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 1jgt_1_B DATA FIRST_RESID 2 DATA SEQUENCE GAPVLPAAFG FLASARTGGG XXPGPVFATR GSHTDIDTPQ GERSLAATLV DATA SEQUENCE HAPSVAPDRA VARSLTGAPT TAVLAGEIYN RDELLSVLPA GPAPEGDAEL DATA SEQUENCE VLRLLERYDL HAFRLVNGRF ATVVRTGDRV LLATDHAGSV PLYTCVAPGE DATA SEQUENCE VRASTEAKAL AAHRDPKGFP LADARRVAGL TGVYQVPAGA VMDIDLGSGT DATA SEQUENCE AVTHRTWTPG LSRRILPEGE AVAAVRAALE KAVAQRVTPG DTPLVVLSGG DATA SEQUENCE IDSSGVAACA HRAAGELDTV SMGTDTSNEF REARAVVDHL RTRHREITIP DATA SEQUENCE TTELLAQLPY AVWASESVDP DIIEYLLPLT ALYRALDGPE RRILTGYGAD DATA SEQUENCE IPLGGMHRED RLPALDTVLA HDMATFDGLN EMSPVLSTLA GHWTTHPYWD DATA SEQUENCE REVLDLLVSL EAGLKRRHGR DKWVLRAAMA DALPAETVNR PKLXXXXXSG DATA SEQUENCE TTSSFSRLLL DHGVAEDRVH EAKRQVVREL FDLTVGGGRH PSEVDTDDVV DATA SEQUENCE RSVADRT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2 G C 0.000 174.894 174.900 -0.010 0.000 0.946 2 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 3 A N 0.785 123.600 122.820 -0.009 0.000 2.325 3 A HA 0.830 5.151 4.320 0.000 0.000 0.333 3 A C -2.655 174.919 177.584 -0.017 0.000 1.155 3 A CA -1.302 50.726 52.037 -0.015 0.000 0.814 3 A CB 0.607 19.601 19.000 -0.010 0.000 1.206 3 A HN 0.035 nan 8.150 nan 0.000 0.482 4 P HA 0.081 nan 4.420 nan 0.000 0.263 4 P C 0.834 178.113 177.300 -0.035 0.000 1.195 4 P CA -0.082 62.991 63.100 -0.044 0.000 0.762 4 P CB 0.893 32.548 31.700 -0.075 0.000 0.799 5 V N 5.006 124.911 119.914 -0.015 0.000 2.591 5 V HA 0.011 4.131 4.120 0.000 0.000 0.249 5 V C 0.538 176.631 176.094 -0.001 0.000 1.053 5 V CA 1.297 63.605 62.300 0.014 0.000 1.068 5 V CB -0.328 31.523 31.823 0.046 0.000 0.689 5 V HN 0.279 nan 8.190 nan 0.000 0.462 6 L N 1.545 122.737 121.223 -0.052 0.000 2.322 6 L HA 0.538 4.879 4.340 0.000 0.000 0.269 6 L C -2.148 174.530 176.870 -0.319 0.000 1.012 6 L CA -2.217 52.544 54.840 -0.131 0.000 0.815 6 L CB 1.360 43.415 42.059 -0.006 0.000 1.295 6 L HN 0.022 nan 8.230 nan 0.000 0.438 7 P HA -0.042 nan 4.420 nan 0.000 0.269 7 P C 0.188 177.215 177.300 -0.455 0.000 1.211 7 P CA -0.093 62.665 63.100 -0.569 0.000 0.781 7 P CB 0.721 31.892 31.700 -0.882 0.000 0.877 8 A N 1.702 124.326 122.820 -0.327 0.000 1.978 8 A HA 0.175 4.495 4.320 0.000 0.000 0.220 8 A C 1.103 178.504 177.584 -0.306 0.000 1.170 8 A CA 1.846 53.717 52.037 -0.277 0.000 0.636 8 A CB -0.686 18.193 19.000 -0.202 0.000 0.810 8 A HN 0.803 nan 8.150 nan 0.000 0.448 9 A N -2.783 119.857 122.820 -0.300 0.000 2.566 9 A HA 0.623 4.943 4.320 0.000 0.000 0.297 9 A C -0.120 177.362 177.584 -0.170 0.000 1.059 9 A CA -0.607 51.295 52.037 -0.225 0.000 0.691 9 A CB 0.206 19.184 19.000 -0.037 0.000 1.282 9 A HN 0.105 nan 8.150 nan 0.000 0.401 10 F N 1.476 121.407 119.950 -0.031 0.000 2.270 10 F HA 0.406 4.934 4.527 0.000 0.000 0.295 10 F C 1.660 177.410 175.800 -0.084 0.000 1.087 10 F CA 0.893 58.880 58.000 -0.021 0.000 1.365 10 F CB -0.103 38.901 39.000 0.008 0.000 1.056 10 F HN 0.850 nan 8.300 nan 0.000 0.506 11 G N -1.414 107.395 108.800 0.014 0.000 2.606 11 G HA2 0.537 4.497 3.960 0.000 0.000 0.300 11 G HA3 0.537 4.497 3.960 0.000 0.000 0.300 11 G C -1.882 172.890 174.900 -0.213 0.000 1.360 11 G CA -0.469 44.451 45.100 -0.300 0.000 0.783 11 G HN 0.029 nan 8.290 nan 0.000 0.484 12 F N -2.309 117.511 119.950 -0.216 0.000 2.807 12 F HA 0.815 5.342 4.527 0.000 0.000 0.316 12 F C -2.151 173.755 175.800 0.175 0.000 1.162 12 F CA -1.609 56.384 58.000 -0.011 0.000 0.910 12 F CB 1.671 40.688 39.000 0.028 0.000 1.314 12 F HN 0.730 nan 8.300 nan 0.000 0.454 13 L N 2.197 123.805 121.223 0.642 0.000 2.446 13 L HA 0.942 5.282 4.340 0.000 0.000 0.268 13 L C -1.235 175.839 176.870 0.340 0.000 0.975 13 L CA -0.720 54.406 54.840 0.477 0.000 0.848 13 L CB 1.003 43.251 42.059 0.316 0.000 1.225 13 L HN 1.227 nan 8.230 nan 0.000 0.410 14 A N 3.139 126.141 122.820 0.302 0.000 2.354 14 A HA 0.932 5.252 4.320 0.000 0.000 0.321 14 A C -0.796 176.832 177.584 0.075 0.000 1.125 14 A CA -0.440 51.658 52.037 0.101 0.000 0.799 14 A CB 1.759 20.720 19.000 -0.065 0.000 1.293 14 A HN 0.757 nan 8.150 nan 0.000 0.452 15 S N -0.606 115.111 115.700 0.028 0.000 2.548 15 S HA 0.698 5.169 4.470 0.000 0.000 0.276 15 S C -1.067 173.537 174.600 0.006 0.000 1.129 15 S CA 0.195 58.406 58.200 0.019 0.000 0.931 15 S CB 1.419 64.624 63.200 0.008 0.000 1.068 15 S HN 2.027 nan 8.310 nan 0.000 0.480 16 A N 5.062 127.888 122.820 0.009 0.000 2.375 16 A HA 0.799 5.119 4.320 0.000 0.000 0.291 16 A C -0.313 177.278 177.584 0.011 0.000 1.160 16 A CA -0.847 51.194 52.037 0.007 0.000 0.747 16 A CB 0.707 19.712 19.000 0.008 0.000 1.170 16 A HN 0.846 nan 8.150 nan 0.000 0.458 17 R N 0.758 121.263 120.500 0.008 0.000 2.837 17 R HA 0.600 4.941 4.340 0.000 0.000 0.271 17 R C 0.202 176.509 176.300 0.012 0.000 0.993 17 R CA -0.067 56.040 56.100 0.012 0.000 0.931 17 R CB 1.166 31.471 30.300 0.008 0.000 1.206 17 R HN 0.351 nan 8.270 nan 0.000 0.474 18 T N -0.727 113.836 114.554 0.015 0.000 2.857 18 T HA 0.137 4.487 4.350 0.000 0.000 0.266 18 T C 0.559 175.266 174.700 0.012 0.000 1.048 18 T CA 1.376 63.484 62.100 0.014 0.000 1.139 18 T CB -0.275 68.603 68.868 0.016 0.000 0.874 18 T HN 0.776 nan 8.240 nan 0.000 0.455 19 G N -2.130 106.678 108.800 0.014 0.000 2.667 19 G HA2 0.552 4.512 3.960 0.000 0.000 0.294 19 G HA3 0.552 4.512 3.960 0.000 0.000 0.294 19 G C -0.156 174.753 174.900 0.014 0.000 1.467 19 G CA -0.111 44.996 45.100 0.013 0.000 0.852 19 G HN 0.680 nan 8.290 nan 0.000 0.521 20 G N -0.719 108.088 108.800 0.013 0.000 2.152 20 G HA2 0.718 4.678 3.960 0.000 0.000 0.058 20 G HA3 0.718 4.678 3.960 0.000 0.000 0.058 20 G C 0.489 175.396 174.900 0.012 0.000 0.966 20 G CA 1.362 46.470 45.100 0.014 0.000 1.149 20 G HN 2.833 nan 8.290 nan 0.000 0.402 25 G N 3.304 112.100 108.800 -0.006 0.000 2.372 25 G HA2 0.457 4.417 3.960 0.000 0.000 0.286 25 G HA3 0.457 4.417 3.960 0.000 0.000 0.286 25 G C -1.753 173.098 174.900 -0.082 0.000 1.153 25 G CA -0.561 44.529 45.100 -0.017 0.000 0.985 25 G HN 0.195 nan 8.290 nan 0.000 0.429 26 P HA 0.077 nan 4.420 nan 0.000 0.264 26 P C -0.463 176.545 177.300 -0.486 0.000 1.193 26 P CA -0.051 62.755 63.100 -0.489 0.000 0.763 26 P CB 1.349 32.565 31.700 -0.807 0.000 0.810 27 V N 4.973 124.603 119.914 -0.474 0.000 2.313 27 V HA 0.374 4.494 4.120 0.000 0.000 0.278 27 V C 0.072 176.042 176.094 -0.207 0.000 1.017 27 V CA -0.303 61.878 62.300 -0.198 0.000 0.823 27 V CB 0.005 31.802 31.823 -0.044 0.000 1.010 27 V HN 0.419 nan 8.190 nan 0.000 0.443 28 F N 1.612 121.628 119.950 0.109 0.000 2.538 28 F HA 0.648 5.175 4.527 0.000 0.000 0.325 28 F C 1.223 176.972 175.800 -0.084 0.000 1.066 28 F CA -0.862 57.125 58.000 -0.022 0.000 0.946 28 F CB 2.209 41.207 39.000 -0.003 0.000 1.199 28 F HN 0.475 nan 8.300 nan 0.000 0.473 29 A N 0.459 123.146 122.820 -0.223 0.000 2.030 29 A HA 0.081 4.401 4.320 0.000 0.000 0.215 29 A C 0.927 178.344 177.584 -0.278 0.000 1.164 29 A CA 0.492 52.018 52.037 -0.851 0.000 0.697 29 A CB -0.568 17.421 19.000 -1.684 0.000 0.827 29 A HN 0.651 nan 8.150 nan 0.000 0.457 30 T N 1.263 115.729 114.554 -0.147 0.000 2.902 30 T HA 0.240 4.590 4.350 0.000 0.000 0.301 30 T C 0.279 175.037 174.700 0.096 0.000 1.012 30 T CA 0.074 62.123 62.100 -0.085 0.000 1.151 30 T CB 0.299 69.072 68.868 -0.158 0.000 0.946 30 T HN 0.449 nan 8.240 nan 0.000 0.542 31 R N 1.633 122.176 120.500 0.071 0.000 2.349 31 R HA 0.596 4.936 4.340 0.000 0.000 0.299 31 R C 0.252 176.671 176.300 0.198 0.000 1.027 31 R CA -0.011 56.174 56.100 0.141 0.000 0.958 31 R CB 0.418 30.775 30.300 0.096 0.000 1.047 31 R HN 0.903 nan 8.270 nan 0.000 0.468 32 G N 1.041 109.953 108.800 0.186 0.000 2.337 32 G HA2 0.015 3.976 3.960 0.000 0.000 0.298 32 G HA3 0.015 3.976 3.960 0.000 0.000 0.298 32 G C -1.471 173.462 174.900 0.056 0.000 1.335 32 G CA -0.911 44.272 45.100 0.138 0.000 0.875 32 G HN 0.560 nan 8.290 nan 0.000 0.579 33 S N -0.243 115.362 115.700 -0.159 0.000 2.585 33 S HA 0.452 4.922 4.470 0.000 0.000 0.273 33 S C -0.292 174.317 174.600 0.015 0.000 1.339 33 S CA -0.139 57.957 58.200 -0.174 0.000 1.028 33 S CB 0.424 63.425 63.200 -0.332 0.000 0.906 33 S HN 0.502 nan 8.310 nan 0.000 0.528 34 H N 0.968 120.022 119.070 -0.028 0.000 2.595 34 H HA 0.353 4.909 4.556 0.000 0.000 0.313 34 H C -0.627 174.774 175.328 0.121 0.000 1.023 34 H CA -0.568 55.535 56.048 0.090 0.000 1.218 34 H CB 1.023 30.851 29.762 0.110 0.000 1.403 34 H HN 0.404 nan 8.280 nan 0.000 0.477 35 T N 3.650 118.378 114.554 0.291 0.000 2.809 35 T HA 0.100 4.450 4.350 0.000 0.000 0.284 35 T C -0.336 174.457 174.700 0.156 0.000 0.992 35 T CA -0.931 61.308 62.100 0.232 0.000 0.957 35 T CB 1.317 70.362 68.868 0.296 0.000 0.942 35 T HN 0.494 nan 8.240 nan 0.000 0.439 36 D N 2.680 123.146 120.400 0.111 0.000 2.302 36 D HA 0.356 4.996 4.640 0.000 0.000 0.248 36 D C 0.774 177.101 176.300 0.045 0.000 1.094 36 D CA -0.496 53.548 54.000 0.075 0.000 0.897 36 D CB 0.798 41.634 40.800 0.060 0.000 1.200 36 D HN 0.572 nan 8.370 nan 0.000 0.429 37 I N -1.614 118.972 120.570 0.025 0.000 2.834 37 I HA 0.348 4.518 4.170 0.000 0.000 0.305 37 I C 0.146 176.263 176.117 -0.000 0.000 1.008 37 I CA -0.806 60.494 61.300 0.001 0.000 1.273 37 I CB 0.788 38.776 38.000 -0.020 0.000 1.432 37 I HN -0.028 nan 8.210 nan 0.000 0.557 38 D N 2.543 122.938 120.400 -0.008 0.000 2.382 38 D HA 0.176 4.816 4.640 0.000 0.000 0.240 38 D C 0.149 176.443 176.300 -0.009 0.000 1.146 38 D CA 0.331 54.327 54.000 -0.007 0.000 0.897 38 D CB 1.185 41.979 40.800 -0.010 0.000 1.197 38 D HN 0.763 nan 8.370 nan 0.000 0.432 39 T N -1.517 113.033 114.554 -0.006 0.000 3.401 39 T HA 0.291 4.641 4.350 0.000 0.000 0.341 39 T C -1.728 172.969 174.700 -0.006 0.000 1.674 39 T CA -1.240 60.856 62.100 -0.006 0.000 1.600 39 T CB 1.338 70.204 68.868 -0.002 0.000 0.974 39 T HN 0.123 nan 8.240 nan 0.000 0.672 40 P HA -0.122 nan 4.420 nan 0.000 0.218 40 P C 0.768 178.065 177.300 -0.006 0.000 1.149 40 P CA 1.135 64.231 63.100 -0.008 0.000 0.817 40 P CB 0.253 31.947 31.700 -0.010 0.000 0.785 41 Q N -0.348 119.448 119.800 -0.007 0.000 2.247 41 Q HA 0.315 4.655 4.340 0.000 0.000 0.205 41 Q C 1.395 177.393 176.000 -0.003 0.000 0.896 41 Q CA 0.535 56.335 55.803 -0.005 0.000 0.950 41 Q CB -0.369 28.366 28.738 -0.005 0.000 1.054 41 Q HN 0.291 nan 8.270 nan 0.000 0.482 42 G N 1.468 110.266 108.800 -0.002 0.000 2.596 42 G HA2 -0.489 3.472 3.960 0.000 0.000 0.304 42 G HA3 -0.489 3.472 3.960 0.000 0.000 0.304 42 G C 0.903 175.803 174.900 0.000 0.000 1.189 42 G CA 0.555 45.655 45.100 -0.000 0.000 0.986 42 G HN 0.401 nan 8.290 nan 0.000 0.548 43 E N 1.043 121.244 120.200 0.002 0.000 2.347 43 E HA 0.092 4.443 4.350 0.000 0.000 0.196 43 E C 2.532 179.133 176.600 0.002 0.000 1.008 43 E CA 1.192 57.594 56.400 0.003 0.000 0.852 43 E CB -0.099 29.604 29.700 0.005 0.000 0.783 43 E HN 0.549 nan 8.360 nan 0.000 0.505 44 R N -0.128 120.373 120.500 0.001 0.000 2.317 44 R HA 0.176 4.516 4.340 0.000 0.000 0.208 44 R C 0.362 176.660 176.300 -0.003 0.000 0.914 44 R CA 0.320 56.420 56.100 0.000 0.000 1.060 44 R CB 0.411 30.711 30.300 0.000 0.000 1.015 44 R HN 0.055 nan 8.270 nan 0.000 0.498 45 S N 0.395 116.092 115.700 -0.004 0.000 2.713 45 S HA 0.348 4.818 4.470 0.000 0.000 0.283 45 S C -0.309 174.284 174.600 -0.012 0.000 1.161 45 S CA -0.994 57.201 58.200 -0.009 0.000 0.999 45 S CB 1.440 64.634 63.200 -0.010 0.000 1.039 45 S HN 0.052 nan 8.310 nan 0.000 0.548 46 L N 1.635 122.846 121.223 -0.020 0.000 2.281 46 L HA 0.672 5.012 4.340 0.000 0.000 0.285 46 L C 0.039 176.892 176.870 -0.028 0.000 1.074 46 L CA -0.279 54.544 54.840 -0.028 0.000 0.817 46 L CB 0.097 42.128 42.059 -0.046 0.000 1.168 46 L HN 0.902 nan 8.230 nan 0.000 0.434 47 A N 4.685 127.495 122.820 -0.018 0.000 2.310 47 A HA 0.924 5.244 4.320 0.000 0.000 0.299 47 A C -0.433 177.146 177.584 -0.008 0.000 1.147 47 A CA 0.121 52.154 52.037 -0.008 0.000 0.818 47 A CB 0.766 19.768 19.000 0.003 0.000 1.096 47 A HN 1.354 nan 8.150 nan 0.000 0.495 48 A N 1.251 124.074 122.820 0.005 0.000 2.577 48 A HA 0.682 5.003 4.320 0.000 0.000 0.297 48 A C -0.528 177.098 177.584 0.070 0.000 1.060 48 A CA -0.381 51.672 52.037 0.026 0.000 0.697 48 A CB 1.004 19.972 19.000 -0.054 0.000 1.281 48 A HN 0.833 nan 8.150 nan 0.000 0.402 49 T N 2.939 117.573 114.554 0.133 0.000 2.772 49 T HA 0.567 4.918 4.350 0.000 0.000 0.288 49 T C -0.320 174.513 174.700 0.221 0.000 0.994 49 T CA -0.129 62.062 62.100 0.152 0.000 0.951 49 T CB 0.198 69.140 68.868 0.123 0.000 0.933 49 T HN 0.464 nan 8.240 nan 0.000 0.447 50 L N 3.078 124.420 121.223 0.199 0.000 2.325 50 L HA 0.720 5.061 4.340 0.000 0.000 0.279 50 L C 0.066 177.073 176.870 0.227 0.000 1.054 50 L CA -1.192 53.782 54.840 0.223 0.000 0.804 50 L CB 1.451 43.621 42.059 0.185 0.000 1.200 50 L HN 0.305 nan 8.230 nan 0.000 0.436 51 V N 3.208 123.197 119.914 0.125 0.000 2.398 51 V HA 0.585 4.706 4.120 0.000 0.000 0.286 51 V C -0.772 175.387 176.094 0.109 0.000 1.026 51 V CA 0.008 62.369 62.300 0.102 0.000 0.868 51 V CB 1.068 32.889 31.823 -0.003 0.000 0.982 51 V HN 0.998 nan 8.190 nan 0.000 0.443 52 H N 4.032 123.116 119.070 0.023 0.000 2.960 52 H HA 0.822 5.379 4.556 0.000 0.000 0.323 52 H C -0.282 174.915 175.328 -0.219 0.000 1.326 52 H CA -0.475 55.393 56.048 -0.300 0.000 1.124 52 H CB 1.275 30.875 29.762 -0.270 0.000 1.853 52 H HN 0.839 nan 8.280 nan 0.000 0.536 53 A N 1.485 124.103 122.820 -0.338 0.000 2.545 53 A HA 0.269 4.589 4.320 0.000 0.000 0.253 53 A C -2.321 175.286 177.584 0.038 0.000 1.074 53 A CA -0.803 51.187 52.037 -0.079 0.000 0.760 53 A CB -0.953 17.976 19.000 -0.118 0.000 1.005 53 A HN 0.591 nan 8.150 nan 0.000 0.506 54 P HA 0.075 nan 4.420 nan 0.000 0.265 54 P C 0.835 178.167 177.300 0.053 0.000 1.193 54 P CA 1.502 64.613 63.100 0.018 0.000 0.765 54 P CB 0.799 32.507 31.700 0.013 0.000 0.823 55 S N -0.065 115.677 115.700 0.070 0.000 2.427 55 S HA -0.148 4.322 4.470 0.000 0.000 0.253 55 S C 0.032 174.659 174.600 0.045 0.000 1.246 55 S CA 0.984 59.217 58.200 0.053 0.000 1.421 55 S CB -2.308 60.911 63.200 0.032 0.000 1.769 55 S HN 0.204 nan 8.310 nan 0.000 0.620 56 V N 2.985 122.935 119.914 0.060 0.000 2.311 56 V HA 0.802 4.923 4.120 0.000 0.000 0.275 56 V C 0.951 177.006 176.094 -0.065 0.000 1.022 56 V CA -0.442 61.855 62.300 -0.005 0.000 0.830 56 V CB 0.513 32.314 31.823 -0.037 0.000 1.012 56 V HN 0.952 nan 8.190 nan 0.000 0.452 57 A N 7.966 130.728 122.820 -0.096 0.000 2.565 57 A HA 0.317 4.638 4.320 0.000 0.000 0.237 57 A C -0.817 176.573 177.584 -0.322 0.000 1.053 57 A CA -0.580 51.342 52.037 -0.191 0.000 0.755 57 A CB -0.023 18.910 19.000 -0.112 0.000 0.980 57 A HN 0.724 nan 8.150 nan 0.000 0.506 58 P HA 0.003 nan 4.420 nan 0.000 0.258 58 P C -0.014 177.139 177.300 -0.245 0.000 1.403 58 P CA 0.059 62.884 63.100 -0.459 0.000 0.826 58 P CB 0.181 31.502 31.700 -0.633 0.000 1.414 59 D N 1.396 121.683 120.400 -0.188 0.000 2.149 59 D HA -0.189 4.451 4.640 0.000 0.000 0.194 59 D C 1.683 177.914 176.300 -0.114 0.000 1.001 59 D CA 1.256 55.180 54.000 -0.127 0.000 0.849 59 D CB -0.267 40.472 40.800 -0.101 0.000 0.939 59 D HN 0.371 nan 8.370 nan 0.000 0.449 60 R N 0.386 120.811 120.500 -0.124 0.000 2.339 60 R HA 0.117 4.457 4.340 0.000 0.000 0.199 60 R C 1.667 177.901 176.300 -0.110 0.000 1.018 60 R CA 0.506 56.540 56.100 -0.111 0.000 1.036 60 R CB 0.079 30.311 30.300 -0.114 0.000 0.899 60 R HN 0.077 nan 8.270 nan 0.000 0.473 61 A N 0.435 123.186 122.820 -0.116 0.000 2.308 61 A HA 0.186 4.506 4.320 0.000 0.000 0.217 61 A C 0.404 177.940 177.584 -0.080 0.000 1.216 61 A CA 0.052 52.034 52.037 -0.091 0.000 0.864 61 A CB 0.730 19.677 19.000 -0.088 0.000 0.902 61 A HN -0.001 nan 8.150 nan 0.000 0.499 62 V N -0.219 119.644 119.914 -0.085 0.000 2.656 62 V HA 0.776 4.896 4.120 0.000 0.000 0.307 62 V C -0.127 175.926 176.094 -0.069 0.000 1.051 62 V CA -0.294 61.959 62.300 -0.078 0.000 0.893 62 V CB 1.358 33.136 31.823 -0.075 0.000 0.999 62 V HN 0.460 nan 8.190 nan 0.000 0.426 63 A N 4.669 127.452 122.820 -0.062 0.000 2.515 63 A HA 0.962 5.283 4.320 0.000 0.000 0.298 63 A C -0.708 176.848 177.584 -0.046 0.000 1.059 63 A CA -0.817 51.188 52.037 -0.054 0.000 0.698 63 A CB 1.931 20.899 19.000 -0.054 0.000 1.289 63 A HN 0.827 nan 8.150 nan 0.000 0.404 64 R N 0.247 120.722 120.500 -0.040 0.000 2.867 64 R HA 0.647 4.988 4.340 0.000 0.000 0.268 64 R C 0.005 176.287 176.300 -0.030 0.000 1.014 64 R CA -0.719 55.361 56.100 -0.034 0.000 0.946 64 R CB 1.904 32.185 30.300 -0.032 0.000 1.208 64 R HN 0.792 nan 8.270 nan 0.000 0.477 65 S N 0.385 116.070 115.700 -0.025 0.000 2.558 65 S HA 0.017 4.487 4.470 0.000 0.000 0.287 65 S C 0.808 175.394 174.600 -0.024 0.000 1.321 65 S CA -0.130 58.056 58.200 -0.023 0.000 1.048 65 S CB 0.280 63.469 63.200 -0.019 0.000 0.844 65 S HN 0.508 nan 8.310 nan 0.000 0.512 66 L N 3.592 124.800 121.223 -0.024 0.000 2.628 66 L HA 0.163 4.503 4.340 0.000 0.000 0.229 66 L C 1.597 178.455 176.870 -0.020 0.000 1.137 66 L CA 0.402 55.228 54.840 -0.023 0.000 0.909 66 L CB -0.098 41.946 42.059 -0.025 0.000 1.137 66 L HN 0.922 nan 8.230 nan 0.000 0.470 67 T N -5.015 109.528 114.554 -0.019 0.000 3.132 67 T HA 0.258 4.609 4.350 0.000 0.000 0.274 67 T C 1.253 175.944 174.700 -0.014 0.000 1.011 67 T CA 0.266 62.356 62.100 -0.016 0.000 0.899 67 T CB 0.753 69.612 68.868 -0.016 