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 3n2g_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGVD 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.271 176.300 -0.049 0.000 0.893 2 R CA 0.000 56.083 56.100 -0.028 0.000 0.921 2 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 3 E N -0.245 119.899 120.200 -0.094 0.000 2.284 3 E HA 0.492 4.842 4.350 -0.000 0.000 0.255 3 E C -1.046 175.416 176.600 -0.231 0.000 1.052 3 E CA -0.383 55.934 56.400 -0.138 0.000 0.904 3 E CB 2.154 31.774 29.700 -0.132 0.000 1.217 3 E HN 0.265 nan 8.360 nan 0.000 0.438 4 C N 1.477 120.588 119.300 -0.315 0.000 3.096 4 C HA 0.349 4.809 4.460 -0.000 0.000 0.391 4 C C -1.560 173.152 174.990 -0.463 0.000 1.085 4 C CA -0.423 58.324 59.018 -0.451 0.000 1.289 4 C CB -0.798 26.593 27.740 -0.581 0.000 1.685 4 C HN 0.577 nan 8.230 nan 0.000 0.515 5 I N 4.325 124.698 120.570 -0.329 0.000 2.331 5 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 5 I C 0.578 176.785 176.117 0.150 0.000 0.998 5 I CA 0.314 61.567 61.300 -0.078 0.000 1.267 5 I CB 1.764 39.775 38.000 0.019 0.000 1.386 5 I HN 0.526 nan 8.210 nan 0.000 0.476 6 S N 6.947 122.818 115.700 0.285 0.000 2.475 6 S HA 0.561 5.031 4.470 -0.000 0.000 0.281 6 S C -0.190 174.717 174.600 0.512 0.000 1.198 6 S CA -0.446 58.060 58.200 0.510 0.000 1.063 6 S CB 0.488 64.224 63.200 0.893 0.000 0.972 6 S HN 0.317 nan 8.310 nan 0.000 0.486 7 I N 4.112 124.959 120.570 0.460 0.000 2.378 7 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 7 I C -0.983 175.425 176.117 0.485 0.000 0.992 7 I CA -0.739 60.829 61.300 0.448 0.000 1.154 7 I CB 1.215 39.361 38.000 0.244 0.000 1.315 7 I HN 0.583 nan 8.210 nan 0.000 0.448 8 H N 4.904 124.225 119.070 0.417 0.000 2.792 8 H HA 0.392 4.948 4.556 -0.000 0.000 0.298 8 H C -0.483 174.947 175.328 0.169 0.000 1.042 8 H CA -0.699 55.528 56.048 0.298 0.000 1.300 8 H CB 1.511 31.306 29.762 0.056 0.000 1.431 8 H HN 0.344 nan 8.280 nan 0.000 0.496 9 V N 1.782 121.879 119.914 0.305 0.000 2.472 9 V HA 0.914 5.034 4.120 -0.000 0.000 0.290 9 V C 0.451 176.645 176.094 0.166 0.000 1.037 9 V CA 0.495 62.929 62.300 0.223 0.000 0.908 9 V CB 0.777 32.795 31.823 0.325 0.000 0.985 9 V HN 1.096 nan 8.190 nan 0.000 0.454 10 G N 3.965 112.800 108.800 0.058 0.000 2.907 10 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 10 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 10 G C 0.047 174.926 174.900 -0.035 0.000 1.115 10 G CA 0.560 45.676 45.100 0.026 0.000 0.760 10 G HN 1.845 nan 8.290 nan 0.000 0.620 11 Q N 1.279 121.033 119.800 -0.075 0.000 2.124 11 Q HA -0.240 4.100 4.340 -0.000 0.000 0.215 11 Q C 2.753 178.663 176.000 -0.150 0.000 1.015 11 Q CA 4.183 59.909 55.803 -0.129 0.000 0.890 11 Q CB -0.350 28.308 28.738 -0.134 0.000 0.966 11 Q HN 1.956 nan 8.270 nan 0.000 0.412 12 A N 0.204 122.957 122.820 -0.111 0.000 1.841 12 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 12 A C 2.424 179.983 177.584 -0.042 0.000 1.195 12 A CA 1.584 53.554 52.037 -0.112 0.000 0.611 12 A CB -1.684 17.280 19.000 -0.061 0.000 0.835 12 A HN 0.662 nan 8.150 nan 0.000 0.443 13 G N -0.252 108.574 108.800 0.043 0.000 2.599 13 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 13 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 13 G C 1.568 176.472 174.900 0.007 0.000 1.193 13 G CA 1.651 46.829 45.100 0.130 0.000 0.778 13 G HN 0.364 nan 8.290 nan 0.000 0.589 14 V N 0.297 120.118 119.914 -0.155 0.000 2.324 14 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 14 V C 2.913 178.766 176.094 -0.401 0.000 1.060 14 V CA 2.610 64.632 62.300 -0.464 0.000 1.042 14 V CB -0.458 31.082 31.823 -0.472 0.000 0.650 14 V HN 0.471 nan 8.190 nan 0.000 0.450 15 Q N -1.318 118.341 119.800 -0.235 0.000 2.187 15 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 15 Q C 2.144 178.076 176.000 -0.113 0.000 0.957 15 Q CA 1.205 56.904 55.803 -0.174 0.000 0.857 15 Q CB -0.100 28.543 28.738 -0.158 0.000 0.929 15 Q HN 0.577 nan 8.270 nan 0.000 0.453 16 I N 0.131 120.653 120.570 -0.081 0.000 2.163 16 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 16 I C 2.144 178.184 176.117 -0.127 0.000 1.085 16 I CA 1.605 62.873 61.300 -0.054 0.000 1.347 16 I CB -0.600 37.426 38.000 0.042 0.000 1.044 16 I HN 0.292 nan 8.210 nan 0.000 0.408 17 G N 0.080 108.811 108.800 -0.114 0.000 2.545 17 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.217 17 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.217 17 G C 1.545 176.472 174.900 0.045 0.000 1.218 17 G CA 1.239 46.311 45.100 -0.045 0.000 0.787 17 G HN 0.343 nan 8.290 nan 0.000 0.571 18 N N 1.282 119.957 118.700 -0.041 0.000 2.272 18 N HA -0.024 4.716 4.740 -0.000 0.000 0.185 18 N C 2.028 177.625 175.510 0.145 0.000 1.014 18 N CA 1.232 54.360 53.050 0.131 0.000 0.870 18 N CB -0.300 38.208 38.487 0.035 0.000 0.975 18 N HN 0.281 nan 8.380 nan 0.000 0.433 19 A N -0.872 121.962 122.820 0.025 0.000 2.275 19 A HA 0.107 4.427 4.320 -0.000 0.000 0.212 19 A C 2.099 179.621 177.584 -0.103 0.000 1.201 19 A CA 0.582 52.621 52.037 0.003 0.000 0.843 19 A CB -0.485 18.508 19.000 -0.012 0.000 0.873 19 A HN 0.603 nan 8.150 nan 0.000 0.492 20 C N -5.197 113.972 119.300 -0.218 0.000 3.270 20 C HA 0.296 4.756 4.460 -0.000 0.000 0.369 20 C C 1.808 176.291 174.990 -0.845 0.000 1.326 20 C CA -0.309 58.395 59.018 -0.522 0.000 1.846 20 C CB -1.619 25.754 27.740 -0.611 0.000 2.534 20 C HN 0.629 nan 8.230 nan 0.000 0.649 21 W N 2.739 123.804 121.300 -0.391 0.000 2.363 21 W HA -0.027 4.633 4.660 -0.000 0.000 0.296 21 W C 2.633 179.053 176.519 -0.165 0.000 1.212 21 W CA 2.074 59.286 57.345 -0.222 0.000 1.260 21 W CB -0.211 29.231 29.460 -0.029 0.000 1.131 21 W HN 0.564 nan 8.180 nan 0.000 0.530 22 E N 0.541 120.781 120.200 0.067 0.000 2.058 22 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 22 E C 2.014 178.658 176.600 0.072 0.000 0.997 22 E CA 1.765 58.237 56.400 0.121 0.000 0.801 22 E CB -0.626 29.268 29.700 0.325 0.000 0.746 22 E HN 0.297 nan 8.360 nan 0.000 0.450 23 L N -0.199 120.996 121.223 -0.047 0.000 2.240 23 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 23 L C 2.029 178.928 176.870 0.048 0.000 1.106 23 L CA 0.913 55.733 54.840 -0.034 0.000 0.793 23 L CB -0.179 41.815 42.059 -0.108 0.000 0.927 23 L HN 0.286 nan 8.230 nan 0.000 0.446 24 Y N -2.493 117.779 120.300 -0.048 0.000 2.114 24 Y HA -0.340 4.210 4.550 -0.000 0.000 0.284 24 Y C 2.757 178.740 175.900 0.137 0.000 1.143 24 Y CA 0.837 58.940 58.100 0.006 0.000 1.135 24 Y CB -0.587 37.814 38.460 -0.098 0.000 0.980 24 Y HN 0.213 nan 8.280 nan 0.000 0.499 25 C N -0.140 119.340 119.300 0.299 0.000 2.403 25 C HA -0.212 4.248 4.460 -0.000 0.000 0.277 25 C C 2.645 177.694 174.990 0.100 0.000 1.248 25 C CA 0.772 59.885 59.018 0.157 0.000 1.762 25 C CB -1.249 26.523 27.740 0.055 0.000 2.014 25 C HN 0.451 nan 8.230 nan 0.000 0.486 26 L N 0.392 121.679 121.223 0.105 0.000 2.027 26 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 26 L C 2.387 179.294 176.870 0.061 0.000 1.074 26 L CA 1.757 56.646 54.840 0.082 0.000 0.745 26 L CB -1.141 40.965 42.059 0.077 0.000 0.898 26 L HN 0.362 nan 8.230 nan 0.000 0.433 27 E N -1.457 118.766 120.200 0.038 0.000 2.110 27 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 27 E C 1.488 178.032 176.600 -0.093 0.000 0.988 27 E CA 1.026 57.410 56.400 -0.026 0.000 0.804 27 E CB 0.080 29.724 29.700 -0.094 0.000 0.745 27 E HN 0.551 nan 8.360 nan 0.000 0.458 28 H N -1.552 117.564 119.070 0.077 0.000 2.586 28 H HA 0.216 4.772 4.556 -0.000 0.000 0.273 28 H C 0.607 175.952 175.328 0.029 0.000 0.997 28 H CA 0.664 56.742 56.048 0.050 0.000 1.177 28 H CB 0.982 30.597 29.762 -0.246 0.000 1.471 28 H HN 0.220 nan 8.280 nan 0.000 0.538 29 G N 1.981 110.840 108.800 0.098 0.000 2.370 29 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.295 29 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.295 29 G C -0.317 174.584 174.900 0.003 0.000 1.045 29 G CA -0.063 45.075 45.100 0.063 0.000 1.199 29 G HN 0.308 nan 8.290 nan 0.000 0.513 30 I N 0.309 120.856 120.570 -0.038 0.000 2.382 30 I HA 0.282 4.452 4.170 -0.000 0.000 0.285 30 I C 0.570 176.677 176.117 -0.015 0.000 1.007 30 I CA -0.695 60.554 61.300 -0.085 0.000 1.142 30 I CB 1.647 39.532 38.000 -0.191 0.000 1.289 30 I HN 0.241 nan 8.210 nan 0.000 0.453 31 Q N 7.897 127.693 119.800 -0.007 0.000 2.286 31 Q HA 0.037 4.377 4.340 -0.000 0.000 0.290 31 Q C -1.379 174.653 176.000 0.053 0.000 1.049 31 Q CA -0.823 55.001 55.803 0.034 0.000 0.923 31 Q CB 0.326 29.074 28.738 0.017 0.000 1.183 31 Q HN 0.340 nan 8.270 nan 0.000 0.383 32 P HA -0.415 nan 4.420 nan 0.000 0.229 32 P C 0.639 177.998 177.300 0.099 0.000 1.073 32 P CA 2.142 65.380 63.100 0.230 0.000 1.022 32 P CB -0.192 31.664 31.700 0.261 0.000 0.752 33 D N -1.873 118.560 120.400 0.055 0.000 2.362 33 D HA -0.180 4.460 4.640 -0.000 0.000 0.215 33 D C 1.552 177.835 176.300 -0.028 0.000 0.978 33 D CA 1.756 55.763 54.000 0.011 0.000 0.921 33 D CB -0.770 40.030 40.800 0.000 0.000 0.895 33 D HN 0.464 nan 8.370 nan 0.000 0.494 34 G N -0.621 108.153 108.800 -0.044 0.000 2.313 34 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 34 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 34 G C 0.598 175.423 174.900 -0.124 0.000 1.023 34 G CA 0.536 45.594 45.100 -0.069 0.000 0.626 34 G HN 0.906 nan 8.290 nan 0.000 0.503 35 Q N 0.450 120.175 119.800 -0.126 0.000 2.332 35 Q HA 0.761 5.101 4.340 -0.000 0.000 0.263 35 Q C 0.165 176.051 176.000 -0.190 0.000 0.979 35 Q CA 0.728 56.421 55.803 -0.184 0.000 0.885 35 Q CB 0.172 28.845 28.738 -0.108 0.000 1.218 35 Q HN 1.741 nan 8.270 nan 0.000 0.405 36 M N 1.344 120.783 119.600 -0.270 0.000 2.321 36 M HA 0.839 5.319 4.480 -0.000 0.000 0.315 36 M C -2.554 173.688 176.300 -0.097 0.000 1.052 36 M CA -1.831 53.377 55.300 -0.154 0.000 0.936 36 M CB 1.477 33.995 32.600 -0.137 0.000 1.639 36 M HN 0.414 nan 8.290 nan 0.000 0.433 48 S N -2.121 113.535 115.700 -0.073 0.000 4.110 48 S HA -0.211 4.259 4.470 -0.000 0.000 0.254 48 S C 1.017 175.614 174.600 -0.005 0.000 1.844 48 S CA 1.931 60.077 58.200 -0.091 0.000 4.198 48 S CB -2.048 60.996 63.200 -0.260 0.000 0.234 48 S HN 1.942 nan 8.310 nan 0.000 0.455 49 F N 1.413 121.309 119.950 -0.089 0.000 2.653 49 F HA 0.550 5.077 4.527 -0.000 0.000 0.304 49 F C 0.940 176.692 175.800 -0.080 0.000 1.092 49 F CA -0.064 57.803 58.000 -0.222 0.000 1.279 49 F CB -0.378 38.263 39.000 -0.599 0.000 1.044 49 F HN 0.181 nan 8.300 nan 0.000 0.564 50 N N 1.520 120.452 118.700 0.387 0.000 2.609 50 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 50 N C 1.979 177.581 175.510 0.154 0.000 1.157 50 N CA 0.900 54.090 53.050 0.233 0.000 0.918 50 N CB -0.040 38.516 38.487 0.115 0.000 0.978 50 N HN 0.607 nan 8.380 nan 0.000 0.448 51 T N -1.119 113.544 114.554 0.180 0.000 2.929 51 T HA -0.097 4.253 4.350 -0.000 0.000 0.271 51 T C 1.329 176.077 174.700 0.081 0.000 1.085 51 T CA 1.101 63.286 62.100 0.141 0.000 1.125 51 T CB -0.139 68.864 68.868 0.224 0.000 0.874 51 T HN 0.083 nan 8.240 nan 0.000 0.494 52 F N -1.665 118.271 119.950 -0.024 0.000 2.581 52 F HA 0.400 4.927 4.527 -0.000 0.000 0.278 52 F C -0.033 175.677 175.800 -0.150 0.000 1.000 52 F CA -0.997 56.932 58.000 -0.119 0.000 1.230 52 F CB 0.672 39.451 39.000 -0.367 0.000 1.008 52 F HN 0.038 nan 8.300 nan 0.000 0.695 53 F N 0.494 120.493 119.950 0.081 0.000 2.408 53 F HA 0.495 5.022 4.527 -0.000 0.000 0.325 53 F C 0.581 176.302 175.800 -0.132 0.000 1.082 53 F CA -1.395 56.564 58.000 -0.068 0.000 1.032 53 F CB 0.754 39.604 39.000 -0.251 0.000 1.259 53 F HN -0.273 nan 8.300 nan 0.000 0.503 54 S N -0.909 114.811 115.700 0.034 0.000 2.503 54 S HA 0.370 4.840 4.470 -0.000 0.000 0.301 54 S C -0.213 174.352 174.600 -0.058 0.000 1.087 54 S CA -0.942 57.244 58.200 -0.022 0.000 1.042 54 S CB 1.601 64.792 63.200 -0.015 0.000 1.043 54 S HN 0.698 nan 8.310 nan 0.000 0.489 55 E N 1.824 121.995 120.200 -0.049 0.000 2.301 55 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 55 E C 0.701 177.359 176.600 0.097 0.000 1.171 55 E CA -0.067 56.343 56.400 0.017 0.000 1.142 55 E CB -0.773 28.961 29.700 0.056 0.000 1.218 55 E HN 0.901 nan 8.360 nan 0.000 0.448 56 T N 0.516 115.121 114.554 0.085 0.000 2.905 56 T HA 0.279 4.629 4.350 -0.000 0.000 0.299 56 T C 0.930 175.690 174.700 0.100 0.000 1.024 56 T CA 0.496 62.650 62.100 0.090 0.000 1.151 56 T CB 0.182 69.118 68.868 0.115 0.000 0.987 56 T HN 0.316 nan 8.240 nan 0.000 0.535 57 G N 1.242 110.088 108.800 0.077 0.000 2.692 57 G HA2 0.328 4.288 3.960 -0.000 0.000 0.248 57 G HA3 0.328 4.288 3.960 -0.000 0.000 0.248 57 G C 0.346 175.282 174.900 0.060 0.000 1.340 57 G CA 0.008 45.147 45.100 0.064 0.000 0.896 57 G HN 2.203 nan 8.290 nan 0.000 0.570 58 A N -0.265 122.581 122.820 0.044 0.000 2.937 58 A HA 0.811 5.131 4.320 -0.000 0.000 0.338 58 A C 1.147 178.744 177.584 0.022 0.000 1.273 58 A CA 1.089 53.149 52.037 0.037 0.000 0.937 58 A CB -0.266 18.751 19.000 0.028 0.000 1.133 58 A HN 2.638 nan 8.150 nan 0.000 0.491 59 G N 0.679 109.491 108.800 0.020 0.000 3.989 59 G HA2 0.036 3.996 3.960 -0.000 0.000 0.183 59 G HA3 0.036 3.996 3.960 -0.000 0.000 0.183 59 G C 0.353 175.223 174.900 -0.049 0.000 0.892 59 G CA -0.356 44.733 45.100 -0.018 0.000 0.914 59 G HN 0.492 nan 8.290 nan 0.000 0.347 60 K N 0.022 120.426 120.400 0.005 0.000 2.148 60 K HA 0.705 5.025 4.320 -0.000 0.000 0.239 60 K C -0.749 175.960 176.600 0.181 0.000 1.018 60 K CA -0.578 55.719 56.287 0.016 0.000 0.923 60 K CB 0.784 33.291 32.500 0.011 0.000 1.117 60 K HN 0.173 nan 8.250 nan 0.000 0.477 61 H N 0.340 119.374 119.070 -0.059 0.000 2.597 61 H HA 0.137 4.693 4.556 -0.000 0.000 0.225 61 H C -1.268 174.068 175.328 0.014 0.000 1.422 61 H CA -0.724 55.291 56.048 -0.056 0.000 1.335 61 H CB 0.195 29.838 29.762 -0.199 0.000 1.783 61 H HN 0.312 nan 8.280 nan 0.000 0.513 62 V N 0.918 120.876 119.914 0.073 0.000 2.617 62 V HA 0.268 4.388 4.120 -0.000 0.000 0.304 62 V C -2.437 173.599 176.094 -0.096 0.000 1.040 62 V CA -1.294 60.976 62.300 -0.049 0.000 1.149 62 V CB 0.619 32.450 31.823 0.013 0.000 0.914 62 V HN 0.203 nan 8.190 nan 0.000 0.487 63 P HA 0.208 nan 4.420 nan 0.000 0.268 63 P C -0.525 176.454 177.300 -0.536 0.000 1.205 63 P CA 0.030 62.660 63.100 -0.783 0.000 0.771 63 P CB 0.269 30.927 31.700 -1.736 0.000 0.858 64 R N 2.130 122.428 120.500 -0.336 0.000 2.891 64 R HA 0.550 4.890 4.340 -0.000 0.000 0.248 64 R C -0.209 176.012 176.300 -0.133 0.000 1.439 64 R CA -0.077 55.918 56.100 -0.176 0.000 1.288 64 R CB -0.095 30.139 30.300 -0.110 0.000 1.212 64 R HN 0.502 nan 8.270 nan 0.000 0.605 65 A N 1.138 123.804 122.820 -0.256 0.000 2.527 65 A HA 0.690 5.010 4.320 -0.000 0.000 0.293 65 A C -1.398 176.090 177.584 -0.159 0.000 1.117 65 A CA -0.638 51.286 52.037 -0.188 0.000 0.723 65 A CB 2.367 21.006 19.000 -0.603 0.000 1.313 65 A HN 0.288 nan 8.150 nan 0.000 0.411 66 V N 1.033 120.940 119.914 -0.012 0.000 2.733 66 V HA 0.714 4.834 4.120 -0.000 0.000 0.306 66 V C -2.173 174.075 176.094 0.257 0.000 1.084 66 V CA -0.584 61.730 62.300 0.024 0.000 0.905 66 V CB 1.586 33.464 31.823 0.090 0.000 1.010 66 V HN 