52.037 -0.025 0.000 0.613 87 A CB -0.467 18.519 19.000 -0.023 0.000 0.846 87 A HN 0.368 nan 8.150 nan 0.000 0.446 88 L N 0.497 121.710 121.223 -0.018 0.000 2.362 88 L HA -0.068 4.273 4.340 0.001 0.000 0.219 88 L C 2.351 179.218 176.870 -0.005 0.000 1.134 88 L CA 1.110 55.943 54.840 -0.012 0.000 0.807 88 L CB -0.867 41.187 42.059 -0.007 0.000 0.927 88 L HN 0.226 nan 8.230 nan 0.000 0.447 89 V N 1.192 121.098 119.914 -0.014 0.000 2.214 89 V HA -0.355 3.765 4.120 0.001 0.000 0.245 89 V C 2.617 178.701 176.094 -0.016 0.000 1.047 89 V CA 2.417 64.705 62.300 -0.020 0.000 0.998 89 V CB -0.511 31.285 31.823 -0.044 0.000 0.633 89 V HN 0.577 nan 8.190 nan 0.000 0.446 90 K N 1.136 121.522 120.400 -0.023 0.000 2.211 90 K HA -0.142 4.179 4.320 0.001 0.000 0.204 90 K C 1.978 178.579 176.600 0.002 0.000 1.047 90 K CA 1.780 58.057 56.287 -0.017 0.000 0.935 90 K CB -0.585 31.902 32.500 -0.022 0.000 0.728 90 K HN 0.379 nan 8.250 nan 0.000 0.452 91 A N 1.485 124.306 122.820 0.002 0.000 2.024 91 A HA -0.176 4.145 4.320 0.001 0.000 0.220 91 A C 1.951 179.563 177.584 0.047 0.000 1.164 91 A CA 1.520 53.562 52.037 0.009 0.000 0.643 91 A CB -0.254 18.738 19.000 -0.013 0.000 0.806 91 A HN 0.389 nan 8.150 nan 0.000 0.451 92 E N -0.354 119.880 120.200 0.056 0.000 2.030 92 E HA -0.044 4.307 4.350 0.001 0.000 0.189 92 E C 1.821 178.476 176.600 0.092 0.000 0.974 92 E CA 0.722 57.190 56.400 0.112 0.000 0.807 92 E CB -0.456 29.278 29.700 0.058 0.000 0.771 92 E HN 0.471 nan 8.360 nan 0.000 0.451 93 L N 0.704 121.944 121.223 0.029 0.000 2.357 93 L HA -0.175 4.166 4.340 0.001 0.000 0.220 93 L C 2.176 179.053 176.870 0.012 0.000 1.123 93 L CA 1.776 56.616 54.840 0.000 0.000 0.782 93 L CB -0.919 41.135 42.059 -0.009 0.000 0.910 93 L HN 0.165 nan 8.230 nan 0.000 0.442 94 G N -1.980 106.852 108.800 0.053 0.000 2.490 94 G HA2 -0.206 3.755 3.960 0.001 0.000 0.211 94 G HA3 -0.206 3.755 3.960 0.001 0.000 0.211 94 G C 1.458 176.432 174.900 0.123 0.000 1.159 94 G CA 0.182 45.321 45.100 0.065 0.000 0.819 94 G HN 0.296 nan 8.290 nan 0.000 0.539 95 F N 1.829 121.767 119.950 -0.020 0.000 2.134 95 F HA 0.038 4.566 4.527 0.001 0.000 0.299 95 F C 2.367 178.172 175.800 0.007 0.000 1.097 95 F CA 0.904 58.898 58.000 -0.009 0.000 1.264 95 F CB -0.534 38.458 39.000 -0.012 0.000 1.001 95 F HN 0.025 nan 8.300 nan 0.000 0.479 96 L N -0.066 121.078 121.223 -0.132 0.000 1.971 96 L HA -0.258 4.083 4.340 0.001 0.000 0.215 96 L C 2.451 179.152 176.870 -0.281 0.000 1.072 96 L CA 1.932 56.603 54.840 -0.281 0.000 0.758 96 L CB -0.987 40.934 42.059 -0.230 0.000 0.889 96 L HN 0.026 nan 8.230 nan 0.000 0.433 97 E N 0.101 120.201 120.200 -0.166 0.000 2.147 97 E HA -0.207 4.144 4.350 0.001 0.000 0.199 97 E C 2.289 178.873 176.600 -0.027 0.000 1.005 97 E CA 1.626 57.987 56.400 -0.064 0.000 0.810 97 E CB -0.235 29.480 29.700 0.025 0.000 0.736 97 E HN 0.323 nan 8.360 nan 0.000 0.460 98 S N -0.668 115.007 115.700 -0.042 0.000 2.382 98 S HA -0.168 4.303 4.470 0.001 0.000 0.228 98 S C 2.055 176.616 174.600 -0.065 0.000 1.027 98 S CA 1.019 59.213 58.200 -0.010 0.000 0.991 98 S CB -0.331 62.917 63.200 0.080 0.000 0.823 98 S HN 0.400 nan 8.310 nan 0.000 0.469 99 C N 1.193 120.375 119.300 -0.197 0.000 2.500 99 C HA 0.166 4.626 4.460 0.001 0.000 0.279 99 C C 2.504 177.409 174.990 -0.142 0.000 1.288 99 C CA 0.174 59.082 59.018 -0.184 0.000 1.710 99 C CB -1.396 26.196 27.740 -0.247 0.000 2.052 99 C HN 0.533 nan 8.230 nan 0.000 0.488 100 L N 0.271 121.355 121.223 -0.232 0.000 2.083 100 L HA -0.167 4.174 4.340 0.001 0.000 0.209 100 L C 2.781 179.696 176.870 0.076 0.000 1.083 100 L CA 1.271 55.960 54.840 -0.252 0.000 0.752 100 L CB -0.650 41.008 42.059 -0.669 0.000 0.899 100 L HN 0.255 nan 8.230 nan 0.000 0.433 101 R N -0.177 120.400 120.500 0.129 0.000 2.115 101 R HA -0.196 4.145 4.340 0.001 0.000 0.239 101 R C 2.233 178.578 176.300 0.075 0.000 1.133 101 R CA 1.811 57.983 56.100 0.120 0.000 0.935 101 R CB -1.094 29.232 30.300 0.044 0.000 0.853 101 R HN 0.213 nan 8.270 nan 0.000 0.433 102 V N 0.575 120.512 119.914 0.038 0.000 2.667 102 V HA -0.008 4.113 4.120 0.001 0.000 0.252 102 V C -0.429 175.685 176.094 0.033 0.000 1.065 102 V CA 1.275 63.595 62.300 0.034 0.000 1.083 102 V CB -0.138 31.702 31.823 0.028 0.000 0.692 102 V HN 0.359 nan 8.190 nan 0.000 0.468 103 N N 0.083 118.791 118.700 0.012 0.000 2.675 103 N HA 0.296 5.037 4.740 0.001 0.000 0.254 103 N C -2.548 172.935 175.510 -0.046 0.000 1.224 103 N CA -0.861 52.185 53.050 -0.007 0.000 0.777 103 N CB 1.773 40.254 38.487 -0.011 0.000 1.256 103 N HN 0.195 nan 8.380 nan 0.000 0.531 104 P HA -0.043 nan 4.420 nan 0.000 0.216 104 P C -0.218 177.079 177.300 -0.004 0.000 1.153 104 P CA 1.181 64.322 63.100 0.067 0.000 0.844 104 P CB 0.451 32.275 31.700 0.205 0.000 0.787 105 K N 0.283 120.596 120.400 -0.144 0.000 2.284 105 K HA 0.460 4.781 4.320 0.001 0.000 0.287 105 K C -0.181 176.152 176.600 -0.446 0.000 1.081 105 K CA 0.053 56.056 56.287 -0.474 0.000 0.910 105 K CB 0.435 32.835 32.500 -0.167 0.000 1.088 105 K HN -0.185 nan 8.250 nan 0.000 0.478 106 S N 2.871 118.148 115.700 -0.705 0.000 2.194 106 S HA 0.074 4.545 4.470 0.001 0.000 0.249 106 S C -0.043 174.431 174.600 -0.210 0.000 0.777 106 S CA -0.660 57.354 58.200 -0.310 0.000 0.947 106 S CB -0.203 62.897 63.200 -0.166 0.000 1.282 106 S HN 0.604 nan 8.310 nan 0.000 0.383 107 Y N 2.399 122.683 120.300 -0.028 0.000 2.228 107 Y HA -0.124 4.426 4.550 0.001 0.000 0.285 107 Y C 2.417 178.282 175.900 -0.058 0.000 1.178 107 Y CA 2.056 60.192 58.100 0.060 0.000 1.202 107 Y CB -0.414 38.091 38.460 0.074 0.000 0.974 107 Y HN 0.741 nan 8.280 nan 0.000 0.527 108 G N -0.723 108.040 108.800 -0.061 0.000 2.453 108 G HA2 -0.245 3.716 3.960 0.001 0.000 0.215 108 G HA3 -0.245 3.716 3.960 0.001 0.000 0.215 108 G C 1.723 176.105 174.900 -0.864 0.000 1.201 108 G CA 1.621 46.450 45.100 -0.451 0.000 0.784 108 G HN 0.337 nan 8.290 nan 0.000 0.545 109 T N 0.635 114.630 114.554 -0.932 0.000 2.529 109 T HA -0.233 4.117 4.350 0.001 0.000 0.261 109 T C 1.958 176.333 174.700 -0.541 0.000 1.110 109 T CA 1.691 63.187 62.100 -1.007 0.000 1.192 109 T CB -0.606 67.860 68.868 -0.670 0.000 0.864 109 T HN 0.487 nan 8.240 nan 0.000 0.407 110 W N 1.152 122.229 121.300 -0.373 0.000 2.292 110 W HA -0.211 4.450 4.660 0.001 0.000 0.304 110 W C 2.503 178.994 176.519 -0.048 0.000 1.228 110 W CA 1.578 58.788 57.345 -0.224 0.000 1.241 110 W CB -0.605 28.759 29.460 -0.161 0.000 1.142 110 W HN 0.527 nan 8.180 nan 0.000 0.520 111 H N -1.476 117.641 119.070 0.079 0.000 2.326 111 H HA -0.198 4.359 4.556 0.001 0.000 0.301 111 H C 2.114 177.533 175.328 0.152 0.000 1.081 111 H CA 2.223 58.320 56.048 0.081 0.000 1.334 111 H CB -0.585 29.173 29.762 -0.006 0.000 1.385 111 H HN 0.307 nan 8.280 nan 0.000 0.504 112 H N 0.338 119.314 119.070 -0.157 0.000 2.319 112 H HA -0.174 4.383 4.556 0.001 0.000 0.297 112 H C 2.792 178.204 175.328 0.139 0.000 1.097 112 H CA 1.503 57.547 56.048 -0.006 0.000 1.285 112 H CB 0.126 29.905 29.762 0.028 0.000 1.368 112 H HN 0.257 nan 8.280 nan 0.000 0.495 113 R N 0.106 120.696 120.500 0.149 0.000 2.083 113 R HA -0.158 4.183 4.340 0.001 0.000 0.237 113 R C 2.485 178.993 176.300 0.347 0.000 1.137 113 R CA 1.944 58.142 56.100 0.162 0.000 0.951 113 R CB -0.628 29.668 30.300 -0.007 0.000 0.851 113 R HN 0.379 nan 8.270 nan 0.000 0.434 114 C N -0.393 119.112 119.300 0.343 0.000 2.413 114 C HA -0.138 4.322 4.460 0.001 0.000 0.276 114 C C 2.287 177.361 174.990 0.139 0.000 1.248 114 C CA 0.580 59.686 59.018 0.147 0.000 1.742 114 C CB -1.433 26.123 27.740 -0.306 0.000 2.017 114 C HN 0.759 nan 8.230 nan 0.000 0.481 115 W N 1.352 122.579 121.300 -0.122 0.000 2.332 115 W HA -0.136 4.525 4.660 0.001 0.000 0.321 115 W C 2.276 178.847 176.519 0.087 0.000 1.219 115 W CA 1.586 58.897 57.345 -0.055 0.000 1.277 115 W CB -0.989 28.426 29.460 -0.075 0.000 1.161 115 W HN 0.220 nan 8.180 nan 0.000 0.476 116 L N 0.888 122.207 121.223 0.161 0.000 1.956 116 L HA -0.241 4.100 4.340 0.001 0.000 0.216 116 L C 2.263 179.078 176.870 -0.092 0.000 1.073 116 L CA 2.002 56.784 54.840 -0.096 0.000 0.762 116 L CB -1.523 40.573 42.059 0.062 0.000 0.889 116 L HN 0.046 nan 8.230 nan 0.000 0.433 117 L N -0.588 120.692 121.223 0.095 0.000 2.651 117 L HA -0.135 4.206 4.340 0.001 0.000 0.236 117 L C 2.377 179.366 176.870 0.198 0.000 1.173 117 L CA 1.496 56.398 54.840 0.103 0.000 0.843 117 L CB -1.719 40.551 42.059 0.352 0.000 0.964 117 L HN 0.487 nan 8.230 nan 0.000 0.454 118 S N -0.657 115.133 115.700 0.151 0.000 2.444 118 S HA 0.015 4.486 4.470 0.001 0.000 0.223 118 S C 2.023 176.610 174.600 -0.021 0.000 1.054 118 S CA -0.008 58.299 58.200 0.178 0.000 0.947 118 S CB 0.304 63.584 63.200 0.134 0.000 0.850 118 S HN 0.339 nan 8.310 nan 0.000 0.527 119 R N 0.853 121.221 120.500 -0.220 0.000 2.082 119 R HA 0.024 4.365 4.340 0.001 0.000 0.234 119 R C 0.479 176.676 176.300 -0.170 0.000 1.136 119 R CA 0.780 56.728 56.100 -0.253 0.000 0.935 119 R CB -0.999 29.021 30.300 -0.466 0.000 0.842 119 R HN 0.367 nan 8.270 nan 0.000 0.430 120 L N 2.393 123.502 121.223 -0.190 0.000 2.837 120 L HA -0.135 4.206 4.340 0.001 0.000 0.300 120 L C -1.430 175.353 176.870 -0.146 0.000 1.211 120 L CA -0.562 54.175 54.840 -0.171 0.000 0.890 120 L CB -0.158 41.776 42.059 -0.210 0.000 1.200 120 L HN 0.075 nan 8.230 nan 0.000 0.492 121 P HA -0.107 nan 4.420 nan 0.000 0.217 121 P C 0.116 177.349 177.300 -0.112 0.000 1.151 121 P CA 0.950 63.994 63.100 -0.093 0.000 0.828 121 P CB 0.148 31.803 31.700 -0.075 0.000 0.788 122 E N 0.978 121.087 120.200 -0.151 0.000 2.146 122 E HA 0.187 4.538 4.350 0.001 0.000 0.282 122 E C -2.543 173.872 176.600 -0.308 0.000 0.989 122 E CA -2.638 53.657 56.400 -0.175 0.000 0.799 122 E CB 0.621 30.236 29.700 -0.142 0.000 1.088 122 E HN 0.021 nan 8.360 nan 0.000 0.397 123 P HA 0.124 nan 4.420 nan 0.000 0.259 123 P C -0.070 176.853 177.300 -0.629 0.000 1.635 123 P CA 0.045 62.751 63.100 -0.656 0.000 1.199 123 P CB -0.294 31.256 31.700 -0.250 0.000 1.850 124 N N 1.069 119.354 118.700 -0.692 0.000 2.501 124 N HA -0.076 4.665 4.740 0.001 0.000 0.195 124 N C 0.936 176.302 175.510 -0.241 0.000 1.213 124 N CA 0.035 52.859 53.050 -0.375 0.000 0.864 124 N CB -0.356 37.958 38.487 -0.289 0.000 0.999 124 N HN 0.360 nan 8.380 nan 0.000 0.454 125 W N 0.437 121.706 121.300 -0.051 0.000 2.276 125 W HA -0.346 4.315 4.660 0.001 0.000 0.307 125 W C 2.346 178.839 176.519 -0.043 0.000 1.240 125 W CA 0.808 58.111 57.345 -0.070 0.000 1.249 125 W CB -0.509 28.884 29.460 -0.112 0.000 1.140 125 W HN 0.202 nan 8.180 nan 0.000 0.519 126 A N 0.684 123.603 122.820 0.166 0.000 1.896 126 A HA -0.321 4.000 4.320 0.001 0.000 0.220 126 A C 1.893 179.527 177.584 0.084 0.000 1.206 126 A CA 2.385 54.479 52.037 0.095 0.000 0.647 126 A CB -1.080 17.947 19.000 0.046 0.000 0.828 126 A HN 0.385 nan 8.150 nan 0.000 0.455 127 R N -1.120 119.420 120.500 0.068 0.000 2.280 127 R HA -0.074 4.267 4.340 0.001 0.000 0.207 127 R C 1.847 178.214 176.300 0.112 0.000 1.043 127 R CA 1.128 57.268 56.100 0.066 0.000 1.006 127 R CB -0.072 30.248 30.300 0.033 0.000 0.885 127 R HN 0.592 nan 8.270 nan 0.000 0.467 128 E N 0.118 120.422 120.200 0.173 0.000 2.021 128 E HA -0.096 4.255 4.350 0.001 0.000 0.189 128 E C 1.329 178.044 176.600 0.191 0.000 0.980 128 E CA 0.791 57.346 56.400 0.259 0.000 0.803 128 E CB -0.109 29.839 29.700 0.413 0.000 0.766 128 E HN 0.097 nan 8.360 nan 0.000 0.449 129 L N 1.283 122.574 121.223 0.113 0.000 2.556 129 L HA -0.169 4.172 4.340 0.001 0.000 0.230 129 L C 1.439 178.322 176.870 0.021 0.000 1.163 129 L CA 1.559 56.405 54.840 0.009 0.000 0.819 129 L CB -0.340 41.696 42.059 -0.038 0.000 0.939 129 L HN 0.206 nan 8.230 nan 0.000 0.452 130 E N -1.649 118.596 120.200 0.075 0.000 2.244 130 E HA -0.039 4.312 4.350 0.001 0.000 0.196 130 E C 2.092 178.756 176.600 0.107 0.000 0.939 130 E CA 0.156 56.604 56.400 0.080 0.000 0.884 130 E CB -0.147 29.593 29.700 0.066 0.000 0.850 130 E HN 0.366 nan 8.360 nan 0.000 0.481 131 L N 0.951 122.255 121.223 0.136 0.000 2.131 131 L HA -0.160 4.181 4.340 0.001 0.000 0.210 131 L C 2.141 179.181 176.870 0.284 0.000 1.092 131 L CA 0.907 55.861 54.840 0.191 0.000 0.759 131 L CB -0.089 42.070 42.059 0.167 0.000 0.903 131 L HN 0.291 nan 8.230 nan 0.000 0.435 132 C N -0.319 119.112 119.300 0.218 0.000 2.548 132 C HA -0.109 4.352 4.460 0.001 0.000 0.284 132 C C 3.037 178.119 174.990 0.153 0.000 1.252 132 C CA 0.880 60.014 59.018 0.194 0.000 1.725 132 C CB -0.994 26.785 27.740 0.064 0.000 2.098 132 C HN 0.708 nan 8.230 nan 0.000 0.471 133 A N 0.095 122.982 122.820 0.111 0.000 2.104 133 A HA -0.307 4.013 4.320 0.001 0.000 0.223 133 A C 2.102 179.768 177.584 0.137 0.000 1.164 133 A CA 2.328 54.502 52.037 0.227 0.000 0.659 133 A CB -0.673 18.500 19.000 0.288 0.000 0.808 133 A HN 0.729 nan 8.150 nan 0.000 0.465 134 R N -1.658 118.913 120.500 0.119 0.000 2.061 134 R HA -0.060 4.280 4.340 0.001 0.000 0.230 134 R C 1.719 177.992 176.300 -0.044 0.000 1.140 134 R CA 1.885 57.992 56.100 0.011 0.000 0.940 134 R CB -0.399 29.886 30.300 -0.024 0.000 0.839 134 R HN 0.447 nan 8.270 nan 0.000 0.429 135 F N 0.617 120.593 119.950 0.043 0.000 2.259 135 F HA -0.002 4.526 4.527 0.001 0.000 0.298 135 F C 1.958 177.778 175.800 0.034 0.000 1.088 135 F CA 0.752 58.789 58.000 0.061 0.000 1.358 135 F CB -0.102 38.988 39.000 0.150 0.000 1.040 135 F HN 0.013 nan 8.300 nan 0.000 0.505 136 L N -0.500 120.814 121.223 0.151 0.000 2.131 136 L HA -0.183 4.158 4.340 0.001 0.000 0.210 136 L C 2.186 179.082 176.870 0.044 0.000 1.092 136 L CA 1.119 55.964 54.840 0.008 0.000 0.759 136 L CB -0.458 41.509 42.059 -0.154 0.000 0.903 136 L HN 0.042 nan 8.230 nan 0.000 0.435 137 E N 0.106 120.324 120.200 0.030 0.000 2.112 137 E HA -0.077 4.274 4.350 0.001 0.000 0.190 137 E C 2.248 178.848 176.600 -0.001 0.000 0.979 137 E CA 1.147 57.543 56.400 -0.007 0.000 0.814 137 E CB -0.255 29.428 29.700 -0.029 0.000 0.762 137 E HN 0.369 nan 8.360 nan 0.000 0.460 138 A N 0.446 123.265 122.820 -0.002 0.000 1.877 138 A HA -0.125 4.196 4.320 0.001 0.000 0.216 138 A C 0.964 178.586 177.584 0.062 0.000 1.186 138 A CA 1.569 53.605 52.037 -0.001 0.000 0.620 138 A CB 0.006 18.973 19.000 -0.056 0.000 0.822 138 A HN 0.125 nan 8.150 nan 0.000 0.443 139 D N -0.802 119.666 120.400 0.113 0.000 2.363 139 D HA 0.134 4.774 4.640 0.001 0.000 0.258 139 D C 0.581 177.003 176.300 0.204 0.000 1.259 139 D CA -0.215 53.880 54.000 0.157 0.000 0.921 139 D CB 0.511 41.422 40.800 0.185 0.000 1.201 139 D HN 0.364 nan 8.370 nan 0.000 0.524 140 E N 1.517 121.832 120.200 0.191 0.000 2.393 140 E HA -0.182 4.169 4.350 0.001 0.000 0.201 140 E C 0.250 177.138 176.600 0.481 0.000 1.025 140 E CA 0.574 57.154 56.400 0.300 0.000 0.856 140 E CB 0.081 29.898 29.700 0.194 0.000 0.771 140 E HN 0.221 nan 8.360 nan 0.000 0.526 141 R N 1.479 122.196 120.500 0.362 0.000 3.335 141 R HA 0.215 4.555 4.340 0.001 0.000 0.337 141 R C -0.227 176.288 176.300 0.358 0.000 1.283 141 R CA -0.228 56.081 56.100 0.349 0.000 1.246 141 R CB -0.558 29.892 30.300 0.249 0.000 1.464 141 R HN 0.027 nan 8.270 nan 0.000 0.607 142 N N 1.523 120.476 118.700 0.421 0.000 2.626 142 N HA 0.009 4.750 4.740 0.001 0.000 0.249 142 N C 0.775 176.451 175.510 0.275 0.000 1.021 142 N CA -0.325 52.882 53.050 0.262 0.000 0.886 142 N CB 0.454 39.039 38.487 0.165 0.000 1.149 142 N HN 0.058 nan 8.380 nan 0.000 0.517 143 F N 2.393 122.416 119.950 0.123 0.000 2.202 143 F HA -0.055 4.473 4.527 0.001 0.000 0.301 143 F C 1.503 177.219 175.800 -0.140 0.000 1.082 143 F CA 1.028 59.042 58.000 0.023 0.000 1.313 143 F CB -0.826 38.088 39.000 -0.143 0.000 1.024 143 F HN 0.431 nan 8.300 nan 0.000 0.495 144 H N -0.793 117.691 119.070 -0.976 0.000 2.352 144 H HA -0.174 4.383 4.556 0.001 0.000 0.299 144 H C 2.480 177.088 175.328 -1.200 0.000 1.097 144 H CA 2.038 57.411 56.048 -1.124 0.000 1.311 144 H CB -0.795 28.116 29.762 -1.419 0.000 1.377 144 H HN 0.539 nan 8.280 nan 0.000 0.504 145 C N -0.239 118.565 119.300 -0.827 0.000 2.476 145 C HA -0.134 4.326 4.460 0.001 0.000 0.278 145 C C 2.196 177.018 174.990 -0.280 0.000 1.274 145 C CA 0.427 59.005 59.018 -0.733 0.000 1.713 145 C CB -1.341 26.222 27.740 -0.295 0.000 2.039 145 C HN 0.703 nan 8.230 nan 0.000 0.484 146 W N 1.119 122.322 121.300 -0.162 0.000 2.374 146 W HA -0.033 4.627 4.660 0.001 0.000 0.288 146 W C 2.158 178.585 176.519 -0.153 0.000 1.218 