0.000 1.089 67 T HN 0.255 nan 8.240 nan 0.000 0.543 68 G N 1.114 109.905 108.800 -0.015 0.000 2.198 68 G HA2 0.016 3.977 3.960 0.000 0.000 0.260 68 G HA3 0.016 3.977 3.960 0.000 0.000 0.260 68 G C 0.267 175.160 174.900 -0.012 0.000 1.025 68 G CA 0.009 45.101 45.100 -0.014 0.000 0.769 68 G HN 1.217 nan 8.290 nan 0.000 0.507 69 A N -0.050 122.763 122.820 -0.013 0.000 2.269 69 A HA 0.910 5.230 4.320 0.000 0.000 0.327 69 A C -1.567 176.010 177.584 -0.011 0.000 1.112 69 A CA -1.244 50.787 52.037 -0.010 0.000 0.865 69 A CB 1.084 20.078 19.000 -0.010 0.000 1.227 69 A HN 0.221 nan 8.150 nan 0.000 0.498 70 P HA 0.137 nan 4.420 nan 0.000 0.235 70 P C -0.697 176.598 177.300 -0.009 0.000 1.765 70 P CA 0.562 63.657 63.100 -0.008 0.000 1.034 70 P CB -0.426 31.271 31.700 -0.005 0.000 1.984 71 T N 0.829 115.375 114.554 -0.012 0.000 2.881 71 T HA 0.453 4.803 4.350 0.000 0.000 0.291 71 T C -0.405 174.283 174.700 -0.019 0.000 0.990 71 T CA -0.127 61.966 62.100 -0.012 0.000 0.976 71 T CB 1.563 70.425 68.868 -0.010 0.000 0.970 71 T HN 0.009 nan 8.240 nan 0.000 0.438 72 T N 2.167 116.707 114.554 -0.022 0.000 2.909 72 T HA 0.804 5.154 4.350 0.000 0.000 0.299 72 T C -1.036 173.640 174.700 -0.040 0.000 1.073 72 T CA -0.738 61.341 62.100 -0.035 0.000 0.999 72 T CB 1.854 70.697 68.868 -0.042 0.000 1.098 72 T HN 0.742 nan 8.240 nan 0.000 0.477 73 A N 1.845 124.635 122.820 -0.049 0.000 2.393 73 A HA 0.847 5.167 4.320 0.000 0.000 0.306 73 A C -1.096 176.433 177.584 -0.092 0.000 1.050 73 A CA -0.650 51.356 52.037 -0.052 0.000 0.724 73 A CB 1.394 20.382 19.000 -0.019 0.000 1.248 73 A HN 0.661 nan 8.150 nan 0.000 0.424 74 V N 2.655 122.478 119.914 -0.152 0.000 2.540 74 V HA 0.628 4.749 4.120 0.000 0.000 0.302 74 V C -0.671 175.329 176.094 -0.156 0.000 1.035 74 V CA -0.448 61.722 62.300 -0.216 0.000 0.873 74 V CB 1.605 33.176 31.823 -0.419 0.000 0.992 74 V HN 0.851 nan 8.190 nan 0.000 0.428 75 L N 4.244 125.455 121.223 -0.020 0.000 2.409 75 L HA 0.927 5.267 4.340 0.000 0.000 0.272 75 L C -0.163 176.833 176.870 0.210 0.000 0.980 75 L CA -0.327 54.595 54.840 0.136 0.000 0.826 75 L CB 1.739 43.836 42.059 0.063 0.000 1.268 75 L HN 0.735 nan 8.230 nan 0.000 0.407 76 A N 3.664 126.708 122.820 0.374 0.000 2.292 76 A HA 0.897 5.217 4.320 0.000 0.000 0.319 76 A C 0.388 178.093 177.584 0.203 0.000 1.206 76 A CA 0.395 52.583 52.037 0.252 0.000 0.835 76 A CB 0.836 19.950 19.000 0.189 0.000 1.164 76 A HN 1.438 nan 8.150 nan 0.000 0.505 77 G N 1.349 110.184 108.800 0.059 0.000 2.451 77 G HA2 0.209 4.169 3.960 0.000 0.000 0.208 77 G HA3 0.209 4.169 3.960 0.000 0.000 0.208 77 G C -0.527 174.325 174.900 -0.079 0.000 1.248 77 G CA 0.064 45.191 45.100 0.046 0.000 0.989 77 G HN 1.733 nan 8.290 nan 0.000 0.559 78 E N -1.483 118.711 120.200 -0.010 0.000 2.445 78 E HA 0.719 5.070 4.350 0.000 0.000 0.279 78 E C -1.267 175.162 176.600 -0.285 0.000 1.018 78 E CA -1.183 55.119 56.400 -0.163 0.000 0.816 78 E CB 1.951 31.534 29.700 -0.195 0.000 1.356 78 E HN 0.728 nan 8.360 nan 0.000 0.462 79 I N 1.378 121.746 120.570 -0.338 0.000 2.530 79 I HA 0.234 4.404 4.170 0.000 0.000 0.297 79 I C -0.406 175.512 176.117 -0.333 0.000 1.011 79 I CA -0.765 60.325 61.300 -0.349 0.000 1.107 79 I CB 1.163 39.017 38.000 -0.242 0.000 1.285 79 I HN 0.572 nan 8.210 nan 0.000 0.436 80 Y N 2.084 122.434 120.300 0.083 0.000 2.479 80 Y HA 0.029 4.580 4.550 0.000 0.000 0.283 80 Y C 1.286 177.204 175.900 0.030 0.000 1.109 80 Y CA -0.209 57.928 58.100 0.062 0.000 1.239 80 Y CB -0.253 38.257 38.460 0.082 0.000 1.108 80 Y HN 0.561 nan 8.280 nan 0.000 0.548 81 N N 0.715 119.501 118.700 0.143 0.000 3.250 81 N HA 0.158 4.898 4.740 0.000 0.000 0.307 81 N C 0.802 176.331 175.510 0.032 0.000 1.355 81 N CA -0.224 52.873 53.050 0.079 0.000 1.192 81 N CB 0.244 38.765 38.487 0.057 0.000 1.478 81 N HN 0.100 nan 8.380 nan 0.000 0.543 82 R N 0.460 120.979 120.500 0.030 0.000 2.081 82 R HA -0.104 4.236 4.340 0.000 0.000 0.235 82 R C 0.800 177.100 176.300 0.000 0.000 1.131 82 R CA 1.428 57.528 56.100 -0.000 0.000 0.960 82 R CB -0.125 30.173 30.300 -0.003 0.000 0.856 82 R HN 0.475 nan 8.270 nan 0.000 0.436 83 D N 0.692 121.099 120.400 0.011 0.000 2.117 83 D HA -0.148 4.492 4.640 0.000 0.000 0.197 83 D C 1.787 178.090 176.300 0.006 0.000 0.987 83 D CA 1.305 55.309 54.000 0.007 0.000 0.829 83 D CB -0.074 40.732 40.800 0.010 0.000 0.961 83 D HN 0.205 nan 8.370 nan 0.000 0.460 84 E N 0.456 120.661 120.200 0.008 0.000 2.077 84 E HA -0.081 4.269 4.350 0.000 0.000 0.193 84 E C 2.349 178.950 176.600 0.001 0.000 0.989 84 E CA 0.428 56.832 56.400 0.006 0.000 0.800 84 E CB -0.265 29.439 29.700 0.007 0.000 0.746 84 E HN 0.272 nan 8.360 nan 0.000 0.452 85 L N -0.006 121.212 121.223 -0.007 0.000 2.056 85 L HA -0.127 4.213 4.340 0.000 0.000 0.207 85 L C 2.269 179.139 176.870 -0.001 0.000 1.078 85 L CA 0.756 55.587 54.840 -0.015 0.000 0.749 85 L CB -0.372 41.663 42.059 -0.041 0.000 0.901 85 L HN 0.158 nan 8.230 nan 0.000 0.433 86 L N -0.218 121.002 121.223 -0.006 0.000 2.131 86 L HA -0.190 4.150 4.340 0.000 0.000 0.210 86 L C 2.786 179.659 176.870 0.006 0.000 1.092 86 L CA 1.448 56.286 54.840 -0.004 0.000 0.759 86 L CB -0.562 41.492 42.059 -0.008 0.000 0.903 86 L HN 0.405 nan 8.230 nan 0.000 0.435 87 S N -0.481 115.225 115.700 0.010 0.000 2.507 87 S HA -0.076 4.394 4.470 0.000 0.000 0.235 87 S C 1.483 176.100 174.600 0.029 0.000 0.988 87 S CA 0.800 59.009 58.200 0.015 0.000 0.944 87 S CB -0.413 62.795 63.200 0.014 0.000 0.762 87 S HN 0.350 nan 8.310 nan 0.000 0.526 88 V N -1.467 118.476 119.914 0.048 0.000 3.542 88 V HA 0.512 4.632 4.120 0.000 0.000 0.296 88 V C 0.123 176.263 176.094 0.077 0.000 1.364 88 V CA -0.528 61.825 62.300 0.090 0.000 1.118 88 V CB -0.793 31.133 31.823 0.173 0.000 0.972 88 V HN 0.379 nan 8.190 nan 0.000 0.430 89 L N 2.516 123.762 121.223 0.037 0.000 2.325 89 L HA 0.521 4.861 4.340 0.000 0.000 0.279 89 L C -0.858 176.004 176.870 -0.012 0.000 1.054 89 L CA -1.781 53.064 54.840 0.009 0.000 0.804 89 L CB 1.260 43.320 42.059 0.002 0.000 1.200 89 L HN 0.132 nan 8.230 nan 0.000 0.436 90 P HA -0.053 nan 4.420 nan 0.000 0.316 90 P C 0.712 177.997 177.300 -0.025 0.000 1.413 90 P CA 0.135 63.215 63.100 -0.033 0.000 0.828 90 P CB 0.318 31.990 31.700 -0.046 0.000 1.787 91 A N -0.980 121.824 122.820 -0.026 0.000 1.858 91 A HA 0.248 4.569 4.320 0.000 0.000 0.216 91 A C 1.348 178.919 177.584 -0.022 0.000 1.190 91 A CA 2.402 54.426 52.037 -0.022 0.000 0.617 91 A CB -1.371 17.615 19.000 -0.022 0.000 0.827 91 A HN 0.917 nan 8.150 nan 0.000 0.443 92 G N -1.804 106.981 108.800 -0.025 0.000 2.347 92 G HA2 0.334 4.294 3.960 0.000 0.000 0.224 92 G HA3 0.334 4.294 3.960 0.000 0.000 0.224 92 G C -2.739 172.144 174.900 -0.027 0.000 1.318 92 G CA -0.190 44.895 45.100 -0.025 0.000 1.016 92 G HN 0.489 nan 8.290 nan 0.000 0.469 93 P HA 0.551 nan 4.420 nan 0.000 0.274 93 P C 0.120 177.404 177.300 -0.027 0.000 1.256 93 P CA 0.529 63.614 63.100 -0.025 0.000 0.795 93 P CB 0.651 32.336 31.700 -0.025 0.000 1.038 94 A N 2.942 125.747 122.820 -0.025 0.000 2.537 94 A HA 0.217 4.537 4.320 0.000 0.000 0.260 94 A C -1.467 176.098 177.584 -0.031 0.000 1.082 94 A CA -0.828 51.193 52.037 -0.026 0.000 0.765 94 A CB -1.410 17.576 19.000 -0.023 0.000 1.019 94 A HN 0.443 nan 8.150 nan 0.000 0.507 95 P HA 0.049 nan 4.420 nan 0.000 0.265 95 P C -0.543 176.730 177.300 -0.045 0.000 1.193 95 P CA 0.192 63.266 63.100 -0.043 0.000 0.765 95 P CB 0.678 32.348 31.700 -0.049 0.000 0.823 96 E N 1.991 122.162 120.200 -0.049 0.000 2.183 96 E HA 0.500 4.850 4.350 0.000 0.000 0.250 96 E C -0.232 176.330 176.600 -0.062 0.000 0.901 96 E CA -0.502 55.867 56.400 -0.051 0.000 0.741 96 E CB -0.074 29.599 29.700 -0.047 0.000 1.182 96 E HN 0.800 nan 8.360 nan 0.000 0.425 97 G N 3.353 112.112 108.800 -0.068 0.000 2.539 97 G HA2 -0.171 3.790 3.960 0.000 0.000 0.686 97 G HA3 -0.171 3.790 3.960 0.000 0.000 0.686 97 G C -0.018 174.828 174.900 -0.090 0.000 1.258 97 G CA -0.491 44.559 45.100 -0.083 0.000 0.846 97 G HN 0.512 nan 8.290 nan 0.000 0.647 98 D N 0.215 120.551 120.400 -0.107 0.000 2.224 98 D HA 0.094 4.734 4.640 0.000 0.000 0.205 98 D C 2.667 178.893 176.300 -0.125 0.000 0.965 98 D CA 1.704 55.627 54.000 -0.129 0.000 0.852 98 D CB -0.193 40.515 40.800 -0.154 0.000 0.947 98 D HN 0.808 nan 8.370 nan 0.000 0.494 99 A N 1.039 123.801 122.820 -0.097 0.000 1.898 99 A HA -0.187 4.134 4.320 0.000 0.000 0.216 99 A C 2.075 179.614 177.584 -0.076 0.000 1.181 99 A CA 1.275 53.265 52.037 -0.077 0.000 0.620 99 A CB -0.442 18.517 19.000 -0.068 0.000 0.819 99 A HN 0.151 nan 8.150 nan 0.000 0.442 100 E N -0.864 119.290 120.200 -0.076 0.000 2.106 100 E HA -0.156 4.194 4.350 0.000 0.000 0.192 100 E C 1.921 178.477 176.600 -0.074 0.000 0.984 100 E CA 1.018 57.378 56.400 -0.067 0.000 0.806 100 E CB -0.195 29.468 29.700 -0.061 0.000 0.750 100 E HN 0.493 nan 8.360 nan 0.000 0.458 101 L N 0.620 121.791 121.223 -0.088 0.000 2.046 101 L HA -0.166 4.174 4.340 0.000 0.000 0.208 101 L C 2.189 178.990 176.870 -0.116 0.000 1.077 101 L CA 1.401 56.184 54.840 -0.094 0.000 0.747 101 L CB -0.407 41.588 42.059 -0.107 0.000 0.896 101 L HN -0.058 nan 8.230 nan 0.000 0.432 102 V N -0.648 119.180 119.914 -0.143 0.000 2.295 102 V HA -0.278 3.843 4.120 0.000 0.000 0.246 102 V C 2.510 178.518 176.094 -0.143 0.000 1.049 102 V CA 1.742 63.933 62.300 -0.181 0.000 1.024 102 V CB -0.613 31.128 31.823 -0.138 0.000 0.648 102 V HN 0.457 nan 8.190 nan 0.000 0.447 103 L N -0.061 121.109 121.223 -0.088 0.000 2.046 103 L HA -0.107 4.233 4.340 0.000 0.000 0.208 103 L C 2.616 179.449 176.870 -0.062 0.000 1.077 103 L CA 1.868 56.670 54.840 -0.063 0.000 0.747 103 L CB -0.777 41.253 42.059 -0.047 0.000 0.896 103 L HN 0.185 nan 8.230 nan 0.000 0.432 104 R N -0.608 119.856 120.500 -0.061 0.000 2.096 104 R HA -0.069 4.272 4.340 0.000 0.000 0.235 104 R C 2.246 178.523 176.300 -0.038 0.000 1.127 104 R CA 1.293 57.364 56.100 -0.048 0.000 0.968 104 R CB -0.947 29.327 30.300 -0.043 0.000 0.861 104 R HN 0.402 nan 8.270 nan 0.000 0.440 105 L N 0.467 121.663 121.223 -0.043 0.000 2.093 105 L HA -0.117 4.223 4.340 0.000 0.000 0.208 105 L C 2.409 179.291 176.870 0.021 0.000 1.085 105 L CA 0.939 55.790 54.840 0.019 0.000 0.755 105 L CB -0.455 41.561 42.059 -0.072 0.000 0.904 105 L HN 0.094 nan 8.230 nan 0.000 0.435 106 L N -0.498 120.678 121.223 -0.079 0.000 2.191 106 L HA -0.193 4.147 4.340 0.000 0.000 0.212 106 L C 2.363 179.215 176.870 -0.030 0.000 1.103 106 L CA 1.095 55.894 54.840 -0.068 0.000 0.769 106 L CB -0.426 41.589 42.059 -0.075 0.000 0.908 106 L HN 0.310 nan 8.230 nan 0.000 0.438 107 E N -0.358 119.817 120.200 -0.042 0.000 2.204 107 E HA -0.205 4.145 4.350 0.000 0.000 0.194 107 E C 2.214 178.760 176.600 -0.091 0.000 0.989 107 E CA 0.678 57.046 56.400 -0.053 0.000 0.824 107 E CB 0.088 29.757 29.700 -0.053 0.000 0.756 107 E HN 0.343 nan 8.360 nan 0.000 0.477 108 R N -0.613 119.807 120.500 -0.133 0.000 2.128 108 R HA 0.000 4.341 4.340 0.000 0.000 0.211 108 R C 0.810 176.833 176.300 -0.461 0.000 1.067 108 R CA 0.752 56.646 56.100 -0.343 0.000 1.010 108 R CB 0.350 30.344 30.300 -0.510 0.000 0.922 108 R HN 0.157 nan 8.270 nan 0.000 0.457 109 Y N -0.088 120.198 120.300 -0.024 0.000 2.527 109 Y HA 0.253 4.803 4.550 0.000 0.000 0.247 109 Y C 0.167 176.091 175.900 0.041 0.000 1.138 109 Y CA -0.126 57.987 58.100 0.022 0.000 1.228 109 Y CB 0.448 38.919 38.460 0.019 0.000 1.252 109 Y HN 0.138 nan 8.280 nan 0.000 0.531 110 D N 0.163 120.622 120.400 0.099 0.000 3.307 110 D HA -0.308 4.332 4.640 0.000 0.000 0.197 110 D C 1.073 177.366 176.300 -0.012 0.000 1.363 110 D CA 1.944 55.964 54.000 0.032 0.000 1.100 110 D CB -0.595 40.223 40.800 0.030 0.000 0.616 110 D HN 0.096 nan 8.370 nan 0.000 0.719 111 L N -1.021 120.153 121.223 -0.081 0.000 2.353 111 L HA 0.078 4.418 4.340 0.000 0.000 0.220 111 L C 1.992 178.813 176.870 -0.080 0.000 1.133 111 L CA 1.692 56.507 54.840 -0.043 0.000 0.798 111 L CB -1.108 40.894 42.059 -0.095 0.000 0.922 111 L HN 0.428 nan 8.230 nan 0.000 0.445 112 H N 0.653 119.755 119.070 0.053 0.000 2.545 112 H HA 0.186 4.742 4.556 0.000 0.000 0.282 112 H C 2.251 177.552 175.328 -0.045 0.000 1.020 112 H CA 0.905 56.977 56.048 0.040 0.000 1.243 112 H CB -0.053 29.742 29.762 0.054 0.000 1.377 112 H HN 0.569 nan 8.280 nan 0.000 0.581 113 A N 0.926 123.716 122.820 -0.050 0.000 1.948 113 A HA -0.181 4.140 4.320 0.000 0.000 0.220 113 A C 1.969 179.370 177.584 -0.306 0.000 1.177 113 A CA 1.194 53.069 52.037 -0.269 0.000 0.636 113 A CB -1.153 17.611 19.000 -0.394 0.000 0.815 113 A HN 0.277 nan 8.150 nan 0.000 0.449 114 F N -0.341 119.642 119.950 0.055 0.000 2.451 114 F HA -0.074 4.453 4.527 0.000 0.000 0.299 114 F C 2.388 178.270 175.800 0.137 0.000 1.101 114 F CA 1.004 59.077 58.000 0.122 0.000 1.436 114 F CB -0.132 38.975 39.000 0.178 0.000 1.074 114 F HN 0.132 nan 8.300 nan 0.000 0.553 115 R N 0.064 120.692 120.500 0.213 0.000 2.235 115 R HA -0.012 4.328 4.340 0.000 0.000 0.213 115 R C 1.611 177.970 176.300 0.098 0.000 1.059 115 R CA 0.744 56.954 56.100 0.183 0.000 0.997 115 R CB -0.205 30.181 30.300 0.143 0.000 0.884 115 R HN 0.380 nan 8.270 nan 0.000 0.462 116 L N 0.074 121.299 121.223 0.003 0.000 2.513 116 L HA 0.127 4.468 4.340 0.000 0.000 0.222 116 L C 0.278 177.149 176.870 0.001 0.000 1.096 116 L CA -0.068 54.738 54.840 -0.057 0.000 0.857 116 L CB 0.450 42.379 42.059 -0.217 0.000 1.026 116 L HN -0.133 nan 8.230 nan 0.000 0.469 117 V N 1.456 121.410 119.914 0.066 0.000 2.488 117 V HA 0.096 4.216 4.120 0.000 0.000 0.277 117 V C -0.152 176.066 176.094 0.207 0.000 1.046 117 V CA -0.346 62.014 62.300 0.101 0.000 0.986 117 V CB 0.977 32.847 31.823 0.077 0.000 0.989 117 V HN 0.247 nan 8.190 nan 0.000 0.475 118 N N 4.132 122.923 118.700 0.153 0.000 2.558 118 N HA 0.653 5.393 4.740 0.000 0.000 0.242 118 N C -0.124 175.551 175.510 0.276 0.000 0.979 118 N CA 0.232 53.398 53.050 0.193 0.000 0.931 118 N CB 1.305 39.853 38.487 0.102 0.000 1.122 118 N HN 0.838 nan 8.380 nan 0.000 0.508 119 G N 1.499 110.539 108.800 0.401 0.000 2.731 119 G HA2 0.464 4.425 3.960 0.000 0.000 0.309 119 G HA3 0.464 4.425 3.960 0.000 0.000 0.309 119 G C -1.553 173.546 174.900 0.332 0.000 1.273 119 G CA -0.830 44.409 45.100 0.231 0.000 0.798 119 G HN 0.463 nan 8.290 nan 0.000 0.509 120 R N -0.086 120.559 120.500 0.242 0.000 2.607 120 R HA 0.571 4.912 4.340 0.000 0.000 0.278 120 R C -1.392 175.107 176.300 0.332 0.000 1.637 120 R CA -0.583 55.672 56.100 0.260 0.000 1.325 120 R CB 0.124 30.669 30.300 0.407 0.000 1.211 120 R HN 0.627 nan 8.270 nan 0.000 0.565 121 F N 0.370 120.376 119.950 0.092 0.000 2.741 121 F HA 0.888 5.415 4.527 0.000 0.000 0.313 121 F C -1.923 173.922 175.800 0.075 0.000 1.153 121 F CA -1.243 56.815 58.000 0.096 0.000 0.931 121 F CB 1.242 40.285 39.000 0.072 0.000 1.335 121 F HN 0.227 nan 8.300 nan 0.000 0.460 122 A N 1.018 123.976 122.820 0.231 0.000 2.427 122 A HA 0.758 5.078 4.320 0.000 0.000 0.298 122 A C -1.141 176.731 177.584 0.480 0.000 1.036 122 A CA -0.391 51.741 52.037 0.159 0.000 0.701 122 A CB 1.577 20.580 19.000 0.006 0.000 1.250 122 A HN 1.199 nan 8.150 nan 0.000 0.412 123 T N 0.376 115.179 114.554 0.415 0.000 2.900 123 T HA 0.639 4.989 4.350 0.000 0.000 0.303 123 T C -1.788 173.011 174.700 0.165 0.000 1.142 123 T CA -0.311 61.990 62.100 0.335 0.000 1.007 123 T CB 1.517 70.587 68.868 0.336 0.000 1.156 123 T HN 1.786 nan 8.240 nan 0.000 0.490 124 V N 4.607 124.504 119.914 -0.028 0.000 2.638 124 V HA 0.871 4.991 4.120 0.000 0.000 0.306 124 V C -1.444 174.613 176.094 -0.061 0.000 1.052 124 V CA -0.317 61.945 62.300 -0.064 0.000 0.885 124 V CB 1.726 33.442 31.823 -0.178 0.000 0.999 124 V HN 0.837 nan 8.190 nan 0.000 0.424 125 V N 6.861 126.778 119.914 0.005 0.000 2.709 125 V HA 0.661 4.781 4.120 0.000 0.000 0.308 125 V C -0.335 175.765 176.094 0.011 0.000 1.062 125 V CA -0.789 61.520 62.300 0.016 0.000 0.901 125 V CB 2.018 33.889 31.823 0.080 0.000 1.003 125 V HN 0.949 nan 8.190 nan 0.000 0.425 126 R N 1.941 122.439 120.500 -0.004 0.000 2.480 126 R HA 0.697 5.038 4.340 0.000 0.000 0.306 126 R C -1.214 175.088 176.300 0.003 0.000 0.958 126 R CA -0.226 55.875 56.100 0.001 0.000 0.861 126 R CB 1.807 32.101 30.300 -0.009 0.000 1.171 126 R HN 0.770 nan 8.270 nan 0.000 0.445 127 T N 3.489 118.049 114.554 0.011 0.000 2.934 127 T HA 0.419 4.769 4.350 0.000 0.000 0.328 127 T C 0.339 175.044 174.700 0.009 0.000 1.068 127 T CA 0.311 62.416 62.100 0.008 0.000 1.018 127 T CB 1.393 70.269 68.868 0.013 0.000 1.009 127 T HN 0.955 nan 8.240 nan 0.000 0.471 128 G N 4.105 112.908 108.800 0.005 0.000 2.596 128 G HA2 -0.266 3.695 3.960 0.000 0.000 0.304 128 G HA3 -0.266 3.695 3.960 0.000 0.000 0.304 128 G C 0.048 174.953 174.900 0.008 0.000 1.189 128 G CA 0.371 45.474 45.100 0.006 0.000 0.986 128 G HN 0.613 nan 8.290 nan 0.000 0.548 129 D N 1.245 121.651 120.400 0.011 0.000 2.525 129 D HA 0.281 4.921 4.640 0.000 0.000 0.229 129 D C 0.950 177.260 176.300 0.017 0.000 1.202 129 D CA 0.025 54.033 54.000 0.013 0.000 0.828 129 D CB 0.255 41.062 40.800 0.013 0.000 1.008 129 D HN 0.457 nan 8.370 nan 0.000 0.493 130 R N 0.627 121.138 120.500 0.019 0.000 2.445 130 R HA 0.558 4.899 4.340 0.000 0.000 0.308 130 R C -1.394 174.922 176.300 0.028 0.000 0.961 130 R CA -0.497 