0.725 nan 8.190 nan 0.000 0.424 67 F N 6.461 126.387 119.950 -0.041 0.000 2.427 67 F HA 0.737 5.264 4.527 -0.000 0.000 0.348 67 F C 0.058 175.821 175.800 -0.062 0.000 1.125 67 F CA -1.078 56.871 58.000 -0.085 0.000 0.989 67 F CB 1.963 40.800 39.000 -0.270 0.000 1.165 67 F HN 0.446 nan 8.300 nan 0.000 0.442 68 V N 0.654 120.650 119.914 0.137 0.000 2.656 68 V HA 0.814 4.934 4.120 -0.000 0.000 0.307 68 V C -1.142 174.898 176.094 -0.089 0.000 1.051 68 V CA -0.593 61.705 62.300 -0.003 0.000 0.893 68 V CB 2.256 34.067 31.823 -0.021 0.000 0.999 68 V HN 0.550 nan 8.190 nan 0.000 0.426 69 D N 1.618 121.926 120.400 -0.154 0.000 2.602 69 D HA 0.574 5.214 4.640 -0.000 0.000 0.236 69 D C 0.142 176.323 176.300 -0.198 0.000 1.209 69 D CA -0.606 53.295 54.000 -0.166 0.000 0.831 69 D CB 2.508 43.228 40.800 -0.133 0.000 1.478 69 D HN 0.419 nan 8.370 nan 0.000 0.438 70 L N 0.683 121.797 121.223 -0.181 0.000 2.354 70 L HA 0.195 4.535 4.340 -0.000 0.000 0.212 70 L C 1.273 178.076 176.870 -0.112 0.000 1.091 70 L CA 0.307 55.048 54.840 -0.165 0.000 0.828 70 L CB -0.191 41.769 42.059 -0.165 0.000 0.973 70 L HN 0.493 nan 8.230 nan 0.000 0.461 71 E N 0.025 120.168 120.200 -0.096 0.000 2.359 71 E HA 0.201 4.551 4.350 -0.000 0.000 0.255 71 E C -2.273 174.278 176.600 -0.081 0.000 1.191 71 E CA -1.641 54.713 56.400 -0.077 0.000 0.952 71 E CB 0.521 30.179 29.700 -0.069 0.000 1.152 71 E HN -0.160 nan 8.360 nan 0.000 0.496 72 P HA 0.025 nan 4.420 nan 0.000 0.195 72 P C 0.358 177.615 177.300 -0.071 0.000 1.172 72 P CA 1.243 64.303 63.100 -0.067 0.000 0.850 72 P CB -0.061 31.607 31.700 -0.053 0.000 0.699 73 T N -1.125 113.393 114.554 -0.060 0.000 12.843 73 T HA -0.282 4.068 4.350 -0.000 0.000 0.419 73 T C 1.537 176.193 174.700 -0.074 0.000 1.441 73 T CA 2.669 64.732 62.100 -0.061 0.000 2.372 73 T CB -2.566 66.266 68.868 -0.060 0.000 2.829 73 T HN -0.013 nan 8.240 nan 0.000 0.722 74 V N 1.966 121.824 119.914 -0.093 0.000 2.283 74 V HA -0.039 4.081 4.120 -0.000 0.000 0.243 74 V C 2.588 178.602 176.094 -0.133 0.000 1.039 74 V CA 1.812 64.041 62.300 -0.118 0.000 1.016 74 V CB -0.775 30.962 31.823 -0.144 0.000 0.650 74 V HN 0.502 nan 8.190 nan 0.000 0.449 75 I N 0.733 121.222 120.570 -0.135 0.000 2.423 75 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 75 I C 2.288 178.349 176.117 -0.094 0.000 1.151 75 I CA 1.629 62.854 61.300 -0.126 0.000 1.421 75 I CB -1.237 36.703 38.000 -0.100 0.000 1.079 75 I HN 0.364 nan 8.210 nan 0.000 0.431 76 D N 1.125 121.478 120.400 -0.078 0.000 2.117 76 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 76 D C 2.292 178.561 176.300 -0.052 0.000 0.982 76 D CA 1.660 55.625 54.000 -0.058 0.000 0.828 76 D CB 0.068 40.837 40.800 -0.050 0.000 0.967 76 D HN 0.477 nan 8.370 nan 0.000 0.464 77 E N 0.512 120.677 120.200 -0.058 0.000 2.147 77 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 77 E C 2.310 178.888 176.600 -0.037 0.000 1.005 77 E CA 1.689 58.061 56.400 -0.048 0.000 0.810 77 E CB -1.012 28.654 29.700 -0.056 0.000 0.736 77 E HN 0.258 nan 8.360 nan 0.000 0.460 78 V N 1.523 121.405 119.914 -0.053 0.000 2.323 78 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 78 V C 2.245 178.332 176.094 -0.011 0.000 1.041 78 V CA 1.616 63.894 62.300 -0.036 0.000 1.025 78 V CB -0.685 31.064 31.823 -0.123 0.000 0.656 78 V HN 0.677 nan 8.190 nan 0.000 0.451 79 R N 0.148 120.629 120.500 -0.032 0.000 2.535 79 R HA 0.116 4.456 4.340 -0.000 0.000 0.233 79 R C 1.052 177.351 176.300 -0.001 0.000 1.202 79 R CA 0.645 56.739 56.100 -0.010 0.000 1.205 79 R CB -0.597 29.690 30.300 -0.022 0.000 1.153 79 R HN 0.435 nan 8.270 nan 0.000 0.512 80 T N -0.401 114.153 114.554 0.000 0.000 3.238 80 T HA 0.178 4.528 4.350 -0.000 0.000 0.242 80 T C 0.634 175.332 174.700 -0.004 0.000 0.980 80 T CA 0.612 62.709 62.100 -0.006 0.000 1.235 80 T CB 0.370 69.227 68.868 -0.017 0.000 1.069 80 T HN 0.464 nan 8.240 nan 0.000 0.407 81 G N 2.156 110.950 108.800 -0.010 0.000 2.338 81 G HA2 0.468 4.428 3.960 -0.000 0.000 0.298 81 G HA3 0.468 4.428 3.960 -0.000 0.000 0.298 81 G C -0.321 174.551 174.900 -0.047 0.000 1.140 81 G CA -0.275 44.800 45.100 -0.042 0.000 0.860 81 G HN 0.287 nan 8.290 nan 0.000 0.470 82 T N 1.843 116.350 114.554 -0.079 0.000 2.867 82 T HA -0.028 4.322 4.350 -0.000 0.000 0.290 82 T C 0.438 175.116 174.700 -0.035 0.000 1.025 82 T CA 1.230 63.307 62.100 -0.038 0.000 1.146 82 T CB -0.119 68.717 68.868 -0.053 0.000 1.024 82 T HN 0.775 nan 8.240 nan 0.000 0.519 83 Y N -0.826 119.523 120.300 0.083 0.000 3.246 83 Y HA -0.263 4.287 4.550 -0.000 0.000 0.400 83 Y C 2.144 178.158 175.900 0.191 0.000 1.485 83 Y CA 0.003 58.196 58.100 0.155 0.000 1.529 83 Y CB -1.034 37.562 38.460 0.228 0.000 0.857 83 Y HN 0.560 nan 8.280 nan 0.000 0.374 84 R N 1.626 122.284 120.500 0.263 0.000 2.174 84 R HA -0.248 4.092 4.340 -0.000 0.000 0.253 84 R C 1.266 177.646 176.300 0.133 0.000 1.165 84 R CA 2.327 58.520 56.100 0.155 0.000 0.984 84 R CB -0.078 30.269 30.300 0.078 0.000 0.873 84 R HN 0.404 nan 8.270 nan 0.000 0.456 85 Q N 0.040 119.916 119.800 0.127 0.000 2.432 85 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 85 Q C 1.758 177.767 176.000 0.015 0.000 0.945 85 Q CA 0.450 56.287 55.803 0.055 0.000 0.924 85 Q CB 0.240 29.007 28.738 0.047 0.000 1.016 85 Q HN 0.303 nan 8.270 nan 0.000 0.503 86 L N -0.810 120.446 121.223 0.055 0.000 2.249 86 L HA 0.161 4.501 4.340 -0.000 0.000 0.207 86 L C 0.323 176.972 176.870 -0.368 0.000 1.090 86 L CA 0.926 55.666 54.840 -0.168 0.000 0.802 86 L CB 0.144 42.013 42.059 -0.316 0.000 0.947 86 L HN -0.104 nan 8.230 nan 0.000 0.453 87 F N -1.892 117.954 119.950 -0.173 0.000 2.452 87 F HA 0.346 4.873 4.527 -0.000 0.000 0.353 87 F C 0.188 175.871 175.800 -0.196 0.000 1.089 87 F CA -0.720 57.146 58.000 -0.223 0.000 1.080 87 F CB 0.333 39.166 39.000 -0.277 0.000 1.399 87 F HN -0.266 nan 8.300 nan 0.000 0.492 88 H N 1.775 120.885 119.070 0.066 0.000 2.488 88 H HA 0.215 4.771 4.556 -0.000 0.000 0.322 88 H C -1.642 173.693 175.328 0.012 0.000 1.078 88 H CA -1.510 54.549 56.048 0.018 0.000 1.260 88 H CB 1.403 31.156 29.762 -0.015 0.000 1.425 88 H HN 0.134 nan 8.280 nan 0.000 0.471 89 P HA -0.306 nan 4.420 nan 0.000 0.219 89 P C 1.021 178.350 177.300 0.048 0.000 1.151 89 P CA 1.466 64.600 63.100 0.056 0.000 0.850 89 P CB 0.462 32.194 31.700 0.053 0.000 0.784 90 E N 1.091 121.337 120.200 0.078 0.000 2.077 90 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 90 E C 1.625 178.230 176.600 0.010 0.000 0.989 90 E CA 1.122 57.541 56.400 0.031 0.000 0.800 90 E CB -1.262 28.443 29.700 0.007 0.000 0.746 90 E HN 0.455 nan 8.360 nan 0.000 0.452 91 Q N 0.888 120.695 119.800 0.012 0.000 2.515 91 Q HA 0.136 4.476 4.340 -0.000 0.000 0.214 91 Q C -0.025 175.928 176.000 -0.078 0.000 0.971 91 Q CA 0.251 56.031 55.803 -0.038 0.000 0.952 91 Q CB -0.425 28.275 28.738 -0.063 0.000 0.999 91 Q HN 0.228 nan 8.270 nan 0.000 0.524 92 L N 0.518 121.707 121.223 -0.055 0.000 2.366 92 L HA 0.465 4.805 4.340 -0.000 0.000 0.266 92 L C -0.718 176.141 176.870 -0.018 0.000 1.010 92 L CA -0.532 54.286 54.840 -0.036 0.000 0.879 92 L CB 0.834 42.848 42.059 -0.075 0.000 1.228 92 L HN -0.025 nan 8.230 nan 0.000 0.439 93 I N 2.230 122.797 120.570 -0.005 0.000 2.371 93 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 93 I C 0.911 176.992 176.117 -0.059 0.000 1.028 93 I CA 0.205 61.488 61.300 -0.028 0.000 1.345 93 I CB 1.593 39.581 38.000 -0.021 0.000 1.407 93 I HN 0.695 nan 8.210 nan 0.000 0.501 94 T N 1.989 116.504 114.554 -0.065 0.000 2.950 94 T HA 0.734 5.084 4.350 -0.000 0.000 0.288 94 T C 0.363 175.012 174.700 -0.086 0.000 1.035 94 T CA -0.502 61.548 62.100 -0.082 0.000 1.028 94 T CB 1.860 70.688 68.868 -0.067 0.000 1.109 94 T HN 0.700 nan 8.240 nan 0.000 0.514 95 G N 0.516 109.259 108.800 -0.095 0.000 4.658 95 G HA2 0.335 4.295 3.960 -0.000 0.000 0.279 95 G HA3 0.335 4.295 3.960 -0.000 0.000 0.279 95 G C 0.462 175.320 174.900 -0.070 0.000 0.997 95 G CA 0.292 45.337 45.100 -0.092 0.000 0.765 95 G HN 0.907 nan 8.290 nan 0.000 0.442 96 K N -0.777 119.588 120.400 -0.057 0.000 10.669 96 K HA -0.260 4.060 4.320 -0.000 0.000 0.523 96 K C 0.374 176.948 176.600 -0.042 0.000 0.380 96 K CA 2.069 58.330 56.287 -0.043 0.000 1.946 96 K CB -0.997 31.484 32.500 -0.032 0.000 0.755 96 K HN 0.527 nan 8.250 nan 0.000 1.190 97 E N 1.377 121.552 120.200 -0.043 0.000 2.207 97 E HA 0.209 4.559 4.350 -0.000 0.000 0.270 97 E C -0.786 175.785 176.600 -0.049 0.000 0.927 97 E CA -0.670 55.708 56.400 -0.037 0.000 0.799 97 E CB 1.406 31.093 29.700 -0.023 0.000 1.172 97 E HN 0.245 nan 8.360 nan 0.000 0.404 98 D N 1.976 122.347 120.400 -0.048 0.000 2.357 98 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 98 D C 0.204 176.473 176.300 -0.051 0.000 1.153 98 D CA 0.314 54.280 54.000 -0.056 0.000 0.918 98 D CB 1.542 42.308 40.800 -0.056 0.000 1.181 98 D HN 0.550 nan 8.370 nan 0.000 0.435 99 A N 1.976 124.763 122.820 -0.055 0.000 2.169 99 A HA 0.352 4.672 4.320 -0.000 0.000 0.212 99 A C 1.040 178.592 177.584 -0.054 0.000 1.153 99 A CA 1.004 53.015 52.037 -0.043 0.000 0.756 99 A CB -0.431 18.549 19.000 -0.033 0.000 0.813 99 A HN 1.000 nan 8.150 nan 0.000 0.471 100 A N 0.306 123.082 122.820 -0.073 0.000 2.203 100 A HA -0.193 4.127 4.320 -0.000 0.000 0.279 100 A C 0.647 178.152 177.584 -0.133 0.000 1.396 100 A CA 0.750 52.719 52.037 -0.114 0.000 0.747 100 A CB -2.354 16.560 19.000 -0.142 0.000 1.151 100 A HN 0.940 nan 8.150 nan 0.000 0.345 101 N N -0.688 117.958 118.700 -0.090 0.000 2.696 101 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 101 N C -0.159 175.316 175.510 -0.058 0.000 1.090 101 N CA 1.823 54.827 53.050 -0.076 0.000 0.716 101 N CB -0.930 37.477 38.487 -0.134 0.000 1.020 101 N HN 1.240 nan 8.380 nan 0.000 0.548 102 N N -0.908 117.770 118.700 -0.037 0.000 2.478 102 N HA 0.025 4.765 4.740 -0.000 0.000 0.291 102 N C 0.654 176.211 175.510 0.079 0.000 1.090 102 N CA -0.511 52.506 53.050 -0.055 0.000 0.911 102 N CB 0.729 39.037 38.487 -0.299 0.000 1.546 102 N HN 0.041 nan 8.380 nan 0.000 0.500 103 Y N 4.696 125.090 120.300 0.157 0.000 2.097 103 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 103 Y C 2.276 178.305 175.900 0.215 0.000 1.152 103 Y CA 2.726 60.967 58.100 0.234 0.000 1.136 103 Y CB -0.243 38.422 38.460 0.342 0.000 0.975 103 Y HN 0.753 nan 8.280 nan 0.000 0.498 104 A N 0.679 123.822 122.820 0.538 0.000 1.896 104 A HA -0.390 3.930 4.320 -0.000 0.000 0.220 104 A C 2.250 179.976 177.584 0.236 0.000 1.206 104 A CA 2.656 54.983 52.037 0.484 0.000 0.647 104 A CB -1.107 18.190 19.000 0.495 0.000 0.828 104 A HN 0.611 nan 8.150 nan 0.000 0.455 105 R N -0.689 119.881 120.500 0.117 0.000 2.083 105 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 105 R C 2.275 178.597 176.300 0.037 0.000 1.137 105 R CA 2.102 58.248 56.100 0.075 0.000 0.951 105 R CB -1.056 29.257 30.300 0.021 0.000 0.851 105 R HN 0.443 nan 8.270 nan 0.000 0.434 106 G N -1.292 107.493 108.800 -0.024 0.000 2.418 106 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 106 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 106 G C 1.361 176.203 174.900 -0.097 0.000 1.158 106 G CA 1.291 46.358 45.100 -0.054 0.000 0.771 106 G HN 0.561 nan 8.290 nan 0.000 0.545 107 H N -1.541 117.270 119.070 -0.430 0.000 2.294 107 H HA 0.094 4.650 4.556 -0.000 0.000 0.306 107 H C 2.225 177.342 175.328 -0.353 0.000 1.065 107 H CA 1.376 57.068 56.048 -0.593 0.000 1.343 107 H CB 0.176 29.235 29.762 -1.173 0.000 1.396 107 H HN 0.435 nan 8.280 nan 0.000 0.506 108 Y N -1.349 119.058 120.300 0.180 0.000 2.396 108 Y HA 0.030 4.580 4.550 -0.000 0.000 0.292 108 Y C 2.611 178.573 175.900 0.104 0.000 1.128 108 Y CA 0.847 59.040 58.100 0.154 0.000 1.194 108 Y CB 0.153 38.686 38.460 0.122 0.000 1.124 108 Y HN 0.155 nan 8.280 nan 0.000 0.543 109 T N 0.152 114.855 114.554 0.249 0.000 2.818 109 T HA -0.064 4.286 4.350 -0.000 0.000 0.246 109 T C 1.711 176.476 174.700 0.107 0.000 1.036 109 T CA 1.032 63.230 62.100 0.162 0.000 1.160 109 T CB -0.427 68.524 68.868 0.139 0.000 0.869 109 T HN 0.110 nan 8.240 nan 0.000 0.419 110 I N 1.234 121.850 120.570 0.077 0.000 3.059 110 I HA 0.191 4.361 4.170 -0.000 0.000 0.270 110 I C 2.148 178.291 176.117 0.043 0.000 1.238 110 I CA 0.348 61.672 61.300 0.039 0.000 1.478 110 I CB -0.307 37.697 38.000 0.006 0.000 1.097 110 I HN 0.294 nan 8.210 nan 0.000 0.455 111 G N -0.027 108.823 108.800 0.084 0.000 2.505 111 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.214 111 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.214 111 G C 1.589 176.570 174.900 0.136 0.000 1.237 111 G CA 0.687 45.879 45.100 0.153 0.000 0.802 111 G HN 0.239 nan 8.290 nan 0.000 0.549 112 K N -0.187 120.277 120.400 0.106 0.000 2.285 112 K HA -0.300 4.020 4.320 -0.000 0.000 0.214 112 K C 2.352 178.996 176.600 0.074 0.000 1.015 112 K CA 2.260 58.602 56.287 0.091 0.000 0.930 112 K CB -0.055 32.505 32.500 0.101 0.000 0.887 112 K HN 0.293 nan 8.250 nan 0.000 0.486 113 E N -0.429 119.811 120.200 0.067 0.000 2.122 113 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 113 E C 1.955 178.579 176.600 0.040 0.000 0.977 113 E CA 0.885 57.312 56.400 0.043 0.000 0.820 113 E CB 0.003 29.719 29.700 0.027 0.000 0.770 113 E HN 0.299 nan 8.360 nan 0.000 0.462 114 I N 0.949 121.550 120.570 0.052 0.000 3.462 114 I HA -0.000 4.170 4.170 -0.000 0.000 0.290 114 I C 2.013 178.205 176.117 0.124 0.000 1.236 114 I CA 0.051 61.373 61.300 0.038 0.000 1.418 114 I CB 0.159 38.114 38.000 -0.075 0.000 1.102 114 I HN 0.032 nan 8.210 nan 0.000 0.441 115 I N 0.482 121.173 120.570 0.202 0.000 2.286 115 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 115 I C 1.744 177.908 176.117 0.079 0.000 1.115 115 I CA 1.767 63.188 61.300 0.201 0.000 1.392 115 I CB -0.278 37.770 38.000 0.080 0.000 1.065 115 I HN 0.277 nan 8.210 nan 0.000 0.418 116 D N 0.492 120.922 120.400 0.050 0.000 2.178 116 D HA -0.180 4.460 4.640 -0.000 0.000 0.202 116 D C 2.023 178.339 176.300 0.028 0.000 0.974 116 D CA 0.986 54.999 54.000 0.022 0.000 0.841 116 D CB 0.221 41.031 40.800 0.017 0.000 0.953 116 D HN 0.315 nan 8.370 nan 0.000 0.478 117 L N 0.494 121.742 121.223 0.042 0.000 2.049 117 L HA -0.110 4.230 4.340 -0.000 0.000 0.203 117 L C 2.340 179.238 176.870 0.048 0.000 1.074 117 L CA 1.070 55.931 54.840 0.035 0.000 0.749 117 L CB -0.423 41.651 42.059 0.025 0.000 0.907 117 L HN -0.196 nan 8.230 nan 0.000 0.439 118 V N -0.157 119.806 119.914 0.082 0.000 2.231 118 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 118 V C 2.555 178.694 176.094 0.075 0.000 1.054 118 V CA 2.134 64.496 62.300 0.104 0.000 1.015 118 V CB -0.859 31.095 31.823 0.219 0.000 0.638 118 V HN 0.459 nan 8.190 nan 0.000 0.444 119 L N 0.636 121.891 121.223 0.054 0.000 2.151 119 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 119 L C 2.156 179.052 176.870 0.043 0.000 1.084 119 L CA 2.666 57.518 54.840 0.019 0.000 0.764 119 L CB -0.563 41.480 42.059 -0.025 0.000 0.891 119 L HN 0.668 nan 8.230 nan 0.000 0.435 120 D N -1.727 118.695 120.400 0.036 0.000 2.240 120 D HA -0.170 4.470 4.640 -0.000 0.000 0.206 120 D C 2.307 