146 W CA 1.308 58.599 57.345 -0.091 0.000 1.245 146 W CB -0.499 28.945 29.460 -0.027 0.000 1.126 146 W HN 0.337 nan 8.180 nan 0.000 0.545 147 D N -1.406 119.027 120.400 0.055 0.000 2.123 147 D HA -0.213 4.427 4.640 0.001 0.000 0.200 147 D C 1.734 178.040 176.300 0.011 0.000 0.976 147 D CA 1.185 55.185 54.000 0.001 0.000 0.831 147 D CB -0.868 39.918 40.800 -0.023 0.000 0.974 147 D HN 0.179 nan 8.370 nan 0.000 0.469 148 Y N 1.525 121.740 120.300 -0.142 0.000 2.181 148 Y HA -0.182 4.369 4.550 0.001 0.000 0.288 148 Y C 2.469 178.444 175.900 0.125 0.000 1.146 148 Y CA 1.717 59.848 58.100 0.051 0.000 1.164 148 Y CB 0.039 38.509 38.460 0.017 0.000 0.982 148 Y HN -0.191 nan 8.280 nan 0.000 0.515 149 R N 0.201 120.762 120.500 0.101 0.000 2.081 149 R HA -0.176 4.165 4.340 0.001 0.000 0.235 149 R C 2.449 178.689 176.300 -0.100 0.000 1.131 149 R CA 1.610 57.700 56.100 -0.016 0.000 0.960 149 R CB -0.283 29.964 30.300 -0.088 0.000 0.856 149 R HN 0.280 nan 8.270 nan 0.000 0.436 150 R N -0.552 119.900 120.500 -0.079 0.000 2.127 150 R HA -0.177 4.164 4.340 0.001 0.000 0.238 150 R C 2.117 178.364 176.300 -0.089 0.000 1.134 150 R CA 1.719 57.757 56.100 -0.105 0.000 0.975 150 R CB -0.374 29.841 30.300 -0.141 0.000 0.865 150 R HN 0.260 nan 8.270 nan 0.000 0.447 151 F N 0.754 120.541 119.950 -0.271 0.000 2.060 151 F HA -0.172 4.356 4.527 0.001 0.000 0.295 151 F C 1.903 177.414 175.800 -0.481 0.000 1.120 151 F CA 1.336 59.129 58.000 -0.345 0.000 1.205 151 F CB -0.786 37.966 39.000 -0.414 0.000 0.986 151 F HN -0.286 nan 8.300 nan 0.000 0.470 152 V N 1.234 120.590 119.914 -0.930 0.000 2.332 152 V HA -0.310 3.811 4.120 0.001 0.000 0.248 152 V C 2.862 178.480 176.094 -0.794 0.000 1.055 152 V CA 1.932 63.562 62.300 -1.116 0.000 1.038 152 V CB -1.861 29.645 31.823 -0.528 0.000 0.651 152 V HN 0.556 nan 8.190 nan 0.000 0.450 153 A N -0.059 122.494 122.820 -0.446 0.000 1.902 153 A HA -0.086 4.234 4.320 0.001 0.000 0.217 153 A C 2.409 179.807 177.584 -0.309 0.000 1.181 153 A CA 2.057 53.920 52.037 -0.291 0.000 0.623 153 A CB -0.717 18.210 19.000 -0.121 0.000 0.818 153 A HN 0.578 nan 8.150 nan 0.000 0.443 154 A N -1.205 121.426 122.820 -0.315 0.000 1.930 154 A HA -0.112 4.208 4.320 0.001 0.000 0.217 154 A C 2.150 179.519 177.584 -0.357 0.000 1.175 154 A CA 1.497 53.385 52.037 -0.248 0.000 0.627 154 A CB -0.362 18.548 19.000 -0.151 0.000 0.815 154 A HN 0.506 nan 8.150 nan 0.000 0.443 155 Q N -0.283 119.124 119.800 -0.655 0.000 1.990 155 Q HA -0.031 4.310 4.340 0.001 0.000 0.200 155 Q C 2.119 177.686 176.000 -0.723 0.000 0.980 155 Q CA 1.649 56.958 55.803 -0.823 0.000 0.832 155 Q CB -0.888 26.836 28.738 -1.691 0.000 0.897 155 Q HN 0.584 nan 8.270 nan 0.000 0.427 156 A N 0.443 122.705 122.820 -0.930 0.000 2.265 156 A HA 0.361 4.681 4.320 0.001 0.000 0.213 156 A C 1.043 178.486 177.584 -0.234 0.000 1.255 156 A CA 0.785 52.542 52.037 -0.467 0.000 0.862 156 A CB -0.674 18.122 19.000 -0.340 0.000 0.852 156 A HN 0.378 nan 8.150 nan 0.000 0.484 157 A N -1.364 121.309 122.820 -0.245 0.000 2.715 157 A HA -0.136 4.185 4.320 0.001 0.000 0.301 157 A C 0.561 178.079 177.584 -0.110 0.000 1.515 157 A CA 0.747 52.697 52.037 -0.145 0.000 0.816 157 A CB -2.598 16.348 19.000 -0.090 0.000 1.004 157 A HN 0.984 nan 8.150 nan 0.000 0.483 158 V N -0.300 119.535 119.914 -0.131 0.000 2.644 158 V HA 0.228 4.349 4.120 0.001 0.000 0.305 158 V C 1.379 177.435 176.094 -0.063 0.000 1.053 158 V CA 0.425 62.672 62.300 -0.090 0.000 1.186 158 V CB 0.006 31.769 31.823 -0.101 0.000 0.895 158 V HN 1.488 nan 8.190 nan 0.000 0.490 159 A N 7.330 130.122 122.820 -0.047 0.000 2.511 159 A HA 0.321 4.642 4.320 0.001 0.000 0.242 159 A C -0.921 176.639 177.584 -0.041 0.000 1.069 159 A CA -0.797 51.216 52.037 -0.040 0.000 0.763 159 A CB -0.130 18.851 19.000 -0.032 0.000 1.001 159 A HN 0.750 nan 8.150 nan 0.000 0.498 160 P HA -0.242 nan 4.420 nan 0.000 0.215 160 P C 1.744 179.007 177.300 -0.061 0.000 1.157 160 P CA 2.556 65.627 63.100 -0.048 0.000 0.874 160 P CB 0.120 31.789 31.700 -0.051 0.000 0.790 161 A N -0.286 122.505 122.820 -0.048 0.000 1.978 161 A HA -0.284 4.037 4.320 0.001 0.000 0.220 161 A C 2.319 179.885 177.584 -0.030 0.000 1.170 161 A CA 1.920 53.937 52.037 -0.033 0.000 0.636 161 A CB -1.301 17.688 19.000 -0.018 0.000 0.810 161 A HN 0.231 nan 8.150 nan 0.000 0.448 162 E N -0.649 119.534 120.200 -0.029 0.000 2.051 162 E HA -0.258 4.093 4.350 0.001 0.000 0.192 162 E C 1.953 178.546 176.600 -0.012 0.000 0.991 162 E CA 1.528 57.918 56.400 -0.016 0.000 0.799 162 E CB -0.101 29.587 29.700 -0.020 0.000 0.748 162 E HN 0.588 nan 8.360 nan 0.000 0.449 163 E N 0.239 120.409 120.200 -0.051 0.000 2.152 163 E HA -0.123 4.228 4.350 0.001 0.000 0.192 163 E C 1.816 178.337 176.600 -0.131 0.000 0.983 163 E CA 0.293 56.641 56.400 -0.087 0.000 0.818 163 E CB -0.136 29.475 29.700 -0.149 0.000 0.758 163 E HN 0.198 nan 8.360 nan 0.000 0.467 164 L N -0.433 120.708 121.223 -0.136 0.000 2.450 164 L HA 0.018 4.359 4.340 0.001 0.000 0.224 164 L C 1.721 178.544 176.870 -0.078 0.000 1.149 164 L CA 1.557 56.317 54.840 -0.133 0.000 0.816 164 L CB -0.343 41.671 42.059 -0.076 0.000 0.932 164 L HN 0.147 nan 8.230 nan 0.000 0.449 165 A N -1.732 121.072 122.820 -0.027 0.000 1.997 165 A HA -0.057 4.263 4.320 0.001 0.000 0.212 165 A C 2.055 179.640 177.584 0.002 0.000 1.178 165 A CA 0.566 52.592 52.037 -0.019 0.000 0.698 165 A CB -0.809 18.191 19.000 0.001 0.000 0.842 165 A HN 0.419 nan 8.150 nan 0.000 0.458 166 F N 2.186 122.081 119.950 -0.091 0.000 2.269 166 F HA -0.179 4.349 4.527 0.001 0.000 0.301 166 F C 2.538 178.306 175.800 -0.054 0.000 1.082 166 F CA 2.191 60.153 58.000 -0.063 0.000 1.360 166 F CB -0.063 38.912 39.000 -0.041 0.000 1.041 166 F HN 0.341 nan 8.300 nan 0.000 0.512 167 T N -3.564 111.009 114.554 0.033 0.000 2.937 167 T HA -0.132 4.219 4.350 0.001 0.000 0.260 167 T C 1.943 176.491 174.700 -0.254 0.000 1.051 167 T CA 0.983 63.039 62.100 -0.073 0.000 1.141 167 T CB -0.647 68.142 68.868 -0.132 0.000 0.879 167 T HN 0.283 nan 8.240 nan 0.000 0.459 168 D N 1.944 122.206 120.400 -0.231 0.000 2.221 168 D HA -0.127 4.513 4.640 0.001 0.000 0.204 168 D C 2.358 178.515 176.300 -0.239 0.000 0.982 168 D CA 1.639 55.487 54.000 -0.253 0.000 0.857 168 D CB -0.050 40.649 40.800 -0.168 0.000 0.934 168 D HN 0.634 nan 8.370 nan 0.000 0.475 169 S N -0.104 115.455 115.700 -0.236 0.000 2.371 169 S HA -0.043 4.427 4.470 0.001 0.000 0.221 169 S C 2.200 176.633 174.600 -0.278 0.000 1.036 169 S CA 0.046 58.100 58.200 -0.243 0.000 0.965 169 S CB -0.467 62.578 63.200 -0.259 0.000 0.845 169 S HN 0.151 nan 8.310 nan 0.000 0.475 170 L N 1.248 122.265 121.223 -0.345 0.000 2.261 170 L HA 0.119 4.460 4.340 0.001 0.000 0.216 170 L C 2.212 178.957 176.870 -0.209 0.000 1.114 170 L CA 1.277 55.955 54.840 -0.270 0.000 0.777 170 L CB -1.103 40.850 42.059 -0.177 0.000 0.910 170 L HN 0.425 nan 8.230 nan 0.000 0.440 171 I N -0.678 119.726 120.570 -0.277 0.000 2.400 171 I HA -0.222 3.949 4.170 0.001 0.000 0.248 171 I C 2.521 178.523 176.117 -0.192 0.000 1.109 171 I CA 1.274 62.384 61.300 -0.316 0.000 1.425 171 I CB -0.147 37.491 38.000 -0.602 0.000 1.094 171 I HN 0.322 nan 8.210 nan 0.000 0.425 172 T N -0.588 113.859 114.554 -0.179 0.000 2.746 172 T HA -0.168 4.183 4.350 0.001 0.000 0.267 172 T C 1.980 176.623 174.700 -0.095 0.000 1.039 172 T CA 0.970 63.001 62.100 -0.115 0.000 1.142 172 T CB -0.376 68.424 68.868 -0.113 0.000 0.866 172 T HN 0.303 nan 8.240 nan 0.000 0.444 173 R N 1.566 121.990 120.500 -0.128 0.000 2.075 173 R HA 0.168 4.508 4.340 0.001 0.000 0.226 173 R C 0.883 177.070 176.300 -0.187 0.000 1.114 173 R CA 0.653 56.674 56.100 -0.132 0.000 0.972 173 R CB -0.513 29.698 30.300 -0.148 0.000 0.869 173 R HN 0.510 nan 8.270 nan 0.000 0.437 174 N N 0.595 119.163 118.700 -0.221 0.000 2.503 174 N HA 0.044 4.784 4.740 0.001 0.000 0.267 174 N C 0.227 175.615 175.510 -0.202 0.000 1.214 174 N CA -0.403 52.434 53.050 -0.356 0.000 0.959 174 N CB 0.512 38.858 38.487 -0.234 0.000 1.142 174 N HN 0.021 nan 8.380 nan 0.000 0.455 175 F N -1.551 118.439 119.950 0.066 0.000 2.559 175 F HA 0.389 4.917 4.527 0.001 0.000 0.286 175 F C 0.573 176.436 175.800 0.105 0.000 1.108 175 F CA -0.455 57.592 58.000 0.078 0.000 1.436 175 F CB 0.053 39.096 39.000 0.072 0.000 1.130 175 F HN 0.096 nan 8.300 nan 0.000 0.584 176 S N 1.886 117.884 115.700 0.497 0.000 2.399 176 S HA 0.338 4.809 4.470 0.001 0.000 0.215 176 S C -0.989 173.772 174.600 0.269 0.000 1.456 176 S CA -0.714 57.711 58.200 0.375 0.000 1.199 176 S CB -0.181 63.261 63.200 0.404 0.000 1.063 176 S HN 0.385 nan 8.310 nan 0.000 0.476 177 N N 1.229 120.078 118.700 0.248 0.000 2.696 177 N HA 0.248 4.989 4.740 0.001 0.000 0.246 177 N C -0.400 175.273 175.510 0.271 0.000 1.057 177 N CA -0.825 52.343 53.050 0.196 0.000 0.867 177 N CB 0.377 38.902 38.487 0.064 0.000 1.141 177 N HN 0.376 nan 8.380 nan 0.000 0.517 178 Y N 1.976 122.349 120.300 0.123 0.000 2.301 178 Y HA 0.067 4.617 4.550 0.001 0.000 0.295 178 Y C 1.687 177.582 175.900 -0.008 0.000 1.119 178 Y CA 0.977 59.145 58.100 0.112 0.000 1.162 178 Y CB 0.254 38.723 38.460 0.014 0.000 1.046 178 Y HN 0.432 nan 8.280 nan 0.000 0.538 179 S N -0.903 114.807 115.700 0.017 0.000 2.400 179 S HA -0.235 4.236 4.470 0.001 0.000 0.232 179 S C 2.179 176.342 174.600 -0.729 0.000 1.025 179 S CA 1.342 59.287 58.200 -0.424 0.000 0.993 179 S CB -0.638 62.017 63.200 -0.907 0.000 0.808 179 S HN 0.494 nan 8.310 nan 0.000 0.478 180 S N 0.370 115.751 115.700 -0.530 0.000 2.345 180 S HA -0.077 4.394 4.470 0.001 0.000 0.220 180 S C 1.495 175.914 174.600 -0.301 0.000 1.031 180 S CA 1.021 58.963 58.200 -0.429 0.000 0.996 180 S CB -0.468 62.577 63.200 -0.259 0.000 0.882 180 S HN 0.728 nan 8.310 nan 0.000 0.445 181 W N 0.943 122.084 121.300 -0.265 0.000 2.388 181 W HA -0.021 4.639 4.660 0.001 0.000 0.294 181 W C 2.515 178.951 176.519 -0.138 0.000 1.212 181 W CA 0.995 58.135 57.345 -0.341 0.000 1.271 181 W CB -0.771 28.417 29.460 -0.454 0.000 1.126 181 W HN 0.561 nan 8.180 nan 0.000 0.535 182 H N -0.984 118.058 119.070 -0.048 0.000 2.289 182 H HA -0.325 4.232 4.556 0.001 0.000 0.296 182 H C 2.107 177.457 175.328 0.037 0.000 1.091 182 H CA 2.347 58.351 56.048 -0.072 0.000 1.274 182 H CB -1.182 28.513 29.762 -0.111 0.000 1.364 182 H HN 0.112 nan 8.280 nan 0.000 0.490 183 Y N 1.925 121.979 120.300 -0.409 0.000 2.114 183 Y HA -0.206 4.345 4.550 0.001 0.000 0.282 183 Y C 2.510 178.315 175.900 -0.158 0.000 1.165 183 Y CA 2.003 59.897 58.100 -0.342 0.000 1.148 183 Y CB -0.548 37.809 38.460 -0.172 0.000 0.972 183 Y HN 0.258 nan 8.280 nan 0.000 0.504 184 R N -0.332 120.192 120.500 0.039 0.000 2.127 184 R HA -0.153 4.188 4.340 0.001 0.000 0.238 184 R C 2.555 178.991 176.300 0.227 0.000 1.134 184 R CA 1.616 57.757 56.100 0.068 0.000 0.975 184 R CB -0.603 29.733 30.300 0.061 0.000 0.865 184 R HN 0.461 nan 8.270 nan 0.000 0.447 185 S N -0.167 115.664 115.700 0.218 0.000 2.419 185 S HA -0.134 4.337 4.470 0.001 0.000 0.233 185 S C 2.005 176.605 174.600 -0.001 0.000 1.016 185 S CA 1.133 59.335 58.200 0.003 0.000 0.974 185 S CB -0.294 62.581 63.200 -0.542 0.000 0.786 185 S HN 0.391 nan 8.310 nan 0.000 0.492 186 C N 0.611 119.905 119.300 -0.010 0.000 2.527 186 C HA 0.424 4.885 4.460 0.001 0.000 0.280 186 C C 2.540 177.587 174.990 0.096 0.000 1.353 186 C CA -0.291 58.743 59.018 0.027 0.000 1.749 186 C CB -1.342 26.387 27.740 -0.017 0.000 2.088 186 C HN 0.545 nan 8.230 nan 0.000 0.508 187 L N 0.581 121.865 121.223 0.102 0.000 2.068 187 L HA -0.042 4.299 4.340 0.001 0.000 0.204 187 L C 2.496 179.407 176.870 0.069 0.000 1.076 187 L CA 1.311 56.181 54.840 0.049 0.000 0.753 187 L CB -0.645 41.368 42.059 -0.077 0.000 0.910 187 L HN 0.293 nan 8.230 nan 0.000 0.439 188 L N -0.333 120.981 121.223 0.151 0.000 2.083 188 L HA -0.151 4.190 4.340 0.001 0.000 0.209 188 L C -0.240 176.757 176.870 0.213 0.000 1.083 188 L CA 1.335 56.310 54.840 0.225 0.000 0.752 188 L CB -1.649 40.604 42.059 0.323 0.000 0.899 188 L HN 0.218 nan 8.230 nan 0.000 0.433 189 P HA -0.198 nan 4.420 nan 0.000 0.216 189 P C 0.976 178.323 177.300 0.078 0.000 1.153 189 P CA 1.123 64.324 63.100 0.168 0.000 0.848 189 P CB -0.082 31.732 31.700 0.189 0.000 0.787 190 Q N -1.017 118.808 119.800 0.042 0.000 2.387 190 Q HA 0.081 4.422 4.340 0.001 0.000 0.211 190 Q C 1.173 177.116 176.000 -0.094 0.000 0.952 190 Q CA 0.512 56.309 55.803 -0.009 0.000 0.957 190 Q CB -0.560 28.181 28.738 0.006 0.000 1.002 190 Q HN 0.293 nan 8.270 nan 0.000 0.502 191 L N -0.569 120.530 121.223 -0.206 0.000 2.653 191 L HA 0.270 4.610 4.340 0.001 0.000 0.230 191 L C 0.123 176.531 176.870 -0.770 0.000 1.055 191 L CA -0.091 54.431 54.840 -0.529 0.000 0.880 191 L CB 0.617 42.236 42.059 -0.733 0.000 1.195 191 L HN 0.339 nan 8.230 nan 0.000 0.492 192 H N -1.053 118.039 119.070 0.036 0.000 3.018 192 H HA 0.450 5.007 4.556 0.001 0.000 0.334 192 H C -2.605 172.742 175.328 0.032 0.000 0.983 192 H CA -0.974 55.092 56.048 0.029 0.000 1.363 192 H CB 1.056 30.834 29.762 0.025 0.000 1.668 192 H HN -0.153 nan 8.280 nan 0.000 0.513 201 G N 1.414 110.181 108.800 -0.055 0.000 2.856 201 G HA2 -0.299 3.662 3.960 0.001 0.000 0.674 201 G HA3 -0.299 3.662 3.960 0.001 0.000 0.674 201 G C -0.242 174.584 174.900 -0.124 0.000 1.519 201 G CA 0.444 45.489 45.100 -0.092 0.000 0.940 201 G HN 0.430 nan 8.290 nan 0.000 0.564 202 R N -0.322 120.049 120.500 -0.216 0.000 2.075 202 R HA 0.220 4.561 4.340 0.001 0.000 0.232 202 R C 1.231 177.395 176.300 -0.228 0.000 1.126 202 R CA 1.868 57.773 56.100 -0.325 0.000 0.963 202 R CB -0.239 29.655 30.300 -0.677 0.000 0.858 202 R HN 0.584 nan 8.270 nan 0.000 0.435 203 L N -0.688 120.425 121.223 -0.183 0.000 2.303 203 L HA 0.508 4.849 4.340 0.001 0.000 0.256 203 L C -2.316 174.512 176.870 -0.070 0.000 1.034 203 L CA -2.869 51.920 54.840 -0.084 0.000 0.832 203 L CB 2.208 44.221 42.059 -0.077 0.000 1.403 203 L HN -0.114 nan 8.230 nan 0.000 0.419 204 P HA -0.016 nan 4.420 nan 0.000 0.264 204 P C 0.188 177.444 177.300 -0.073 0.000 1.193 204 P CA 0.144 63.215 63.100 -0.048 0.000 0.763 204 P CB 0.732 32.407 31.700 -0.041 0.000 0.810 205 E N 4.587 124.753 120.200 -0.057 0.000 2.172 205 E HA -0.391 3.960 4.350 0.001 0.000 0.213 205 E C 1.574 178.136 176.600 -0.062 0.000 1.051 205 E CA 2.666 59.033 56.400 -0.055 0.000 0.860 205 E CB -0.687 28.990 29.700 -0.038 0.000 0.755 205 E HN 0.549 nan 8.360 nan 0.000 0.462 206 N N -0.619 118.039 118.700 -0.069 0.000 2.039 206 N HA -0.154 4.586 4.740 0.001 0.000 0.193 206 N C 1.745 177.190 175.510 -0.107 0.000 1.044 206 N CA 2.593 55.596 53.050 -0.078 0.000 0.847 206 N CB -0.549 37.891 38.487 -0.079 0.000 1.030 206 N HN 0.150 nan 8.380 nan 0.000 0.422 207 V N 0.812 120.623 119.914 -0.172 0.000 2.515 207 V HA -0.129 3.991 4.120 0.001 0.000 0.250 207 V C 2.442 178.477 176.094 -0.100 0.000 1.058 207 V CA 1.275 63.452 62.300 -0.206 0.000 1.064 207 V CB -0.751 30.834 31.823 -0.397 0.000 0.675 207 V HN 0.409 nan 8.190 nan 0.000 0.461 208 L N -0.466 120.701 121.223 -0.092 0.000 1.976 208 L HA -0.176 4.165 4.340 0.001 0.000 0.209 208 L C 2.399 179.238 176.870 -0.053 0.000 1.071 208 L CA 1.881 56.674 54.840 -0.079 0.000 0.746 208 L CB -0.247 41.752 42.059 -0.099 0.000 0.890 208 L HN 0.257 nan 8.230 nan 0.000 0.432 209 L N 0.002 121.195 121.223 -0.050 0.000 2.189 209 L HA -0.289 4.051 4.340 0.001 0.000 0.214 209 L C 2.581 179.441 176.870 -0.017 0.000 1.097 209 L CA 1.571 56.392 54.840 -0.031 0.000 0.764 209 L CB -0.582 41.459 42.059 -0.030 0.000 0.900 209 L HN 0.362 nan 8.230 nan 0.000 0.436 210 K N 0.480 120.868 120.400 -0.019 0.000 1.995 210 K HA -0.211 4.110 4.320 0.001 0.000 0.207 210 K C 2.096 178.714 176.600 0.030 0.000 1.041 210 K CA 1.224 57.508 56.287 -0.005 0.000 0.942 210 K CB -0.079 32.410 32.500 -0.018 0.000 0.731 210 K HN -0.074 nan 8.250 nan 0.000 0.439 211 E N 1.065 121.299 120.200 0.057 0.000 2.147 211 E HA -0.193 4.157 4.350 0.001 0.000 0.199 211 E C 1.892 178.584 176.600 0.154 0.000 1.005 211 E CA 1.364 57.854 56.400 0.149 0.000 0.810 211 E CB -0.303 29.520 29.700 0.206 0.000 0.736 211 E HN 0.402 nan 8.360 nan 0.000 0.460 212 L N 0.167 121.431 121.223 0.069 0.000 1.994 212 L HA -0.218 4.123 4.340 0.001 0.000 0.208 212 L C 2.406 179.304 176.870 0.046 0.000 1.071 212 L CA 1.843 56.707 54.840 0.041 0.000 0.745 212 L CB -0.435 41.623 42.059 -0.002 0.000 0.892 212 L HN 0.209 nan 8.230 