55.619 56.100 0.026 0.000 0.862 130 R CB 1.445 31.763 30.300 0.029 0.000 1.144 130 R HN -0.217 nan 8.270 nan 0.000 0.447 131 V N 6.326 126.260 119.914 0.032 0.000 2.531 131 V HA 0.416 4.536 4.120 0.000 0.000 0.301 131 V C -0.374 175.746 176.094 0.043 0.000 1.034 131 V CA -0.777 61.542 62.300 0.033 0.000 0.865 131 V CB 1.849 33.688 31.823 0.027 0.000 0.995 131 V HN 0.662 nan 8.190 nan 0.000 0.424 132 L N 5.790 127.045 121.223 0.052 0.000 2.329 132 L HA 0.667 5.008 4.340 0.000 0.000 0.279 132 L C -0.835 176.052 176.870 0.028 0.000 1.014 132 L CA -0.523 54.353 54.840 0.061 0.000 0.814 132 L CB 1.771 43.906 42.059 0.126 0.000 1.257 132 L HN 0.391 nan 8.230 nan 0.000 0.424 133 L N 2.967 124.184 121.223 -0.010 0.000 2.385 133 L HA 0.880 5.220 4.340 0.000 0.000 0.273 133 L C -0.423 176.360 176.870 -0.145 0.000 0.990 133 L CA -0.483 54.342 54.840 -0.025 0.000 0.821 133 L CB 2.023 44.090 42.059 0.013 0.000 1.279 133 L HN 0.731 nan 8.230 nan 0.000 0.412 134 A N 1.437 124.131 122.820 -0.209 0.000 2.515 134 A HA 0.870 5.191 4.320 0.000 0.000 0.298 134 A C -0.468 176.971 177.584 -0.242 0.000 1.059 134 A CA -0.488 51.310 52.037 -0.399 0.000 0.698 134 A CB 2.015 20.264 19.000 -1.250 0.000 1.289 134 A HN 0.649 nan 8.150 nan 0.000 0.404 135 T N -1.045 113.339 114.554 -0.284 0.000 2.940 135 T HA 0.700 5.050 4.350 0.000 0.000 0.288 135 T C -0.206 174.126 174.700 -0.613 0.000 1.045 135 T CA -0.273 61.587 62.100 -0.401 0.000 1.018 135 T CB 1.114 69.834 68.868 -0.247 0.000 1.151 135 T HN 0.765 nan 8.240 nan 0.000 0.529 136 D N -1.276 118.607 120.400 -0.861 0.000 2.433 136 D HA 0.150 4.790 4.640 0.000 0.000 0.255 136 D C 1.325 177.481 176.300 -0.240 0.000 1.226 136 D CA -0.365 53.228 54.000 -0.679 0.000 1.015 136 D CB 0.040 40.464 40.800 -0.626 0.000 1.091 136 D HN 0.886 nan 8.370 nan 0.000 0.527 137 H N -1.961 117.042 119.070 -0.110 0.000 2.390 137 H HA -0.086 4.470 4.556 0.000 0.000 0.298 137 H C 1.302 176.613 175.328 -0.029 0.000 1.106 137 H CA 1.715 57.681 56.048 -0.136 0.000 1.297 137 H CB -0.177 29.169 29.762 -0.694 0.000 1.375 137 H HN 0.360 nan 8.280 nan 0.000 0.509 138 A N 0.201 122.628 122.820 -0.655 0.000 2.430 138 A HA 0.458 4.778 4.320 0.000 0.000 0.243 138 A C 1.870 179.520 177.584 0.110 0.000 1.254 138 A CA 0.223 52.213 52.037 -0.078 0.000 0.914 138 A CB -0.524 18.386 19.000 -0.151 0.000 0.998 138 A HN 0.897 nan 8.150 nan 0.000 0.515 139 G N 0.878 109.637 108.800 -0.069 0.000 2.341 139 G HA2 -0.324 3.637 3.960 0.000 0.000 0.292 139 G HA3 -0.324 3.637 3.960 0.000 0.000 0.292 139 G C 1.098 175.935 174.900 -0.105 0.000 1.021 139 G CA 1.232 46.278 45.100 -0.090 0.000 0.905 139 G HN 1.450 nan 8.290 nan 0.000 0.508 140 S N -2.221 113.389 115.700 -0.149 0.000 2.442 140 S HA 0.160 4.630 4.470 0.000 0.000 0.236 140 S C 0.950 175.482 174.600 -0.114 0.000 1.007 140 S CA 1.236 59.363 58.200 -0.123 0.000 0.965 140 S CB 0.352 63.504 63.200 -0.081 0.000 0.773 140 S HN 0.909 nan 8.310 nan 0.000 0.504 141 V N 3.702 123.538 119.914 -0.131 0.000 2.284 141 V HA 0.413 4.533 4.120 0.000 0.000 0.274 141 V C -2.543 173.460 176.094 -0.152 0.000 1.023 141 V CA -2.117 60.121 62.300 -0.103 0.000 0.808 141 V CB 0.752 32.549 31.823 -0.043 0.000 1.035 141 V HN 0.183 nan 8.190 nan 0.000 0.445 142 P HA 0.070 nan 4.420 nan 0.000 0.263 142 P C -0.797 176.341 177.300 -0.269 0.000 1.175 142 P CA 0.122 63.091 63.100 -0.218 0.000 0.761 142 P CB 0.475 32.130 31.700 -0.075 0.000 0.794 143 L N 5.316 126.278 121.223 -0.435 0.000 2.438 143 L HA 0.498 4.838 4.340 0.000 0.000 0.270 143 L C -1.624 174.984 176.870 -0.437 0.000 0.972 143 L CA -0.665 53.998 54.840 -0.295 0.000 0.831 143 L CB 0.908 42.874 42.059 -0.155 0.000 1.273 143 L HN 0.258 nan 8.230 nan 0.000 0.405 144 Y N 2.222 122.522 120.300 0.000 0.000 2.549 144 Y HA 0.844 5.394 4.550 0.000 0.000 0.339 144 Y C 0.426 176.370 175.900 0.073 0.000 1.053 144 Y CA -0.614 57.510 58.100 0.040 0.000 1.105 144 Y CB 2.469 40.947 38.460 0.030 0.000 1.258 144 Y HN 0.611 nan 8.280 nan 0.000 0.478 145 T N 0.180 114.889 114.554 0.258 0.000 2.853 145 T HA 0.556 4.906 4.350 0.000 0.000 0.311 145 T C -2.030 172.775 174.700 0.176 0.000 1.307 145 T CA -0.460 61.750 62.100 0.183 0.000 1.019 145 T CB 0.673 69.616 68.868 0.125 0.000 1.264 145 T HN 0.718 nan 8.240 nan 0.000 0.497 146 C N 3.566 122.931 119.300 0.109 0.000 2.356 146 C HA 0.748 5.208 4.460 0.000 0.000 0.324 146 C C -0.430 174.575 174.990 0.025 0.000 1.167 146 C CA -0.702 58.351 59.018 0.058 0.000 1.420 146 C CB -0.026 27.732 27.740 0.030 0.000 2.036 146 C HN 0.726 nan 8.230 nan 0.000 0.435 147 V N 3.405 123.319 119.914 0.001 0.000 2.495 147 V HA 0.938 5.059 4.120 0.000 0.000 0.298 147 V C 0.207 176.380 176.094 0.133 0.000 1.031 147 V CA 0.018 62.341 62.300 0.039 0.000 0.871 147 V CB 1.726 33.558 31.823 0.015 0.000 0.988 147 V HN 1.018 nan 8.190 nan 0.000 0.432 148 A N 5.957 128.879 122.820 0.170 0.000 2.587 148 A HA 0.914 5.234 4.320 0.000 0.000 0.293 148 A C -3.163 174.501 177.584 0.133 0.000 1.087 148 A CA -1.785 50.423 52.037 0.284 0.000 0.692 148 A CB 1.996 21.243 19.000 0.412 0.000 1.291 148 A HN 0.592 nan 8.150 nan 0.000 0.407 149 P HA 0.291 nan 4.420 nan 0.000 0.260 149 P C 1.018 178.345 177.300 0.045 0.000 1.185 149 P CA 2.386 65.508 63.100 0.038 0.000 0.763 149 P CB 0.500 32.202 31.700 0.003 0.000 0.776 150 G N 2.262 111.084 108.800 0.037 0.000 2.195 150 G HA2 -0.243 3.718 3.960 0.000 0.000 0.246 150 G HA3 -0.243 3.718 3.960 0.000 0.000 0.246 150 G C 0.011 174.933 174.900 0.036 0.000 0.984 150 G CA 0.140 45.260 45.100 0.033 0.000 0.633 150 G HN 0.619 nan 8.290 nan 0.000 0.525 151 E N -0.588 119.640 120.200 0.048 0.000 2.321 151 E HA 0.559 4.909 4.350 0.000 0.000 0.281 151 E C -1.295 175.331 176.600 0.043 0.000 0.910 151 E CA -0.726 55.698 56.400 0.040 0.000 0.770 151 E CB 2.304 32.028 29.700 0.039 0.000 1.225 151 E HN 0.273 nan 8.360 nan 0.000 0.417 152 V N 4.508 124.442 119.914 0.033 0.000 2.531 152 V HA 0.557 4.677 4.120 0.000 0.000 0.301 152 V C -0.492 175.624 176.094 0.038 0.000 1.034 152 V CA -0.657 61.666 62.300 0.038 0.000 0.865 152 V CB 1.747 33.592 31.823 0.037 0.000 0.995 152 V HN 0.634 nan 8.190 nan 0.000 0.424 153 R N 2.862 123.390 120.500 0.047 0.000 2.534 153 R HA 0.861 5.201 4.340 0.000 0.000 0.301 153 R C -0.674 175.691 176.300 0.108 0.000 0.961 153 R CA -0.322 55.814 56.100 0.060 0.000 0.871 153 R CB 2.220 32.535 30.300 0.025 0.000 1.170 153 R HN 0.839 nan 8.270 nan 0.000 0.446 154 A N 1.412 124.329 122.820 0.160 0.000 2.414 154 A HA 0.756 5.077 4.320 0.000 0.000 0.306 154 A C -1.056 176.726 177.584 0.330 0.000 1.054 154 A CA -0.612 51.567 52.037 0.236 0.000 0.724 154 A CB 2.140 21.294 19.000 0.258 0.000 1.267 154 A HN 0.520 nan 8.150 nan 0.000 0.418 155 S N -0.351 115.503 115.700 0.257 0.000 2.556 155 S HA 0.548 5.018 4.470 0.000 0.000 0.271 155 S C 0.732 175.328 174.600 -0.007 0.000 1.135 155 S CA 0.305 58.598 58.200 0.155 0.000 0.858 155 S CB 1.319 64.648 63.200 0.215 0.000 1.114 155 S HN 1.362 nan 8.310 nan 0.000 0.468 156 T N 0.229 114.597 114.554 -0.309 0.000 3.148 156 T HA 0.308 4.659 4.350 0.000 0.000 0.253 156 T C 0.065 174.744 174.700 -0.035 0.000 1.134 156 T CA 0.331 62.254 62.100 -0.294 0.000 1.051 156 T CB -0.372 68.159 68.868 -0.562 0.000 0.959 156 T HN 0.598 nan 8.240 nan 0.000 0.525 157 E N -0.057 120.170 120.200 0.045 0.000 2.274 157 E HA 0.584 4.934 4.350 0.000 0.000 0.269 157 E C 0.509 177.010 176.600 -0.165 0.000 0.891 157 E CA -0.583 55.803 56.400 -0.024 0.000 0.784 157 E CB 1.914 31.607 29.700 -0.011 0.000 1.225 157 E HN 0.100 nan 8.360 nan 0.000 0.412 158 A N 3.938 126.348 122.820 -0.685 0.000 1.978 158 A HA -0.267 4.053 4.320 0.000 0.000 0.220 158 A C 1.990 179.384 177.584 -0.317 0.000 1.170 158 A CA 1.960 53.556 52.037 -0.735 0.000 0.636 158 A CB -0.503 17.839 19.000 -1.096 0.000 0.810 158 A HN 0.672 nan 8.150 nan 0.000 0.448 159 K N -0.308 119.931 120.400 -0.268 0.000 2.152 159 K HA 0.003 4.323 4.320 0.000 0.000 0.206 159 K C 1.866 178.409 176.600 -0.095 0.000 1.048 159 K CA 1.441 57.623 56.287 -0.175 0.000 0.933 159 K CB -0.504 31.898 32.500 -0.164 0.000 0.721 159 K HN 0.266 nan 8.250 nan 0.000 0.447 160 A N 1.427 124.216 122.820 -0.053 0.000 2.067 160 A HA 0.040 4.360 4.320 0.000 0.000 0.219 160 A C 2.091 179.654 177.584 -0.034 0.000 1.158 160 A CA 0.830 52.827 52.037 -0.067 0.000 0.661 160 A CB -0.368 18.624 19.000 -0.014 0.000 0.801 160 A HN 0.309 nan 8.150 nan 0.000 0.452 161 L N -1.521 119.692 121.223 -0.017 0.000 2.249 161 L HA 0.037 4.377 4.340 0.000 0.000 0.207 161 L C 2.838 179.718 176.870 0.018 0.000 1.090 161 L CA 0.764 55.610 54.840 0.010 0.000 0.802 161 L CB -0.280 41.795 42.059 0.027 0.000 0.947 161 L HN 0.375 nan 8.230 nan 0.000 0.453 162 A N 0.080 122.885 122.820 -0.026 0.000 2.067 162 A HA 0.050 4.370 4.320 0.000 0.000 0.217 162 A C 2.454 180.034 177.584 -0.006 0.000 1.156 162 A CA 1.072 53.096 52.037 -0.023 0.000 0.683 162 A CB -0.393 18.563 19.000 -0.073 0.000 0.808 162 A HN 0.325 nan 8.150 nan 0.000 0.455 163 A N -0.595 122.221 122.820 -0.006 0.000 2.076 163 A HA -0.093 4.228 4.320 0.000 0.000 0.220 163 A C 1.225 178.833 177.584 0.040 0.000 1.160 163 A CA 1.475 53.512 52.037 0.000 0.000 0.653 163 A CB -0.685 18.304 19.000 -0.017 0.000 0.801 163 A HN 0.710 nan 8.150 nan 0.000 0.455 164 H N -0.553 118.496 119.070 -0.035 0.000 2.607 164 H HA 0.514 5.070 4.556 0.000 0.000 0.367 164 H C 0.382 175.699 175.328 -0.019 0.000 1.181 164 H CA -0.620 55.414 56.048 -0.023 0.000 1.402 164 H CB 0.427 30.179 29.762 -0.016 0.000 1.474 164 H HN 0.176 nan 8.280 nan 0.000 0.596 165 R N 2.237 122.327 120.500 -0.683 0.000 2.316 165 R HA 0.120 4.461 4.340 0.000 0.000 0.314 165 R C -0.856 175.244 176.300 -0.333 0.000 1.069 165 R CA 0.169 56.020 56.100 -0.415 0.000 0.959 165 R CB -1.027 29.060 30.300 -0.355 0.000 0.987 165 R HN 0.961 nan 8.270 nan 0.000 0.446 166 D N 2.642 122.969 120.400 -0.122 0.000 3.218 166 D HA -0.161 4.479 4.640 0.000 0.000 0.213 166 D C -2.326 173.996 176.300 0.038 0.000 1.192 166 D CA 0.079 54.059 54.000 -0.034 0.000 0.940 166 D CB -0.984 39.805 40.800 -0.019 0.000 0.841 166 D HN 0.414 nan 8.370 nan 0.000 0.391 167 P HA -0.008 nan 4.420 nan 0.000 0.265 167 P C 0.085 177.369 177.300 -0.027 0.000 1.193 167 P CA -0.145 63.021 63.100 0.110 0.000 0.765 167 P CB 0.628 32.361 31.700 0.055 0.000 0.823 168 K N 2.757 123.140 120.400 -0.027 0.000 2.307 168 K HA 0.311 4.632 4.320 0.000 0.000 0.240 168 K C 0.485 176.829 176.600 -0.426 0.000 1.214 168 K CA 0.048 56.229 56.287 -0.176 0.000 1.149 168 K CB -0.082 32.463 32.500 0.074 0.000 1.668 168 K HN 0.564 nan 8.250 nan 0.000 0.314 169 G N 1.659 110.051 108.800 -0.679 0.000 2.544 169 G HA2 0.634 4.595 3.960 0.000 0.000 0.313 169 G HA3 0.634 4.595 3.960 0.000 0.000 0.313 169 G C -1.050 173.398 174.900 -0.754 0.000 1.316 169 G CA -0.463 44.344 45.100 -0.489 0.000 0.944 169 G HN 0.176 nan 8.290 nan 0.000 0.489 170 F N 1.809 121.714 119.950 -0.075 0.000 2.598 170 F HA 0.561 5.088 4.527 0.000 0.000 0.327 170 F C -1.766 173.681 175.800 -0.588 0.000 1.057 170 F CA -2.443 55.463 58.000 -0.157 0.000 0.957 170 F CB 2.171 41.130 39.000 -0.067 0.000 1.278 170 F HN 0.228 nan 8.300 nan 0.000 0.484 171 P HA 0.014 nan 4.420 nan 0.000 0.263 171 P C -1.079 176.044 177.300 -0.295 0.000 1.168 171 P CA 0.656 63.538 63.100 -0.363 0.000 0.759 171 P CB 0.579 32.290 31.700 0.018 0.000 0.782 172 L N 1.455 122.508 121.223 -0.284 0.000 2.388 172 L HA 0.575 4.915 4.340 0.000 0.000 0.264 172 L C 0.387 177.228 176.870 -0.048 0.000 0.998 172 L CA -1.499 53.257 54.840 -0.141 0.000 0.817 172 L CB 2.022 43.989 42.059 -0.153 0.000 1.338 172 L HN 0.302 nan 8.230 nan 0.000 0.414 173 A N 0.872 123.671 122.820 -0.036 0.000 2.566 173 A HA 0.167 4.487 4.320 0.000 0.000 0.245 173 A C 0.665 178.241 177.584 -0.013 0.000 1.056 173 A CA 0.610 52.633 52.037 -0.023 0.000 0.757 173 A CB -0.167 18.809 19.000 -0.040 0.000 0.979 173 A HN 0.963 nan 8.150 nan 0.000 0.508 174 D N -0.737 119.664 120.400 0.002 0.000 2.554 174 D HA -0.209 4.432 4.640 0.000 0.000 0.178 174 D C 0.503 176.821 176.300 0.030 0.000 1.054 174 D CA 2.198 56.202 54.000 0.007 0.000 1.052 174 D CB -1.431 39.364 40.800 -0.009 0.000 1.112 174 D HN 1.248 nan 8.370 nan 0.000 0.448 175 A N 0.761 123.614 122.820 0.056 0.000 2.409 175 A HA 0.533 4.853 4.320 0.000 0.000 0.267 175 A C 0.408 178.125 177.584 0.220 0.000 1.127 175 A CA -0.010 52.099 52.037 0.120 0.000 0.795 175 A CB 0.459 19.537 19.000 0.130 0.000 1.061 175 A HN 0.174 nan 8.150 nan 0.000 0.502 176 R N 1.751 122.343 120.500 0.153 0.000 2.349 176 R HA 0.298 4.638 4.340 0.000 0.000 0.299 176 R C 0.285 176.586 176.300 0.001 0.000 1.027 176 R CA -0.645 55.514 56.100 0.098 0.000 0.958 176 R CB 1.236 31.546 30.300 0.017 0.000 1.047 176 R HN 0.801 nan 8.270 nan 0.000 0.468 177 R N 2.444 122.838 120.500 -0.178 0.000 2.489 177 R HA 0.067 4.408 4.340 0.000 0.000 0.287 177 R C -0.610 175.506 176.300 -0.306 0.000 1.053 177 R CA -0.192 55.520 56.100 -0.647 0.000 1.036 177 R CB 0.673 30.685 30.300 -0.481 0.000 0.966 177 R HN 0.336 nan 8.270 nan 0.000 0.432 178 V N 4.860 124.609 119.914 -0.276 0.000 2.427 178 V HA 0.137 4.258 4.120 0.000 0.000 0.268 178 V C 0.651 176.686 176.094 -0.098 0.000 1.046 178 V CA -0.345 61.903 62.300 -0.088 0.000 0.970 178 V CB 0.739 32.578 31.823 0.026 0.000 1.001 178 V HN 0.913 nan 8.190 nan 0.000 0.476 179 A N 4.478 127.224 122.820 -0.124 0.000 2.520 179 A HA 0.513 4.833 4.320 0.000 0.000 0.245 179 A C 1.535 179.039 177.584 -0.134 0.000 1.072 179 A CA 0.633 52.584 52.037 -0.144 0.000 0.761 179 A CB -0.295 18.594 19.000 -0.186 0.000 1.004 179 A HN 2.066 nan 8.150 nan 0.000 0.499 180 G N 0.801 109.581 108.800 -0.033 0.000 2.195 180 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 180 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 180 G C -0.014 174.989 174.900 0.172 0.000 0.984 180 G CA 0.418 45.583 45.100 0.108 0.000 0.633 180 G HN 0.940 nan 8.290 nan 0.000 0.525 181 L N 0.489 121.769 121.223 0.096 0.000 2.309 181 L HA 0.819 5.159 4.340 0.000 0.000 0.261 181 L C 0.293 177.154 176.870 -0.014 0.000 1.021 181 L CA -0.542 54.327 54.840 0.048 0.000 0.823 181 L CB 2.424 44.508 42.059 0.043 0.000 1.366 181 L HN 0.301 nan 8.230 nan 0.000 0.423 182 T N -2.708 111.836 114.554 -0.016 0.000 2.824 182 T HA 0.594 4.944 4.350 0.000 0.000 0.282 182 T C 0.602 175.287 174.700 -0.026 0.000 0.993 182 T CA 0.040 62.127 62.100 -0.022 0.000 0.967 182 T CB 1.643 70.510 68.868 -0.001 0.000 0.960 182 T HN 1.063 nan 8.240 nan 0.000 0.441 183 G N 1.565 110.356 108.800 -0.015 0.000 2.179 183 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 183 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 183 G C -0.056 174.911 174.900 0.110 0.000 0.977 183 G CA -0.003 45.100 45.100 0.005 0.000 0.641 183 G HN 1.192 nan 8.290 nan 0.000 0.533 184 V N 0.843 120.770 119.914 0.023 0.000 2.417 184 V HA 0.717 4.837 4.120 0.000 0.000 0.291 184 V C -0.403 175.663 176.094 -0.046 0.000 1.024 184 V CA -0.975 61.371 62.300 0.076 0.000 0.861 184 V CB 1.226 33.056 31.823 0.011 0.000 0.985 184 V HN 0.230 nan 8.190 nan 0.000 0.436 185 Y N 2.289 122.657 120.300 0.113 0.000 2.485 185 Y HA 0.568 5.118 4.550 0.000 0.000 0.345 185 Y C 0.185 176.180 175.900 0.158 0.000 0.998 185 Y CA -0.824 57.345 58.100 0.114 0.000 1.059 185 Y CB 1.875 40.369 38.460 0.058 0.000 1.234 185 Y HN 0.572 nan 8.280 nan 0.000 0.461 186 Q N 1.593 121.504 119.800 0.184 0.000 2.271 186 Q HA 0.587 4.927 4.340 0.000 0.000 0.258 186 Q C -1.395 174.564 176.000 -0.069 0.000 0.936 186 Q CA -0.760 55.008 55.803 -0.059 0.000 0.909 186 Q CB 1.346 29.990 28.738 -0.157 0.000 1.253 186 Q HN 0.608 nan 8.270 nan 0.000 0.440 187 V N 6.480 126.308 119.914 -0.143 0.000 2.637 187 V HA 0.173 4.293 4.120 0.000 0.000 0.296 187 V C -2.022 174.007 176.094 -0.110 0.000 1.046 187 V CA -1.131 61.116 62.300 -0.090 0.000 1.066 187 V CB 0.679 32.444 31.823 -0.096 0.000 0.968 187 V HN 0.831 nan 8.190 nan 0.000 0.483 188 P HA 0.248 nan 4.420 nan 0.000 0.272 188 P C -0.390 176.885 177.300 -0.042 0.000 1.223 188 P CA -0.135 62.933 63.100 -0.054 0.000 0.784 188 P CB 0.501 32.187 31.700 -0.023 0.000 0.923 189 A N 2.007 124.817 122.820 -0.017 0.000 2.425 189 A HA 0.465 4.785 4.320 0.000 0.000 0.242 189 A C 1.153 178.816 177.584 0.132 0.000 1.077 189 A CA 0.323 52.394 52.037 0.055 0.000 0.781 189 A CB -1.209 17.904 19.000 0.187 0.000 1.020 189 A HN 0.856 nan 8.150 nan 0.000 0.494 190 G N -0.586 108.304 108.800 0.151 0.000 2.372 190 G HA2 0.302 4.262 3.960 0.000 0.000 0.297 190 G HA3 0.302 4.262 3.960 0.000 0.000 0.297 190 G C 0.221 175.232 174.900 0.186 0.000 1.005 190 G CA 0.830 46.084 45.100 0.257 0.000 1.173 190 G HN 2.367 nan 8.290 nan 0.000 0.511 191 A N -1.250 121.621 122.820 0.084 0.000 2.609 191 A HA 0.959 5.279 4.320 0.000 0.000 0.291 191 A C -0.685 176.890 177.584 -0.016 0.000 1.096 191 A CA -0.009 52.067 52.037 0.065 0.000 0.684 191 A CB 2.308 21.332 19.000 0.039 0.000 1.282 191 A HN 1.910 nan 8.150 nan 0.000 0.412 192 V N 2.212 122.142 119.914 0.028 0.000 2.569 192 V HA 0.648 4.769 4.120 0.000 0.000 0.301 192 V C -0.948 175.182 176.094 0.061 0.000 1.044 192 V CA -0.521 61.759 62.300 -0.035 0.000 0.874 192 V CB 1.391 33.225 31.823 0.019 0.000 1.002 192 V HN 