178.634 176.300 0.046 0.000 0.963 120 D CA 0.525 54.547 54.000 0.035 0.000 0.863 120 D CB -0.054 40.757 40.800 0.018 0.000 0.973 120 D HN 0.138 nan 8.370 nan 0.000 0.501 121 R N -0.276 120.250 120.500 0.043 0.000 2.189 121 R HA 0.104 4.444 4.340 -0.000 0.000 0.218 121 R C 1.986 178.316 176.300 0.050 0.000 1.074 121 R CA 0.487 56.609 56.100 0.036 0.000 0.991 121 R CB -0.061 30.256 30.300 0.029 0.000 0.883 121 R HN 0.316 nan 8.270 nan 0.000 0.457 122 I N -0.335 120.281 120.570 0.077 0.000 2.233 122 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 122 I C 2.321 178.524 176.117 0.143 0.000 1.093 122 I CA 1.004 62.369 61.300 0.108 0.000 1.380 122 I CB -0.090 37.976 38.000 0.109 0.000 1.067 122 I HN 0.032 nan 8.210 nan 0.000 0.413 123 R N 0.872 121.475 120.500 0.173 0.000 2.249 123 R HA -0.189 4.151 4.340 -0.000 0.000 0.230 123 R C 2.054 178.417 176.300 0.104 0.000 1.121 123 R CA 1.225 57.441 56.100 0.194 0.000 0.997 123 R CB -0.069 30.321 30.300 0.150 0.000 0.867 123 R HN 0.169 nan 8.270 nan 0.000 0.465 124 K N -0.389 120.047 120.400 0.060 0.000 2.062 124 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 124 K C 1.660 178.265 176.600 0.008 0.000 1.051 124 K CA 1.061 57.359 56.287 0.019 0.000 0.941 124 K CB 0.060 32.556 32.500 -0.008 0.000 0.719 124 K HN 0.134 nan 8.250 nan 0.000 0.440 125 L N -0.169 121.063 121.223 0.015 0.000 2.109 125 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 125 L C 2.290 179.153 176.870 -0.011 0.000 1.086 125 L CA 0.948 55.783 54.840 -0.008 0.000 0.760 125 L CB -0.368 41.689 42.059 -0.004 0.000 0.910 125 L HN 0.207 nan 8.230 nan 0.000 0.437 126 A N -0.580 122.252 122.820 0.020 0.000 2.121 126 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 126 A C 1.666 179.258 177.584 0.013 0.000 1.154 126 A CA 1.588 53.621 52.037 -0.005 0.000 0.679 126 A CB -0.343 18.679 19.000 0.036 0.000 0.795 126 A HN 0.306 nan 8.150 nan 0.000 0.458 127 D N -0.356 120.060 120.400 0.026 0.000 2.289 127 D HA -0.031 4.609 4.640 -0.000 0.000 0.207 127 D C 1.450 177.750 176.300 -0.000 0.000 0.966 127 D CA 0.948 54.961 54.000 0.021 0.000 0.868 127 D CB -0.060 40.755 40.800 0.025 0.000 0.943 127 D HN 0.796 nan 8.370 nan 0.000 0.514 128 Q N -0.096 119.696 119.800 -0.013 0.000 2.399 128 Q HA 0.305 4.645 4.340 -0.000 0.000 0.307 128 Q C -0.770 175.215 176.000 -0.026 0.000 0.933 128 Q CA -0.105 55.686 55.803 -0.020 0.000 0.995 128 Q CB -0.241 28.481 28.738 -0.028 0.000 1.191 128 Q HN -0.016 nan 8.270 nan 0.000 0.426 129 C N 1.520 120.804 119.300 -0.027 0.000 2.599 129 C HA 0.339 4.799 4.460 -0.000 0.000 0.354 129 C C 0.191 175.162 174.990 -0.031 0.000 1.092 129 C CA -0.819 58.175 59.018 -0.040 0.000 1.280 129 C CB 1.533 29.231 27.740 -0.070 0.000 1.829 129 C HN 0.572 nan 8.230 nan 0.000 0.454 130 T N -0.252 114.287 114.554 -0.025 0.000 3.162 130 T HA 0.528 4.877 4.350 -0.000 0.000 0.316 130 T C 0.751 175.436 174.700 -0.024 0.000 1.182 130 T CA 0.543 62.632 62.100 -0.018 0.000 1.015 130 T CB 0.164 69.025 68.868 -0.011 0.000 1.089 130 T HN 1.916 nan 8.240 nan 0.000 0.646 131 G N 2.307 111.090 108.800 -0.029 0.000 2.742 131 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.257 131 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.257 131 G C -0.354 174.505 174.900 -0.068 0.000 1.143 131 G CA -0.513 44.565 45.100 -0.036 0.000 1.064 131 G HN 1.068 nan 8.290 nan 0.000 0.529 132 L N 0.224 121.390 121.223 -0.095 0.000 2.456 132 L HA 0.532 4.872 4.340 -0.000 0.000 0.272 132 L C 1.375 178.132 176.870 -0.187 0.000 1.189 132 L CA 0.853 55.591 54.840 -0.171 0.000 0.846 132 L CB 0.910 42.826 42.059 -0.238 0.000 1.111 132 L HN 0.568 nan 8.230 nan 0.000 0.475 133 Q N 3.370 123.038 119.800 -0.220 0.000 1.868 133 Q HA 0.336 4.676 4.340 -0.000 0.000 0.233 133 Q C 0.425 176.252 176.000 -0.288 0.000 0.967 133 Q CA 0.916 56.604 55.803 -0.192 0.000 0.863 133 Q CB 0.071 28.726 28.738 -0.139 0.000 0.907 133 Q HN 0.953 nan 8.270 nan 0.000 0.442 134 G N -1.420 107.149 108.800 -0.385 0.000 2.911 134 G HA2 0.515 4.475 3.960 -0.000 0.000 0.299 134 G HA3 0.515 4.475 3.960 -0.000 0.000 0.299 134 G C -1.610 172.868 174.900 -0.702 0.000 1.283 134 G CA -0.815 43.998 45.100 -0.478 0.000 0.805 134 G HN 0.265 nan 8.290 nan 0.000 0.548 135 F N -0.449 119.443 119.950 -0.096 0.000 2.522 135 F HA 0.650 5.177 4.527 -0.000 0.000 0.324 135 F C 0.058 175.848 175.800 -0.017 0.000 1.077 135 F CA -0.800 57.161 58.000 -0.065 0.000 0.944 135 F CB 2.282 41.243 39.000 -0.064 0.000 1.175 135 F HN 0.037 nan 8.300 nan 0.000 0.468 136 L N 3.423 124.798 121.223 0.253 0.000 2.280 136 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 136 L C -0.942 176.080 176.870 0.252 0.000 1.023 136 L CA -0.849 54.129 54.840 0.229 0.000 0.819 136 L CB 1.405 43.664 42.059 0.333 0.000 1.212 136 L HN 0.322 nan 8.230 nan 0.000 0.420 137 V N 4.195 124.197 119.914 0.146 0.000 2.311 137 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 137 V C -0.259 175.945 176.094 0.184 0.000 1.022 137 V CA -0.288 62.111 62.300 0.166 0.000 0.830 137 V CB 0.899 32.760 31.823 0.064 0.000 1.012 137 V HN 0.351 nan 8.190 nan 0.000 0.452 138 F N 5.722 125.727 119.950 0.092 0.000 2.410 138 F HA 0.659 5.186 4.527 -0.000 0.000 0.349 138 F C 0.508 176.449 175.800 0.236 0.000 1.117 138 F CA -0.190 57.879 58.000 0.116 0.000 1.104 138 F CB 0.884 39.799 39.000 -0.142 0.000 1.122 138 F HN 0.684 nan 8.300 nan 0.000 0.483 139 H N -0.701 118.505 119.070 0.226 0.000 3.060 139 H HA 0.384 4.940 4.556 -0.000 0.000 0.330 139 H C -1.697 173.714 175.328 0.137 0.000 1.305 139 H CA -1.171 54.980 56.048 0.173 0.000 1.209 139 H CB 0.720 30.585 29.762 0.172 0.000 1.913 139 H HN 0.446 nan 8.280 nan 0.000 0.534 140 S N 2.128 117.868 115.700 0.067 0.000 2.584 140 S HA 0.247 4.717 4.470 -0.000 0.000 0.273 140 S C 1.091 175.747 174.600 0.094 0.000 1.311 140 S CA -0.744 57.467 58.200 0.019 0.000 1.034 140 S CB 1.057 64.308 63.200 0.085 0.000 0.939 140 S HN 0.547 nan 8.310 nan 0.000 0.513 141 F N 1.518 121.442 119.950 -0.043 0.000 2.016 141 F HA 0.145 4.672 4.527 -0.000 0.000 0.290 141 F C 2.011 177.879 175.800 0.113 0.000 1.166 141 F CA 0.332 58.354 58.000 0.037 0.000 1.156 141 F CB -0.538 38.483 39.000 0.036 0.000 0.995 141 F HN 0.760 nan 8.300 nan 0.000 0.477 142 G N -0.365 108.601 108.800 0.277 0.000 2.606 142 G HA2 0.401 4.361 3.960 -0.000 0.000 0.252 142 G HA3 0.401 4.361 3.960 -0.000 0.000 0.252 142 G C -0.450 174.544 174.900 0.158 0.000 1.206 142 G CA 0.345 45.539 45.100 0.156 0.000 0.861 142 G HN 0.826 nan 8.290 nan 0.000 0.561 143 G N -1.200 107.679 108.800 0.132 0.000 2.675 143 G HA2 0.351 4.311 3.960 -0.000 0.000 0.686 143 G HA3 0.351 4.311 3.960 -0.000 0.000 0.686 143 G C 0.838 175.822 174.900 0.140 0.000 1.215 143 G CA 0.027 45.189 45.100 0.103 0.000 0.777 143 G HN 1.519 nan 8.290 nan 0.000 0.638 144 G N -0.247 108.605 108.800 0.086 0.000 2.616 144 G HA2 0.210 4.170 3.960 -0.000 0.000 0.215 144 G HA3 0.210 4.170 3.960 -0.000 0.000 0.215 144 G C 2.189 177.141 174.900 0.087 0.000 1.284 144 G CA 2.781 47.928 45.100 0.080 0.000 0.823 144 G HN 2.165 nan 8.290 nan 0.000 0.569 145 T N -0.435 114.150 114.554 0.052 0.000 2.788 145 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 145 T C 2.452 177.242 174.700 0.150 0.000 1.044 145 T CA 1.926 64.061 62.100 0.060 0.000 1.139 145 T CB -0.848 68.008 68.868 -0.020 0.000 0.867 145 T HN 0.344 nan 8.240 nan 0.000 0.454 146 G N 1.444 110.346 108.800 0.170 0.000 2.513 146 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 146 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 146 G C 2.056 177.195 174.900 0.398 0.000 1.160 146 G CA 1.893 47.159 45.100 0.277 0.000 0.767 146 G HN 0.783 nan 8.290 nan 0.000 0.571 147 S N 0.263 116.182 115.700 0.365 0.000 2.362 147 S HA 0.149 4.619 4.470 -0.000 0.000 0.221 147 S C 2.484 177.272 174.600 0.313 0.000 1.032 147 S CA 1.430 59.902 58.200 0.453 0.000 0.973 147 S CB -0.735 62.768 63.200 0.505 0.000 0.849 147 S HN 0.459 nan 8.310 nan 0.000 0.465 148 G N 0.146 108.993 108.800 0.077 0.000 2.396 148 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 148 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 148 G C 1.259 175.987 174.900 -0.287 0.000 1.166 148 G CA 0.440 45.298 45.100 -0.403 0.000 0.793 148 G HN 0.490 nan 8.290 nan 0.000 0.533 149 F N 1.752 121.569 119.950 -0.222 0.000 2.149 149 F HA -0.000 4.527 4.527 -0.000 0.000 0.294 149 F C 2.958 178.632 175.800 -0.210 0.000 1.095 149 F CA 1.749 59.618 58.000 -0.217 0.000 1.276 149 F CB -0.134 38.793 39.000 -0.122 0.000 1.023 149 F HN 0.089 nan 8.300 nan 0.000 0.480 150 T N -0.664 113.834 114.554 -0.094 0.000 2.624 150 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 150 T C 2.172 176.694 174.700 -0.296 0.000 1.041 150 T CA 1.849 63.806 62.100 -0.238 0.000 1.159 150 T CB -0.806 67.868 68.868 -0.323 0.000 0.863 150 T HN 0.287 nan 8.240 nan 0.000 0.434 151 S N 0.578 116.165 115.700 -0.188 0.000 2.353 151 S HA -0.091 4.379 4.470 -0.000 0.000 0.222 151 S C 1.976 176.368 174.600 -0.347 0.000 1.035 151 S CA 1.273 59.406 58.200 -0.113 0.000 1.025 151 S CB -0.509 62.799 63.200 0.181 0.000 0.902 151 S HN 0.372 nan 8.310 nan 0.000 0.440 152 L N 1.459 122.256 121.223 -0.710 0.000 2.083 152 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 152 L C 2.137 178.651 176.870 -0.593 0.000 1.083 152 L CA 1.407 55.780 54.840 -0.778 0.000 0.752 152 L CB -0.476 41.046 42.059 -0.895 0.000 0.899 152 L HN 0.356 nan 8.230 nan 0.000 0.433 153 L N -1.138 119.662 121.223 -0.704 0.000 1.956 153 L HA -0.293 4.047 4.340 -0.000 0.000 0.216 153 L C 2.614 179.249 176.870 -0.392 0.000 1.073 153 L CA 2.146 56.631 54.840 -0.593 0.000 0.762 153 L CB -0.418 41.299 42.059 -0.570 0.000 0.889 153 L HN 0.362 nan 8.230 nan 0.000 0.433 154 M N -0.634 118.773 119.600 -0.322 0.000 2.106 154 M HA -0.237 4.243 4.480 -0.000 0.000 0.259 154 M C 2.032 178.121 176.300 -0.351 0.000 1.068 154 M CA 1.645 56.804 55.300 -0.235 0.000 1.100 154 M CB -1.192 31.345 32.600 -0.106 0.000 1.351 154 M HN 0.336 nan 8.290 nan 0.000 0.404 155 E N -0.119 119.827 120.200 -0.423 0.000 2.070 155 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 155 E C 2.219 178.558 176.600 -0.434 0.000 1.004 155 E CA 1.046 57.074 56.400 -0.620 0.000 0.805 155 E CB -0.346 29.173 29.700 -0.302 0.000 0.744 155 E HN 0.462 nan 8.360 nan 0.000 0.451 156 R N 0.489 120.799 120.500 -0.316 0.000 2.075 156 R HA 0.025 4.365 4.340 -0.000 0.000 0.226 156 R C 2.634 178.810 176.300 -0.207 0.000 1.114 156 R CA 0.450 56.407 56.100 -0.239 0.000 0.972 156 R CB -0.707 29.460 30.300 -0.222 0.000 0.869 156 R HN 0.188 nan 8.270 nan 0.000 0.437 157 L N 0.433 121.535 121.223 -0.201 0.000 2.079 157 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 157 L C 2.512 179.376 176.870 -0.010 0.000 1.081 157 L CA 1.269 56.053 54.840 -0.093 0.000 0.752 157 L CB -0.430 41.500 42.059 -0.215 0.000 0.896 157 L HN 0.110 nan 8.230 nan 0.000 0.433 158 S N -1.101 114.536 115.700 -0.105 0.000 2.400 158 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 158 S C 1.857 176.422 174.600 -0.058 0.000 1.025 158 S CA 1.231 59.394 58.200 -0.062 0.000 0.993 158 S CB -0.038 63.061 63.200 -0.168 0.000 0.808 158 S HN 0.208 nan 8.310 nan 0.000 0.478 159 V N 0.947 120.788 119.914 -0.121 0.000 2.331 159 V HA -0.048 4.072 4.120 -0.000 0.000 0.242 159 V C 1.784 177.789 176.094 -0.148 0.000 1.034 159 V CA 1.694 63.927 62.300 -0.110 0.000 1.027 159 V CB -0.675 31.077 31.823 -0.117 0.000 0.667 159 V HN 0.346 nan 8.190 nan 0.000 0.457 160 D N -1.401 118.851 120.400 -0.248 0.000 2.264 160 D HA -0.072 4.568 4.640 -0.000 0.000 0.208 160 D C -0.111 175.777 176.300 -0.687 0.000 0.966 160 D CA 1.038 54.748 54.000 -0.482 0.000 0.864 160 D CB -0.032 40.390 40.800 -0.631 0.000 0.933 160 D HN 0.564 nan 8.370 nan 0.000 0.499 161 Y N -0.863 119.455 120.300 0.029 0.000 2.363 161 Y HA 0.420 4.970 4.550 -0.000 0.000 0.325 161 Y C 1.285 177.222 175.900 0.061 0.000 0.984 161 Y CA -1.117 57.032 58.100 0.081 0.000 1.248 161 Y CB 1.686 40.273 38.460 0.212 0.000 1.116 161 Y HN -0.188 nan 8.280 nan 0.000 0.470 162 G N 3.021 111.918 108.800 0.160 0.000 2.950 162 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.190 162 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.190 162 G C 1.238 176.196 174.900 0.097 0.000 1.458 162 G CA 0.972 46.130 45.100 0.096 0.000 0.800 162 G HN 0.619 nan 8.290 nan 0.000 0.685 163 K N 0.714 121.159 120.400 0.075 0.000 1.973 163 K HA -0.020 4.300 4.320 -0.000 0.000 0.212 163 K C 0.678 177.316 176.600 0.063 0.000 1.047 163 K CA 0.989 57.310 56.287 0.056 0.000 0.937 163 K CB -0.253 32.268 32.500 0.035 0.000 0.721 163 K HN 0.131 nan 8.250 nan 0.000 0.440 164 K N 2.701 123.135 120.400 0.057 0.000 2.587 164 K HA -0.147 4.173 4.320 -0.000 0.000 0.252 164 K C 0.008 176.644 176.600 0.060 0.000 1.092 164 K CA 0.739 57.041 56.287 0.026 0.000 1.135 164 K CB -1.271 31.250 32.500 0.035 0.000 0.921 164 K HN 0.397 nan 8.250 nan 0.000 0.504 165 S N 2.576 118.285 115.700 0.014 0.000 2.614 165 S HA 0.385 4.855 4.470 -0.000 0.000 0.265 165 S C -0.087 174.544 174.600 0.051 0.000 1.303 165 S CA -0.579 57.636 58.200 0.025 0.000 1.000 165 S CB 1.509 64.708 63.200 -0.001 0.000 0.935 165 S HN 0.457 nan 8.310 nan 0.000 0.551 166 K N 0.655 121.067 120.400 0.019 0.000 2.507 166 K HA 0.502 4.822 4.320 -0.000 0.000 0.252 166 K C -1.780 174.755 176.600 -0.108 0.000 0.943 166 K CA -0.538 55.764 56.287 0.025 0.000 0.808 166 K CB 1.614 34.139 32.500 0.041 0.000 1.142 166 K HN 0.392 nan 8.250 nan 0.000 0.426 167 L N 3.170 124.322 121.223 -0.118 0.000 2.287 167 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 167 L C -0.178 176.548 176.870 -0.239 0.000 1.022 167 L CA -0.132 54.543 54.840 -0.275 0.000 0.814 167 L CB 1.331 43.215 42.059 -0.293 0.000 1.217 167 L HN 0.629 nan 8.230 nan 0.000 0.420 168 E N 3.369 123.370 120.200 -0.332 0.000 2.207 168 E HA 0.408 4.758 4.350 -0.000 0.000 0.270 168 E C -1.555 174.844 176.600 -0.335 0.000 0.927 168 E CA -0.598 55.702 56.400 -0.167 0.000 0.799 168 E CB 1.393 31.106 29.700 0.021 0.000 1.172 168 E HN 0.333 nan 8.360 nan 0.000 0.404 169 F N 1.971 121.794 119.950 -0.212 0.000 2.366 169 F HA 0.280 4.807 4.527 -0.000 0.000 0.366 169 F C -0.223 175.453 175.800 -0.207 0.000 1.096 169 F CA -0.529 57.346 58.000 -0.208 0.000 1.060 169 F CB 1.862 40.591 39.000 -0.452 0.000 1.282 169 F HN 0.301 nan 8.300 nan 0.000 0.450 170 S N 3.553 119.136 115.700 -0.194 0.000 2.554 170 S HA 0.533 5.003 4.470 -0.000 0.000 0.278 170 S C -0.159 174.206 174.600 -0.392 0.000 1.242 170 S CA -0.440 57.392 58.200 -0.613 0.000 1.051 170 S CB 1.144 63.575 63.200 -1.283 0.000 0.986 170 S HN 0.345 nan 8.310 nan 0.000 0.502 171 I N 3.384 123.764 120.570 -0.316 0.000 2.377 171 I HA 0.175 4.345 4.170 -0.000 0.000 0.282 171 I C -0.349 175.799 176.117 0.052 0.000 1.091 171 I CA -0.387 60.872 61.300 -0.068 0.000 1.207 171 I CB -0.219 37.789 38.000 0.014 0.000 1.429 171 I HN 0.602 nan 8.210 nan 0.000 0.491 172 Y N 9.153 129.431 120.300 -0.037 0.000 2.805 172 Y HA 0.133 4.683 4.550 -0.000 0.000 0.331 172 Y C -2.141 173.835 175.900 