nan 0.000 0.431 213 E N -0.209 120.007 120.200 0.027 0.000 2.085 213 E HA -0.293 4.058 4.350 0.001 0.000 0.194 213 E C 2.081 178.677 176.600 -0.008 0.000 0.994 213 E CA 1.255 57.654 56.400 -0.001 0.000 0.801 213 E CB -0.276 29.419 29.700 -0.008 0.000 0.743 213 E HN 0.264 nan 8.360 nan 0.000 0.453 214 L N 0.573 121.821 121.223 0.043 0.000 2.191 214 L HA -0.116 4.225 4.340 0.001 0.000 0.212 214 L C 2.134 179.092 176.870 0.147 0.000 1.103 214 L CA 1.232 56.121 54.840 0.081 0.000 0.769 214 L CB -0.077 42.051 42.059 0.116 0.000 0.908 214 L HN -0.016 nan 8.230 nan 0.000 0.438 215 V N -1.173 118.788 119.914 0.079 0.000 2.685 215 V HA -0.168 3.953 4.120 0.001 0.000 0.244 215 V C 2.405 178.161 176.094 -0.563 0.000 1.054 215 V CA 1.425 63.641 62.300 -0.139 0.000 1.076 215 V CB 0.197 31.936 31.823 -0.140 0.000 0.725 215 V HN 0.684 nan 8.190 nan 0.000 0.467 216 Q N 1.079 120.634 119.800 -0.409 0.000 2.197 216 Q HA -0.272 4.069 4.340 0.001 0.000 0.207 216 Q C 1.714 177.311 176.000 -0.672 0.000 0.984 216 Q CA 2.540 57.983 55.803 -0.600 0.000 0.869 216 Q CB -0.207 28.483 28.738 -0.079 0.000 0.906 216 Q HN 0.967 nan 8.270 nan 0.000 0.426 217 N N -1.956 116.517 118.700 -0.378 0.000 2.325 217 N HA 0.110 4.851 4.740 0.001 0.000 0.182 217 N C 1.672 177.072 175.510 -0.184 0.000 1.088 217 N CA 0.477 53.413 53.050 -0.191 0.000 0.879 217 N CB 0.013 38.432 38.487 -0.113 0.000 0.983 217 N HN 0.139 nan 8.380 nan 0.000 0.471 218 A N 1.532 124.189 122.820 -0.272 0.000 1.933 218 A HA -0.104 4.217 4.320 0.001 0.000 0.218 218 A C 1.674 179.176 177.584 -0.137 0.000 1.175 218 A CA 1.153 53.139 52.037 -0.084 0.000 0.628 218 A CB -0.826 18.247 19.000 0.122 0.000 0.814 218 A HN 0.572 nan 8.150 nan 0.000 0.444 219 F N -4.344 115.447 119.950 -0.265 0.000 2.714 219 F HA 0.407 4.935 4.527 0.001 0.000 0.294 219 F C 1.487 177.138 175.800 -0.249 0.000 1.120 219 F CA -0.805 56.894 58.000 -0.502 0.000 1.398 219 F CB -0.740 37.401 39.000 -1.431 0.000 1.120 219 F HN 0.056 nan 8.300 nan 0.000 0.589 220 F N 1.754 121.712 119.950 0.013 0.000 2.234 220 F HA -0.039 4.489 4.527 0.001 0.000 0.296 220 F C 2.410 178.252 175.800 0.071 0.000 1.089 220 F CA 1.787 59.859 58.000 0.121 0.000 1.343 220 F CB -0.649 38.362 39.000 0.019 0.000 1.040 220 F HN -0.043 nan 8.300 nan 0.000 0.498 221 T N -1.363 113.316 114.554 0.208 0.000 2.668 221 T HA -0.182 4.169 4.350 0.001 0.000 0.262 221 T C 0.299 175.083 174.700 0.141 0.000 1.045 221 T CA 1.533 63.719 62.100 0.143 0.000 1.152 221 T CB -0.269 68.653 68.868 0.091 0.000 0.864 221 T HN -0.029 nan 8.240 nan 0.000 0.419 222 D N 1.184 121.659 120.400 0.124 0.000 2.420 222 D HA 0.260 4.900 4.640 0.001 0.000 0.255 222 D C -1.990 174.377 176.300 0.111 0.000 1.185 222 D CA -2.347 51.728 54.000 0.126 0.000 0.904 222 D CB 1.673 42.560 40.800 0.144 0.000 1.102 222 D HN 0.031 nan 8.370 nan 0.000 0.534 223 P HA 0.012 nan 4.420 nan 0.000 0.241 223 P C 0.008 177.551 177.300 0.405 0.000 1.191 223 P CA 0.331 63.606 63.100 0.292 0.000 0.771 223 P CB 0.300 32.197 31.700 0.327 0.000 0.929 224 N N 0.417 119.258 118.700 0.234 0.000 2.322 224 N HA 0.021 4.762 4.740 0.001 0.000 0.216 224 N C -0.270 175.319 175.510 0.132 0.000 1.144 224 N CA -0.075 53.101 53.050 0.210 0.000 0.830 224 N CB -0.029 38.553 38.487 0.159 0.000 1.034 224 N HN 0.100 nan 8.380 nan 0.000 0.484 225 D N 0.732 121.183 120.400 0.085 0.000 2.460 225 D HA 0.106 4.747 4.640 0.001 0.000 0.232 225 D C 1.085 177.348 176.300 -0.062 0.000 1.079 225 D CA -0.380 53.650 54.000 0.050 0.000 0.864 225 D CB 0.893 41.747 40.800 0.089 0.000 1.048 225 D HN -0.016 nan 8.370 nan 0.000 0.523 226 Q N 1.456 121.184 119.800 -0.120 0.000 2.096 226 Q HA -0.234 4.107 4.340 0.001 0.000 0.208 226 Q C 1.683 177.723 176.000 0.066 0.000 0.993 226 Q CA 1.824 57.441 55.803 -0.310 0.000 0.862 226 Q CB -0.115 28.600 28.738 -0.038 0.000 0.915 226 Q HN 0.502 nan 8.270 nan 0.000 0.416 227 S N 1.104 116.920 115.700 0.193 0.000 2.435 227 S HA -0.365 4.105 4.470 0.001 0.000 0.250 227 S C 2.078 176.538 174.600 -0.234 0.000 1.065 227 S CA 1.629 59.888 58.200 0.098 0.000 1.243 227 S CB -0.921 62.386 63.200 0.179 0.000 1.158 227 S HN 0.637 nan 8.310 nan 0.000 0.430 228 A N 0.591 123.157 122.820 -0.423 0.000 1.927 228 A HA -0.215 4.106 4.320 0.001 0.000 0.220 228 A C 1.940 179.373 177.584 -0.251 0.000 1.185 228 A CA 2.071 53.729 52.037 -0.632 0.000 0.639 228 A CB -1.349 17.378 19.000 -0.454 0.000 0.820 228 A HN 0.741 nan 8.150 nan 0.000 0.451 229 W N -1.610 119.614 121.300 -0.127 0.000 2.355 229 W HA -0.119 4.541 4.660 0.001 0.000 0.309 229 W C 2.139 178.612 176.519 -0.077 0.000 1.206 229 W CA 0.577 57.798 57.345 -0.206 0.000 1.284 229 W CB -0.566 28.589 29.460 -0.508 0.000 1.145 229 W HN 0.347 nan 8.180 nan 0.000 0.502 230 F N -1.237 118.827 119.950 0.189 0.000 2.051 230 F HA -0.270 4.258 4.527 0.001 0.000 0.296 230 F C 2.363 178.281 175.800 0.196 0.000 1.122 230 F CA 1.883 60.005 58.000 0.204 0.000 1.201 230 F CB -1.449 37.671 39.000 0.200 0.000 0.978 230 F HN -0.169 nan 8.300 nan 0.000 0.472 231 Y N -0.049 120.335 120.300 0.140 0.000 2.151 231 Y HA -0.364 4.187 4.550 0.001 0.000 0.284 231 Y C 2.900 178.914 175.900 0.190 0.000 1.166 231 Y CA 2.228 60.381 58.100 0.088 0.000 1.163 231 Y CB -0.707 37.576 38.460 -0.294 0.000 0.974 231 Y HN 0.150 nan 8.280 nan 0.000 0.511 232 H N 0.490 119.682 119.070 0.203 0.000 2.387 232 H HA -0.189 4.368 4.556 0.001 0.000 0.299 232 H C 2.391 177.807 175.328 0.147 0.000 1.090 232 H CA 1.960 58.122 56.048 0.190 0.000 1.332 232 H CB -0.095 29.835 29.762 0.280 0.000 1.386 232 H HN 0.388 nan 8.280 nan 0.000 0.516 233 R N -0.079 120.639 120.500 0.363 0.000 2.070 233 R HA -0.182 4.159 4.340 0.001 0.000 0.233 233 R C 2.325 178.736 176.300 0.184 0.000 1.137 233 R CA 2.031 58.301 56.100 0.283 0.000 0.945 233 R CB -1.351 29.111 30.300 0.270 0.000 0.845 233 R HN 0.383 nan 8.270 nan 0.000 0.430 234 W N 0.777 122.083 121.300 0.010 0.000 2.359 234 W HA -0.106 4.555 4.660 0.001 0.000 0.275 234 W C 0.908 177.345 176.519 -0.137 0.000 1.217 234 W CA 1.243 58.551 57.345 -0.062 0.000 1.196 234 W CB -0.028 29.356 29.460 -0.126 0.000 1.129 234 W HN 0.195 nan 8.180 nan 0.000 0.566 235 L N 0.354 121.361 121.223 -0.359 0.000 2.492 235 L HA -0.099 4.242 4.340 0.001 0.000 0.223 235 L C 1.624 178.263 176.870 -0.384 0.000 1.132 235 L CA 0.042 54.555 54.840 -0.546 0.000 0.850 235 L CB -0.405 41.408 42.059 -0.410 0.000 0.966 235 L HN -0.028 nan 8.230 nan 0.000 0.454 236 L N -0.767 120.311 121.223 -0.241 0.000 2.592 236 L HA 0.264 4.605 4.340 0.001 0.000 0.227 236 L C 1.193 177.997 176.870 -0.110 0.000 1.127 236 L CA 0.405 55.159 54.840 -0.142 0.000 0.884 236 L CB -1.132 40.898 42.059 -0.048 0.000 1.065 236 L HN 0.085 nan 8.230 nan 0.000 0.457 237 G N 0.321 109.029 108.800 -0.153 0.000 2.705 237 G HA2 0.650 4.611 3.960 0.001 0.000 0.299 237 G HA3 0.650 4.611 3.960 0.001 0.000 0.299 237 G C -0.018 174.798 174.900 -0.140 0.000 1.315 237 G CA -0.432 44.617 45.100 -0.086 0.000 1.045 237 G HN 0.184 nan 8.290 nan 0.000 0.517 238 R N -2.112 118.353 120.500 -0.059 0.000 3.041 238 R HA 0.818 5.159 4.340 0.001 0.000 0.254 238 R C -0.821 175.488 176.300 0.015 0.000 1.244 238 R CA -0.714 55.355 56.100 -0.051 0.000 1.023 238 R CB 0.840 31.117 30.300 -0.039 0.000 1.332 238 R HN 0.837 nan 8.270 nan 0.000 0.463 239 A N 0.375 123.212 122.820 0.029 0.000 2.346 239 A HA 0.585 4.906 4.320 0.001 0.000 0.313 239 A C -1.167 176.446 177.584 0.049 0.000 1.140 239 A CA -0.529 51.543 52.037 0.059 0.000 0.826 239 A CB 1.647 20.690 19.000 0.072 0.000 1.332 239 A HN 0.674 nan 8.150 nan 0.000 0.457 240 E N 0.618 120.853 120.200 0.059 0.000 2.191 240 E HA 0.639 4.989 4.350 0.001 0.000 0.274 240 E C -2.214 174.419 176.600 0.056 0.000 0.948 240 E CA -1.356 55.076 56.400 0.053 0.000 0.802 240 E CB 0.534 30.271 29.700 0.062 0.000 1.137 240 E HN 0.517 nan 8.360 nan 0.000 0.397 245 L N 4.481 125.789 121.223 0.141 0.000 2.342 245 L HA 0.348 4.689 4.340 0.001 0.000 0.285 245 L C 1.089 177.942 176.870 -0.028 0.000 1.095 245 L CA 0.588 55.413 54.840 -0.024 0.000 0.843 245 L CB 0.599 42.658 42.059 -0.000 0.000 1.201 245 L HN 1.020 nan 8.230 nan 0.000 0.445 246 C N 3.167 122.433 119.300 -0.058 0.000 2.791 246 C HA 0.505 4.965 4.460 0.001 0.000 0.270 246 C C 0.591 175.569 174.990 -0.019 0.000 1.257 246 C CA -0.564 58.444 59.018 -0.017 0.000 1.699 246 C CB -1.201 26.544 27.740 0.008 0.000 1.904 246 C HN 0.841 nan 8.230 nan 0.000 0.603 247 C N -0.188 119.081 119.300 -0.052 0.000 3.292 247 C HA 0.604 5.064 4.460 0.001 0.000 0.368 247 C C -1.557 173.429 174.990 -0.007 0.000 1.141 247 C CA -0.209 58.808 59.018 -0.002 0.000 1.194 247 C CB 0.939 28.675 27.740 -0.006 0.000 1.533 247 C HN 0.338 nan 8.230 nan 0.000 0.532 248 V N 6.043 126.008 119.914 0.085 0.000 2.577 248 V HA 0.488 4.609 4.120 0.001 0.000 0.294 248 V C -0.642 175.569 176.094 0.195 0.000 1.052 248 V CA -0.312 62.049 62.300 0.102 0.000 0.891 248 V CB 1.325 33.200 31.823 0.088 0.000 1.017 248 V HN 0.914 nan 8.190 nan 0.000 0.436 249 H N 4.359 123.476 119.070 0.079 0.000 2.569 249 H HA 0.812 5.369 4.556 0.001 0.000 0.357 249 H C -1.911 173.421 175.328 0.007 0.000 1.153 249 H CA -0.582 55.528 56.048 0.104 0.000 1.193 249 H CB 2.451 32.258 29.762 0.075 0.000 1.602 249 H HN 0.400 nan 8.280 nan 0.000 0.523 250 V N 3.705 123.135 119.914 -0.807 0.000 2.524 250 V HA 0.134 4.255 4.120 0.001 0.000 0.297 250 V C -0.141 175.539 176.094 -0.691 0.000 1.035 250 V CA -0.623 61.271 62.300 -0.677 0.000 0.867 250 V CB 1.597 32.942 31.823 -0.796 0.000 1.004 250 V HN 0.791 nan 8.190 nan 0.000 0.426 251 S N 4.453 119.922 115.700 -0.385 0.000 2.462 251 S HA 0.438 4.908 4.470 0.001 0.000 0.294 251 S C 0.914 175.464 174.600 -0.083 0.000 1.144 251 S CA -0.495 57.634 58.200 -0.118 0.000 1.088 251 S CB 1.329 64.584 63.200 0.092 0.000 1.009 251 S HN 0.778 nan 8.310 nan 0.000 0.484 252 R N 2.987 123.464 120.500 -0.038 0.000 2.057 252 R HA -0.007 4.334 4.340 0.001 0.000 0.229 252 R C 1.962 178.264 176.300 0.004 0.000 1.136 252 R CA 1.596 57.688 56.100 -0.012 0.000 0.952 252 R CB -0.429 29.881 30.300 0.017 0.000 0.848 252 R HN 0.886 nan 8.270 nan 0.000 0.430 253 E N 0.068 120.278 120.200 0.017 0.000 2.118 253 E HA -0.193 4.158 4.350 0.001 0.000 0.195 253 E C 1.255 177.863 176.600 0.014 0.000 0.992 253 E CA 1.299 57.711 56.400 0.019 0.000 0.804 253 E CB 0.209 29.924 29.700 0.025 0.000 0.741 253 E HN 0.319 nan 8.360 nan 0.000 0.458 254 E N -0.516 119.694 120.200 0.016 0.000 2.435 254 E HA 0.021 4.372 4.350 0.001 0.000 0.195 254 E C 0.663 177.263 176.600 0.001 0.000 1.029 254 E CA 0.678 57.086 56.400 0.014 0.000 0.865 254 E CB 0.299 30.017 29.700 0.030 0.000 0.833 254 E HN 0.327 nan 8.360 nan 0.000 0.510 255 A N 0.660 123.474 122.820 -0.009 0.000 2.560 255 A HA -0.237 4.084 4.320 0.001 0.000 0.299 255 A C 0.282 177.852 177.584 -0.023 0.000 1.484 255 A CA 0.958 52.985 52.037 -0.017 0.000 0.749 255 A CB -2.497 16.497 19.000 -0.009 0.000 1.072 255 A HN 0.352 nan 8.150 nan 0.000 0.426 256 C N 0.070 119.350 119.300 -0.032 0.000 2.797 256 C HA 0.798 5.258 4.460 0.001 0.000 0.306 256 C C -0.213 174.752 174.990 -0.042 0.000 1.207 256 C CA -0.471 58.537 59.018 -0.016 0.000 1.507 256 C CB 1.544 29.298 27.740 0.024 0.000 2.028 256 C HN 1.146 nan 8.230 nan 0.000 0.475 257 L N 4.555 125.780 121.223 0.003 0.000 2.325 257 L HA 0.645 4.985 4.340 0.001 0.000 0.281 257 L C -0.284 176.701 176.870 0.192 0.000 1.004 257 L CA 0.316 55.174 54.840 0.030 0.000 0.823 257 L CB 1.671 43.771 42.059 0.067 0.000 1.236 257 L HN 0.785 nan 8.230 nan 0.000 0.415 258 S N 3.269 119.083 115.700 0.189 0.000 2.501 258 S HA 0.733 5.204 4.470 0.001 0.000 0.301 258 S C -0.795 173.899 174.600 0.157 0.000 1.096 258 S CA -0.534 57.794 58.200 0.212 0.000 1.063 258 S CB 2.042 65.357 63.200 0.191 0.000 1.042 258 S HN 0.392 nan 8.310 nan 0.000 0.494 259 V N 1.835 121.809 119.914 0.101 0.000 2.709 259 V HA 0.515 4.636 4.120 0.001 0.000 0.308 259 V C -0.629 175.356 176.094 -0.180 0.000 1.062 259 V CA -0.757 61.482 62.300 -0.102 0.000 0.901 259 V CB 1.708 33.362 31.823 -0.281 0.000 1.003 259 V HN 1.016 nan 8.190 nan 0.000 0.425 260 C N 5.747 124.892 119.300 -0.259 0.000 2.408 260 C HA 0.778 5.239 4.460 0.001 0.000 0.321 260 C C -0.560 174.246 174.990 -0.306 0.000 1.245 260 C CA -0.657 58.261 59.018 -0.168 0.000 1.523 260 C CB -0.112 27.607 27.740 -0.035 0.000 2.178 260 C HN 0.724 nan 8.230 nan 0.000 0.488 261 F N 3.706 123.653 119.950 -0.004 0.000 2.432 261 F HA 0.334 4.862 4.527 0.001 0.000 0.329 261 F C 1.715 177.504 175.800 -0.019 0.000 1.076 261 F CA -0.180 57.756 58.000 -0.107 0.000 1.018 261 F CB 1.610 40.447 39.000 -0.272 0.000 1.201 261 F HN 0.651 nan 8.300 nan 0.000 0.489 262 S N 0.458 116.267 115.700 0.182 0.000 2.374 262 S HA -0.176 4.295 4.470 0.001 0.000 0.227 262 S C 0.681 175.357 174.600 0.127 0.000 1.037 262 S CA 1.306 59.591 58.200 0.141 0.000 1.024 262 S CB -0.279 62.978 63.200 0.095 0.000 0.861 262 S HN 0.623 nan 8.310 nan 0.000 0.456 263 R N 0.532 121.020 120.500 -0.020 0.000 2.888 263 R HA 0.474 4.815 4.340 0.001 0.000 0.264 263 R C -3.680 172.374 176.300 -0.410 0.000 1.045 263 R CA -2.280 53.710 56.100 -0.183 0.000 0.962 263 R CB 0.548 30.812 30.300 -0.060 0.000 1.210 263 R HN -0.158 nan 8.270 nan 0.000 0.479 264 P HA 0.119 nan 4.420 nan 0.000 0.269 264 P C -1.173 176.020 177.300 -0.178 0.000 1.252 264 P CA -0.142 62.768 63.100 -0.316 0.000 0.780 264 P CB 0.498 32.094 31.700 -0.173 0.000 0.829 265 L N 1.115 122.216 121.223 -0.205 0.000 2.257 265 L HA 0.810 5.151 4.340 0.001 0.000 0.257 265 L C -0.205 176.582 176.870 -0.138 0.000 1.033 265 L CA -0.599 54.083 54.840 -0.264 0.000 0.835 265 L CB 0.315 42.034 42.059 -0.567 0.000 1.398 265 L HN -0.087 nan 8.230 nan 0.000 0.429 266 T N 0.718 115.176 114.554 -0.160 0.000 2.821 266 T HA 0.571 4.922 4.350 0.001 0.000 0.307 266 T C -0.156 174.313 174.700 -0.385 0.000 1.034 266 T CA -0.408 61.636 62.100 -0.093 0.000 0.953 266 T CB 0.919 69.817 68.868 0.051 0.000 0.968 266 T HN 0.467 nan 8.240 nan 0.000 0.462 267 V N 2.522 121.817 119.914 -1.031 0.000 2.740 267 V HA 0.452 4.573 4.120 0.001 0.000 0.303 267 V C 1.309 177.187 176.094 -0.360 0.000 1.054 267 V CA 0.305 62.105 62.300 -0.833 0.000 1.106 267 V CB 0.491 31.466 31.823 -1.413 0.000 0.957 267 V HN 1.208 nan 8.190 nan 0.000 0.486 268 G N 3.490 112.226 108.800 -0.107 0.000 2.417 268 G HA2 0.079 4.040 3.960 0.001 0.000 0.291 268 G HA3 0.079 4.040 3.960 0.001 0.000 0.291 268 G C -0.068 174.829 174.900 -0.005 0.000 1.094 268 G CA 0.497 45.589 45.100 -0.014 0.000 1.146 268 G HN 1.991 nan 8.290 nan 0.000 0.519 269 S N -1.817 113.875 115.700 -0.013 0.000 2.707 269 S HA 0.571 5.042 4.470 0.001 0.000 0.270 269 S C 1.030 175.617 174.600 -0.022 0.000 1.031 269 S CA 0.076 58.273 58.200 -0.006 0.000 0.866 269 S CB 0.528 63.733 63.200 0.008 0.000 1.114 269 S HN 0.867 nan 8.310 nan 0.000 0.465 270 R N 0.574 121.061 120.500 -0.020 0.000 2.313 270 R HA -0.320 4.021 4.340 0.001 0.000 0.218 270 R C 2.197 178.461 176.300 -0.061 0.000 1.104 270 R CA 2.833 58.912 56.100 -0.034 0.000 0.793 270 R CB -1.435 28.855 30.300 -0.016 0.000 0.964 270 R HN 0.758 nan 8.270 nan 0.000 0.377 271 M N 0.057 119.648 119.600 -0.015 0.000 2.164 271 M HA -0.233 4.248 4.480 0.001 0.000 0.251 271 M C 1.282 177.451 176.300 -0.218 0.000 1.087 271 M CA 1.938 57.249 55.300 0.019 0.000 1.071 271 M CB -0.592 32.125 32.600 0.194 0.000 1.347 271 M HN 0.661 nan 8.290 nan 0.000 0.399 272 G N -1.685 106.948 108.800 -0.279 0.000 2.315 272 G HA2 0.161 4.122 3.960 0.001 0.000 0.296 272 G HA3 0.161 4.122 3.960 0.001 0.000 0.296 272 G C -1.094 173.557 174.900 -0.414 0.000 1.289 272 G CA -0.375 44.342 45.100 -0.639 0.000 0.996 272 G HN 0.237 nan 8.290 nan 0.000 0.487 273 T N -1.342 112.959 114.554 -0.421 0.000 2.754 273 T HA 0.688 5.038 4.350 0.001 0.000 0.296 273 T C -1.224 173.543 174.700 0.112 0.000 1.205 273 T CA -0.501 61.612 62.100 0.021 0.000 1.009 273 T CB 1.364 70.236 68.868 0.007 0.000 1.368 273 T HN 0.790 nan 8.240 nan 0.000 0.509 274 L N 2.427 123.692 121.223 0.069 0.000 2.309 274 L HA 0.623 4.964 4.340 0.001 0.000 0.282 274 L C -1.102 175.923 176.870 0.258 0.000 1.036 274 L CA -0.923 53.944 54.840 0.045 0.000 0.806 274 L CB 1.410 43.114 42.059 -0.592 0.000 1.220 274 L HN 0.424 nan 8.230 nan 0.000 0.429 275 L N 3.893 125.261 121.223 0.242 0.000 2.334 275 L HA 0.555 4.895 