0.878 nan 8.190 nan 0.000 0.424 193 M N 5.539 125.148 119.600 0.016 0.000 2.157 193 M HA 0.461 4.941 4.480 0.000 0.000 0.354 193 M C -0.911 175.426 176.300 0.062 0.000 1.170 193 M CA -0.323 54.999 55.300 0.037 0.000 1.060 193 M CB 1.382 33.987 32.600 0.010 0.000 1.615 193 M HN 0.612 nan 8.290 nan 0.000 0.460 194 D N 4.904 125.358 120.400 0.091 0.000 2.427 194 D HA 0.453 5.093 4.640 0.000 0.000 0.226 194 D C -1.163 175.172 176.300 0.058 0.000 1.076 194 D CA -0.213 53.843 54.000 0.094 0.000 0.849 194 D CB 0.535 41.424 40.800 0.148 0.000 1.052 194 D HN 0.478 nan 8.370 nan 0.000 0.515 195 I N 2.432 123.029 120.570 0.045 0.000 2.377 195 I HA 0.197 4.368 4.170 0.000 0.000 0.293 195 I C 0.111 176.247 176.117 0.031 0.000 0.987 195 I CA -0.962 60.357 61.300 0.032 0.000 1.185 195 I CB 1.699 39.716 38.000 0.028 0.000 1.341 195 I HN 0.235 nan 8.210 nan 0.000 0.455 196 D N 5.532 125.947 120.400 0.026 0.000 2.411 196 D HA 0.118 4.758 4.640 0.000 0.000 0.225 196 D C 0.892 177.204 176.300 0.021 0.000 1.156 196 D CA -0.444 53.570 54.000 0.023 0.000 0.874 196 D CB 1.037 41.849 40.800 0.020 0.000 1.034 196 D HN 0.416 nan 8.370 nan 0.000 0.502 197 L N 4.500 125.736 121.223 0.022 0.000 2.051 197 L HA -0.030 4.310 4.340 0.000 0.000 0.214 197 L C 2.031 178.914 176.870 0.021 0.000 1.076 197 L CA 2.550 57.404 54.840 0.022 0.000 0.758 197 L CB -0.900 41.172 42.059 0.020 0.000 0.890 197 L HN 0.622 nan 8.230 nan 0.000 0.433 198 G N -1.636 107.174 108.800 0.017 0.000 2.421 198 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 198 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 198 G C 1.555 176.462 174.900 0.011 0.000 1.171 198 G CA 1.109 46.217 45.100 0.014 0.000 0.775 198 G HN 0.599 nan 8.290 nan 0.000 0.543 199 S N -0.776 114.930 115.700 0.009 0.000 2.478 199 S HA 0.346 4.816 4.470 0.000 0.000 0.222 199 S C 1.924 176.528 174.600 0.005 0.000 1.008 199 S CA 1.085 59.287 58.200 0.003 0.000 0.928 199 S CB -0.013 63.187 63.200 0.001 0.000 0.781 199 S HN 1.622 nan 8.310 nan 0.000 0.518 200 G N 1.691 110.501 108.800 0.016 0.000 2.143 200 G HA2 -0.244 3.717 3.960 0.000 0.000 0.248 200 G HA3 -0.244 3.717 3.960 0.000 0.000 0.248 200 G C 0.147 175.055 174.900 0.014 0.000 0.991 200 G CA 0.469 45.585 45.100 0.027 0.000 0.689 200 G HN 1.182 nan 8.290 nan 0.000 0.522 201 T N -2.072 112.486 114.554 0.006 0.000 2.929 201 T HA 0.912 5.262 4.350 0.000 0.000 0.284 201 T C 0.010 174.710 174.700 0.000 0.000 1.014 201 T CA 0.301 62.399 62.100 -0.003 0.000 1.051 201 T CB 2.575 71.440 68.868 -0.005 0.000 1.028 201 T HN 1.804 nan 8.240 nan 0.000 0.485 202 A N 1.405 124.220 122.820 -0.009 0.000 2.539 202 A HA 0.755 5.075 4.320 0.000 0.000 0.296 202 A C -1.048 176.523 177.584 -0.022 0.000 1.073 202 A CA -0.861 51.172 52.037 -0.006 0.000 0.700 202 A CB 1.848 20.843 19.000 -0.008 0.000 1.296 202 A HN 0.860 nan 8.150 nan 0.000 0.405 203 V N 1.224 121.124 119.914 -0.023 0.000 2.540 203 V HA 0.625 4.745 4.120 0.000 0.000 0.302 203 V C -0.106 175.906 176.094 -0.136 0.000 1.035 203 V CA -0.334 61.912 62.300 -0.091 0.000 0.873 203 V CB 1.810 33.590 31.823 -0.071 0.000 0.992 203 V HN 0.942 nan 8.190 nan 0.000 0.428 204 T N 4.219 118.650 114.554 -0.205 0.000 2.823 204 T HA 0.551 4.901 4.350 0.000 0.000 0.279 204 T C -0.716 173.811 174.700 -0.288 0.000 0.998 204 T CA -0.427 61.584 62.100 -0.149 0.000 0.994 204 T CB 0.629 69.461 68.868 -0.060 0.000 0.960 204 T HN 0.644 nan 8.240 nan 0.000 0.448 205 H N 2.510 121.602 119.070 0.037 0.000 2.547 205 H HA 0.382 4.938 4.556 0.000 0.000 0.342 205 H C -0.152 175.222 175.328 0.076 0.000 1.048 205 H CA -0.966 55.118 56.048 0.060 0.000 1.204 205 H CB 1.303 31.104 29.762 0.065 0.000 1.493 205 H HN 0.188 nan 8.280 nan 0.000 0.511 206 R N 1.534 122.142 120.500 0.180 0.000 2.390 206 R HA 0.112 4.452 4.340 0.000 0.000 0.291 206 R C 1.041 177.468 176.300 0.212 0.000 1.070 206 R CA -0.271 55.927 56.100 0.164 0.000 1.014 206 R CB 0.423 30.790 30.300 0.112 0.000 1.007 206 R HN 0.742 nan 8.270 nan 0.000 0.466 207 T N -2.545 112.160 114.554 0.251 0.000 3.044 207 T HA 0.235 4.585 4.350 0.000 0.000 0.260 207 T C 0.054 174.983 174.700 0.383 0.000 1.019 207 T CA -0.495 61.783 62.100 0.296 0.000 0.921 207 T CB 0.201 69.263 68.868 0.324 0.000 1.053 207 T HN 0.611 nan 8.240 nan 0.000 0.533 208 W N 0.399 121.786 121.300 0.145 0.000 3.298 208 W HA 0.545 5.205 4.660 0.000 0.000 0.302 208 W C -2.181 174.418 176.519 0.133 0.000 1.255 208 W CA -0.462 56.967 57.345 0.140 0.000 1.196 208 W CB 1.130 30.706 29.460 0.193 0.000 1.364 208 W HN 0.001 nan 8.180 nan 0.000 0.566 209 T N 4.438 118.508 114.554 -0.806 0.000 3.012 209 T HA 0.469 4.819 4.350 0.000 0.000 0.330 209 T C -2.920 170.980 174.700 -1.333 0.000 1.321 209 T CA -1.059 60.600 62.100 -0.735 0.000 1.067 209 T CB 1.389 70.074 68.868 -0.305 0.000 1.235 209 T HN 0.155 nan 8.240 nan 0.000 0.479 210 P HA 0.277 nan 4.420 nan 0.000 0.265 210 P C 0.171 177.236 177.300 -0.391 0.000 1.193 210 P CA 0.009 62.718 63.100 -0.652 0.000 0.765 210 P CB 0.313 31.927 31.700 -0.142 0.000 0.823 211 G N 2.086 110.721 108.800 -0.273 0.000 2.491 211 G HA2 0.175 4.135 3.960 0.000 0.000 0.242 211 G HA3 0.175 4.135 3.960 0.000 0.000 0.242 211 G C 0.532 175.372 174.900 -0.100 0.000 1.266 211 G CA -0.395 44.608 45.100 -0.162 0.000 0.844 211 G HN 0.512 nan 8.290 nan 0.000 0.571 212 L N 1.204 122.380 121.223 -0.078 0.000 2.638 212 L HA 0.158 4.499 4.340 0.000 0.000 0.232 212 L C 1.457 178.308 176.870 -0.032 0.000 1.099 212 L CA 0.066 54.877 54.840 -0.047 0.000 0.883 212 L CB -0.023 42.009 42.059 -0.044 0.000 1.136 212 L HN 0.576 nan 8.230 nan 0.000 0.492 213 S N 0.049 115.728 115.700 -0.034 0.000 2.693 213 S HA 0.622 5.092 4.470 0.000 0.000 0.276 213 S C -0.103 174.486 174.600 -0.019 0.000 1.192 213 S CA -0.858 57.328 58.200 -0.023 0.000 0.994 213 S CB 1.831 65.017 63.200 -0.023 0.000 1.012 213 S HN 0.046 nan 8.310 nan 0.000 0.550 214 R N 0.572 121.064 120.500 -0.013 0.000 2.686 214 R HA 0.505 4.845 4.340 0.000 0.000 0.283 214 R C -0.871 175.425 176.300 -0.005 0.000 0.978 214 R CA -0.632 55.462 56.100 -0.009 0.000 0.897 214 R CB 1.581 31.875 30.300 -0.010 0.000 1.192 214 R HN 0.616 nan 8.270 nan 0.000 0.457 215 R N 2.578 123.078 120.500 -0.001 0.000 2.393 215 R HA 0.460 4.801 4.340 0.000 0.000 0.315 215 R C -0.184 176.120 176.300 0.007 0.000 0.952 215 R CA -0.764 55.337 56.100 0.002 0.000 0.842 215 R CB 1.340 31.642 30.300 0.004 0.000 1.163 215 R HN 0.573 nan 8.270 nan 0.000 0.450 216 I N 5.728 126.302 120.570 0.006 0.000 2.471 216 I HA 0.175 4.346 4.170 0.000 0.000 0.286 216 I C 0.089 176.215 176.117 0.014 0.000 1.079 216 I CA 0.104 61.409 61.300 0.010 0.000 1.398 216 I CB 0.567 38.570 38.000 0.005 0.000 1.403 216 I HN 0.289 nan 8.210 nan 0.000 0.530 217 L N 7.579 128.815 121.223 0.022 0.000 2.354 217 L HA 0.534 4.874 4.340 0.000 0.000 0.264 217 L C -2.392 174.497 176.870 0.032 0.000 1.008 217 L CA -2.133 52.722 54.840 0.025 0.000 0.819 217 L CB 1.642 43.718 42.059 0.028 0.000 1.339 217 L HN 0.307 nan 8.230 nan 0.000 0.420 218 P HA 0.017 nan 4.420 nan 0.000 0.263 218 P C 0.175 177.506 177.300 0.053 0.000 1.195 218 P CA 0.087 63.208 63.100 0.036 0.000 0.762 218 P CB 0.781 32.500 31.700 0.031 0.000 0.799 219 E N 3.210 123.449 120.200 0.066 0.000 2.072 219 E HA -0.269 4.081 4.350 0.000 0.000 0.218 219 E C 2.269 178.937 176.600 0.114 0.000 1.051 219 E CA 2.600 59.064 56.400 0.107 0.000 0.880 219 E CB -1.055 28.716 29.700 0.118 0.000 0.783 219 E HN 0.656 nan 8.360 nan 0.000 0.473 220 G N 0.042 108.899 108.800 0.096 0.000 2.505 220 G HA2 -0.409 3.551 3.960 0.000 0.000 0.220 220 G HA3 -0.409 3.551 3.960 0.000 0.000 0.220 220 G C 1.499 176.433 174.900 0.057 0.000 1.145 220 G CA 1.235 46.383 45.100 0.079 0.000 0.761 220 G HN 0.440 nan 8.290 nan 0.000 0.571 221 E N 0.448 120.677 120.200 0.049 0.000 2.077 221 E HA -0.019 4.331 4.350 0.000 0.000 0.193 221 E C 2.800 179.421 176.600 0.036 0.000 0.989 221 E CA 1.021 57.443 56.400 0.036 0.000 0.800 221 E CB -0.296 29.422 29.700 0.031 0.000 0.746 221 E HN 0.345 nan 8.360 nan 0.000 0.452 222 A N 0.585 123.434 122.820 0.048 0.000 1.883 222 A HA -0.161 4.159 4.320 0.000 0.000 0.217 222 A C 2.421 180.027 177.584 0.035 0.000 1.186 222 A CA 1.659 53.725 52.037 0.047 0.000 0.624 222 A CB -0.779 18.263 19.000 0.069 0.000 0.822 222 A HN 0.239 nan 8.150 nan 0.000 0.444 223 V N -0.244 119.693 119.914 0.038 0.000 2.343 223 V HA -0.231 3.889 4.120 0.000 0.000 0.247 223 V C 3.029 179.114 176.094 -0.016 0.000 1.051 223 V CA 1.952 64.245 62.300 -0.010 0.000 1.036 223 V CB -1.218 30.588 31.823 -0.027 0.000 0.654 223 V HN 0.619 nan 8.190 nan 0.000 0.451 224 A N -0.137 122.684 122.820 0.002 0.000 1.969 224 A HA -0.026 4.294 4.320 0.000 0.000 0.218 224 A C 2.391 179.975 177.584 0.001 0.000 1.169 224 A CA 1.810 53.847 52.037 0.000 0.000 0.635 224 A CB -0.625 18.380 19.000 0.009 0.000 0.810 224 A HN 0.555 nan 8.150 nan 0.000 0.445 225 A N -0.560 122.264 122.820 0.007 0.000 1.930 225 A HA 0.036 4.357 4.320 0.000 0.000 0.217 225 A C 2.186 179.772 177.584 0.003 0.000 1.175 225 A CA 1.659 53.700 52.037 0.007 0.000 0.627 225 A CB -0.771 18.236 19.000 0.012 0.000 0.815 225 A HN 0.347 nan 8.150 nan 0.000 0.443 226 V N 0.085 120.001 119.914 0.003 0.000 2.358 226 V HA -0.213 3.907 4.120 0.000 0.000 0.246 226 V C 2.678 178.774 176.094 0.002 0.000 1.047 226 V CA 2.292 64.597 62.300 0.007 0.000 1.035 226 V CB -0.766 31.060 31.823 0.006 0.000 0.658 226 V HN 0.647 nan 8.190 nan 0.000 0.452 227 R N 1.271 121.766 120.500 -0.009 0.000 2.073 227 R HA -0.069 4.272 4.340 0.000 0.000 0.234 227 R C 2.150 178.442 176.300 -0.014 0.000 1.134 227 R CA 2.014 58.107 56.100 -0.012 0.000 0.952 227 R CB -1.070 29.220 30.300 -0.017 0.000 0.850 227 R HN 0.413 nan 8.270 nan 0.000 0.433 228 A N 0.359 123.173 122.820 -0.010 0.000 1.877 228 A HA -0.043 4.278 4.320 0.000 0.000 0.216 228 A C 2.411 179.984 177.584 -0.018 0.000 1.186 228 A CA 1.976 54.006 52.037 -0.011 0.000 0.620 228 A CB -1.187 17.809 19.000 -0.005 0.000 0.822 228 A HN 0.501 nan 8.150 nan 0.000 0.443 229 A N -0.723 122.087 122.820 -0.017 0.000 1.902 229 A HA -0.024 4.297 4.320 0.000 0.000 0.217 229 A C 2.139 179.695 177.584 -0.047 0.000 1.181 229 A CA 1.751 53.773 52.037 -0.025 0.000 0.623 229 A CB -0.620 18.370 19.000 -0.016 0.000 0.818 229 A HN 0.632 nan 8.150 nan 0.000 0.443 230 L N -0.033 121.160 121.223 -0.049 0.000 2.017 230 L HA -0.139 4.201 4.340 0.000 0.000 0.208 230 L C 2.260 179.072 176.870 -0.097 0.000 1.073 230 L CA 2.192 56.972 54.840 -0.099 0.000 0.745 230 L CB -0.668 41.339 42.059 -0.087 0.000 0.894 230 L HN 0.383 nan 8.230 nan 0.000 0.432 231 E N -0.101 120.064 120.200 -0.059 0.000 2.085 231 E HA -0.302 4.049 4.350 0.000 0.000 0.194 231 E C 2.181 178.750 176.600 -0.052 0.000 0.994 231 E CA 1.504 57.875 56.400 -0.048 0.000 0.801 231 E CB -0.187 29.497 29.700 -0.026 0.000 0.743 231 E HN 0.546 nan 8.360 nan 0.000 0.453 232 K N 0.586 120.957 120.400 -0.048 0.000 2.025 232 K HA -0.075 4.245 4.320 0.000 0.000 0.207 232 K C 2.155 178.715 176.600 -0.068 0.000 1.049 232 K CA 1.188 57.449 56.287 -0.043 0.000 0.933 232 K CB -0.109 32.374 32.500 -0.028 0.000 0.714 232 K HN 0.049 nan 8.250 nan 0.000 0.438 233 A N 0.615 123.379 122.820 -0.093 0.000 1.940 233 A HA -0.120 4.200 4.320 0.000 0.000 0.219 233 A C 2.218 179.684 177.584 -0.196 0.000 1.176 233 A CA 1.714 53.663 52.037 -0.147 0.000 0.631 233 A CB -0.610 18.301 19.000 -0.148 0.000 0.814 233 A HN 0.196 nan 8.150 nan 0.000 0.446 234 V N -0.372 119.448 119.914 -0.157 0.000 2.379 234 V HA -0.185 3.935 4.120 0.000 0.000 0.245 234 V C 3.051 179.082 176.094 -0.104 0.000 1.044 234 V CA 1.752 63.967 62.300 -0.142 0.000 1.036 234 V CB -1.169 30.586 31.823 -0.112 0.000 0.664 234 V HN 0.611 nan 8.190 nan 0.000 0.453 235 A N -0.733 122.042 122.820 -0.075 0.000 1.940 235 A HA -0.315 4.005 4.320 0.000 0.000 0.219 235 A C 2.149 179.713 177.584 -0.034 0.000 1.176 235 A CA 2.053 54.064 52.037 -0.043 0.000 0.631 235 A CB -0.521 18.461 19.000 -0.030 0.000 0.814 235 A HN 0.628 nan 8.150 nan 0.000 0.446 236 Q N -0.990 118.777 119.800 -0.055 0.000 2.226 236 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 236 Q C 1.935 177.926 176.000 -0.016 0.000 0.975 236 Q CA 1.231 57.027 55.803 -0.012 0.000 0.866 236 Q CB -0.066 28.662 28.738 -0.016 0.000 0.915 236 Q HN 0.628 nan 8.270 nan 0.000 0.440 237 R N -0.410 119.998 120.500 -0.153 0.000 2.317 237 R HA 0.126 4.466 4.340 0.000 0.000 0.208 237 R C -0.288 176.035 176.300 0.038 0.000 0.914 237 R CA -0.049 55.990 56.100 -0.102 0.000 1.060 237 R CB 0.762 30.908 30.300 -0.258 0.000 1.015 237 R HN -0.047 nan 8.270 nan 0.000 0.498 238 V N 1.674 121.601 119.914 0.021 0.000 2.394 238 V HA 0.155 4.275 4.120 0.000 0.000 0.282 238 V C 0.205 176.327 176.094 0.046 0.000 1.031 238 V CA -0.560 61.762 62.300 0.036 0.000 0.881 238 V CB 1.761 33.589 31.823 0.008 0.000 0.982 238 V HN 0.087 nan 8.190 nan 0.000 0.451 239 T N 7.928 122.515 114.554 0.055 0.000 2.794 239 T HA 0.246 4.596 4.350 0.000 0.000 0.296 239 T C -2.268 172.447 174.700 0.025 0.000 0.949 239 T CA -0.766 61.360 62.100 0.043 0.000 1.101 239 T CB 0.864 69.758 68.868 0.044 0.000 0.905 239 T HN 0.547 nan 8.240 nan 0.000 0.516 240 P HA 0.215 nan 4.420 nan 0.000 0.267 240 P C 0.901 178.204 177.300 0.006 0.000 1.209 240 P CA 0.297 63.402 63.100 0.007 0.000 0.763 240 P CB 0.619 32.321 31.700 0.004 0.000 0.816 241 G N 2.331 111.133 108.800 0.003 0.000 2.195 241 G HA2 -0.193 3.768 3.960 0.000 0.000 0.224 241 G HA3 -0.193 3.768 3.960 0.000 0.000 0.224 241 G C -0.253 174.654 174.900 0.010 0.000 0.990 241 G CA 0.175 45.278 45.100 0.004 0.000 0.639 241 G HN 0.697 nan 8.290 nan 0.000 0.514 242 D N 0.431 120.841 120.400 0.016 0.000 2.502 242 D HA 0.595 5.235 4.640 0.000 0.000 0.249 242 D C 0.022 176.339 176.300 0.027 0.000 1.092 242 D CA -0.199 53.818 54.000 0.027 0.000 0.839 242 D CB 1.238 42.062 40.800 0.039 0.000 1.264 242 D HN -0.038 nan 8.370 nan 0.000 0.511 243 T N 5.742 120.314 114.554 0.029 0.000 2.761 243 T HA 0.347 4.697 4.350 0.000 0.000 0.296 243 T C -2.170 172.558 174.700 0.047 0.000 0.934 243 T CA -0.920 61.197 62.100 0.029 0.000 1.091 243 T CB 1.181 70.067 68.868 0.029 0.000 0.896 243 T HN 0.360 nan 8.240 nan 0.000 0.515 244 P HA 0.404 nan 4.420 nan 0.000 0.278 244 P C -1.005 176.333 177.300 0.064 0.000 1.266 244 P CA -0.843 62.294 63.100 0.061 0.000 0.807 244 P CB 0.950 32.682 31.700 0.054 0.000 1.094 245 L N 1.138 122.400 121.223 0.066 0.000 2.322 245 L HA 0.434 4.774 4.340 0.000 0.000 0.281 245 L C -0.977 175.931 176.870 0.064 0.000 1.014 245 L CA -0.668 54.210 54.840 0.064 0.000 0.815 245 L CB 1.545 43.635 42.059 0.051 0.000 1.247 245 L HN 0.041 nan 8.230 nan 0.000 0.421 246 V N 5.524 125.483 119.914 0.076 0.000 2.417 246 V HA 0.378 4.498 4.120 0.000 0.000 0.291 246 V C -0.323 175.831 176.094 0.100 0.000 1.024 246 V CA -0.847 61.502 62.300 0.081 0.000 0.861 246 V CB 1.933 33.803 31.823 0.078 0.000 0.985 246 V HN 0.600 nan 8.190 nan 0.000 0.436 247 V N 4.496 124.476 119.914 0.110 0.000 2.439 247 V HA 0.493 4.613 4.120 0.000 0.000 0.271 247 V C -0.320 175.846 176.094 0.119 0.000 1.040 247 V CA -0.247 62.121 62.300 0.113 0.000 1.002 247 V CB 0.712 32.606 31.823 0.119 0.000 1.000 247 V HN 0.621 nan 8.190 nan 0.000 0.477 248 L N 4.861 126.164 121.223 0.134 0.000 2.317 248 L HA 0.811 5.151 4.340 0.000 0.000 0.281 248 L C 0.218 177.167 176.870 0.131 0.000 1.024 248 L CA 0.598 55.514 54.840 0.126 0.000 0.810 248 L CB 1.870 43.998 42.059 0.115 0.000 1.240 248 L HN 0.935 nan 8.230 nan 0.000 0.427 249 S N 2.089 117.845 115.700 0.094 0.000 2.801 249 S HA 0.670 5.140 4.470 0.000 0.000 0.312 249 S C 0.887 175.521 174.600 0.056 0.000 1.112 249 S CA -0.059 58.188 58.200 0.079 0.000 0.943 249 S CB 1.146 64.377 63.200 0.052 0.000 1.269 249 S HN 0.826 nan 8.310 nan 0.000 0.558 250 G N -0.203 108.619 108.800 0.038 0.000 2.777 250 G HA2 0.349 4.309 3.960 0.000 0.000 0.211 250 G HA3 0.349 4.309 3.960 0.000 0.000 0.211 250 G C 0.640 175.544 174.900 0.006 0.000 1.149 250 G CA 0.278 45.391 45.100 0.021 0.000 0.785 250 G HN 0.879 nan 8.290 nan 0.000 0.536 251 G N -0.020 108.783 108.800 0.006 0.000 2.599 251 G HA2 0.328 4.288 3.960 0.000 0.000 0.264 251 G HA3 0.328 4.288 3.960 0.000 0.000 0.264 251 G C 0.768 175.666 174.900 -0.004 0.000 1.200 251 G CA -0.499 44.597 45.100 -0.007 0.000 0.896 251 G HN 0.014 nan 8.290 nan 0.000 0.536 252 I N -0.122 120.437 120.570 -0.018 0.000 2.394 252 I HA -0.073 4.097 4.170 0.000 0.000 0.251 252 I C 1.959 178.086 176.117 0.017 0.000 1.136 252 I CA 1.202 62.493 61.300 -0.015 0.000 1.425 252 I CB -0.212 37.765 38.000 -0.038 0.000 1.079 252 I HN 0.461 nan 8.210 nan 0.000 0.425 253 D N 0.199 120.591 120.400 -0.013 0.000 2.088 253 D HA -0.198 4.442 4.640 0.000 0.000 0.191 253 D C 2.454 178.888 176.300 0.224 0.000 0.992 253 D CA 2.208 56.221 54.000 0.020 0.000 0.831 253 D CB -0.734 40.005 40.800 -0.103 0.000 0.973 253 D HN 0.484 nan 8.370 nan 0.000 0.447 254 S N -0.002 115.783 115.700 0.141 0.000 2.402 254 S HA -0.070 4.400 4.470 0.000 0.000 0.229 254 S C 2.127 176.791 174.600 0.106 0.000 1.021 254 S CA 1.128 59.415 58.200 0.145 0.000 0.974 254 S CB -0.293 62.974 63.200 0.110 0.000 0.800 254 S HN 0.040 nan 8.310 nan 0.000 0.484 255 S N 