0.127 0.000 1.241 172 Y CA -1.453 56.769 58.100 0.204 0.000 1.546 172 Y CB 0.207 38.730 38.460 0.104 0.000 1.248 172 Y HN 0.356 nan 8.280 nan 0.000 0.559 173 P HA 0.463 nan 4.420 nan 0.000 0.290 173 P C -1.768 175.460 177.300 -0.119 0.000 1.275 173 P CA -0.586 62.462 63.100 -0.088 0.000 0.841 173 P CB 1.789 33.438 31.700 -0.086 0.000 1.042 174 A N 4.045 126.845 122.820 -0.033 0.000 2.375 174 A HA 0.566 4.886 4.320 -0.000 0.000 0.295 174 A C -1.804 175.734 177.584 -0.076 0.000 1.066 174 A CA -1.677 50.336 52.037 -0.040 0.000 0.722 174 A CB 0.877 19.873 19.000 -0.007 0.000 1.206 174 A HN 0.270 nan 8.150 nan 0.000 0.435 175 P HA -0.335 nan 4.420 nan 0.000 0.220 175 P C 1.323 178.555 177.300 -0.114 0.000 1.155 175 P CA 2.035 65.089 63.100 -0.077 0.000 0.880 175 P CB 0.117 31.783 31.700 -0.057 0.000 0.790 176 Q N -0.488 119.198 119.800 -0.190 0.000 1.990 176 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 176 Q C 1.363 177.202 176.000 -0.268 0.000 0.980 176 Q CA 1.258 56.894 55.803 -0.279 0.000 0.832 176 Q CB -1.205 27.226 28.738 -0.511 0.000 0.897 176 Q HN 0.169 nan 8.270 nan 0.000 0.427 177 V N 1.904 121.643 119.914 -0.292 0.000 2.180 177 V HA 0.309 4.429 4.120 -0.000 0.000 0.265 177 V C -0.502 175.545 176.094 -0.077 0.000 1.214 177 V CA -0.019 62.155 62.300 -0.211 0.000 1.130 177 V CB 0.483 32.128 31.823 -0.297 0.000 1.266 177 V HN 0.448 nan 8.190 nan 0.000 0.473 178 S N 2.690 118.363 115.700 -0.045 0.000 2.971 178 S HA 0.596 5.066 4.470 -0.000 0.000 0.320 178 S C 0.593 175.194 174.600 0.002 0.000 1.111 178 S CA 0.448 58.658 58.200 0.016 0.000 0.870 178 S CB 2.340 65.534 63.200 -0.009 0.000 1.331 178 S HN 0.430 nan 8.310 nan 0.000 0.635 179 T N -0.328 114.223 114.554 -0.004 0.000 3.123 179 T HA 0.459 4.809 4.350 -0.000 0.000 0.259 179 T C -0.183 174.487 174.700 -0.050 0.000 0.871 179 T CA 0.536 62.623 62.100 -0.021 0.000 0.857 179 T CB -0.035 68.829 68.868 -0.007 0.000 1.267 179 T HN 0.847 nan 8.240 nan 0.000 0.556 180 A N 1.400 124.184 122.820 -0.060 0.000 2.289 180 A HA 0.623 4.943 4.320 -0.000 0.000 0.298 180 A C 1.363 178.869 177.584 -0.131 0.000 1.208 180 A CA -0.313 51.660 52.037 -0.107 0.000 0.845 180 A CB 0.637 19.579 19.000 -0.097 0.000 1.125 180 A HN 0.227 nan 8.150 nan 0.000 0.517 181 V N 3.447 123.240 119.914 -0.202 0.000 2.346 181 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 181 V C 2.338 178.229 176.094 -0.338 0.000 1.037 181 V CA 1.871 64.027 62.300 -0.240 0.000 1.029 181 V CB -0.858 30.787 31.823 -0.297 0.000 0.663 181 V HN 0.767 nan 8.190 nan 0.000 0.454 182 V N 0.385 119.995 119.914 -0.507 0.000 3.330 182 V HA -0.205 3.915 4.120 -0.000 0.000 0.273 182 V C 2.262 178.253 176.094 -0.172 0.000 1.179 182 V CA 1.907 63.925 62.300 -0.470 0.000 1.174 182 V CB -0.363 31.217 31.823 -0.406 0.000 0.794 182 V HN 0.641 nan 8.190 nan 0.000 0.527 183 E N 1.087 121.221 120.200 -0.111 0.000 2.072 183 E HA -0.234 4.116 4.350 -0.000 0.000 0.218 183 E C -0.038 176.592 176.600 0.050 0.000 1.051 183 E CA 3.015 59.405 56.400 -0.016 0.000 0.880 183 E CB -1.341 28.333 29.700 -0.043 0.000 0.783 183 E HN 0.522 nan 8.360 nan 0.000 0.473 184 P HA -0.223 nan 4.420 nan 0.000 0.217 184 P C 0.956 178.458 177.300 0.337 0.000 1.162 184 P CA 1.816 65.012 63.100 0.160 0.000 0.901 184 P CB -0.287 31.544 31.700 0.219 0.000 0.793 185 Y N -0.613 119.806 120.300 0.199 0.000 2.062 185 Y HA -0.310 4.240 4.550 -0.000 0.000 0.276 185 Y C 2.359 178.296 175.900 0.061 0.000 1.189 185 Y CA 0.736 58.953 58.100 0.194 0.000 1.130 185 Y CB -0.896 37.625 38.460 0.101 0.000 0.959 185 Y HN 0.026 nan 8.280 nan 0.000 0.499 186 N N -0.014 118.866 118.700 0.299 0.000 2.166 186 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 186 N C 1.848 177.423 175.510 0.108 0.000 1.019 186 N CA 1.592 54.789 53.050 0.246 0.000 0.856 186 N CB -0.522 38.148 38.487 0.305 0.000 0.993 186 N HN 0.309 nan 8.380 nan 0.000 0.426 187 S N 1.628 117.338 115.700 0.017 0.000 2.345 187 S HA 0.005 4.475 4.470 -0.000 0.000 0.220 187 S C 2.013 176.447 174.600 -0.278 0.000 1.031 187 S CA 0.649 58.717 58.200 -0.221 0.000 0.996 187 S CB -0.264 62.691 63.200 -0.408 0.000 0.882 187 S HN 0.197 nan 8.310 nan 0.000 0.445 188 I N 1.634 122.065 120.570 -0.232 0.000 2.454 188 I HA -0.078 4.092 4.170 -0.000 0.000 0.254 188 I C 2.173 178.070 176.117 -0.367 0.000 1.156 188 I CA 0.918 61.999 61.300 -0.365 0.000 1.433 188 I CB -1.211 36.413 38.000 -0.626 0.000 1.082 188 I HN 0.248 nan 8.210 nan 0.000 0.432 189 L N 0.150 121.161 121.223 -0.353 0.000 1.982 189 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 189 L C 2.760 179.403 176.870 -0.379 0.000 1.078 189 L CA 1.947 56.470 54.840 -0.528 0.000 0.749 189 L CB -0.677 40.852 42.059 -0.883 0.000 0.894 189 L HN 0.213 nan 8.230 nan 0.000 0.436 190 T N -1.681 112.756 114.554 -0.195 0.000 2.555 190 T HA -0.318 4.032 4.350 -0.000 0.000 0.264 190 T C 1.867 176.659 174.700 0.153 0.000 1.083 190 T CA 2.542 64.752 62.100 0.184 0.000 1.179 190 T CB -0.402 68.729 68.868 0.438 0.000 0.863 190 T HN 0.323 nan 8.240 nan 0.000 0.412 191 T N -0.069 114.573 114.554 0.147 0.000 2.858 191 T HA -0.270 4.080 4.350 -0.000 0.000 0.263 191 T C 1.592 176.347 174.700 0.090 0.000 1.072 191 T CA 2.328 64.530 62.100 0.169 0.000 1.141 191 T CB -0.585 68.272 68.868 -0.017 0.000 0.821 191 T HN 0.713 nan 8.240 nan 0.000 0.517 192 H N 0.446 119.456 119.070 -0.100 0.000 2.329 192 H HA 0.060 4.616 4.556 -0.000 0.000 0.306 192 H C 2.344 177.648 175.328 -0.041 0.000 1.062 192 H CA 2.228 58.200 56.048 -0.127 0.000 1.364 192 H CB -0.630 29.003 29.762 -0.216 0.000 1.409 192 H HN 0.344 nan 8.280 nan 0.000 0.519 193 T N -1.803 112.592 114.554 -0.266 0.000 2.904 193 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 193 T C 2.055 176.756 174.700 0.002 0.000 1.059 193 T CA 1.456 63.426 62.100 -0.217 0.000 1.137 193 T CB -0.698 68.184 68.868 0.024 0.000 0.879 193 T HN 0.312 nan 8.240 nan 0.000 0.467 194 T N 2.035 116.648 114.554 0.097 0.000 2.857 194 T HA 0.118 4.468 4.350 -0.000 0.000 0.266 194 T C 1.837 176.626 174.700 0.147 0.000 1.048 194 T CA 0.893 63.094 62.100 0.168 0.000 1.139 194 T CB -0.428 68.582 68.868 0.236 0.000 0.874 194 T HN 0.522 nan 8.240 nan 0.000 0.455 195 L N 0.902 122.211 121.223 0.143 0.000 2.291 195 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 195 L C 1.891 178.847 176.870 0.143 0.000 1.120 195 L CA 1.465 56.451 54.840 0.245 0.000 0.799 195 L CB -0.407 41.809 42.059 0.262 0.000 0.925 195 L HN 0.269 nan 8.230 nan 0.000 0.446 196 E N -1.451 118.697 120.200 -0.086 0.000 2.478 196 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 196 E C 0.880 177.352 176.600 -0.213 0.000 1.045 196 E CA 0.688 56.985 56.400 -0.172 0.000 0.868 196 E CB -0.292 29.255 29.700 -0.255 0.000 0.885 196 E HN 0.689 nan 8.360 nan 0.000 0.505 197 H N -0.499 118.597 119.070 0.043 0.000 2.652 197 H HA 0.291 4.847 4.556 -0.000 0.000 0.274 197 H C 0.101 175.415 175.328 -0.023 0.000 1.021 197 H CA -0.290 55.762 56.048 0.007 0.000 1.187 197 H CB 0.943 30.697 29.762 -0.015 0.000 1.505 197 H HN -0.034 nan 8.280 nan 0.000 0.530 198 S N -0.566 115.153 115.700 0.032 0.000 2.681 198 S HA 0.135 4.605 4.470 -0.000 0.000 0.299 198 S C 0.422 174.824 174.600 -0.330 0.000 1.113 198 S CA -0.684 57.423 58.200 -0.156 0.000 1.013 198 S CB 1.469 64.544 63.200 -0.208 0.000 1.076 198 S HN 0.271 nan 8.310 nan 0.000 0.534 199 D N -0.156 119.979 120.400 -0.440 0.000 2.716 199 D HA 0.187 4.827 4.640 -0.000 0.000 0.273 199 D C 0.021 176.004 176.300 -0.527 0.000 1.024 199 D CA 0.469 54.251 54.000 -0.363 0.000 0.944 199 D CB 0.993 41.692 40.800 -0.168 0.000 1.186 199 D HN 0.505 nan 8.370 nan 0.000 0.485 200 C N 0.745 119.675 119.300 -0.617 0.000 2.880 200 C HA 0.794 5.254 4.460 -0.000 0.000 0.320 200 C C -1.643 172.854 174.990 -0.822 0.000 1.176 200 C CA -0.318 58.307 59.018 -0.655 0.000 1.390 200 C CB 1.010 28.453 27.740 -0.496 0.000 1.846 200 C HN 0.249 nan 8.230 nan 0.000 0.478 201 A N 4.205 126.513 122.820 -0.854 0.000 2.414 201 A HA 0.741 5.061 4.320 -0.000 0.000 0.286 201 A C -1.152 176.097 177.584 -0.558 0.000 1.073 201 A CA -0.297 51.325 52.037 -0.691 0.000 0.727 201 A CB 0.426 19.175 19.000 -0.418 0.000 1.215 201 A HN 0.812 nan 8.150 nan 0.000 0.430 202 F N 2.679 122.382 119.950 -0.412 0.000 2.375 202 F HA 0.388 4.914 4.527 -0.000 0.000 0.362 202 F C 0.778 176.477 175.800 -0.168 0.000 1.129 202 F CA -0.030 57.791 58.000 -0.299 0.000 1.154 202 F CB 1.080 39.779 39.000 -0.501 0.000 1.205 202 F HN 0.478 nan 8.300 nan 0.000 0.513 203 M N 3.067 122.723 119.600 0.094 0.000 2.242 203 M HA 0.391 4.871 4.480 -0.000 0.000 0.344 203 M C -0.785 175.515 176.300 -0.000 0.000 1.140 203 M CA -0.281 55.000 55.300 -0.032 0.000 1.160 203 M CB 1.157 33.702 32.600 -0.091 0.000 1.491 203 M HN 0.230 nan 8.290 nan 0.000 0.459 204 V N 2.427 122.335 119.914 -0.010 0.000 2.419 204 V HA 0.153 4.273 4.120 -0.000 0.000 0.287 204 V C -0.831 175.306 176.094 0.072 0.000 1.017 204 V CA -0.871 61.453 62.300 0.039 0.000 0.844 204 V CB 1.549 33.418 31.823 0.078 0.000 1.011 204 V HN 0.688 nan 8.190 nan 0.000 0.429 205 D N 3.832 124.262 120.400 0.050 0.000 2.359 205 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 205 D C 1.287 177.671 176.300 0.140 0.000 1.264 205 D CA 0.547 54.628 54.000 0.135 0.000 0.911 205 D CB 0.322 41.129 40.800 0.011 0.000 1.056 205 D HN 0.558 nan 8.370 nan 0.000 0.499 206 N N 2.791 121.590 118.700 0.164 0.000 2.089 206 N HA -0.280 4.460 4.740 -0.000 0.000 0.198 206 N C 1.402 176.993 175.510 0.135 0.000 1.017 206 N CA 1.194 54.328 53.050 0.139 0.000 0.880 206 N CB 0.110 38.672 38.487 0.125 0.000 1.042 206 N HN 0.621 nan 8.380 nan 0.000 0.446 207 E N 0.611 120.882 120.200 0.117 0.000 2.058 207 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 207 E C 1.900 178.593 176.600 0.154 0.000 0.997 207 E CA 1.256 57.718 56.400 0.103 0.000 0.801 207 E CB -0.091 29.653 29.700 0.075 0.000 0.746 207 E HN 0.411 nan 8.360 nan 0.000 0.450 208 A N 0.889 123.773 122.820 0.106 0.000 1.972 208 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 208 A C 2.046 179.682 177.584 0.088 0.000 1.169 208 A CA 1.149 53.233 52.037 0.077 0.000 0.635 208 A CB -0.342 18.676 19.000 0.031 0.000 0.810 208 A HN 0.314 nan 8.150 nan 0.000 0.446 209 I N -1.890 118.744 120.570 0.106 0.000 2.333 209 I HA -0.135 4.035 4.170 -0.000 0.000 0.246 209 I C 2.322 178.503 176.117 0.106 0.000 1.106 209 I CA 1.087 62.441 61.300 0.089 0.000 1.411 209 I CB -1.651 36.402 38.000 0.088 0.000 1.082 209 I HN 0.571 nan 8.210 nan 0.000 0.420 210 Y N 2.234 122.541 120.300 0.011 0.000 2.256 210 Y HA -0.293 4.257 4.550 -0.000 0.000 0.288 210 Y C 2.116 178.015 175.900 -0.003 0.000 1.155 210 Y CA 1.910 60.007 58.100 -0.005 0.000 1.203 210 Y CB -0.202 38.251 38.460 -0.012 0.000 0.980 210 Y HN 0.173 nan 8.280 nan 0.000 0.530 211 D N 0.103 120.580 120.400 0.129 0.000 2.103 211 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 211 D C 2.267 178.545 176.300 -0.037 0.000 0.978 211 D CA 1.639 55.664 54.000 0.041 0.000 0.829 211 D CB -0.233 40.622 40.800 0.092 0.000 0.981 211 D HN 0.410 nan 8.370 nan 0.000 0.464 212 I N 0.390 120.955 120.570 -0.008 0.000 2.208 212 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 212 I C 2.087 178.176 176.117 -0.045 0.000 1.097 212 I CA 0.854 62.148 61.300 -0.012 0.000 1.363 212 I CB -0.289 37.720 38.000 0.015 0.000 1.051 212 I HN 0.196 nan 8.210 nan 0.000 0.413 213 C N 0.195 119.446 119.300 -0.082 0.000 2.440 213 C HA -0.094 4.366 4.460 -0.000 0.000 0.278 213 C C 2.812 177.714 174.990 -0.146 0.000 1.295 213 C CA 0.421 59.374 59.018 -0.108 0.000 1.738 213 C CB -1.277 26.383 27.740 -0.133 0.000 1.987 213 C HN 0.423 nan 8.230 nan 0.000 0.492 214 R N 0.219 120.587 120.500 -0.220 0.000 2.115 214 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 214 R C 2.406 178.641 176.300 -0.108 0.000 1.100 214 R CA 0.811 56.783 56.100 -0.213 0.000 0.980 214 R CB -0.209 29.896 30.300 -0.325 0.000 0.875 214 R HN 0.561 nan 8.270 nan 0.000 0.445 215 R N 0.181 120.635 120.500 -0.076 0.000 2.074 215 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 215 R C 1.615 177.899 176.300 -0.027 0.000 1.137 215 R CA 0.750 56.827 56.100 -0.039 0.000 0.998 215 R CB 0.182 30.468 30.300 -0.022 0.000 0.895 215 R HN 0.181 nan 8.270 nan 0.000 0.442 216 N N -0.048 118.637 118.700 -0.025 0.000 2.415 216 N HA -0.049 4.691 4.740 -0.000 0.000 0.176 216 N C 0.983 176.489 175.510 -0.008 0.000 1.042 216 N CA 0.715 53.760 53.050 -0.007 0.000 0.902 216 N CB 0.488 38.978 38.487 0.005 0.000 0.986 216 N HN 0.127 nan 8.380 nan 0.000 0.447 217 L N 0.345 121.554 121.223 -0.025 0.000 2.701 217 L HA 0.174 4.514 4.340 -0.000 0.000 0.238 217 L C 0.252 177.105 176.870 -0.029 0.000 1.106 217 L CA 0.422 55.248 54.840 -0.024 0.000 0.898 217 L CB 0.200 42.240 42.059 -0.031 0.000 1.188 217 L HN -0.094 nan 8.230 nan 0.000 0.508 218 D N -0.396 119.981 120.400 -0.037 0.000 3.077 218 D HA -0.184 4.456 4.640 -0.000 0.000 0.212 218 D C 0.099 176.371 176.300 -0.046 0.000 1.125 218 D CA 0.435 54.414 54.000 -0.035 0.000 0.970 218 D CB -0.505 40.285 40.800 -0.017 0.000 1.110 218 D HN -0.010 nan 8.370 nan 0.000 0.419 219 I N 1.499 122.030 120.570 -0.065 0.000 2.517 219 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 219 I C 1.934 177.995 176.117 -0.092 0.000 1.106 219 I CA 0.258 61.515 61.300 -0.072 0.000 1.402 219 I CB 0.780 38.730 38.000 -0.083 0.000 1.399 219 I HN 0.051 nan 8.210 nan 0.000 0.535 220 E N 5.721 125.882 120.200 -0.064 0.000 1.998 220 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 220 E C 0.851 177.408 176.600 -0.072 0.000 1.003 220 E CA 1.555 57.921 56.400 -0.057 0.000 0.829 220 E CB 0.211 29.893 29.700 -0.029 0.000 0.777 220 E HN 0.660 nan 8.360 nan 0.000 0.460 221 R N 2.231 122.704 120.500 -0.046 0.000 2.412 221 R HA 0.308 4.648 4.340 -0.000 0.000 0.304 221 R C -2.581 173.704 176.300 -0.025 0.000 1.066 221 R CA -1.555 54.535 56.100 -0.016 0.000 0.923 221 R CB 0.034 30.355 30.300 0.035 0.000 1.156 221 R HN 0.104 nan 8.270 nan 0.000 0.513 222 P HA 0.251 nan 4.420 nan 0.000 0.275 222 P C -0.374 176.906 177.300 -0.033 0.000 1.227 222 P CA 0.075 63.139 63.100 -0.059 0.000 0.781 222 P CB 1.256 32.889 31.700 -0.111 0.000 0.906 223 T N 1.710 116.245 114.554 -0.032 0.000 2.754 223 T HA 0.082 4.432 4.350 -0.000 0.000 0.286 223 T C 1.155 175.844 174.700 -0.019 0.000 0.997 223 T CA 0.046 62.126 62.100 -0.032 0.000 0.982 223 T CB 0.250 69.127 68.868 0.015 0.000 1.027 223 T HN 0.319 nan 8.240 nan 0.000 0.529 224 Y N 0.931 121.247 120.300 0.025 0.000 2.163 224 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 224 Y C 3.185 179.090 175.900 0.008 0.000 1.136 224 Y CA 1.394 59.505 58.100 0.020 0.000 1.147 224 Y CB -0.345 38.120 38.460 0.008 0.000 0.987 224 Y HN 0.767 nan 8.280 nan 0.000 0.509 225 T N -2.796 111.866 114.554 0.181 0.000 3.072 225 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 225 T C 1.263 175.997 174.700 0.057 0.000 1.127 225 T CA 1.231 63.385 62.100 0.090 0.000 1.107 225 T CB -0.510 68.392 68.868 0.058 0.000 0.910 225 T HN 0.340 nan 8.240 nan 