4.340 0.001 0.000 0.276 275 L C -0.583 176.470 176.870 0.304 0.000 1.014 275 L CA -0.312 54.684 54.840 0.259 0.000 0.815 275 L CB 1.745 43.889 42.059 0.142 0.000 1.268 275 L HN 0.317 nan 8.230 nan 0.000 0.428 276 L N 3.277 124.681 121.223 0.300 0.000 2.346 276 L HA 0.758 5.099 4.340 0.001 0.000 0.276 276 L C -0.969 175.994 176.870 0.155 0.000 1.006 276 L CA -0.479 54.527 54.840 0.277 0.000 0.817 276 L CB 1.621 43.860 42.059 0.300 0.000 1.272 276 L HN 0.607 nan 8.230 nan 0.000 0.421 277 M N 5.163 124.839 119.600 0.126 0.000 2.022 277 M HA 0.491 4.971 4.480 0.001 0.000 0.298 277 M C -1.472 174.824 176.300 -0.007 0.000 0.909 277 M CA -0.196 55.136 55.300 0.055 0.000 0.914 277 M CB 1.437 34.069 32.600 0.053 0.000 1.486 277 M HN 0.290 nan 8.290 nan 0.000 0.415 278 V N 4.530 124.400 119.914 -0.072 0.000 2.394 278 V HA 0.337 4.457 4.120 0.001 0.000 0.282 278 V C -0.034 175.956 176.094 -0.174 0.000 1.031 278 V CA -0.515 61.641 62.300 -0.239 0.000 0.881 278 V CB 1.414 33.062 31.823 -0.290 0.000 0.982 278 V HN 0.875 nan 8.190 nan 0.000 0.451 279 D N 3.719 124.005 120.400 -0.191 0.000 2.708 279 D HA -0.154 4.487 4.640 0.001 0.000 0.236 279 D C 0.556 176.823 176.300 -0.054 0.000 1.146 279 D CA 1.100 55.044 54.000 -0.094 0.000 0.662 279 D CB -0.583 40.190 40.800 -0.046 0.000 1.059 279 D HN 0.894 nan 8.370 nan 0.000 0.428 280 E N -3.517 116.657 120.200 -0.044 0.000 2.320 280 E HA -0.147 4.204 4.350 0.001 0.000 0.234 280 E C -0.044 176.547 176.600 -0.016 0.000 1.183 280 E CA 1.347 57.735 56.400 -0.020 0.000 0.713 280 E CB -1.865 27.826 29.700 -0.016 0.000 1.226 280 E HN 0.747 nan 8.360 nan 0.000 0.382 281 A N -0.096 122.713 122.820 -0.018 0.000 2.555 281 A HA 0.628 4.949 4.320 0.001 0.000 0.297 281 A C -2.724 174.857 177.584 -0.004 0.000 1.060 281 A CA -1.183 50.848 52.037 -0.011 0.000 0.710 281 A CB 1.772 20.762 19.000 -0.018 0.000 1.282 281 A HN -0.052 nan 8.150 nan 0.000 0.399 282 P HA 0.442 nan 4.420 nan 0.000 0.272 282 P C -0.881 176.428 177.300 0.013 0.000 1.230 282 P CA -0.056 63.059 63.100 0.024 0.000 0.788 282 P CB 1.121 32.838 31.700 0.029 0.000 0.949 283 L N 1.199 122.438 121.223 0.026 0.000 2.541 283 L HA 0.241 4.582 4.340 0.001 0.000 0.266 283 L C -0.612 176.266 176.870 0.014 0.000 0.966 283 L CA -0.121 54.723 54.840 0.007 0.000 0.871 283 L CB 1.431 43.486 42.059 -0.007 0.000 1.232 283 L HN 0.275 nan 8.230 nan 0.000 0.408 284 S N 3.895 119.598 115.700 0.005 0.000 2.531 284 S HA 0.653 5.124 4.470 0.001 0.000 0.279 284 S C -0.068 174.498 174.600 -0.057 0.000 1.305 284 S CA -0.324 57.877 58.200 0.002 0.000 1.058 284 S CB 0.957 64.162 63.200 0.008 0.000 0.899 284 S HN 0.734 nan 8.310 nan 0.000 0.493 285 V N -0.746 119.096 119.914 -0.120 0.000 3.078 285 V HA 0.686 4.807 4.120 0.001 0.000 0.311 285 V C -0.894 175.015 176.094 -0.309 0.000 1.138 285 V CA -1.143 60.991 62.300 -0.276 0.000 1.007 285 V CB 1.952 33.459 31.823 -0.526 0.000 1.045 285 V HN 0.672 nan 8.190 nan 0.000 0.432 286 E N 1.090 121.125 120.200 -0.275 0.000 2.242 286 E HA 0.442 4.793 4.350 0.001 0.000 0.275 286 E C -1.641 174.843 176.600 -0.192 0.000 1.002 286 E CA -0.009 56.319 56.400 -0.120 0.000 0.841 286 E CB 1.995 31.685 29.700 -0.016 0.000 1.109 286 E HN 0.812 nan 8.360 nan 0.000 0.394 287 W N 2.334 123.743 121.300 0.183 0.000 2.587 287 W HA 0.382 5.043 4.660 0.001 0.000 0.324 287 W C 0.612 177.398 176.519 0.445 0.000 1.040 287 W CA -0.699 56.824 57.345 0.297 0.000 1.222 287 W CB 1.328 30.950 29.460 0.271 0.000 1.381 287 W HN 0.389 nan 8.180 nan 0.000 0.483 288 R N 0.044 120.950 120.500 0.677 0.000 2.855 288 R HA 0.850 5.191 4.340 0.001 0.000 0.266 288 R C -0.407 175.911 176.300 0.031 0.000 1.034 288 R CA -0.987 55.338 56.100 0.373 0.000 0.944 288 R CB 1.242 31.645 30.300 0.172 0.000 1.219 288 R HN 0.316 nan 8.270 nan 0.000 0.474 289 T N -2.558 111.781 114.554 -0.357 0.000 2.943 289 T HA 0.353 4.704 4.350 0.001 0.000 0.284 289 T C -1.953 172.610 174.700 -0.227 0.000 1.015 289 T CA -2.157 59.610 62.100 -0.556 0.000 1.042 289 T CB 1.737 70.169 68.868 -0.727 0.000 1.055 289 T HN 0.313 nan 8.240 nan 0.000 0.500 290 P HA -0.129 nan 4.420 nan 0.000 0.217 290 P C 0.834 178.086 177.300 -0.080 0.000 1.151 290 P CA 1.311 64.351 63.100 -0.100 0.000 0.849 290 P CB -0.043 31.601 31.700 -0.094 0.000 0.787 291 D N -2.523 117.820 120.400 -0.096 0.000 2.358 291 D HA 0.125 4.766 4.640 0.001 0.000 0.224 291 D C 1.397 177.666 176.300 -0.052 0.000 1.123 291 D CA 0.258 54.218 54.000 -0.066 0.000 0.833 291 D CB -1.117 39.645 40.800 -0.063 0.000 0.946 291 D HN 0.173 nan 8.370 nan 0.000 0.505 292 G N 1.721 110.487 108.800 -0.058 0.000 2.216 292 G HA2 -0.447 3.514 3.960 0.001 0.000 0.269 292 G HA3 -0.447 3.514 3.960 0.001 0.000 0.269 292 G C 1.248 176.143 174.900 -0.010 0.000 0.981 292 G CA 0.721 45.808 45.100 -0.023 0.000 0.658 292 G HN 0.490 nan 8.290 nan 0.000 0.539 293 R N 0.331 120.812 120.500 -0.032 0.000 2.276 293 R HA 0.072 4.413 4.340 0.001 0.000 0.203 293 R C 1.059 177.369 176.300 0.017 0.000 1.017 293 R CA 0.517 56.614 56.100 -0.004 0.000 1.010 293 R CB -0.511 29.781 30.300 -0.013 0.000 0.900 293 R HN 0.657 nan 8.270 nan 0.000 0.469 294 N N 1.426 120.106 118.700 -0.032 0.000 2.714 294 N HA -0.202 4.539 4.740 0.001 0.000 0.252 294 N C -0.589 175.018 175.510 0.161 0.000 1.014 294 N CA 0.254 53.325 53.050 0.034 0.000 0.735 294 N CB -0.549 38.105 38.487 0.278 0.000 0.924 294 N HN 0.315 nan 8.380 nan 0.000 0.540 295 R N 0.158 120.682 120.500 0.040 0.000 2.606 295 R HA 0.435 4.776 4.340 0.001 0.000 0.249 295 R C -2.313 174.081 176.300 0.157 0.000 1.127 295 R CA -1.652 54.506 56.100 0.098 0.000 1.133 295 R CB 0.266 30.587 30.300 0.036 0.000 1.243 295 R HN -0.080 nan 8.270 nan 0.000 0.558 296 P HA -0.032 nan 4.420 nan 0.000 0.265 296 P C -0.957 176.405 177.300 0.104 0.000 1.193 296 P CA 0.502 63.698 63.100 0.159 0.000 0.765 296 P CB 0.834 32.574 31.700 0.066 0.000 0.823 297 S N 1.763 117.562 115.700 0.164 0.000 2.588 297 S HA 0.338 4.808 4.470 0.001 0.000 0.269 297 S C 0.223 174.906 174.600 0.139 0.000 1.157 297 S CA -0.482 57.751 58.200 0.055 0.000 0.824 297 S CB 0.568 63.649 63.200 -0.199 0.000 1.126 297 S HN 0.389 nan 8.310 nan 0.000 0.464 298 H N 0.377 119.506 119.070 0.099 0.000 2.470 298 H HA 0.345 4.902 4.556 0.001 0.000 0.289 298 H C 0.386 175.817 175.328 0.172 0.000 1.033 298 H CA 1.452 57.599 56.048 0.164 0.000 1.331 298 H CB 0.175 29.985 29.762 0.080 0.000 1.414 298 H HN 0.351 nan 8.280 nan 0.000 0.545 299 V N 0.148 120.146 119.914 0.140 0.000 2.513 299 V HA 0.273 4.393 4.120 0.001 0.000 0.299 299 V C -0.936 175.057 176.094 -0.168 0.000 1.035 299 V CA -0.805 61.520 62.300 0.041 0.000 0.889 299 V CB 1.564 33.378 31.823 -0.014 0.000 0.988 299 V HN 0.272 nan 8.190 nan 0.000 0.440 300 W N 4.522 125.867 121.300 0.076 0.000 3.033 300 W HA 0.844 5.505 4.660 0.001 0.000 0.336 300 W C -0.795 175.893 176.519 0.281 0.000 1.173 300 W CA -0.611 56.829 57.345 0.159 0.000 1.185 300 W CB 1.992 31.512 29.460 0.100 0.000 1.425 300 W HN 0.621 nan 8.180 nan 0.000 0.536 301 L N 1.010 122.635 121.223 0.669 0.000 2.600 301 L HA 0.970 5.311 4.340 0.001 0.000 0.257 301 L C -0.653 176.468 176.870 0.417 0.000 1.048 301 L CA -0.833 54.355 54.840 0.579 0.000 0.869 301 L CB 1.715 43.928 42.059 0.258 0.000 1.482 301 L HN 0.599 nan 8.230 nan 0.000 0.408 302 C N -2.191 117.130 119.300 0.036 0.000 3.173 302 C HA 0.716 5.177 4.460 0.001 0.000 0.310 302 C C -1.028 173.866 174.990 -0.161 0.000 1.306 302 C CA -0.578 58.255 59.018 -0.308 0.000 1.426 302 C CB 1.674 28.769 27.740 -1.074 0.000 1.800 302 C HN 0.874 nan 8.230 nan 0.000 0.470 303 D N 1.069 121.381 120.400 -0.147 0.000 2.329 303 D HA 0.564 5.205 4.640 0.001 0.000 0.246 303 D C -0.510 175.740 176.300 -0.084 0.000 1.111 303 D CA 0.159 54.110 54.000 -0.082 0.000 0.941 303 D CB 1.315 42.079 40.800 -0.061 0.000 1.169 303 D HN 0.592 nan 8.370 nan 0.000 0.441 304 L N 2.306 123.504 121.223 -0.041 0.000 2.362 304 L HA 0.352 4.693 4.340 0.001 0.000 0.275 304 L C -2.035 174.825 176.870 -0.016 0.000 0.998 304 L CA -1.751 53.082 54.840 -0.012 0.000 0.820 304 L CB 2.075 44.157 42.059 0.037 0.000 1.270 304 L HN 0.139 nan 8.230 nan 0.000 0.415 305 P HA 0.098 nan 4.420 nan 0.000 0.273 305 P C 0.344 177.623 177.300 -0.034 0.000 1.250 305 P CA -0.352 62.730 63.100 -0.030 0.000 0.793 305 P CB 1.216 32.895 31.700 -0.036 0.000 1.011 306 A N 1.534 124.337 122.820 -0.029 0.000 1.940 306 A HA -0.139 4.182 4.320 0.001 0.000 0.219 306 A C 2.310 179.864 177.584 -0.051 0.000 1.176 306 A CA 2.286 54.307 52.037 -0.027 0.000 0.631 306 A CB -1.658 17.335 19.000 -0.012 0.000 0.814 306 A HN 0.625 nan 8.150 nan 0.000 0.446 307 A N 0.388 123.173 122.820 -0.058 0.000 1.940 307 A HA -0.119 4.201 4.320 0.001 0.000 0.219 307 A C 2.332 179.783 177.584 -0.221 0.000 1.176 307 A CA 2.248 54.240 52.037 -0.075 0.000 0.631 307 A CB -0.949 18.021 19.000 -0.050 0.000 0.814 307 A HN 1.092 nan 8.150 nan 0.000 0.446 308 S N -1.450 114.088 115.700 -0.270 0.000 2.607 308 S HA 0.302 4.773 4.470 0.001 0.000 0.224 308 S C 0.859 175.071 174.600 -0.647 0.000 0.969 308 S CA 0.871 58.773 58.200 -0.495 0.000 0.927 308 S CB -0.206 62.888 63.200 -0.178 0.000 0.772 308 S HN 0.421 nan 8.310 nan 0.000 0.533 309 L N 0.791 121.766 121.223 -0.413 0.000 3.515 309 L HA 0.290 4.630 4.340 0.001 0.000 0.322 309 L C 0.407 177.312 176.870 0.057 0.000 1.225 309 L CA -0.405 54.366 54.840 -0.115 0.000 1.104 309 L CB 0.015 42.078 42.059 0.007 0.000 1.506 309 L HN 0.255 nan 8.230 nan 0.000 0.624 310 N N -0.882 117.865 118.700 0.079 0.000 2.374 310 N HA 0.031 4.772 4.740 0.001 0.000 0.284 310 N C 0.001 175.654 175.510 0.238 0.000 1.280 310 N CA -0.055 53.081 53.050 0.143 0.000 0.963 310 N CB 0.414 38.954 38.487 0.087 0.000 1.141 310 N HN -0.148 nan 8.380 nan 0.000 0.565 311 D N -1.532 118.942 120.400 0.124 0.000 2.340 311 D HA -0.031 4.610 4.640 0.001 0.000 0.217 311 D C 1.260 177.580 176.300 0.032 0.000 1.081 311 D CA 0.141 54.183 54.000 0.071 0.000 0.842 311 D CB -0.190 40.634 40.800 0.040 0.000 0.934 311 D HN 0.687 nan 8.370 nan 0.000 0.511 312 Q N -0.098 119.736 119.800 0.056 0.000 2.439 312 Q HA -0.062 4.279 4.340 0.001 0.000 0.211 312 Q C 0.184 176.165 176.000 -0.033 0.000 0.978 312 Q CA 0.824 56.639 55.803 0.020 0.000 0.897 312 Q CB 0.197 28.960 28.738 0.042 0.000 0.956 312 Q HN 0.258 nan 8.270 nan 0.000 0.483 313 L N 0.698 121.857 121.223 -0.107 0.000 2.371 313 L HA 0.343 4.684 4.340 0.001 0.000 0.262 313 L C -1.901 174.846 176.870 -0.204 0.000 1.006 313 L CA -2.435 52.293 54.840 -0.187 0.000 0.818 313 L CB 2.272 44.149 42.059 -0.304 0.000 1.354 313 L HN -0.217 nan 8.230 nan 0.000 0.415 314 P HA -0.111 nan 4.420 nan 0.000 0.228 314 P C -0.634 176.589 177.300 -0.129 0.000 1.151 314 P CA 1.014 64.050 63.100 -0.106 0.000 0.770 314 P CB 0.398 32.054 31.700 -0.073 0.000 0.786 315 Q N -2.578 117.087 119.800 -0.225 0.000 2.756 315 Q HA 0.465 4.806 4.340 0.001 0.000 0.295 315 Q C -0.965 174.802 176.000 -0.388 0.000 0.903 315 Q CA -0.765 54.917 55.803 -0.201 0.000 0.768 315 Q CB 0.687 29.374 28.738 -0.084 0.000 1.472 315 Q HN -0.013 nan 8.270 nan 0.000 0.416 316 H N -0.240 118.840 119.070 0.017 0.000 2.637 316 H HA 0.675 5.232 4.556 0.001 0.000 0.363 316 H C -0.905 174.371 175.328 -0.087 0.000 1.131 316 H CA -0.699 55.303 56.048 -0.077 0.000 1.183 316 H CB 2.481 32.204 29.762 -0.065 0.000 1.637 316 H HN 0.696 nan 8.280 nan 0.000 0.531 317 T N 4.111 118.591 114.554 -0.123 0.000 2.770 317 T HA 0.382 4.733 4.350 0.001 0.000 0.283 317 T C -0.345 174.210 174.700 -0.242 0.000 0.988 317 T CA -0.517 61.542 62.100 -0.067 0.000 0.957 317 T CB 0.046 68.894 68.868 -0.034 0.000 0.930 317 T HN 0.173 nan 8.240 nan 0.000 0.443 318 F N 2.200 122.183 119.950 0.055 0.000 2.443 318 F HA 0.662 5.189 4.527 0.001 0.000 0.335 318 F C 0.681 176.520 175.800 0.065 0.000 1.104 318 F CA -1.175 56.863 58.000 0.062 0.000 1.013 318 F CB 1.508 40.544 39.000 0.060 0.000 1.136 318 F HN 0.282 nan 8.300 nan 0.000 0.470 319 R N 2.481 123.112 120.500 0.218 0.000 2.518 319 R HA 0.650 4.990 4.340 0.001 0.000 0.296 319 R C -2.146 174.263 176.300 0.181 0.000 1.080 319 R CA -0.394 55.803 56.100 0.163 0.000 0.922 319 R CB 1.375 31.735 30.300 0.100 0.000 1.184 319 R HN 0.576 nan 8.270 nan 0.000 0.445 320 V N 6.299 126.320 119.914 0.179 0.000 2.539 320 V HA 0.499 4.620 4.120 0.001 0.000 0.292 320 V C 0.124 176.305 176.094 0.145 0.000 1.045 320 V CA -0.497 61.912 62.300 0.182 0.000 0.945 320 V CB 1.739 33.651 31.823 0.147 0.000 0.993 320 V HN 0.668 nan 8.190 nan 0.000 0.464 321 I N 4.203 124.868 120.570 0.158 0.000 2.468 321 I HA 0.254 4.425 4.170 0.001 0.000 0.284 321 I C -0.674 175.562 176.117 0.199 0.000 1.038 321 I CA -0.238 61.151 61.300 0.148 0.000 1.083 321 I CB 1.430 39.489 38.000 0.098 0.000 1.223 321 I HN 0.741 nan 8.210 nan 0.000 0.443 322 W N 8.236 129.555 121.300 0.032 0.000 2.335 322 W HA 0.328 4.989 4.660 0.001 0.000 0.306 322 W C 0.059 176.581 176.519 0.005 0.000 1.216 322 W CA -0.458 56.909 57.345 0.037 0.000 1.237 322 W CB 1.433 31.000 29.460 0.180 0.000 1.243 322 W HN 0.617 nan 8.180 nan 0.000 0.493 323 T N 1.593 115.790 114.554 -0.594 0.000 2.788 323 T HA 0.452 4.803 4.350 0.001 0.000 0.280 323 T C 1.197 175.208 174.700 -1.148 0.000 0.984 323 T CA 0.595 62.317 62.100 -0.630 0.000 0.972 323 T CB 1.272 69.872 68.868 -0.447 0.000 1.039 323 T HN 1.196 nan 8.240 nan 0.000 0.530 324 G N -0.508 107.887 108.800 -0.676 0.000 2.179 324 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 324 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 324 G C 0.606 175.306 174.900 -0.333 0.000 0.977 324 G CA 0.941 45.693 45.100 -0.580 0.000 0.641 324 G HN 1.761 nan 8.290 nan 0.000 0.533 325 S N -1.348 114.183 115.700 -0.282 0.000 2.099 325 S HA 0.217 4.688 4.470 0.001 0.000 0.253 325 S C 0.608 175.219 174.600 0.019 0.000 0.937 325 S CA 1.256 59.457 58.200 0.001 0.000 1.507 325 S CB -0.292 63.075 63.200 0.280 0.000 1.110 325 S HN 1.109 nan 8.310 nan 0.000 0.532 326 D N 1.398 121.760 120.400 -0.063 0.000 3.039 326 D HA -0.143 4.497 4.640 0.001 0.000 0.222 326 D C -0.170 176.187 176.300 0.095 0.000 1.179 326 D CA 1.161 55.157 54.000 -0.006 0.000 0.880 326 D CB -1.351 39.437 40.800 -0.020 0.000 1.115 326 D HN 0.473 nan 8.370 nan 0.000 0.416 327 S N -0.327 115.490 115.700 0.196 0.000 2.558 327 S HA 0.096 4.567 4.470 0.001 0.000 0.293 327 S C -0.095 174.607 174.600 0.169 0.000 1.292 327 S CA 0.352 58.666 58.200 0.191 0.000 1.063 327 S CB 0.646 63.999 63.200 0.255 0.000 0.831 327 S HN 0.260 nan 8.310 nan 0.000 0.499 328 Q N 2.081 121.950 119.800 0.114 0.000 2.356 328 Q HA 0.526 4.867 4.340 0.001 0.000 0.270 328 Q C -1.287 174.763 176.000 0.082 0.000 1.058 328 Q CA -0.928 54.935 55.803 0.100 0.000 0.802 328 Q CB 1.973 30.758 28.738 0.079 0.000 1.303 328 Q HN 0.471 nan 8.270 nan 0.000 0.444 329 K N 1.375 121.824 120.400 0.083 0.000 2.426 329 K HA 0.445 4.766 4.320 0.001 0.000 0.251 329 K C -1.783 174.873 176.600 0.094 0.000 0.941 329 K CA -0.517 55.815 56.287 0.075 0.000 0.808 329 K CB 1.943 34.477 32.500 0.057 0.000 1.265 329 K HN 0.560 nan 8.250 nan 0.000 0.432 330 E N 2.435 122.689 120.200 0.090 0.000 2.304 330 E HA 0.487 4.838 4.350 0.001 0.000 0.277 330 E C -1.544 175.113 176.600 0.095 0.000 0.898 330 E CA -0.798 55.666 56.400 0.106 0.000 0.764 330 E CB 0.875 30.625 29.700 0.084 0.000 1.216 330 E HN 0.804 nan 8.360 nan 0.000 0.419 331 C N 1.166 120.545 119.300 0.133 0.000 2.889 331 C HA 0.887 5.347 4.460 0.001 0.000 0.307 331 C C -0.707 174.379 174.990 0.159 0.000 1.251 331 C CA -0.735 58.336 59.018 0.089 0.000 1.593 331 C CB 0.601 28.368 27.740 0.044 0.000 2.104 331 C HN 0.430 nan 8.230 nan 0.000 0.476 332 V N 2.175 122.138 119.914 0.081 0.000 2.495 332 V HA 0.547 4.668 4.120 0.001 0.000 0.298 332 V C -0.531 175.617 176.094 0.089 0.000 1.031 332 V CA -0.278 62.093 62.300 0.119 0.000 0.871 332 V CB 1.475 33.322 31.823 0.040 0.000 0.988 332 V HN 0.842 nan 8.190 nan 0.000 0.432 333 L N 6.269 127.613 121.223 0.203 0.000 2.283 333 L HA 0.515 4.856 4.340 0.001 0.000 0.281 333 L C -0.272 176.663 176.870 0.108 0.000 1.033 333 L CA 0.221 55.151 54.840 0.150 0.000 0.848 333 L CB 0.555 42.777 42.059 0.271 0.000 1.226 333 L HN 0.520 nan 8.230 nan 0.000 0.429 334 L N 4.351 125.593 121.223 0.031 0.000 2.461 334 L HA 0.101 4.442 4.340 0.001 0.000 0.272 334 L C 1.732 178.616 176.870 0.023 0.000 1.197 334 L CA -0.066 