1.957 117.701 115.700 0.074 0.000 2.368 255 S HA 0.050 4.520 4.470 0.000 0.000 0.225 255 S C 2.155 176.786 174.600 0.051 0.000 1.030 255 S CA 1.122 59.346 58.200 0.040 0.000 0.999 255 S CB -1.145 62.059 63.200 0.007 0.000 0.844 255 S HN 0.759 nan 8.310 nan 0.000 0.459 256 G N 1.254 110.106 108.800 0.087 0.000 2.418 256 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 256 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 256 G C 1.453 176.387 174.900 0.057 0.000 1.158 256 G CA 0.929 46.083 45.100 0.090 0.000 0.771 256 G HN 0.416 nan 8.290 nan 0.000 0.545 257 V N 1.470 121.423 119.914 0.064 0.000 2.407 257 V HA -0.119 4.001 4.120 0.000 0.000 0.248 257 V C 3.312 179.417 176.094 0.019 0.000 1.055 257 V CA 1.971 64.263 62.300 -0.014 0.000 1.049 257 V CB -0.702 31.119 31.823 -0.003 0.000 0.662 257 V HN 0.481 nan 8.190 nan 0.000 0.455 258 A N -0.041 122.808 122.820 0.048 0.000 1.902 258 A HA -0.130 4.191 4.320 0.000 0.000 0.217 258 A C 2.432 180.061 177.584 0.074 0.000 1.181 258 A CA 2.083 54.156 52.037 0.059 0.000 0.623 258 A CB -0.775 18.256 19.000 0.052 0.000 0.818 258 A HN 0.568 nan 8.150 nan 0.000 0.443 259 A N -1.018 121.837 122.820 0.059 0.000 1.902 259 A HA -0.176 4.144 4.320 0.000 0.000 0.217 259 A C 2.314 179.947 177.584 0.081 0.000 1.181 259 A CA 1.741 53.822 52.037 0.073 0.000 0.623 259 A CB -1.242 17.788 19.000 0.050 0.000 0.818 259 A HN 0.605 nan 8.150 nan 0.000 0.443 260 C N -1.171 118.154 119.300 0.040 0.000 2.446 260 C HA 0.131 4.591 4.460 0.000 0.000 0.277 260 C C 3.321 178.324 174.990 0.022 0.000 1.275 260 C CA 0.646 59.673 59.018 0.016 0.000 1.727 260 C CB -1.275 26.447 27.740 -0.030 0.000 2.010 260 C HN 0.704 nan 8.230 nan 0.000 0.486 261 A N -0.320 122.518 122.820 0.029 0.000 1.933 261 A HA -0.240 4.080 4.320 0.000 0.000 0.218 261 A C 2.131 179.742 177.584 0.045 0.000 1.175 261 A CA 1.812 53.865 52.037 0.027 0.000 0.628 261 A CB -1.033 17.988 19.000 0.033 0.000 0.814 261 A HN 0.805 nan 8.150 nan 0.000 0.444 262 H N -0.272 118.802 119.070 0.007 0.000 2.387 262 H HA -0.080 4.476 4.556 0.000 0.000 0.299 262 H C 2.270 177.600 175.328 0.005 0.000 1.090 262 H CA 1.710 57.764 56.048 0.010 0.000 1.332 262 H CB -0.139 29.631 29.762 0.015 0.000 1.386 262 H HN 0.497 nan 8.280 nan 0.000 0.516 263 R N 0.354 120.879 120.500 0.041 0.000 2.075 263 R HA -0.075 4.265 4.340 0.000 0.000 0.232 263 R C 2.364 178.627 176.300 -0.062 0.000 1.126 263 R CA 1.145 57.242 56.100 -0.006 0.000 0.963 263 R CB -0.212 30.112 30.300 0.041 0.000 0.858 263 R HN 0.333 nan 8.270 nan 0.000 0.435 264 A N 0.234 123.027 122.820 -0.046 0.000 1.929 264 A HA 0.025 4.345 4.320 0.000 0.000 0.216 264 A C 2.078 179.626 177.584 -0.061 0.000 1.176 264 A CA 1.454 53.465 52.037 -0.044 0.000 0.628 264 A CB -0.288 18.694 19.000 -0.029 0.000 0.816 264 A HN 0.485 nan 8.150 nan 0.000 0.444 265 A N -2.554 120.214 122.820 -0.088 0.000 2.220 265 A HA 0.438 4.758 4.320 0.000 0.000 0.211 265 A C 1.903 179.402 177.584 -0.142 0.000 1.176 265 A CA 1.159 53.144 52.037 -0.087 0.000 0.834 265 A CB -0.498 18.469 19.000 -0.054 0.000 0.868 265 A HN 1.776 nan 8.150 nan 0.000 0.488 266 G N -0.378 108.266 108.800 -0.260 0.000 2.267 266 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 266 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 266 G C 0.004 174.662 174.900 -0.402 0.000 0.998 266 G CA 0.800 45.721 45.100 -0.299 0.000 0.620 266 G HN 1.180 nan 8.290 nan 0.000 0.529 267 E N -1.623 118.379 120.200 -0.330 0.000 2.429 267 E HA 0.799 5.149 4.350 0.000 0.000 0.280 267 E C -1.445 175.165 176.600 0.018 0.000 1.068 267 E CA -1.221 55.114 56.400 -0.108 0.000 0.837 267 E CB 1.773 31.468 29.700 -0.007 0.000 1.357 267 E HN 0.847 nan 8.360 nan 0.000 0.455 268 L N 0.494 121.811 121.223 0.157 0.000 2.582 268 L HA 0.555 4.895 4.340 0.000 0.000 0.257 268 L C -2.122 174.815 176.870 0.112 0.000 0.974 268 L CA -0.308 54.612 54.840 0.134 0.000 0.851 268 L CB 2.436 44.609 42.059 0.191 0.000 1.424 268 L HN 0.646 nan 8.230 nan 0.000 0.412 269 D N 1.044 121.500 120.400 0.093 0.000 2.248 269 D HA 0.797 5.437 4.640 0.000 0.000 0.246 269 D C -0.847 175.518 176.300 0.107 0.000 1.027 269 D CA 0.139 54.193 54.000 0.090 0.000 0.853 269 D CB 2.147 42.988 40.800 0.069 0.000 1.243 269 D HN 0.697 nan 8.370 nan 0.000 0.462 270 T N -2.098 112.546 114.554 0.150 0.000 2.903 270 T HA 0.728 5.078 4.350 0.000 0.000 0.299 270 T C -0.935 173.913 174.700 0.247 0.000 1.093 270 T CA -0.922 61.309 62.100 0.217 0.000 1.002 270 T CB 1.672 70.686 68.868 0.242 0.000 1.127 270 T HN 0.166 nan 8.240 nan 0.000 0.488 271 V N 0.801 120.820 119.914 0.175 0.000 2.888 271 V HA 0.792 4.912 4.120 0.000 0.000 0.309 271 V C -1.368 174.785 176.094 0.099 0.000 1.114 271 V CA -0.317 61.982 62.300 -0.002 0.000 0.940 271 V CB 2.418 34.221 31.823 -0.033 0.000 1.021 271 V HN 1.237 nan 8.190 nan 0.000 0.426 272 S N 6.953 122.676 115.700 0.039 0.000 2.536 272 S HA 0.690 5.160 4.470 0.000 0.000 0.287 272 S C -0.836 173.887 174.600 0.205 0.000 1.101 272 S CA -0.547 57.774 58.200 0.202 0.000 0.950 272 S CB 1.762 65.208 63.200 0.409 0.000 1.056 272 S HN 0.889 nan 8.310 nan 0.000 0.481 273 M N 2.448 122.184 119.600 0.225 0.000 2.528 273 M HA 0.746 5.227 4.480 0.000 0.000 0.321 273 M C -0.503 175.915 176.300 0.196 0.000 1.153 273 M CA -0.217 55.202 55.300 0.199 0.000 0.951 273 M CB 1.486 34.114 32.600 0.047 0.000 1.705 273 M HN 0.866 nan 8.290 nan 0.000 0.451 274 G N 1.556 110.460 108.800 0.174 0.000 2.694 274 G HA2 0.696 4.657 3.960 0.000 0.000 0.290 274 G HA3 0.696 4.657 3.960 0.000 0.000 0.290 274 G C -1.100 173.778 174.900 -0.037 0.000 1.386 274 G CA -0.408 44.613 45.100 -0.131 0.000 0.872 274 G HN 0.829 nan 8.290 nan 0.000 0.475 275 T N -2.585 111.912 114.554 -0.096 0.000 2.905 275 T HA 0.472 4.822 4.350 0.000 0.000 0.283 275 T C 0.584 175.261 174.700 -0.038 0.000 1.031 275 T CA 0.133 62.209 62.100 -0.040 0.000 1.002 275 T CB 1.970 70.816 68.868 -0.038 0.000 1.200 275 T HN 0.490 nan 8.240 nan 0.000 0.560 276 D N -0.283 120.108 120.400 -0.014 0.000 2.378 276 D HA -0.042 4.598 4.640 0.000 0.000 0.227 276 D C 1.528 177.816 176.300 -0.019 0.000 1.012 276 D CA 1.066 55.061 54.000 -0.007 0.000 0.905 276 D CB -0.474 40.328 40.800 0.003 0.000 0.895 276 D HN 0.722 nan 8.370 nan 0.000 0.532 277 T N -3.069 111.465 114.554 -0.034 0.000 3.056 277 T HA 0.160 4.510 4.350 0.000 0.000 0.243 277 T C 0.893 175.559 174.700 -0.057 0.000 0.995 277 T CA 0.416 62.495 62.100 -0.034 0.000 1.091 277 T CB 0.194 69.048 68.868 -0.023 0.000 0.990 277 T HN 0.218 nan 8.240 nan 0.000 0.464 278 S N 1.300 116.947 115.700 -0.088 0.000 2.570 278 S HA 0.731 5.201 4.470 0.000 0.000 0.270 278 S C -1.637 172.827 174.600 -0.227 0.000 1.149 278 S CA -0.716 57.409 58.200 -0.125 0.000 0.837 278 S CB 2.275 65.423 63.200 -0.085 0.000 1.124 278 S HN 0.909 nan 8.310 nan 0.000 0.465 279 N N -0.486 118.035 118.700 -0.297 0.000 3.127 279 N HA 0.344 5.085 4.740 0.000 0.000 0.239 279 N C -1.664 173.637 175.510 -0.349 0.000 1.407 279 N CA -0.864 51.873 53.050 -0.522 0.000 0.891 279 N CB 0.820 38.563 38.487 -1.240 0.000 1.447 279 N HN 0.661 nan 8.380 nan 0.000 0.507 280 E N -0.182 119.850 120.200 -0.281 0.000 2.989 280 E HA 0.294 4.644 4.350 0.000 0.000 0.207 280 E C -0.168 176.494 176.600 0.104 0.000 0.989 280 E CA -0.331 56.033 56.400 -0.061 0.000 1.186 280 E CB -0.104 29.590 29.700 -0.010 0.000 1.141 280 E HN 0.491 nan 8.360 nan 0.000 0.454 281 F N 0.796 120.771 119.950 0.042 0.000 2.126 281 F HA -0.220 4.307 4.527 0.000 0.000 0.299 281 F C 2.693 178.521 175.800 0.046 0.000 1.096 281 F CA 0.749 58.788 58.000 0.065 0.000 1.255 281 F CB 0.040 39.076 39.000 0.059 0.000 0.997 281 F HN 0.136 nan 8.300 nan 0.000 0.479 282 R N 0.885 121.514 120.500 0.217 0.000 2.081 282 R HA -0.179 4.161 4.340 0.000 0.000 0.235 282 R C 1.874 178.218 176.300 0.073 0.000 1.131 282 R CA 1.836 58.007 56.100 0.118 0.000 0.960 282 R CB -0.129 30.218 30.300 0.078 0.000 0.856 282 R HN 0.165 nan 8.270 nan 0.000 0.436 283 E N 0.436 120.674 120.200 0.064 0.000 2.051 283 E HA -0.139 4.211 4.350 0.000 0.000 0.192 283 E C 1.859 178.472 176.600 0.022 0.000 0.991 283 E CA 1.616 58.035 56.400 0.032 0.000 0.799 283 E CB -0.286 29.428 29.700 0.024 0.000 0.748 283 E HN 0.473 nan 8.360 nan 0.000 0.449 284 A N 0.941 123.790 122.820 0.049 0.000 1.933 284 A HA -0.181 4.139 4.320 0.000 0.000 0.218 284 A C 2.022 179.546 177.584 -0.100 0.000 1.175 284 A CA 1.428 53.462 52.037 -0.006 0.000 0.628 284 A CB -0.386 18.652 19.000 0.064 0.000 0.814 284 A HN 0.076 nan 8.150 nan 0.000 0.444 285 R N -0.477 119.993 120.500 -0.050 0.000 2.127 285 R HA -0.131 4.209 4.340 0.000 0.000 0.238 285 R C 2.383 178.651 176.300 -0.053 0.000 1.134 285 R CA 1.084 57.140 56.100 -0.074 0.000 0.975 285 R CB -0.469 29.835 30.300 0.007 0.000 0.865 285 R HN 0.538 nan 8.270 nan 0.000 0.447 286 A N 0.549 123.352 122.820 -0.027 0.000 1.933 286 A HA -0.116 4.204 4.320 0.000 0.000 0.218 286 A C 2.295 179.870 177.584 -0.016 0.000 1.175 286 A CA 1.398 53.425 52.037 -0.015 0.000 0.628 286 A CB -0.324 18.665 19.000 -0.019 0.000 0.814 286 A HN 0.128 nan 8.150 nan 0.000 0.444 287 V N -0.721 119.166 119.914 -0.045 0.000 2.488 287 V HA -0.151 3.969 4.120 0.000 0.000 0.246 287 V C 2.536 178.605 176.094 -0.041 0.000 1.046 287 V CA 1.526 63.805 62.300 -0.035 0.000 1.053 287 V CB -0.437 31.354 31.823 -0.053 0.000 0.679 287 V HN 0.352 nan 8.190 nan 0.000 0.458 288 V N 0.498 120.340 119.914 -0.120 0.000 2.287 288 V HA -0.280 3.841 4.120 0.000 0.000 0.248 288 V C 2.295 178.347 176.094 -0.071 0.000 1.053 288 V CA 2.360 64.570 62.300 -0.150 0.000 1.027 288 V CB -0.649 31.002 31.823 -0.287 0.000 0.646 288 V HN 0.575 nan 8.190 nan 0.000 0.447 289 D N -1.281 119.094 120.400 -0.041 0.000 2.144 289 D HA -0.169 4.471 4.640 0.000 0.000 0.200 289 D C 2.035 178.326 176.300 -0.015 0.000 0.978 289 D CA 1.618 55.606 54.000 -0.020 0.000 0.833 289 D CB -0.326 40.472 40.800 -0.003 0.000 0.961 289 D HN 0.617 nan 8.370 nan 0.000 0.470 290 H N 0.421 119.443 119.070 -0.081 0.000 2.353 290 H HA 0.015 4.571 4.556 0.000 0.000 0.300 290 H C 1.949 177.197 175.328 -0.133 0.000 1.090 290 H CA 1.285 57.282 56.048 -0.086 0.000 1.327 290 H CB -0.103 29.613 29.762 -0.076 0.000 1.383 290 H HN 0.046 nan 8.280 nan 0.000 0.508 291 L N -0.797 120.359 121.223 -0.111 0.000 2.529 291 L HA 0.129 4.469 4.340 0.000 0.000 0.223 291 L C 0.353 177.033 176.870 -0.317 0.000 1.113 291 L CA 0.035 54.683 54.840 -0.321 0.000 0.861 291 L CB 0.278 42.171 42.059 -0.277 0.000 1.012 291 L HN 0.171 nan 8.230 nan 0.000 0.461 292 R N 1.517 121.927 120.500 -0.150 0.000 3.201 292 R HA -0.114 4.226 4.340 0.000 0.000 0.254 292 R C 0.224 176.511 176.300 -0.021 0.000 0.978 292 R CA 0.917 56.973 56.100 -0.073 0.000 0.661 292 R CB -2.513 27.750 30.300 -0.062 0.000 1.170 292 R HN 0.496 nan 8.270 nan 0.000 0.430 293 T N -2.814 111.733 114.554 -0.011 0.000 2.927 293 T HA 0.502 4.852 4.350 0.000 0.000 0.281 293 T C 0.534 175.275 174.700 0.068 0.000 0.998 293 T CA -0.978 61.151 62.100 0.048 0.000 1.019 293 T CB 2.169 71.066 68.868 0.048 0.000 1.061 293 T HN 0.394 nan 8.240 nan 0.000 0.518 294 R N 1.494 122.046 120.500 0.087 0.000 2.220 294 R HA 0.210 4.550 4.340 0.000 0.000 0.340 294 R C -0.247 176.129 176.300 0.127 0.000 1.076 294 R CA -0.452 55.697 56.100 0.083 0.000 0.920 294 R CB -0.191 30.145 30.300 0.061 0.000 1.062 294 R HN 0.843 nan 8.270 nan 0.000 0.469 295 H N 3.866 122.932 119.070 -0.007 0.000 2.499 295 H HA 0.405 4.961 4.556 0.000 0.000 0.340 295 H C -0.996 174.305 175.328 -0.045 0.000 1.148 295 H CA -0.980 55.055 56.048 -0.022 0.000 1.215 295 H CB 1.443 31.189 29.762 -0.028 0.000 1.529 295 H HN 0.516 nan 8.280 nan 0.000 0.510 296 R N 3.168 123.321 120.500 -0.578 0.000 2.628 296 R HA 0.245 4.585 4.340 0.000 0.000 0.288 296 R C -1.350 174.521 176.300 -0.714 0.000 0.980 296 R CA -0.641 55.172 56.100 -0.478 0.000 0.891 296 R CB 1.708 31.864 30.300 -0.241 0.000 1.188 296 R HN 0.705 nan 8.270 nan 0.000 0.450 297 E N 4.422 124.286 120.200 -0.560 0.000 2.171 297 E HA 0.386 4.737 4.350 0.000 0.000 0.271 297 E C -0.745 175.642 176.600 -0.355 0.000 0.916 297 E CA -0.616 55.406 56.400 -0.631 0.000 0.774 297 E CB 2.217 31.320 29.700 -0.995 0.000 1.128 297 E HN 0.430 nan 8.360 nan 0.000 0.403 298 I N 2.276 122.752 120.570 -0.158 0.000 2.418 298 I HA 0.251 4.422 4.170 0.000 0.000 0.287 298 I C -0.481 175.736 176.117 0.167 0.000 1.008 298 I CA -0.508 60.785 61.300 -0.012 0.000 1.104 298 I CB 2.110 40.100 38.000 -0.017 0.000 1.264 298 I HN 0.354 nan 8.210 nan 0.000 0.438 299 T N 7.353 121.994 114.554 0.145 0.000 2.779 299 T HA 0.665 5.015 4.350 0.000 0.000 0.280 299 T C -0.319 174.427 174.700 0.077 0.000 0.987 299 T CA -0.384 61.825 62.100 0.181 0.000 0.966 299 T CB 1.171 70.162 68.868 0.204 0.000 0.933 299 T HN 0.500 nan 8.240 nan 0.000 0.442 300 I N 0.930 121.531 120.570 0.051 0.000 2.533 300 I HA 0.656 4.826 4.170 0.000 0.000 0.290 300 I C -3.111 173.012 176.117 0.010 0.000 1.056 300 I CA -3.305 58.007 61.300 0.019 0.000 1.057 300 I CB 2.260 40.260 38.000 0.000 0.000 1.240 300 I HN 0.280 nan 8.210 nan 0.000 0.423 301 P HA 0.109 nan 4.420 nan 0.000 0.268 301 P C 0.604 177.903 177.300 -0.002 0.000 1.208 301 P CA -0.014 63.088 63.100 0.003 0.000 0.777 301 P CB 0.632 32.334 31.700 0.004 0.000 0.875 302 T N 0.230 114.783 114.554 -0.001 0.000 2.803 302 T HA -0.152 4.198 4.350 0.000 0.000 0.269 302 T C 1.665 176.366 174.700 0.002 0.000 1.052 302 T CA 2.216 64.316 62.100 0.000 0.000 1.136 302 T CB -0.931 67.941 68.868 0.006 0.000 0.864 302 T HN 0.646 nan 8.240 nan 0.000 0.467 303 T N 0.284 114.841 114.554 0.005 0.000 2.915 303 T HA -0.030 4.320 4.350 0.000 0.000 0.269 303 T C 1.766 176.466 174.700 -0.000 0.000 1.071 303 T CA 0.781 62.885 62.100 0.007 0.000 1.132 303 T CB -0.077 68.796 68.868 0.009 0.000 0.878 303 T HN 0.187 nan 8.240 nan 0.000 0.479 304 E N 0.753 120.949 120.200 -0.007 0.000 2.076 304 E HA 0.085 4.436 4.350 0.000 0.000 0.190 304 E C 2.121 178.704 176.600 -0.028 0.000 0.979 304 E CA 0.493 56.883 56.400 -0.017 0.000 0.807 304 E CB -0.399 29.290 29.700 -0.020 0.000 0.761 304 E HN 0.454 nan 8.360 nan 0.000 0.454 305 L N 0.839 122.046 121.223 -0.027 0.000 2.012 305 L HA -0.154 4.186 4.340 0.000 0.000 0.210 305 L C 2.252 179.092 176.870 -0.050 0.000 1.073 305 L CA 1.469 56.287 54.840 -0.037 0.000 0.748 305 L CB -0.400 41.642 42.059 -0.028 0.000 0.891 305 L HN 0.071 nan 8.230 nan 0.000 0.431 306 L N -0.607 120.589 121.223 -0.044 0.000 2.275 306 L HA -0.081 4.259 4.340 0.000 0.000 0.215 306 L C 2.521 179.353 176.870 -0.062 0.000 1.119 306 L CA 0.752 55.547 54.840 -0.076 0.000 0.790 306 L CB -0.754 41.285 42.059 -0.033 0.000 0.919 306 L HN 0.374 nan 8.230 nan 0.000 0.443 307 A N -0.813 121.994 122.820 -0.022 0.000 2.172 307 A HA -0.137 4.183 4.320 0.000 0.000 0.216 307 A C 2.049 179.669 177.584 0.059 0.000 1.154 307 A CA 0.843 52.889 52.037 0.014 0.000 0.701 307 A CB -0.163 18.847 19.000 0.017 0.000 0.789 307 A HN 0.368 nan 8.150 nan 0.000 0.465 308 Q N -0.346 119.464 119.800 0.016 0.000 2.472 308 Q HA 0.095 4.436 4.340 0.000 0.000 0.208 308 Q C 1.760 177.810 176.000 0.084 0.000 0.958 308 Q CA 0.223 56.067 55.803 0.069 0.000 0.932 308 Q CB -0.363 28.369 28.738 -0.009 0.000 1.007 308 Q HN 0.720 nan 8.270 nan 0.000 0.508 309 L N 1.619 122.824 121.223 -0.031 0.000 1.978 309 L HA -0.223 4.117 4.340 0.000 0.000 0.218 309 L C -0.357 176.497 176.870 -0.026 0.000 1.075 309 L CA 1.999 56.773 54.840 -0.110 0.000 0.767 309 L CB -1.784 40.141 42.059 -0.223 0.000 0.890 309 L HN 0.195 nan 8.230 nan 0.000 0.434 310 P HA -0.194 nan 4.420 nan 0.000 0.219 310 P C 1.258 178.507 177.300 -0.086 0.000 1.150 310 P CA 1.607 64.647 63.100 -0.100 0.000 0.814 310 P CB -0.064 31.503 31.700 -0.222 0.000 0.787 311 Y N 0.992 121.286 120.300 -0.010 0.000 2.200 311 Y HA -0.070 4.481 4.550 0.000 0.000 0.290 311 Y C 2.934 178.947 175.900 0.187 0.000 1.137 311 Y CA 1.475 59.644 58.100 0.114 0.000 1.163 311 Y CB -1.389 37.121 38.460 0.083 0.000 0.988 311 Y HN -0.046 nan 8.280 nan 0.000 0.518 312 A N -0.497 122.469 122.820 0.243 0.000 1.902 312 A HA -0.138 4.182 4.320 0.000 0.000 0.217 312 A C 2.346 180.010 177.584 0.133 0.000 1.181 312 A CA 1.953 54.082 52.037 0.153 0.000 0.623 312 A CB -1.147 17.898 19.000 0.075 0.000 0.818 312 A HN 0.248 nan 8.150 nan 0.000 0.443 313 V N -2.186 117.805 119.914 0.128 0.000 2.358 313 V HA -0.223 3.897 4.120 0.000 0.000 0.246 313 V C 2.179 178.375 176.094 0.170 0.000 1.047 313 V CA 1.726 64.113 62.300 0.146 0.000 1.035 313 V CB -0.950 30.953 31.823 0.134 0.000 0.658 313 V HN 0.867 nan 8.190 nan 0.000 0.452 314 W N 1.236 122.490 121.300 -0.077 0.000 2.358 314 W HA -0.189 4.471 4.660 0.000 0.000 0.303 314 W C 2.396 178.865 176.519 -0.084 0.000 1.208 314 W CA 2.132 59.392 57.345 -0.143 0.000 1.274 314 W CB -0.414 28.904 29.460 -0.236 0.000 1.138 314 W HN 0.189 nan 8.180 nan 0.000 0.515 315 A N -0.021 122.806 122.820 0.011 0.000 1.854 315 A HA -0.145 4.176 4.320 0.000 0.000 0.214 315 A C 2.139 179.658 177.584 -0.109 0.000 1.192 315 A CA 2.540 54.476 52.037 -0.169 0.000 0.611 315 A CB -1.449 17.545 19.000 -0.009 0.000 0.832 315 A HN 0.354 nan 8.150 nan 0.000 0.442 316 S N -1.025 114.670 115.700 -0.008 0.000 2.461 316 S HA -0.019 4.451 4.470 