0.000 0.513 226 N N 0.448 119.180 118.700 0.053 0.000 2.106 226 N HA 0.060 4.800 4.740 -0.000 0.000 0.188 226 N C 1.371 176.898 175.510 0.030 0.000 1.029 226 N CA 0.701 53.765 53.050 0.024 0.000 0.848 226 N CB -0.192 38.297 38.487 0.003 0.000 1.007 226 N HN 0.127 nan 8.380 nan 0.000 0.423 227 L N 1.101 122.362 121.223 0.064 0.000 2.217 227 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 227 L C 1.657 178.563 176.870 0.061 0.000 1.107 227 L CA 1.213 56.098 54.840 0.075 0.000 0.783 227 L CB -0.538 41.604 42.059 0.138 0.000 0.919 227 L HN 0.254 nan 8.230 nan 0.000 0.442 228 N N -0.550 118.189 118.700 0.065 0.000 2.250 228 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 228 N C 1.910 177.413 175.510 -0.012 0.000 1.017 228 N CA 0.663 53.731 53.050 0.032 0.000 0.866 228 N CB -0.091 38.414 38.487 0.030 0.000 0.985 228 N HN 0.285 nan 8.380 nan 0.000 0.429 229 R N 0.474 120.968 120.500 -0.011 0.000 2.127 229 R HA -0.057 4.283 4.340 -0.000 0.000 0.238 229 R C 1.897 178.156 176.300 -0.068 0.000 1.134 229 R CA 0.657 56.736 56.100 -0.035 0.000 0.975 229 R CB -0.169 30.118 30.300 -0.021 0.000 0.865 229 R HN 0.156 nan 8.270 nan 0.000 0.447 230 L N 0.827 122.015 121.223 -0.057 0.000 2.044 230 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 230 L C 2.028 178.821 176.870 -0.128 0.000 1.075 230 L CA 1.658 56.443 54.840 -0.091 0.000 0.747 230 L CB -0.573 41.461 42.059 -0.042 0.000 0.903 230 L HN 0.167 nan 8.230 nan 0.000 0.435 231 I N -0.566 119.961 120.570 -0.071 0.000 2.252 231 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 231 I C 2.596 178.646 176.117 -0.112 0.000 1.102 231 I CA 1.057 62.319 61.300 -0.063 0.000 1.385 231 I CB -0.918 37.083 38.000 0.000 0.000 1.064 231 I HN 0.286 nan 8.210 nan 0.000 0.414 232 G N 0.275 109.002 108.800 -0.121 0.000 2.513 232 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.219 232 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.219 232 G C 1.581 176.363 174.900 -0.197 0.000 1.160 232 G CA 1.191 46.188 45.100 -0.172 0.000 0.767 232 G HN 0.312 nan 8.290 nan 0.000 0.571 233 Q N -0.149 119.515 119.800 -0.226 0.000 2.124 233 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 233 Q C 2.456 178.210 176.000 -0.411 0.000 0.977 233 Q CA 1.153 56.761 55.803 -0.325 0.000 0.850 233 Q CB -0.241 28.225 28.738 -0.454 0.000 0.901 233 Q HN 0.613 nan 8.270 nan 0.000 0.429 234 I N -1.411 118.933 120.570 -0.376 0.000 2.235 234 I HA -0.222 3.948 4.170 -0.000 0.000 0.241 234 I C 1.936 177.988 176.117 -0.108 0.000 1.085 234 I CA 0.525 61.656 61.300 -0.282 0.000 1.378 234 I CB -0.128 37.767 38.000 -0.175 0.000 1.076 234 I HN 0.029 nan 8.210 nan 0.000 0.415 235 V N 0.131 119.991 119.914 -0.088 0.000 2.252 235 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 235 V C 2.563 178.676 176.094 0.031 0.000 1.056 235 V CA 2.367 64.638 62.300 -0.048 0.000 1.022 235 V CB -0.815 30.896 31.823 -0.186 0.000 0.641 235 V HN 0.588 nan 8.190 nan 0.000 0.445 236 S N -1.321 114.385 115.700 0.009 0.000 2.500 236 S HA -0.164 4.306 4.470 -0.000 0.000 0.239 236 S C 2.000 176.672 174.600 0.120 0.000 0.989 236 S CA 1.715 59.996 58.200 0.136 0.000 0.951 236 S CB -0.279 62.975 63.200 0.090 0.000 0.759 236 S HN 0.506 nan 8.310 nan 0.000 0.523 237 S N -0.180 115.569 115.700 0.081 0.000 2.486 237 S HA 0.335 4.805 4.470 -0.000 0.000 0.220 237 S C 1.493 176.178 174.600 0.142 0.000 1.011 237 S CA 0.104 58.386 58.200 0.135 0.000 0.921 237 S CB -0.224 63.099 63.200 0.206 0.000 0.785 237 S HN 0.610 nan 8.310 nan 0.000 0.517 238 I N 1.410 122.056 120.570 0.127 0.000 2.277 238 I HA -0.098 4.072 4.170 -0.000 0.000 0.243 238 I C 2.532 178.850 176.117 0.335 0.000 1.094 238 I CA 1.567 62.981 61.300 0.190 0.000 1.393 238 I CB -0.524 37.487 38.000 0.017 0.000 1.078 238 I HN 0.392 nan 8.210 nan 0.000 0.417 239 T N -0.729 113.983 114.554 0.263 0.000 3.023 239 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 239 T C 1.996 176.787 174.700 0.152 0.000 1.093 239 T CA 0.646 62.895 62.100 0.248 0.000 1.129 239 T CB -0.310 68.609 68.868 0.085 0.000 0.899 239 T HN 0.293 nan 8.240 nan 0.000 0.491 240 A N 2.768 125.679 122.820 0.151 0.000 1.923 240 A HA -0.257 4.063 4.320 -0.000 0.000 0.222 240 A C 2.653 180.377 177.584 0.233 0.000 1.258 240 A CA 2.902 55.061 52.037 0.203 0.000 0.670 240 A CB -1.585 17.550 19.000 0.226 0.000 0.834 240 A HN 0.685 nan 8.150 nan 0.000 0.470 241 S N 0.210 116.029 115.700 0.199 0.000 2.380 241 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 241 S C 1.409 176.108 174.600 0.166 0.000 1.043 241 S CA 1.875 60.168 58.200 0.156 0.000 1.038 241 S CB -0.672 62.576 63.200 0.080 0.000 0.872 241 S HN 0.667 nan 8.310 nan 0.000 0.456 242 L N -0.715 120.625 121.223 0.194 0.000 2.667 242 L HA 0.425 4.765 4.340 -0.000 0.000 0.232 242 L C 1.911 178.885 176.870 0.173 0.000 1.138 242 L CA 0.118 55.077 54.840 0.199 0.000 0.921 242 L CB -0.219 42.005 42.059 0.274 0.000 1.180 242 L HN 0.011 nan 8.230 nan 0.000 0.487 243 R N -0.662 119.881 120.500 0.072 0.000 2.164 243 R HA 0.281 4.621 4.340 -0.000 0.000 0.198 243 R C 1.460 177.690 176.300 -0.115 0.000 1.028 243 R CA 0.628 56.673 56.100 -0.092 0.000 1.083 243 R CB -0.113 29.971 30.300 -0.360 0.000 1.026 243 R HN 0.277 nan 8.270 nan 0.000 0.514 244 F N 1.292 121.350 119.950 0.180 0.000 2.619 244 F HA 0.078 4.605 4.527 -0.000 0.000 0.293 244 F C -0.129 175.727 175.800 0.093 0.000 1.119 244 F CA 0.052 58.141 58.000 0.147 0.000 1.445 244 F CB 0.065 39.133 39.000 0.114 0.000 1.119 244 F HN 0.040 nan 8.300 nan 0.000 0.573 245 D N 0.572 121.115 120.400 0.237 0.000 4.621 245 D HA 0.001 4.641 4.640 -0.000 0.000 0.241 245 D C -0.438 175.946 176.300 0.141 0.000 1.065 245 D CA 0.962 55.054 54.000 0.154 0.000 1.247 245 D CB -0.793 40.072 40.800 0.108 0.000 0.793 245 D HN 0.457 nan 8.370 nan 0.000 0.391 246 G N 2.137 111.003 108.800 0.111 0.000 2.662 246 G HA2 0.824 4.784 3.960 -0.000 0.000 0.302 246 G HA3 0.824 4.784 3.960 -0.000 0.000 0.302 246 G C 0.165 175.086 174.900 0.036 0.000 1.389 246 G CA -0.126 45.011 45.100 0.062 0.000 0.998 246 G HN 1.011 nan 8.290 nan 0.000 0.502 247 A N 2.498 125.331 122.820 0.023 0.000 2.644 247 A HA 0.447 4.767 4.320 -0.000 0.000 0.230 247 A C 0.968 178.550 177.584 -0.003 0.000 1.080 247 A CA 0.716 52.760 52.037 0.012 0.000 0.773 247 A CB -0.027 18.980 19.000 0.011 0.000 1.007 247 A HN 2.444 nan 8.150 nan 0.000 0.512 248 L N 0.961 122.176 121.223 -0.014 0.000 2.619 248 L HA -0.232 4.108 4.340 -0.000 0.000 0.533 248 L C 0.113 176.929 176.870 -0.090 0.000 1.002 248 L CA 1.694 56.508 54.840 -0.044 0.000 1.266 248 L CB -2.302 39.742 42.059 -0.024 0.000 1.549 248 L HN 1.448 nan 8.230 nan 0.000 0.778 249 N N 1.091 119.691 118.700 -0.167 0.000 2.754 249 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 249 N C 0.994 176.454 175.510 -0.082 0.000 1.093 249 N CA 0.406 53.287 53.050 -0.282 0.000 0.699 249 N CB -1.248 36.850 38.487 -0.648 0.000 1.016 249 N HN 0.426 nan 8.380 nan 0.000 0.552 250 V N -0.327 119.574 119.914 -0.021 0.000 2.568 250 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 250 V C 0.867 176.999 176.094 0.063 0.000 1.072 250 V CA 2.341 64.661 62.300 0.034 0.000 1.084 250 V CB -0.621 31.217 31.823 0.026 0.000 0.676 250 V HN 0.714 nan 8.190 nan 0.000 0.469 251 D N -4.247 116.188 120.400 0.058 0.000 2.717 251 D HA 0.248 4.888 4.640 -0.000 0.000 0.223 251 D C 0.384 176.762 176.300 0.130 0.000 1.240 251 D CA -0.728 53.322 54.000 0.083 0.000 0.801 251 D CB 0.697 41.523 40.800 0.043 0.000 1.556 251 D HN -0.169 nan 8.370 nan 0.000 0.462 252 L N 0.310 121.629 121.223 0.161 0.000 2.079 252 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 252 L C 1.889 178.877 176.870 0.196 0.000 1.081 252 L CA 1.896 56.887 54.840 0.252 0.000 0.752 252 L CB -0.864 41.269 42.059 0.123 0.000 0.896 252 L HN 0.666 nan 8.230 nan 0.000 0.433 253 T N -0.678 113.933 114.554 0.096 0.000 2.624 253 T HA -0.352 3.998 4.350 -0.000 0.000 0.266 253 T C 1.692 176.436 174.700 0.074 0.000 1.050 253 T CA 2.151 64.289 62.100 0.064 0.000 1.163 253 T CB -0.323 68.565 68.868 0.032 0.000 0.861 253 T HN 0.417 nan 8.240 nan 0.000 0.443 254 E N -0.258 119.972 120.200 0.049 0.000 2.204 254 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 254 E C 1.794 178.385 176.600 -0.016 0.000 0.990 254 E CA 0.643 57.038 56.400 -0.008 0.000 0.821 254 E CB -0.259 29.400 29.700 -0.067 0.000 0.750 254 E HN 0.466 nan 8.360 nan 0.000 0.477 255 F N 1.649 121.622 119.950 0.039 0.000 2.043 255 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 255 F C 2.713 178.521 175.800 0.013 0.000 1.121 255 F CA 2.334 60.361 58.000 0.046 0.000 1.199 255 F CB -0.851 38.172 39.000 0.038 0.000 0.968 255 F HN 0.194 nan 8.300 nan 0.000 0.478 256 Q N -0.773 119.143 119.800 0.194 0.000 2.084 256 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 256 Q C 2.013 178.052 176.000 0.064 0.000 0.978 256 Q CA 2.261 58.116 55.803 0.088 0.000 0.844 256 Q CB -0.725 28.037 28.738 0.041 0.000 0.898 256 Q HN 0.318 nan 8.270 nan 0.000 0.426 257 T N 0.758 115.341 114.554 0.048 0.000 2.759 257 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 257 T C 1.216 175.933 174.700 0.028 0.000 1.042 257 T CA 1.723 63.836 62.100 0.022 0.000 1.140 257 T CB -0.249 68.625 68.868 0.010 0.000 0.864 257 T HN 0.508 nan 8.240 nan 0.000 0.455 258 N N -0.181 118.542 118.700 0.038 0.000 2.368 258 N HA 0.205 4.945 4.740 -0.000 0.000 0.176 258 N C 1.626 177.192 175.510 0.094 0.000 1.021 258 N CA 0.473 53.554 53.050 0.052 0.000 0.888 258 N CB 0.183 38.688 38.487 0.030 0.000 0.995 258 N HN 0.250 nan 8.380 nan 0.000 0.437 259 L N 0.591 121.882 121.223 0.113 0.000 2.316 259 L HA 0.188 4.528 4.340 -0.000 0.000 0.207 259 L C 0.402 177.347 176.870 0.125 0.000 1.070 259 L CA 0.188 55.114 54.840 0.142 0.000 0.820 259 L CB 0.312 42.477 42.059 0.177 0.000 0.992 259 L HN 0.030 nan 8.230 nan 0.000 0.466 260 V N -2.774 117.195 119.914 0.090 0.000 2.334 260 V HA 0.363 4.483 4.120 -0.000 0.000 0.281 260 V C -2.087 174.034 176.094 0.045 0.000 1.016 260 V CA -1.385 60.966 62.300 0.084 0.000 0.832 260 V CB 1.032 32.900 31.823 0.074 0.000 0.999 260 V HN -0.039 nan 8.190 nan 0.000 0.439 261 P HA 0.186 nan 4.420 nan 0.000 0.226 261 P C -0.454 176.646 177.300 -0.332 0.000 1.161 261 P CA 0.833 63.870 63.100 -0.105 0.000 0.804 261 P CB 0.088 31.823 31.700 0.059 0.000 0.829 262 Y N -1.616 118.683 120.300 -0.002 0.000 2.425 262 Y HA 0.285 4.835 4.550 -0.000 0.000 0.344 262 Y C -1.485 174.384 175.900 -0.053 0.000 0.969 262 Y CA -2.466 55.605 58.100 -0.049 0.000 1.052 262 Y CB 1.640 40.055 38.460 -0.075 0.000 1.215 262 Y HN -0.207 nan 8.280 nan 0.000 0.451 263 P HA -0.229 nan 4.420 nan 0.000 0.217 263 P C 1.079 178.374 177.300 -0.008 0.000 1.158 263 P CA 1.935 65.071 63.100 0.060 0.000 0.887 263 P CB 0.344 32.073 31.700 0.048 0.000 0.792 264 R N -0.734 119.719 120.500 -0.078 0.000 2.052 264 R HA 0.033 4.373 4.340 -0.000 0.000 0.224 264 R C 0.968 177.050 176.300 -0.364 0.000 1.165 264 R CA 0.414 56.368 56.100 -0.242 0.000 0.939 264 R CB -1.199 29.005 30.300 -0.160 0.000 0.834 264 R HN 0.097 nan 8.270 nan 0.000 0.435 265 I N 2.521 122.986 120.570 -0.175 0.000 3.446 265 I HA -0.185 3.985 4.170 -0.000 0.000 0.294 265 I C 0.908 177.034 176.117 0.016 0.000 1.185 265 I CA 1.016 62.283 61.300 -0.054 0.000 1.617 265 I CB -0.431 37.475 38.000 -0.158 0.000 1.576 265 I HN 0.262 nan 8.210 nan 0.000 0.741 266 H N 3.613 122.641 119.070 -0.071 0.000 2.520 266 H HA 0.179 4.735 4.556 -0.000 0.000 0.279 266 H C 0.106 175.214 175.328 -0.367 0.000 0.990 266 H CA -0.120 55.650 56.048 -0.463 0.000 1.288 266 H CB 0.168 29.279 29.762 -1.086 0.000 1.446 266 H HN 0.331 nan 8.280 nan 0.000 0.538 267 F N 3.182 123.322 119.950 0.317 0.000 2.439 267 F HA 0.240 4.767 4.527 -0.000 0.000 0.356 267 F C -2.249 173.647 175.800 0.159 0.000 1.161 267 F CA -3.162 54.973 58.000 0.226 0.000 1.151 267 F CB 0.146 39.353 39.000 0.346 0.000 1.222 267 F HN -0.022 nan 8.300 nan 0.000 0.558 268 P HA 0.218 nan 4.420 nan 0.000 0.282 268 P C -0.836 176.596 177.300 0.220 0.000 1.259 268 P CA -0.628 62.599 63.100 0.211 0.000 0.826 268 P CB 1.589 33.434 31.700 0.242 0.000 1.064 269 L N 1.463 122.779 121.223 0.156 0.000 2.282 269 L HA 0.674 5.014 4.340 -0.000 0.000 0.288 269 L C -0.321 176.609 176.870 0.099 0.000 1.033 269 L CA -0.596 54.293 54.840 0.082 0.000 0.807 269 L CB 1.023 43.083 42.059 0.003 0.000 1.209 269 L HN 0.443 nan 8.230 nan 0.000 0.423 270 A N 3.377 126.240 122.820 0.071 0.000 2.294 270 A HA 0.862 5.182 4.320 -0.000 0.000 0.330 270 A C -0.569 177.021 177.584 0.010 0.000 1.133 270 A CA -0.361 51.697 52.037 0.035 0.000 0.836 270 A CB 1.238 20.233 19.000 -0.009 0.000 1.190 270 A HN 0.734 nan 8.150 nan 0.000 0.492 271 T N 0.528 115.083 114.554 0.002 0.000 3.293 271 T HA 0.393 4.743 4.350 -0.000 0.000 0.320 271 T C -1.325 173.392 174.700 0.029 0.000 0.995 271 T CA -0.188 61.907 62.100 -0.009 0.000 1.041 271 T CB 0.426 69.240 68.868 -0.090 0.000 1.058 271 T HN 0.528 nan 8.240 nan 0.000 0.453 272 Y N 2.485 122.745 120.300 -0.066 0.000 2.352 272 Y HA 0.690 5.240 4.550 -0.000 0.000 0.326 272 Y C 0.893 176.756 175.900 -0.061 0.000 1.166 272 Y CA -0.534 57.528 58.100 -0.063 0.000 1.182 272 Y CB 1.147 39.581 38.460 -0.043 0.000 1.216 272 Y HN 0.808 nan 8.280 nan 0.000 0.474 273 A N 5.008 127.377 122.820 -0.751 0.000 1.909 273 A HA 0.217 4.537 4.320 -0.000 0.000 0.215 273 A C -1.913 175.483 177.584 -0.313 0.000 1.392 273 A CA 0.316 52.068 52.037 -0.474 0.000 0.599 273 A CB -1.527 17.180 19.000 -0.488 0.000 1.029 273 A HN 0.635 nan 8.150 nan 0.000 0.480 274 P HA 0.361 nan 4.420 nan 0.000 0.253 274 P C -0.932 176.362 177.300 -0.010 0.000 1.667 274 P CA -0.348 62.675 63.100 -0.128 0.000 1.118 274 P CB 0.709 32.346 31.700 -0.105 0.000 1.595 275 V N 2.473 122.421 119.914 0.057 0.000 2.339 275 V HA 0.564 4.684 4.120 -0.000 0.000 0.261 275 V C -0.033 176.094 176.094 0.054 0.000 1.058 275 V CA -0.535 61.833 62.300 0.113 0.000 0.897 275 V CB 0.269 32.165 31.823 0.122 0.000 1.052 275 V HN 0.247 nan 8.190 nan 0.000 0.480 276 I N 4.775 125.371 120.570 0.044 0.000 2.656 276 I HA 0.638 4.808 4.170 -0.000 0.000 0.292 276 I C 0.258 176.379 176.117 0.007 0.000 1.144 276 I CA -0.091 61.224 61.300 0.026 0.000 1.038 276 I CB 2.697 40.715 38.000 0.030 0.000 1.244 276 I HN 0.804 nan 8.210 nan 0.000 0.420 277 S N 6.266 121.966 115.700 0.000 0.000 2.489 277 S HA 0.805 5.275 4.470 -0.000 0.000 0.277 277 S C 0.247 174.818 174.600 -0.048 0.000 1.230 277 S CA -0.564 57.625 58.200 -0.018 0.000 1.053 277 S CB 1.125 64.318 63.200 -0.010 0.000 0.955 277 S HN 0.958 nan 8.310 nan 0.000 0.488 278 A N 2.368 125.149 122.820 -0.066 0.000 2.565 278 A HA 0.380 4.700 4.320 -0.000 0.000 0.237 278 A C 1.235 178.773 177.584 -0.077 0.000 1.053 278 A CA 0.579 52.554 52.037 -0.103 0.000 0.755 278 A CB -0.476 18.466 19.000 -0.096 0.000 0.980 278 A HN 1.511 nan 8.150 nan 0.000 0.506 279 E N 0.240 120.384 120.200 -0.093 0.000 4.082 279 E HA -0.183 4.167 4.350 -0.000 0.000 0.249 279 E C 0.192 176.722 176.600 -0.117 0.000 0.641 279 E CA 1.231 57.595 56.400 -0.059 