54.778 54.840 0.007 0.000 0.836 334 L CB 0.421 42.470 42.059 -0.016 0.000 1.105 334 L HN 0.704 nan 8.230 nan 0.000 0.477 335 K N 1.087 121.489 120.400 0.003 0.000 2.163 335 K HA -0.233 4.088 4.320 0.001 0.000 0.210 335 K C 0.583 177.201 176.600 0.030 0.000 1.048 335 K CA 2.018 58.315 56.287 0.016 0.000 0.928 335 K CB 0.147 32.643 32.500 -0.007 0.000 0.716 335 K HN 0.646 nan 8.250 nan 0.000 0.459 336 D N -0.462 119.950 120.400 0.020 0.000 2.479 336 D HA 0.064 4.705 4.640 0.001 0.000 0.218 336 D C -0.395 175.920 176.300 0.025 0.000 1.177 336 D CA 0.011 54.024 54.000 0.023 0.000 0.830 336 D CB 0.494 41.304 40.800 0.016 0.000 1.014 336 D HN 0.124 nan 8.370 nan 0.000 0.503 337 R N 1.628 122.142 120.500 0.024 0.000 2.349 337 R HA 0.196 4.537 4.340 0.001 0.000 0.299 337 R C -1.399 174.922 176.300 0.036 0.000 1.027 337 R CA -1.261 54.853 56.100 0.023 0.000 0.958 337 R CB 1.471 31.772 30.300 0.001 0.000 1.047 337 R HN -0.079 nan 8.270 nan 0.000 0.468 338 P HA -0.140 nan 4.420 nan 0.000 0.223 338 P C -0.623 176.710 177.300 0.054 0.000 1.151 338 P CA 1.275 64.408 63.100 0.056 0.000 0.787 338 P CB 0.436 32.179 31.700 0.072 0.000 0.788 339 E N -1.221 119.018 120.200 0.064 0.000 2.429 339 E HA 0.500 4.851 4.350 0.001 0.000 0.280 339 E C -1.311 175.299 176.600 0.017 0.000 1.068 339 E CA -1.116 55.309 56.400 0.041 0.000 0.837 339 E CB 1.522 31.347 29.700 0.209 0.000 1.357 339 E HN 0.111 nan 8.360 nan 0.000 0.455 340 C N -0.800 118.466 119.300 -0.057 0.000 3.239 340 C HA 0.970 5.431 4.460 0.001 0.000 0.317 340 C C -1.762 173.225 174.990 -0.004 0.000 1.310 340 C CA -0.413 58.503 59.018 -0.170 0.000 1.371 340 C CB -0.061 27.573 27.740 -0.176 0.000 1.714 340 C HN 1.090 nan 8.230 nan 0.000 0.473 341 W N 0.102 121.401 121.300 -0.001 0.000 3.005 341 W HA 0.698 5.358 4.660 0.001 0.000 0.343 341 W C -1.587 174.955 176.519 0.037 0.000 1.243 341 W CA -1.199 56.166 57.345 0.033 0.000 1.186 341 W CB 0.658 30.202 29.460 0.141 0.000 1.453 341 W HN 1.038 nan 8.180 nan 0.000 0.575 342 C N 3.263 122.756 119.300 0.322 0.000 2.660 342 C HA 0.727 5.188 4.460 0.001 0.000 0.336 342 C C -0.574 174.564 174.990 0.248 0.000 1.058 342 C CA -0.514 58.632 59.018 0.212 0.000 1.368 342 C CB -0.293 27.510 27.740 0.105 0.000 1.884 342 C HN 0.816 nan 8.230 nan 0.000 0.454 343 R N 3.364 124.046 120.500 0.302 0.000 2.778 343 R HA 0.591 4.931 4.340 0.001 0.000 0.277 343 R C -1.087 175.278 176.300 0.110 0.000 0.977 343 R CA -0.341 55.862 56.100 0.171 0.000 0.950 343 R CB 1.029 31.409 30.300 0.133 0.000 1.165 343 R HN 0.608 nan 8.270 nan 0.000 0.474 344 D N 1.666 122.099 120.400 0.055 0.000 2.347 344 D HA 0.056 4.697 4.640 0.001 0.000 0.235 344 D C -0.560 175.743 176.300 0.006 0.000 1.149 344 D CA 0.271 54.288 54.000 0.029 0.000 0.850 344 D CB 1.713 42.520 40.800 0.011 0.000 1.061 344 D HN 0.418 nan 8.370 nan 0.000 0.487 345 S N 1.791 117.500 115.700 0.015 0.000 2.544 345 S HA 0.126 4.597 4.470 0.001 0.000 0.290 345 S C 1.502 176.065 174.600 -0.062 0.000 1.276 345 S CA -0.204 57.996 58.200 -0.000 0.000 1.075 345 S CB 0.698 63.914 63.200 0.026 0.000 0.849 345 S HN 0.471 nan 8.310 nan 0.000 0.494 346 A N 5.068 127.821 122.820 -0.111 0.000 1.978 346 A HA -0.062 4.259 4.320 0.001 0.000 0.220 346 A C 2.225 179.657 177.584 -0.253 0.000 1.170 346 A CA 2.297 54.155 52.037 -0.298 0.000 0.636 346 A CB -1.338 17.386 19.000 -0.461 0.000 0.810 346 A HN 0.856 nan 8.150 nan 0.000 0.448 347 T N 0.321 114.819 114.554 -0.093 0.000 2.639 347 T HA -0.107 4.243 4.350 0.001 0.000 0.261 347 T C 1.424 176.107 174.700 -0.029 0.000 1.053 347 T CA 1.407 63.492 62.100 -0.026 0.000 1.158 347 T CB -0.500 68.399 68.868 0.051 0.000 0.863 347 T HN 0.461 nan 8.240 nan 0.000 0.413 348 D N 1.168 121.562 120.400 -0.010 0.000 2.311 348 D HA -0.072 4.569 4.640 0.001 0.000 0.212 348 D C 1.734 178.020 176.300 -0.023 0.000 0.972 348 D CA 0.779 54.777 54.000 -0.003 0.000 0.887 348 D CB -0.109 40.698 40.800 0.013 0.000 0.915 348 D HN 0.394 nan 8.370 nan 0.000 0.497 349 E N -0.145 120.019 120.200 -0.058 0.000 2.498 349 E HA 0.047 4.398 4.350 0.001 0.000 0.203 349 E C -0.028 176.515 176.600 -0.095 0.000 1.013 349 E CA -0.144 56.214 56.400 -0.070 0.000 0.927 349 E CB 0.201 29.849 29.700 -0.086 0.000 1.012 349 E HN 0.295 nan 8.360 nan 0.000 0.482 350 Q N 0.558 120.296 119.800 -0.104 0.000 2.434 350 Q HA -0.188 4.153 4.340 0.001 0.000 0.366 350 Q C 0.516 176.430 176.000 -0.144 0.000 1.398 350 Q CA 0.132 55.877 55.803 -0.097 0.000 1.074 350 Q CB -1.342 27.370 28.738 -0.044 0.000 1.236 350 Q HN 0.291 nan 8.270 nan 0.000 0.329 351 L N -1.221 119.816 121.223 -0.311 0.000 2.515 351 L HA 0.146 4.487 4.340 0.001 0.000 0.223 351 L C 1.320 178.056 176.870 -0.223 0.000 1.079 351 L CA 0.350 54.966 54.840 -0.373 0.000 0.857 351 L CB 0.129 41.783 42.059 -0.674 0.000 1.050 351 L HN 0.427 nan 8.230 nan 0.000 0.476 352 F N -1.095 118.837 119.950 -0.030 0.000 2.704 352 F HA 0.234 4.762 4.527 0.001 0.000 0.304 352 F C 1.873 177.669 175.800 -0.008 0.000 1.094 352 F CA -0.319 57.674 58.000 -0.012 0.000 1.275 352 F CB 0.602 39.597 39.000 -0.009 0.000 1.073 352 F HN -0.084 nan 8.300 nan 0.000 0.586 353 R N -1.108 119.459 120.500 0.113 0.000 3.361 353 R HA 0.459 4.799 4.340 0.001 0.000 0.188 353 R C -0.238 176.076 176.300 0.022 0.000 1.441 353 R CA 0.034 56.170 56.100 0.061 0.000 0.810 353 R CB 1.198 31.529 30.300 0.051 0.000 1.658 353 R HN 0.038 nan 8.270 nan 0.000 0.483 354 C N 0.447 119.751 119.300 0.007 0.000 4.214 354 C HA 0.163 4.624 4.460 0.001 0.000 0.336 354 C C -0.919 174.066 174.990 -0.008 0.000 2.348 354 C CA -0.096 58.917 59.018 -0.008 0.000 1.505 354 C CB -0.356 27.374 27.740 -0.017 0.000 2.638 354 C HN 0.943 nan 8.230 nan 0.000 0.514 355 E N 1.986 122.186 120.200 0.001 0.000 2.332 355 E HA -0.183 4.168 4.350 0.001 0.000 0.162 355 E C -0.397 176.203 176.600 -0.001 0.000 1.637 355 E CA 0.153 56.555 56.400 0.003 0.000 0.654 355 E CB -0.464 29.238 29.700 0.002 0.000 1.072 355 E HN 0.587 nan 8.360 nan 0.000 0.336 356 L N 2.066 123.289 121.223 -0.000 0.000 2.559 356 L HA 0.047 4.388 4.340 0.001 0.000 0.274 356 L C 1.194 178.063 176.870 -0.001 0.000 1.205 356 L CA 0.833 55.670 54.840 -0.004 0.000 0.907 356 L CB 0.512 42.570 42.059 -0.002 0.000 1.153 356 L HN 0.283 nan 8.230 nan 0.000 0.490 357 S N 1.850 117.546 115.700 -0.006 0.000 2.549 357 S HA 0.198 4.669 4.470 0.001 0.000 0.279 357 S C 1.661 176.260 174.600 -0.001 0.000 1.321 357 S CA -0.735 57.462 58.200 -0.004 0.000 1.054 357 S CB 0.853 64.048 63.200 -0.008 0.000 0.899 357 S HN 0.407 nan 8.310 nan 0.000 0.497 358 V N 5.054 124.969 119.914 0.002 0.000 2.329 358 V HA -0.355 3.766 4.120 0.001 0.000 0.265 358 V C 2.158 178.254 176.094 0.003 0.000 1.119 358 V CA 2.744 65.047 62.300 0.004 0.000 1.110 358 V CB -1.254 30.571 31.823 0.004 0.000 0.735 358 V HN 0.901 nan 8.190 nan 0.000 0.455 359 E N -0.261 119.939 120.200 -0.001 0.000 2.008 359 E HA -0.208 4.143 4.350 0.001 0.000 0.191 359 E C 2.295 178.893 176.600 -0.003 0.000 0.986 359 E CA 1.165 57.563 56.400 -0.003 0.000 0.807 359 E CB -0.292 29.404 29.700 -0.007 0.000 0.766 359 E HN 0.599 nan 8.360 nan 0.000 0.450 360 K N 1.055 121.450 120.400 -0.008 0.000 2.034 360 K HA -0.255 4.066 4.320 0.001 0.000 0.214 360 K C 2.433 179.032 176.600 -0.003 0.000 1.051 360 K CA 1.753 58.033 56.287 -0.011 0.000 0.931 360 K CB -0.271 32.218 32.500 -0.019 0.000 0.715 360 K HN -0.005 nan 8.250 nan 0.000 0.446 361 S N -0.374 115.327 115.700 0.002 0.000 2.372 361 S HA -0.189 4.282 4.470 0.001 0.000 0.227 361 S C 1.769 176.379 174.600 0.016 0.000 1.044 361 S CA 2.296 60.502 58.200 0.010 0.000 1.050 361 S CB -0.611 62.598 63.200 0.015 0.000 0.901 361 S HN 0.562 nan 8.310 nan 0.000 0.447 362 T N 1.465 116.028 114.554 0.015 0.000 2.746 362 T HA -0.059 4.291 4.350 0.001 0.000 0.267 362 T C 1.849 176.561 174.700 0.019 0.000 1.039 362 T CA 1.504 63.614 62.100 0.018 0.000 1.142 362 T CB -0.528 68.348 68.868 0.013 0.000 0.866 362 T HN 0.303 nan 8.240 nan 0.000 0.444 363 V N 1.260 121.183 119.914 0.015 0.000 2.427 363 V HA -0.064 4.057 4.120 0.001 0.000 0.248 363 V C 2.426 178.541 176.094 0.034 0.000 1.051 363 V CA 1.314 63.626 62.300 0.020 0.000 1.048 363 V CB -0.636 31.194 31.823 0.010 0.000 0.666 363 V HN 0.425 nan 8.190 nan 0.000 0.456 364 L N -0.657 120.582 121.223 0.026 0.000 2.095 364 L HA -0.139 4.202 4.340 0.001 0.000 0.204 364 L C 2.605 179.491 176.870 0.025 0.000 1.080 364 L CA 1.233 56.092 54.840 0.030 0.000 0.759 364 L CB -0.449 41.615 42.059 0.007 0.000 0.914 364 L HN 0.316 nan 8.230 nan 0.000 0.439 365 Q N -0.403 119.411 119.800 0.024 0.000 2.170 365 Q HA -0.209 4.132 4.340 0.001 0.000 0.203 365 Q C 2.342 178.367 176.000 0.041 0.000 0.976 365 Q CA 2.008 57.830 55.803 0.030 0.000 0.858 365 Q CB -0.143 28.621 28.738 0.044 0.000 0.907 365 Q HN 0.307 nan 8.270 nan 0.000 0.433 366 S N -0.828 114.899 115.700 0.044 0.000 2.414 366 S HA -0.112 4.359 4.470 0.001 0.000 0.227 366 S C 1.738 176.386 174.600 0.080 0.000 1.022 366 S CA 1.045 59.277 58.200 0.052 0.000 0.958 366 S CB -0.251 62.972 63.200 0.039 0.000 0.797 366 S HN 0.475 nan 8.310 nan 0.000 0.493 367 E N 1.055 121.310 120.200 0.093 0.000 2.051 367 E HA -0.112 4.239 4.350 0.001 0.000 0.192 367 E C 1.887 178.570 176.600 0.138 0.000 0.991 367 E CA 1.285 57.777 56.400 0.153 0.000 0.799 367 E CB -0.599 29.203 29.700 0.169 0.000 0.748 367 E HN 0.440 nan 8.360 nan 0.000 0.449 368 L N 1.609 122.866 121.223 0.058 0.000 1.955 368 L HA -0.238 4.102 4.340 0.001 0.000 0.213 368 L C 2.254 179.147 176.870 0.038 0.000 1.072 368 L CA 2.807 57.644 54.840 -0.005 0.000 0.755 368 L CB -1.292 40.719 42.059 -0.080 0.000 0.888 368 L HN 0.444 nan 8.230 nan 0.000 0.432 369 E N -0.975 119.261 120.200 0.060 0.000 2.065 369 E HA -0.285 4.066 4.350 0.001 0.000 0.201 369 E C 1.905 178.581 176.600 0.128 0.000 1.016 369 E CA 1.979 58.430 56.400 0.084 0.000 0.818 369 E CB -0.878 28.868 29.700 0.077 0.000 0.749 369 E HN 0.537 nan 8.360 nan 0.000 0.453 370 S N 0.299 116.101 115.700 0.170 0.000 2.400 370 S HA -0.161 4.309 4.470 0.001 0.000 0.232 370 S C 2.066 176.914 174.600 0.414 0.000 1.025 370 S CA 1.221 59.597 58.200 0.294 0.000 0.993 370 S CB -0.401 62.983 63.200 0.308 0.000 0.808 370 S HN 0.448 nan 8.310 nan 0.000 0.478 371 C N 1.888 121.337 119.300 0.247 0.000 2.450 371 C HA 0.079 4.540 4.460 0.001 0.000 0.279 371 C C 2.524 177.540 174.990 0.044 0.000 1.335 371 C CA 0.099 59.179 59.018 0.104 0.000 1.749 371 C CB -0.724 27.016 27.740 -0.000 0.000 1.963 371 C HN 0.538 nan 8.230 nan 0.000 0.501 372 K N 1.374 121.816 120.400 0.069 0.000 2.097 372 K HA -0.119 4.201 4.320 0.001 0.000 0.206 372 K C 1.629 178.291 176.600 0.103 0.000 1.049 372 K CA 1.188 57.526 56.287 0.085 0.000 0.933 372 K CB -0.431 32.133 32.500 0.107 0.000 0.717 372 K HN 0.649 nan 8.250 nan 0.000 0.442 373 E N 1.297 121.581 120.200 0.140 0.000 2.051 373 E HA -0.111 4.240 4.350 0.001 0.000 0.192 373 E C 2.142 178.835 176.600 0.154 0.000 0.991 373 E CA 0.545 57.040 56.400 0.159 0.000 0.799 373 E CB -0.208 29.621 29.700 0.215 0.000 0.748 373 E HN 0.149 nan 8.360 nan 0.000 0.449 374 L N 1.235 122.548 121.223 0.151 0.000 2.187 374 L HA -0.270 4.071 4.340 0.001 0.000 0.213 374 L C 2.659 179.538 176.870 0.015 0.000 1.100 374 L CA 1.246 56.101 54.840 0.025 0.000 0.765 374 L CB -0.144 41.745 42.059 -0.283 0.000 0.904 374 L HN 0.263 nan 8.230 nan 0.000 0.437 375 Q N -0.219 119.595 119.800 0.023 0.000 2.083 375 Q HA -0.217 4.124 4.340 0.001 0.000 0.198 375 Q C 1.854 177.878 176.000 0.040 0.000 0.969 375 Q CA 1.467 57.282 55.803 0.021 0.000 0.838 375 Q CB 0.086 28.852 28.738 0.046 0.000 0.900 375 Q HN 0.596 nan 8.270 nan 0.000 0.436 376 E N 0.397 120.632 120.200 0.058 0.000 2.077 376 E HA -0.194 4.157 4.350 0.001 0.000 0.193 376 E C 2.130 178.762 176.600 0.053 0.000 0.989 376 E CA 1.091 57.523 56.400 0.054 0.000 0.800 376 E CB -0.044 29.694 29.700 0.063 0.000 0.746 376 E HN 0.363 nan 8.360 nan 0.000 0.452 377 L N 0.382 121.646 121.223 0.068 0.000 2.044 377 L HA -0.079 4.262 4.340 0.001 0.000 0.205 377 L C 0.775 177.679 176.870 0.058 0.000 1.075 377 L CA 0.839 55.722 54.840 0.072 0.000 0.747 377 L CB 0.249 42.369 42.059 0.102 0.000 0.903 377 L HN -0.045 nan 8.230 nan 0.000 0.435 378 E N -0.462 119.768 120.200 0.050 0.000 2.400 378 E HA 0.114 4.465 4.350 0.001 0.000 0.232 378 E C -1.668 174.942 176.600 0.017 0.000 0.988 378 E CA -1.924 54.500 56.400 0.040 0.000 0.823 378 E CB 0.800 30.532 29.700 0.053 0.000 1.246 378 E HN 0.059 nan 8.360 nan 0.000 0.441 379 P HA -0.117 nan 4.420 nan 0.000 0.217 379 P C 0.263 177.552 177.300 -0.018 0.000 1.151 379 P CA 0.978 64.079 63.100 0.001 0.000 0.828 379 P CB 0.575 32.278 31.700 0.005 0.000 0.788 380 E N -0.274 119.916 120.200 -0.016 0.000 2.445 380 E HA 0.037 4.388 4.350 0.001 0.000 0.189 380 E C 0.562 177.130 176.600 -0.054 0.000 1.069 380 E CA -0.141 56.239 56.400 -0.033 0.000 0.871 380 E CB -0.874 28.815 29.700 -0.018 0.000 0.991 380 E HN 0.327 nan 8.360 nan 0.000 0.481 381 N N 2.141 120.809 118.700 -0.054 0.000 2.439 381 N HA -0.016 4.725 4.740 0.001 0.000 0.243 381 N C 1.068 176.443 175.510 -0.225 0.000 1.088 381 N CA 0.011 53.018 53.050 -0.072 0.000 0.940 381 N CB 0.789 39.275 38.487 -0.003 0.000 1.180 381 N HN -0.058 nan 8.380 nan 0.000 0.505 382 K N 3.909 124.102 120.400 -0.346 0.000 2.097 382 K HA -0.107 4.214 4.320 0.001 0.000 0.206 382 K C 1.258 177.457 176.600 -0.669 0.000 1.049 382 K CA 1.423 57.408 56.287 -0.502 0.000 0.933 382 K CB -0.378 31.759 32.500 -0.606 0.000 0.717 382 K HN 0.499 nan 8.250 nan 0.000 0.442 383 W N 0.685 121.578 121.300 -0.678 0.000 2.342 383 W HA -0.146 4.515 4.660 0.001 0.000 0.297 383 W C 2.547 178.161 176.519 -1.507 0.000 1.213 383 W CA 0.660 57.270 57.345 -1.225 0.000 1.251 383 W CB -1.091 27.154 29.460 -2.024 0.000 1.136 383 W HN 0.320 nan 8.180 nan 0.000 0.526 384 C N 0.407 119.123 119.300 -0.974 0.000 2.462 384 C HA -0.152 4.309 4.460 0.001 0.000 0.278 384 C C 2.681 177.337 174.990 -0.556 0.000 1.253 384 C CA 1.166 59.704 59.018 -0.800 0.000 1.713 384 C CB -1.318 26.195 27.740 -0.378 0.000 2.049 384 C HN 0.340 nan 8.230 nan 0.000 0.477 385 L N 0.552 121.530 121.223 -0.409 0.000 1.997 385 L HA -0.224 4.117 4.340 0.001 0.000 0.216 385 L C 2.673 179.277 176.870 -0.443 0.000 1.074 385 L CA 1.910 56.549 54.840 -0.334 0.000 0.763 385 L CB -0.922 41.037 42.059 -0.165 0.000 0.890 385 L HN 0.486 nan 8.230 nan 0.000 0.434 386 L N -0.487 120.481 121.223 -0.425 0.000 1.990 386 L HA -0.283 4.058 4.340 0.001 0.000 0.213 386 L C 2.590 179.246 176.870 -0.356 0.000 1.072 386 L CA 2.230 56.849 54.840 -0.369 0.000 0.755 386 L CB -0.456 41.406 42.059 -0.329 0.000 0.889 386 L HN 0.354 nan 8.230 nan 0.000 0.432 387 T N 0.285 114.589 114.554 -0.416 0.000 2.849 387 T HA -0.173 4.178 4.350 0.001 0.000 0.270 387 T C 1.834 176.341 174.700 -0.322 0.000 1.066 387 T CA 1.456 63.358 62.100 -0.330 0.000 1.130 387 T CB -0.295 68.323 68.868 -0.416 0.000 0.864 387 T HN 0.335 nan 8.240 nan 0.000 0.481 388 I N 0.346 120.652 120.570 -0.440 0.000 2.394 388 I HA -0.106 4.064 4.170 0.001 0.000 0.251 388 I C 2.180 177.991 176.117 -0.511 0.000 1.136 388 I CA 1.207 62.199 61.300 -0.512 0.000 1.425 388 I CB -0.387 37.119 38.000 -0.823 0.000 1.079 388 I HN 0.258 nan 8.210 nan 0.000 0.425 389 I N 0.589 120.864 120.570 -0.493 0.000 2.193 389 I HA -0.274 3.897 4.170 0.001 0.000 0.240 389 I C 2.456 178.387 176.117 -0.310 0.000 1.084 389 I CA 1.364 62.418 61.300 -0.409 0.000 1.365 389 I CB -0.280 37.450 38.000 -0.451 0.000 1.064 389 I HN 0.144 nan 8.210 nan 0.000 0.410 390 L N 0.302 121.398 121.223 -0.211 0.000 2.127 390 L HA -0.244 4.096 4.340 0.001 0.000 0.211 390 L C 2.514 179.300 176.870 -0.140 0.000 1.089 390 L CA 1.290 56.055 54.840 -0.125 0.000 0.757 390 L CB -0.560 41.503 42.059 0.006 0.000 0.899 390 L HN 0.304 nan 8.230 nan 0.000 0.434 391 L N -1.139 119.987 121.223 -0.162 0.000 2.056 391 L HA -0.202 4.138 4.340 0.001 0.000 0.207 391 L C 2.647 179.354 176.870 -0.273 0.000 1.078 391 L CA 1.264 56.012 54.840 -0.155 0.000 0.749 391 L CB -0.298 41.673 42.059 -0.146 0.000 0.901 391 L HN 0.301 nan 8.230 nan 0.000 0.433 392 M N -1.141 118.218 119.600 -0.401 0.000 2.175 392 M HA -0.138 4.343 4.480 0.001 0.000 0.264 392 M C 2.290 178.418 176.300 -0.286 0.000 1.063 392 M CA 1.264 56.226 55.300 -0.562 0.000 1.119 392 M CB -0.307 31.961 32.600 -0.554 0.000 1.377 392 M HN 0.138 nan 