0.000 0.000 0.228 316 S C 0.593 175.229 174.600 0.061 0.000 1.005 316 S CA 0.975 59.183 58.200 0.013 0.000 0.942 316 S CB -0.403 62.818 63.200 0.035 0.000 0.776 316 S HN 0.581 nan 8.310 nan 0.000 0.514 317 E N 0.550 120.800 120.200 0.083 0.000 2.586 317 E HA -0.175 4.175 4.350 0.000 0.000 0.259 317 E C -0.279 176.505 176.600 0.306 0.000 1.107 317 E CA 0.661 57.176 56.400 0.192 0.000 0.754 317 E CB -1.911 27.829 29.700 0.066 0.000 1.335 317 E HN 0.534 nan 8.360 nan 0.000 0.411 318 S N -0.234 115.589 115.700 0.204 0.000 2.565 318 S HA 0.467 4.937 4.470 0.000 0.000 0.290 318 S C 0.684 175.326 174.600 0.071 0.000 1.150 318 S CA -0.178 58.088 58.200 0.110 0.000 1.058 318 S CB 1.867 65.114 63.200 0.078 0.000 1.032 318 S HN 0.400 nan 8.310 nan 0.000 0.510 319 V N 0.755 120.639 119.914 -0.051 0.000 3.427 319 V HA 0.435 4.555 4.120 0.000 0.000 0.305 319 V C 0.350 176.424 176.094 -0.033 0.000 1.412 319 V CA -0.344 61.901 62.300 -0.090 0.000 1.086 319 V CB -0.135 31.522 31.823 -0.278 0.000 0.964 319 V HN 0.795 nan 8.190 nan 0.000 0.439 320 D N 3.108 123.512 120.400 0.006 0.000 2.339 320 D HA 0.236 4.876 4.640 0.000 0.000 0.241 320 D C -1.253 175.069 176.300 0.038 0.000 1.183 320 D CA -1.509 52.510 54.000 0.031 0.000 0.859 320 D CB 2.413 43.250 40.800 0.061 0.000 1.067 320 D HN 0.189 nan 8.370 nan 0.000 0.484 321 P HA -0.152 nan 4.420 nan 0.000 0.216 321 P C 0.796 178.097 177.300 0.001 0.000 1.150 321 P CA 0.879 63.988 63.100 0.015 0.000 0.837 321 P CB 0.603 32.203 31.700 -0.166 0.000 0.786 322 D N -0.159 120.229 120.400 -0.019 0.000 2.117 322 D HA -0.115 4.525 4.640 0.000 0.000 0.197 322 D C 2.099 178.220 176.300 -0.298 0.000 0.987 322 D CA 0.952 54.870 54.000 -0.137 0.000 0.829 322 D CB -0.195 40.617 40.800 0.019 0.000 0.961 322 D HN 0.091 nan 8.370 nan 0.000 0.460 323 I N 1.544 122.118 120.570 0.008 0.000 2.202 323 I HA -0.204 3.966 4.170 0.000 0.000 0.242 323 I C 2.464 178.639 176.117 0.097 0.000 1.091 323 I CA 0.617 62.024 61.300 0.177 0.000 1.368 323 I CB -0.842 37.264 38.000 0.178 0.000 1.058 323 I HN 0.013 nan 8.210 nan 0.000 0.410 324 I N 0.903 121.500 120.570 0.046 0.000 2.248 324 I HA -0.273 3.897 4.170 0.000 0.000 0.248 324 I C 2.482 178.593 176.117 -0.009 0.000 1.107 324 I CA 1.378 62.697 61.300 0.031 0.000 1.373 324 I CB -1.146 36.872 38.000 0.029 0.000 1.055 324 I HN 0.371 nan 8.210 nan 0.000 0.418 325 E N -0.191 119.978 120.200 -0.052 0.000 2.077 325 E HA -0.223 4.127 4.350 0.000 0.000 0.193 325 E C 2.304 178.881 176.600 -0.039 0.000 0.989 325 E CA 1.226 57.583 56.400 -0.072 0.000 0.800 325 E CB -0.201 29.431 29.700 -0.114 0.000 0.746 325 E HN 0.558 nan 8.360 nan 0.000 0.452 326 Y N 0.452 120.806 120.300 0.091 0.000 2.274 326 Y HA -0.142 4.408 4.550 0.000 0.000 0.290 326 Y C 2.173 178.132 175.900 0.100 0.000 1.145 326 Y CA 0.318 58.482 58.100 0.107 0.000 1.203 326 Y CB 0.005 38.565 38.460 0.168 0.000 0.984 326 Y HN 0.024 nan 8.280 nan 0.000 0.533 327 L N -0.682 120.665 121.223 0.206 0.000 2.341 327 L HA -0.109 4.231 4.340 0.000 0.000 0.214 327 L C 2.017 178.913 176.870 0.045 0.000 1.115 327 L CA 0.307 55.213 54.840 0.110 0.000 0.820 327 L CB -0.391 41.716 42.059 0.081 0.000 0.944 327 L HN 0.323 nan 8.230 nan 0.000 0.452 328 L N 0.378 121.612 121.223 0.018 0.000 1.990 328 L HA -0.185 4.155 4.340 0.000 0.000 0.213 328 L C -0.057 176.793 176.870 -0.034 0.000 1.072 328 L CA 1.806 56.632 54.840 -0.024 0.000 0.755 328 L CB -1.897 40.124 42.059 -0.062 0.000 0.889 328 L HN 0.235 nan 8.230 nan 0.000 0.432 329 P HA -0.171 nan 4.420 nan 0.000 0.215 329 P C 1.952 179.176 177.300 -0.128 0.000 1.153 329 P CA 1.389 64.461 63.100 -0.047 0.000 0.853 329 P CB 0.069 31.766 31.700 -0.005 0.000 0.788 330 L N -1.527 119.605 121.223 -0.153 0.000 2.056 330 L HA -0.136 4.205 4.340 0.000 0.000 0.207 330 L C 2.318 178.867 176.870 -0.535 0.000 1.078 330 L CA 1.735 56.320 54.840 -0.425 0.000 0.749 330 L CB -1.673 40.235 42.059 -0.252 0.000 0.901 330 L HN 0.022 nan 8.230 nan 0.000 0.433 331 T N 0.160 114.621 114.554 -0.155 0.000 2.720 331 T HA -0.206 4.144 4.350 0.000 0.000 0.268 331 T C 2.004 176.666 174.700 -0.064 0.000 1.037 331 T CA 1.455 63.555 62.100 -0.000 0.000 1.144 331 T CB -0.244 68.660 68.868 0.059 0.000 0.864 331 T HN 0.455 nan 8.240 nan 0.000 0.444 332 A N 0.968 123.723 122.820 -0.109 0.000 1.898 332 A HA 0.079 4.399 4.320 0.000 0.000 0.216 332 A C 2.291 179.807 177.584 -0.113 0.000 1.181 332 A CA 1.081 53.058 52.037 -0.101 0.000 0.620 332 A CB -0.810 18.141 19.000 -0.082 0.000 0.819 332 A HN 0.493 nan 8.150 nan 0.000 0.442 333 L N -1.504 119.598 121.223 -0.202 0.000 2.017 333 L HA -0.199 4.142 4.340 0.000 0.000 0.208 333 L C 2.525 179.315 176.870 -0.134 0.000 1.073 333 L CA 1.771 56.487 54.840 -0.206 0.000 0.745 333 L CB -0.416 41.457 42.059 -0.311 0.000 0.894 333 L HN 0.498 nan 8.230 nan 0.000 0.432 334 Y N 0.268 120.549 120.300 -0.031 0.000 2.224 334 Y HA -0.203 4.347 4.550 0.000 0.000 0.289 334 Y C 2.724 178.645 175.900 0.036 0.000 1.146 334 Y CA 1.147 59.231 58.100 -0.027 0.000 1.182 334 Y CB -0.692 37.778 38.460 0.017 0.000 0.983 334 Y HN 0.169 nan 8.280 nan 0.000 0.524 335 R N -0.480 120.109 120.500 0.148 0.000 2.153 335 R HA 0.055 4.395 4.340 0.000 0.000 0.218 335 R C 2.311 178.644 176.300 0.055 0.000 1.072 335 R CA 0.824 56.977 56.100 0.089 0.000 0.990 335 R CB -0.338 29.948 30.300 -0.024 0.000 0.889 335 R HN 0.273 nan 8.270 nan 0.000 0.452 336 A N 1.182 124.014 122.820 0.020 0.000 2.119 336 A HA 0.085 4.405 4.320 0.000 0.000 0.216 336 A C 0.973 178.570 177.584 0.020 0.000 1.152 336 A CA 0.083 52.124 52.037 0.006 0.000 0.708 336 A CB -0.140 18.848 19.000 -0.020 0.000 0.805 336 A HN 0.098 nan 8.150 nan 0.000 0.460 337 L N 1.150 122.390 121.223 0.028 0.000 2.525 337 L HA 0.046 4.386 4.340 0.000 0.000 0.278 337 L C -0.629 176.292 176.870 0.085 0.000 1.218 337 L CA 0.076 54.923 54.840 0.012 0.000 0.878 337 L CB 0.090 42.068 42.059 -0.134 0.000 1.127 337 L HN 0.205 nan 8.230 nan 0.000 0.492 338 D N 1.241 121.675 120.400 0.057 0.000 2.248 338 D HA 0.720 5.361 4.640 0.000 0.000 0.246 338 D C 0.297 176.647 176.300 0.084 0.000 1.027 338 D CA 0.697 54.738 54.000 0.069 0.000 0.853 338 D CB 1.951 42.771 40.800 0.033 0.000 1.243 338 D HN 0.739 nan 8.370 nan 0.000 0.462 339 G N 1.808 110.663 108.800 0.091 0.000 2.447 339 G HA2 -0.061 3.899 3.960 0.000 0.000 0.220 339 G HA3 -0.061 3.899 3.960 0.000 0.000 0.220 339 G C -2.311 172.659 174.900 0.116 0.000 1.261 339 G CA -0.804 44.349 45.100 0.088 0.000 1.000 339 G HN 0.556 nan 8.290 nan 0.000 0.515 340 P HA 0.296 nan 4.420 nan 0.000 0.271 340 P C -0.294 177.100 177.300 0.157 0.000 1.233 340 P CA -0.042 63.120 63.100 0.102 0.000 0.789 340 P CB 0.329 32.080 31.700 0.086 0.000 0.951 341 E N 2.088 122.339 120.200 0.085 0.000 2.376 341 E HA 0.131 4.481 4.350 0.000 0.000 0.266 341 E C 0.330 177.072 176.600 0.237 0.000 1.009 341 E CA 0.019 56.446 56.400 0.045 0.000 0.902 341 E CB 0.419 30.131 29.700 0.020 0.000 0.972 341 E HN 0.314 nan 8.360 nan 0.000 0.439 342 R N 1.919 122.714 120.500 0.492 0.000 2.787 342 R HA 0.387 4.727 4.340 0.000 0.000 0.271 342 R C 0.198 176.666 176.300 0.280 0.000 0.993 342 R CA -1.016 55.274 56.100 0.317 0.000 0.993 342 R CB 1.369 31.801 30.300 0.219 0.000 1.155 342 R HN 0.491 nan 8.270 nan 0.000 0.486 343 R N 2.158 122.788 120.500 0.216 0.000 2.198 343 R HA 0.411 4.751 4.340 0.000 0.000 0.339 343 R C -0.569 175.818 176.300 0.145 0.000 1.020 343 R CA -0.196 56.051 56.100 0.245 0.000 0.864 343 R CB 0.216 30.648 30.300 0.221 0.000 1.105 343 R HN 0.527 nan 8.270 nan 0.000 0.463 344 I N 5.296 125.915 120.570 0.081 0.000 2.441 344 I HA 0.312 4.482 4.170 0.000 0.000 0.295 344 I C -0.844 175.236 176.117 -0.061 0.000 0.994 344 I CA -1.229 60.075 61.300 0.006 0.000 1.144 344 I CB 1.774 39.757 38.000 -0.028 0.000 1.314 344 I HN 0.448 nan 8.210 nan 0.000 0.445 345 L N 4.935 126.145 121.223 -0.021 0.000 2.346 345 L HA 0.611 4.952 4.340 0.000 0.000 0.276 345 L C 0.245 177.127 176.870 0.019 0.000 1.006 345 L CA -0.119 54.691 54.840 -0.049 0.000 0.817 345 L CB 2.086 44.128 42.059 -0.029 0.000 1.272 345 L HN 0.721 nan 8.230 nan 0.000 0.421 346 T N -1.625 112.960 114.554 0.052 0.000 2.907 346 T HA 0.650 5.000 4.350 0.000 0.000 0.290 346 T C 0.553 175.408 174.700 0.258 0.000 1.066 346 T CA -0.172 62.045 62.100 0.195 0.000 1.012 346 T CB 1.772 70.845 68.868 0.343 0.000 1.184 346 T HN 0.578 nan 8.240 nan 0.000 0.522 347 G N -0.358 108.624 108.800 0.303 0.000 3.434 347 G HA2 0.194 4.154 3.960 0.000 0.000 0.258 347 G HA3 0.194 4.154 3.960 0.000 0.000 0.258 347 G C -0.145 174.982 174.900 0.377 0.000 1.128 347 G CA -0.477 44.884 45.100 0.435 0.000 0.792 347 G HN 0.749 nan 8.290 nan 0.000 0.539 348 Y N 0.675 121.108 120.300 0.221 0.000 2.597 348 Y HA 0.326 4.876 4.550 0.000 0.000 0.336 348 Y C 1.549 177.463 175.900 0.022 0.000 1.216 348 Y CA 1.602 59.727 58.100 0.042 0.000 1.463 348 Y CB 0.959 39.372 38.460 -0.078 0.000 1.303 348 Y HN 0.266 nan 8.280 nan 0.000 0.576 349 G N 2.495 111.126 108.800 -0.282 0.000 2.234 349 G HA2 -0.359 3.601 3.960 0.000 0.000 0.235 349 G HA3 -0.359 3.601 3.960 0.000 0.000 0.235 349 G C 1.136 176.126 174.900 0.150 0.000 0.997 349 G CA 0.308 45.379 45.100 -0.049 0.000 0.623 349 G HN 1.246 nan 8.290 nan 0.000 0.514 350 A N 0.714 123.467 122.820 -0.112 0.000 1.948 350 A HA -0.018 4.302 4.320 0.000 0.000 0.220 350 A C 1.930 179.394 177.584 -0.200 0.000 1.177 350 A CA 2.385 54.189 52.037 -0.388 0.000 0.636 350 A CB -0.486 17.862 19.000 -1.087 0.000 0.815 350 A HN 0.466 nan 8.150 nan 0.000 0.449 351 D N -0.053 120.232 120.400 -0.192 0.000 2.218 351 D HA -0.121 4.519 4.640 0.000 0.000 0.204 351 D C 1.855 178.136 176.300 -0.033 0.000 0.976 351 D CA 1.138 55.061 54.000 -0.129 0.000 0.853 351 D CB -0.244 40.447 40.800 -0.182 0.000 0.939 351 D HN 0.587 nan 8.370 nan 0.000 0.481 352 I N 1.757 122.355 120.570 0.046 0.000 2.072 352 I HA -0.187 3.983 4.170 0.000 0.000 0.235 352 I C -0.518 175.670 176.117 0.117 0.000 1.058 352 I CA 1.128 62.517 61.300 0.148 0.000 1.320 352 I CB -1.694 36.526 38.000 0.366 0.000 1.047 352 I HN -0.002 nan 8.210 nan 0.000 0.397 353 P HA -0.096 nan 4.420 nan 0.000 0.226 353 P C 1.612 178.914 177.300 0.003 0.000 1.153 353 P CA 1.445 64.552 63.100 0.012 0.000 0.777 353 P CB 0.053 31.709 31.700 -0.073 0.000 0.794 354 L N -1.503 119.717 121.223 -0.004 0.000 2.567 354 L HA 0.294 4.635 4.340 0.000 0.000 0.225 354 L C 1.215 178.087 176.870 0.003 0.000 1.119 354 L CA 0.469 55.303 54.840 -0.011 0.000 0.871 354 L CB -0.904 41.130 42.059 -0.041 0.000 1.036 354 L HN 0.034 nan 8.230 nan 0.000 0.459 355 G N 0.736 109.545 108.800 0.014 0.000 2.314 355 G HA2 -0.267 3.693 3.960 0.000 0.000 0.292 355 G HA3 -0.267 3.693 3.960 0.000 0.000 0.292 355 G C 0.918 175.848 174.900 0.051 0.000 1.059 355 G CA 0.200 45.321 45.100 0.034 0.000 0.982 355 G HN 0.492 nan 8.290 nan 0.000 0.505 356 G N -0.957 107.849 108.800 0.010 0.000 2.564 356 G HA2 0.026 3.986 3.960 0.000 0.000 0.216 356 G HA3 0.026 3.986 3.960 0.000 0.000 0.216 356 G C 1.424 176.334 174.900 0.017 0.000 1.124 356 G CA 1.630 46.727 45.100 -0.006 0.000 0.764 356 G HN 0.571 nan 8.290 nan 0.000 0.550 357 M N -0.339 119.289 119.600 0.046 0.000 2.492 357 M HA 0.251 4.731 4.480 0.000 0.000 0.255 357 M C 0.968 177.317 176.300 0.082 0.000 1.139 357 M CA -0.508 54.824 55.300 0.053 0.000 1.096 357 M CB -0.151 32.483 32.600 0.056 0.000 1.360 357 M HN 0.280 nan 8.290 nan 0.000 0.480 358 H N 1.085 120.162 119.070 0.010 0.000 3.001 358 H HA 0.036 4.592 4.556 0.000 0.000 0.334 358 H C -0.018 175.316 175.328 0.010 0.000 1.034 358 H CA 1.014 57.069 56.048 0.011 0.000 1.420 358 H CB 0.608 30.377 29.762 0.013 0.000 1.405 358 H HN 0.216 nan 8.280 nan 0.000 0.593 359 R N 3.316 123.571 120.500 -0.408 0.000 2.600 359 R HA 0.118 4.458 4.340 0.000 0.000 0.392 359 R C -0.418 175.703 176.300 -0.298 0.000 1.032 359 R CA -0.144 55.804 56.100 -0.253 0.000 1.139 359 R CB 0.725 30.944 30.300 -0.136 0.000 1.400 359 R HN 0.717 nan 8.270 nan 0.000 0.566 360 E N -0.876 119.001 120.200 -0.538 0.000 2.416 360 E HA 0.264 4.614 4.350 0.000 0.000 0.273 360 E C -0.695 175.863 176.600 -0.071 0.000 0.935 360 E CA -0.908 55.336 56.400 -0.260 0.000 0.784 360 E CB 1.250 30.822 29.700 -0.213 0.000 1.301 360 E HN -0.243 nan 8.360 nan 0.000 0.454 361 D N 0.201 120.602 120.400 0.002 0.000 2.312 361 D HA -0.036 4.605 4.640 0.000 0.000 0.211 361 D C 0.159 176.513 176.300 0.091 0.000 0.964 361 D CA 0.678 54.706 54.000 0.046 0.000 0.877 361 D CB 0.074 40.874 40.800 0.000 0.000 0.924 361 D HN 0.182 nan 8.370 nan 0.000 0.515 362 R N 0.771 121.333 120.500 0.104 0.000 2.449 362 R HA 0.112 4.452 4.340 0.000 0.000 0.296 362 R C 1.334 177.736 176.300 0.170 0.000 1.047 362 R CA 0.044 56.206 56.100 0.103 0.000 1.018 362 R CB 0.405 30.752 30.300 0.079 0.000 0.962 362 R HN 0.031 nan 8.270 nan 0.000 0.428 363 L N 6.114 127.366 121.223 0.048 0.000 2.307 363 L HA 0.130 4.470 4.340 0.000 0.000 0.211 363 L C -0.984 175.837 176.870 -0.081 0.000 1.099 363 L CA -0.040 54.769 54.840 -0.051 0.000 0.816 363 L CB -0.706 41.319 42.059 -0.056 0.000 0.952 363 L HN 0.569 nan 8.230 nan 0.000 0.455 364 P HA -0.221 nan 4.420 nan 0.000 0.215 364 P C 1.611 178.898 177.300 -0.021 0.000 1.157 364 P CA 1.909 64.997 63.100 -0.019 0.000 0.874 364 P CB 0.060 31.762 31.700 0.003 0.000 0.790 365 A N -1.132 121.702 122.820 0.023 0.000 2.019 365 A HA -0.163 4.158 4.320 0.000 0.000 0.219 365 A C 2.081 179.652 177.584 -0.021 0.000 1.164 365 A CA 1.183 53.250 52.037 0.050 0.000 0.644 365 A CB -1.503 17.585 19.000 0.147 0.000 0.805 365 A HN 0.141 nan 8.150 nan 0.000 0.449 366 L N -0.024 121.036 121.223 -0.272 0.000 2.027 366 L HA -0.120 4.220 4.340 0.000 0.000 0.206 366 L C 1.630 178.405 176.870 -0.159 0.000 1.074 366 L CA 2.329 56.908 54.840 -0.434 0.000 0.745 366 L CB -0.683 40.871 42.059 -0.841 0.000 0.898 366 L HN 0.313 nan 8.230 nan 0.000 0.433 367 D N -1.232 119.098 120.400 -0.117 0.000 2.144 367 D HA -0.135 4.505 4.640 0.000 0.000 0.200 367 D C 1.970 178.268 176.300 -0.003 0.000 0.978 367 D CA 1.630 55.602 54.000 -0.048 0.000 0.833 367 D CB 0.101 40.877 40.800 -0.040 0.000 0.961 367 D HN 0.379 nan 8.370 nan 0.000 0.470 368 T N 0.541 115.095 114.554 0.001 0.000 2.674 368 T HA -0.102 4.248 4.350 0.000 0.000 0.265 368 T C 2.265 177.007 174.700 0.069 0.000 1.039 368 T CA 0.885 63.004 62.100 0.031 0.000 1.150 368 T CB -0.321 68.559 68.868 0.019 0.000 0.864 368 T HN -0.032 nan 8.240 nan 0.000 0.427 369 V N 1.798 121.749 119.914 0.062 0.000 2.295 369 V HA -0.112 4.008 4.120 0.000 0.000 0.246 369 V C 2.417 178.591 176.094 0.133 0.000 1.049 369 V CA 1.437 63.799 62.300 0.104 0.000 1.024 369 V CB -0.796 31.082 31.823 0.092 0.000 0.648 369 V HN 0.344 nan 8.190 nan 0.000 0.447 370 L N 1.376 122.648 121.223 0.082 0.000 1.989 370 L HA -0.124 4.216 4.340 0.000 0.000 0.211 370 L C 2.446 179.380 176.870 0.106 0.000 1.071 370 L CA 2.614 57.505 54.840 0.084 0.000 0.749 370 L CB -1.144 40.937 42.059 0.037 0.000 0.890 370 L HN 0.196 nan 8.230 nan 0.000 0.431 371 A N -1.347 121.526 122.820 0.089 0.000 1.908 371 A HA -0.297 4.023 4.320 0.000 0.000 0.218 371 A C 2.453 180.107 177.584 0.117 0.000 1.181 371 A CA 1.815 53.904 52.037 0.087 0.000 0.627 371 A CB -1.216 17.822 19.000 0.064 0.000 0.818 371 A HN 0.798 nan 8.150 nan 0.000 0.445 372 H N -0.312 118.799 119.070 0.067 0.000 2.357 372 H HA -0.124 4.433 4.556 0.000 0.000 0.301 372 H C 1.323 176.721 175.328 0.116 0.000 1.082 372 H CA 1.742 57.834 56.048 0.074 0.000 1.342 372 H CB -0.054 29.743 29.762 0.058 0.000 1.389 372 H HN 0.389 nan 8.280 nan 0.000 0.511 373 D N 0.445 120.935 120.400 0.150 0.000 2.117 373 D HA -0.143 4.497 4.640 0.000 0.000 0.197 373 D C 2.258 178.714 176.300 0.259 0.000 0.987 373 D CA 0.791 54.894 54.000 0.173 0.000 0.829 373 D CB -0.092 40.836 40.800 0.213 0.000 0.961 373 D HN 0.346 nan 8.370 nan 0.000 0.460 374 M N 0.084 119.843 119.600 0.266 0.000 2.374 374 M HA 0.031 4.511 4.480 0.000 0.000 0.264 374 M C 1.849 178.377 176.300 0.380 0.000 1.067 374 M CA 0.446 55.999 55.300 0.421 0.000 1.103 374 M CB -0.721 32.025 32.600 0.243 0.000 1.402 374 M HN -0.062 nan 8.290 nan 0.000 0.444 375 A N -0.336 122.550 122.820 0.111 0.000 2.238 375 A HA 0.090 4.411 4.320 0.000 0.000 0.210 375 A C 1.687 179.184 177.584 -0.144 0.000 1.179 375 A CA 1.158 53.178 52.037 -0.029 0.000 0.827 375 A CB -0.504 18.457 19.000 -0.065 0.000 0.856 375 A HN 0.511 nan 8.150 nan 0.000 0.488 376 T N -3.780 110.698 114.554 -0.126 0.000 3.111 376 T HA 0.181 4.532 4.350 0.000 0.000 0.284 376 T C 1.070 175.736 174.700 -0.057 0.000 0.983 376 T CA 0.317 62.322 62.100 -0.159 0.000 0.900 376 T CB -0.934 67.787 68.868 -0.244 0.000 1.132 376 T HN 0.444 nan 8.240 nan 0.000 0.531 377 F N 1.303 121.289 119.950 0.061 0.000 2.325 377 F HA 0.309 4.836 4.527 0.000 0.000 0.299 377 F C 0.493 176.311 175.800 0.031 0.000 1.090 377 F CA -0.500 57.538 58.000 0.064 0.000 1.392 377 F CB -0.624 38.461 39.000 0.142 0.000 1.053 377 F HN 0.010 nan 8.300 nan 0.000 0.521 378 D N 0.869 120.822 120.400 -0.746 0.000 2.401 378 D HA 0.355 4.995 4.640 0.000 0.000 0.254 378 D C 1.165 177.360 176.300 -0.174 0.000 1.192 378 D CA 1.300 55.028 54.000 -0.454 0.000 0.885 378 D CB 0.772 41.228 40.800 -0.573 0.000 1.147 