0.000 2.398 279 E CB -1.466 28.219 29.700 -0.025 0.000 1.659 279 E HN 0.701 nan 8.360 nan 0.000 0.625 280 K N 0.315 120.613 120.400 -0.169 0.000 2.387 280 K HA 0.444 4.764 4.320 -0.000 0.000 0.203 280 K C 1.438 177.806 176.600 -0.387 0.000 1.030 280 K CA 0.483 56.551 56.287 -0.365 0.000 1.099 280 K CB 0.952 33.435 32.500 -0.027 0.000 0.863 280 K HN 0.291 nan 8.250 nan 0.000 0.529 281 A N 0.308 122.952 122.820 -0.294 0.000 2.225 281 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 281 A C 0.748 178.070 177.584 -0.437 0.000 1.164 281 A CA 1.213 53.040 52.037 -0.349 0.000 0.710 281 A CB -0.280 18.463 19.000 -0.427 0.000 0.780 281 A HN 0.302 nan 8.150 nan 0.000 0.473 282 Y N -1.052 119.126 120.300 -0.204 0.000 2.641 282 Y HA 0.217 4.767 4.550 -0.000 0.000 0.248 282 Y C 0.430 176.296 175.900 -0.057 0.000 1.170 282 Y CA -1.284 56.748 58.100 -0.112 0.000 1.201 282 Y CB -0.306 38.102 38.460 -0.087 0.000 1.232 282 Y HN 0.431 nan 8.280 nan 0.000 0.537 283 H N 0.364 119.508 119.070 0.124 0.000 2.707 283 H HA 0.047 4.603 4.556 -0.000 0.000 0.359 283 H C 0.314 175.681 175.328 0.065 0.000 1.113 283 H CA -0.297 55.797 56.048 0.078 0.000 1.422 283 H CB 0.674 30.464 29.762 0.046 0.000 1.443 283 H HN 0.105 nan 8.280 nan 0.000 0.591 284 E N 2.164 122.472 120.200 0.180 0.000 2.406 284 E HA -0.064 4.286 4.350 -0.000 0.000 0.247 284 E C 0.058 176.709 176.600 0.084 0.000 1.160 284 E CA -0.256 56.206 56.400 0.105 0.000 0.950 284 E CB 0.126 29.867 29.700 0.069 0.000 0.993 284 E HN 0.612 nan 8.360 nan 0.000 0.472 285 Q N 3.186 123.030 119.800 0.072 0.000 2.524 285 Q HA 0.142 4.482 4.340 -0.000 0.000 0.246 285 Q C 0.027 176.049 176.000 0.038 0.000 1.063 285 Q CA 0.113 55.948 55.803 0.053 0.000 0.945 285 Q CB 0.110 28.870 28.738 0.036 0.000 1.292 285 Q HN 0.525 nan 8.270 nan 0.000 0.518 286 L N 1.361 122.601 121.223 0.027 0.000 2.426 286 L HA 0.325 4.665 4.340 -0.000 0.000 0.271 286 L C 0.870 177.751 176.870 0.017 0.000 1.169 286 L CA -0.091 54.761 54.840 0.019 0.000 0.836 286 L CB 1.326 43.390 42.059 0.008 0.000 1.112 286 L HN 0.778 nan 8.230 nan 0.000 0.465 287 S N 0.743 116.453 115.700 0.017 0.000 2.548 287 S HA 0.218 4.688 4.470 -0.000 0.000 0.277 287 S C 1.409 176.025 174.600 0.026 0.000 1.315 287 S CA -1.003 57.208 58.200 0.017 0.000 1.050 287 S CB 1.256 64.463 63.200 0.012 0.000 0.918 287 S HN 0.375 nan 8.310 nan 0.000 0.497 288 V N 2.218 122.150 119.914 0.030 0.000 2.363 288 V HA -0.329 3.791 4.120 -0.000 0.000 0.254 288 V C 2.748 178.882 176.094 0.066 0.000 1.074 288 V CA 2.432 64.763 62.300 0.053 0.000 1.069 288 V CB -1.988 29.845 31.823 0.016 0.000 0.659 288 V HN 1.024 nan 8.190 nan 0.000 0.455 289 A N -0.471 122.369 122.820 0.033 0.000 1.841 289 A HA -0.250 4.070 4.320 -0.000 0.000 0.214 289 A C 2.298 179.903 177.584 0.036 0.000 1.195 289 A CA 1.862 53.915 52.037 0.028 0.000 0.611 289 A CB -0.606 18.398 19.000 0.006 0.000 0.835 289 A HN 0.559 nan 8.150 nan 0.000 0.443 290 E N -0.187 120.028 120.200 0.025 0.000 2.160 290 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 290 E C 1.920 178.533 176.600 0.022 0.000 0.991 290 E CA 1.469 57.881 56.400 0.021 0.000 0.810 290 E CB -0.318 29.390 29.700 0.013 0.000 0.742 290 E HN 0.820 nan 8.360 nan 0.000 0.466 291 I N -1.644 118.936 120.570 0.017 0.000 2.286 291 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 291 I C 2.198 178.310 176.117 -0.008 0.000 1.104 291 I CA 1.079 62.370 61.300 -0.015 0.000 1.397 291 I CB -0.800 37.175 38.000 -0.040 0.000 1.072 291 I HN -0.108 nan 8.210 nan 0.000 0.417 292 T N 1.355 115.940 114.554 0.051 0.000 2.684 292 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 292 T C 1.679 176.484 174.700 0.175 0.000 1.036 292 T CA 1.921 64.082 62.100 0.103 0.000 1.148 292 T CB -0.554 68.414 68.868 0.166 0.000 0.863 292 T HN 0.295 nan 8.240 nan 0.000 0.436 293 N N 0.835 119.608 118.700 0.122 0.000 2.626 293 N HA 0.152 4.892 4.740 -0.000 0.000 0.193 293 N C 1.357 176.943 175.510 0.126 0.000 1.213 293 N CA 0.443 53.570 53.050 0.128 0.000 0.914 293 N CB -0.173 38.346 38.487 0.053 0.000 0.994 293 N HN 0.492 nan 8.380 nan 0.000 0.447 294 A N -1.105 121.767 122.820 0.088 0.000 1.993 294 A HA 0.045 4.365 4.320 -0.000 0.000 0.207 294 A C 2.381 179.976 177.584 0.018 0.000 1.224 294 A CA 0.148 52.209 52.037 0.040 0.000 0.749 294 A CB -0.576 18.417 19.000 -0.011 0.000 0.884 294 A HN 0.396 nan 8.150 nan 0.000 0.467 295 C N -0.808 118.467 119.300 -0.042 0.000 2.398 295 C HA -0.130 4.330 4.460 -0.000 0.000 0.282 295 C C 0.808 175.594 174.990 -0.340 0.000 1.275 295 C CA 0.555 59.425 59.018 -0.248 0.000 1.797 295 C CB -1.699 25.763 27.740 -0.464 0.000 1.991 295 C HN 0.506 nan 8.230 nan 0.000 0.505 296 F N 0.895 120.857 119.950 0.019 0.000 2.461 296 F HA 0.418 4.945 4.527 -0.000 0.000 0.321 296 F C 0.207 176.021 175.800 0.023 0.000 1.203 296 F CA -0.058 57.964 58.000 0.036 0.000 1.238 296 F CB -0.104 38.907 39.000 0.019 0.000 1.528 296 F HN 0.078 nan 8.300 nan 0.000 0.554 297 E N 2.394 122.656 120.200 0.104 0.000 2.378 297 E HA 0.321 4.671 4.350 -0.000 0.000 0.282 297 E C -2.261 174.357 176.600 0.030 0.000 0.910 297 E CA -2.052 54.389 56.400 0.067 0.000 0.816 297 E CB 1.546 31.276 29.700 0.050 0.000 1.359 297 E HN -0.083 nan 8.360 nan 0.000 0.397 298 P HA -0.295 nan 4.420 nan 0.000 0.218 298 P C 0.901 178.198 177.300 -0.006 0.000 1.147 298 P CA 1.852 64.950 63.100 -0.004 0.000 0.827 298 P CB 0.220 31.910 31.700 -0.018 0.000 0.778 299 A N 0.458 123.280 122.820 0.004 0.000 1.855 299 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 299 A C 2.088 179.677 177.584 0.007 0.000 1.191 299 A CA 1.600 53.641 52.037 0.005 0.000 0.613 299 A CB -1.325 17.680 19.000 0.008 0.000 0.829 299 A HN 0.130 nan 8.150 nan 0.000 0.442 300 N N 0.237 118.941 118.700 0.007 0.000 2.515 300 N HA 0.014 4.754 4.740 -0.000 0.000 0.191 300 N C 0.639 176.153 175.510 0.007 0.000 1.182 300 N CA 0.221 53.277 53.050 0.009 0.000 0.879 300 N CB -0.185 38.301 38.487 -0.001 0.000 0.984 300 N HN 0.625 nan 8.380 nan 0.000 0.453 301 Q N -0.622 119.176 119.800 -0.003 0.000 2.651 301 Q HA 0.117 4.457 4.340 -0.000 0.000 0.224 301 Q C 1.256 177.255 176.000 -0.002 0.000 1.094 301 Q CA 0.468 56.264 55.803 -0.012 0.000 1.018 301 Q CB 0.613 29.333 28.738 -0.029 0.000 1.292 301 Q HN 0.040 nan 8.270 nan 0.000 0.588 302 M N -0.017 119.576 119.600 -0.013 0.000 2.338 302 M HA 0.231 4.711 4.480 -0.000 0.000 0.276 302 M C -1.052 175.227 176.300 -0.034 0.000 1.057 302 M CA 0.429 55.727 55.300 -0.005 0.000 1.079 302 M CB 1.246 33.850 32.600 0.007 0.000 1.547 302 M HN 0.284 nan 8.290 nan 0.000 0.549 303 V N 0.878 120.744 119.914 -0.080 0.000 2.623 303 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 303 V C -0.407 175.593 176.094 -0.155 0.000 1.054 303 V CA -1.256 60.945 62.300 -0.164 0.000 0.882 303 V CB 2.329 33.996 31.823 -0.261 0.000 1.002 303 V HN 0.070 nan 8.190 nan 0.000 0.424 304 K N 3.860 124.174 120.400 -0.144 0.000 2.382 304 K HA 0.427 4.747 4.320 -0.000 0.000 0.286 304 K C -0.004 176.517 176.600 -0.130 0.000 1.062 304 K CA 0.386 56.616 56.287 -0.095 0.000 1.000 304 K CB -0.256 32.221 32.500 -0.039 0.000 0.954 304 K HN 1.004 nan 8.250 nan 0.000 0.470 305 C N 0.272 119.501 119.300 -0.117 0.000 3.094 305 C HA 0.638 5.098 4.460 -0.000 0.000 0.351 305 C C -1.442 173.461 174.990 -0.145 0.000 4.319 305 C CA -0.885 58.057 59.018 -0.128 0.000 1.325 305 C CB 0.847 28.495 27.740 -0.153 0.000 4.843 305 C HN 0.673 nan 8.230 nan 0.000 0.432 306 D N 0.578 120.852 120.400 -0.209 0.000 2.312 306 D HA 0.451 5.091 4.640 -0.000 0.000 0.229 306 D C -2.475 173.621 176.300 -0.340 0.000 1.337 306 D CA -0.761 53.055 54.000 -0.308 0.000 0.964 306 D CB 1.363 41.892 40.800 -0.451 0.000 1.456 306 D HN 0.325 nan 8.370 nan 0.000 0.547 307 P HA 0.121 nan 4.420 nan 0.000 0.255 307 P C 1.273 178.586 177.300 0.022 0.000 1.248 307 P CA 0.228 63.262 63.100 -0.110 0.000 0.807 307 P CB 0.149 31.750 31.700 -0.164 0.000 1.150 308 R N 0.456 120.959 120.500 0.004 0.000 2.235 308 R HA -0.128 4.212 4.340 -0.000 0.000 0.213 308 R C 1.910 178.278 176.300 0.113 0.000 1.059 308 R CA 1.864 58.007 56.100 0.072 0.000 0.997 308 R CB -2.006 28.312 30.300 0.030 0.000 0.884 308 R HN 0.515 nan 8.270 nan 0.000 0.462 309 H N -2.681 116.400 119.070 0.018 0.000 2.788 309 H HA 0.335 4.891 4.556 -0.000 0.000 0.262 309 H C 0.934 176.256 175.328 -0.010 0.000 0.968 309 H CA -0.310 55.742 56.048 0.006 0.000 1.218 309 H CB -0.668 29.095 29.762 0.002 0.000 1.443 309 H HN 0.348 nan 8.280 nan 0.000 0.478 310 G N 2.055 111.099 108.800 0.407 0.000 2.476 310 G HA2 0.353 4.313 3.960 -0.000 0.000 0.269 310 G HA3 0.353 4.313 3.960 -0.000 0.000 0.269 310 G C -0.398 174.507 174.900 0.008 0.000 1.195 310 G CA -0.806 44.362 45.100 0.115 0.000 0.843 310 G HN 0.213 nan 8.290 nan 0.000 0.545 311 K N 0.785 121.175 120.400 -0.017 0.000 2.270 311 K HA 0.151 4.471 4.320 -0.000 0.000 0.276 311 K C -0.934 175.596 176.600 -0.115 0.000 1.023 311 K CA -0.184 56.086 56.287 -0.028 0.000 0.955 311 K CB 1.196 33.681 32.500 -0.025 0.000 0.975 311 K HN 0.470 nan 8.250 nan 0.000 0.471 312 Y N 1.604 121.757 120.300 -0.245 0.000 2.304 312 Y HA 0.067 4.617 4.550 -0.000 0.000 0.327 312 Y C 1.492 177.270 175.900 -0.204 0.000 1.209 312 Y CA 0.013 57.898 58.100 -0.357 0.000 1.299 312 Y CB 1.047 38.994 38.460 -0.855 0.000 1.249 312 Y HN 0.584 nan 8.280 nan 0.000 0.519 313 M N 0.638 120.336 119.600 0.163 0.000 2.215 313 M HA 0.710 5.190 4.480 -0.000 0.000 0.391 313 M C -0.904 175.613 176.300 0.361 0.000 0.914 313 M CA -0.038 55.415 55.300 0.255 0.000 1.035 313 M CB 1.139 33.809 32.600 0.117 0.000 1.944 313 M HN 0.460 nan 8.290 nan 0.000 0.656 314 A N 0.707 123.742 122.820 0.357 0.000 2.518 314 A HA 0.612 4.932 4.320 -0.000 0.000 0.295 314 A C -1.642 176.097 177.584 0.259 0.000 1.052 314 A CA -0.579 51.639 52.037 0.301 0.000 0.824 314 A CB 1.072 20.210 19.000 0.230 0.000 1.325 314 A HN 0.418 nan 8.150 nan 0.000 0.394 315 C N 2.293 121.715 119.300 0.203 0.000 2.431 315 C HA 0.772 5.232 4.460 -0.000 0.000 0.321 315 C C -0.075 174.990 174.990 0.126 0.000 1.202 315 C CA -0.321 58.767 59.018 0.116 0.000 1.398 315 C CB -0.207 27.460 27.740 -0.122 0.000 2.047 315 C HN 1.004 nan 8.230 nan 0.000 0.465 316 C N 5.286 124.696 119.300 0.183 0.000 2.493 316 C HA 0.733 5.193 4.460 -0.000 0.000 0.326 316 C C -0.676 174.445 174.990 0.219 0.000 1.200 316 C CA -0.514 58.623 59.018 0.198 0.000 1.739 316 C CB 0.919 28.751 27.740 0.154 0.000 2.300 316 C HN 0.843 nan 8.230 nan 0.000 0.500 317 L N 3.866 125.225 121.223 0.227 0.000 2.372 317 L HA 0.507 4.847 4.340 -0.000 0.000 0.274 317 L C -0.807 176.117 176.870 0.090 0.000 0.988 317 L CA -0.377 54.543 54.840 0.132 0.000 0.833 317 L CB 1.394 43.602 42.059 0.248 0.000 1.236 317 L HN 0.541 nan 8.230 nan 0.000 0.410 318 L N 4.375 125.582 121.223 -0.027 0.000 2.297 318 L HA 0.405 4.745 4.340 -0.000 0.000 0.277 318 L C -0.818 175.995 176.870 -0.094 0.000 1.040 318 L CA -0.301 54.542 54.840 0.006 0.000 0.867 318 L CB 0.401 42.486 42.059 0.044 0.000 1.244 318 L HN 0.389 nan 8.230 nan 0.000 0.433 319 Y N 3.447 123.737 120.300 -0.016 0.000 2.301 319 Y HA 0.504 5.054 4.550 -0.000 0.000 0.328 319 Y C 0.401 176.268 175.900 -0.055 0.000 1.242 319 Y CA -0.300 57.774 58.100 -0.043 0.000 1.323 319 Y CB 0.928 39.353 38.460 -0.058 0.000 1.266 319 Y HN 0.387 nan 8.280 nan 0.000 0.527 320 R N 0.912 121.468 120.500 0.093 0.000 2.522 320 R HA 0.538 4.878 4.340 -0.000 0.000 0.283 320 R C -0.284 176.034 176.300 0.030 0.000 1.074 320 R CA -0.062 56.056 56.100 0.029 0.000 0.925 320 R CB 1.968 32.290 30.300 0.038 0.000 1.205 320 R HN 0.949 nan 8.270 nan 0.000 0.436 321 G N 2.211 111.015 108.800 0.007 0.000 2.358 321 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.198 321 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.198 321 G C -1.494 173.451 174.900 0.076 0.000 1.220 321 G CA -0.443 44.675 45.100 0.031 0.000 1.187 321 G HN 0.552 nan 8.290 nan 0.000 0.544 322 D N 0.509 120.950 120.400 0.068 0.000 2.411 322 D HA 0.530 5.170 4.640 -0.000 0.000 0.225 322 D C -0.201 176.141 176.300 0.069 0.000 1.156 322 D CA 0.071 54.120 54.000 0.081 0.000 0.874 322 D CB 0.851 41.678 40.800 0.046 0.000 1.034 322 D HN 0.719 nan 8.370 nan 0.000 0.502 323 V N 4.099 124.069 119.914 0.094 0.000 2.697 323 V HA 0.239 4.359 4.120 -0.000 0.000 0.300 323 V C -0.282 175.839 176.094 0.045 0.000 1.115 323 V CA -1.025 61.289 62.300 0.024 0.000 0.912 323 V CB 1.938 33.727 31.823 -0.057 0.000 1.024 323 V HN 0.262 nan 8.190 nan 0.000 0.431 324 V N 6.222 126.139 119.914 0.005 0.000 2.465 324 V HA 0.275 4.395 4.120 -0.000 0.000 0.279 324 V C -1.409 174.645 176.094 -0.067 0.000 1.045 324 V CA -1.447 60.855 62.300 0.002 0.000 0.938 324 V CB 1.653 33.475 31.823 -0.002 0.000 0.986 324 V HN 0.707 nan 8.190 nan 0.000 0.467 325 P HA -0.174 nan 4.420 nan 0.000 0.216 325 P C 1.814 179.056 177.300 -0.097 0.000 1.150 325 P CA 0.949 63.979 63.100 -0.116 0.000 0.843 325 P CB 0.140 31.797 31.700 -0.071 0.000 0.787 326 K N 0.089 120.453 120.400 -0.060 0.000 2.117 326 K HA -0.280 4.040 4.320 -0.000 0.000 0.215 326 K C 1.413 177.974 176.600 -0.065 0.000 1.053 326 K CA 2.308 58.564 56.287 -0.051 0.000 0.935 326 K CB -0.826 31.653 32.500 -0.035 0.000 0.719 326 K HN 0.120 nan 8.250 nan 0.000 0.460 327 D N -0.155 120.198 120.400 -0.078 0.000 2.091 327 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 327 D C 2.105 178.342 176.300 -0.104 0.000 0.980 327 D CA 1.103 55.056 54.000 -0.079 0.000 0.831 327 D CB -0.384 40.370 40.800 -0.076 0.000 0.987 327 D HN 0.017 nan 8.370 nan 0.000 0.460 328 V N 1.775 121.584 119.914 -0.175 0.000 2.278 328 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 328 V C 2.038 178.048 176.094 -0.140 0.000 1.062 328 V CA 1.791 63.952 62.300 -0.231 0.000 1.038 328 V CB -0.703 30.876 31.823 -0.406 0.000 0.646 328 V HN 0.245 nan 8.190 nan 0.000 0.447 329 N N 0.440 119.068 118.700 -0.119 0.000 1.997 329 N HA -0.220 4.520 4.740 -0.000 0.000 0.198 329 N C 1.912 177.370 175.510 -0.086 0.000 1.070 329 N CA 1.531 54.524 53.050 -0.094 0.000 0.864 329 N CB -0.378 38.068 38.487 -0.069 0.000 1.066 329 N HN 0.471 nan 8.380 nan 0.000 0.425 330 A N 1.008 123.788 122.820 -0.067 0.000 2.076 330 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 330 A C 2.239 179.786 177.584 -0.061 0.000 1.160 330 A CA 1.720 53.723 52.037 -0.057 0.000 0.653 330 A CB -0.672 18.302 19.000 -0.043 0.000 0.801 330 A HN 0.467 nan 8.150 nan 0.000 0.455 331 A N 0.429 123.211 122.820 -0.063 0.000 1.845 331 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 331 A C 2.048 179.578 177.584 -0.090 0.000 1.195 331 A CA 1.524 53.527 52.037 -0.055 0.000 0.616 331 A CB -0.712 18.271 19.000 -0.029 0.000 0.832 331 A HN 0.485 nan 8.150 nan 0.000 0.443 332 I N 0.176 120.668 120.570 -0.130 0.000 2.185 332 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 332 I C 2.956 178.957 176.117 -0.193 0.000 1.088 332 I CA 1.238 62.395 61.300 -0.237 0.000 1.347 332 I CB -0.474 37.315 38.000 -0.352 0.000 1.041 332 I HN 0.380 nan 8.210 nan 0.000 0.415 333 A N 0.690 123.434 122.820 -0.126 0.000 1.903 333 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 333 A C 2.197 179.732 177.584 -0.081 0.000 1.191 333 A CA 2.720 54.706 52.037 -0.085 0.000 0.638 333 A CB -1.280 17.685 19.000 -0.059 0.000 0.823 333 A HN 0.554 nan 8.150 nan 0.000 0.451 334 T N -3.151 111.353 114.554 -0.083 0.000 3.206 334 T HA 0.453 4.803 4.350 -0.000 0.000 0.253 334 T C 1.397 176.036 174.700 -0.102 0.000 1.042 334 T CA 0.561 62.616 62.100 -0.074 0.000 0.931 334 T CB -0.263 68.574 68.868 -0.053 0.000 1.029 334 T HN 0.654 nan 8.240 nan 0.000 0.564 335 I N 0.512 120.989 120.570 -0.155 0.000 2.584 335 I HA 0.423 4.593 4.170 -0.000 0.000 0.255 335 I C 2.779 178.770 176.117 -0.209 0.000 1.145 335 I CA 1.378 62.535 61.300 -0.240 0.000 1.462 335 I CB -1.706 36.048 38.000 -0.409 0.000 1.102 335 I HN 0.614 nan 8.210 nan 0.000 0.433 336 K N 0.228 120.543 120.400 -0.141 0.000 1.991 336 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 336 K C 2.069 178.634 176.600 -0.058 0.000 1.045 336 K CA 1.870 58.110 56.287 -0.078 0.000 0.937 336 K CB -1.834 30.647 32.500 -0.033 0.000 0.720 336 K HN 0.623 nan 8.250 nan 0.000 0.438 337 T N 0.163 114.687 114.554 -0.051 0.000 3.163 337 T HA 0.140 4.490 4.350 -0.000 0.000 0.260 337 T C 2.067 176.746 174.700 -0.036 0.000 1.156 337 T CA 1.376 63.455 62.100 -0.034 0.000 1.072 337 T CB 0.066 68.917 68.868 -0.028 0.000 0.937 337 T HN 0.687 nan 8.240 nan 0.000 0.528 338 K N 1.168 121.538 120.400 -0.051 0.000 2.313 338 K HA 0.623 4.943 4.320 -0.000 0.000 0.215 338 K C 1.652 178.225 176.600 -0.046 0.000 1.109 338 K CA 0.688 56.948 56.287 -0.044 0.000 0.895 338 K CB -0.762 31.710 32.500 -0.045 0.000 1.234 338 K HN 0.469 nan 8.250 nan 0.000 0.463 339 R N 0.276 120.730 120.500 -0.076 0.000 2.527 339 R HA 0.523 4.863 4.340 -0.000 0.000 0.236 339 R C 0.518 176.779 176.300 -0.065 0.000 1.257 339 R CA 0.570 56.626 56.100 -0.073 0.000 1.088 339 R CB -0.959 29.273 30.300 -0.113 0.000 1.396 339 R HN 0.323 nan 8.270 nan 0.000 0.571 340 T N 2.335 116.861 114.554 -0.048 0.000 2.992 340 T HA 0.224 4.574 4.350 -0.000 0.000 0.299 340 T C 1.834 176.508 174.700 -0.043 0.000 1.027 340 T CA 0.186 62.278 62.100 -0.013 0.000 1.001 340 T CB -0.644 68.246 68.868 0.037 0.000 1.005 340 T HN 0.502 nan 8.240 nan 0.000 0.599 341 I N 2.207 122.756 120.570 -0.036 0.000 2.421 341 I HA -0.315 3.855 4.170 -0.000 0.000 0.218 341 I C 1.398 177.494 176.117 -0.034 0.000 0.949 341 I CA 2.015 63.310 61.300 -0.009 0.000 1.269 341 I CB -1.951 36.079 38.000 0.050 0.000 0.974 341 I HN 0.689 nan 8.210 nan 0.000 0.373 342 Q N 0.100 119.918 119.800 0.030 0.000 2.464 342 Q HA -0.179 4.161 4.340 -0.000 0.000 0.286 342 Q C -0.355 175.641 176.000 -0.006 0.000 1.343 342 Q CA 1.291 57.123 55.803 0.048 0.000 0.772 342 Q CB -2.826 25.991 28.738 0.131 0.000 1.160 342 Q HN 0.630 nan 8.270 nan 0.000 0.422 343 F N -1.328 118.642 119.950 0.033 0.000 2.440 343 F HA 0.727 5.254 4.527 -0.000 0.000 0.328 343 F C 1.358 177.103 175.800 -0.092 0.000 1.070 343 F CA -0.507 57.485 58.000 -0.014 0.000 1.011 343 F CB 1.854 40.821 39.000 -0.056 0.000 1.226 343 F HN 0.353 nan 8.300 nan 0.000 0.491 344 V N 2.061 122.087 119.914 0.187 0.000 3.319 344 V HA -0.097 4.023 4.120 -0.000 0.000 0.303 344 V C 0.717 176.615 176.094 -0.326 0.000 1.094 344 V CA 0.441 62.610 62.300 -0.218 0.000 1.106 344 V CB 1.425 32.900 31.823 -0.579 0.000 1.099 344 V HN 0.942 nan 8.190 nan 0.000 0.476 345 D N 1.962 122.089 120.400 -0.455 0.000 2.190 345 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 345 D C 1.237 177.477 176.300 -0.099 0.000 0.992 345 D CA 2.412 56.276 54.000 -0.227 0.000 0.854 345 D CB 0.055 40.823 40.800 -0.054 0.000 0.936 345 D HN 0.744 nan 8.370 nan 0.000 0.462 346 W N -1.054 120.287 121.300 0.069 0.000 2.036 346 W HA 0.350 5.010 4.660 -0.000 0.000 0.298 346 W C -0.725 175.799 176.519 0.008 0.000 0.885 346 W CA -0.747 56.621 57.345 0.038 0.000 1.488 346 W CB -0.965 28.527 29.460 0.053 0.000 1.079 346 W HN 0.000 nan 8.180 nan 0.000 0.506 347 C N 3.493 122.902 119.300 0.182 0.000 2.482 347 C HA 0.588 5.048 4.460 -0.000 0.000 0.317 347 C C -0.623 174.267 174.990 -0.167 0.000 1.197 347 C CA -1.959 57.154 59.018 0.159 0.000 1.432 347 C CB 0.930 28.845 27.740 0.293 0.000 2.062 347 C HN 0.021 nan 8.230 nan 0.000 0.471 348 P HA -0.160 nan 4.420 nan 0.000 0.241 348 P C 0.184 177.197 177.300 -0.479 0.000 0.988 348 P CA 2.050 65.014 63.100 -0.225 0.000 1.078 348 P CB -0.212 31.392 31.700 -0.159 0.000 0.690 349 T N -3.198 111.033 114.554 -0.539 0.000 3.954 349 T HA 0.519 4.869 4.350 -0.000 0.000 0.226 349 T C 0.490 174.839 174.700 -0.584 0.000 1.049 349 T CA -0.220 61.331 62.100 -0.914 0.000 1.481 349 T CB 0.070 68.740 68.868 -0.329 0.000 0.853 349 T HN 0.727 nan 8.240 nan 0.000 0.632 350 G N 2.014 110.463 108.800 -0.584 0.000 2.530 350 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.405 350 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.405 350 G C -0.035 174.806 174.900 -0.098 0.000 1.363 350 G CA 0.252 45.192 45.100 -0.267 0.000 0.927 350 G HN 1.164 nan 8.290 nan 0.000 0.525 351 F N -1.544 118.509 119.950 0.171 0.000 2.616 351 F HA -0.137 4.390 4.527 -0.000 0.000 0.399 351 F C 0.787 176.647 175.800 0.099 0.000 1.110 351 F CA 0.836 58.922 58.000 0.143 0.000 1.278 351 F CB -1.263 37.818 39.000 0.135 0.000 1.799 351 F HN 0.476 nan 8.300 nan 0.000 0.784 352 K N 1.349 121.885 120.400 0.227 0.000 2.276 352 K HA 0.593 4.913 4.320 -0.000 0.000 0.285 352 K C -0.163 176.543 176.600 0.176 0.000 1.062 352 K CA -0.590 55.789 56.287 0.154 0.000 0.918 352 K CB 2.082 34.638 32.500 0.095 0.000 1.055 352 K HN 0.121 nan 8.250 nan 0.000 0.477 353 V N 2.307 122.311 119.914 0.150 0.000 2.417 353 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 353 V C 0.219 176.380 176.094 0.112 0.000 1.024 353 V CA -0.686 61.716 62.300 0.170 0.000 0.861 353 V CB 1.787 33.692 31.823 0.137 0.000 0.985 353 V HN 0.927 nan 8.190 nan 0.000 0.436 354 G N 5.902 114.788 108.800 0.144 0.000 2.468 354 G HA2 0.587 4.547 3.960 -0.000 0.000 0.315 354 G HA3 0.587 4.547 3.960 -0.000 0.000 0.315 354 G C -0.680 174.259 174.900 0.065 0.000 1.203 354 G CA -0.382 44.763 45.100 0.074 0.000 0.962 354 G HN 0.462 nan 8.290 nan 0.000 0.476 355 I N 2.138 122.676 120.570 -0.053 0.000 2.331 355 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 355 I C -0.333 175.598 176.117 -0.310 0.000 0.998 355 I CA -0.586 60.601 61.300 -0.188 0.000 1.267 355 I CB 1.408 39.222 38.000 -0.311 0.000 1.386 355 I HN 0.444 nan 8.210 nan 0.000 0.476 356 N N 4.378 122.906 118.700 -0.287 0.000 2.461 356 N HA 0.284 5.024 4.740 -0.000 0.000 0.284 356 N C 0.221 175.550 175.510 -0.300 0.000 1.049 356 N CA -0.460 52.409 53.050 -0.301 0.000 0.889 356 N CB 1.134 39.553 38.487 -0.114 0.000 1.365 356 N HN 0.325 nan 8.380 nan 0.000 0.499 357 Y N 0.742 120.993 120.300 -0.082 0.000 2.497 357 Y HA -0.093 4.457 4.550 -0.000 0.000 0.292 357 Y C 1.073 176.885 175.900 -0.147 0.000 1.137 357 Y CA 0.171 58.216 58.100 -0.092 0.000 1.285 357 Y CB 0.103 38.517 38.460 -0.076 0.000 0.991 357 Y HN 0.540 nan 8.280 nan 0.000 0.556 358 Q N 2.488 122.193 119.800 -0.158 0.000 2.276 358 Q HA 0.113 4.453 4.340 -0.000 0.000 0.267 358 Q C -2.589 173.306 176.000 -0.175 0.000 1.135 358 Q CA -1.925 53.690 55.803 -0.313 0.000 0.910 358 Q CB 0.448 28.646 28.738 -0.898 0.000 1.271 358 Q HN 0.027 nan 8.270 nan 0.000 0.417 359 P HA 0.062 nan 4.420 nan 0.000 0.268 359 P C -2.532 174.753 177.300 -0.024 0.000 1.204 359 P CA -0.970 62.111 63.100 -0.032 0.000 0.768 359 P CB 0.248 31.940 31.700 -0.013 0.000 0.842 360 P HA 0.064 nan 4.420 nan 0.000 0.276 360 P C -0.649 176.676 177.300 0.041 0.000 1.243 360 P CA 0.142 63.269 63.100 0.045 0.000 0.768 360 P CB 0.272 32.023 31.700 0.085 0.000 0.856 361 T N 0.933 115.513 114.554 0.044 0.000 2.902 361 T HA 0.546 4.896 4.350 -0.000 0.000 0.283 361 T C 0.469 175.188 174.700 0.032 0.000 1.009 361 T CA -0.740 61.380 62.100 0.034 0.000 1.051 361 T CB 1.464 70.355 68.868 0.037 0.000 0.999 361 T HN 0.381 nan 8.240 nan 0.000 0.474 362 V N -0.675 119.251 119.914 0.021 0.000 2.960 362 V HA 0.790 4.910 4.120 -0.000 0.000 0.315 362 V C 0.005 176.106 176.094 0.011 0.000 1.087 362 V CA -1.403 60.904 62.300 0.012 0.000 0.982 362 V CB 1.439 33.266 31.823 0.007 0.000 1.039 362 V HN 0.865 nan 8.190 nan 0.000 0.437 363 V N 1.698 121.617 119.914 0.007 0.000 2.585 363 V HA 0.223 4.343 4.120 -0.000 0.000 0.296 363 V C -0.702 175.396 176.094 0.007 0.000 1.035 363 V CA -0.484 61.825 62.300 0.015 0.000 1.084 363 V CB 0.090 31.920 31.823 0.012 0.000 0.953 363 V HN 0.912 nan 8.190 nan 0.000 0.483 364 P HA -0.098 nan 4.420 nan 0.000 0.213 364 P C 1.098 178.396 177.300 -0.004 0.000 1.170 364 P CA 2.014 65.117 63.100 0.005 0.000 0.902 364 P CB 0.133 31.840 31.700 0.011 0.000 0.789 365 G N -0.608 108.189 108.800 -0.005 0.000 3.702 365 G HA2 0.373 4.333 3.960 -0.000 0.000 0.288 365 G HA3 0.373 4.333 3.960 -0.000 0.000 0.288 365 G C 0.839 175.733 174.900 -0.010 0.000 1.193 365 G CA 0.154 45.249 45.100 -0.009 0.000 0.952 365 G HN 0.437 nan 8.290 nan 0.000 0.544 366 G N 0.192 108.986 108.800 -0.010 0.000 2.529 366 G HA2 0.223 4.182 3.960 -0.000 0.000 0.234 366 G HA3 0.223 4.182 3.960 -0.000 0.000 0.234 366 G C 0.474 175.365 174.900 -0.015 0.000 1.527 366 G CA 0.216 45.310 45.100 -0.011 0.000 1.062 366 G HN 0.172 nan 8.290 nan 0.000 0.558 367 D N -1.233 119.158 120.400 -0.016 0.000 2.469 367 D HA 0.112 4.752 4.640 -0.000 0.000 0.240 367 D C 0.708 176.997 176.300 -0.018 0.000 1.087 367 D CA 0.166 54.156 54.000 -0.018 0.000 0.876 367 D CB 0.543 41.333 40.800 -0.016 0.000 1.160 367 D HN 0.144 nan 8.370 nan 0.000 0.497 368 L N 0.490 121.705 121.223 -0.014 0.000 2.400 368 L HA 0.709 5.049 4.340 -0.000 0.000 0.264 368 L C 0.205 177.062 176.870 -0.021 0.000 1.061 368 L CA -1.024 53.812 54.840 -0.006 0.000 0.799 368 L CB 0.887 42.957 42.059 0.018 0.000 1.240 368 L HN -0.231 nan 8.230 nan 0.000 0.461 369 A N -0.097 122.707 122.820 -0.027 0.000 2.322 369 A HA 0.705 5.025 4.320 -0.000 0.000 0.327 369 A C -0.772 176.788 177.584 -0.039 0.000 1.134 369 A CA -0.897 51.104 52.037 -0.061 0.000 0.831 369 A CB 0.744 19.675 19.000 -0.115 0.000 1.288 369 A HN 0.764 nan 8.150 nan 0.000 0.472 370 K N 0.311 120.676 120.400 -0.059 0.000 2.402 370 K HA 0.322 4.642 4.320 -0.000 0.000 0.279 370 K C -0.509 176.074 176.600 -0.028 0.000 1.082 370 K CA 0.054 56.319 56.287 -0.035 0.000 1.080 370 K CB -0.440 32.033 32.500 -0.046 0.000 0.899 370 K HN 0.337 nan 8.250 nan 0.000 0.469 371 V N 2.338 122.253 119.914 0.001 0.000 2.630 371 V HA 0.116 4.236 4.120 -0.000 0.000 0.305 371 V C 1.184 177.282 176.094 0.007 0.000 1.046 371 V CA -0.973 61.328 62.300 0.002 0.000 0.934 371 V CB 1.505 33.333 31.823 0.007 0.000 1.003 371 V HN 0.829 nan 8.190 nan 0.000 0.451 372 Q N 2.741 122.545 119.800 0.007 0.000 2.083 372 Q HA -0.026 4.314 4.340 -0.000 0.000 0.198 372 Q C 0.431 176.442 176.000 0.019 0.000 0.969 372 Q CA 1.157 56.968 55.803 0.014 0.000 0.838 372 Q CB -0.047 28.701 28.738 0.017 0.000 0.900 372 Q HN 0.872 nan 8.270 nan 0.000 0.436 373 R N -0.309 120.199 120.500 0.014 0.000 2.621 373 R HA 0.813 5.152 4.340 -0.000 0.000 0.284 373 R C -1.468 174.819 176.300 -0.022 0.000 0.998 373 R CA -0.546 55.568 56.100 0.022 0.000 0.895 373 R CB 1.879 32.206 30.300 0.046 0.000 1.195 373 R HN 0.013 nan 8.270 nan 0.000 0.450 374 A N 2.200 124.991 122.820 -0.048 0.000 2.498 374 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 374 A C -0.966 176.476 177.584 -0.236 0.000 1.075 374 A CA -0.747 51.172 52.037 -0.197 0.000 0.714 374 A CB 2.164 21.032 19.000 -0.219 0.000 1.299 374 A HN 0.459 nan 8.150 nan 0.000 0.407 375 V N -0.699 118.971 119.914 -0.407 0.000 3.046 375 V HA 0.593 4.713 4.120 -0.000 0.000 0.316 375 V C 0.344 176.206 176.094 -0.386 0.000 1.104 375 V CA -0.415 61.592 62.300 -0.489 0.000 1.006 375 V CB 1.573 33.042 31.823 -0.590 0.000 1.058 375 V HN 1.200 nan 8.190 nan 0.000 0.440 376 C N 1.856 120.977 119.300 -0.299 0.000 4.100 376 C HA 0.439 4.899 4.460 -0.000 0.000 0.393 376 C C 0.756 175.701 174.990 -0.076 0.000 1.619 376 C CA 0.037 58.989 59.018 -0.109 0.000 1.976 376 C CB -0.973 26.780 27.740 0.021 0.000 2.992 376 C HN 1.040 nan 8.230 nan 0.000 0.694 377 M N 1.606 121.137 119.600 -0.115 0.000 4.028 377 M HA -0.187 4.293 4.480 -0.000 0.000 0.157 377 M C -1.661 174.646 176.300 0.012 0.000 1.530 377 M CA 0.983 56.242 55.300 -0.069 0.000 1.091 377 M CB -0.183 32.286 32.600 -0.217 0.000 1.345 377 M HN 0.331 nan 8.290 nan 0.000 0.212 378 L N 6.371 127.649 121.223 0.093 0.000 2.277 378 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 378 L C -0.087 176.896 176.870 0.189 0.000 1.028 378 L CA -0.605 54.333 54.840 0.164 0.000 0.835 378 L CB 1.230 43.437 42.059 0.247 0.000 1.215 378 L HN 0.814 nan 8.230 nan 0.000 0.425 379 S N 1.828 117.638 115.700 0.184 0.000 2.451 379 S HA 0.284 4.754 4.470 -0.000 0.000 0.301 379 S C -0.163 174.539 174.600 0.171 0.000 1.116 379 S CA -0.835 57.503 58.200 0.230 0.000 1.093 379 S CB 1.944 65.367 63.200 0.371 0.000 1.017 379 S HN 0.600 nan 8.310 nan 0.000 0.482 380 N N 2.177 120.988 118.700 0.183 0.000 3.105 380 N HA 0.145 4.885 4.740 -0.000 0.000 0.256 380 N C -0.561 175.006 175.510 0.094 0.000 1.174 380 N CA -0.027 53.124 53.050 0.169 0.000 1.030 380 N CB 0.396 39.010 38.487 0.211 0.000 1.305 380 N HN 0.637 nan 8.380 nan 0.000 0.509 381 T N -0.174 114.345 114.554 -0.058 0.000 2.934 381 T HA 0.119 4.469 4.350 -0.000 0.000 0.283 381 T C 1.595 176.295 174.700 -0.000 0.000 1.005 381 T CA -0.454 61.511 62.100 -0.225 0.000 1.041 381 T CB 1.271 69.722 68.868 -0.695 0.000 1.042 381 T HN 0.425 nan 8.240 nan 0.000 0.505 382 T N 0.783 115.355 114.554 0.030 0.000 3.194 382 T HA 0.285 4.635 4.350 -0.000 0.000 0.251 382 T C 1.543 176.255 174.700 0.020 0.000 1.132 382 T CA 0.338 62.542 62.100 0.173 0.000 1.028 382 T CB -0.195 68.779 68.868 0.178 0.000 0.976 382 T HN 0.591 nan 8.240 nan 0.000 0.535 383 A N 0.773 123.557 122.820 -0.060 0.000 2.275 383 A HA 0.478 4.798 4.320 -0.000 0.000 0.212 383 A C 1.887 179.394 177.584 -0.129 0.000 1.201 383 A CA -0.262 51.751 52.037 -0.040 0.000 0.843 383 A CB -0.501 18.493 19.000 -0.010 0.000 0.873 383 A HN 0.595 nan 8.150 nan 0.000 0.492 384 I N -0.544 119.913 120.570 -0.189 0.000 3.291 384 I HA -0.060 4.109 4.170 -0.000 0.000 0.279 384 I C 1.927 177.794 176.117 -0.416 0.000 1.294 384 I CA 0.840 61.973 61.300 -0.279 0.000 1.428 384 I CB -0.018 37.858 38.000 -0.206 0.000 1.070 384 I HN 0.333 nan 8.210 nan 0.000 0.478 385 A N -0.106 122.484 122.820 -0.382 0.000 2.238 385 A HA -0.098 4.222 4.320 -0.000 0.000 0.208 385 A C 1.911 179.435 177.584 -0.099 0.000 1.177 385 A CA 0.438 52.318 52.037 -0.262 0.000 0.804 385 A CB -0.313 18.472 19.000 -0.358 0.000 0.823 385 A HN 0.475 nan 8.150 nan 0.000 0.482 386 E N 0.142 120.266 120.200 -0.127 0.000 2.077 386 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 386 E C 1.966 178.514 176.600 -0.085 0.000 0.989 386 E CA 1.273 57.635 56.400 -0.065 0.000 0.800 386 E CB -0.146 29.520 29.700 -0.058 0.000 0.746 386 E HN 0.578 nan 8.360 