8.290 nan 0.000 0.415 393 R N 0.319 120.650 120.500 -0.283 0.000 2.115 393 R HA 0.018 4.359 4.340 0.001 0.000 0.230 393 R C 2.147 178.361 176.300 -0.143 0.000 1.111 393 R CA 1.478 57.411 56.100 -0.279 0.000 0.976 393 R CB -1.046 28.941 30.300 -0.521 0.000 0.870 393 R HN 0.391 nan 8.270 nan 0.000 0.445 394 A N 0.556 123.302 122.820 -0.123 0.000 1.970 394 A HA 0.023 4.344 4.320 0.001 0.000 0.216 394 A C 2.198 179.760 177.584 -0.038 0.000 1.170 394 A CA 0.688 52.688 52.037 -0.062 0.000 0.645 394 A CB -0.173 18.795 19.000 -0.053 0.000 0.816 394 A HN 0.125 nan 8.150 nan 0.000 0.447 395 L N -1.421 119.770 121.223 -0.054 0.000 2.046 395 L HA 0.128 4.469 4.340 0.001 0.000 0.203 395 L C 0.465 177.389 176.870 0.089 0.000 1.111 395 L CA 0.836 55.684 54.840 0.013 0.000 0.769 395 L CB 0.036 42.091 42.059 -0.006 0.000 0.914 395 L HN 0.243 nan 8.230 nan 0.000 0.448 396 D N -1.482 119.036 120.400 0.196 0.000 2.364 396 D HA 0.185 4.826 4.640 0.001 0.000 0.251 396 D C -2.075 174.354 176.300 0.214 0.000 1.282 396 D CA -1.552 52.564 54.000 0.193 0.000 0.927 396 D CB 1.585 42.493 40.800 0.179 0.000 1.267 396 D HN -0.155 nan 8.370 nan 0.000 0.531 397 P HA -0.131 nan 4.420 nan 0.000 0.216 397 P C 1.819 179.157 177.300 0.064 0.000 1.157 397 P CA 0.922 64.052 63.100 0.050 0.000 0.880 397 P CB 0.485 32.194 31.700 0.016 0.000 0.791 398 L N -2.195 119.052 121.223 0.041 0.000 2.056 398 L HA -0.156 4.185 4.340 0.001 0.000 0.207 398 L C 2.413 179.270 176.870 -0.022 0.000 1.078 398 L CA 0.944 55.789 54.840 0.008 0.000 0.749 398 L CB -0.917 41.129 42.059 -0.021 0.000 0.901 398 L HN -0.020 nan 8.230 nan 0.000 0.433 399 L N -0.889 120.299 121.223 -0.058 0.000 1.994 399 L HA -0.214 4.127 4.340 0.001 0.000 0.208 399 L C 1.650 178.359 176.870 -0.268 0.000 1.071 399 L CA 1.782 56.494 54.840 -0.213 0.000 0.745 399 L CB -0.503 41.337 42.059 -0.367 0.000 0.892 399 L HN 0.137 nan 8.230 nan 0.000 0.431 400 Y N -0.554 119.741 120.300 -0.009 0.000 2.506 400 Y HA -0.004 4.547 4.550 0.001 0.000 0.333 400 Y C 2.024 177.935 175.900 0.018 0.000 1.177 400 Y CA 0.125 58.226 58.100 0.003 0.000 1.292 400 Y CB -0.686 37.764 38.460 -0.016 0.000 1.124 400 Y HN 0.338 nan 8.280 nan 0.000 0.507 401 E N 0.784 121.038 120.200 0.090 0.000 2.031 401 E HA -0.253 4.097 4.350 0.001 0.000 0.193 401 E C 2.085 178.742 176.600 0.095 0.000 0.994 401 E CA 1.278 57.731 56.400 0.089 0.000 0.800 401 E CB 0.194 29.922 29.700 0.047 0.000 0.752 401 E HN 0.218 nan 8.360 nan 0.000 0.447 402 K N 0.607 121.042 120.400 0.059 0.000 2.057 402 K HA -0.180 4.141 4.320 0.001 0.000 0.207 402 K C 1.884 178.533 176.600 0.081 0.000 1.049 402 K CA 1.712 58.030 56.287 0.051 0.000 0.931 402 K CB 0.030 32.539 32.500 0.016 0.000 0.714 402 K HN 0.025 nan 8.250 nan 0.000 0.440 403 E N -0.581 119.690 120.200 0.118 0.000 2.031 403 E HA -0.120 4.231 4.350 0.001 0.000 0.193 403 E C 2.011 178.750 176.600 0.232 0.000 0.994 403 E CA 1.926 58.433 56.400 0.178 0.000 0.800 403 E CB -0.736 29.141 29.700 0.295 0.000 0.752 403 E HN 0.257 nan 8.360 nan 0.000 0.447 404 T N 1.504 116.193 114.554 0.226 0.000 2.624 404 T HA -0.200 4.151 4.350 0.001 0.000 0.268 404 T C 1.884 176.736 174.700 0.253 0.000 1.041 404 T CA 1.397 63.609 62.100 0.187 0.000 1.159 404 T CB -0.454 68.517 68.868 0.172 0.000 0.863 404 T HN 0.066 nan 8.240 nan 0.000 0.434 405 L N 0.846 122.228 121.223 0.265 0.000 2.079 405 L HA -0.175 4.166 4.340 0.001 0.000 0.210 405 L C 2.985 179.969 176.870 0.191 0.000 1.081 405 L CA 1.385 56.392 54.840 0.278 0.000 0.752 405 L CB -0.708 41.447 42.059 0.161 0.000 0.896 405 L HN 0.396 nan 8.230 nan 0.000 0.433 406 Q N -1.000 118.854 119.800 0.091 0.000 2.079 406 Q HA -0.210 4.131 4.340 0.001 0.000 0.200 406 Q C 2.164 178.115 176.000 -0.082 0.000 0.974 406 Q CA 1.570 57.356 55.803 -0.028 0.000 0.840 406 Q CB -0.293 28.374 28.738 -0.119 0.000 0.898 406 Q HN 0.475 nan 8.270 nan 0.000 0.430 407 Y N -0.229 120.054 120.300 -0.027 0.000 2.242 407 Y HA -0.189 4.362 4.550 0.001 0.000 0.291 407 Y C 1.992 177.824 175.900 -0.114 0.000 1.137 407 Y CA 0.990 59.022 58.100 -0.113 0.000 1.181 407 Y CB -0.303 38.031 38.460 -0.211 0.000 0.989 407 Y HN 0.025 nan 8.280 nan 0.000 0.527 408 F N -0.497 119.526 119.950 0.121 0.000 2.126 408 F HA -0.277 4.251 4.527 0.001 0.000 0.299 408 F C 2.587 178.391 175.800 0.007 0.000 1.096 408 F CA 1.706 59.736 58.000 0.050 0.000 1.255 408 F CB -1.006 38.016 39.000 0.036 0.000 0.997 408 F HN -0.127 nan 8.300 nan 0.000 0.479 409 S N -0.681 115.125 115.700 0.177 0.000 2.353 409 S HA -0.213 4.258 4.470 0.001 0.000 0.222 409 S C 2.141 176.759 174.600 0.029 0.000 1.035 409 S CA 1.949 60.192 58.200 0.072 0.000 1.025 409 S CB -0.673 62.541 63.200 0.024 0.000 0.902 409 S HN 0.396 nan 8.310 nan 0.000 0.440 410 T N 2.800 117.351 114.554 -0.005 0.000 2.607 410 T HA -0.089 4.262 4.350 0.001 0.000 0.267 410 T C 1.762 176.455 174.700 -0.012 0.000 1.049 410 T CA 1.217 63.299 62.100 -0.030 0.000 1.162 410 T CB -0.605 68.225 68.868 -0.063 0.000 0.863 410 T HN 0.208 nan 8.240 nan 0.000 0.424 411 L N 0.389 121.617 121.223 0.007 0.000 2.079 411 L HA -0.174 4.167 4.340 0.001 0.000 0.210 411 L C 2.648 179.513 176.870 -0.008 0.000 1.081 411 L CA 1.603 56.428 54.840 -0.025 0.000 0.752 411 L CB -0.290 41.747 42.059 -0.036 0.000 0.896 411 L HN 0.246 nan 8.230 nan 0.000 0.433 412 K N -0.728 119.698 120.400 0.044 0.000 2.147 412 K HA -0.150 4.171 4.320 0.001 0.000 0.205 412 K C 1.952 178.547 176.600 -0.007 0.000 1.049 412 K CA 1.174 57.478 56.287 0.029 0.000 0.936 412 K CB -0.013 32.514 32.500 0.045 0.000 0.722 412 K HN 0.402 nan 8.250 nan 0.000 0.446 413 A N 0.306 123.118 122.820 -0.013 0.000 1.872 413 A HA -0.090 4.231 4.320 0.001 0.000 0.214 413 A C 2.176 179.737 177.584 -0.039 0.000 1.187 413 A CA 1.518 53.540 52.037 -0.025 0.000 0.614 413 A CB -0.702 18.283 19.000 -0.024 0.000 0.826 413 A HN 0.224 nan 8.150 nan 0.000 0.442 414 V N -2.259 117.623 119.914 -0.053 0.000 2.548 414 V HA -0.000 4.121 4.120 0.001 0.000 0.249 414 V C 0.743 176.782 176.094 -0.091 0.000 1.055 414 V CA 2.128 64.386 62.300 -0.071 0.000 1.065 414 V CB -0.427 31.343 31.823 -0.089 0.000 0.681 414 V HN 0.381 nan 8.190 nan 0.000 0.462 415 D N 1.181 121.520 120.400 -0.101 0.000 2.634 415 D HA 0.334 4.975 4.640 0.001 0.000 0.318 415 D C -1.252 175.004 176.300 -0.073 0.000 1.226 415 D CA -2.236 51.692 54.000 -0.121 0.000 0.899 415 D CB 1.175 41.857 40.800 -0.197 0.000 1.025 415 D HN 0.290 nan 8.370 nan 0.000 0.501 416 P HA -0.176 nan 4.420 nan 0.000 0.216 416 P C 1.747 179.030 177.300 -0.029 0.000 1.150 416 P CA 0.730 63.809 63.100 -0.033 0.000 0.837 416 P CB 0.314 31.997 31.700 -0.029 0.000 0.786 417 M N -1.222 118.356 119.600 -0.036 0.000 2.346 417 M HA -0.127 4.353 4.480 0.001 0.000 0.263 417 M C 1.273 177.563 176.300 -0.017 0.000 1.064 417 M CA 1.558 56.842 55.300 -0.028 0.000 1.083 417 M CB -0.329 32.250 32.600 -0.034 0.000 1.399 417 M HN -0.186 nan 8.290 nan 0.000 0.435 418 R N -0.580 119.910 120.500 -0.017 0.000 2.831 418 R HA 0.289 4.629 4.340 0.001 0.000 0.337 418 R C 1.289 177.625 176.300 0.060 0.000 1.200 418 R CA -0.072 56.049 56.100 0.034 0.000 1.088 418 R CB -0.141 30.174 30.300 0.025 0.000 1.397 418 R HN 0.197 nan 8.270 nan 0.000 0.581 419 A N 0.615 123.446 122.820 0.018 0.000 1.873 419 A HA -0.103 4.218 4.320 0.001 0.000 0.215 419 A C 2.234 179.807 177.584 -0.018 0.000 1.186 419 A CA 1.686 53.722 52.037 -0.002 0.000 0.616 419 A CB -0.503 18.488 19.000 -0.016 0.000 0.823 419 A HN 0.432 nan 8.150 nan 0.000 0.442 420 A N -1.222 121.595 122.820 -0.006 0.000 1.883 420 A HA -0.158 4.162 4.320 0.001 0.000 0.217 420 A C 2.166 179.734 177.584 -0.027 0.000 1.186 420 A CA 1.853 53.877 52.037 -0.023 0.000 0.624 420 A CB -0.961 18.038 19.000 -0.002 0.000 0.822 420 A HN 0.757 nan 8.150 nan 0.000 0.444 421 Y N 0.738 120.999 120.300 -0.065 0.000 2.070 421 Y HA -0.224 4.326 4.550 0.001 0.000 0.280 421 Y C 2.044 177.894 175.900 -0.083 0.000 1.148 421 Y CA 2.032 60.092 58.100 -0.066 0.000 1.125 421 Y CB -0.557 37.877 38.460 -0.043 0.000 0.975 421 Y HN 0.225 nan 8.280 nan 0.000 0.492 422 L N -0.069 121.081 121.223 -0.122 0.000 2.021 422 L HA -0.308 4.032 4.340 0.001 0.000 0.215 422 L C 2.272 178.887 176.870 -0.426 0.000 1.074 422 L CA 1.716 56.459 54.840 -0.161 0.000 0.760 422 L CB -0.846 41.266 42.059 0.088 0.000 0.889 422 L HN 0.244 nan 8.230 nan 0.000 0.433 423 D N 0.197 120.403 120.400 -0.322 0.000 2.092 423 D HA -0.190 4.451 4.640 0.001 0.000 0.193 423 D C 1.825 177.883 176.300 -0.402 0.000 0.994 423 D CA 1.547 55.339 54.000 -0.346 0.000 0.828 423 D CB -0.253 40.420 40.800 -0.211 0.000 0.963 423 D HN 0.340 nan 8.370 nan 0.000 0.450 424 D N -0.111 120.064 120.400 -0.375 0.000 2.178 424 D HA -0.109 4.532 4.640 0.001 0.000 0.202 424 D C 2.079 178.071 176.300 -0.514 0.000 0.974 424 D CA 0.187 53.962 54.000 -0.374 0.000 0.841 424 D CB -0.250 40.372 40.800 -0.297 0.000 0.953 424 D HN 0.145 nan 8.370 nan 0.000 0.478 425 L N 0.916 121.728 121.223 -0.684 0.000 2.044 425 L HA -0.039 4.302 4.340 0.001 0.000 0.205 425 L C 2.258 178.611 176.870 -0.862 0.000 1.075 425 L CA 1.542 55.891 54.840 -0.817 0.000 0.747 425 L CB -0.449 41.155 42.059 -0.757 0.000 0.903 425 L HN -0.149 nan 8.230 nan 0.000 0.435 426 R N -1.057 118.911 120.500 -0.886 0.000 2.081 426 R HA -0.144 4.196 4.340 0.001 0.000 0.235 426 R C 2.154 178.187 176.300 -0.445 0.000 1.131 426 R CA 1.722 57.283 56.100 -0.899 0.000 0.960 426 R CB -0.260 29.260 30.300 -1.300 0.000 0.856 426 R HN 0.423 nan 8.270 nan 0.000 0.436 427 S N 0.975 116.420 115.700 -0.425 0.000 2.353 427 S HA -0.193 4.278 4.470 0.001 0.000 0.222 427 S C 1.731 176.176 174.600 -0.259 0.000 1.035 427 S CA 1.655 59.684 58.200 -0.284 0.000 1.025 427 S CB -0.302 62.739 63.200 -0.264 0.000 0.902 427 S HN 0.415 nan 8.310 nan 0.000 0.440 428 K N 0.651 120.833 120.400 -0.363 0.000 2.044 428 K HA -0.138 4.183 4.320 0.001 0.000 0.210 428 K C 1.845 178.357 176.600 -0.146 0.000 1.049 428 K CA 1.603 57.693 56.287 -0.329 0.000 0.927 428 K CB -0.371 31.859 32.500 -0.450 0.000 0.713 428 K HN 0.420 nan 8.250 nan 0.000 0.443 429 F N 1.080 120.973 119.950 -0.095 0.000 2.134 429 F HA -0.183 4.345 4.527 0.001 0.000 0.299 429 F C 2.265 178.012 175.800 -0.087 0.000 1.097 429 F CA 0.383 58.346 58.000 -0.061 0.000 1.264 429 F CB -0.149 38.877 39.000 0.044 0.000 1.001 429 F HN -0.007 nan 8.300 nan 0.000 0.479 430 L N -0.163 121.114 121.223 0.090 0.000 2.042 430 L HA -0.272 4.069 4.340 0.001 0.000 0.210 430 L C 2.427 179.290 176.870 -0.011 0.000 1.076 430 L CA 1.117 55.973 54.840 0.028 0.000 0.749 430 L CB -0.633 41.412 42.059 -0.023 0.000 0.893 430 L HN 0.201 nan 8.230 nan 0.000 0.432 431 L N -0.338 120.856 121.223 -0.049 0.000 1.994 431 L HA -0.251 4.090 4.340 0.001 0.000 0.208 431 L C 2.599 179.408 176.870 -0.101 0.000 1.071 431 L CA 1.626 56.431 54.840 -0.060 0.000 0.745 431 L CB -0.305 41.710 42.059 -0.073 0.000 0.892 431 L HN 0.231 nan 8.230 nan 0.000 0.431 432 E N -0.474 119.589 120.200 -0.228 0.000 2.070 432 E HA -0.261 4.090 4.350 0.001 0.000 0.197 432 E C 1.910 178.368 176.600 -0.236 0.000 1.004 432 E CA 1.512 57.536 56.400 -0.626 0.000 0.805 432 E CB -0.309 28.795 29.700 -0.993 0.000 0.744 432 E HN 0.497 nan 8.360 nan 0.000 0.451 433 N N 0.588 119.237 118.700 -0.086 0.000 2.061 433 N HA -0.143 4.598 4.740 0.001 0.000 0.193 433 N C 1.959 177.488 175.510 0.033 0.000 1.030 433 N CA 1.290 54.343 53.050 0.005 0.000 0.856 433 N CB -0.526 37.978 38.487 0.028 0.000 1.023 433 N HN 0.002 nan 8.380 nan 0.000 0.424 434 S N 0.477 116.190 115.700 0.023 0.000 2.356 434 S HA -0.058 4.413 4.470 0.001 0.000 0.223 434 S C 2.284 176.925 174.600 0.070 0.000 1.032 434 S CA 0.869 59.099 58.200 0.049 0.000 1.005 434 S CB -0.297 62.925 63.200 0.036 0.000 0.867 434 S HN 0.111 nan 8.310 nan 0.000 0.449 435 V N 2.276 122.231 119.914 0.068 0.000 2.287 435 V HA -0.191 3.930 4.120 0.001 0.000 0.248 435 V C 2.181 178.378 176.094 0.171 0.000 1.053 435 V CA 1.599 63.977 62.300 0.130 0.000 1.027 435 V CB -0.831 31.127 31.823 0.225 0.000 0.646 435 V HN 0.417 nan 8.190 nan 0.000 0.447 436 L N -0.530 120.810 121.223 0.195 0.000 2.083 436 L HA -0.194 4.147 4.340 0.001 0.000 0.209 436 L C 2.638 179.612 176.870 0.173 0.000 1.083 436 L CA 1.662 56.620 54.840 0.197 0.000 0.752 436 L CB -0.630 41.541 42.059 0.187 0.000 0.899 436 L HN 0.310 nan 8.230 nan 0.000 0.433 437 K N -0.385 120.101 120.400 0.143 0.000 2.097 437 K HA -0.188 4.133 4.320 0.001 0.000 0.205 437 K C 2.117 178.833 176.600 0.194 0.000 1.050 437 K CA 1.417 57.804 56.287 0.167 0.000 0.938 437 K CB -0.171 32.403 32.500 0.122 0.000 0.718 437 K HN 0.307 nan 8.250 nan 0.000 0.442 438 M N 1.439 121.121 119.600 0.137 0.000 2.099 438 M HA -0.185 4.296 4.480 0.001 0.000 0.262 438 M C 1.686 178.043 176.300 0.094 0.000 1.067 438 M CA 1.731 57.090 55.300 0.099 0.000 1.124 438 M CB 0.016 32.650 32.600 0.057 0.000 1.353 438 M HN 0.080 nan 8.290 nan 0.000 0.410 439 E N -0.596 119.672 120.200 0.113 0.000 2.077 439 E HA -0.262 4.089 4.350 0.001 0.000 0.193 439 E C 1.841 178.508 176.600 0.112 0.000 0.989 439 E CA 1.743 58.204 56.400 0.100 0.000 0.800 439 E CB -0.528 29.238 29.700 0.109 0.000 0.746 439 E HN 0.665 nan 8.360 nan 0.000 0.452 440 Y N 1.347 121.678 120.300 0.052 0.000 2.181 440 Y HA -0.162 4.389 4.550 0.001 0.000 0.288 440 Y C 2.216 178.143 175.900 0.044 0.000 1.146 440 Y CA 1.445 59.573 58.100 0.047 0.000 1.164 440 Y CB -0.276 38.211 38.460 0.046 0.000 0.982 440 Y HN -0.031 nan 8.280 nan 0.000 0.515 441 A N -0.254 122.552 122.820 -0.023 0.000 2.119 441 A HA -0.036 4.284 4.320 0.001 0.000 0.217 441 A C 0.563 178.094 177.584 -0.088 0.000 1.153 441 A CA 1.021 53.004 52.037 -0.090 0.000 0.692 441 A CB -0.686 18.353 19.000 0.064 0.000 0.799 441 A HN 0.602 nan 8.150 nan 0.000 0.458 442 D N -1.349 119.025 120.400 -0.044 0.000 2.956 442 D HA -0.088 4.553 4.640 0.001 0.000 0.240 442 D C -0.153 176.155 176.300 0.014 0.000 1.141 442 D CA 0.919 54.915 54.000 -0.006 0.000 0.820 442 D CB -1.501 39.285 40.800 -0.024 0.000 0.988 442 D HN 1.066 nan 8.370 nan 0.000 0.417 443 V N -1.325 118.596 119.914 0.012 0.000 3.181 443 V HA 0.715 4.836 4.120 0.001 0.000 0.307 443 V C 0.743 176.819 176.094 -0.029 0.000 1.310 443 V CA -0.950 61.351 62.300 0.001 0.000 1.067 443 V CB 2.132 33.955 31.823 0.001 0.000 1.081 443 V HN 0.071 nan 8.190 nan 0.000 0.453 444 R N -0.418 120.053 120.500 -0.049 0.000 2.543 444 R HA 0.446 4.787 4.340 0.001 0.000 0.323 444 R C -0.703 175.555 176.300 -0.071 0.000 1.002 444 R CA 0.000 56.053 56.100 -0.080 0.000 1.106 444 R CB 1.309 31.550 30.300 -0.098 0.000 1.280 444 R HN 0.572 nan 8.270 nan 0.000 0.549 445 V N 2.396 122.253 119.914 -0.096 0.000 2.383 445 V HA 0.217 4.337 4.120 0.001 0.000 0.275 445 V C -0.304 175.643 176.094 -0.244 0.000 1.036 445 V CA -0.674 61.512 62.300 -0.189 0.000 0.889 445 V CB 1.534 33.197 31.823 -0.266 0.000 0.985 445 V HN 0.066 nan 8.190 nan 0.000 0.459 446 L N 5.892 126.967 121.223 -0.246 0.000 2.301 446 L HA 0.520 4.861 4.340 0.001 0.000 0.278 446 L C -0.223 176.519 176.870 -0.213 0.000 1.022 446 L CA -0.031 54.707 54.840 -0.171 0.000 0.854 446 L CB 0.526 42.535 42.059 -0.082 0.000 1.226 446 L HN 0.653 nan 8.230 nan 0.000 0.429 447 H N 5.472 124.553 119.070 0.018 0.000 2.580 447 H HA 0.467 5.024 4.556 0.001 0.000 0.322 447 H C 0.131 175.466 175.328 0.012 0.000 1.082 447 H CA -0.040 56.019 56.048 0.018 0.000 1.383 447 H CB 1.026 30.804 29.762 0.027 0.000 1.450 447 H HN 0.551 nan 8.280 nan 0.000 0.505 448 L N 2.239 123.527 121.223 0.108 0.000 3.524 448 L HA 0.350 4.690 4.340 0.001 0.000 0.337 448 L C 0.300 177.188 176.870 0.029 0.000 1.330 448 L CA -0.334 54.536 54.840 0.051 0.000 0.966 448 L CB 0.445 42.505 42.059 0.003 0.000 1.395 448 L HN 0.589 nan 8.230 nan 0.000 0.616 449 A N -0.832 122.018 122.820 0.050 0.000 2.386 449 A HA 0.396 4.716 4.320 0.001 0.000 0.248 449 A C 0.385 177.978 177.584 0.015 0.000 1.082 449 A CA 0.121 52.134 52.037 -0.040 0.000 0.789 449 A CB -0.085 18.898 19.000 -0.029 0.000 1.025 449 A HN 0.548 nan 8.150 nan 0.000 0.490 450 H N 0.711 119.830 119.070 0.081 0.000 2.680 450 H HA -0.091 4.466 4.556 0.001 0.000 0.328 450 H C -0.139 175.193 175.328 0.007 0.000 1.139 450 H CA 1.133 57.198 56.048 0.029 0.000 1.124 450 H CB -0.828 28.924 29.762 -0.017 0.000 1.584 450 H HN 0.711 nan 8.280 nan 0.000 0.410 451 K N 0.317 120.757 120.400 0.067 0.000 2.554 