378 D HN 0.564 nan 8.370 nan 0.000 0.478 379 G N 2.991 111.745 108.800 -0.077 0.000 2.218 379 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 379 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 379 G C 0.933 175.835 174.900 0.003 0.000 0.994 379 G CA 0.155 45.231 45.100 -0.039 0.000 0.637 379 G HN 0.476 nan 8.290 nan 0.000 0.505 380 L N 1.151 122.386 121.223 0.019 0.000 2.313 380 L HA 0.294 4.635 4.340 0.000 0.000 0.214 380 L C 1.563 178.451 176.870 0.029 0.000 1.119 380 L CA 1.464 56.329 54.840 0.041 0.000 0.809 380 L CB -0.940 41.163 42.059 0.073 0.000 0.933 380 L HN 0.442 nan 8.230 nan 0.000 0.449 381 N N -0.103 118.602 118.700 0.008 0.000 2.681 381 N HA -0.282 4.459 4.740 0.000 0.000 0.250 381 N C 1.257 176.717 175.510 -0.082 0.000 1.133 381 N CA 1.132 54.167 53.050 -0.026 0.000 0.732 381 N CB -1.189 37.312 38.487 0.023 0.000 1.107 381 N HN 0.697 nan 8.380 nan 0.000 0.559 382 E N -0.612 119.523 120.200 -0.107 0.000 2.265 382 E HA -0.141 4.209 4.350 0.000 0.000 0.196 382 E C 1.004 177.329 176.600 -0.458 0.000 0.996 382 E CA 1.046 57.329 56.400 -0.196 0.000 0.832 382 E CB -0.138 29.502 29.700 -0.099 0.000 0.756 382 E HN 0.518 nan 8.360 nan 0.000 0.491 383 M N 1.596 120.917 119.600 -0.465 0.000 2.576 383 M HA 0.155 4.635 4.480 0.000 0.000 0.322 383 M C 0.276 176.417 176.300 -0.265 0.000 1.184 383 M CA -0.431 54.519 55.300 -0.583 0.000 0.967 383 M CB 1.255 33.409 32.600 -0.743 0.000 1.372 383 M HN -0.065 nan 8.290 nan 0.000 0.509 384 S N 1.990 117.566 115.700 -0.207 0.000 2.558 384 S HA 0.109 4.579 4.470 0.000 0.000 0.288 384 S C -1.216 173.270 174.600 -0.190 0.000 1.318 384 S CA -1.096 57.010 58.200 -0.157 0.000 1.056 384 S CB 0.643 63.774 63.200 -0.115 0.000 0.853 384 S HN 0.230 nan 8.310 nan 0.000 0.505 385 P HA -0.039 nan 4.420 nan 0.000 0.221 385 P C 1.481 178.606 177.300 -0.293 0.000 1.150 385 P CA 0.681 63.564 63.100 -0.362 0.000 0.800 385 P CB -0.177 31.316 31.700 -0.345 0.000 0.787 386 V N 0.477 120.263 119.914 -0.214 0.000 2.568 386 V HA -0.230 3.891 4.120 0.000 0.000 0.253 386 V C 2.720 178.709 176.094 -0.175 0.000 1.072 386 V CA 1.436 63.607 62.300 -0.215 0.000 1.084 386 V CB -1.413 30.282 31.823 -0.212 0.000 0.676 386 V HN 0.033 nan 8.190 nan 0.000 0.469 387 L N 0.857 121.998 121.223 -0.137 0.000 2.079 387 L HA -0.192 4.148 4.340 0.000 0.000 0.210 387 L C 2.575 179.426 176.870 -0.032 0.000 1.081 387 L CA 2.058 56.887 54.840 -0.018 0.000 0.752 387 L CB -0.512 41.573 42.059 0.043 0.000 0.896 387 L HN 0.606 nan 8.230 nan 0.000 0.433 388 S N -2.473 113.015 115.700 -0.354 0.000 2.475 388 S HA -0.081 4.390 4.470 0.000 0.000 0.224 388 S C 1.939 176.363 174.600 -0.293 0.000 1.042 388 S CA 0.500 58.343 58.200 -0.595 0.000 0.935 388 S CB -0.533 61.994 63.200 -1.122 0.000 0.801 388 S HN 0.464 nan 8.310 nan 0.000 0.509 389 T N 1.986 116.332 114.554 -0.347 0.000 3.051 389 T HA 0.038 4.388 4.350 0.000 0.000 0.269 389 T C 1.709 176.267 174.700 -0.237 0.000 1.127 389 T CA 0.984 62.821 62.100 -0.438 0.000 1.107 389 T CB -0.952 67.494 68.868 -0.703 0.000 0.898 389 T HN 0.507 nan 8.240 nan 0.000 0.517 390 L N -0.468 120.689 121.223 -0.111 0.000 2.362 390 L HA 0.471 4.811 4.340 0.000 0.000 0.219 390 L C 2.171 179.096 176.870 0.092 0.000 1.134 390 L CA 1.256 56.112 54.840 0.028 0.000 0.807 390 L CB -0.801 41.335 42.059 0.128 0.000 0.927 390 L HN 0.238 nan 8.230 nan 0.000 0.447 391 A N -0.855 121.990 122.820 0.042 0.000 2.470 391 A HA 0.613 4.934 4.320 0.000 0.000 0.251 391 A C 1.719 179.224 177.584 -0.132 0.000 1.245 391 A CA 0.301 52.376 52.037 0.062 0.000 0.932 391 A CB -0.257 18.878 19.000 0.224 0.000 1.037 391 A HN 0.761 nan 8.150 nan 0.000 0.522 392 G N -0.620 108.068 108.800 -0.187 0.000 2.176 392 G HA2 -0.212 3.748 3.960 0.000 0.000 0.253 392 G HA3 -0.212 3.748 3.960 0.000 0.000 0.253 392 G C 0.060 174.767 174.900 -0.321 0.000 0.979 392 G CA 0.301 45.255 45.100 -0.243 0.000 0.641 392 G HN 0.666 nan 8.290 nan 0.000 0.530 393 H N -0.968 118.045 119.070 -0.095 0.000 2.467 393 H HA 0.393 4.949 4.556 0.000 0.000 0.331 393 H C -0.265 174.990 175.328 -0.120 0.000 1.120 393 H CA -0.314 55.700 56.048 -0.057 0.000 1.270 393 H CB 1.213 30.925 29.762 -0.084 0.000 1.466 393 H HN 0.359 nan 8.280 nan 0.000 0.504 394 W N 3.796 125.070 121.300 -0.044 0.000 2.417 394 W HA 0.242 4.902 4.660 0.000 0.000 0.317 394 W C -0.827 175.618 176.519 -0.124 0.000 1.121 394 W CA -0.628 56.667 57.345 -0.084 0.000 1.208 394 W CB 1.487 31.021 29.460 0.122 0.000 1.253 394 W HN 0.560 nan 8.180 nan 0.000 0.533 395 T N 2.279 116.252 114.554 -0.968 0.000 2.887 395 T HA 0.534 4.884 4.350 0.000 0.000 0.288 395 T C -0.666 173.308 174.700 -1.209 0.000 1.021 395 T CA -0.617 60.952 62.100 -0.886 0.000 1.000 395 T CB 2.188 70.620 68.868 -0.726 0.000 1.034 395 T HN 0.385 nan 8.240 nan 0.000 0.467 396 T N 0.829 114.873 114.554 -0.850 0.000 2.916 396 T HA 0.423 4.773 4.350 0.000 0.000 0.305 396 T C -1.728 172.568 174.700 -0.674 0.000 1.119 396 T CA -0.753 60.954 62.100 -0.655 0.000 1.008 396 T CB 0.992 69.784 68.868 -0.128 0.000 1.129 396 T HN 0.753 nan 8.240 nan 0.000 0.480 397 H N 4.469 123.512 119.070 -0.045 0.000 2.725 397 H HA 0.258 4.814 4.556 0.000 0.000 0.283 397 H C -2.156 173.201 175.328 0.048 0.000 1.110 397 H CA -1.814 54.252 56.048 0.029 0.000 1.289 397 H CB 1.534 31.335 29.762 0.064 0.000 1.400 397 H HN 0.425 nan 8.280 nan 0.000 0.493 398 P HA -0.195 nan 4.420 nan 0.000 0.217 398 P C 1.065 178.314 177.300 -0.086 0.000 1.151 398 P CA 1.431 64.447 63.100 -0.140 0.000 0.849 398 P CB 0.015 31.528 31.700 -0.312 0.000 0.787 399 Y N -3.766 116.637 120.300 0.171 0.000 2.497 399 Y HA -0.100 4.450 4.550 0.000 0.000 0.292 399 Y C 1.393 177.398 175.900 0.175 0.000 1.137 399 Y CA 0.367 58.568 58.100 0.169 0.000 1.285 399 Y CB -0.519 38.067 38.460 0.211 0.000 0.991 399 Y HN 0.007 nan 8.280 nan 0.000 0.556 400 W N 0.825 122.216 121.300 0.152 0.000 3.223 400 W HA 0.159 4.819 4.660 0.000 0.000 0.389 400 W C 0.060 176.660 176.519 0.134 0.000 1.118 400 W CA -1.169 56.233 57.345 0.095 0.000 1.902 400 W CB -0.498 28.977 29.460 0.024 0.000 1.094 400 W HN -0.110 nan 8.180 nan 0.000 0.666 401 D N -0.143 120.353 120.400 0.159 0.000 2.443 401 D HA -0.026 4.614 4.640 0.000 0.000 0.239 401 D C 1.855 178.083 176.300 -0.120 0.000 1.136 401 D CA 0.304 54.358 54.000 0.091 0.000 0.879 401 D CB 1.090 41.882 40.800 -0.013 0.000 1.195 401 D HN -0.052 nan 8.370 nan 0.000 0.443 402 R N 1.712 121.970 120.500 -0.404 0.000 2.091 402 R HA -0.174 4.166 4.340 0.000 0.000 0.238 402 R C 1.291 177.382 176.300 -0.350 0.000 1.136 402 R CA 1.368 56.939 56.100 -0.883 0.000 0.959 402 R CB 0.063 29.748 30.300 -1.024 0.000 0.856 402 R HN 0.590 nan 8.270 nan 0.000 0.437 403 E N -0.128 119.965 120.200 -0.178 0.000 2.072 403 E HA -0.114 4.237 4.350 0.000 0.000 0.190 403 E C 2.115 178.678 176.600 -0.063 0.000 0.982 403 E CA 1.002 57.353 56.400 -0.082 0.000 0.803 403 E CB -0.286 29.386 29.700 -0.046 0.000 0.755 403 E HN 0.192 nan 8.360 nan 0.000 0.453 404 V N 1.610 121.482 119.914 -0.070 0.000 2.358 404 V HA -0.215 3.905 4.120 0.000 0.000 0.246 404 V C 2.459 178.517 176.094 -0.059 0.000 1.047 404 V CA 1.292 63.568 62.300 -0.039 0.000 1.035 404 V CB -0.517 31.294 31.823 -0.021 0.000 0.658 404 V HN 0.140 nan 8.190 nan 0.000 0.452 405 L N 0.387 121.527 121.223 -0.139 0.000 2.017 405 L HA -0.179 4.161 4.340 0.000 0.000 0.208 405 L C 2.148 178.971 176.870 -0.079 0.000 1.073 405 L CA 2.093 56.797 54.840 -0.228 0.000 0.745 405 L CB -0.961 40.832 42.059 -0.442 0.000 0.894 405 L HN 0.297 nan 8.230 nan 0.000 0.432 406 D N -0.757 119.648 120.400 0.009 0.000 2.123 406 D HA -0.209 4.431 4.640 0.000 0.000 0.196 406 D C 2.164 178.482 176.300 0.029 0.000 0.992 406 D CA 1.607 55.661 54.000 0.091 0.000 0.833 406 D CB -0.234 40.637 40.800 0.119 0.000 0.954 406 D HN 0.314 nan 8.370 nan 0.000 0.455 407 L N 0.646 121.873 121.223 0.007 0.000 1.994 407 L HA -0.100 4.240 4.340 0.000 0.000 0.208 407 L C 2.241 179.114 176.870 0.004 0.000 1.071 407 L CA 1.422 56.266 54.840 0.007 0.000 0.745 407 L CB -0.627 41.435 42.059 0.006 0.000 0.892 407 L HN 0.013 nan 8.230 nan 0.000 0.431 408 L N -1.577 119.642 121.223 -0.006 0.000 2.046 408 L HA -0.198 4.142 4.340 0.000 0.000 0.208 408 L C 2.454 179.315 176.870 -0.014 0.000 1.077 408 L CA 1.034 55.870 54.840 -0.007 0.000 0.747 408 L CB -0.729 41.322 42.059 -0.012 0.000 0.896 408 L HN 0.143 nan 8.230 nan 0.000 0.432 409 V N 0.032 119.930 119.914 -0.025 0.000 2.343 409 V HA -0.276 3.844 4.120 0.000 0.000 0.247 409 V C 2.707 178.797 176.094 -0.008 0.000 1.051 409 V CA 2.079 64.368 62.300 -0.018 0.000 1.036 409 V CB -0.583 31.232 31.823 -0.013 0.000 0.654 409 V HN 0.648 nan 8.190 nan 0.000 0.451 410 S N -0.412 115.286 115.700 -0.003 0.000 2.447 410 S HA 0.012 4.483 4.470 0.000 0.000 0.233 410 S C 0.864 175.466 174.600 0.002 0.000 1.006 410 S CA 0.354 58.553 58.200 -0.002 0.000 0.957 410 S CB -0.758 62.443 63.200 0.002 0.000 0.773 410 S HN 0.462 nan 8.310 nan 0.000 0.507 411 L N 2.784 124.011 121.223 0.008 0.000 2.485 411 L HA 0.189 4.529 4.340 0.000 0.000 0.275 411 L C 0.640 177.516 176.870 0.009 0.000 1.207 411 L CA -0.481 54.369 54.840 0.016 0.000 0.855 411 L CB 0.076 42.152 42.059 0.029 0.000 1.114 411 L HN 0.433 nan 8.230 nan 0.000 0.485 412 E N 1.910 122.116 120.200 0.009 0.000 2.398 412 E HA 0.151 4.501 4.350 0.000 0.000 0.263 412 E C 0.823 177.420 176.600 -0.006 0.000 1.046 412 E CA 0.176 56.574 56.400 -0.003 0.000 0.908 412 E CB 0.844 30.541 29.700 -0.004 0.000 0.963 412 E HN 0.594 nan 8.360 nan 0.000 0.431 413 A N 3.427 126.232 122.820 -0.025 0.000 1.986 413 A HA -0.165 4.155 4.320 0.000 0.000 0.220 413 A C 2.113 179.676 177.584 -0.036 0.000 1.171 413 A CA 1.800 53.811 52.037 -0.043 0.000 0.640 413 A CB -1.396 17.557 19.000 -0.078 0.000 0.811 413 A HN 0.825 nan 8.150 nan 0.000 0.451 414 G N -0.860 107.917 108.800 -0.038 0.000 2.498 414 G HA2 -0.060 3.900 3.960 0.000 0.000 0.219 414 G HA3 -0.060 3.900 3.960 0.000 0.000 0.219 414 G C 1.351 176.223 174.900 -0.046 0.000 1.119 414 G CA 0.894 45.956 45.100 -0.062 0.000 0.766 414 G HN 0.476 nan 8.290 nan 0.000 0.552 415 L N -1.011 120.231 121.223 0.032 0.000 2.416 415 L HA 0.191 4.531 4.340 0.000 0.000 0.216 415 L C 2.641 179.636 176.870 0.208 0.000 1.098 415 L CA 0.404 55.336 54.840 0.153 0.000 0.840 415 L CB 0.094 42.243 42.059 0.151 0.000 0.981 415 L HN 0.150 nan 8.230 nan 0.000 0.462 416 K N -0.133 120.331 120.400 0.105 0.000 2.211 416 K HA -0.008 4.312 4.320 0.000 0.000 0.201 416 K C 0.629 177.304 176.600 0.125 0.000 1.052 416 K CA 0.296 56.642 56.287 0.100 0.000 0.973 416 K CB 0.285 32.804 32.500 0.031 0.000 0.766 416 K HN -0.103 nan 8.250 nan 0.000 0.466 417 R N 1.480 122.029 120.500 0.082 0.000 2.435 417 R HA 0.323 4.663 4.340 0.000 0.000 0.308 417 R C -1.469 174.823 176.300 -0.014 0.000 0.975 417 R CA -0.626 55.528 56.100 0.090 0.000 0.867 417 R CB 0.645 31.026 30.300 0.134 0.000 1.171 417 R HN 0.030 nan 8.270 nan 0.000 0.470 418 R N 2.148 122.611 120.500 -0.062 0.000 2.716 418 R HA 0.285 4.625 4.340 0.000 0.000 0.271 418 R C -0.732 175.346 176.300 -0.371 0.000 1.028 418 R CA -0.545 55.320 56.100 -0.391 0.000 0.883 418 R CB 0.847 30.667 30.300 -0.799 0.000 1.250 418 R HN 0.795 nan 8.270 nan 0.000 0.465 419 H N 0.891 119.781 119.070 -0.301 0.000 2.781 419 H HA -0.196 4.361 4.556 0.000 0.000 0.301 419 H C 0.818 176.102 175.328 -0.074 0.000 1.124 419 H CA 1.785 57.709 56.048 -0.207 0.000 1.154 419 H CB -1.368 28.229 29.762 -0.275 0.000 1.355 419 H HN 1.060 nan 8.280 nan 0.000 0.385 420 G N -0.296 108.514 108.800 0.017 0.000 2.155 420 G HA2 -0.357 3.603 3.960 0.000 0.000 0.257 420 G HA3 -0.357 3.603 3.960 0.000 0.000 0.257 420 G C 0.333 175.278 174.900 0.075 0.000 0.983 420 G CA 0.687 45.810 45.100 0.039 0.000 0.676 420 G HN 0.618 nan 8.290 nan 0.000 0.528 421 R N 0.706 121.281 120.500 0.124 0.000 2.711 421 R HA 0.498 4.838 4.340 0.000 0.000 0.284 421 R C -0.121 176.287 176.300 0.181 0.000 0.968 421 R CA -0.495 55.708 56.100 0.172 0.000 0.924 421 R CB 1.328 31.797 30.300 0.282 0.000 1.162 421 R HN 0.415 nan 8.270 nan 0.000 0.465 422 D N 1.990 122.471 120.400 0.134 0.000 2.329 422 D HA 0.044 4.684 4.640 0.000 0.000 0.246 422 D C -0.568 175.802 176.300 0.116 0.000 1.111 422 D CA -0.419 53.651 54.000 0.117 0.000 0.941 422 D CB 0.932 41.774 40.800 0.070 0.000 1.169 422 D HN 0.447 nan 8.370 nan 0.000 0.441 423 K N 0.073 120.530 120.400 0.095 0.000 3.078 423 K HA -0.247 4.073 4.320 0.000 0.000 0.261 423 K C 0.486 177.129 176.600 0.072 0.000 0.947 423 K CA 0.509 56.827 56.287 0.051 0.000 0.702 423 K CB -1.687 30.797 32.500 -0.026 0.000 1.318 423 K HN 0.645 nan 8.250 nan 0.000 0.473 424 W N 0.603 121.910 121.300 0.012 0.000 2.318 424 W HA -0.284 4.376 4.660 0.000 0.000 0.313 424 W C 1.979 178.518 176.519 0.033 0.000 1.221 424 W CA 2.051 59.416 57.345 0.033 0.000 1.266 424 W CB -0.447 29.039 29.460 0.044 0.000 1.150 424 W HN 0.164 nan 8.180 nan 0.000 0.496 425 V N 1.113 121.023 119.914 -0.007 0.000 2.469 425 V HA -0.268 3.852 4.120 0.000 0.000 0.251 425 V C 2.126 178.055 176.094 -0.274 0.000 1.064 425 V CA 2.236 64.419 62.300 -0.196 0.000 1.066 425 V CB -0.698 31.151 31.823 0.043 0.000 0.667 425 V HN 0.288 nan 8.190 nan 0.000 0.461 426 L N 0.063 121.180 121.223 -0.177 0.000 2.131 426 L HA 0.019 4.359 4.340 0.000 0.000 0.206 426 L C 2.519 179.279 176.870 -0.184 0.000 1.087 426 L CA 1.694 56.459 54.840 -0.125 0.000 0.767 426 L CB -0.714 41.301 42.059 -0.073 0.000 0.917 426 L HN 0.215 nan 8.230 nan 0.000 0.441 427 R N -0.472 119.870 120.500 -0.265 0.000 2.075 427 R HA -0.050 4.290 4.340 0.000 0.000 0.232 427 R C 2.258 178.346 176.300 -0.354 0.000 1.126 427 R CA 1.260 57.204 56.100 -0.261 0.000 0.963 427 R CB -0.619 29.543 30.300 -0.230 0.000 0.858 427 R HN 0.486 nan 8.270 nan 0.000 0.435 428 A N 1.241 123.673 122.820 -0.646 0.000 1.898 428 A HA -0.055 4.266 4.320 0.000 0.000 0.216 428 A C 2.365 179.759 177.584 -0.317 0.000 1.181 428 A CA 1.488 53.164 52.037 -0.601 0.000 0.620 428 A CB -0.606 17.714 19.000 -1.134 0.000 0.819 428 A HN 0.378 nan 8.150 nan 0.000 0.442 429 A N -0.986 121.670 122.820 -0.272 0.000 1.978 429 A HA -0.103 4.217 4.320 0.000 0.000 0.220 429 A C 1.904 179.432 177.584 -0.092 0.000 1.170 429 A CA 1.954 53.907 52.037 -0.140 0.000 0.636 429 A CB -0.353 18.591 19.000 -0.094 0.000 0.810 429 A HN 0.430 nan 8.150 nan 0.000 0.448 430 M N -1.108 118.433 119.600 -0.099 0.000 2.371 430 M HA 0.295 4.776 4.480 0.000 0.000 0.246 430 M C 1.969 178.226 176.300 -0.071 0.000 1.103 430 M CA 0.517 55.780 55.300 -0.062 0.000 1.010 430 M CB -1.095 31.480 32.600 -0.043 0.000 1.457 430 M HN 0.403 nan 8.290 nan 0.000 0.486 431 A N 1.667 124.431 122.820 -0.094 0.000 2.139 431 A HA -0.172 4.148 4.320 0.000 0.000 0.221 431 A C 1.508 179.063 177.584 -0.049 0.000 1.159 431 A CA 2.007 53.997 52.037 -0.079 0.000 0.662 431 A CB -0.692 18.258 19.000 -0.083 0.000 0.796 431 A HN 0.601 nan 8.150 nan 0.000 0.463 432 D N -1.893 118.489 120.400 -0.030 0.000 2.369 432 D HA 0.386 5.026 4.640 0.000 0.000 0.211 432 D C 0.916 177.233 176.300 0.028 0.000 1.077 432 D CA 0.769 54.769 54.000 -0.000 0.000 0.842 432 D CB 0.007 40.810 40.800 0.004 0.000 0.947 432 D HN 0.314 nan 8.370 nan 0.000 0.509 433 A N 0.022 122.849 122.820 0.013 0.000 2.469 433 A HA 0.447 4.768 4.320 0.000 0.000 0.245 433 A C 0.424 178.020 177.584 0.020 0.000 1.221 433 A CA -0.159 51.914 52.037 0.061 0.000 0.946 433 A CB 0.416 19.441 19.000 0.041 0.000 1.049 433 A HN 0.172 nan 8.150 nan 0.000 0.529 434 L N 0.257 121.383 121.223 -0.162 0.000 2.359 434 L HA 0.458 4.799 4.340 0.000 0.000 0.256 434 L C -2.556 173.981 176.870 -0.556 0.000 1.026 434 L CA -2.562 52.013 54.840 -0.442 0.000 0.828 434 L CB 2.475 44.403 42.059 -0.218 0.000 1.406 434 L HN -0.059 nan 8.230 nan 0.000 0.413 435 P HA 0.040 nan 4.420 nan 0.000 0.271 435 P C 0.133 177.329 177.300 -0.173 0.000 1.218 435 P CA -0.139 62.753 63.100 -0.346 0.000 0.780 435 P CB 1.219 32.777 31.700 -0.237 0.000 0.901 436 A N 3.820 126.580 122.820 -0.099 0.000 1.927 436 A HA -0.266 4.054 4.320 0.000 0.000 0.220 436 A C 2.051 179.606 177.584 -0.048 0.000 1.185 436 A CA 2.301 54.303 52.037 -0.059 0.000 0.639 436 A CB -1.336 17.646 19.000 -0.030 0.000 0.820 436 A HN 0.741 nan 8.150 nan 0.000 0.451 437 E N -1.156 119.017 120.200 -0.046 0.000 2.153 437 E HA -0.159 4.191 4.350 0.000 0.000 0.194 437 E C 1.712 178.290 176.600 -0.036 0.000 0.988 437 E CA 1.637 58.018 56.400 -0.031 0.000 0.811 437 E CB -0.793 28.892 29.700 -0.024 0.000 0.746 437 E HN 0.455 nan 8.360 nan 0.000 0.466 438 T N 0.781 115.299 114.554 -0.059 0.000 2.812 438 T HA -0.054 4.296 4.350 0.000 0.000 0.264 438 T C 2.049 176.718 174.700 -0.052 0.000 1.042 438 T CA 1.082 63.148 62.100 -0.058 0.000 1.140 438 T CB -0.144 68.673 68.868 -0.085 0.000 0.870 438 T HN 0.030 nan 8.240 nan 0.000 0.445 439 V N 3.213 123.088 119.914 -0.064 0.000 2.295 439 V HA -0.159 3.961 4.120 0.000 0.000 0.246 439 V C 1.604 177.679 176.094 -0.031 0.000 1.049 439 V CA 1.980 64.245 62.300 -0.060 0.000 1.024 439 V CB -0.681 31.100 31.823 -0.070 0.000 0.648 439 V HN 0.723 nan 8.190 nan 0.000 0.447 440 N N -0.548 118.145 118.700 -0.011 0.000 2.338 440 N HA 0.118 4.859 4.740 0.000 0.000 0.251 440 N C 0.275 175.798 