nan 0.000 0.452 387 A N -0.857 121.820 122.820 -0.237 0.000 2.169 387 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 387 A C 1.538 179.022 177.584 -0.167 0.000 1.153 387 A CA 0.065 51.924 52.037 -0.297 0.000 0.756 387 A CB -0.701 17.831 19.000 -0.781 0.000 0.813 387 A HN 0.443 nan 8.150 nan 0.000 0.471 388 W N -0.421 120.796 121.300 -0.139 0.000 2.425 388 W HA -0.027 4.633 4.660 -0.000 0.000 0.277 388 W C 2.468 178.955 176.519 -0.055 0.000 1.231 388 W CA 0.818 58.089 57.345 -0.124 0.000 1.248 388 W CB 0.274 29.589 29.460 -0.241 0.000 1.117 388 W HN 0.425 nan 8.180 nan 0.000 0.568 389 A N 0.093 123.036 122.820 0.204 0.000 1.924 389 A HA -0.009 4.311 4.320 -0.000 0.000 0.211 389 A C 1.787 179.472 177.584 0.169 0.000 1.198 389 A CA 0.523 52.653 52.037 0.155 0.000 0.657 389 A CB -0.570 18.494 19.000 0.105 0.000 0.852 389 A HN 0.136 nan 8.150 nan 0.000 0.454 390 R N -0.877 119.706 120.500 0.138 0.000 2.170 390 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 390 R C 1.778 178.196 176.300 0.196 0.000 1.145 390 R CA 1.267 57.453 56.100 0.144 0.000 0.984 390 R CB -0.458 29.914 30.300 0.121 0.000 0.869 390 R HN 0.453 nan 8.270 nan 0.000 0.455 391 L N 0.883 122.247 121.223 0.234 0.000 1.947 391 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 391 L C 1.396 178.386 176.870 0.200 0.000 1.098 391 L CA 1.891 56.847 54.840 0.193 0.000 0.767 391 L CB -0.664 41.530 42.059 0.225 0.000 0.891 391 L HN 0.031 nan 8.230 nan 0.000 0.436 392 D N -0.889 119.611 120.400 0.167 0.000 3.000 392 D HA -0.360 4.280 4.640 -0.000 0.000 0.196 392 D C 2.118 178.548 176.300 0.216 0.000 1.110 392 D CA 2.121 56.195 54.000 0.122 0.000 0.873 392 D CB -0.649 40.189 40.800 0.063 0.000 0.948 392 D HN 0.526 nan 8.370 nan 0.000 0.496 393 H N 1.049 120.202 119.070 0.138 0.000 2.319 393 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 393 H C 2.087 177.514 175.328 0.165 0.000 1.097 393 H CA 2.105 58.233 56.048 0.134 0.000 1.285 393 H CB 0.106 29.928 29.762 0.099 0.000 1.368 393 H HN 0.111 nan 8.280 nan 0.000 0.495 394 K N -0.180 120.393 120.400 0.288 0.000 2.001 394 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 394 K C 2.241 178.987 176.600 0.243 0.000 1.050 394 K CA 1.811 58.236 56.287 0.230 0.000 0.934 394 K CB -0.625 31.989 32.500 0.190 0.000 0.718 394 K HN 0.165 nan 8.250 nan 0.000 0.443 395 F N 2.211 122.252 119.950 0.151 0.000 2.063 395 F HA -0.372 4.155 4.527 -0.000 0.000 0.298 395 F C 1.739 177.643 175.800 0.174 0.000 1.109 395 F CA 1.848 59.979 58.000 0.218 0.000 1.212 395 F CB -0.190 38.869 39.000 0.098 0.000 0.973 395 F HN 0.097 nan 8.300 nan 0.000 0.480 396 D N 0.501 121.125 120.400 0.374 0.000 2.106 396 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 396 D C 2.114 178.455 176.300 0.068 0.000 0.997 396 D CA 1.903 56.023 54.000 0.200 0.000 0.834 396 D CB -0.660 40.163 40.800 0.038 0.000 0.956 396 D HN 0.472 nan 8.370 nan 0.000 0.448 397 L N -1.204 120.008 121.223 -0.019 0.000 2.551 397 L HA 0.068 4.408 4.340 -0.000 0.000 0.228 397 L C 1.737 178.631 176.870 0.040 0.000 1.153 397 L CA 0.669 55.486 54.840 -0.039 0.000 0.851 397 L CB 0.022 42.015 42.059 -0.111 0.000 0.959 397 L HN -0.012 nan 8.230 nan 0.000 0.451 398 M N -1.862 117.796 119.600 0.096 0.000 2.755 398 M HA -0.028 4.452 4.480 -0.000 0.000 0.247 398 M C 1.994 178.373 176.300 0.131 0.000 1.275 398 M CA 0.801 56.186 55.300 0.143 0.000 1.252 398 M CB -0.341 32.406 32.600 0.245 0.000 1.215 398 M HN 0.203 nan 8.290 nan 0.000 0.527 399 Y N 1.724 121.991 120.300 -0.056 0.000 2.283 399 Y HA -0.259 4.291 4.550 -0.000 0.000 0.285 399 Y C 2.194 178.028 175.900 -0.109 0.000 1.176 399 Y CA 1.562 59.540 58.100 -0.204 0.000 1.229 399 Y CB -0.424 37.765 38.460 -0.452 0.000 0.975 399 Y HN 0.281 nan 8.280 nan 0.000 0.537 400 A N -0.653 122.158 122.820 -0.016 0.000 2.131 400 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 400 A C 1.917 179.427 177.584 -0.124 0.000 1.158 400 A CA 1.905 53.908 52.037 -0.056 0.000 0.665 400 A CB -0.373 18.622 19.000 -0.008 0.000 0.795 400 A HN 0.422 nan 8.150 nan 0.000 0.460 401 K N -2.568 117.749 120.400 -0.137 0.000 2.469 401 K HA 0.239 4.559 4.320 -0.000 0.000 0.204 401 K C 0.511 176.997 176.600 -0.190 0.000 1.047 401 K CA -0.230 55.974 56.287 -0.138 0.000 1.072 401 K CB 0.705 33.152 32.500 -0.088 0.000 0.863 401 K HN 0.139 nan 8.250 nan 0.000 0.530 402 R N -1.440 118.876 120.500 -0.307 0.000 3.997 402 R HA -0.312 4.028 4.340 -0.000 0.000 0.431 402 R C 1.057 177.282 176.300 -0.126 0.000 1.066 402 R CA 1.181 57.079 56.100 -0.337 0.000 1.382 402 R CB -2.558 27.572 30.300 -0.284 0.000 1.978 402 R HN 0.372 nan 8.270 nan 0.000 0.550 403 A N -0.478 122.285 122.820 -0.094 0.000 3.014 403 A HA -0.348 3.972 4.320 -0.000 0.000 0.292 403 A C 1.500 178.944 177.584 -0.234 0.000 2.512 403 A CA 2.611 54.570 52.037 -0.131 0.000 0.986 403 A CB -1.641 17.396 19.000 0.062 0.000 0.692 403 A HN 0.344 nan 8.150 nan 0.000 0.385 404 F N -1.692 118.349 119.950 0.151 0.000 2.678 404 F HA 0.263 4.789 4.527 -0.000 0.000 0.305 404 F C 1.937 177.909 175.800 0.287 0.000 1.090 404 F CA 0.591 58.709 58.000 0.197 0.000 1.272 404 F CB 0.458 39.523 39.000 0.108 0.000 1.060 404 F HN 0.232 nan 8.300 nan 0.000 0.576 405 V N 1.959 122.080 119.914 0.345 0.000 2.277 405 V HA -0.413 3.707 4.120 -0.000 0.000 0.255 405 V C 2.835 179.048 176.094 0.198 0.000 1.074 405 V CA 2.868 65.207 62.300 0.065 0.000 1.058 405 V CB -0.550 31.109 31.823 -0.274 0.000 0.656 405 V HN 0.623 nan 8.190 nan 0.000 0.449 406 H N -3.365 115.775 119.070 0.116 0.000 2.518 406 H HA -0.237 4.319 4.556 -0.000 0.000 0.289 406 H C 2.011 177.356 175.328 0.029 0.000 1.051 406 H CA 1.674 57.716 56.048 -0.009 0.000 1.280 406 H CB -0.736 28.920 29.762 -0.176 0.000 1.380 406 H HN 0.650 nan 8.280 nan 0.000 0.566 407 W N 0.628 121.810 121.300 -0.197 0.000 2.465 407 W HA -0.071 4.589 4.660 -0.000 0.000 0.268 407 W C 1.394 177.950 176.519 0.061 0.000 1.242 407 W CA 0.561 57.871 57.345 -0.059 0.000 1.248 407 W CB -0.094 29.294 29.460 -0.120 0.000 1.118 407 W HN 0.174 nan 8.180 nan 0.000 0.587 408 Y N -1.364 119.121 120.300 0.310 0.000 2.239 408 Y HA -0.092 4.458 4.550 -0.000 0.000 0.293 408 Y C 2.311 178.359 175.900 0.247 0.000 1.126 408 Y CA 0.706 59.015 58.100 0.349 0.000 1.128 408 Y CB -1.219 37.522 38.460 0.467 0.000 1.066 408 Y HN -0.373 nan 8.280 nan 0.000 0.516 409 V N 0.397 120.515 119.914 0.340 0.000 2.511 409 V HA -0.345 3.775 4.120 -0.000 0.000 0.257 409 V C 2.337 178.524 176.094 0.154 0.000 1.088 409 V CA 1.930 64.342 62.300 0.187 0.000 1.098 409 V CB -1.681 30.203 31.823 0.102 0.000 0.674 409 V HN 0.603 nan 8.190 nan 0.000 0.470 410 G N -0.182 108.725 108.800 0.177 0.000 2.524 410 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 410 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 410 G C 1.410 176.396 174.900 0.143 0.000 1.239 410 G CA 0.690 45.873 45.100 0.138 0.000 0.798 410 G HN 0.502 nan 8.290 nan 0.000 0.557 411 E N 0.391 120.701 120.200 0.183 0.000 2.204 411 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 411 E C 1.874 178.561 176.600 0.146 0.000 0.990 411 E CA 1.163 57.663 56.400 0.167 0.000 0.821 411 E CB 0.016 29.822 29.700 0.178 0.000 0.750 411 E HN 0.557 nan 8.360 nan 0.000 0.477 412 G N -0.171 108.712 108.800 0.138 0.000 3.732 412 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 412 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 412 G C 0.225 175.107 174.900 -0.030 0.000 0.903 412 G CA -0.114 45.006 45.100 0.034 0.000 0.896 412 G HN 0.035 nan 8.290 nan 0.000 0.685 413 M N 0.492 120.157 119.600 0.108 0.000 2.012 413 M HA 0.617 5.097 4.480 -0.000 0.000 0.248 413 M C 0.119 176.493 176.300 0.123 0.000 1.238 413 M CA -0.113 55.263 55.300 0.127 0.000 0.980 413 M CB 0.878 33.741 32.600 0.438 0.000 1.346 413 M HN 0.056 nan 8.290 nan 0.000 0.511 414 E N 0.378 120.674 120.200 0.161 0.000 2.133 414 E HA 0.081 4.431 4.350 -0.000 0.000 0.274 414 E C 0.267 176.978 176.600 0.185 0.000 0.930 414 E CA -0.155 56.323 56.400 0.131 0.000 0.770 414 E CB 0.995 30.749 29.700 0.091 0.000 1.104 414 E HN 0.519 nan 8.360 nan 0.000 0.403 415 E N 2.705 122.971 120.200 0.110 0.000 2.200 415 E HA -0.276 4.074 4.350 -0.000 0.000 0.211 415 E C 1.409 178.112 176.600 0.172 0.000 1.048 415 E CA 1.806 58.257 56.400 0.085 0.000 0.851 415 E CB -0.015 29.707 29.700 0.037 0.000 0.747 415 E HN 0.779 nan 8.360 nan 0.000 0.462 416 G N 0.176 109.058 108.800 0.137 0.000 2.572 416 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 416 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 416 G C 1.323 176.294 174.900 0.118 0.000 1.133 416 G CA 0.370 45.541 45.100 0.118 0.000 0.791 416 G HN 0.273 nan 8.290 nan 0.000 0.538 417 E N -0.695 119.604 120.200 0.165 0.000 2.274 417 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 417 E C 1.663 178.307 176.600 0.074 0.000 0.996 417 E CA 0.100 56.582 56.400 0.137 0.000 0.840 417 E CB -0.072 29.733 29.700 0.176 0.000 0.772 417 E HN 0.424 nan 8.360 nan 0.000 0.491 418 F N 0.628 120.521 119.950 -0.094 0.000 2.060 418 F HA -0.166 4.361 4.527 -0.000 0.000 0.295 418 F C 2.768 178.369 175.800 -0.333 0.000 1.120 418 F CA 1.198 59.050 58.000 -0.247 0.000 1.205 418 F CB -0.822 37.937 39.000 -0.401 0.000 0.986 418 F HN -0.053 nan 8.300 nan 0.000 0.470 419 S N -0.382 115.256 115.700 -0.103 0.000 2.390 419 S HA -0.338 4.132 4.470 -0.000 0.000 0.234 419 S C 2.127 176.633 174.600 -0.155 0.000 1.063 419 S CA 1.939 60.070 58.200 -0.114 0.000 1.108 419 S CB -0.509 62.698 63.200 0.012 0.000 0.975 419 S HN 0.424 nan 8.310 nan 0.000 0.442 420 E N -0.023 120.096 120.200 -0.135 0.000 2.204 420 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 420 E C 2.049 178.377 176.600 -0.454 0.000 0.989 420 E CA 0.902 57.185 56.400 -0.193 0.000 0.824 420 E CB -0.126 29.534 29.700 -0.066 0.000 0.756 420 E HN 0.522 nan 8.360 nan 0.000 0.477 421 A N 0.880 123.407 122.820 -0.487 0.000 1.903 421 A HA -0.074 4.246 4.320 -0.000 0.000 0.213 421 A C 2.102 179.290 177.584 -0.660 0.000 1.185 421 A CA 0.930 52.525 52.037 -0.737 0.000 0.628 421 A CB -0.255 18.460 19.000 -0.475 0.000 0.830 421 A HN 0.032 nan 8.150 nan 0.000 0.446 422 R N 0.736 120.874 120.500 -0.604 0.000 2.105 422 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 422 R C 1.839 177.904 176.300 -0.392 0.000 1.135 422 R CA 1.846 57.594 56.100 -0.585 0.000 0.967 422 R CB -0.604 29.452 30.300 -0.405 0.000 0.861 422 R HN 0.591 nan 8.270 nan 0.000 0.442 423 E N 0.373 120.374 120.200 -0.331 0.000 2.114 423 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 423 E C 1.517 177.943 176.600 -0.291 0.000 1.008 423 E CA 1.706 57.950 56.400 -0.261 0.000 0.810 423 E CB -0.303 29.261 29.700 -0.226 0.000 0.739 423 E HN 0.412 nan 8.360 nan 0.000 0.456 424 D N -0.235 119.918 120.400 -0.412 0.000 2.123 424 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 424 D C 1.985 178.090 176.300 -0.325 0.000 0.976 424 D CA 0.740 54.521 54.000 -0.365 0.000 0.831 424 D CB 0.034 40.562 40.800 -0.453 0.000 0.974 424 D HN 0.025 nan 8.370 nan 0.000 0.469 425 M N 0.525 119.892 119.600 -0.388 0.000 2.086 425 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 425 M C 2.401 178.542 176.300 -0.266 0.000 1.067 425 M CA 1.097 56.166 55.300 -0.385 0.000 1.116 425 M CB -1.356 30.996 32.600 -0.413 0.000 1.348 425 M HN 0.002 nan 8.290 nan 0.000 0.407 426 A N 0.642 123.327 122.820 -0.226 0.000 1.884 426 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 426 A C 2.448 179.956 177.584 -0.127 0.000 1.197 426 A CA 2.912 54.861 52.037 -0.147 0.000 0.637 426 A CB -1.144 17.778 19.000 -0.130 0.000 0.827 426 A HN 0.533 nan 8.150 nan 0.000 0.450 427 A N -1.098 121.634 122.820 -0.148 0.000 1.969 427 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 427 A C 2.165 179.675 177.584 -0.123 0.000 1.169 427 A CA 1.566 53.529 52.037 -0.123 0.000 0.635 427 A CB -0.539 18.386 19.000 -0.125 0.000 0.810 427 A HN 0.731 nan 8.150 nan 0.000 0.445 428 L N -0.103 121.024 121.223 -0.161 0.000 1.973 428 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 428 L C 2.176 179.026 176.870 -0.033 0.000 1.073 428 L CA 2.301 57.054 54.840 -0.145 0.000 0.746 428 L CB -0.649 41.245 42.059 -0.274 0.000 0.891 428 L HN 0.455 nan 8.230 nan 0.000 0.433 429 E N -0.257 119.905 120.200 -0.063 0.000 2.279 429 E HA -0.356 3.993 4.350 -0.000 0.000 0.205 429 E C 2.071 178.701 176.600 0.050 0.000 1.028 429 E CA 1.801 58.213 56.400 0.019 0.000 0.830 429 E CB -0.157 29.529 29.700 -0.023 0.000 0.736 429 E HN 0.498 nan 8.360 nan 0.000 0.478 430 K N 0.493 120.892 120.400 -0.002 0.000 2.044 430 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 430 K C 1.626 178.216 176.600 -0.017 0.000 1.049 430 K CA 1.238 57.517 56.287 -0.013 0.000 0.945 430 K CB 0.181 32.654 32.500 -0.044 0.000 0.724 430 K HN 0.000 nan 8.250 nan 0.000 0.440 431 D N 0.124 120.490 120.400 -0.056 0.000 2.104 431 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 431 D C 1.893 178.137 176.300 -0.095 0.000 0.994 431 D CA 1.431 55.352 54.000 -0.131 0.000 0.830 431 D CB -0.438 40.227 40.800 -0.224 0.000 0.959 431 D HN 0.306 nan 8.370 nan 0.000 0.452 432 Y N 1.311 121.591 120.300 -0.033 0.000 2.274 432 Y HA -0.123 4.427 4.550 -0.000 0.000 0.290 432 Y C 2.564 178.470 175.900 0.010 0.000 1.145 432 Y CA 0.960 59.068 58.100 0.013 0.000 1.203 432 Y CB 0.194 38.679 38.460 0.041 0.000 0.984 432 Y HN -0.031 nan 8.280 nan 0.000 0.533 433 E N 0.071 120.359 120.200 0.147 0.000 2.158 433 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 433 E C 1.388 178.016 176.600 0.047 0.000 0.982 433 E CA 0.643 57.088 56.400 0.076 0.000 0.823 433 E CB -0.001 29.724 29.700 0.042 0.000 0.766 433 E HN 0.571 nan 8.360 nan 0.000 0.468 434 E N 0.399 120.612 120.200 0.021 0.000 2.526 434 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 434 E C 1.229 177.846 176.600 0.028 0.000 1.091 434 E CA 0.013 56.414 56.400 0.001 0.000 0.880 434 E CB 0.439 30.111 29.700 -0.046 0.000 0.873 434 E HN 0.058 nan 8.360 nan 0.000 0.527 435 V N -0.319 119.632 119.914 0.063 0.000 3.660 435 V HA 0.100 4.220 4.120 -0.000 0.000 0.276 435 V C 1.131 177.297 176.094 0.121 0.000 1.317 435 V CA 0.333 62.720 62.300 0.146 0.000 1.097 435 V CB 0.706 32.631 31.823 0.170 0.000 0.863 435 V HN 0.130 nan 8.190 nan 0.000 0.438 436 G N 0.266 109.108 108.800 0.069 0.000 2.378 436 G HA2 0.524 4.484 3.960 -0.000 0.000 0.255 436 G HA3 0.524 4.484 3.960 -0.000 0.000 0.255 436 G C 0.318 175.243 174.900 0.042 0.000 1.270 436 G CA 0.622 45.743 45.100 0.034 0.000 0.876 436 G HN 0.875 nan 8.290 nan 0.000 0.521 437 V N 0.871 120.796 119.914 0.019 0.000 0.692 437 V HA 0.179 4.299 4.120 -0.000 0.000 0.092 437 V C 0.776 176.916 176.094 0.076 0.000 0.767 437 V CA 2.611 64.930 62.300 0.032 0.000 3.096 437 V CB -1.232 30.606 31.823 0.024 0.000 0.182 437 V HN 2.723 nan 8.190 nan 0.000 0.059 438 D N 0.000 120.440 120.400 0.066 0.000 6.856 438 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 438 D CA 0.000 54.045 54.000 0.076 0.000 0.868 438 D CB 0.000 40.871 40.800 0.119 0.000 0.688 438 D HN 0.000 nan 8.370 nan 0.000 0.683