451 K HA 0.032 4.352 4.320 0.001 0.000 0.211 451 K C 0.535 177.127 176.600 -0.014 0.000 1.226 451 K CA 0.360 56.661 56.287 0.024 0.000 1.025 451 K CB 0.819 33.321 32.500 0.004 0.000 1.021 451 K HN 0.371 nan 8.250 nan 0.000 0.600 452 D N 1.518 121.916 120.400 -0.004 0.000 2.751 452 D HA -0.193 4.447 4.640 0.001 0.000 0.233 452 D C -0.661 175.596 176.300 -0.072 0.000 1.149 452 D CA 0.362 54.344 54.000 -0.031 0.000 0.682 452 D CB -1.251 39.528 40.800 -0.035 0.000 1.068 452 D HN 0.224 nan 8.370 nan 0.000 0.429 453 L N -0.023 121.155 121.223 -0.074 0.000 2.490 453 L HA 0.180 4.521 4.340 0.001 0.000 0.274 453 L C 2.073 178.878 176.870 -0.108 0.000 1.201 453 L CA 0.961 55.738 54.840 -0.104 0.000 0.869 453 L CB 0.670 42.673 42.059 -0.093 0.000 1.123 453 L HN 0.324 nan 8.230 nan 0.000 0.484 454 T N -0.851 113.622 114.554 -0.134 0.000 3.003 454 T HA 0.309 4.659 4.350 0.001 0.000 0.261 454 T C 0.125 174.751 174.700 -0.124 0.000 1.003 454 T CA -0.246 61.780 62.100 -0.123 0.000 0.917 454 T CB 0.556 69.342 68.868 -0.136 0.000 1.084 454 T HN 0.320 nan 8.240 nan 0.000 0.522 455 V N 0.257 120.087 119.914 -0.140 0.000 3.264 455 V HA 0.550 4.670 4.120 0.001 0.000 0.294 455 V C -2.028 173.978 176.094 -0.147 0.000 1.429 455 V CA -1.358 60.860 62.300 -0.138 0.000 1.053 455 V CB 2.331 34.062 31.823 -0.153 0.000 1.128 455 V HN 0.393 nan 8.190 nan 0.000 0.452 456 L N 2.545 123.684 121.223 -0.139 0.000 2.346 456 L HA 0.817 5.157 4.340 0.001 0.000 0.274 456 L C -0.892 175.870 176.870 -0.180 0.000 1.007 456 L CA -0.418 54.337 54.840 -0.142 0.000 0.818 456 L CB 1.889 43.882 42.059 -0.111 0.000 1.284 456 L HN 0.658 nan 8.230 nan 0.000 0.424 457 C N -0.270 118.897 119.300 -0.222 0.000 3.080 457 C HA 0.464 4.925 4.460 0.001 0.000 0.307 457 C C 0.137 174.960 174.990 -0.279 0.000 1.311 457 C CA -0.601 58.200 59.018 -0.362 0.000 1.533 457 C CB 1.436 28.797 27.740 -0.631 0.000 1.970 457 C HN 0.998 nan 8.230 nan 0.000 0.467 458 H N -0.198 118.853 119.070 -0.031 0.000 2.776 458 H HA -0.139 4.418 4.556 0.001 0.000 0.300 458 H C 1.032 176.331 175.328 -0.048 0.000 1.161 458 H CA 0.901 56.951 56.048 0.004 0.000 1.147 458 H CB -1.699 28.140 29.762 0.129 0.000 1.366 458 H HN 0.664 nan 8.280 nan 0.000 0.397 459 L N 0.615 121.815 121.223 -0.038 0.000 2.189 459 L HA -0.196 4.145 4.340 0.001 0.000 0.214 459 L C 2.561 179.382 176.870 -0.083 0.000 1.097 459 L CA 2.112 56.911 54.840 -0.067 0.000 0.764 459 L CB -0.286 41.710 42.059 -0.104 0.000 0.900 459 L HN 0.385 nan 8.230 nan 0.000 0.436 460 E N 0.054 120.167 120.200 -0.146 0.000 2.515 460 E HA -0.251 4.099 4.350 0.001 0.000 0.201 460 E C 1.630 178.209 176.600 -0.035 0.000 1.071 460 E CA 0.859 57.181 56.400 -0.129 0.000 0.880 460 E CB 0.002 29.551 29.700 -0.251 0.000 0.828 460 E HN 0.433 nan 8.360 nan 0.000 0.540 461 Q N -0.186 119.618 119.800 0.006 0.000 2.396 461 Q HA 0.157 4.498 4.340 0.001 0.000 0.209 461 Q C 1.330 177.320 176.000 -0.017 0.000 0.906 461 Q CA 0.173 55.989 55.803 0.022 0.000 0.927 461 Q CB 0.239 29.042 28.738 0.108 0.000 1.069 461 Q HN 0.174 nan 8.270 nan 0.000 0.523 462 L N 0.184 121.386 121.223 -0.035 0.000 2.554 462 L HA 0.060 4.401 4.340 0.001 0.000 0.226 462 L C 1.652 178.446 176.870 -0.128 0.000 1.137 462 L CA 0.617 55.414 54.840 -0.073 0.000 0.863 462 L CB -1.011 41.010 42.059 -0.064 0.000 0.985 462 L HN 0.289 nan 8.230 nan 0.000 0.451 463 L N -0.610 120.534 121.223 -0.132 0.000 2.113 463 L HA -0.305 4.036 4.340 0.001 0.000 0.221 463 L C 2.078 178.774 176.870 -0.290 0.000 1.084 463 L CA 1.861 56.593 54.840 -0.181 0.000 0.787 463 L CB -0.104 41.867 42.059 -0.147 0.000 0.893 463 L HN 0.270 nan 8.230 nan 0.000 0.440 464 L N -1.088 119.934 121.223 -0.334 0.000 2.492 464 L HA 0.044 4.385 4.340 0.001 0.000 0.223 464 L C 0.654 177.311 176.870 -0.355 0.000 1.132 464 L CA -0.507 54.044 54.840 -0.481 0.000 0.850 464 L CB -0.090 41.560 42.059 -0.682 0.000 0.966 464 L HN -0.041 nan 8.230 nan 0.000 0.454 465 V N 1.053 120.825 119.914 -0.236 0.000 2.557 465 V HA -0.102 4.019 4.120 0.001 0.000 0.301 465 V C 1.658 177.669 176.094 -0.139 0.000 1.026 465 V CA 1.080 63.284 62.300 -0.160 0.000 1.137 465 V CB 0.898 32.649 31.823 -0.119 0.000 0.917 465 V HN 0.469 nan 8.190 nan 0.000 0.484 466 T N 1.275 115.791 114.554 -0.063 0.000 3.039 466 T HA 0.102 4.452 4.350 0.001 0.000 0.250 466 T C 0.459 175.104 174.700 -0.091 0.000 1.052 466 T CA 0.305 62.389 62.100 -0.027 0.000 1.125 466 T CB 0.032 68.983 68.868 0.138 0.000 0.908 466 T HN 0.666 nan 8.240 nan 0.000 0.473 467 H N 0.299 119.299 119.070 -0.116 0.000 2.609 467 H HA 0.730 5.286 4.556 0.001 0.000 0.344 467 H C -1.473 173.766 175.328 -0.147 0.000 1.040 467 H CA -1.109 54.870 56.048 -0.115 0.000 1.216 467 H CB 1.717 31.414 29.762 -0.108 0.000 1.529 467 H HN 0.165 nan 8.280 nan 0.000 0.519 468 L N 2.876 124.074 121.223 -0.041 0.000 2.372 468 L HA 0.407 4.748 4.340 0.001 0.000 0.274 468 L C -1.086 175.752 176.870 -0.055 0.000 0.988 468 L CA -0.519 54.278 54.840 -0.070 0.000 0.833 468 L CB 1.410 43.422 42.059 -0.079 0.000 1.236 468 L HN 0.581 nan 8.230 nan 0.000 0.410 469 D N 5.087 125.457 120.400 -0.050 0.000 2.392 469 D HA 0.368 5.009 4.640 0.001 0.000 0.228 469 D C -0.291 175.996 176.300 -0.022 0.000 1.074 469 D CA -0.018 53.976 54.000 -0.010 0.000 0.838 469 D CB 0.959 41.800 40.800 0.069 0.000 1.067 469 D HN 0.640 nan 8.370 nan 0.000 0.511 470 L N 2.742 123.934 121.223 -0.052 0.000 3.288 470 L HA 0.192 4.533 4.340 0.001 0.000 0.293 470 L C 0.511 177.319 176.870 -0.104 0.000 1.294 470 L CA -0.450 54.350 54.840 -0.068 0.000 1.006 470 L CB 0.332 42.347 42.059 -0.074 0.000 1.407 470 L HN 0.235 nan 8.230 nan 0.000 0.592 471 S N -1.310 114.314 115.700 -0.127 0.000 2.601 471 S HA 0.314 4.785 4.470 0.001 0.000 0.271 471 S C 0.291 174.737 174.600 -0.257 0.000 1.305 471 S CA -0.300 57.752 58.200 -0.247 0.000 1.022 471 S CB 0.466 63.489 63.200 -0.295 0.000 0.940 471 S HN 0.438 nan 8.310 nan 0.000 0.525 472 H N 0.895 119.847 119.070 -0.197 0.000 2.969 472 H HA -0.094 4.463 4.556 0.001 0.000 0.347 472 H C -0.430 174.805 175.328 -0.156 0.000 1.235 472 H CA 0.630 56.549 56.048 -0.215 0.000 1.179 472 H CB -1.956 27.502 29.762 -0.506 0.000 1.578 472 H HN 0.758 nan 8.280 nan 0.000 0.431 473 N N 0.017 118.697 118.700 -0.033 0.000 3.439 473 N HA 0.327 5.068 4.740 0.001 0.000 0.313 473 N C 0.573 176.057 175.510 -0.042 0.000 1.598 473 N CA -0.754 52.274 53.050 -0.036 0.000 0.830 473 N CB 0.989 39.440 38.487 -0.061 0.000 1.849 473 N HN 0.207 nan 8.380 nan 0.000 0.598 474 R N 0.344 120.812 120.500 -0.054 0.000 2.662 474 R HA 0.428 4.769 4.340 0.001 0.000 0.396 474 R C -0.360 175.901 176.300 -0.066 0.000 1.096 474 R CA -0.236 55.831 56.100 -0.055 0.000 1.081 474 R CB 0.083 30.351 30.300 -0.054 0.000 1.382 474 R HN 0.332 nan 8.270 nan 0.000 0.580 475 L N 1.190 122.369 121.223 -0.072 0.000 2.540 475 L HA 0.057 4.398 4.340 0.001 0.000 0.276 475 L C 1.190 178.020 176.870 -0.066 0.000 1.212 475 L CA 0.557 55.352 54.840 -0.075 0.000 0.893 475 L CB 0.430 42.442 42.059 -0.079 0.000 1.138 475 L HN 0.146 nan 8.230 nan 0.000 0.491 476 R N 2.368 122.830 120.500 -0.062 0.000 2.362 476 R HA 0.457 4.798 4.340 0.001 0.000 0.227 476 R C -0.193 176.076 176.300 -0.052 0.000 0.905 476 R CA 0.061 56.129 56.100 -0.054 0.000 1.067 476 R CB 0.575 30.846 30.300 -0.049 0.000 1.078 476 R HN 0.753 nan 8.270 nan 0.000 0.516 477 A N 0.513 123.298 122.820 -0.058 0.000 2.585 477 A HA 0.310 4.631 4.320 0.001 0.000 0.299 477 A C -1.578 175.969 177.584 -0.062 0.000 1.047 477 A CA -0.829 51.175 52.037 -0.056 0.000 0.723 477 A CB 0.718 19.688 19.000 -0.050 0.000 1.275 477 A HN 0.082 nan 8.150 nan 0.000 0.408 478 L N 3.463 124.650 121.223 -0.060 0.000 2.290 478 L HA 0.468 4.809 4.340 0.001 0.000 0.284 478 L C -1.857 174.978 176.870 -0.058 0.000 1.078 478 L CA -1.663 53.139 54.840 -0.063 0.000 0.815 478 L CB 1.364 43.386 42.059 -0.063 0.000 1.162 478 L HN 0.550 nan 8.230 nan 0.000 0.435 479 P HA 0.254 nan 4.420 nan 0.000 0.279 479 P C -2.444 174.824 177.300 -0.054 0.000 1.252 479 P CA -1.881 61.186 63.100 -0.056 0.000 0.811 479 P CB 1.012 32.675 31.700 -0.062 0.000 1.035 480 P HA -0.140 nan 4.420 nan 0.000 0.218 480 P C 1.415 178.686 177.300 -0.049 0.000 1.148 480 P CA 1.842 64.915 63.100 -0.045 0.000 0.822 480 P CB -0.487 31.192 31.700 -0.036 0.000 0.784 481 A N -0.902 121.888 122.820 -0.050 0.000 2.234 481 A HA -0.151 4.170 4.320 0.001 0.000 0.216 481 A C 1.907 179.445 177.584 -0.076 0.000 1.167 481 A CA 0.902 52.903 52.037 -0.060 0.000 0.698 481 A CB -1.495 17.462 19.000 -0.072 0.000 0.779 481 A HN 0.150 nan 8.150 nan 0.000 0.475 482 L N -0.857 120.322 121.223 -0.072 0.000 2.465 482 L HA 0.074 4.414 4.340 0.001 0.000 0.224 482 L C 2.479 179.304 176.870 -0.075 0.000 1.145 482 L CA 1.291 56.086 54.840 -0.076 0.000 0.834 482 L CB -0.621 41.395 42.059 -0.072 0.000 0.944 482 L HN 0.356 nan 8.230 nan 0.000 0.451 483 A N -0.638 122.140 122.820 -0.069 0.000 2.131 483 A HA -0.093 4.228 4.320 0.001 0.000 0.220 483 A C 2.364 179.905 177.584 -0.070 0.000 1.158 483 A CA 1.324 53.320 52.037 -0.069 0.000 0.665 483 A CB -0.749 18.210 19.000 -0.069 0.000 0.795 483 A HN 0.480 nan 8.150 nan 0.000 0.460 484 A N -0.937 121.840 122.820 -0.072 0.000 2.119 484 A HA 0.244 4.565 4.320 0.001 0.000 0.217 484 A C 0.865 178.397 177.584 -0.087 0.000 1.153 484 A CA 0.377 52.373 52.037 -0.068 0.000 0.692 484 A CB -0.341 18.617 19.000 -0.071 0.000 0.799 484 A HN 0.351 nan 8.150 nan 0.000 0.458 485 L N 1.592 122.758 121.223 -0.095 0.000 2.384 485 L HA 0.145 4.486 4.340 0.001 0.000 0.258 485 L C 1.167 177.964 176.870 -0.123 0.000 1.266 485 L CA 0.015 54.786 54.840 -0.115 0.000 1.162 485 L CB 0.033 42.027 42.059 -0.108 0.000 1.375 485 L HN 0.181 nan 8.230 nan 0.000 0.420 486 R N -0.050 120.367 120.500 -0.139 0.000 2.316 486 R HA 0.024 4.365 4.340 0.001 0.000 0.202 486 R C 0.930 177.127 176.300 -0.173 0.000 1.029 486 R CA 0.410 56.431 56.100 -0.132 0.000 1.018 486 R CB -0.653 29.578 30.300 -0.116 0.000 0.888 486 R HN 0.522 nan 8.270 nan 0.000 0.471 487 C N 0.148 119.318 119.300 -0.217 0.000 3.336 487 C HA 0.288 4.749 4.460 0.001 0.000 0.291 487 C C 0.607 175.501 174.990 -0.160 0.000 1.363 487 C CA -1.012 57.881 59.018 -0.208 0.000 1.737 487 C CB -0.663 26.894 27.740 -0.305 0.000 2.274 487 C HN 0.224 nan 8.230 nan 0.000 0.663 488 L N 2.551 123.683 121.223 -0.152 0.000 2.654 488 L HA 0.063 4.403 4.340 0.001 0.000 0.271 488 L C 0.993 177.763 176.870 -0.166 0.000 1.169 488 L CA 1.167 55.914 54.840 -0.154 0.000 0.947 488 L CB -0.135 41.845 42.059 -0.132 0.000 1.232 488 L HN 0.321 nan 8.230 nan 0.000 0.486 489 E N 2.806 122.861 120.200 -0.240 0.000 2.132 489 E HA 0.134 4.485 4.350 0.001 0.000 0.193 489 E C -0.409 176.029 176.600 -0.270 0.000 0.951 489 E CA 0.375 56.622 56.400 -0.256 0.000 0.843 489 E CB 0.502 30.007 29.700 -0.325 0.000 0.807 489 E HN 0.468 nan 8.360 nan 0.000 0.467 490 V N 1.832 121.522 119.914 -0.373 0.000 2.604 490 V HA 0.343 4.463 4.120 0.001 0.000 0.305 490 V C -0.749 175.250 176.094 -0.159 0.000 1.043 490 V CA -0.673 61.483 62.300 -0.240 0.000 0.888 490 V CB 2.249 33.936 31.823 -0.227 0.000 0.995 490 V HN 0.135 nan 8.190 nan 0.000 0.429 491 L N 3.951 125.111 121.223 -0.105 0.000 2.401 491 L HA 0.470 4.811 4.340 0.001 0.000 0.263 491 L C -0.409 176.421 176.870 -0.067 0.000 1.004 491 L CA -0.281 54.508 54.840 -0.084 0.000 0.881 491 L CB 1.350 43.358 42.059 -0.085 0.000 1.219 491 L HN 0.647 nan 8.230 nan 0.000 0.441 492 Q N 3.386 123.154 119.800 -0.054 0.000 2.389 492 Q HA 0.326 4.667 4.340 0.001 0.000 0.244 492 Q C -0.002 175.953 176.000 -0.075 0.000 1.056 492 Q CA 0.009 55.781 55.803 -0.052 0.000 0.908 492 Q CB 1.568 30.293 28.738 -0.022 0.000 1.273 492 Q HN 0.734 nan 8.270 nan 0.000 0.471 493 A N 2.990 125.756 122.820 -0.090 0.000 2.643 493 A HA 0.288 4.609 4.320 0.001 0.000 0.295 493 A C 0.224 177.727 177.584 -0.135 0.000 1.065 493 A CA -0.383 51.590 52.037 -0.107 0.000 0.986 493 A CB 0.567 19.513 19.000 -0.089 0.000 1.212 493 A HN 0.489 nan 8.150 nan 0.000 0.516 494 S N 0.741 116.342 115.700 -0.166 0.000 2.593 494 S HA 0.366 4.836 4.470 0.001 0.000 0.269 494 S C -0.296 174.123 174.600 -0.302 0.000 1.334 494 S CA 0.040 58.122 58.200 -0.197 0.000 1.015 494 S CB 0.160 63.249 63.200 -0.184 0.000 0.912 494 S HN 0.616 nan 8.310 nan 0.000 0.541 495 D N 1.361 121.617 120.400 -0.241 0.000 3.357 495 D HA -0.122 4.519 4.640 0.001 0.000 0.238 495 D C -0.319 175.877 176.300 -0.173 0.000 1.126 495 D CA 0.652 54.517 54.000 -0.225 0.000 0.984 495 D CB -1.036 39.522 40.800 -0.404 0.000 0.925 495 D HN 0.378 nan 8.370 nan 0.000 0.414 496 N N -0.573 118.061 118.700 -0.110 0.000 3.344 496 N HA 0.690 5.431 4.740 0.001 0.000 0.296 496 N C -0.460 175.012 175.510 -0.062 0.000 1.571 496 N CA -0.243 52.756 53.050 -0.085 0.000 0.844 496 N CB 1.103 39.534 38.487 -0.094 0.000 1.718 496 N HN 0.142 nan 8.380 nan 0.000 0.589 497 A N 0.543 123.330 122.820 -0.055 0.000 2.574 497 A HA 0.372 4.692 4.320 0.001 0.000 0.283 497 A C 0.154 177.710 177.584 -0.047 0.000 1.270 497 A CA -0.292 51.718 52.037 -0.046 0.000 0.945 497 A CB -0.542 18.433 19.000 -0.041 0.000 1.127 497 A HN 0.454 nan 8.150 nan 0.000 0.522 498 L N 0.934 122.124 121.223 -0.054 0.000 2.700 498 L HA -0.070 4.271 4.340 0.001 0.000 0.276 498 L C 1.009 177.852 176.870 -0.044 0.000 1.200 498 L CA 0.454 55.263 54.840 -0.052 0.000 0.951 498 L CB 0.139 42.164 42.059 -0.058 0.000 1.226 498 L HN 0.513 nan 8.230 nan 0.000 0.489 499 E N 1.689 121.865 120.200 -0.041 0.000 2.465 499 E HA 0.106 4.457 4.350 0.001 0.000 0.209 499 E C 0.182 176.761 176.600 -0.035 0.000 0.951 499 E CA -0.065 56.314 56.400 -0.035 0.000 0.997 499 E CB 0.662 30.342 29.700 -0.032 0.000 1.025 499 E HN 0.564 nan 8.360 nan 0.000 0.500 500 N N 0.614 119.291 118.700 -0.038 0.000 2.310 500 N HA 0.134 4.875 4.740 0.001 0.000 0.292 500 N C -0.468 175.017 175.510 -0.042 0.000 1.049 500 N CA -0.196 52.831 53.050 -0.037 0.000 0.849 500 N CB 2.549 41.014 38.487 -0.036 0.000 1.532 500 N HN -0.109 nan 8.380 nan 0.000 0.479 501 V N -0.167 119.723 119.914 -0.041 0.000 2.991 501 V HA 0.338 4.459 4.120 0.001 0.000 0.355 501 V C 0.534 176.602 176.094 -0.043 0.000 1.384 501 V CA -0.342 61.931 62.300 -0.045 0.000 1.171 501 V CB 0.416 32.212 31.823 -0.045 0.000 1.190 501 V HN 0.394 nan 8.190 nan 0.000 0.540 502 D N 3.207 123.583 120.400 -0.040 0.000 2.190 502 D HA -0.104 4.536 4.640 0.001 0.000 0.200 502 D C 2.187 178.462 176.300 -0.042 0.000 0.992 502 D CA 2.080 56.057 54.000 -0.038 0.000 0.854 502 D CB -0.226 40.554 40.800 -0.034 0.000 0.936 502 D HN 0.608 nan 8.370 nan 0.000 0.462 503 G N 0.009 108.781 108.800 -0.046 0.000 2.776 503 G HA2 -0.044 3.916 3.960 0.001 0.000 0.209 503 G HA3 -0.044 3.916 3.960 0.001 0.000 0.209 503 G C 1.478 176.345 174.900 -0.054 0.000 1.145 503 G CA 0.047 45.117 45.100 -0.051 0.000 0.791 503 G HN 0.226 nan 8.290 nan 0.000 0.530 504 V N 0.697 120.581 119.914 -0.052 0.000 2.951 504 V HA 0.226 4.347 4.120 0.001 0.000 0.255 504 V C 2.046 178.110 176.094 -0.050 0.000 1.088 504 V CA 0.391 62.659 62.300 -0.054 0.000 1.109 504 V CB -0.523 31.269 31.823 -0.052 0.000 0.724 504 V HN 0.468 nan 8.190 nan 0.000 0.471 505 A N 1.160 123.953 122.820 -0.045 0.000 2.561 505 A HA 0.117 4.438 4.320 0.001 0.000 0.234 505 A C 1.007 178.564 177.584 -0.045 0.000 1.055 505 A CA 0.388 52.400 52.037 -0.042 0.000 0.756 505 A CB -0.352 18.625 19.000 -0.038 0.000 0.986 505 A HN 0.699 nan 8.150 nan 0.000 0.505 506 N N -0.625 118.051 118.700 -0.040 0.000 2.756 506 N HA -0.141 4.600 4.740 0.001 0.000 0.248 506 N C -1.052 174.431 175.510 -0.045 0.000 1.062 506 N CA 0.954 53.979 53.050 -0.040 0.000 0.696 506 N CB -1.334 37.127 38.487 -0.044 0.000 0.946 506 N HN 0.636 nan 8.380 nan 0.000 0.548 507 L N 1.458 122.653 121.223 -0.046 0.000 2.277 507 L HA 0.251 4.591 4.340 0.001 0.000 0.284 507 L C -0.682 176.160 176.870 -0.046 0.000 1.028 507 L CA -1.626 53.182 54.840 -0.053 0.000 0.835 507 L CB 1.549 43.571 42.059 -0.063 0.000 1.215 507 L HN -0.110 nan 8.230 nan 0.000 0.425 508 P HA -0.206 nan 4.420 nan 0.000 0.216 508 P C 0.799 178.081 177.300 -0.030 0.000 1.154 508 P CA 1.505 64.589 63.100 -0.027 0.000 0.865 508 P CB 0.269 31.961 31.700 -0.014 0.000 0.789 509 R N -1.515 118.958 120.500 -0.045 0.000 2.397 509 R HA 0.211 4.552 4.340 0.001 0.000 0.241 509 R C 0.634 176.893 176.300 -0.068 0.000 0.914 509 R CA -0.694 55.377 56.100 -0.050 0.000 1.071 509 R CB -0.222 30.046 30.300 -0.054 0.000 1.116 509 R HN 0.163 nan 8.270 nan 0.000 0.524 510 L N 2.260 123.439 121.223 -0.072 0.000 2.615 510 L HA -0.066 4.275 4.340 0.001 0.000 0.271 510 L C 0.754 177.583 176.870 -0.069 0.000 1.183 510 L CA 1.048 55.839 54.840 -0.081 0.000 0.933 510 L CB 0.644 42.659 42.059 -0.074 0.000 1.199 510 L HN 0.084 nan 8.230 nan 0.000 0.487 511 Q N 2.648 122.401 119.800 -0.078 0.000 2.422 511 Q HA 0.275 4.616 4.340 0.001 0.000 0.255 511 Q C -0.435 175.531 176.000 -0.056 0.000 0.864 511 Q CA 0.292 56.059 55.803 -0.060 0.000 0.968 511 Q CB 0.698 29.402 28.738 -0.057 0.000 1.130 511 Q HN 0.685 nan 8.270 nan 0.000 0.556 512 E N 1.033 121.191 120.200 -0.070 0.000 2.216 512 E HA 0.355 4.706 4.350 0.001 0.000 0.260 512 E C -1.756 174.807 176.600 -0.062 0.000 0.880 512 E CA -0.562 55.803 56.400 -0.057 0.000 0.765 512 E CB 2.160 31.830 29.700 -0.051 0.000 1.174 512 E HN -0.105 nan 8.360 nan 0.000 0.417 513 L N 5.071 126.263 121.223 -0.052 0.000 2.353 513 L HA 0.377 4.718 4.340 0.001 0.000 0.270 513 L C -1.648 175.193 176.870 -0.049 0.000 1.003 513 L CA -0.448 54.360 54.840 -0.054 0.000 0.862 513 L CB 0.683 42.710 42.059 -0.053 0.000 1.221 513 L HN 0.515 nan 8.230 nan 0.000 0.430 514 L N 6.385 127.577 121.223 -0.051 0.000 2.265 514 L HA 0.408 4.748 4.340 0.001 0.000 0.288 514 L C 0.053 176.885 176.870 -0.063 0.000 1.058 514 L CA -0.179 54.631 54.840 -0.051 0.000 0.809 514 L CB 0.893 42.925 42.059 -0.046 0.000 1.179 514 L HN 0.607 nan 8.230 nan 0.000 0.429 515 L N 2.959 124.147 121.223 -0.059 0.000 3.320 515 L HA 0.257 4.597 4.340 0.001 0.000 0.331 515 L C -0.243 176.590 176.870 -0.063 0.000 1.306 515 L CA -0.364 54.436 54.840 -0.066 0.000 0.892 515 L CB 0.759 42.783 42.059 -0.057 0.000 1.337 515 L HN 0.633 nan 8.230 nan 0.000 0.604 516 C N 0.689 119.951 119.300 -0.065 0.000 2.703 516 C HA 0.098 4.559 4.460 0.001 0.000 0.411 516 C C 0.915 175.866 174.990 -0.064 0.000 1.290 516 C CA -0.692 58.293 59.018 -0.055 0.000 2.054 516 C CB -0.349 27.362 27.740 -0.048 0.000 2.732 516 C HN 0.731 nan 8.230 nan 0.000 0.650 517 N N 3.186 121.858 118.700 -0.046 0.000 2.584 517 N HA -0.167 4.574 4.740 0.001 0.000 0.291 517 N C -0.542 174.936 175.510 -0.053 0.000 1.203 517 N CA 0.826 53.850 53.050 -0.043 0.000 0.735 517 N CB -0.794 37.670 38.487 -0.038 0.000 0.936 517 N HN 0.796 nan 8.380 nan 0.000 0.549 518 N N 0.571 119.244 118.700 -0.046 0.000 3.600 518 N HA 0.365 5.105 4.740 0.001 0.000 0.348 518 N C 0.047 175.535 175.510 -0.037 0.000 1.649 518 N CA -0.560 52.461 53.050 -0.048 0.000 0.710 518 N CB 0.967 39.421 38.487 -0.055 0.000 2.380 518 N HN 0.163 nan 8.380 nan 0.000 0.631 519 R N 0.875 121.353 120.500 -0.037 0.000 2.662 519 R HA 0.385 4.726 4.340 0.001 0.000 0.396 519 R C -0.490 175.792 176.300 -0.030 0.000 1.096 519 R CA -0.188 55.893 56.100 -0.031 0.000 1.081 519 R CB -0.230 30.052 30.300 -0.030 0.000 1.382 519 R HN 0.399 nan 8.270 nan 0.000 0.580 520 L N 2.328 123.532 121.223 -0.031 0.000 2.565 520 L HA 0.024 4.364 4.340 0.001 0.000 0.275 520 L C 1.469 178.325 176.870 -0.025 0.000 1.137 520 L CA -0.016 54.806 54.840 -0.029 0.000 0.915 520 L CB 0.456 42.496 42.059 -0.031 0.000 1.232 520 L HN -0.077 nan 8.230 nan 0.000 0.473 521 Q N 1.964 121.751 119.800 -0.023 0.000 1.961 521 Q HA 0.025 4.366 4.340 0.001 0.000 0.197 521 Q C 0.505 176.494 176.000 -0.018 0.000 0.977 521 Q CA 1.107 56.899 55.803 -0.019 0.000 0.830 521 Q CB 0.094 28.821 28.738 -0.018 0.000 0.896 521 Q HN 0.603 nan 8.270 nan 0.000 0.437 522 Q N 0.460 120.250 119.800 -0.018 0.000 2.221 522 Q HA 0.222 4.563 4.340 0.001 0.000 0.242 522 Q C 1.165 177.154 176.000 -0.018 0.000 0.940 522 Q CA 0.064 55.857 55.803 -0.016 0.000 0.896 522 Q CB 1.031 29.760 28.738 -0.015 0.000 1.226 522 Q HN 0.275 nan 8.270 nan 0.000 0.463 523 S N -0.556 115.134 115.700 -0.016 0.000 2.515 523 S HA -0.029 4.441 4.470 0.001 0.000 0.231 523 S C 1.594 176.184 174.600 -0.017 0.000 0.987 523 S CA 0.573 58.762 58.200 -0.017 0.000 0.936 523 S CB -0.123 63.068 63.200 -0.015 0.000 0.766 523 S HN 0.629 nan 8.310 nan 0.000 0.528 524 A N 1.506 124.316 122.820 -0.017 0.000 2.067 524 A HA 0.447 4.767 4.320 0.001 0.000 0.219 524 A C 2.293 179.866 177.584 -0.019 0.000 1.158 524 A CA 1.096 53.123 52.037 -0.017 0.000 0.661 524 A CB -1.062 17.929 19.000 -0.015 0.000 0.801 524 A HN 0.826 nan 8.150 nan 0.000 0.452 525 A N -0.632 122.176 122.820 -0.021 0.000 2.209 525 A HA 0.138 4.459 4.320 0.001 0.000 0.212 525 A C 1.492 179.060 177.584 -0.026 0.000 1.158 525 A CA 0.988 53.011 52.037 -0.024 0.000 0.742 525 A CB -0.287 18.698 19.000 -0.025 0.000 0.790 525 A HN 0.394 nan 8.150 nan 0.000 0.472 526 I N -0.982 119.574 120.570 -0.024 0.000 3.968 526 I HA -0.005 4.166 4.170 0.001 0.000 0.328 526 I C 2.086 178.188 176.117 -0.024 0.000 1.290 526 I CA 0.595 61.880 61.300 -0.026 0.000 1.163 526 I CB -0.744 37.242 38.000 -0.024 0.000 1.024 526 I HN 0.346 nan 8.210 nan 0.000 0.413 527 Q N 2.916 122.703 119.800 -0.022 0.000 2.082 527 Q HA -0.183 4.158 4.340 0.001 0.000 0.211 527 Q C -0.802 175.185 176.000 -0.022 0.000 1.002 527 Q CA 2.561 58.352 55.803 -0.020 0.000 0.868 527 Q CB -1.555 27.172 28.738 -0.018 0.000 0.931 527 Q HN 0.220 nan 8.270 nan 0.000 0.414 528 P HA -0.135 nan 4.420 nan 0.000 0.218 528 P C 0.734 178.017 177.300 -0.029 0.000 1.146 528 P CA 0.964 64.048 63.100 -0.027 0.000 0.813 528 P CB -0.082 31.600 31.700 -0.030 0.000 0.778 529 L N -1.333 119.873 121.223 -0.029 0.000 2.362 529 L HA -0.078 4.263 4.340 0.001 0.000 0.219 529 L C 2.192 179.046 176.870 -0.027 0.000 1.134 529 L CA 1.206 56.028 54.840 -0.030 0.000 0.807 529 L CB -1.275 40.766 42.059 -0.031 0.000 0.927 529 L HN -0.084 nan 8.230 nan 0.000 0.447 530 V N -1.487 118.413 119.914 -0.023 0.000 3.383 530 V HA -0.128 3.992 4.120 0.001 0.000 0.272 530 V C 1.685 177.767 176.094 -0.021 0.000 1.181 530 V CA 1.460 63.748 62.300 -0.020 0.000 1.171 530 V CB -0.377 31.436 31.823 -0.017 0.000 0.800 530 V HN 0.549 nan 8.190 nan 0.000 0.515 531 S N -1.308 114.378 115.700 -0.024 0.000 2.556 531 S HA 0.128 4.599 4.470 0.001 0.000 0.216 531 S C 0.773 175.357 174.600 -0.027 0.000 0.970 531 S CA 0.144 58.330 58.200 -0.024 0.000 0.912 531 S CB -0.099 63.085 63.200 -0.027 0.000 0.790 531 S HN 0.641 nan 8.310 nan 0.000 0.504 532 C N 5.082 124.365 119.300 -0.028 0.000 2.183 532 C HA 0.273 4.733 4.460 0.001 0.000 0.409 532 C C -0.596 174.378 174.990 -0.027 0.000 1.022 532 C CA -1.836 57.164 59.018 -0.031 0.000 1.367 532 C CB -0.501 27.217 27.740 -0.037 0.000 1.650 532 C HN 0.435 nan 8.230 nan 0.000 0.499 533 P HA -0.188 nan 4.420 nan 0.000 0.221 533 P C 0.941 178.230 177.300 -0.019 0.000 1.141 533 P CA 1.452 64.541 63.100 -0.018 0.000 0.794 533 P CB 0.197 31.888 31.700 -0.015 0.000 0.764 534 R N -1.428 119.058 120.500 -0.023 0.000 2.437 534 R HA 0.190 4.531 4.340 0.001 0.000 0.257 534 R C 0.431 176.714 176.300 -0.028 0.000 0.927 534 R CA -0.749 55.337 56.100 -0.024 0.000 1.078 534 R CB -0.015 30.270 30.300 -0.025 0.000 1.161 534 R HN 0.106 nan 8.270 nan 0.000 0.529 535 L N 2.144 123.349 121.223 -0.030 0.000 2.597 535 L HA -0.020 4.320 4.340 0.001 0.000 0.271 535 L C 0.957 177.811 176.870 -0.026 0.000 1.157 535 L CA 0.559 55.380 54.840 -0.032 0.000 0.928 535 L CB 1.032 43.071 42.059 -0.033 0.000 1.216 535 L HN -0.036 nan 8.230 nan 0.000 0.481 536 V N 3.233 123.132 119.914 -0.026 0.000 3.307 536 V HA 0.313 4.434 4.120 0.001 0.000 0.244 536 V C 0.267 176.349 176.094 -0.020 0.000 1.196 536 V CA -0.019 62.269 62.300 -0.020 0.000 1.132 536 V CB 0.120 31.933 31.823 -0.017 0.000 0.875 536 V HN 0.563 nan 8.190 nan 0.000 0.468 537 L N 1.428 122.636 121.223 -0.024 0.000 2.313 537 L HA 0.689 5.029 4.340 0.001 0.000 0.283 537 L C -0.948 175.906 176.870 -0.027 0.000 1.013 537 L CA -0.527 54.299 54.840 -0.022 0.000 0.816 537 L CB 1.577 43.623 42.059 -0.021 0.000 1.236 537 L HN 0.242 nan 8.230 nan 0.000 0.419 538 L N 5.706 126.914 121.223 -0.025 0.000 2.492 538 L HA 0.453 4.794 4.340 0.001 0.000 0.258 538 L C -0.999 175.855 176.870 -0.026 0.000 1.028 538 L CA -0.298 54.525 54.840 -0.028 0.000 0.900 538 L CB 0.976 43.019 42.059 -0.027 0.000 1.191 538 L HN 0.706 nan 8.230 nan 0.000 0.459 539 N N 4.191 122.875 118.700 -0.028 0.000 2.408 539 N HA 0.301 5.042 4.740 0.001 0.000 0.257 539 N C 0.116 175.607 175.510 -0.031 0.000 1.064 539 N CA -0.046 52.988 53.050 -0.026 0.000 0.952 539 N CB 1.424 39.896 38.487 -0.025 0.000 1.093 539 N HN 0.669 nan 8.380 nan 0.000 0.490 540 L N 2.117 123.323 121.223 -0.027 0.000 3.086 540 L HA 0.212 4.553 4.340 0.001 0.000 0.274 540 L C 0.355 177.209 176.870 -0.027 0.000 1.184 540 L CA -0.137 54.685 54.840 -0.030 0.000 1.002 540 L CB 0.273 42.315 42.059 -0.027 0.000 1.383 540 L HN 0.383 nan 8.230 nan 0.000 0.582 541 Q N 0.843 120.629 119.800 -0.023 0.000 2.269 541 Q HA 0.236 4.576 4.340 0.001 0.000 0.300 541 Q C 1.139 177.126 176.000 -0.022 0.000 1.070 541 Q CA 1.058 56.850 55.803 -0.019 0.000 0.957 541 Q CB 0.335 29.064 28.738 -0.015 0.000 1.131 541 Q HN 0.385 nan 8.270 nan 0.000 0.377 542 G N 2.645 111.434 108.800 -0.019 0.000 2.211 542 G HA2 -0.182 3.779 3.960 0.001 0.000 0.201 542 G HA3 -0.182 3.779 3.960 0.001 0.000 0.201 542 G C -0.124 174.763 174.900 -0.022 0.000 0.997 542 G CA -0.594 44.495 45.100 -0.020 0.000 0.652 542 G HN 0.589 nan 8.290 nan 0.000 0.500 543 N N 0.621 119.307 118.700 -0.023 0.000 2.456 543 N HA 0.429 5.170 4.740 0.001 0.000 0.296 543 N C 1.044 176.542 175.510 -0.020 0.000 1.102 543 N CA 0.111 53.147 53.050 -0.024 0.000 0.924 543 N CB 1.644 40.114 38.487 -0.027 0.000 1.186 543 N HN 0.013 nan 8.380 nan 0.000 0.492 544 S N 0.906 116.595 115.700 -0.019 0.000 2.402 544 S HA -0.180 4.291 4.470 0.001 0.000 0.233 544 S C 2.002 176.593 174.600 -0.015 0.000 1.030 544 S CA 1.164 59.354 58.200 -0.016 0.000 1.003 544 S CB -0.307 62.884 63.200 -0.016 0.000 0.813 544 S HN 0.589 nan 8.310 nan 0.000 0.477 545 L N 0.251 121.463 121.223 -0.017 0.000 2.189 545 L HA -0.060 4.280 4.340 0.001 0.000 0.214 545 L C 1.951 178.812 176.870 -0.015 0.000 1.097 545 L CA 1.219 56.050 54.840 -0.017 0.000 0.764 545 L CB -1.591 40.457 42.059 -0.019 0.000 0.900 545 L HN 0.210 nan 8.230 nan 0.000 0.436 546 C N -0.227 119.064 119.300 -0.015 0.000 2.449 546 C HA -0.030 4.431 4.460 0.001 0.000 0.283 546 C C 2.625 177.608 174.990 -0.012 0.000 1.453 546 C CA 0.533 59.543 59.018 -0.014 0.000 1.779 546 C CB -1.356 26.376 27.740 -0.014 0.000 1.779 546 C HN 0.659 nan 8.230 nan 0.000 0.546 547 Q N 0.841 120.634 119.800 -0.011 0.000 2.311 547 Q HA -0.015 4.326 4.340 0.001 0.000 0.203 547 Q C 0.561 176.556 176.000 -0.009 0.000 0.954 547 Q CA 0.478 56.275 55.803 -0.010 0.000 0.885 547 Q CB 0.078 28.810 28.738 -0.010 0.000 0.963 547 Q HN 0.755 nan 8.270 nan 0.000 0.471 548 E N 2.225 122.419 120.200 -0.010 0.000 2.418 548 E HA -0.039 4.312 4.350 0.001 0.000 0.261 548 E C -0.340 176.254 176.600 -0.009 0.000 1.070 548 E CA 0.103 56.497 56.400 -0.010 0.000 0.931 548 E CB 0.306 29.999 29.700 -0.010 0.000 0.954 548 E HN 0.213 nan 8.360 nan 0.000 0.439 549 E N 0.661 120.857 120.200 -0.008 0.000 2.259 549 E HA 0.350 4.701 4.350 0.001 0.000 0.281 549 E C 0.475 177.070 176.600 -0.007 0.000 1.027 549 E CA -0.411 55.985 56.400 -0.007 0.000 0.838 549 E CB 0.885 30.581 29.700 -0.007 0.000 1.066 549 E HN 0.732 nan 8.360 nan 0.000 0.401 550 G N 2.880 111.675 108.800 -0.007 0.000 2.147 550 G HA2 -0.310 3.651 3.960 0.001 0.000 0.244 550 G HA3 -0.310 3.651 3.960 0.001 0.000 0.244 550 G C 0.427 175.322 174.900 -0.008 0.000 1.005 550 G CA 0.276 45.371 45.100 -0.007 0.000 0.713 550 G HN 0.640 nan 8.290 nan 0.000 0.515 551 I N 0.268 120.833 120.570 -0.009 0.000 2.315 551 I HA -0.046 4.125 4.170 0.001 0.000 0.248 551 I C 2.513 178.624 176.117 -0.011 0.000 1.117 551 I CA 2.750 64.044 61.300 -0.010 0.000 1.404 551 I CB -0.148 37.845 38.000 -0.011 0.000 1.071 551 I HN 0.344 nan 8.210 nan 0.000 0.419 552 Q N 0.616 120.410 119.800 -0.010 0.000 2.170 552 Q HA -0.251 4.090 4.340 0.001 0.000 0.203 552 Q C 2.182 178.176 176.000 -0.009 0.000 0.976 552 Q CA 2.111 57.908 55.803 -0.010 0.000 0.858 552 Q CB -0.327 28.406 28.738 -0.009 0.000 0.907 552 Q HN 0.699 nan 8.270 nan 0.000 0.433 553 E N -0.437 119.758 120.200 -0.008 0.000 2.076 553 E HA -0.183 4.168 4.350 0.001 0.000 0.190 553 E C 2.075 178.670 176.600 -0.009 0.000 0.979 553 E CA 0.500 56.895 56.400 -0.008 0.000 0.807 553 E CB -0.162 29.534 29.700 -0.007 0.000 0.761 553 E HN 0.327 nan 8.360 nan 0.000 0.454 554 R N 0.600 121.095 120.500 -0.009 0.000 2.091 554 R HA -0.132 4.209 4.340 0.001 0.000 0.238 554 R C 2.453 178.746 176.300 -0.011 0.000 1.136 554 R CA 1.408 57.502 56.100 -0.010 0.000 0.959 554 R CB -0.250 30.044 30.300 -0.010 0.000 0.856 554 R HN 0.265 nan 8.270 nan 0.000 0.437 555 L N 0.119 121.335 121.223 -0.012 0.000 2.093 555 L HA -0.074 4.267 4.340 0.001 0.000 0.208 555 L C 2.699 179.562 176.870 -0.012 0.000 1.085 555 L CA 1.135 55.968 54.840 -0.013 0.000 0.755 555 L CB -0.576 41.474 42.059 -0.014 0.000 0.904 555 L HN 0.346 nan 8.230 nan 0.000 0.435 556 A N 0.021 122.835 122.820 -0.011 0.000 1.969 556 A HA -0.236 4.085 4.320 0.001 0.000 0.218 556 A C 2.162 179.740 177.584 -0.010 0.000 1.169 556 A CA 1.805 53.836 52.037 -0.010 0.000 0.635 556 A CB -0.328 18.667 19.000 -0.009 0.000 0.810 556 A HN 0.409 nan 8.150 nan 0.000 0.445 557 E N -0.060 120.134 120.200 -0.009 0.000 2.015 557 E HA -0.184 4.167 4.350 0.001 0.000 0.191 557 E C 2.030 178.624 176.600 -0.010 0.000 0.991 557 E CA 1.713 58.108 56.400 -0.009 0.000 0.802 557 E CB -0.432 29.263 29.700 -0.008 0.000 0.759 557 E HN 0.536 nan 8.360 nan 0.000 0.447 558 M N -0.323 119.271 119.600 -0.011 0.000 2.159 558 M HA -0.059 4.422 4.480 0.001 0.000 0.263 558 M C 0.085 176.377 176.300 -0.013 0.000 1.063 558 M CA 1.400 56.693 55.300 -0.012 0.000 1.110 558 M CB 0.183 32.775 32.600 -0.013 0.000 1.374 558 M HN 0.115 nan 8.290 nan 0.000 0.411 559 L N 1.029 122.244 121.223 -0.014 0.000 2.732 559 L HA 0.288 4.628 4.340 0.001 0.000 0.246 559 L C -1.811 175.051 176.870 -0.013 0.000 1.407 559 L CA -1.245 53.586 54.840 -0.015 0.000 0.861 559 L CB 0.352 42.401 42.059 -0.017 0.000 1.161 559 L HN 0.036 nan 8.230 nan 0.000 0.510 560 P HA -0.152 nan 4.420 nan 0.000 0.221 560 P C 1.168 178.463 177.300 -0.010 0.000 1.145 560 P CA 1.185 64.279 63.100 -0.010 0.000 0.795 560 P CB 0.353 32.048 31.700 -0.009 0.000 0.775 561 S N -0.782 114.911 115.700 -0.011 0.000 2.446 561 S HA 0.019 4.489 4.470 0.001 0.000 0.225 561 S C 1.135 175.727 174.600 -0.013 0.000 1.016 561 S CA 0.033 58.226 58.200 -0.011 0.000 0.943 561 S CB -1.159 62.034 63.200 -0.012 0.000 0.786 561 S HN -0.056 nan 8.310 nan 0.000 0.508 562 V N 3.650 123.556 119.914 -0.014 0.000 2.381 562 V HA 0.143 4.264 4.120 0.001 0.000 0.257 562 V C 1.208 177.294 176.094 -0.013 0.000 1.057 562 V CA -0.139 62.152 62.300 -0.016 0.000 1.013 562 V CB -0.229 31.583 31.823 -0.018 0.000 1.069 562 V HN 0.355 nan 8.190 nan 0.000 0.484 563 S N 3.202 118.895 115.700 -0.012 0.000 2.369 563 S HA -0.171 4.299 4.470 0.001 0.000 0.225 563 S C 1.121 175.715 174.600 -0.010 0.000 1.043 563 S CA 1.878 60.072 58.200 -0.010 0.000 1.074 563 S CB -0.089 63.106 63.200 -0.009 0.000 0.962 563 S HN 0.713 nan 8.310 nan 0.000 0.433 564 S N 0.270 115.963 115.700 -0.011 0.000 2.498 564 S HA 0.613 5.083 4.470 0.001 0.000 0.317 564 S C -0.799 173.793 174.600 -0.013 0.000 1.090 564 S CA -0.737 57.456 58.200 -0.011 0.000 1.089 564 S CB 0.232 63.427 63.200 -0.009 0.000 0.997 564 S HN 0.286 nan 8.310 nan 0.000 0.470 565 I N 6.117 126.679 120.570 -0.013 0.000 2.668 565 I HA 0.238 4.408 4.170 0.001 0.000 0.276 565 I C -0.912 175.196 176.117 -0.014 0.000 1.139 565 I CA -0.793 60.498 61.300 -0.015 0.000 1.133 565 I CB 1.039 39.029 38.000 -0.015 0.000 1.327 565 I HN 0.341 nan 8.210 nan 0.000 0.520 566 L N 3.765 124.980 121.223 -0.014 0.000 2.462 566 L HA 0.283 4.624 4.340 0.001 0.000 0.272 566 L C 0.618 177.479 176.870 -0.015 0.000 1.166 566 L CA 0.951 55.783 54.840 -0.013 0.000 0.880 566 L CB -0.105 41.947 42.059 -0.012 0.000 1.142 566 L HN 0.494 nan 8.230 nan 0.000 0.473 567 T N 0.000 114.546 114.554 -0.013 0.000 3.816 567 T HA 0.000 4.351 4.350 0.001 0.000 0.228 567 T CA 0.000 62.092 62.100 -0.014 0.000 1.349 567 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 567 T HN 0.000 nan 8.240 nan 0.000 0.658