175.510 0.020 0.000 1.199 440 N CA -0.264 52.799 53.050 0.021 0.000 0.879 440 N CB 0.013 38.524 38.487 0.039 0.000 1.159 440 N HN 0.380 nan 8.380 nan 0.000 0.514 441 R N 2.085 122.588 120.500 0.005 0.000 2.221 441 R HA 0.314 4.654 4.340 0.000 0.000 0.327 441 R C -2.085 174.221 176.300 0.010 0.000 1.033 441 R CA -1.727 54.377 56.100 0.006 0.000 0.887 441 R CB 0.594 30.892 30.300 -0.004 0.000 1.057 441 R HN 0.132 nan 8.270 nan 0.000 0.455 442 P HA -0.128 nan 4.420 nan 0.000 0.266 442 P C -1.091 176.213 177.300 0.006 0.000 1.186 442 P CA 0.250 63.360 63.100 0.017 0.000 0.767 442 P CB 0.523 32.232 31.700 0.015 0.000 0.820 443 K N 1.642 122.045 120.400 0.005 0.000 2.436 443 K HA 0.372 4.692 4.320 0.000 0.000 0.282 443 K C -0.009 176.587 176.600 -0.006 0.000 1.044 443 K CA 0.201 56.484 56.287 -0.006 0.000 1.028 443 K CB -0.710 31.785 32.500 -0.010 0.000 0.919 443 K HN 0.544 nan 8.250 nan 0.000 0.474 451 G N 1.895 110.694 108.800 -0.002 0.000 2.284 451 G HA2 -0.317 3.643 3.960 0.000 0.000 0.247 451 G HA3 -0.317 3.643 3.960 0.000 0.000 0.247 451 G C 0.323 175.222 174.900 -0.000 0.000 1.012 451 G CA 0.450 45.549 45.100 -0.002 0.000 0.618 451 G HN 1.383 nan 8.290 nan 0.000 0.521 452 T N 0.694 115.249 114.554 0.001 0.000 2.799 452 T HA 0.531 4.881 4.350 0.000 0.000 0.296 452 T C 0.318 175.022 174.700 0.007 0.000 0.947 452 T CA 0.632 62.734 62.100 0.003 0.000 1.141 452 T CB 1.713 70.582 68.868 0.002 0.000 0.891 452 T HN 0.284 nan 8.240 nan 0.000 0.533 453 T N 3.304 117.863 114.554 0.008 0.000 2.922 453 T HA 0.499 4.849 4.350 0.000 0.000 0.285 453 T C 0.809 175.521 174.700 0.020 0.000 1.005 453 T CA -0.685 61.421 62.100 0.011 0.000 1.061 453 T CB 0.993 69.865 68.868 0.008 0.000 1.007 453 T HN 0.948 nan 8.240 nan 0.000 0.502 454 S N 1.157 116.873 115.700 0.027 0.000 2.592 454 S HA 0.134 4.604 4.470 0.000 0.000 0.271 454 S C 1.703 176.343 174.600 0.067 0.000 1.326 454 S CA -0.174 58.053 58.200 0.045 0.000 1.024 454 S CB 0.841 64.073 63.200 0.053 0.000 0.921 454 S HN 0.764 nan 8.310 nan 0.000 0.527 455 S N 1.768 117.514 115.700 0.077 0.000 2.399 455 S HA -0.147 4.323 4.470 0.000 0.000 0.231 455 S C 1.436 176.139 174.600 0.173 0.000 1.022 455 S CA 0.679 58.932 58.200 0.089 0.000 0.983 455 S CB -0.822 62.412 63.200 0.058 0.000 0.803 455 S HN 0.720 nan 8.310 nan 0.000 0.480 456 F N 2.917 122.858 119.950 -0.016 0.000 2.146 456 F HA 0.106 4.633 4.527 0.000 0.000 0.298 456 F C 2.466 178.256 175.800 -0.017 0.000 1.096 456 F CA 0.676 58.664 58.000 -0.021 0.000 1.275 456 F CB -1.146 37.827 39.000 -0.046 0.000 1.008 456 F HN 0.215 nan 8.300 nan 0.000 0.480 457 S N 0.125 115.844 115.700 0.031 0.000 2.368 457 S HA -0.183 4.287 4.470 0.000 0.000 0.224 457 S C 2.051 176.647 174.600 -0.006 0.000 1.029 457 S CA 1.231 59.382 58.200 -0.082 0.000 0.988 457 S CB -0.268 62.900 63.200 -0.054 0.000 0.838 457 S HN 0.271 nan 8.310 nan 0.000 0.462 458 R N 1.319 121.846 120.500 0.044 0.000 2.091 458 R HA -0.025 4.315 4.340 0.000 0.000 0.238 458 R C 2.125 178.471 176.300 0.078 0.000 1.136 458 R CA 1.066 57.195 56.100 0.049 0.000 0.959 458 R CB -0.880 29.449 30.300 0.048 0.000 0.856 458 R HN 0.362 nan 8.270 nan 0.000 0.437 459 L N -0.187 121.115 121.223 0.131 0.000 2.042 459 L HA -0.151 4.189 4.340 0.000 0.000 0.210 459 L C 1.706 178.720 176.870 0.240 0.000 1.076 459 L CA 1.773 56.730 54.840 0.195 0.000 0.749 459 L CB -0.447 41.769 42.059 0.262 0.000 0.893 459 L HN 0.240 nan 8.230 nan 0.000 0.432 460 L N -1.056 120.243 121.223 0.126 0.000 2.109 460 L HA -0.130 4.210 4.340 0.000 0.000 0.207 460 L C 2.547 179.472 176.870 0.092 0.000 1.086 460 L CA 1.419 56.305 54.840 0.076 0.000 0.760 460 L CB -1.200 40.816 42.059 -0.071 0.000 0.910 460 L HN 0.355 nan 8.230 nan 0.000 0.437 461 L N -0.378 120.874 121.223 0.049 0.000 2.083 461 L HA -0.214 4.126 4.340 0.000 0.000 0.209 461 L C 1.866 178.762 176.870 0.042 0.000 1.083 461 L CA 0.968 55.828 54.840 0.034 0.000 0.752 461 L CB -0.455 41.613 42.059 0.014 0.000 0.899 461 L HN 0.222 nan 8.230 nan 0.000 0.433 462 D N -1.510 118.920 120.400 0.050 0.000 2.371 462 D HA -0.119 4.522 4.640 0.000 0.000 0.221 462 D C 1.814 178.073 176.300 -0.069 0.000 0.986 462 D CA 0.876 54.870 54.000 -0.009 0.000 0.899 462 D CB -0.012 40.774 40.800 -0.024 0.000 0.902 462 D HN 0.336 nan 8.370 nan 0.000 0.530 463 H N -0.936 118.137 119.070 0.005 0.000 2.551 463 H HA 0.235 4.791 4.556 0.000 0.000 0.271 463 H C 1.151 176.478 175.328 -0.001 0.000 0.984 463 H CA 0.754 56.805 56.048 0.005 0.000 1.164 463 H CB 0.852 30.619 29.762 0.008 0.000 1.437 463 H HN 0.138 nan 8.280 nan 0.000 0.550 464 G N 1.327 110.175 108.800 0.080 0.000 2.149 464 G HA2 -0.253 3.707 3.960 0.000 0.000 0.235 464 G HA3 -0.253 3.707 3.960 0.000 0.000 0.235 464 G C 0.077 175.002 174.900 0.041 0.000 1.018 464 G CA 0.293 45.419 45.100 0.044 0.000 0.728 464 G HN 0.174 nan 8.290 nan 0.000 0.508 465 V N 1.037 120.978 119.914 0.045 0.000 2.461 465 V HA 0.638 4.758 4.120 0.000 0.000 0.275 465 V C 1.250 177.346 176.094 0.003 0.000 1.047 465 V CA -0.186 62.124 62.300 0.017 0.000 0.955 465 V CB 1.202 33.025 31.823 -0.000 0.000 0.988 465 V HN 1.270 nan 8.190 nan 0.000 0.471 466 A N 3.486 126.305 122.820 -0.001 0.000 2.567 466 A HA 0.057 4.377 4.320 0.000 0.000 0.240 466 A C 1.350 178.928 177.584 -0.010 0.000 1.053 466 A CA 0.246 52.281 52.037 -0.005 0.000 0.755 466 A CB -0.165 18.832 19.000 -0.005 0.000 0.978 466 A HN 1.041 nan 8.150 nan 0.000 0.507 467 E N 1.361 121.555 120.200 -0.009 0.000 2.267 467 E HA -0.230 4.120 4.350 0.000 0.000 0.197 467 E C 1.031 177.623 176.600 -0.013 0.000 0.998 467 E CA 1.518 57.910 56.400 -0.013 0.000 0.830 467 E CB 0.077 29.771 29.700 -0.010 0.000 0.751 467 E HN 0.856 nan 8.360 nan 0.000 0.491 468 D N -0.527 119.867 120.400 -0.011 0.000 2.355 468 D HA -0.111 4.529 4.640 0.000 0.000 0.218 468 D C 1.147 177.443 176.300 -0.007 0.000 1.004 468 D CA 0.313 54.307 54.000 -0.010 0.000 0.880 468 D CB -0.046 40.748 40.800 -0.011 0.000 0.911 468 D HN 0.198 nan 8.370 nan 0.000 0.528 469 R N 0.117 120.611 120.500 -0.011 0.000 2.472 469 R HA 0.230 4.570 4.340 0.000 0.000 0.279 469 R C 1.789 178.073 176.300 -0.028 0.000 0.953 469 R CA -0.124 55.968 56.100 -0.012 0.000 1.088 469 R CB 0.821 31.112 30.300 -0.015 0.000 1.197 469 R HN -0.019 nan 8.270 nan 0.000 0.536 470 V N 0.878 120.771 119.914 -0.035 0.000 2.261 470 V HA -0.302 3.818 4.120 0.000 0.000 0.246 470 V C 2.416 178.437 176.094 -0.123 0.000 1.047 470 V CA 1.974 64.224 62.300 -0.084 0.000 1.015 470 V CB -0.672 31.102 31.823 -0.080 0.000 0.642 470 V HN 0.466 nan 8.190 nan 0.000 0.446 471 H N 0.312 119.298 119.070 -0.139 0.000 2.353 471 H HA -0.229 4.327 4.556 0.000 0.000 0.298 471 H C 2.358 177.609 175.328 -0.129 0.000 1.103 471 H CA 2.325 58.285 56.048 -0.147 0.000 1.293 471 H CB 0.141 29.845 29.762 -0.097 0.000 1.372 471 H HN 0.528 nan 8.280 nan 0.000 0.501 472 E N 0.590 120.809 120.200 0.031 0.000 2.204 472 E HA -0.032 4.319 4.350 0.000 0.000 0.194 472 E C 2.236 178.781 176.600 -0.091 0.000 0.989 472 E CA 1.163 57.562 56.400 -0.002 0.000 0.824 472 E CB -0.351 29.365 29.700 0.026 0.000 0.756 472 E HN 0.482 nan 8.360 nan 0.000 0.477 473 A N 0.792 123.539 122.820 -0.120 0.000 1.930 473 A HA -0.144 4.176 4.320 0.000 0.000 0.217 473 A C 2.025 179.494 177.584 -0.192 0.000 1.175 473 A CA 1.529 53.486 52.037 -0.132 0.000 0.627 473 A CB -0.320 18.602 19.000 -0.129 0.000 0.815 473 A HN 0.187 nan 8.150 nan 0.000 0.443 474 K N -0.820 119.370 120.400 -0.350 0.000 2.103 474 K HA -0.081 4.239 4.320 0.000 0.000 0.204 474 K C 2.320 178.798 176.600 -0.202 0.000 1.052 474 K CA 1.127 57.121 56.287 -0.488 0.000 0.945 474 K CB -0.129 31.795 32.500 -0.960 0.000 0.722 474 K HN 0.432 nan 8.250 nan 0.000 0.443 475 R N 1.415 121.770 120.500 -0.241 0.000 2.092 475 R HA -0.164 4.176 4.340 0.000 0.000 0.231 475 R C 2.237 178.505 176.300 -0.053 0.000 1.119 475 R CA 1.489 57.508 56.100 -0.135 0.000 0.970 475 R CB 0.038 30.267 30.300 -0.118 0.000 0.864 475 R HN 0.217 nan 8.270 nan 0.000 0.440 476 Q N -0.183 119.586 119.800 -0.052 0.000 2.123 476 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 476 Q C 1.974 177.979 176.000 0.007 0.000 0.966 476 Q CA 1.206 56.996 55.803 -0.022 0.000 0.845 476 Q CB 0.284 29.005 28.738 -0.029 0.000 0.907 476 Q HN 0.215 nan 8.270 nan 0.000 0.439 477 V N -0.159 119.771 119.914 0.027 0.000 2.261 477 V HA -0.252 3.869 4.120 0.000 0.000 0.246 477 V C 2.239 178.388 176.094 0.091 0.000 1.047 477 V CA 1.559 63.904 62.300 0.076 0.000 1.015 477 V CB -0.413 31.517 31.823 0.178 0.000 0.642 477 V HN 0.244 nan 8.190 nan 0.000 0.446 478 V N 0.414 120.399 119.914 0.119 0.000 2.343 478 V HA -0.267 3.853 4.120 0.000 0.000 0.247 478 V C 2.619 178.770 176.094 0.095 0.000 1.051 478 V CA 2.304 64.667 62.300 0.105 0.000 1.036 478 V CB -0.886 31.000 31.823 0.104 0.000 0.654 478 V HN 0.549 nan 8.190 nan 0.000 0.451 479 R N 1.032 121.562 120.500 0.051 0.000 2.091 479 R HA -0.197 4.143 4.340 0.000 0.000 0.238 479 R C 2.026 178.388 176.300 0.103 0.000 1.136 479 R CA 2.075 58.198 56.100 0.038 0.000 0.959 479 R CB -0.589 29.706 30.300 -0.007 0.000 0.856 479 R HN 0.616 nan 8.270 nan 0.000 0.437 480 E N -0.269 119.974 120.200 0.073 0.000 2.152 480 E HA -0.065 4.286 4.350 0.000 0.000 0.192 480 E C 1.921 178.562 176.600 0.067 0.000 0.983 480 E CA 1.068 57.506 56.400 0.063 0.000 0.818 480 E CB -0.031 29.687 29.700 0.030 0.000 0.758 480 E HN 0.337 nan 8.360 nan 0.000 0.467 481 L N 0.008 121.276 121.223 0.074 0.000 2.109 481 L HA -0.118 4.222 4.340 0.000 0.000 0.207 481 L C 2.312 179.227 176.870 0.076 0.000 1.086 481 L CA 0.689 55.554 54.840 0.043 0.000 0.760 481 L CB -0.309 41.769 42.059 0.031 0.000 0.910 481 L HN 0.153 nan 8.230 nan 0.000 0.437 482 F N 1.344 121.290 119.950 -0.008 0.000 2.113 482 F HA -0.226 4.301 4.527 0.000 0.000 0.297 482 F C 2.228 178.023 175.800 -0.008 0.000 1.103 482 F CA 1.645 59.645 58.000 -0.000 0.000 1.248 482 F CB -0.190 38.808 39.000 -0.004 0.000 0.999 482 F HN 0.097 nan 8.300 nan 0.000 0.475 483 D N 0.616 121.158 120.400 0.237 0.000 2.178 483 D HA -0.171 4.469 4.640 0.000 0.000 0.201 483 D C 2.426 178.712 176.300 -0.024 0.000 0.980 483 D CA 1.459 55.526 54.000 0.112 0.000 0.842 483 D CB -0.351 40.520 40.800 0.119 0.000 0.948 483 D HN 0.363 nan 8.370 nan 0.000 0.472 484 L N 0.537 121.740 121.223 -0.033 0.000 2.068 484 L HA -0.092 4.248 4.340 0.000 0.000 0.204 484 L C 2.692 179.497 176.870 -0.109 0.000 1.076 484 L CA 1.459 56.258 54.840 -0.067 0.000 0.753 484 L CB -0.516 41.504 42.059 -0.066 0.000 0.910 484 L HN 0.126 nan 8.230 nan 0.000 0.439 485 T N -3.816 110.660 114.554 -0.131 0.000 2.901 485 T HA -0.010 4.340 4.350 0.000 0.000 0.252 485 T C 1.712 176.372 174.700 -0.067 0.000 1.035 485 T CA 0.773 62.807 62.100 -0.110 0.000 1.142 485 T CB -0.436 68.381 68.868 -0.085 0.000 0.869 485 T HN 0.027 nan 8.240 nan 0.000 0.442 486 V N 1.421 121.149 119.914 -0.310 0.000 2.500 486 V HA 0.270 4.390 4.120 0.000 0.000 0.243 486 V C 2.954 178.791 176.094 -0.427 0.000 1.039 486 V CA 1.523 63.525 62.300 -0.496 0.000 1.053 486 V CB -0.972 30.171 31.823 -1.133 0.000 0.695 486 V HN 0.653 nan 8.190 nan 0.000 0.463 487 G N -0.303 108.246 108.800 -0.417 0.000 2.539 487 G HA2 0.076 4.037 3.960 0.000 0.000 0.215 487 G HA3 0.076 4.037 3.960 0.000 0.000 0.215 487 G C 1.436 176.273 174.900 -0.105 0.000 1.141 487 G CA 0.789 45.773 45.100 -0.194 0.000 0.806 487 G HN 0.565 nan 8.290 nan 0.000 0.533 488 G N -0.528 108.212 108.800 -0.100 0.000 2.887 488 G HA2 0.373 4.333 3.960 0.000 0.000 0.211 488 G HA3 0.373 4.333 3.960 0.000 0.000 0.211 488 G C 1.175 176.043 174.900 -0.053 0.000 1.152 488 G CA 0.526 45.588 45.100 -0.063 0.000 0.769 488 G HN 1.320 nan 8.290 nan 0.000 0.541 489 G N -0.475 108.294 108.800 -0.052 0.000 2.160 489 G HA2 -0.250 3.710 3.960 0.000 0.000 0.244 489 G HA3 -0.250 3.710 3.960 0.000 0.000 0.244 489 G C 0.235 175.124 174.900 -0.018 0.000 1.022 489 G CA 0.235 45.325 45.100 -0.017 0.000 0.741 489 G HN 0.614 nan 8.290 nan 0.000 0.508 490 R N 0.202 120.667 120.500 -0.059 0.000 2.407 490 R HA 0.559 4.899 4.340 0.000 0.000 0.303 490 R C 0.288 176.470 176.300 -0.198 0.000 0.981 490 R CA -0.844 55.199 56.100 -0.096 0.000 0.905 490 R CB 0.443 30.676 30.300 -0.112 0.000 1.099 490 R HN 0.365 nan 8.270 nan 0.000 0.459 491 H N 4.952 123.836 119.070 -0.310 0.000 2.582 491 H HA 0.166 4.722 4.556 0.000 0.000 0.345 491 H C -1.731 173.170 175.328 -0.712 0.000 1.104 491 H CA -1.906 53.795 56.048 -0.578 0.000 1.390 491 H CB 1.680 31.204 29.762 -0.397 0.000 1.461 491 H HN 0.397 nan 8.280 nan 0.000 0.551 492 P HA -0.189 nan 4.420 nan 0.000 0.218 492 P C 1.518 178.440 177.300 -0.630 0.000 1.152 492 P CA 1.738 64.122 63.100 -1.194 0.000 0.857 492 P CB 0.253 30.655 31.700 -2.163 0.000 0.787 493 S N -0.675 114.867 115.700 -0.262 0.000 2.400 493 S HA -0.193 4.277 4.470 0.000 0.000 0.232 493 S C 1.537 176.105 174.600 -0.054 0.000 1.025 493 S CA 1.265 59.467 58.200 0.003 0.000 0.993 493 S CB -0.782 62.476 63.200 0.096 0.000 0.808 493 S HN 0.435 nan 8.310 nan 0.000 0.478 494 E N 0.507 120.651 120.200 -0.093 0.000 2.502 494 E HA 0.060 4.410 4.350 0.000 0.000 0.194 494 E C -0.395 176.146 176.600 -0.098 0.000 1.062 494 E CA -0.019 56.330 56.400 -0.086 0.000 0.867 494 E CB 0.287 29.938 29.700 -0.082 0.000 0.888 494 E HN 0.204 nan 8.360 nan 0.000 0.510 495 V N 2.415 122.247 119.914 -0.137 0.000 2.432 495 V HA 0.012 4.132 4.120 0.000 0.000 0.271 495 V C 0.191 176.242 176.094 -0.071 0.000 1.046 495 V CA -0.458 61.772 62.300 -0.117 0.000 0.945 495 V CB 1.217 32.941 31.823 -0.164 0.000 0.992 495 V HN 0.046 nan 8.190 nan 0.000 0.471 496 D N 3.930 124.301 120.400 -0.048 0.000 2.517 496 D HA 0.082 4.723 4.640 0.000 0.000 0.220 496 D C 1.360 177.648 176.300 -0.021 0.000 1.158 496 D CA 0.073 54.058 54.000 -0.026 0.000 0.992 496 D CB 0.948 41.737 40.800 -0.018 0.000 1.058 496 D HN 0.618 nan 8.370 nan 0.000 0.516 497 T N 1.762 116.304 114.554 -0.021 0.000 2.699 497 T HA -0.183 4.167 4.350 0.000 0.000 0.268 497 T C 1.090 175.790 174.700 -0.001 0.000 1.036 497 T CA 1.196 63.286 62.100 -0.016 0.000 1.147 497 T CB 0.065 68.924 68.868 -0.015 0.000 0.862 497 T HN 0.388 nan 8.240 nan 0.000 0.446 498 D N 0.851 121.262 120.400 0.017 0.000 2.104 498 D HA -0.108 4.532 4.640 0.000 0.000 0.194 498 D C 1.971 178.286 176.300 0.024 0.000 0.994 498 D CA 1.277 55.303 54.000 0.043 0.000 0.830 498 D CB -0.676 40.158 40.800 0.057 0.000 0.959 498 D HN 0.396 nan 8.370 nan 0.000 0.452 499 D N 0.124 120.531 120.400 0.012 0.000 2.104 499 D HA -0.138 4.502 4.640 0.000 0.000 0.194 499 D C 2.029 178.321 176.300 -0.014 0.000 0.994 499 D CA 0.945 54.947 54.000 0.003 0.000 0.830 499 D CB 0.019 40.818 40.800 -0.002 0.000 0.959 499 D HN -0.023 nan 8.370 nan 0.000 0.452 500 V N -0.138 119.765 119.914 -0.019 0.000 2.255 500 V HA -0.251 3.869 4.120 0.000 0.000 0.247 500 V C 2.653 178.719 176.094 -0.047 0.000 1.051 500 V CA 1.627 63.913 62.300 -0.024 0.000 1.018 500 V CB -0.584 31.230 31.823 -0.017 0.000 0.641 500 V HN 0.175 nan 8.190 nan 0.000 0.445 501 V N -0.177 119.696 119.914 -0.069 0.000 2.343 501 V HA -0.267 3.853 4.120 0.000 0.000 0.247 501 V C 2.556 178.481 176.094 -0.283 0.000 1.051 501 V CA 2.343 64.546 62.300 -0.162 0.000 1.036 501 V CB -0.840 30.871 31.823 -0.187 0.000 0.654 501 V HN 0.472 nan 8.190 nan 0.000 0.451 502 R N -0.091 120.288 120.500 -0.202 0.000 2.073 502 R HA -0.189 4.151 4.340 0.000 0.000 0.234 502 R C 2.681 178.944 176.300 -0.061 0.000 1.134 502 R CA 1.879 57.916 56.100 -0.105 0.000 0.952 502 R CB -0.459 29.866 30.300 0.041 0.000 0.850 502 R HN 0.497 nan 8.270 nan 0.000 0.433 503 S N -0.294 115.378 115.700 -0.046 0.000 2.353 503 S HA -0.113 4.357 4.470 0.000 0.000 0.222 503 S C 1.974 176.552 174.600 -0.036 0.000 1.035 503 S CA 1.584 59.767 58.200 -0.028 0.000 1.025 503 S CB -0.245 62.943 63.200 -0.021 0.000 0.902 503 S HN 0.240 nan 8.310 nan 0.000 0.440 504 V N 2.253 122.135 119.914 -0.053 0.000 2.332 504 V HA -0.173 3.947 4.120 0.000 0.000 0.248 504 V C 2.871 178.933 176.094 -0.054 0.000 1.055 504 V CA 1.869 64.139 62.300 -0.050 0.000 1.038 504 V CB -1.427 30.363 31.823 -0.055 0.000 0.651 504 V HN 0.633 nan 8.190 nan 0.000 0.450 505 A N -0.014 122.758 122.820 -0.080 0.000 1.877 505 A HA -0.253 4.067 4.320 0.000 0.000 0.216 505 A C 1.911 179.488 177.584 -0.012 0.000 1.186 505 A CA 2.019 54.027 52.037 -0.049 0.000 0.620 505 A CB -0.708 18.257 19.000 -0.058 0.000 0.822 505 A HN 0.529 nan 8.150 nan 0.000 0.443 506 D N -0.777 119.619 120.400 -0.006 0.000 2.351 506 D HA -0.069 4.571 4.640 0.000 0.000 0.216 506 D C 1.746 178.045 176.300 -0.001 0.000 0.968 506 D CA 0.831 54.835 54.000 0.005 0.000 0.899 506 D CB -0.149 40.656 40.800 0.009 0.000 0.907 506 D HN 0.495 nan 8.370 nan 0.000 0.514 507 R N -0.717 119.778 120.500 -0.009 0.000 2.437 507 R HA 0.169 4.509 4.340 0.000 0.000 0.257 507 R C 0.488 176.782 176.300 -0.010 0.000 0.927 507 R CA 0.074 56.169 56.100 -0.009 0.000 1.078 507 R CB 0.792 31.086 30.300 -0.011 0.000 1.161 507 R HN 0.000 nan 8.270 nan 0.000 0.529 508 T N 0.000 114.547 114.554 -0.012 0.000 3.816 508 T HA 0.000 4.350 4.350 0.000 0.000 0.228 508 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 508 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658